#DEFINITION	Reference Metabolome for Prunus spinosa
#IDENTTFIER	RefMeta-Prunus spinosa.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Prunus spinosa
#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 Prunus spinosa was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5975
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04981	8.3
71.63059	2.2
73.02905	3.3
77.03889	1.4
79.05477	84.4
80.05832	1.3
80.66451	1.3
81.03410	16.0
81.07037	100.0
82.07354	2.1
83.04971	11.1
83.08605	22.2
85.02895	16.1
85.06511	5.2
86.09694	12.4
91.03920	5.7
91.05461	97.1
92.05785	1.5
93.07022	96.3
95.04944	22.8
95.08585	64.8
97.02881	11.9
97.06503	14.1
97.10153	12.6
98.98447	2.9
99.04424	2.0
99.08062	4.6
103.05453	4.6
105.04488	2.4
105.07006	91.5
106.07305	2.1
107.04947	9.2
107.07845	2.8
107.08570	56.2
108.08894	1.4
108.64497	1.3
109.02867	3.2
109.06520	10.3
109.10131	27.4
111.04427	2.1
111.08063	7.5
113.09601	1.8
115.05424	5.6
116.06156	1.5
117.06995	38.6
119.08553	78.3
121.06503	7.4
121.09293	2.7
121.10121	37.5
121.11012	1.9
123.08021	6.8
123.11665	9.0
124.99981	8.5
125.09653	7.1
127.03874	5.3
128.06198	6.4
129.05482	3.1
129.06976	26.0
130.07745	3.8
131.04826	1.7
131.08540	52.9
131.09505	3.1
133.06474	3.0
133.09082	3.1
133.10103	64.0
134.10400	1.9
135.08012	7.7
135.11658	26.7
137.04524	2.1
137.09573	3.6
137.13243	2.2
139.11201	1.8
141.06982	6.4
142.07762	5.9
143.08531	25.2
145.04930	3.8
145.06459	2.4
145.10091	38.7
147.08051	3.4
147.11661	46.2
149.09598	12.3
149.13208	17.8
151.11172	3.4
153.06958	3.0
154.07788	1.5
155.08508	14.0
156.09241	2.4
157.10103	26.8
159.08057	4.3
159.11667	37.5
161.09607	4.5
161.13217	21.0
163.06001	3.1
163.11154	9.2
163.14758	2.4
165.12726	2.5
167.08487	6.8
168.09309	1.6
169.10081	17.9
171.11642	25.3
173.04416	4.0
173.09578	2.9
173.11754	2.4
173.13210	18.5
175.11153	3.7
175.14781	7.4
177.12730	5.9
179.08479	2.3
179.14223	2.5
180.09232	1.7
181.10074	8.6
182.10938	2.0
183.11656	15.2
184.07301	38.2
184.08937	2.0
185.07686	4.1
185.09471	2.0
185.13196	17.2
187.11215	2.3
187.14796	7.1
189.11171	2.7
189.12683	2.1
189.16368	2.1
191.14281	2.9
193.10051	5.6
195.11647	9.5
195.13531	2.6
197.13206	13.3
199.11087	3.8
199.14780	11.5
201.12697	2.7
201.16318	4.0
203.17889	1.4
207.11618	4.4
209.13245	7.8
211.14804	6.6
213.12831	2.8
213.16368	5.5
215.14171	1.6
215.17882	1.6
217.19307	2.0
219.11691	2.5
221.13165	4.0
223.14809	7.8
225.16357	3.0
227.12732	3.5
229.14290	4.0
229.19368	1.8
231.21014	3.5
235.14890	2.0
237.16357	4.2
239.17889	3.7
241.15729	1.6
241.19473	16.9
243.21024	2.3
245.18959	2.2
247.14946	1.8
251.17953	2.5
253.14243	1.8
255.15776	10.9
257.18924	8.6
259.20535	45.3
261.22205	2.2
263.17792	1.5
267.15857	4.6
269.17303	15.9
271.20886	2.1
273.18472	2.8
275.20010	24.9
277.21585	2.5
283.20435	1.4
289.21494	1.9
293.21185	3.1
295.20416	2.0
297.21973	2.4
311.23724	1.7
315.23294	6.5
315.26413	1.5
323.23404	3.0
325.21585	2.5
325.25262	1.8
331.22772	2.4
333.24210	50.3
334.24188	1.5
335.25967	6.5
339.23047	1.9
343.22787	1.9
349.23843	20.3
365.23660	2.6
365.28192	3.1
367.24899	4.5
375.63834	1.6
385.23511	1.7
403.29779	1.5
417.31250	3.6
421.30728	4.4
427.59702	1.7
435.32553	6.3
441.26401	2.2
453.33652	6.6
471.34515	2.8
475.68188	1.4
487.34024	2.5
489.35446	3.1
497.37091	1.6
501.35641	2.0
509.35849	5.1
513.35675	32.8
514.35907	1.7
515.38098	8.3
525.35730	2.4
527.37213	63.3
528.37396	3.4
531.36780	7.7
533.39685	4.8
537.35449	1.6
543.36432	3.9
544.37262	1.7
545.38361	13.5
551.40497	2.8
567.39911	2.0
569.38049	2.0
589.42322	3.7
607.43439	53.9
608.43567	3.9
623.42456	2.3
625.44476	60.9
626.44891	4.2
635.38776	2.9
643.44965	2.4
653.40167	3.7
671.40845	5.4
689.41998	6.6
733.46204	3.9
769.48737	6.3
787.49615	2.3
864.48669	2.8
1002.51550	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	1002.5978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	5.4
71.08617	1.0
73.02922	4.8
77.03875	1.6
79.05478	87.4
80.05794	1.5
81.03403	17.0
81.07043	100.0
82.07360	2.5
83.04964	12.3
83.08134	1.1
83.08603	18.7
85.02415	1.5
85.02891	24.6
85.06530	5.1
86.09696	9.4
87.04442	1.5
91.03945	10.7
91.05463	100.0
92.05770	2.0
93.07026	93.6
94.07376	0.9
95.04952	19.9
95.08590	69.2
96.08932	1.0
97.02877	15.5
97.06513	14.4
97.10133	9.0
98.98441	1.5
99.04462	4.8
99.08060	5.1
99.30595	0.8
101.02338	0.9
103.03915	1.1
103.05468	4.4
105.04489	2.6
105.07012	88.1
106.07336	1.3
107.04920	6.9
107.08579	52.3
109.02850	2.6
109.06510	7.4
109.10136	31.3
111.04412	2.5
111.08057	7.2
111.11672	1.8
113.09593	1.0
115.03899	1.3
115.05427	7.0
116.06264	1.9
117.06998	46.3
119.08559	71.1
120.08892	1.1
121.06432	5.1
121.10122	38.2
123.04400	2.1
123.08035	7.3
123.11667	9.0
124.99983	6.7
125.09624	5.7
127.03887	11.0
127.07554	1.4
128.06178	8.6
129.05424	3.8
129.06982	33.4
129.09094	1.3
130.07732	3.8
131.08545	56.0
133.06448	4.0
133.10110	55.5
135.08051	6.1
135.11671	21.3
137.05989	1.1
137.09596	4.2
137.13217	2.6
139.11183	1.8
139.75441	0.9
141.06953	9.3
142.07762	7.4
143.08536	31.4
144.09312	2.1
145.04980	7.1
145.06412	3.6
145.10098	52.9
146.10493	1.2
147.08064	4.5
147.10472	1.9
147.11656	40.0
149.09607	8.9
149.13237	17.3
151.11139	3.8
153.06898	2.5
153.09056	1.5
153.12750	1.1
154.07707	1.2
155.08525	20.6
156.09258	2.5
157.06441	1.9
157.10107	32.2
159.07985	3.5
159.11671	34.1
161.09601	3.6
161.13226	20.3
163.06032	6.1
163.07304	1.3
163.11143	5.5
163.14748	3.7
165.07007	3.0
165.12744	1.9
166.07643	1.8
167.08479	8.2
167.14230	1.2
168.09294	3.1
169.10107	23.5
170.10800	1.8
171.07944	1.5
171.11646	27.9
172.12047	1.6
173.04411	3.9
173.09569	3.2
173.11787	1.7
173.13222	21.7
175.06021	1.1
175.11183	4.0
175.14799	8.9
177.12720	4.4
177.16338	1.3
179.08542	4.1
179.14308	2.4
180.09256	1.6
181.08627	1.4
181.10081	13.6
182.10938	2.3
183.11670	22.0
184.07307	28.9
184.08960	1.4
185.09756	1.7
185.11601	1.4
185.13245	20.3
187.11147	2.4
187.14801	10.3
189.11188	1.8
189.12709	3.2
189.16354	3.9
191.10620	1.0
191.14232	1.7
192.09444	1.0
193.10112	5.8
193.11984	1.4
194.10802	1.0
195.11647	12.2
195.13724	4.1
196.12292	1.5
197.13220	14.5
199.11278	1.7
199.13133	1.5
199.14778	12.5
201.12706	2.4
201.16364	4.6
203.14342	1.6
203.17828	1.1
205.10098	1.5
207.11621	3.6
209.13181	10.2
210.13780	1.2
211.14807	9.6
213.12914	1.3
213.14658	1.8
213.16438	6.0
215.14322	1.4
215.17896	4.0
217.10088	1.1
217.15877	1.6
217.19485	1.6
219.13876	1.1
219.17357	1.3
221.13327	6.6
222.14043	1.0
223.12971	1.1
223.14857	6.6
223.16753	1.4
225.12903	1.3
225.16371	6.0
226.41492	1.1
227.12553	4.2
227.16217	2.0
227.17940	3.2
229.14131	5.1
229.19411	2.7
231.20979	3.1
233.13226	1.5
233.15399	1.2
235.14778	3.2
235.16823	1.3
237.16400	6.5
239.18059	6.5
241.19562	15.2
243.12204	1.7
243.20979	1.2
245.18983	1.1
247.14883	1.5
247.20480	1.9
249.16275	2.6
251.17897	2.6
253.19780	1.7
257.18982	7.5
259.20544	31.9
260.20828	1.7
261.22046	3.7
263.17847	1.8
265.19455	1.9
267.15872	3.3
269.17368	14.7
271.16940	1.5
271.20450	2.7
273.18390	3.6
273.21701	1.1
275.17749	1.3
275.20160	12.8
277.21600	2.9
283.20490	1.6
285.18579	1.0
285.21878	1.7
287.19974	1.6
291.19894	1.2
295.20297	1.4
297.18665	1.3
297.22012	2.8
299.19983	2.1
299.23526	1.2
301.21637	3.2
301.25122	1.4
309.21967	2.4
311.23480	3.9
313.21552	3.0
315.23193	4.8
317.24686	1.9
321.22107	3.6
323.23663	3.5
325.21469	2.3
325.25162	1.9
327.23062	2.0
329.24661	1.6
331.22571	3.3
333.24240	35.4
334.24359	1.7
335.25940	9.9
337.21426	1.2
337.25031	1.9
339.23145	1.7
339.26764	1.8
341.24634	2.5
349.23764	8.4
351.25830	3.1
353.24689	1.9
365.23831	1.8
365.28207	1.6
367.22397	1.7
367.26358	1.3
377.28522	1.4
379.30176	1.4
385.23749	2.0
387.25528	1.4
389.27737	1.3
391.29547	1.9
393.27689	1.5
403.29724	1.6
405.27109	1.0
409.30792	1.3
417.31583	2.0
419.28650	1.0
421.30606	2.4
433.30450	2.1
435.32483	7.3
437.34573	1.2
441.26089	1.0
445.30164	1.0
447.32104	1.9
453.33859	4.8
459.31210	1.4
469.33023	1.0
470.55368	1.0
471.34326	3.3
473.33087	2.4
475.34888	1.2
477.33832	1.1
483.34735	1.5
485.32339	1.9
487.34213	4.5
489.35336	2.5
495.34753	1.5
499.39548	1.3
501.36121	4.2
509.36014	2.6
513.35480	11.6
515.37976	5.2
517.40283	7.8
521.36298	1.1
525.35376	2.2
527.37280	35.4
528.37659	2.0
529.38550	1.8
533.39465	2.1
535.41168	3.2
539.37079	4.0
541.38660	1.2
543.36395	2.0
545.38489	5.1
551.40424	1.5
567.40411	2.3
591.44147	8.4
597.44574	1.5
607.43567	18.4
609.45026	87.5
610.45392	7.8
613.36487	1.2
625.44556	18.2
635.39117	1.8
643.44788	1.6
651.45673	1.4
653.39771	1.2
689.42169	1.4
693.46912	1.5
699.45978	1.9
717.47314	1.7
735.47552	1.3
753.49048	1.7
769.47284	1.8
771.50476	6.2
787.49353	1.1
1002.52026	3.2
1003.52319	1.1
1026.16382	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5825
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	3.8
71.08607	1.1
71.62972	1.7
77.03918	1.1
77.88833	0.8
79.05480	45.4
81.03410	12.0
81.07045	73.7
83.04969	10.2
83.08608	10.0
85.02891	3.5
85.06519	4.0
91.05468	71.4
92.05779	0.9
93.07030	49.2
95.01320	8.8
95.04957	15.5
95.08595	43.9
95.09117	0.8
95.09217	1.6
96.08958	0.9
97.02871	3.5
97.06517	27.0
97.10147	3.5
99.04417	1.0
99.08059	2.4
103.05432	2.8
105.04516	2.0
105.07015	91.5
106.07333	1.2
107.04940	21.7
107.08578	28.5
108.05287	0.9
108.46852	0.9
109.06499	6.6
109.10134	12.1
110.57774	0.9
111.04380	1.5
111.08064	4.3
113.09639	1.8
115.05426	2.3
116.06229	1.2
117.07000	24.0
119.04887	1.4
119.08567	49.0
121.06470	4.3
121.10114	15.7
123.04417	2.3
123.08066	6.5
123.11694	1.6
123.51045	0.9
124.99982	0.9
125.09605	2.8
127.03876	2.6
127.07491	0.9
128.06152	1.5
129.05505	1.3
129.06978	7.7
130.07782	1.7
131.08553	32.1
133.06453	2.1
133.10115	57.0
134.10440	1.1
135.08037	5.5
135.11667	11.9
137.09570	3.0
139.03885	1.6
139.07489	1.0
141.06949	2.7
142.07784	1.0
143.08534	7.7
145.06435	2.5
145.10101	26.9
147.11671	24.5
149.09604	11.6
149.13219	9.9
151.11176	2.5
155.08507	3.4
156.09265	1.3
157.10106	7.4
159.08054	2.8
159.11674	19.0
161.09622	1.9
161.13234	11.4
163.03769	1.2
163.11179	6.6
163.14815	1.6
165.09081	2.7
169.10071	2.4
171.11646	6.7
173.09492	0.9
173.13199	6.9
175.11148	2.9
175.14786	3.7
177.12697	6.1
179.14290	15.6
182.10973	0.8
183.11646	3.5
184.07297	2.0
185.13217	4.2
185.52919	0.9
187.11157	3.6
187.14774	2.0
189.12756	1.4
195.13771	3.5
197.13214	2.8
199.14806	2.2
201.16281	1.3
205.12206	1.7
205.15939	1.2
211.14862	1.3
213.16400	1.4
215.14301	1.0
215.17894	1.7
217.19507	1.1
227.12674	2.2
229.19580	2.8
233.92935	0.9
239.17918	3.4
241.14256	1.3
241.19495	6.4
243.12317	0.9
247.16991	1.5
247.20561	3.6
251.16391	2.8
253.18062	1.1
257.18958	12.1
259.20535	13.1
269.14816	1.5
269.17462	17.2
275.20026	100.0
276.20316	2.1
277.21771	1.4
279.16116	1.9
289.17957	1.2
291.19449	1.6
293.17972	1.3
293.21017	8.4
315.23093	4.9
326.97168	1.0
331.22565	3.4
333.24170	26.2
335.25635	3.0
339.17957	1.4
349.23685	68.1
350.24039	2.1
413.21552	0.9
419.23636	1.1
445.30026	0.9
503.33133	1.5
513.35297	1.7
527.37061	1.8
529.35162	1.8
543.36749	70.1
544.36981	2.4
555.36627	1.5
567.36774	1.8
605.41376	1.0
607.43451	66.5
608.43347	1.8
623.42987	24.5
625.44739	11.9
641.43689	4.5
647.37341	1.2
687.41156	2.1
698.58881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0875
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
63.55828	0.4
63.82288	0.4
64.80496	0.4
69.46676	4.2
93.03468	27.3
94.03796	0.7
96.99326	5.9
108.10397	0.5
117.03479	2.2
119.05037	21.2
120.05371	1.0
121.02981	0.4
123.04549	2.1
130.04254	1.4
131.05070	5.2
133.02966	5.4
137.02441	0.5
143.05043	20.4
144.05391	1.3
145.02975	4.0
145.06575	0.6
159.04582	1.0
163.04021	12.1
171.04526	2.2
184.47087	0.5
194.07140	0.5
210.06792	0.5
211.07690	7.2
219.08051	1.0
221.09729	1.2
222.06841	0.8
223.07632	1.4
235.07639	4.0
237.09212	6.9
238.09589	0.6
247.07602	0.8
263.07062	0.9
264.08041	0.6
265.08676	20.4
266.09036	1.8
281.08148	0.6
283.09720	1.0
309.07693	6.2
310.07910	0.7
327.08734	100.0
328.09061	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	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22986	0.4
59.01382	6.2
59.11491	0.4
65.64613	0.4
69.63470	0.9
69.63868	2.4
71.01386	3.8
72.99312	0.7
73.02940	1.0
75.00878	1.4
76.52381	0.4
79.19113	0.4
85.02956	0.8
87.00879	19.3
88.01222	0.4
89.02466	1.6
93.03465	3.0
99.00891	3.1
101.02452	2.5
105.01949	21.8
107.05038	1.1
113.02451	0.8
115.17274	0.4
117.01962	0.6
117.03476	0.6
119.03550	0.8
119.05045	2.7
120.05404	0.4
121.05795	0.4
121.06570	1.8
122.83295	0.4
133.03006	0.6
134.03781	3.2
135.04538	38.8
136.04866	2.1
137.02470	1.7
145.02969	1.7
147.03014	3.8
147.04526	7.0
161.02469	0.7
163.04039	2.0
164.04489	0.4
165.04051	100.0
165.05560	28.3
166.04401	3.2
166.05919	2.1
179.03506	25.7
179.05159	0.7
180.03854	1.2
248.56097	0.4
265.08786	0.5
327.07623	2.7
328.07742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0872
Annotation	2-(4-Hydroxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
57.01567	0.5
59.01365	0.7
69.26489	0.7
69.26648	1.1
69.27074	4.5
71.01376	0.6
83.37775	0.5
93.03462	22.9
96.99301	3.9
106.04228	1.4
108.02205	0.5
117.03477	1.3
119.05035	61.9
120.05408	2.5
121.02946	0.7
123.04532	1.8
130.04269	0.8
131.05051	4.3
132.05771	1.7
133.02971	4.5
133.06558	0.5
134.42044	0.5
137.02406	0.6
143.05038	14.9
144.05356	0.6
145.02957	3.0
145.06560	1.3
159.04480	0.6
163.04013	49.3
164.04362	2.7
171.04501	2.2
210.06731	0.6
211.07619	4.8
212.08038	0.7
215.64503	0.6
221.09721	1.3
223.07582	1.0
235.07707	2.7
237.09203	6.0
239.10724	2.4
247.07480	0.8
263.07040	0.7
265.08673	14.3
266.08936	1.7
283.09750	13.9
284.10147	1.7
309.07703	3.8
327.08707	100.0
328.09061	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	326.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49699	0.4
52.72628	0.3
57.03437	0.4
58.00587	0.5
58.81432	0.3
59.01374	1.7
59.10059	0.3
70.85346	0.9
70.85690	0.4
71.01386	7.3
71.15673	0.4
72.00910	10.6
73.02951	11.7
74.02472	1.5
77.24876	0.4
80.02688	2.3
81.03486	1.1
83.05029	4.1
84.02167	0.9
85.01704	0.4
85.02971	0.6
86.02480	0.5
88.04060	0.4
95.05035	0.8
98.03746	0.6
101.02502	0.4
102.05611	1.2
106.63650	0.4
134.67831	0.4
193.98703	0.4
195.17543	0.5
197.19141	1.0
211.71976	0.3
221.19113	17.0
222.19398	1.4
223.20670	69.7
224.20999	7.2
225.22223	11.2
226.22563	1.0
233.19064	0.4
235.20689	5.0
236.20995	0.6
239.20158	0.7
251.20192	5.0
252.20697	0.5
253.21712	100.0
254.22054	11.7
264.23233	2.0
265.21658	0.8
267.10837	0.4
282.24377	15.6
282.27499	0.8
283.24710	1.4
291.19833	0.5
297.20764	0.7
309.20712	0.6
326.07446	1.9
326.23383	3.9
327.21637	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	327.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09484	0.5
59.01375	14.9
59.24268	0.6
69.79234	3.4
71.01388	5.3
73.02957	1.4
75.00882	1.7
78.95885	0.8
85.02985	0.9
87.00886	18.3
89.02451	3.6
91.05536	0.7
93.03471	6.0
94.03831	0.5
95.76656	0.6
99.00898	2.7
101.02457	4.1
105.01949	22.0
107.05046	1.0
113.02476	1.6
117.01934	0.9
117.03461	0.8
119.03505	1.7
119.05040	7.0
120.05334	1.6
121.02947	0.9
121.05770	0.9
121.06577	3.6
121.22251	0.5
123.04527	0.6
129.03471	0.6
133.03014	0.6
134.03726	3.4
135.04543	34.1
136.04881	1.3
137.02470	2.1
143.05031	1.6
145.02969	4.6
147.03021	4.0
147.04536	18.0
161.02455	1.0
161.04562	0.6
163.04013	5.1
164.04414	1.2
165.04068	100.0
165.05576	71.3
166.04414	3.0
166.05920	4.6
171.87552	0.5
177.01930	0.9
179.03517	24.1
180.03831	1.3
265.08585	1.5
289.07269	0.9
309.08099	0.7
327.07922	4.2
327.11325	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03446	3.4
58.00581	8.9
59.01377	40.2
59.47143	2.0
61.98822	3.2
65.00317	10.5
69.03450	8.0
69.57764	10.9
69.58179	4.8
71.01374	8.2
78.38395	2.1
81.03459	3.1
83.01395	4.0
83.05020	7.6
84.02153	2.6
95.05040	4.0
96.81139	1.9
97.02951	8.4
97.06595	3.8
98.19880	4.1
98.91364	1.9
99.08146	3.0
101.02454	3.5
107.01402	16.0
109.06583	4.7
111.04538	4.1
111.08173	11.5
112.53964	1.8
115.07642	2.1
115.80855	1.9
119.05022	2.8
121.06603	3.8
125.09700	2.1
127.07714	9.5
134.04779	2.8
135.08179	2.7
148.33331	1.8
149.09746	12.6
150.99167	3.6
151.00385	68.9
151.11308	3.4
152.00792	2.6
153.09283	3.2
157.08714	16.6
161.04526	2.3
163.04056	2.6
163.11314	3.2
165.12843	2.9
169.12335	3.8
171.10251	13.1
178.99915	2.7
183.10208	2.6
193.08713	2.4
193.12251	2.1
195.10277	34.2
196.10664	4.3
197.00911	2.3
197.11845	29.1
209.11848	32.2
211.13316	2.4
215.12920	5.6
227.12941	5.9
238.27873	2.0
245.19069	2.1
265.12933	2.6
281.21286	2.2
289.18161	10.5
297.06287	7.6
307.19171	21.8
308.19489	2.8
313.80563	1.9
325.06906	10.4
325.11212	4.4
325.16736	3.6
325.20203	100.0
325.30765	2.9
326.20480	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	326.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55521	0.5
59.01376	7.8
60.01696	0.6
61.98830	100.0
70.24678	1.5
71.01386	1.2
73.02965	1.3
73.80998	0.5
75.00893	1.6
85.02971	0.5
87.00905	1.3
89.02482	0.7
93.03508	0.8
101.02450	0.8
105.01947	1.1
119.05030	4.5
120.05388	3.4
134.04744	23.1
135.04556	1.8
137.02498	1.2
149.02437	3.0
150.03275	2.8
154.06726	0.6
163.03978	2.6
164.04424	3.1
165.04106	4.4
165.05629	3.9
179.03555	0.7
227.03203	0.6
266.09006	1.1
267.10773	0.7
308.76056	0.6
313.74661	0.5
326.11459	0.9
327.09372	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	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	12.2
59.01381	50.3
61.98827	7.3
65.00324	7.1
69.03450	9.1
71.01381	11.8
71.05045	3.5
71.06361	7.2
72.00922	3.8
73.02953	14.9
80.02686	5.4
81.03451	7.8
83.01395	18.6
83.05027	11.0
85.02970	4.1
95.05032	7.7
97.02966	9.7
97.06618	15.1
101.02451	4.7
105.72432	3.1
107.01411	10.7
109.06607	3.9
121.06579	4.1
123.04523	10.6
123.08160	11.0
125.02515	3.7
125.09738	35.3
134.04703	4.1
135.08147	4.1
137.06152	3.1
137.09772	15.4
147.90292	3.3
149.06143	5.4
151.00392	63.1
152.00731	5.4
161.04581	4.5
163.06175	3.7
163.11334	15.0
165.12856	9.2
167.10803	26.1
171.10301	6.1
181.12416	4.3
183.01308	4.6
185.11865	17.8
191.10861	5.9
191.14413	3.6
207.10291	11.9
209.11856	36.6
211.13431	6.7
221.19080	7.1
223.20706	43.4
225.11295	9.2
225.22325	5.4
234.46231	3.2
238.48685	3.1
242.11122	3.2
245.19109	7.5
253.21684	50.5
265.12881	6.8
267.02954	6.0
279.02600	3.4
279.06519	4.0
281.04446	6.9
282.24496	7.9
289.18069	14.3
296.06796	5.5
297.07602	4.1
307.06110	10.3
307.18967	4.0
309.03955	4.4
325.07227	100.0
325.11087	6.9
325.18451	7.3
326.07410	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03446	2.3
59.01096	1.3
59.01374	21.3
61.98828	2.6
65.00317	3.4
65.46626	0.9
66.01051	0.9
69.03458	1.1
69.72603	6.1
71.01381	6.7
71.05011	2.6
73.02931	1.0
78.26723	0.9
80.02699	1.1
81.03461	2.4
83.01365	1.4
83.05029	5.3
84.02176	3.1
85.02956	2.3
93.03461	1.2
95.05026	3.1
97.02937	0.8
97.06589	4.6
98.03777	0.9
98.20595	1.1
99.04543	1.8
99.08164	2.8
107.01387	5.3
109.06615	2.1
110.03773	1.0
111.04577	1.1
111.08157	0.9
112.05267	1.6
113.02458	1.2
115.07655	3.1
115.11356	0.8
119.05001	1.1
120.60939	1.1
121.02953	1.1
121.06576	1.1
123.08109	1.3
125.06105	1.4
125.09707	6.0
127.07656	16.8
127.11289	1.0
134.04730	0.9
135.08186	3.6
137.09700	1.7
139.07683	5.1
141.09172	1.4
145.02956	1.5
149.84013	0.9
151.00391	26.8
152.00714	1.9
153.09222	15.2
155.10788	3.2
163.04030	1.0
163.11288	3.7
165.12837	2.9
166.46591	0.9
169.01398	0.8
171.10294	18.2
178.09988	3.2
178.99910	1.4
181.12288	1.1
185.11853	18.3
186.12138	1.9
191.10820	1.9
191.14354	1.4
197.11836	18.1
198.12210	2.5
207.10277	1.3
209.11829	72.3
210.12137	4.1
211.13449	1.3
227.12852	2.0
236.10603	1.4
237.14908	1.0
238.12160	6.7
239.12457	1.0
245.19128	3.9
255.12268	2.1
256.13107	2.1
263.19992	1.8
265.18051	1.0
279.19537	1.4
279.64661	0.9
281.21231	1.9
289.17996	9.4
290.18423	1.3
297.06024	2.0
307.19135	100.0
308.19452	11.4
325.07126	1.7
325.20175	53.7
326.20496	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	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.3
62.77593	0.2
79.95704	1.3
87.41190	0.2
119.05033	0.9
123.17591	0.2
143.39793	0.2
144.72725	0.2
146.00322	0.3
151.00362	0.6
156.88281	0.2
170.00491	1.1
183.01219	45.1
184.01869	4.0
197.02774	3.4
198.03404	0.5
201.99345	0.2
211.04477	0.3
216.00987	2.1
225.05899	0.6
230.02527	0.3
239.07489	0.8
253.09023	0.3
267.10455	0.3
325.18420	100.0
326.18753	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
59.01374	6.7
61.32745	0.5
69.47597	5.1
71.01376	3.0
81.14208	0.5
85.02966	0.7
89.02459	2.3
90.93640	0.5
101.02458	1.6
101.17795	0.6
113.02470	1.7
116.79230	0.6
117.03483	19.5
118.03852	0.6
119.05042	80.2
120.05417	3.2
145.02972	100.0
146.03305	5.1
159.04573	1.0
161.06075	1.3
163.04034	71.2
164.04410	4.3
187.04086	3.6
205.05052	1.6
212.01321	0.6
219.30838	0.6
235.05940	0.7
265.07098	1.7
265.89157	0.5
325.09271	6.8
326.09399	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
53.04999	0.3
59.01094	0.4
59.01379	5.2
69.61163	2.2
69.61494	0.4
71.01387	3.3
71.33664	0.3
72.99292	0.5
85.02977	0.6
89.02447	2.2
92.45833	0.3
95.01394	0.4
101.02445	0.9
108.00900	0.3
113.02475	0.8
114.47547	0.3
117.03481	17.8
118.03815	0.8
119.03568	0.6
119.05038	5.8
133.06604	0.4
145.02968	100.0
146.03308	4.5
156.44312	0.3
159.04617	0.3
161.06075	1.3
163.04024	9.7
164.04379	0.5
187.03996	3.7
205.05043	1.7
235.06165	0.8
246.00400	0.3
265.07162	2.0
279.79709	0.3
325.09296	7.1
326.09787	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
54.29928	0.2
57.03447	0.5
58.00571	0.3
59.01377	9.6
59.25401	0.2
61.40603	0.2
63.85199	0.2
69.52480	1.4
71.01380	6.4
72.99326	0.4
73.02949	0.7
76.95548	0.2
82.00526	0.2
82.49832	0.2
83.01380	0.4
85.02950	2.9
87.00878	0.5
89.02448	3.5
93.03455	0.4
95.01390	0.3
95.50677	0.2
97.02877	0.5
99.00875	0.5
101.02449	4.8
102.02789	0.2
113.02471	2.3
117.03480	18.8
118.03792	1.1
119.03571	1.1
119.05037	5.7
120.05347	0.5
121.02956	0.4
131.03487	0.2
132.05765	0.3
133.02913	0.4
133.06601	0.9
137.02435	0.2
143.03491	0.3
145.02966	100.0
146.03299	5.3
147.02994	0.3
147.04469	0.2
159.04485	0.6
161.04587	0.7
161.06099	1.3
163.04022	9.8
163.06071	2.6
164.04350	0.8
173.06050	0.2
177.05580	0.6
179.05640	0.5
181.07259	1.1
187.04027	3.7
188.04343	0.2
205.05063	1.6
205.07164	1.1
235.06104	0.8
265.07098	2.3
289.07278	0.5
325.08682	5.5
325.11880	1.0
326.09430	0.5
327.08920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1138
Annotation	beta-D-Galactosyl-(1->4)-L-rhamnose
Peak:m/z	Relative Intensity
51.72190	0.6
57.03447	30.6
59.01376	44.3
60.01714	1.0
71.01385	15.0
71.01776	0.9
71.12594	1.6
72.99321	1.9
73.02942	5.3
75.00896	0.9
83.01389	1.1
85.02947	4.1
89.02441	10.8
93.96569	0.7
97.02952	0.9
97.26550	0.7
99.00899	1.3
99.04524	31.0
100.04880	0.7
101.02451	29.4
106.58321	0.6
113.02460	5.0
115.00401	4.3
115.04012	0.8
119.03529	2.4
125.02460	9.9
125.20732	0.6
127.47256	0.6
131.03513	3.1
133.01434	7.5
133.05060	1.2
142.99857	3.0
143.03519	2.4
145.05070	2.5
161.00925	1.7
161.04561	12.7
163.04050	1.2
163.06136	27.1
164.06516	1.2
181.07188	100.0
182.07484	3.5
204.53658	0.8
214.48709	0.7
223.08202	14.8
224.08534	0.8
254.62616	0.7
263.11368	2.1
325.11365	30.1
326.11664	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	325.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08242	0.5
59.01376	100.0
60.01713	1.6
61.98830	1.5
70.60754	0.5
70.61070	1.0
71.01380	3.6
72.12943	0.4
73.02965	1.3
75.00878	0.4
82.52629	0.4
82.82498	0.5
83.01396	0.6
85.02975	2.0
87.00909	0.4
89.02481	0.6
95.01398	0.5
98.20589	0.4
101.02452	4.3
113.02495	1.3
119.05038	25.4
120.05399	1.7
134.04724	3.3
147.06660	0.5
161.04578	5.1
163.04027	18.5
164.04387	1.2
207.88519	0.5
265.12885	9.8
266.13254	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	10.8
58.07734	1.1
59.01372	32.3
70.25020	4.9
70.42654	1.1
71.01379	20.9
71.83560	1.2
72.07619	1.1
72.42850	1.1
72.99301	3.8
73.02956	3.7
74.02441	1.0
75.00902	1.6
79.56361	1.0
80.73501	1.1
85.02957	7.5
87.00892	2.1
87.51696	1.1
89.02447	10.1
93.03510	1.8
98.19973	1.6
99.00901	4.4
99.04527	9.9
101.02455	14.1
105.03472	3.1
112.98814	1.7
113.02463	4.4
115.00378	15.4
119.03571	3.8
119.05032	100.0
120.05390	3.4
123.04593	1.7
125.02469	3.6
133.01436	28.1
133.02957	17.0
133.05066	5.0
136.26727	1.0
142.99875	10.6
143.03474	1.8
145.05092	6.5
147.03036	2.9
152.07050	1.1
161.00911	5.0
161.04549	4.5
163.04021	64.7
163.06053	12.7
164.04364	4.0
177.02003	6.5
181.07178	27.7
223.08151	4.6
325.07654	1.5
325.11325	27.0
326.11890	2.6
326.84174	1.3
327.08731	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.5
56.87431	2.2
57.03426	4.8
59.01091	3.6
59.01376	48.2
60.59513	2.3
61.98811	4.5
71.01377	5.2
71.05013	8.2
71.60902	2.1
81.03466	5.9
83.01383	13.5
83.05016	5.8
84.02175	2.5
85.02934	5.0
89.02406	2.6
95.05045	17.6
96.05354	1.9
97.02971	2.4
97.06588	17.0
99.48895	1.9
101.02430	3.3
107.05053	2.7
107.08679	2.0
109.06597	6.4
113.02457	5.6
113.06098	2.5
115.92061	2.3
121.02984	2.2
123.04513	6.1
123.08117	5.8
125.09737	22.1
135.04454	1.9
135.08176	10.4
149.09738	3.9
153.09265	3.4
161.04533	2.9
163.11282	9.0
165.12839	5.2
167.10768	4.8
181.12378	6.2
185.11836	16.2
189.12930	3.7
191.10757	8.4
203.14458	5.4
207.10164	3.1
209.11839	100.0
210.12196	6.3
237.14964	4.9
241.28867	2.0
243.17485	6.5
247.13358	5.8
265.14417	19.0
287.16400	8.5
305.17560	13.1
306.17722	2.8
323.18591	28.8
323.22049	4.2
324.18848	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	323.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29325	1.1
51.23228	1.0
55.01857	3.2
57.03435	4.2
58.00576	3.3
59.01377	100.0
60.01723	1.4
62.85223	1.1
63.19349	1.1
69.03458	7.3
69.45963	10.2
71.01382	84.4
72.01717	1.7
72.99324	5.2
73.02942	9.3
75.00891	1.3
81.03461	3.0
83.01388	7.3
85.02962	16.9
87.00867	3.8
89.02452	55.5
90.02751	1.3
93.03475	1.8
95.01408	7.2
97.02950	9.3
99.00891	7.3
101.02450	45.5
113.02456	23.2
117.03450	1.2
119.03513	25.6
119.05013	3.0
125.02469	23.6
129.01971	1.5
130.64449	1.2
131.03482	5.2
133.02965	1.4
137.93658	1.2
139.04021	1.6
143.03531	7.4
143.43333	1.0
145.02948	6.2
145.06607	1.4
147.04500	4.4
149.04512	1.1
161.04568	6.8
161.05724	1.1
163.04028	1.9
173.05986	1.3
179.05615	4.2
187.07628	3.6
188.34610	1.1
189.05551	1.8
194.96095	1.1
201.05652	1.2
211.97504	1.1
219.06546	1.7
221.04633	1.7
221.06636	7.0
245.06677	2.9
263.05356	1.8
263.07928	2.1
323.10046	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16332	0.6
57.03433	1.4
58.00589	3.1
59.01375	90.6
60.01719	0.8
69.52631	5.4
71.01379	46.1
72.99318	3.1
73.02959	1.4
83.01389	2.0
85.02946	8.0
87.00903	0.9
89.02448	45.3
90.02763	1.2
95.01399	4.3
96.47103	0.6
99.00873	0.7
99.08216	1.2
101.02446	27.3
113.02460	17.3
113.03249	0.8
119.03515	21.1
131.03499	1.2
143.03520	2.3
149.04501	1.3
161.04607	1.1
162.69162	0.7
179.05656	2.6
323.13449	100.0
324.13812	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63018	3.6
57.03440	6.4
59.01376	100.0
60.37434	3.2
61.36869	3.4
62.82212	3.9
71.01363	9.4
71.05018	34.5
71.60864	4.4
80.55740	4.8
81.03474	5.4
89.02432	4.4
95.05033	21.4
96.96026	5.1
101.02435	7.9
101.06139	5.9
107.05038	6.7
109.06608	16.1
111.04536	4.1
113.02395	5.5
121.06618	4.5
125.02515	5.3
127.07683	5.4
135.08186	9.9
147.08179	3.9
149.09702	3.7
161.04581	5.6
161.06096	4.1
165.09196	11.6
189.12875	14.0
205.15961	4.5
233.11806	6.4
237.14961	21.9
243.17488	10.7
249.14919	14.9
252.90100	3.6
263.11414	5.2
287.16504	26.9
305.17532	29.1
305.21210	28.8
306.18076	4.7
306.21414	6.1
323.05743	6.1
323.18710	7.0
323.22195	7.3
325.65390	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	323.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95672	0.7
54.41011	0.7
55.01883	0.7
57.03447	2.2
58.00591	0.8
59.01378	100.0
60.01722	0.9
65.21067	0.7
67.37915	0.7
68.99537	1.5
68.99836	2.7
69.95424	3.1
70.37079	0.6
71.01380	23.1
72.99314	1.9
73.02955	20.2
75.00896	1.7
78.95914	5.1
81.03485	0.7
83.01416	1.8
84.42896	0.7
85.02964	6.3
87.00906	3.3
87.04510	1.2
87.92527	3.9
89.02448	17.0
93.01660	0.7
95.01377	1.1
96.97003	2.2
96.99317	3.8
97.02957	1.4
99.00901	5.5
99.04570	0.8
101.02457	12.0
101.06098	1.5
103.92030	10.4
104.92821	7.6
105.93600	1.9
106.94410	1.5
110.03752	0.8
111.00867	1.1
112.98595	3.8
113.02464	8.4
115.00368	0.7
115.07685	1.7
117.01952	48.5
118.02278	1.3
119.03541	5.4
121.72115	0.8
123.94658	9.4
125.00970	1.1
129.01988	1.0
130.94339	1.5
130.99834	1.4
131.03517	2.0
141.01965	1.1
142.99904	0.9
143.03510	2.3
143.07124	3.9
145.00386	1.0
145.05090	2.3
147.03078	1.1
147.94640	5.2
148.00470	1.3
149.04562	8.9
156.95903	0.9
157.96770	2.2
159.03017	1.8
161.04582	4.1
161.08223	2.8
161.96217	1.3
162.73309	0.9
163.02798	1.6
167.02048	1.5
170.04068	0.8
171.94675	1.8
177.04010	1.3
178.05107	3.2
179.05611	2.9
195.05180	1.1
199.97702	1.0
249.26123	0.8
251.99361	2.0
263.06158	9.9
263.11353	3.4
264.05164	1.6
323.03271	1.1
323.09763	5.7
323.13440	38.8
323.97888	5.1
324.07138	6.0
324.13724	3.5
327.08621	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.4
59.01376	100.0
60.01725	0.7
63.73573	0.4
71.01382	4.9
85.02952	0.9
87.00877	0.5
87.64324	0.3
89.02451	6.2
94.10892	0.4
99.23856	0.4
101.02463	3.0
110.15587	0.3
113.02440	2.1
119.03495	2.6
136.07698	0.4
143.03595	0.5
160.43309	0.4
161.04559	0.6
179.05710	0.6
321.10034	0.5
321.15585	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	322.0931
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01867	1.8
57.03438	2.2
58.00590	4.0
59.01377	100.0
60.01707	1.3
71.01384	54.7
71.65318	1.2
72.99311	5.7
73.02948	1.4
74.11434	0.7
74.26572	0.7
75.00878	1.2
83.01386	2.4
84.89428	0.8
85.02955	9.7
87.00876	3.3
87.48481	0.9
89.02451	53.2
90.02784	0.9
95.01397	4.1
96.90327	0.8
99.00917	1.1
101.02457	29.3
113.02454	20.9
114.02853	0.9
116.05074	34.7
117.03469	3.4
117.05407	1.5
119.03514	19.8
119.05013	3.6
121.80908	0.8
129.01953	1.8
131.03537	0.9
133.47354	0.8
143.03539	3.4
144.04620	1.6
145.01860	1.5
145.02974	25.3
153.53711	0.8
159.03169	2.3
160.04060	62.0
161.04463	5.2
163.03999	4.1
173.04477	1.2
177.04111	1.1
179.05612	5.0
202.05109	32.0
203.05371	1.2
229.08330	0.9
232.06120	5.4
233.06322	0.9
234.07451	0.9
262.07178	42.6
262.25357	1.0
263.07608	4.1
293.76434	0.9
322.09308	71.0
322.15536	2.0
323.10083	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	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42381	0.9
55.01882	1.8
57.03444	1.4
58.00592	3.9
59.01378	97.8
60.01699	2.0
69.37760	9.8
71.01383	51.2
72.01712	1.2
72.99300	3.4
73.02927	2.0
78.95901	1.3
83.01385	2.8
85.02953	9.6
87.00877	1.8
89.02451	52.7
95.01397	3.3
99.00893	2.5
101.02453	36.7
102.02758	1.1
113.02457	17.2
113.09754	1.5
119.03516	22.8
121.69553	0.9
131.03506	0.9
139.11378	1.3
140.04311	1.0
140.11667	1.0
141.09245	12.1
143.03539	3.2
158.40585	1.0
159.10255	5.3
161.04559	2.5
179.05646	2.4
183.10280	1.3
185.03587	1.2
225.88133	1.1
246.09201	1.1
246.59427	3.6
321.15549	100.0
322.15894	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01717	1.3
71.01390	3.0
71.05060	0.3
71.63700	0.6
73.02961	0.9
77.14906	0.4
83.01418	0.7
85.02967	1.7
89.02452	1.5
99.00869	0.5
101.02448	2.3
105.02976	0.3
110.06153	0.6
113.02481	1.5
118.98073	0.4
119.03537	0.8
125.02667	0.3
131.37144	0.3
134.03732	1.1
136.03979	0.4
141.09233	0.6
161.04605	0.5
193.05049	0.4
215.46146	0.4
261.13382	4.6
321.11331	0.7
321.15558	4.4
322.15756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.5
59.01379	22.2
59.50386	1.8
69.09998	1.8
70.64265	5.8
71.01386	88.0
72.99310	21.7
73.02954	3.4
78.95931	3.6
83.01413	3.2
85.02956	10.3
87.00882	32.9
89.02474	6.5
95.97148	1.7
96.96958	7.1
97.02959	7.2
97.06583	2.1
99.00891	20.5
101.02464	6.2
101.06080	5.8
111.00921	4.6
112.98823	42.9
113.02476	3.0
115.00381	23.2
119.03512	4.6
124.98813	7.7
128.03554	5.9
129.01938	8.8
134.04735	2.0
141.05640	2.4
142.99883	100.0
144.00212	5.7
145.01459	4.1
146.06120	1.9
147.03008	63.4
147.06657	21.1
148.03197	2.4
157.01450	2.3
159.06624	2.4
173.00922	35.3
173.07219	2.1
175.02521	6.8
182.97827	2.2
217.03452	3.7
321.08188	11.8
321.11896	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	321.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
57.03438	2.0
58.00573	3.6
59.01377	88.5
60.01716	1.3
60.25763	0.9
69.94277	5.4
71.01382	55.1
72.01672	1.1
72.99308	4.5
73.02953	8.9
75.78909	0.8
82.69493	0.8
83.01377	5.8
85.02951	16.9
85.41825	0.8
87.00872	3.2
89.02447	42.0
95.01396	3.9
97.02928	1.2
97.06599	1.0
98.19966	1.1
99.00884	2.5
101.01786	2.0
101.02451	39.6
102.02767	1.5
113.02455	23.8
114.02779	1.2
119.03506	19.7
131.03532	2.0
143.03493	3.4
149.04578	1.9
159.03087	2.1
161.04562	9.0
179.05608	3.0
187.09729	2.4
321.11893	100.0
322.12347	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	319.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54657	0.4
58.00599	0.7
59.01377	100.0
60.01718	1.5
61.98835	1.5
62.54353	0.5
64.11772	0.5
66.30943	0.5
71.01382	10.6
71.19941	1.0
72.99326	0.6
73.02956	2.1
73.62617	0.4
78.49999	0.5
80.96562	0.5
83.01391	0.8
85.02943	3.1
87.00910	0.8
89.02448	7.4
89.91673	0.5
93.57705	0.4
95.01400	0.6
97.02973	0.6
99.00893	0.7
101.02451	6.0
111.00916	0.5
111.04546	0.5
113.02454	3.8
113.06107	0.6
119.03517	3.4
121.02995	1.6
123.04624	0.5
127.07682	0.9
138.05670	2.0
139.04070	0.5
139.05977	2.1
139.07669	4.1
140.07187	3.6
143.03500	0.8
145.02954	0.6
157.08849	0.5
161.04572	4.6
171.06694	0.6
179.06998	0.5
179.19868	0.4
182.08282	1.2
200.03722	0.5
241.05043	2.9
256.07449	1.7
259.08304	3.1
259.10715	0.4
271.09674	3.3
319.05139	0.5
319.10590	1.0
319.13919	6.3
320.14313	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
68.99569	69.8
70.24332	2.8
70.29350	0.6
71.01369	0.8
71.36655	0.6
73.56258	0.6
77.30271	0.6
112.98573	100.0
113.98891	2.0
155.56726	0.6
247.29054	0.6
259.06750	0.9
317.17389	0.6
319.08914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.4
59.01371	2.0
67.98727	0.3
71.01382	1.3
71.05020	7.5
85.02975	0.6
87.59019	0.3
89.02446	0.8
95.05027	17.6
96.05354	0.7
97.02954	27.8
98.03272	0.7
101.02439	0.9
107.01100	0.3
107.27423	0.3
108.02195	0.7
109.02962	14.5
110.03295	0.7
113.02493	0.3
115.04026	4.2
121.02966	0.5
133.42796	0.4
136.04027	0.4
137.02464	1.4
139.04021	64.5
140.04370	2.8
144.65704	0.4
153.01944	27.8
154.02283	0.8
164.03499	0.8
165.01932	10.0
166.02275	0.7
183.02986	100.0
184.03326	4.6
196.06172	1.3
252.53102	0.4
319.04700	0.4
319.13367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03436	0.9
58.00584	2.8
59.01377	56.5
60.01724	0.5
68.61555	0.5
71.01383	34.6
72.99310	3.4
73.02939	2.1
78.95918	2.7
83.01401	2.9
85.02955	8.3
87.00876	2.1
89.02450	31.9
90.02750	0.6
95.01385	3.1
95.05041	0.7
96.96986	5.8
99.00893	1.2
99.04520	0.5
101.02452	26.0
108.02187	1.6
109.02428	0.8
109.03049	0.7
109.37481	0.5
110.02546	0.6
110.03291	1.1
111.00917	0.7
111.04523	0.6
112.04031	2.3
113.02458	15.4
114.02785	0.8
114.05598	1.2
115.00312	0.7
116.92886	0.6
118.98124	0.6
119.03514	14.9
125.02479	0.8
126.05620	0.9
131.03516	0.9
137.02451	0.6
138.05621	19.4
139.00357	1.5
139.04016	0.8
139.05949	1.0
140.01129	1.8
141.01509	0.9
142.08743	0.7
143.03516	1.3
149.04578	0.8
153.01678	1.7
154.05045	1.1
155.02145	0.7
155.03510	1.3
156.03882	1.4
156.06670	15.5
157.05116	0.8
157.06969	0.7
161.04552	1.2
171.06691	0.7
172.04120	0.5
179.00240	0.7
179.05612	1.2
181.26289	0.5
214.61752	0.5
318.11920	100.0
319.12408	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	317.088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.4
59.01375	6.8
64.41433	0.3
67.38036	0.4
69.90804	1.2
69.91216	0.6
71.01392	4.5
72.99303	0.4
73.02946	0.5
78.95894	0.4
80.96531	0.3
85.02945	1.2
87.00895	0.7
89.02450	3.7
97.02930	0.3
99.00865	0.6
99.92630	0.3
101.02451	2.8
108.02197	1.6
109.02982	4.5
110.02577	0.4
110.99010	0.3
111.00883	1.9
111.03497	0.4
112.04053	1.4
113.02467	1.5
114.05613	1.4
115.92109	0.5
116.92880	1.1
117.05568	0.6
118.98137	0.4
119.03525	2.1
119.05083	0.3
120.99632	0.6
123.03223	0.6
123.04567	1.0
124.04840	0.3
125.02486	0.5
126.05635	1.8
136.04068	0.9
137.02513	0.4
137.04352	0.6
138.05635	6.9
139.00381	4.3
140.01170	78.3
141.01492	2.7
151.04005	0.5
153.01956	6.7
153.05594	1.1
154.02579	0.9
154.05046	0.9
155.03514	100.0
156.03868	4.4
156.06624	2.4
161.04535	0.6
165.99107	0.9
168.06676	1.7
179.05685	0.4
179.07323	0.4
181.88362	0.3
184.00148	1.5
198.07794	0.6
279.10843	2.0
300.10889	0.5
317.08698	11.5
318.02997	0.8
318.09256	1.1
318.12350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.254
Annotation	3,18-dihydroxystearic acid
Peak:m/z	Relative Intensity
57.03458	0.8
59.01376	100.0
60.01708	1.2
61.98815	1.1
68.11880	0.4
71.05045	0.6
76.03683	0.4
98.20642	1.3
99.29169	0.5
105.20758	0.4
151.00511	0.5
151.31186	0.5
181.16055	0.5
183.17581	2.9
197.19064	2.3
204.01208	0.5
225.22165	1.5
229.64322	0.6
237.22256	1.1
255.23277	14.2
256.23578	1.2
297.24442	1.5
315.25394	68.6
316.25745	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	315.1083
Annotation	Taxicatin
Peak:m/z	Relative Intensity
50.15423	0.3
51.38885	0.2
52.02803	0.3
57.03453	0.8
65.00319	0.5
69.15011	0.3
71.01369	0.3
71.04256	0.5
71.04594	0.5
75.00860	0.4
81.03464	0.4
81.75985	0.3
83.01403	1.2
93.03485	0.9
95.05052	0.7
107.01390	0.9
108.02185	0.3
109.02982	0.9
122.03748	0.4
123.04533	68.4
123.42510	0.3
124.04856	3.6
125.02460	4.3
129.01883	0.4
137.02438	2.1
151.00386	8.8
151.01585	0.6
152.00650	0.3
153.05583	100.0
154.05923	6.1
163.55702	0.3
169.01437	6.4
173.52429	0.3
174.25160	0.3
177.04059	2.2
195.05025	0.8
252.38367	0.3
315.07205	11.7
315.10858	3.4
316.07751	1.6
316.11038	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77880	0.5
55.01880	0.7
55.14206	0.5
55.14471	0.5
57.03454	0.7
59.01379	100.0
60.01731	1.4
60.19709	0.7
63.41759	0.6
65.00315	0.8
68.99219	0.6
71.01388	11.4
71.63212	1.1
72.52800	0.5
73.02954	2.9
75.00893	0.7
82.02992	1.0
83.01409	2.4
84.00932	1.1
85.02961	4.5
89.02480	1.2
93.03472	14.8
95.01412	1.3
96.04583	2.6
97.02982	1.1
98.02508	1.1
99.00895	1.8
100.04043	0.9
101.02455	5.5
107.01444	0.6
108.02242	2.0
109.02975	2.0
112.04083	2.3
113.02473	4.4
116.92928	0.7
118.98129	1.9
122.02515	0.7
123.04549	0.7
124.01701	1.2
125.02465	3.6
130.08757	8.9
137.02466	0.7
143.11914	7.8
151.00394	5.0
152.01207	2.2
153.00745	1.8
153.01955	26.0
153.05634	1.5
154.02440	1.0
156.03075	1.3
159.03050	1.5
161.03233	1.0
161.04585	18.5
161.05859	1.0
162.04953	0.7
166.01521	2.5
167.03554	0.7
168.00694	2.0
169.01463	1.8
177.02039	3.2
177.04056	0.5
184.02640	0.7
187.10898	1.6
195.03043	1.1
196.98119	0.6
201.08157	0.6
205.03554	0.8
207.03050	0.7
209.12943	3.4
225.02089	0.5
225.12546	0.7
253.11971	4.5
255.08824	1.6
269.11340	3.3
270.11816	1.0
271.13071	1.0
297.10983	2.5
315.07339	10.2
315.12057	11.1
316.07306	1.5
316.12329	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
68.99812	0.4
69.68330	0.3
70.75913	0.8
70.76275	0.8
71.01385	2.0
73.02950	0.9
81.03450	0.8
83.01379	0.5
85.02940	2.0
93.03491	0.8
95.01399	1.7
98.20618	0.4
101.02445	1.0
108.02183	100.0
108.14989	0.4
109.02991	29.8
110.03316	0.7
113.02458	1.1
121.02943	1.6
123.00911	1.1
123.04530	1.4
124.47877	0.4
133.02951	0.9
135.00960	0.4
139.04082	0.4
151.04016	1.7
152.01169	71.3
153.01961	28.3
153.02937	0.3
154.02327	1.6
163.04018	1.4
165.01952	2.0
181.05031	0.4
195.03110	0.5
315.07196	91.6
316.07501	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	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03448	5.3
58.80018	0.4
59.01384	0.7
61.37474	0.4
65.00330	6.1
69.30054	4.2
77.00752	0.3
81.03472	1.6
83.01390	11.9
83.01871	0.6
86.27046	0.3
93.03479	1.2
98.20647	0.8
107.01395	11.8
108.02209	0.7
109.02989	0.7
115.34323	0.3
123.04539	0.6
124.01665	1.3
125.02458	37.2
126.02825	1.8
137.02466	2.1
151.00386	93.4
152.00713	4.3
153.01938	0.4
168.00667	1.5
169.01436	64.4
170.01785	3.2
177.02013	0.4
178.99959	0.4
193.01430	0.4
315.07196	100.0
316.07556	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	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
51.93640	0.3
53.76521	0.3
57.03444	0.5
59.01378	0.5
69.90611	1.7
71.01366	1.7
73.02947	0.9
76.43482	0.3
81.03447	0.9
83.01375	0.7
85.02967	1.8
93.03448	0.6
94.33987	0.3
95.01403	1.2
98.20614	0.4
99.00911	0.5
100.00371	0.3
100.69390	0.3
101.02444	0.9
107.01414	0.3
108.02184	100.0
109.02979	38.8
110.03282	1.4
113.02437	0.9
121.02946	1.0
123.00889	1.1
123.04495	0.5
125.02458	1.3
133.02939	0.6
135.00806	0.3
135.04477	0.3
151.00410	2.7
151.04013	1.3
152.01163	64.9
152.51799	0.3
153.01958	30.9
154.02298	1.2
163.04002	1.1
165.01894	1.8
169.01427	2.0
225.04091	0.8
315.07199	93.8
316.07553	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Bungeiside A
Peak:m/z	Relative Intensity
50.28856	1.6
55.01875	11.4
57.03437	6.6
57.10299	1.5
58.00571	2.3
59.01381	51.3
68.41729	1.5
69.22977	20.8
69.23314	3.4
69.33073	1.6
70.53379	1.8
71.01385	100.0
71.05867	1.5
72.99320	2.6
73.02943	33.5
83.01396	17.1
85.02958	49.7
86.03291	2.7
87.00887	2.9
89.02458	6.9
95.01390	7.8
97.02947	2.8
98.19875	4.4
99.00892	14.4
101.02457	83.8
102.02820	2.8
113.02467	44.0
129.01993	1.9
143.03484	5.4
143.97609	1.7
151.04002	2.0
159.02980	13.9
161.04576	63.0
162.05025	2.6
210.76080	1.8
221.49109	1.7
245.16823	2.0
269.10321	23.9
298.27621	1.9
313.09296	30.1
313.12668	1.4
314.09409	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41335	0.6
59.01376	2.4
60.91807	0.7
69.64784	4.2
71.01382	30.2
72.81918	0.7
72.99332	1.0
81.93493	0.7
84.70102	0.8
85.02966	2.3
87.00833	0.7
115.00382	23.1
133.01443	14.2
135.08147	1.0
153.09227	100.0
154.09555	5.2
158.17450	0.8
179.07109	0.8
191.03548	1.1
197.08202	40.7
198.08522	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	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.42472	0.5
54.88877	0.6
57.03440	1.3
59.01382	14.2
61.87081	0.6
61.98840	0.7
71.01385	1.2
81.48665	0.6
83.05053	0.7
101.02480	0.8
102.76073	0.6
108.22887	0.6
114.30720	0.5
121.10243	1.6
123.08215	1.1
125.09736	3.0
127.11308	5.9
137.09743	0.8
139.11301	13.3
139.57863	0.7
140.11710	0.7
141.12848	0.6
151.11311	1.3
153.09206	1.2
153.58424	0.5
155.10789	3.3
156.62831	0.6
161.04536	1.1
165.09251	0.7
167.10789	1.0
167.14537	0.6
170.31056	0.6
171.10287	64.8
172.10600	3.4
183.01341	0.6
183.10220	5.6
185.10191	1.0
185.11838	16.2
193.12303	0.7
201.11305	10.1
211.13370	1.3
226.19292	0.6
251.11307	2.3
275.20172	4.9
276.20517	0.7
293.21243	22.9
294.21616	1.6
303.63104	0.7
311.22284	100.0
311.29733	2.3
312.22614	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
56.97720	0.5
57.03464	1.2
58.51598	0.6
59.01375	19.7
61.98824	1.2
64.81588	0.5
68.62540	0.5
69.24913	0.5
71.01389	1.3
71.27016	0.9
73.02961	0.8
86.07415	0.5
87.00871	0.5
88.03041	0.5
99.08167	1.3
101.02458	1.3
113.02473	0.6
113.09749	3.2
121.10217	0.8
123.08182	0.9
125.09718	1.5
127.11301	2.4
129.09258	4.2
137.09680	0.5
139.11284	5.2
151.11191	0.9
155.10768	1.1
161.04518	1.4
169.12314	1.1
171.10277	28.4
172.10622	1.8
181.12347	2.3
183.01218	1.0
183.10353	2.6
183.13876	1.5
185.11844	5.5
191.99721	0.5
193.12308	0.9
197.11850	6.0
199.13454	2.6
201.11327	5.4
211.13373	10.7
251.11299	3.2
265.21707	0.8
275.20206	2.5
277.86459	0.7
293.21225	13.0
294.21597	1.4
311.12198	5.6
311.22266	100.0
312.22589	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	10.0
56.58476	1.7
57.03451	12.6
59.01382	37.6
69.57088	11.5
69.57491	2.8
71.01383	82.6
72.99305	3.4
73.02947	30.9
73.37428	2.0
83.01389	17.3
85.02959	100.0
87.00898	4.7
89.02439	4.1
95.01404	5.8
98.23252	1.7
99.00890	13.3
101.02451	65.9
102.02782	2.6
107.05019	3.9
111.00878	3.7
113.02457	33.9
121.02950	4.0
127.03162	1.7
129.01984	8.7
143.03481	2.7
147.03021	7.7
159.03012	8.8
161.04584	42.9
190.48721	1.5
191.01968	13.1
208.35695	1.8
212.02827	1.8
234.33476	2.0
269.10233	14.6
270.10562	1.8
299.51425	1.7
313.05774	3.5
313.09229	27.7
313.12521	2.7
314.09561	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	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39723	0.4
59.01379	100.0
60.01711	1.0
61.98839	1.0
69.62824	0.8
69.63223	3.0
71.01400	2.4
73.02955	1.3
79.00666	0.4
79.26973	0.4
83.01380	0.5
85.02976	1.5
89.02441	0.5
91.74786	0.4
97.25135	0.4
99.00915	0.4
101.02448	2.3
102.98517	0.4
105.02010	0.4
105.52980	0.4
113.02470	1.3
119.05043	2.9
120.20509	0.4
120.56023	0.4
161.04620	1.5
163.04015	3.3
164.21953	0.4
165.04111	1.6
197.52232	0.4
251.11325	4.8
271.06833	0.4
289.41492	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50932	0.2
53.11637	0.2
62.27308	0.2
65.52769	0.2
76.59739	0.2
79.95700	1.4
81.95279	0.3
98.95591	0.7
119.05026	1.1
170.00459	1.2
183.01213	47.5
184.01863	4.0
197.02759	2.1
198.03459	0.6
214.84770	0.2
216.00963	2.0
225.06007	0.6
227.27211	0.2
230.02536	0.6
239.07503	0.8
247.20586	0.4
253.09015	0.4
311.16843	100.0
312.17160	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03441	0.9
57.94702	0.7
59.01380	23.8
60.01714	0.7
61.98822	1.5
70.71071	0.7
70.71432	2.0
71.01377	2.0
83.05029	1.4
85.02950	0.7
95.05050	0.7
97.02973	1.0
99.08169	1.0
101.02444	2.0
106.51347	0.6
113.02461	0.9
113.09721	1.5
120.98756	0.7
121.02885	0.6
121.10219	1.5
123.08183	1.0
125.09714	2.1
127.11320	3.6
129.09198	0.9
139.11311	8.9
155.10822	1.6
161.04596	1.0
165.12843	0.8
167.10773	0.9
169.12340	1.0
171.10283	43.3
172.10612	1.9
181.12383	0.8
183.10297	3.7
185.11833	8.4
191.31085	0.6
192.24271	0.7
193.12306	2.7
197.11801	2.2
199.13440	1.1
201.11317	5.4
211.13373	6.6
223.20642	1.0
227.12981	0.8
251.11264	3.1
265.21985	0.6
267.06604	18.4
268.07089	1.6
275.20193	2.9
293.17932	1.4
293.21237	22.6
294.21521	2.4
311.12930	12.4
311.22275	100.0
312.13263	1.1
312.22617	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	311.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88543	0.6
55.50660	0.6
57.01557	0.6
57.03442	0.9
58.00579	2.5
59.01376	58.3
60.01709	1.3
69.03468	4.2
70.30859	0.6
71.01382	32.4
71.01775	1.6
72.01730	0.7
72.99301	1.6
73.02958	3.7
75.00874	3.3
83.01390	2.1
85.02950	6.7
87.00874	2.1
87.04539	0.7
87.56548	0.6
89.02451	40.4
90.02757	1.1
95.01389	2.4
101.02450	22.1
103.04016	0.7
113.02453	12.5
119.03516	11.9
120.36502	0.5
131.03513	5.3
143.03488	1.7
149.04578	1.8
161.04581	1.8
179.05603	2.3
182.76529	0.6
191.91447	0.7
206.95546	0.9
311.09821	100.0
312.10129	7.4
315.13095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0983
Annotation	6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose
Peak:m/z	Relative Intensity
53.44706	0.5
57.03429	1.0
58.00598	2.8
58.05418	0.5
58.21124	0.5
59.01376	71.7
60.01720	1.0
60.47678	0.5
69.03443	4.0
71.01382	35.1
71.35989	1.3
72.01723	0.7
72.99310	3.5
73.02962	2.4
75.00866	4.6
83.01399	1.6
85.02953	7.0
87.00875	2.5
87.04537	0.7
89.02449	43.4
90.02798	0.5
95.01396	2.2
99.00907	1.2
101.02450	25.2
105.01942	1.3
113.02457	14.1
117.39161	0.6
119.03513	16.7
119.04911	0.6
122.06176	1.0
126.98811	0.7
129.01968	0.7
130.08749	1.5
131.03514	4.9
133.05055	1.5
143.03505	1.9
149.04599	2.2
150.05638	3.3
161.04585	2.9
163.04019	1.4
177.03999	1.0
179.05615	2.8
181.07220	3.3
195.05084	1.1
206.95506	0.6
251.11179	0.9
252.96109	0.6
276.43115	0.6
293.08627	0.9
300.02151	0.6
311.09824	100.0
312.10248	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.8
64.90355	0.4
69.10909	0.5
69.61843	3.5
71.01402	2.4
72.47095	0.5
87.00875	4.3
89.02448	0.6
93.03478	0.8
99.00871	4.1
101.02445	2.5
105.01942	4.8
116.06823	0.5
119.05038	69.7
120.05404	3.1
122.88357	0.5
134.03680	0.4
147.03011	7.3
163.04021	100.0
164.04349	5.4
165.04051	26.1
166.04416	0.7
221.04318	0.6
311.07669	3.0
322.93115	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55857	0.9
57.03447	1.7
59.01367	5.9
69.85589	3.2
69.86001	2.7
71.01386	3.2
72.99307	2.1
73.02946	6.6
75.40254	0.9
81.60817	0.8
85.02965	1.0
87.00879	16.4
98.03803	0.9
99.00906	2.9
101.02467	2.5
105.01938	14.6
119.05038	100.0
120.05355	6.2
121.06635	1.1
135.08154	1.4
139.07690	2.9
147.03015	4.0
149.06223	0.8
159.11940	1.1
163.04024	93.7
164.04358	5.5
165.04051	97.8
166.04382	2.5
171.08118	1.9
177.09222	2.2
187.11284	5.3
188.11497	1.3
205.12323	9.9
206.12746	1.2
231.10254	1.9
249.11313	5.1
267.12399	2.2
302.27737	0.9
311.11362	8.7
312.10941	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
59.20950	0.4
60.70824	0.5
65.06057	0.5
69.56644	3.2
71.01382	1.4
72.99343	0.5
73.02961	0.9
75.00857	0.6
84.46003	0.5
87.00886	17.0
93.03452	0.9
98.18456	0.5
98.19814	0.5
99.00880	3.8
101.02467	1.2
105.01951	17.9
115.00373	0.6
117.01965	0.7
119.05040	53.8
120.05371	3.1
131.96173	0.6
135.03072	0.5
147.02994	5.6
163.04027	54.1
164.04350	2.9
165.04054	100.0
166.04433	2.7
166.32129	0.5
244.57268	0.5
311.07635	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03442	3.3
59.01379	14.6
61.98831	2.6
66.04156	1.0
69.03446	1.4
71.01376	2.6
71.05020	18.5
72.08654	1.1
83.05029	1.8
95.05032	1.2
96.96059	2.4
97.06584	3.8
107.05034	1.6
110.42503	1.3
119.08652	1.4
121.10233	11.6
123.08154	2.0
125.09737	9.3
131.90630	1.2
135.08240	1.2
137.08751	2.2
137.09727	16.9
138.10017	1.6
141.12898	1.3
142.22804	1.1
171.10294	44.9
172.10605	2.3
177.07027	1.1
185.11823	17.0
191.72211	1.2
194.12337	1.4
197.11754	1.5
207.13879	1.9
207.17509	1.5
211.13509	1.4
235.16994	2.4
237.09219	1.7
237.14870	1.6
247.20537	1.7
251.16499	37.1
252.16864	3.0
273.18567	2.7
291.19644	95.4
292.19958	11.2
309.20679	100.0
310.21033	10.7
313.60687	1.2
330.36325	1.1
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
54.39714	1.1
57.03440	3.5
57.99087	1.2
59.01377	19.0
61.32959	1.1
61.98829	8.1
69.03458	1.6
71.01376	2.1
71.05022	16.0
81.03506	1.7
83.05032	1.5
89.29307	1.5
91.88107	1.3
93.07099	1.5
96.96067	1.4
97.06596	5.4
107.05058	1.6
109.06539	1.2
109.16220	1.3
119.08653	1.5
120.58574	1.2
121.10242	12.4
123.08176	2.3
125.09742	12.1
130.97981	1.2
135.08150	1.3
135.10258	1.3
137.09744	18.6
138.00381	1.2
141.12830	2.5
147.08069	1.3
149.72762	1.3
171.10283	41.9
172.10562	2.0
185.11874	15.8
186.12169	1.5
192.55104	1.2
197.11847	5.7
211.18336	1.3
211.63310	1.4
219.13797	2.3
235.16972	1.6
237.14847	3.4
247.20251	1.3
251.16507	37.9
252.16835	3.5
273.18542	2.3
291.19641	100.0
292.19965	12.1
299.24625	1.5
309.20694	98.7
310.21075	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	310.0931
Annotation	p-Glucosyloxymandelonitrile
Peak:m/z	Relative Intensity
57.03429	1.7
58.00574	1.9
59.01377	45.7
61.98844	0.9
67.89171	0.9
69.03467	1.1
71.01387	22.0
71.63005	1.0
72.99305	3.1
73.02954	10.8
75.00880	9.5
76.30270	0.9
76.40534	0.8
83.01402	1.5
84.02180	1.0
85.02969	8.7
87.00882	4.7
89.02444	20.6
92.05086	4.9
95.01371	1.5
96.72839	0.8
99.00873	2.3
101.02454	13.3
103.04023	0.9
105.01948	3.8
108.02155	0.9
109.02946	0.9
113.02461	8.6
116.05092	1.8
118.03020	2.8
119.03648	9.7
119.05038	65.2
120.04556	5.4
128.05048	0.8
131.03696	4.2
131.05051	2.5
132.04564	7.9
132.08083	1.1
134.06136	2.1
135.04527	1.6
137.02463	1.3
140.90504	0.8
144.04596	5.3
146.02498	40.5
146.06157	1.7
147.03276	42.1
148.04089	10.6
149.04436	1.3
149.06102	2.9
158.06107	1.8
159.03244	1.5
160.04060	55.9
161.02437	2.1
161.04492	5.2
162.05638	3.9
163.04025	100.0
165.04051	14.0
172.04025	5.1
173.04543	1.3
174.05626	10.6
179.02211	7.3
179.03629	1.1
179.05615	3.4
180.22050	0.9
186.05602	2.6
187.11339	1.8
202.05124	16.8
203.05438	1.8
205.12306	2.2
214.05116	6.0
220.06180	4.5
232.06082	1.6
249.11325	1.9
251.11392	0.9
309.91800	0.9
310.09329	77.9
310.12378	2.8
311.09650	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01804	0.9
59.01376	3.1
69.03462	1.3
70.91373	2.8
70.91724	1.2
78.69365	1.0
83.05016	1.1
93.61937	1.0
105.79023	1.0
109.06593	1.8
111.08166	28.1
112.08527	1.5
120.24628	1.0
127.07661	1.9
151.11259	1.5
152.08437	1.8
153.12840	1.1
155.20766	1.1
157.83435	1.0
169.12341	6.3
170.12613	1.2
171.10300	2.7
172.44804	1.0
181.12294	2.2
183.13927	1.4
185.11807	1.0
197.11836	100.0
198.12146	7.4
199.13383	4.8
211.13405	10.7
212.13527	1.0
227.12917	3.6
229.19534	1.0
261.03656	1.0
263.20105	7.8
265.18082	3.3
273.18665	2.5
291.19684	21.0
292.20129	1.6
309.17218	2.4
309.20679	44.8
310.21045	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.1
58.00579	1.9
59.01368	6.7
63.81946	1.4
69.03451	4.3
71.05044	1.5
71.13563	2.9
72.57478	1.2
78.32175	1.2
83.27583	1.3
92.69659	1.4
97.02984	5.8
97.06592	2.9
99.00883	4.5
111.08194	2.5
119.08666	16.0
125.09747	5.8
127.11283	2.0
135.08177	2.8
137.09738	29.7
140.75899	1.4
151.04044	2.1
151.07646	6.4
151.11328	3.0
152.08423	3.9
153.09106	1.7
155.10793	3.7
163.78148	1.3
165.09204	1.4
167.10826	4.8
169.56413	1.4
171.10278	100.0
172.10585	4.8
183.10283	4.0
185.11835	19.0
197.11806	10.9
201.11330	7.5
208.69138	1.5
209.15422	8.6
211.13385	2.8
213.11325	9.7
229.19547	3.2
247.20522	2.1
273.18622	8.2
291.19635	54.9
292.19968	5.8
309.17099	16.5
309.20728	54.6
309.91916	1.5
310.17529	2.2
310.21054	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82912	0.8
57.03432	1.4
59.01359	1.5
64.50116	1.0
69.03441	1.6
73.02953	1.0
82.87005	0.8
97.02966	1.2
97.06609	1.4
104.32716	0.8
109.06582	2.1
111.08166	31.9
112.08470	1.9
127.07630	1.6
127.30067	1.0
130.39690	1.0
153.12834	1.8
154.86530	0.9
166.55524	0.9
169.12331	8.7
181.12318	1.3
183.13866	1.5
197.11832	100.0
198.12190	7.5
199.13385	3.9
209.15439	2.1
211.13353	9.2
212.13756	1.0
221.11662	0.9
227.12871	3.6
229.32167	1.2
251.16428	1.1
263.20059	5.9
265.18024	3.9
273.18567	1.5
285.25381	0.9
289.55515	1.0
291.19629	22.4
292.19897	2.9
309.17264	3.1
309.20676	42.5
310.21045	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	9(S)-HPOT
Peak:m/z	Relative Intensity
54.98042	5.4
57.03453	9.9
59.01366	16.6
66.26608	5.1
69.98335	4.9
71.32684	10.7
82.83498	4.5
97.06583	13.3
119.08679	19.2
121.10229	54.0
125.09743	38.0
137.09726	6.9
147.08176	6.4
171.10252	40.0
181.12468	4.9
183.13960	6.0
185.11836	60.6
197.11794	20.6
197.43916	5.8
209.11809	7.8
209.15448	10.0
211.13307	18.4
223.13503	6.6
229.19643	7.5
247.20641	12.2
273.18689	10.7
274.61163	5.2
275.20203	10.3
291.19647	100.0
292.19797	7.0
309.17188	14.9
309.20694	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19910	0.8
53.19839	0.7
55.01870	1.1
57.03459	0.8
59.01367	2.8
69.03462	4.3
69.28775	4.3
69.29202	4.6
81.03433	0.9
83.04564	0.7
83.05040	2.6
83.82035	0.8
85.02960	3.5
89.63233	0.8
95.01398	1.6
95.05045	0.9
97.02960	35.9
97.06602	1.0
98.03303	1.3
99.00893	7.9
109.06560	1.3
111.08161	2.9
119.08692	4.5
121.10228	1.3
123.04576	1.2
125.09735	3.0
135.08147	1.0
137.06085	1.5
137.09744	15.8
138.10083	1.1
151.04028	17.9
151.07663	37.3
152.08449	33.6
153.08917	2.6
162.10461	1.3
163.11353	1.6
165.12756	1.1
167.10768	1.9
171.10289	32.3
172.10556	1.7
175.07693	1.7
177.12831	1.2
179.07080	0.9
184.07402	5.7
185.11897	5.7
190.09959	2.6
193.08754	2.4
193.12393	1.4
195.13922	1.9
197.11856	3.6
208.11060	3.8
209.15482	52.4
210.15797	4.5
211.13431	2.4
221.11867	3.7
239.12866	4.0
247.16974	3.5
247.20712	2.0
252.10069	9.7
253.10315	1.4
265.18045	11.5
266.18509	1.8
273.18652	5.1
291.16144	3.8
291.19632	29.3
292.20013	4.3
309.17041	100.0
309.20712	83.5
310.17386	12.4
310.21051	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	309.1189
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
51.36479	0.4
55.01863	0.9
57.03419	0.9
58.00583	1.6
59.01376	53.7
69.90652	1.6
69.91063	1.2
71.01382	29.2
71.05022	0.9
72.99314	2.3
73.02946	1.3
75.00880	4.9
83.01390	1.9
85.02949	5.1
87.00899	1.1
89.02448	26.8
95.01393	1.5
99.00883	1.3
99.04530	0.7
101.02446	16.6
101.06079	2.1
102.02751	0.5
106.47401	0.6
111.04519	0.8
113.01718	0.7
113.02464	9.7
119.03516	11.9
119.97401	0.5
121.61198	0.4
125.02522	0.5
129.05591	9.3
131.03493	1.1
143.03520	1.6
147.06650	8.0
149.04701	0.5
161.04570	0.6
174.18239	0.4
179.05602	1.9
204.08864	0.6
237.06105	2.3
309.11893	100.0
310.12219	6.7
326.13452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01859	1.2
57.03437	0.9
58.00581	2.1
59.01376	56.0
68.75765	0.5
69.84935	3.4
71.01385	30.0
72.01721	0.9
72.99295	1.9
73.02926	1.3
75.00857	0.8
83.01382	1.7
85.02953	6.1
87.00850	1.4
89.02451	32.0
95.01399	2.5
101.02453	19.8
112.84365	0.5
113.02458	11.0
119.03516	14.0
125.70176	0.5
131.03488	1.3
142.10652	0.6
143.03537	1.0
147.06639	2.4
147.86522	0.5
149.04576	0.7
153.44370	0.6
161.04556	1.0
179.05643	1.9
267.68436	0.6
288.16248	0.6
309.11899	100.0
310.12289	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	309.2071
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03434	1.5
59.01135	0.6
59.01379	7.1
61.98822	0.7
67.01875	1.8
70.96223	0.6
70.96585	1.7
79.60000	0.6
80.77601	0.6
93.07092	0.9
95.05000	0.9
96.89622	0.6
96.95984	1.4
97.06596	1.5
104.01556	0.7
111.08163	4.5
121.10236	8.7
123.08215	0.9
125.09722	8.1
126.10049	0.9
133.62410	0.6
137.09758	5.7
138.54509	0.6
167.10701	0.6
167.14444	1.3
171.10281	12.1
181.12282	0.7
184.32587	0.6
185.11826	8.0
188.35585	0.5
195.13899	1.5
197.11823	3.9
199.30537	0.6
203.95221	0.6
209.11760	1.1
209.15498	0.6
211.13400	56.6
212.13742	4.3
247.20824	1.2
261.74890	0.7
273.18594	1.1
291.19641	100.0
292.19968	11.2
309.17166	1.1
309.20676	8.2
310.21042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
54.44432	0.5
57.03428	1.4
59.01378	5.3
59.35084	0.5
61.98821	0.5
69.51560	3.0
69.51971	1.6
71.01370	1.3
83.05048	0.8
91.57354	0.6
97.06581	2.0
98.03771	0.5
98.70323	0.5
99.00887	1.0
99.08105	0.7
101.02409	0.8
111.08169	0.8
113.09761	2.8
115.07648	1.8
125.06098	1.3
141.09230	2.0
147.38890	0.5
151.04008	0.9
151.07642	2.6
152.08423	2.3
165.12871	3.6
167.10780	0.9
167.14395	2.2
171.10280	0.8
181.12335	4.0
183.13904	1.2
193.12334	2.0
193.16077	0.8
195.13837	2.5
209.15518	4.3
211.13350	3.7
213.15004	0.7
213.45079	0.6
221.15450	1.5
229.14369	1.3
239.12798	0.9
240.13609	2.2
247.20665	3.4
252.10121	0.7
265.21548	0.7
273.18634	2.6
281.21143	1.8
291.16171	1.0
291.19635	39.9
292.20032	5.3
309.17282	6.1
309.20679	100.0
310.17538	0.8
310.21030	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.5
57.03445	4.8
59.01371	13.6
61.98830	9.9
65.03963	61.1
68.01693	1.4
69.03437	1.4
70.79558	2.6
70.79894	2.7
71.01375	2.3
71.05024	41.3
83.05024	4.0
97.06598	70.8
98.06927	2.7
104.64502	1.4
119.08682	13.8
120.08999	1.5
121.06608	100.0
122.06955	4.7
123.08182	3.9
125.09734	41.2
126.10123	2.7
135.04575	2.5
137.09732	4.8
141.12872	2.2
163.04089	1.3
179.03525	2.6
185.11842	85.4
186.12175	5.0
191.14308	1.9
209.11823	38.8
210.12273	1.8
211.13379	34.8
212.13756	2.6
217.12393	1.3
235.13385	95.6
236.13713	8.7
245.18816	1.5
263.03610	1.3
289.18085	24.7
290.18533	2.3
307.15619	3.0
307.19110	35.2
308.19455	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.113
Annotation	Cl-Amidine
Peak:m/z	Relative Intensity
59.01369	1.2
60.81095	0.1
61.98821	0.2
69.41517	1.4
71.01345	0.2
77.48206	0.2
95.60652	0.1
111.08160	0.2
118.15980	0.2
150.28859	0.1
151.04050	0.5
151.07660	0.6
152.08403	0.4
186.39709	0.2
197.11803	0.2
206.33081	0.2
209.15508	0.7
210.06888	0.4
221.09677	0.8
223.07614	0.3
237.05556	0.6
238.06360	0.6
238.09995	0.6
241.05005	0.2
251.07164	0.5
254.09448	0.4
265.18158	0.3
266.06595	0.2
266.09436	1.2
267.07333	0.3
267.10193	2.0
268.10532	0.2
269.08209	0.3
270.05490	0.4
270.08746	0.4
279.06613	2.3
280.07401	6.4
281.07825	0.8
291.19617	0.5
293.08163	0.7
298.08569	0.2
305.07208	0.2
309.11301	100.0
309.20770	1.6
310.11652	12.5
310.17368	0.3
312.06308	3.0
313.06781	0.4
331.01675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01867	2.7
57.03440	5.1
59.01369	9.3
61.98812	1.8
65.03961	65.3
66.04285	1.1
69.03453	1.7
71.01382	1.3
71.05019	43.2
71.59019	1.5
72.05347	1.3
75.15500	0.8
83.05022	2.6
84.87118	1.0
93.03449	2.8
95.05063	1.6
96.96046	0.9
97.06596	77.2
98.06934	2.0
105.90114	1.0
107.04987	0.9
109.06577	1.7
117.07156	1.6
119.05065	1.5
119.08671	13.2
121.06608	100.0
122.06959	4.4
123.08162	4.2
125.09740	42.6
126.10057	2.0
132.34644	1.0
135.04480	0.9
135.08177	6.2
137.09743	5.1
139.11290	1.3
141.12851	2.5
145.02957	1.2
163.11331	1.8
167.14404	1.3
171.10300	4.5
172.68867	0.9
173.13345	1.1
179.03404	1.1
185.11838	83.5
186.12199	4.7
191.14380	1.2
209.11823	39.4
210.12151	2.9
211.13396	38.3
212.13745	3.1
217.12198	1.3
233.15501	2.1
235.13383	98.6
236.13690	7.5
245.19048	1.0
249.14978	1.2
263.16476	1.0
289.18091	24.9
290.18515	2.7
307.19131	35.9
308.19452	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	307.1913
Annotation	Soraphen O
Peak:m/z	Relative Intensity
57.03447	0.5
59.01130	0.4
59.01377	4.0
59.68153	0.3
65.27599	0.3
69.03461	0.5
70.76357	0.9
71.01375	0.4
71.05019	4.8
77.22269	0.3
80.02671	0.9
81.03448	1.9
83.05034	2.0
89.13607	0.3
95.05036	1.8
96.05248	0.3
96.96018	0.5
97.02940	0.3
97.06587	0.7
98.03754	1.9
106.04232	0.8
109.02960	0.7
109.06598	13.2
110.06941	0.8
111.04533	6.4
111.08152	1.1
112.05314	1.1
121.06594	0.8
123.08151	1.1
127.07661	4.0
135.04521	0.4
135.08189	0.7
137.06100	0.7
137.09731	0.9
143.10725	1.7
145.06590	1.7
147.08104	0.4
149.06029	0.8
149.09697	1.2
151.11259	0.5
167.10770	2.5
177.09261	0.4
177.12791	0.6
179.10776	1.3
181.12350	0.4
191.14384	1.0
195.13918	3.2
196.14194	0.3
200.43869	0.3
203.00092	0.3
207.17590	0.5
215.14447	0.5
233.15306	0.4
235.13361	1.5
243.17572	0.4
245.19131	4.8
246.19298	0.6
249.15030	0.4
251.16478	1.0
271.17050	1.1
273.14859	0.7
280.99927	0.3
287.16479	1.9
289.18069	100.0
290.18420	10.4
307.15720	0.4
307.19144	9.8
308.19403	1.4
308.22708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Ostopanic acid
Peak:m/z	Relative Intensity
50.94279	1.8
57.02591	2.1
57.03447	11.9
59.01380	20.0
69.03452	4.2
71.01382	17.9
71.05043	2.4
80.02660	2.5
81.03466	4.2
83.05030	8.0
85.02962	2.7
95.05028	6.3
97.06593	30.1
98.19791	4.1
104.17386	2.4
108.02176	2.1
109.02971	2.8
109.06586	5.3
111.08171	12.5
120.61094	2.2
123.04506	2.3
125.09725	6.0
127.11275	2.0
135.04608	2.4
137.06076	4.8
137.09724	5.0
139.07680	2.3
141.56877	2.1
149.09785	4.6
151.11304	27.5
153.09142	4.5
153.12822	5.0
155.10791	13.6
163.11314	7.7
165.12849	32.4
166.10030	2.7
166.13184	2.9
167.10751	6.9
177.12798	3.6
179.10815	12.3
181.12360	44.7
191.10759	23.2
191.14398	8.3
195.10324	3.0
197.11794	4.8
199.56987	2.2
205.12234	3.1
209.11835	100.0
210.12175	7.3
211.13376	10.9
230.43901	3.4
239.09210	2.9
245.19099	37.9
246.19383	3.8
261.18509	4.4
263.20132	8.4
271.17017	4.8
279.19574	6.5
289.18057	50.5
290.18396	2.5
307.19135	94.5
308.19385	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	13.4
59.01382	19.2
61.98823	3.2
65.68304	2.0
69.03447	4.9
69.46092	3.1
69.46442	21.3
71.01385	16.7
81.03453	2.1
83.05021	9.4
95.05033	6.5
97.06600	24.2
98.20730	2.3
107.08618	2.3
109.06592	7.5
111.04465	2.2
111.08167	18.0
121.06618	7.2
123.04533	3.3
123.08157	2.9
125.09718	9.0
133.10187	2.4
137.09721	5.8
138.06862	2.9
139.07657	2.9
149.09700	4.9
151.11295	35.8
151.92303	2.2
153.09221	8.3
153.12843	5.5
155.10796	11.7
161.09782	2.1
163.11292	13.2
165.12848	37.4
167.10770	10.1
169.12335	4.2
171.10257	14.2
177.09167	3.4
177.12798	4.0
179.10757	15.6
181.12349	48.5
182.12697	4.1
185.11842	19.6
191.10806	26.0
191.14435	7.3
195.10201	2.4
205.12308	4.1
209.11830	100.0
210.12193	8.8
211.13387	10.1
224.10567	2.2
227.12871	3.5
237.18953	2.4
245.19081	40.3
246.19395	5.5
261.18469	5.5
263.20157	15.0
271.17142	5.4
279.19626	9.3
289.18036	48.0
290.18457	6.0
307.19131	84.4
308.19495	10.8
325.47607	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	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
52.63146	0.6
52.90359	0.8
53.52007	0.7
55.01884	1.1
57.03442	1.3
58.00601	1.3
59.01378	40.4
60.01716	0.9
67.01850	0.8
69.03458	1.3
69.13336	0.7
69.83034	0.6
71.01385	23.6
71.59174	1.0
72.98878	0.6
72.99294	1.6
73.02962	4.2
75.00889	0.7
79.30766	0.8
82.18279	0.7
83.01385	3.9
85.02948	8.5
87.00877	2.1
89.02451	16.3
90.93224	0.7
95.01422	1.6
97.02969	1.8
99.00916	1.4
99.08168	19.9
101.02451	18.9
111.00882	1.1
112.01667	0.9
113.02473	9.0
119.03507	5.9
119.04970	0.7
127.07673	3.3
129.09216	1.6
135.04536	1.4
140.00941	0.9
141.09210	1.3
143.03519	1.1
145.02962	1.4
145.08722	56.6
146.09038	2.8
153.67700	0.7
161.04567	3.2
179.03510	1.8
179.05559	0.9
187.09708	0.9
201.34647	0.7
232.81949	0.8
246.74294	0.8
246.77180	0.7
247.95618	0.7
307.08188	6.5
307.13992	100.0
308.14343	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	6.2
59.01380	9.5
69.03451	1.3
69.44848	2.7
69.45264	6.2
71.01381	1.5
71.05032	1.5
71.62424	0.9
80.02657	2.3
81.03455	7.0
83.01383	10.2
83.05025	4.9
87.65064	0.8
93.03396	1.1
95.05034	4.4
97.02969	6.3
97.06586	12.7
106.04266	2.0
107.05037	1.1
108.02209	1.2
109.02950	1.3
109.06606	2.1
111.08102	1.4
121.06596	3.4
123.04530	11.5
123.08154	4.3
125.06127	1.2
125.09735	21.5
126.10200	1.2
135.08165	4.0
137.06070	1.2
137.09731	15.9
139.11339	1.3
141.09196	1.3
141.12856	3.9
142.02736	1.8
142.60992	1.0
149.06110	1.9
149.09674	1.0
151.11311	1.5
160.09036	1.0
161.09773	2.0
162.10408	1.4
163.07677	2.6
163.11288	17.3
164.11578	1.3
165.09164	1.5
165.12851	6.0
167.10767	2.9
171.10275	1.6
175.11238	1.2
177.12849	1.5
179.10793	2.6
181.12334	4.1
185.11826	21.7
188.90874	1.0
191.10791	5.2
191.14423	19.4
192.14732	1.3
207.10263	12.4
209.11826	54.2
210.12207	4.1
211.13432	2.7
217.15938	2.4
219.13684	1.0
225.11302	11.2
226.11855	2.4
228.01434	0.9
235.20697	1.0
237.75131	1.1
243.17567	1.1
245.19083	47.4
246.19518	5.4
263.20078	3.4
271.17105	5.7
289.18082	100.0
290.18423	12.4
307.19125	54.3
308.19345	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	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.5
59.01376	100.0
60.01709	1.3
60.03764	0.3
69.40674	1.2
69.41092	2.2
71.01387	6.3
72.99335	0.4
73.02957	0.8
74.02503	0.4
83.01411	0.4
85.02961	2.4
87.00887	0.5
89.02447	3.9
95.01422	0.5
97.03679	0.3
98.19907	0.8
99.00870	0.4
101.02446	3.8
104.20461	0.4
113.02464	2.8
119.03518	1.9
127.07670	1.0
133.02982	0.4
135.04536	7.2
143.04633	0.4
145.08725	1.1
159.10275	0.4
161.02475	1.1
161.04573	1.3
170.52438	0.3
179.03494	6.8
179.05678	0.5
180.03729	1.0
247.11884	1.0
296.34177	0.4
300.09381	0.4
307.08572	2.2
307.14008	11.6
308.14371	0.9
309.34521	0.3
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
59.01371	0.2
61.98829	100.0
62.98533	0.3
63.88398	0.3
63.99261	0.3
69.88575	1.2
75.88126	0.2
88.80354	0.2
108.30663	0.2
121.03006	0.4
161.91310	0.2
161.99001	1.5
162.98586	0.7
163.98740	0.6
164.96407	64.1
165.96478	4.4
205.99825	0.2
206.97458	25.2
207.97560	2.0
264.96594	0.3
276.75085	0.2
300.46735	0.2
306.97531	23.2
307.97635	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
57.55213	1.4
58.00587	2.2
59.01374	79.6
61.98822	4.4
69.98437	2.5
69.98852	4.6
71.01380	55.6
72.99306	2.7
73.02937	8.2
79.18053	1.3
83.01405	4.1
85.02953	17.3
87.00878	2.7
89.02448	43.6
95.01389	4.7
99.00883	2.3
101.02441	33.8
106.31532	1.3
112.55268	1.7
113.02460	22.2
119.03503	21.3
127.04015	11.5
131.03491	1.8
135.04506	3.6
143.03546	2.0
144.04567	4.1
145.04942	6.2
158.05705	1.4
161.04576	11.1
162.43700	1.7
177.63861	1.4
179.03604	3.3
179.05603	3.9
206.41689	1.5
207.54785	1.5
307.10349	100.0
308.10617	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	305.1757
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01870	1.4
57.03422	2.9
59.01378	5.1
60.59204	0.9
65.03948	3.0
67.38333	0.9
68.97387	0.9
70.50653	3.0
71.05022	9.0
79.05531	11.8
83.05026	2.2
93.03461	1.5
95.05035	2.0
97.06601	16.1
104.86875	0.9
106.04248	9.3
107.05037	2.0
109.06592	3.2
119.05035	1.2
120.05831	4.9
121.06610	3.6
123.08191	6.8
125.09734	18.9
126.10048	1.1
133.06609	1.9
135.08171	100.0
136.08517	4.9
137.09695	2.7
151.11275	3.1
162.06874	1.7
163.11272	1.1
177.12778	1.1
185.11783	3.1
189.12817	2.0
205.15955	5.3
207.10294	1.9
209.11838	2.9
218.97968	0.9
221.11801	1.6
231.13930	1.2
249.14934	45.8
250.15193	4.4
261.18555	1.2
263.16473	2.3
269.15387	1.5
277.17966	1.9
287.16479	11.3
288.16705	1.7
305.17548	92.0
306.17868	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	305.1758
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.90001	0.9
57.03441	1.4
59.01370	7.5
61.98812	2.7
63.40766	0.9
69.03455	1.2
71.05023	44.5
71.47167	2.4
79.87527	0.9
81.03452	5.0
83.05007	2.5
93.03463	3.0
95.01434	1.2
95.05031	21.4
97.06629	1.3
98.03719	1.0
106.04263	3.3
107.05028	2.9
109.02923	3.0
109.06606	16.4
111.04549	2.4
111.92113	1.2
119.05064	1.8
121.06625	6.4
122.03738	1.1
123.08132	1.5
127.07687	2.5
131.04973	1.2
133.06531	1.2
135.08157	3.7
136.05302	1.8
139.07687	1.6
147.04535	1.2
147.08170	3.5
149.06102	1.5
149.09717	1.3
150.06863	2.9
161.06081	3.0
165.09233	14.5
168.13977	1.8
169.14314	2.3
189.12871	16.7
190.13069	1.1
192.51877	1.1
203.14287	1.2
205.15965	10.1
213.46240	1.1
223.61572	1.0
231.13908	3.3
233.11755	9.1
234.12271	1.2
243.17465	11.5
244.17847	1.3
245.15422	1.7
249.14952	13.6
250.15218	2.0
261.18408	2.5
263.16443	1.6
269.15427	2.5
287.16519	82.4
288.16943	10.3
289.14319	1.6
305.17584	100.0
306.17896	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	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59090	2.0
57.03465	2.9
58.00585	4.2
59.01374	100.0
60.01706	2.7
67.75526	2.6
70.70630	2.2
71.01377	38.5
72.82401	2.3
72.99310	51.4
73.02965	2.3
75.00874	22.2
79.05528	5.5
83.30399	2.3
85.02963	3.7
87.00887	4.4
89.02450	68.2
93.03448	3.1
93.07184	2.6
95.05020	4.4
97.06592	26.5
99.00901	18.6
105.07105	3.8
106.04250	2.8
107.05035	8.0
108.02222	4.6
109.06583	5.4
111.00853	4.7
111.08183	19.6
112.98795	13.6
115.00420	3.3
117.01950	47.2
120.05832	3.5
121.02962	3.7
121.06618	18.1
123.04554	3.0
123.08170	6.8
124.01708	3.1
124.98797	5.9
125.06073	14.9
135.03004	17.1
135.04535	4.6
135.08195	5.0
137.02475	7.9
137.06096	4.6
139.07639	19.5
142.99875	97.8
144.00211	4.5
149.06094	27.4
153.05579	26.4
154.05998	2.9
166.06361	3.0
167.07138	43.6
173.00912	24.5
173.23003	2.4
174.01691	31.8
179.07201	3.8
181.08708	15.4
183.06592	3.2
193.05064	7.9
202.96097	2.5
209.08176	2.8
211.06104	7.5
213.07713	3.4
225.07681	43.1
226.08029	3.9
236.57990	2.9
303.04123	8.0
304.15936	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	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	34.1
59.03313	0.8
68.12030	0.6
68.18558	0.5
69.39500	3.9
69.39924	1.9
85.93040	0.5
116.06355	0.6
135.71259	0.6
168.13948	100.0
169.14308	6.0
212.12962	3.1
304.19135	0.9
309.47241	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1143
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
54.75508	0.3
59.00582	0.3
59.01384	2.2
59.04870	0.3
64.87064	0.3
65.99838	0.6
69.03456	0.6
71.01388	1.2
71.58990	0.4
71.59363	0.4
73.02935	0.4
75.00890	0.6
79.95748	0.3
82.02977	3.9
85.02946	1.2
85.82489	0.3
87.00869	0.4
92.05062	0.4
94.02998	1.5
96.04563	4.2
97.02971	0.5
99.00911	0.3
101.02446	0.5
109.73899	0.3
111.00906	0.3
113.02473	0.3
120.04581	1.0
122.03764	4.0
122.06165	2.0
129.01942	0.9
135.03014	0.3
136.04073	1.3
138.05629	100.0
139.06009	4.3
150.05579	0.6
155.10770	0.5
161.04723	0.8
174.05647	0.4
178.08731	0.5
188.07140	0.8
190.08800	0.9
195.70030	0.3
199.54272	0.3
202.08708	0.7
216.10327	0.7
217.06111	1.0
218.07016	1.9
218.11893	1.2
224.08072	0.6
233.09294	4.0
238.78859	0.4
244.09753	1.0
245.09721	0.4
246.09383	0.8
261.12421	12.0
262.12738	1.1
287.10385	1.0
290.86392	0.3
305.11414	19.5
306.11780	1.9
319.60904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.3
57.03460	0.4
59.01374	7.2
70.60463	1.1
71.01381	6.2
73.02950	2.1
83.01392	0.8
83.96734	0.2
85.02958	1.1
87.00903	0.3
89.02444	4.4
93.03465	24.6
94.03797	1.1
97.02953	0.5
101.02450	4.6
107.05076	0.3
109.02985	0.6
113.02454	0.9
116.07304	0.3
119.03530	0.9
123.00919	0.5
124.01663	1.0
137.02458	100.0
138.02794	5.6
139.03027	0.6
139.04016	2.4
151.00407	0.5
153.02003	0.5
163.06158	1.2
165.04066	0.5
181.07196	10.2
182.07410	0.4
271.05963	0.7
286.08554	0.5
292.96329	0.3
301.09195	4.1
302.09543	0.4
323.76117	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08595	0.2
59.01381	1.2
61.76997	0.2
69.44733	0.4
69.45138	1.5
72.90927	0.2
89.02408	0.5
91.03999	0.7
97.06567	0.2
98.19886	0.3
107.01403	0.3
146.37755	0.2
151.00323	0.6
165.12883	3.5
183.13914	100.0
184.14255	7.5
193.18846	0.2
209.11836	2.8
221.19164	0.6
227.12889	4.9
228.13359	0.3
273.04004	0.5
283.19061	0.4
300.99945	2.4
301.03647	1.5
301.16635	13.8
301.20175	1.9
302.16956	1.4
302.20111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
57.03443	16.2
57.51467	0.4
59.01373	3.8
63.02393	0.6
65.00317	3.8
68.99817	0.6
71.01376	1.4
73.02959	0.6
79.95749	0.6
80.96522	1.4
81.03461	1.3
83.01388	6.9
85.02946	1.5
87.00880	0.7
93.03464	1.1
95.01395	0.6
97.02985	0.5
98.19840	1.0
99.00892	0.7
101.02461	0.9
107.01405	2.4
108.02192	0.6
109.02959	4.2
111.00900	1.4
113.02469	0.9
116.62746	0.4
118.98083	0.6
120.99689	0.6
121.02950	2.5
122.03764	0.7
123.04552	6.0
123.82668	0.4
124.01695	1.6
125.02457	100.0
126.02789	3.5
133.02951	0.8
135.04559	0.8
137.02469	2.4
139.00395	0.6
139.04027	1.9
140.07181	9.6
141.01933	1.9
141.05704	0.6
141.07535	9.7
143.05064	0.6
145.02988	0.9
146.03706	0.7
147.04518	1.7
149.02441	5.1
150.03242	5.9
151.00377	8.2
151.04013	8.1
152.01160	3.9
153.01945	10.1
161.02484	2.1
161.06070	0.9
163.00389	0.8
163.03865	0.5
164.04691	0.5
165.01886	0.7
165.05579	0.9
169.01425	0.5
171.04523	1.7
173.02451	1.0
173.06096	1.3
174.03239	3.5
175.04010	17.9
176.04413	1.2
177.01935	20.6
178.02306	1.0
178.99854	7.9
180.00487	0.6
181.01425	2.0
185.06102	1.0
186.93759	0.4
188.04768	2.5
189.05592	4.9
190.05856	0.7
191.03526	0.8
193.04979	3.2
197.06119	0.8
198.03239	0.8
199.02191	0.6
199.04008	11.0
200.04439	0.9
201.01976	3.1
213.05589	1.5
215.03532	0.5
215.07042	0.9
216.04303	2.2
217.05028	12.7
219.02957	1.2
231.06578	1.7
235.06042	2.2
241.05058	6.2
243.02977	1.6
257.04575	1.0
259.06067	5.4
260.06467	0.8
267.02640	0.5
275.05627	5.0
285.04028	66.4
286.04358	6.6
303.05142	11.9
303.09079	2.1
303.14627	1.1
304.05417	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00335	0.2
59.01379	2.0
60.01716	0.2
68.01424	0.4
68.38879	0.2
69.46580	1.4
71.01376	0.6
73.99522	0.2
75.19616	0.2
89.02456	0.6
93.03469	1.3
94.03797	1.2
95.05042	0.2
97.90173	0.2
98.20628	0.4
101.02482	0.2
115.96638	0.2
119.03535	0.3
120.05332	0.3
122.02493	0.7
122.06178	0.2
123.03281	8.7
137.02477	1.8
137.04852	0.9
138.02843	2.4
138.05629	100.0
139.05988	3.7
152.07167	0.6
165.03140	0.2
165.04291	1.0
167.05875	0.2
180.06647	1.9
207.87590	0.2
234.23885	0.2
300.10883	7.8
301.11053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84399	0.3
59.01374	88.8
60.01710	1.3
70.03804	1.6
94.79740	0.3
108.16585	0.3
114.98891	0.6
115.02515	9.5
116.98649	0.4
117.00446	11.0
118.00550	0.7
127.55598	0.3
141.00465	0.9
156.99965	0.6
157.03560	2.0
159.01503	100.0
159.97389	0.5
160.01625	8.1
185.44351	0.3
193.63455	0.4
201.02548	22.4
202.02725	2.5
217.00545	1.2
239.37662	0.3
259.01553	3.4
260.01672	0.8
263.50943	0.4
301.02652	58.0
302.02780	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	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.2
67.10778	0.1
68.99831	0.2
69.03468	0.6
69.27911	1.1
69.28333	0.5
77.03986	1.2
79.01878	0.2
83.01387	1.2
87.61884	0.1
93.03470	1.7
95.01416	0.4
97.02959	3.7
109.02950	0.8
121.02967	5.0
123.00887	0.2
137.02460	22.4
138.02771	0.6
165.01942	100.0
166.02271	4.3
265.81012	0.2
301.03513	5.4
302.03940	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54155	0.3
53.64555	0.4
59.01371	1.7
65.03612	0.3
67.01875	0.4
68.99826	0.4
69.03456	0.6
70.79699	1.0
77.03960	1.0
83.01369	1.5
86.99807	0.3
93.03463	2.1
95.01390	0.6
96.46652	0.3
97.02958	3.1
103.31286	0.3
107.01399	0.6
109.02966	1.5
121.02957	5.9
122.03269	0.5
123.00911	0.5
137.02458	20.9
138.02803	0.4
139.05882	0.3
151.00372	1.5
152.01201	0.4
155.10855	0.3
161.02400	0.3
165.01938	100.0
166.02252	4.9
178.99826	0.6
183.13879	0.6
200.59468	0.3
203.38535	0.3
245.04567	0.9
273.03989	1.2
300.99875	3.3
301.03513	7.2
301.06906	0.5
301.16843	0.4
301.20255	0.3
302.03937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	0.3
56.73981	0.2
57.71759	0.1
59.01375	2.8
68.01413	2.4
71.01385	0.8
71.56696	0.3
73.02957	0.2
85.02946	0.3
87.00912	0.2
89.02467	0.5
94.06615	0.3
95.05035	0.2
96.04569	0.5
101.02415	0.2
109.01715	0.4
110.06127	0.4
116.35928	0.2
121.03014	0.2
122.02505	0.7
122.03296	0.2
122.06128	0.3
123.00957	0.3
123.03279	5.5
124.04079	0.3
124.07706	0.8
125.06176	0.2
136.07701	0.6
137.02507	0.2
137.04842	1.0
138.05626	100.0
139.04071	0.3
139.05968	3.8
140.07138	0.3
142.41225	0.2
149.43109	0.2
150.05598	0.2
152.03531	0.3
152.07184	1.7
166.05154	0.2
166.08748	0.5
167.05875	1.9
168.06664	0.7
171.21494	0.2
180.06665	5.0
210.07719	0.6
222.07793	0.2
240.08792	0.3
300.10886	18.3
301.07379	0.5
301.11261	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1652
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
50.23143	0.4
58.29443	0.4
59.01377	1.7
61.98816	1.3
71.58091	0.7
71.58508	0.6
91.52547	0.4
93.03466	0.5
99.92603	0.4
117.03473	11.0
119.05032	3.1
121.02963	2.8
123.04536	0.7
133.03035	0.7
137.02496	1.1
138.05624	1.6
144.14189	0.4
145.02965	55.1
146.03293	2.9
149.52296	0.4
162.03186	1.0
163.04045	1.5
164.87791	0.4
190.10181	0.5
217.00383	0.6
255.87830	0.4
299.16516	100.0
299.25671	4.2
300.13635	0.9
300.16858	12.2
309.42633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.259
Annotation	(R)-10-Hydroxystearate
Peak:m/z	Relative Intensity
54.48393	0.6
59.01374	100.0
60.99293	0.8
61.98825	0.9
62.39175	0.7
72.37346	0.6
88.75133	0.7
114.25618	0.7
116.24479	0.7
117.98309	0.6
121.85406	0.7
138.05598	1.7
141.04791	0.7
145.02956	1.4
231.63556	0.7
299.16452	2.5
299.25885	66.8
300.26218	6.7
304.23489	0.7
312.88126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.63114	0.2
59.01367	1.1
65.03961	0.3
70.01093	1.3
71.01392	1.2
73.02946	0.5
85.02969	0.8
89.02473	0.3
93.03465	87.2
94.03799	2.9
95.01363	0.3
100.04182	0.2
101.02483	0.3
105.40361	0.3
113.02449	0.3
121.02943	0.4
133.47340	0.2
137.02458	100.0
138.02798	4.1
172.47743	0.2
179.03583	0.4
190.07378	0.2
191.40811	0.2
225.60692	0.2
299.07813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
58.00590	4.0
59.01378	78.5
60.01724	1.3
69.70616	3.2
69.71049	3.2
71.01385	40.5
72.99311	2.2
75.82774	1.0
77.14990	0.8
83.01399	2.7
85.02956	8.4
85.40909	0.9
87.00871	1.3
89.02454	38.7
93.03465	30.2
93.44308	0.9
95.01398	4.1
99.00871	1.1
101.02442	19.5
107.05032	1.4
113.02460	17.2
115.55016	0.9
119.03509	12.1
121.03011	4.4
131.66463	0.9
135.04491	2.2
136.01666	9.1
136.05295	1.7
137.02461	100.0
138.02792	5.6
138.05597	0.9
143.03535	1.1
149.02458	1.4
149.36810	0.9
151.04015	6.2
161.04660	1.1
179.03513	46.9
180.03886	3.2
209.04556	5.5
239.05583	19.0
240.06084	1.1
269.76410	0.9
299.07718	94.0
300.08066	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	299.0772
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
51.89788	0.8
57.03440	1.8
57.45554	0.8
59.01375	8.1
69.47828	3.0
69.48257	4.0
71.01387	10.8
71.06301	0.8
72.99296	1.7
73.02945	1.4
75.00871	7.6
85.02961	4.8
87.00879	3.0
89.02503	1.1
93.03468	47.4
94.03804	2.2
99.00880	3.3
121.02970	24.4
122.03326	1.7
127.32214	0.8
129.01958	5.6
135.04491	0.8
137.02460	100.0
138.02870	4.8
138.05745	1.2
139.11316	1.2
149.02463	0.8
151.04010	7.4
159.03009	2.2
177.04066	27.9
179.03500	6.6
197.08528	1.0
210.08252	2.3
242.70882	0.9
243.12358	1.5
255.02815	1.0
299.07718	13.0
300.08417	1.7
308.17172	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03436	0.8
57.43147	0.4
59.01376	5.2
70.58349	0.8
70.58768	1.2
85.06584	0.4
113.09744	0.7
125.09750	0.7
135.31616	0.4
155.10774	0.5
171.10275	15.4
172.10583	1.0
179.14488	0.5
183.10295	3.2
184.10674	0.5
195.13905	8.8
196.14267	0.8
202.84225	0.4
210.81801	0.5
242.55887	0.4
259.20474	0.6
277.21722	27.4
278.22110	3.2
295.22787	100.0
296.23145	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	297.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.3
59.01376	41.8
71.01382	28.8
71.33492	2.1
72.99316	2.9
73.02943	5.3
75.00870	18.2
78.30659	1.0
78.95904	14.0
83.01388	2.8
85.02950	6.7
87.00864	6.2
89.02446	26.8
95.01387	1.1
99.00877	3.4
101.02445	19.3
102.02769	1.0
113.02435	9.6
115.00353	6.9
117.01942	2.6
119.03494	9.9
120.01030	0.9
125.70297	0.9
133.01430	3.8
143.03598	1.4
161.04556	1.1
179.05588	1.0
181.07176	35.1
198.90535	2.7
210.92818	1.0
215.04869	0.9
222.98685	1.4
223.98633	1.2
237.06223	5.3
254.91711	1.5
278.87177	9.5
279.87167	1.3
296.88162	5.4
297.08252	100.0
298.08591	7.4
317.07547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.3
59.01376	41.8
71.01382	28.8
71.33492	2.1
72.99316	2.9
73.02943	5.3
75.00870	18.2
78.30659	1.0
78.95904	14.0
83.01388	2.8
85.02950	6.7
87.00864	6.2
89.02446	26.8
95.01387	1.1
99.00877	3.4
101.02445	19.3
102.02769	1.0
113.02435	9.6
115.00353	6.9
117.01942	2.6
119.03494	9.9
120.01030	0.9
125.70297	0.9
133.01430	3.8
143.03598	1.4
161.04556	1.1
179.05588	1.0
181.07176	35.1
198.90535	2.7
210.92818	1.0
215.04869	0.9
222.98685	1.4
223.98633	1.2
237.06223	5.3
254.91711	1.5
278.87177	9.5
279.87167	1.3
296.88162	5.4
297.08252	100.0
298.08591	7.4
317.07547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
55.01875	0.5
57.00926	0.3
59.01383	3.7
65.03954	0.4
66.57900	0.2
70.10271	1.2
71.01383	3.7
73.02950	0.6
83.01389	0.4
85.02961	1.6
89.02450	2.4
90.86649	0.2
93.03468	59.2
94.03807	2.1
98.20644	0.4
99.00933	0.3
101.02453	1.9
113.02431	1.3
119.03531	0.8
119.05041	1.1
121.02967	0.8
123.03295	2.7
136.05281	0.3
137.02463	100.0
138.02805	4.7
138.05629	35.3
159.02968	0.3
161.04524	0.7
179.03537	0.6
180.06686	0.8
239.05804	0.4
261.64578	0.2
299.07666	1.6
300.07727	0.4
300.10892	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	299.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03451	6.0
58.00581	0.9
59.01375	9.7
68.99825	1.0
69.03461	1.1
69.43975	0.6
69.44574	4.9
71.01378	11.0
71.53522	0.6
72.99302	2.5
73.02943	0.7
75.00875	20.8
77.95352	0.6
83.01392	1.4
84.02184	1.4
85.02954	12.6
87.00880	9.4
87.04483	0.7
89.02455	3.4
97.02985	0.8
99.00877	5.7
101.02454	1.6
111.00863	0.7
112.40063	0.6
116.13329	0.6
121.02969	93.2
122.03294	3.9
129.01965	13.6
131.03561	0.9
135.04561	3.5
155.52098	0.6
159.02945	1.2
162.13467	0.6
177.04056	100.0
178.04382	3.9
181.75954	0.6
281.06613	1.0
299.07712	49.7
300.07999	5.0
315.32465	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30804	0.3
54.44473	0.4
59.01378	100.0
60.01715	1.0
62.29021	0.3
62.50906	0.3
69.35046	1.7
69.35472	2.3
71.01368	0.4
73.02983	0.4
88.41982	0.4
98.19820	0.7
101.02496	0.8
130.57552	0.4
140.68500	0.4
146.87732	0.3
153.39526	0.4
157.27150	0.4
161.04599	0.9
235.11922	4.0
290.23404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
57.03447	1.2
58.58630	1.0
59.01379	22.8
61.98824	2.8
65.03159	1.1
65.62241	1.0
66.92195	1.1
70.46609	3.5
71.01362	1.9
73.02927	1.2
91.59122	1.1
97.48960	1.1
98.20547	1.8
101.02467	1.7
113.09719	2.6
143.10466	1.0
171.61922	1.1
179.14360	1.2
183.13887	2.4
195.13918	19.8
196.14111	1.4
238.31993	1.2
277.21719	16.9
278.21863	1.4
295.22784	100.0
296.23114	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86654	0.2
55.01881	1.2
56.99806	0.2
57.03448	2.7
58.00594	2.6
59.01376	74.6
60.01719	1.1
60.99302	0.4
61.98857	0.2
63.97356	0.2
68.99541	1.0
69.03458	0.8
70.08362	0.9
70.08988	0.2
71.01382	40.8
71.05016	1.3
72.01719	0.7
72.99311	4.1
73.02946	4.9
73.58567	0.2
75.00875	19.8
76.01205	0.2
81.03493	0.2
83.01389	2.9
84.02205	0.3
85.02954	16.9
86.00105	0.3
86.03302	0.6
87.00883	3.2
87.04522	1.2
88.98822	1.5
89.02448	39.5
90.02799	0.7
95.01395	3.3
97.02969	1.5
98.19930	0.2
99.00887	1.9
101.02451	26.5
102.02804	0.6
103.00393	1.5
111.00897	0.6
112.98743	3.4
113.02458	15.4
114.02808	0.5
115.00397	1.5
115.04020	9.4
116.04340	0.4
117.01953	2.1
119.03513	17.8
125.02458	0.4
129.01945	1.4
130.99854	0.3
131.03525	2.3
133.05075	8.4
142.99879	0.2
143.03473	2.0
145.01436	0.3
145.05078	0.8
149.04587	1.1
159.03000	1.3
161.04562	3.8
162.05008	0.2
173.00943	0.2
175.06024	0.2
177.04007	0.6
179.05640	2.3
181.07231	0.5
188.46658	0.2
195.05109	5.3
221.06741	1.4
235.08113	1.5
237.06148	7.4
238.06450	0.6
251.07649	0.3
256.27631	0.2
277.09161	0.4
295.10321	100.0
296.10684	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.3
55.63495	0.6
57.03438	0.8
57.86918	0.6
58.00582	2.8
59.01376	72.9
60.01707	0.9
68.94284	0.6
70.94163	1.7
71.01383	37.5
72.99314	2.4
73.02953	1.8
75.00854	0.7
83.01389	1.6
85.02962	6.8
87.00890	1.5
87.27180	0.8
89.02448	44.4
95.01394	2.9
99.00868	1.0
101.02450	21.9
102.02761	0.9
113.02449	13.3
115.03938	0.7
117.05603	1.0
119.03515	19.3
131.03508	1.6
133.05011	1.1
133.08716	0.6
143.03510	1.9
144.14478	0.7
149.04572	1.3
158.62793	0.7
161.04553	2.9
177.04057	1.0
179.05568	2.1
184.47925	0.8
295.10339	100.0
296.10727	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74384	0.5
55.01873	0.8
57.03443	1.4
58.00589	3.5
59.01378	70.1
60.01711	1.2
66.75970	0.4
71.01384	35.0
71.05023	0.5
71.57231	0.5
71.57655	0.8
72.01738	0.6
72.99310	2.5
73.02943	2.7
75.00881	8.5
75.83665	0.4
77.33792	0.4
83.01389	2.0
85.02953	9.4
87.00871	1.8
89.02450	41.4
90.02791	0.6
95.01414	2.3
101.02451	23.1
102.02794	0.7
103.00397	1.0
112.98843	1.1
113.02457	13.6
115.00385	0.7
115.04039	3.7
117.01962	1.2
119.03509	18.6
120.03880	0.5
129.01950	0.6
131.03526	1.5
133.05109	2.8
143.03500	1.7
149.04591	1.0
155.42603	0.5
159.02934	0.9
161.04572	2.6
179.05621	2.3
195.05138	3.2
206.34804	0.5
237.06209	3.6
295.10333	100.0
296.10693	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	293.212
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.89215	1.2
53.58057	0.9
58.47765	0.9
59.01367	3.1
68.13927	1.1
69.47930	8.0
77.61610	0.9
83.05052	1.2
86.94611	1.0
121.09359	2.2
121.10239	36.6
122.10574	2.4
123.36134	1.0
125.09731	1.9
127.85230	1.0
141.12914	1.1
171.10278	65.6
172.10651	3.9
177.16512	1.2
185.11835	3.5
216.33745	0.9
231.21135	5.2
275.20135	100.0
276.20444	11.9
290.98041	1.2
293.21204	57.5
294.21570	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	293.2121
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.16892	0.5
53.54764	0.5
56.02716	0.7
59.01373	0.9
76.41226	0.5
95.69411	0.6
95.96441	0.5
98.19821	1.3
113.09718	0.7
113.33274	0.6
143.41983	0.6
179.14403	1.3
183.66092	0.6
195.13905	11.6
196.14478	1.2
205.12297	1.2
207.16385	0.6
211.13318	0.8
223.13387	10.8
224.13890	1.0
228.13623	1.1
256.13153	4.1
265.21698	0.6
275.20160	7.7
276.20609	0.8
292.92813	0.6
293.21207	100.0
294.21561	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03183	0.5
56.86221	0.5
57.03447	4.5
59.01378	3.6
61.98822	1.4
68.51647	0.6
71.01379	1.3
81.55045	0.5
96.96010	1.4
97.06643	0.9
113.09734	19.3
121.10239	0.8
135.11763	0.7
139.11273	2.0
149.09772	0.9
167.10779	2.4
171.10286	2.9
177.12842	1.0
179.10800	1.8
185.11887	1.0
195.13942	2.8
199.90494	0.6
203.90416	0.5
220.14789	1.3
221.15450	2.5
229.86063	0.8
236.10507	1.1
249.22247	2.6
275.20178	4.3
276.20590	0.6
281.83548	0.6
293.08859	7.1
293.21207	100.0
294.08997	0.7
294.21588	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.3
59.01366	1.0
61.31190	0.3
61.98838	0.4
65.51585	0.4
69.41459	2.9
74.83916	0.3
85.91527	0.3
93.03452	0.3
96.96012	0.4
97.06588	0.9
98.20625	0.8
108.51542	0.3
110.57133	0.3
123.08173	0.9
125.09749	4.5
141.12852	1.3
149.09711	1.7
151.11266	0.4
183.13826	0.3
185.10231	0.7
185.11830	8.5
197.11882	2.1
219.98874	0.3
220.14644	0.6
221.15430	0.9
225.52989	0.4
236.10483	0.6
249.22260	1.0
275.20172	0.5
288.75528	0.4
293.21198	100.0
294.18256	0.5
294.21555	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	294.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.5
57.03448	4.5
57.57887	0.3
58.00593	1.0
59.01376	19.4
67.01877	0.4
68.01402	1.2
68.99828	0.5
69.03450	1.0
69.62793	1.4
69.63225	1.0
71.01382	95.8
72.01729	1.8
72.99314	1.4
73.02949	29.6
74.03294	0.4
75.00874	1.8
81.03458	0.7
83.01394	9.9
84.02183	0.8
85.02956	40.3
86.03311	0.8
87.00896	3.2
89.02452	5.5
95.01392	7.2
97.02945	2.3
98.19880	0.7
99.00245	0.6
99.00889	11.2
101.02451	47.7
102.02802	1.3
104.24216	0.3
109.48771	0.3
110.02464	0.4
111.00925	0.7
113.02458	42.0
114.02796	1.0
119.05045	0.7
121.02930	0.7
125.02465	2.4
129.02008	1.6
131.03767	4.1
133.03015	0.4
133.06601	0.5
134.03763	0.8
135.04553	0.7
143.03505	4.7
147.04549	0.8
149.06104	0.4
159.03008	10.7
160.01660	1.5
160.03247	0.4
161.04570	100.0
162.04903	3.4
163.04050	0.5
173.27554	0.3
175.03981	2.4
176.04810	0.6
188.05623	1.0
189.05498	0.5
189.12961	0.7
191.07126	0.8
193.05092	0.8
205.03609	2.1
235.06053	1.4
251.12982	0.7
265.49167	0.3
267.02069	0.3
294.09964	0.4
295.08124	1.1
295.11838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49965	0.3
57.03433	1.2
59.01383	2.5
61.98814	0.9
71.01378	0.5
71.05026	5.7
82.66501	0.3
83.05020	0.8
93.03455	0.4
95.05038	0.6
97.06595	2.5
101.27880	0.4
109.06561	0.5
111.08170	8.9
112.08465	0.4
113.09704	0.5
119.08654	0.9
121.10237	2.5
125.09728	1.5
137.09734	0.9
139.11308	0.6
147.08188	0.4
153.41118	0.3
159.70557	0.4
167.10768	1.3
171.10304	0.7
177.12798	1.3
179.10744	0.8
181.12318	0.7
185.11850	3.5
195.13902	5.2
197.11772	0.6
207.13913	0.7
209.11790	0.5
219.13759	0.8
229.19548	0.9
235.17001	1.2
247.02449	0.9
247.20598	2.0
273.18549	2.2
277.55603	0.4
291.19635	100.0
292.19977	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01981	0.4
57.03430	1.4
69.03455	0.6
70.97076	1.1
93.07095	1.5
95.12569	0.4
97.06582	2.3
104.55692	0.4
108.46935	0.4
121.10255	13.1
123.08164	1.3
125.09741	6.8
141.12883	1.1
147.08188	0.9
160.16776	0.4
171.10329	0.8
185.11838	16.5
186.12125	1.3
194.73837	0.5
197.11865	2.9
209.11856	1.4
211.13364	1.7
223.13341	1.1
247.02435	0.5
247.13364	0.7
247.20618	1.0
273.18524	0.9
291.19644	100.0
292.20007	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.26196	0.2
59.01387	1.5
61.98825	0.9
63.48145	0.2
70.19781	1.3
71.01379	0.5
87.00857	0.3
95.05031	0.8
97.06613	0.5
109.18907	0.3
111.08155	0.6
119.05090	0.4
121.10265	0.3
125.06068	0.4
145.03021	0.3
148.08945	1.6
149.09740	0.4
150.10507	1.2
151.11314	0.8
163.11261	1.2
165.12856	20.1
166.13167	1.5
175.03995	0.3
175.11226	0.5
176.12010	0.7
176.23196	0.3
177.12842	0.5
179.14410	0.3
185.86847	0.3
191.14397	0.8
195.13878	0.4
217.16037	0.5
229.19412	0.3
245.19051	0.4
247.02316	1.5
247.20667	9.8
248.21013	1.4
270.41544	0.3
273.18591	5.4
274.18912	0.8
291.19629	100.0
292.19977	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	293.0878
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01869	3.8
57.03436	3.0
58.00590	3.9
59.01376	100.0
60.01698	1.2
60.41404	0.8
69.03447	1.1
69.79277	4.6
71.01382	76.1
72.01714	1.8
72.99307	3.8
73.02947	54.2
83.01392	5.2
84.54288	0.9
85.02955	22.2
87.00880	4.7
89.02451	38.4
95.01392	5.0
99.00888	6.7
101.02449	37.4
102.02744	0.8
102.56751	1.0
103.04015	11.2
113.02458	27.2
114.02779	1.0
116.47684	0.8
119.03515	13.6
125.02470	1.0
131.03510	69.9
132.03883	1.2
143.03467	2.2
145.56194	0.8
159.02994	2.4
161.04575	17.0
173.04585	2.0
209.97922	0.8
233.13136	0.9
250.98837	1.1
293.08752	79.6
294.08987	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03448	0.4
58.00604	1.2
59.01376	38.7
60.01715	0.6
69.49201	2.7
69.49623	1.3
71.01382	17.7
72.99306	1.3
73.02946	1.1
77.25360	0.5
83.01402	1.3
85.02959	4.3
85.06592	14.0
86.06927	0.5
87.00874	1.0
89.02448	18.5
90.02800	0.5
95.01402	1.2
101.02450	11.1
113.02443	6.0
113.06067	2.7
115.07653	1.8
119.03515	6.6
122.13091	0.4
127.07652	1.5
129.05623	0.5
129.09309	0.6
131.07153	57.1
132.07520	2.0
143.03543	0.4
173.08208	1.5
179.05544	1.0
195.95026	0.5
283.71118	0.4
293.12405	100.0
294.12766	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	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.98832	100.0
69.42493	6.4
71.01390	1.0
96.96043	0.8
98.17718	0.6
117.03467	1.2
135.63647	0.6
145.02979	1.5
146.03336	0.8
173.41579	0.6
175.03963	0.8
191.03432	0.6
247.02505	3.2
251.64223	0.6
271.06345	0.6
289.57556	1.0
290.07596	1.8
305.54172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.01628	0.6
57.03444	4.7
58.58159	0.5
69.03472	0.5
69.57352	4.3
76.05602	0.7
78.65479	0.5
80.02661	0.6
81.03468	4.1
83.01382	4.6
83.11604	0.6
93.03485	1.9
95.01395	0.7
95.05013	6.5
97.02959	9.2
98.20589	1.3
99.04523	0.6
108.02206	1.3
109.02958	40.5
110.03355	0.6
111.04591	0.7
115.81987	0.6
118.56145	0.7
121.02961	4.7
122.03729	1.8
123.04534	28.5
124.01565	0.6
124.04861	1.3
125.02462	25.4
126.02773	1.0
131.05148	0.7
135.04532	3.3
137.02451	14.3
138.03249	0.9
139.04031	5.3
145.02936	1.9
146.03746	2.0
147.04491	0.6
149.02464	6.3
149.06012	0.7
150.03178	1.8
151.04012	12.3
151.48343	0.6
157.06644	0.9
159.04555	4.2
159.08029	0.7
160.05261	2.0
161.02463	1.7
161.06087	6.3
162.03247	3.0
163.03986	1.3
164.01140	4.3
165.01979	5.9
167.03485	2.3
172.05263	0.7
173.06107	1.9
173.43900	0.5
175.04005	2.9
175.07643	2.1
179.03503	8.6
185.06030	1.1
187.04036	6.2
188.04791	5.3
199.07591	1.1
201.05540	0.9
202.06271	3.5
203.07133	17.6
204.07489	1.5
205.05043	11.5
206.05441	0.8
217.08624	1.0
221.08182	5.9
227.07048	3.0
230.05838	1.4
231.02957	0.8
245.08162	31.8
246.08475	2.1
247.06200	2.0
271.06171	1.2
275.44202	0.6
289.07159	100.0
290.07480	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	289.0716
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
50.67942	0.4
55.17815	0.4
57.03431	2.1
66.88211	0.5
69.03448	0.6
69.31336	3.7
69.31750	1.6
81.03476	3.1
83.01371	2.7
85.02905	0.6
93.03457	1.4
95.01383	0.5
95.05041	3.6
97.02959	6.9
98.19800	1.0
108.02187	0.5
109.02962	23.7
110.03308	1.3
121.02951	2.3
122.03753	0.7
123.04533	14.9
124.04883	0.8
125.02451	15.6
126.02806	0.8
135.04515	2.3
137.02455	8.0
138.03209	0.7
139.04007	2.7
145.02957	0.7
146.03694	1.2
149.02446	3.5
150.03230	1.0
151.04015	9.2
159.04544	2.3
160.05295	1.3
160.23083	0.6
161.02432	0.9
161.06093	3.8
162.03232	1.8
163.03963	1.1
164.01154	2.7
165.01918	3.8
167.03499	2.0
173.06123	1.0
174.03236	0.9
175.04012	1.8
175.07608	1.4
177.05537	0.5
179.03494	6.2
180.04007	0.7
184.05296	0.7
185.06117	0.7
187.04010	4.2
188.04814	2.9
199.07631	0.5
201.05559	0.7
202.06412	1.9
203.07120	10.7
204.07503	0.9
205.05066	7.8
220.50867	0.5
221.08159	3.5
227.07106	1.9
231.03079	0.5
245.08151	24.7
246.08565	2.2
247.06062	1.2
271.06076	1.4
289.07156	100.0
290.07547	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	290.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
61.98829	100.0
63.23709	0.8
70.04174	1.0
70.92412	1.9
70.92786	1.8
80.07177	0.9
92.10437	0.8
98.50982	0.9
121.80819	1.0
179.63573	0.9
183.13794	0.9
211.03580	2.1
227.12715	1.1
259.77222	0.9
304.76837	0.9
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	Mesembrine
Peak:m/z	Relative Intensity
54.40486	0.4
56.32160	0.3
59.01366	1.8
62.00628	0.4
71.63351	0.7
81.03469	1.5
86.13683	0.4
92.05064	0.9
93.03449	1.7
97.13038	0.4
97.36720	0.4
99.92599	0.9
108.02180	0.6
108.04571	4.0
109.02971	5.3
134.02501	34.9
135.03333	6.7
136.04065	34.7
137.02528	2.1
137.04352	1.3
148.04120	0.7
149.04788	1.4
155.81174	0.4
158.21259	0.4
176.03566	3.6
176.07268	0.5
177.04185	0.8
190.05048	0.6
204.06769	0.6
228.64545	0.5
229.39388	0.4
288.16040	100.0
289.07065	0.8
289.16351	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	288.9966
Annotation	3-O-phosphonohexaric acid
Peak:m/z	Relative Intensity
54.15038	0.5
59.01365	0.7
61.08744	0.5
65.83578	0.5
71.01385	4.3
71.20745	0.6
78.95909	38.4
83.06107	0.5
84.82909	0.5
85.02956	0.6
87.00874	0.8
96.96008	32.8
96.96962	100.0
97.13412	0.5
99.00874	1.2
112.98810	0.9
124.98801	1.5
128.03551	0.6
138.06940	0.5
142.99881	22.4
144.00162	1.2
170.12579	0.5
173.00919	19.7
191.05614	2.4
199.00087	1.2
210.15802	0.7
270.98657	2.9
289.03186	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	287.0559
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03439	0.9
59.01378	0.7
63.02406	2.5
65.00325	12.8
69.82126	1.5
73.11185	0.2
81.03455	0.3
83.01385	6.0
93.03495	0.3
97.02999	0.3
98.19926	0.3
99.68701	0.2
103.39589	0.3
107.01402	16.9
107.05026	0.4
107.08250	0.3
108.01702	0.3
109.02986	2.8
114.47700	0.3
117.03518	0.4
121.02996	1.5
124.01688	0.5
125.02464	7.5
133.02980	0.5
134.03755	1.9
135.04539	100.0
136.04865	4.5
137.02470	2.8
147.04630	0.3
149.02455	0.9
151.00383	91.9
152.00731	3.2
153.11673	0.2
158.03792	0.2
159.04524	1.0
161.02422	1.4
164.01163	0.5
165.01917	1.6
169.01450	2.7
173.06137	0.7
175.04024	1.3
177.01993	0.6
177.05588	0.9
189.05519	0.3
201.05528	1.4
203.03503	0.5
215.07141	0.3
217.05078	0.7
219.06670	0.4
225.05640	0.6
241.05130	0.4
243.06557	0.5
259.06140	2.4
269.04498	1.0
287.05603	22.0
288.06042	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	287.0561
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03447	15.2
59.01386	0.8
62.83987	0.5
63.02393	4.8
65.00319	8.5
69.31020	6.5
80.96530	2.2
81.03468	3.4
83.01388	12.6
84.01755	0.6
93.03461	2.3
95.01371	0.7
95.32997	0.5
107.01403	7.8
107.05048	1.6
109.02946	2.4
111.00917	1.6
117.03522	0.8
121.02976	0.8
123.00857	0.9
123.04522	2.5
124.01686	2.7
125.02460	100.0
126.02802	4.1
130.04227	0.6
130.22174	0.6
131.05052	1.8
133.02977	2.9
134.03738	1.6
135.04530	3.3
137.02457	1.1
145.06627	0.7
151.00391	15.4
152.01178	10.1
153.01950	3.6
156.05836	0.8
157.06560	2.7
158.03696	0.8
159.04509	1.4
165.01924	1.3
169.06544	0.8
172.05313	1.7
173.06078	5.6
175.03992	1.3
175.07571	0.6
176.01117	0.9
177.05583	17.1
178.05927	0.9
178.99872	7.1
187.07634	0.7
197.06094	0.9
199.03880	0.7
199.07626	2.3
200.04907	0.7
201.05591	9.8
202.05879	1.4
203.03563	1.0
213.05609	1.8
215.07159	5.9
219.06607	2.0
225.05521	0.7
241.05113	2.2
243.06598	12.6
244.06897	1.2
259.06091	78.4
260.06415	6.1
269.04456	3.3
287.05606	63.0
288.05911	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83080	2.2
57.03450	9.1
67.01878	2.5
69.03446	4.1
71.14461	5.0
77.01843	1.7
77.03972	2.3
80.96521	8.4
81.03425	2.7
83.01410	15.2
85.02980	2.2
91.02777	1.7
93.03454	11.2
95.01387	3.7
97.02933	3.2
98.63356	2.1
106.70731	2.0
107.05024	2.9
108.02193	4.5
109.02967	31.9
111.00900	2.3
119.05073	2.5
121.02958	28.8
123.04482	3.6
124.01643	11.3
125.02464	64.5
126.02738	2.8
133.02982	3.6
135.04543	11.7
137.02455	100.0
138.02928	4.2
146.03780	2.5
147.04539	6.9
148.05336	3.7
149.02464	39.1
149.06094	3.2
150.03291	11.5
151.00420	2.0
151.04027	11.7
153.01952	2.0
157.03075	2.0
158.03754	5.9
159.04558	16.7
161.02454	19.5
162.03149	2.8
163.03983	2.7
164.01157	8.5
165.01938	27.4
166.02528	2.0
171.04488	2.7
172.05273	8.9
173.06081	23.4
174.03264	5.9
175.04030	45.9
175.75833	1.9
176.04617	5.7
177.01926	11.8
177.05577	13.4
183.04518	6.8
185.06059	2.1
187.07602	3.7
189.05608	10.8
191.07130	7.0
197.06107	5.7
199.03998	6.2
200.04752	3.5
201.01903	3.0
201.05576	40.1
202.05879	3.6
203.03462	16.3
204.04239	2.9
215.07127	12.6
217.05069	13.8
219.06615	24.7
225.05565	10.5
227.03494	4.2
241.05098	6.6
243.02946	6.3
243.06569	18.9
244.07066	2.8
245.04590	7.3
258.05301	7.0
259.06067	49.6
260.06299	2.1
269.04553	11.3
287.02377	4.4
287.05597	90.0
287.10318	5.3
288.05960	9.3
288.09930	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	287.056
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03436	0.7
57.80958	0.2
59.01364	0.3
63.02391	2.4
65.00323	12.1
65.03990	0.2
69.58144	0.8
69.58567	0.5
81.03509	0.2
83.01388	5.6
91.05560	0.2
107.01400	16.5
107.05045	0.6
108.01750	0.5
108.99313	0.2
109.02956	2.4
125.02459	5.2
133.02948	0.4
134.03780	1.8
135.04536	100.0
136.04868	4.5
137.02457	0.4
145.23567	0.2
151.00380	88.9
152.00705	3.5
159.04533	0.2
161.02423	0.9
165.01949	0.7
169.01411	1.7
177.01927	0.5
199.99046	0.2
201.05545	0.3
243.06792	0.3
259.05975	0.5
269.04550	0.7
287.05597	17.5
288.05951	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	285.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
58.00591	3.6
59.01377	100.0
60.01701	1.6
68.73910	0.6
69.55535	6.0
71.01382	44.5
72.99302	3.6
73.02951	1.8
75.00864	1.4
81.03452	0.6
83.01379	1.5
83.05030	1.6
85.02960	7.3
87.00889	2.3
87.18852	0.8
89.02451	68.9
93.03458	1.2
95.01400	3.1
98.19874	1.3
101.02447	18.3
101.03086	1.2
113.02464	18.8
114.02804	0.9
119.03510	21.5
120.86341	0.6
121.03004	1.2
123.04564	1.8
125.02493	1.1
131.03526	3.1
137.02493	2.6
137.29581	0.7
143.03520	4.5
149.04602	2.4
156.01266	1.0
161.04568	4.8
175.04068	2.3
177.04089	1.9
178.99976	1.2
179.03722	1.4
179.05624	18.0
193.05136	1.2
194.05902	1.9
197.01006	1.2
199.04036	1.3
209.08279	1.6
213.12355	0.6
217.05066	1.3
225.16092	5.4
241.05286	1.0
243.66183	0.6
284.27014	3.3
285.04031	6.4
285.09921	6.5
285.27148	2.4
286.04239	1.1
286.10117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23968	0.2
59.01373	1.2
69.50172	1.4
69.50587	0.4
81.35242	0.2
88.25389	0.2
91.05675	0.2
93.03477	0.3
98.19832	0.3
113.76482	0.2
115.74292	0.2
143.05045	4.3
145.02924	1.2
147.04562	0.4
159.04369	0.3
161.06113	0.4
163.00349	0.4
163.44328	0.3
169.02986	0.6
170.03723	0.3
171.04535	16.4
171.10255	0.2
172.04819	1.3
173.02435	0.5
185.02406	0.6
185.06119	0.7
185.53748	0.2
186.03270	0.8
187.04001	4.7
188.04370	0.3
189.01910	0.5
189.05531	0.3
197.02441	3.3
198.03195	1.1
199.04019	3.4
201.01912	0.4
213.01984	3.3
213.05496	2.6
214.02687	2.8
215.03511	21.1
216.03784	1.6
217.01431	0.9
225.01907	0.8
226.02664	0.8
229.05029	1.1
241.01379	0.2
242.02267	3.3
243.02972	25.6
244.03270	2.0
257.04547	11.6
258.04935	1.1
284.26782	1.7
285.04044	100.0
285.27136	0.7
286.04407	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	285.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
60.61684	0.5
61.98829	1.3
68.26830	0.4
69.70377	2.7
71.01392	4.1
72.99297	0.7
73.02949	0.6
75.00880	1.9
78.95919	3.9
84.04594	0.6
84.05724	0.4
85.02955	0.7
87.00893	1.4
89.02477	0.4
93.03467	42.2
94.03794	1.5
96.86130	0.4
96.96983	1.1
99.00896	1.6
100.04062	1.2
101.02463	0.8
103.00383	1.7
103.04008	1.5
105.01963	1.2
108.02179	11.5
109.03017	2.2
110.98531	2.7
111.05672	0.5
118.52415	0.4
122.03756	2.0
123.04559	0.9
128.59457	0.4
137.02460	100.0
138.02798	5.5
142.99879	2.1
147.03015	2.6
148.84048	0.4
152.01183	7.1
153.01971	4.0
165.04044	2.7
173.00822	0.6
177.03987	1.2
183.07739	1.6
199.13512	0.4
213.08885	0.8
220.62199	0.5
243.96156	0.4
285.06332	10.6
285.10922	3.2
286.06638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16099	0.3
59.01376	0.9
69.45283	2.8
71.01379	1.0
73.02956	0.3
79.08076	0.3
87.00890	0.6
93.03463	46.4
94.03781	1.6
99.00884	1.5
103.36102	0.3
105.01938	1.0
109.02992	1.5
123.04536	1.0
137.02454	100.0
137.78590	0.3
138.02791	4.5
147.02985	2.8
153.01959	2.0
165.04021	3.0
284.26715	0.6
285.03793	0.9
285.06619	2.0
285.09174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	39.4
61.07579	0.5
61.17908	0.4
61.98829	100.0
64.93464	0.4
71.01385	2.5
71.33904	1.0
73.02953	0.6
75.00874	0.4
80.96484	0.7
85.02971	1.0
87.04604	0.4
88.04062	1.9
89.02454	0.7
99.01017	0.4
101.02482	1.6
113.02454	0.8
119.07182	0.4
135.04509	0.4
146.08231	0.7
149.00681	1.8
161.02438	0.5
161.04593	0.5
163.04013	0.7
174.15378	0.4
179.03586	0.7
192.99760	0.9
193.05164	0.8
218.10315	3.1
221.10254	0.7
236.98581	0.8
281.06967	0.6
281.11560	1.5
281.24902	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.4
57.03431	3.8
58.00581	3.7
59.01376	100.0
65.23818	1.1
66.15247	1.0
67.51519	1.1
69.47768	8.3
71.01382	80.9
72.01733	1.2
72.99301	3.4
73.02947	20.3
75.00874	4.7
83.01386	9.4
85.02956	30.1
86.03253	0.9
87.00865	5.9
87.04511	3.0
89.02447	45.9
95.01389	7.2
96.56068	1.0
97.02943	2.4
99.00883	7.0
101.02448	70.3
102.02817	1.3
103.04002	6.7
113.02455	33.2
119.03513	16.8
119.07124	10.4
125.02446	1.3
129.01926	1.3
131.03500	2.2
133.01546	6.4
133.05095	1.8
143.03487	5.2
149.04578	1.8
149.11389	1.1
150.04222	20.6
159.02953	6.8
161.04564	40.4
162.04994	1.4
177.04027	4.0
179.05595	3.8
181.07153	3.0
184.99516	1.8
281.08820	7.3
281.12372	46.6
281.24841	2.0
282.08438	9.5
282.12726	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	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06721	0.4
59.01379	100.0
60.01699	1.0
61.98827	3.3
64.85729	0.4
69.84151	2.5
71.01395	1.4
73.02960	0.7
74.24938	0.4
85.02962	0.4
89.02448	1.2
101.02462	2.0
113.02464	0.8
117.05631	1.0
119.03569	0.5
146.97018	0.5
161.04659	1.4
192.99770	0.7
221.10321	3.6
281.06891	1.0
281.11636	1.0
281.24939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0823
Annotation	Benzoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
56.12333	0.1
59.01361	0.7
64.74185	0.1
69.42892	1.7
69.43233	0.2
71.01386	0.2
77.03964	0.2
88.56392	0.2
93.03452	0.2
109.62635	0.2
113.02451	0.3
121.02968	100.0
122.03307	4.6
135.04530	0.4
142.70457	0.2
163.04060	0.2
170.01003	0.1
229.59624	0.2
247.13739	0.2
283.26419	1.9
284.26801	0.2
284.36172	0.2
303.35071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0406
Annotation	Kaempferol
Peak:m/z	Relative Intensity
52.46177	0.2
59.01381	2.4
59.53893	0.2
61.98822	0.8
63.02394	0.8
65.00322	1.0
71.59370	0.5
83.01392	0.9
90.61449	0.2
93.03466	2.8
95.01386	0.3
97.02930	0.2
107.01399	1.6
108.02179	0.6
109.02948	1.1
111.00917	0.3
117.03460	0.8
119.05045	0.3
121.02982	0.5
123.04530	0.6
130.04254	0.3
133.02904	0.3
134.97620	0.2
135.00888	0.8
137.02457	0.8
143.05048	1.3
145.02988	1.3
151.00397	1.7
154.04271	0.8
155.05057	0.6
156.05757	0.4
157.06566	0.7
159.04536	1.3
161.02478	0.4
163.00392	0.8
164.01189	0.6
165.01952	0.5
167.05049	0.6
169.01463	0.6
169.06596	1.0
171.04532	1.2
173.02419	0.5
183.04523	0.3
184.05318	0.3
185.06105	2.1
186.06313	0.4
187.04021	1.7
189.05515	0.3
195.04585	0.4
197.06073	0.3
199.03926	0.3
201.05580	0.7
211.04033	1.0
211.13313	0.6
212.04590	0.3
213.05479	1.2
214.02771	0.9
215.03464	0.7
223.13464	0.3
227.03522	0.8
229.05098	1.7
239.03453	1.5
240.04126	0.4
241.05095	0.5
241.14371	0.3
243.03011	0.7
255.03056	0.7
256.15109	0.2
257.04520	1.3
258.05173	0.2
284.26813	2.9
285.04053	100.0
285.27090	2.1
286.04395	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	280.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	1.6
58.66365	0.9
59.01375	14.5
69.74154	5.6
70.02988	3.6
71.01388	3.8
72.00912	6.5
72.99303	12.4
73.02959	1.6
76.03175	0.8
82.02991	3.7
91.05539	5.2
95.73370	0.9
96.00909	6.0
99.00867	7.9
109.01704	100.0
110.02042	3.9
114.01979	4.3
117.03480	1.5
118.06643	17.6
119.05019	2.1
127.02747	1.2
135.03069	1.4
135.04520	1.2
135.19305	1.2
147.04530	18.3
147.08186	3.4
148.04837	1.5
148.07628	1.1
149.00697	2.8
163.04008	2.3
164.07176	49.1
165.07541	2.3
174.09264	7.2
175.07623	1.4
176.07137	5.8
190.08688	1.9
192.99638	2.4
200.07181	5.2
202.05122	2.5
205.11569	0.9
206.08240	2.6
218.08185	2.1
236.98653	1.4
244.06128	84.0
245.06476	8.8
262.04431	1.9
262.07196	29.2
263.07550	3.1
276.88147	1.0
280.08215	4.0
281.06683	1.2
297.85034	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.5
60.98994	0.7
60.99302	12.2
69.38408	4.3
71.01373	2.1
78.95901	1.5
80.96366	0.5
85.02946	0.8
88.10317	0.5
88.98807	100.0
89.02438	1.5
89.99132	1.3
93.03465	0.5
96.96951	3.8
98.97396	2.0
101.02446	1.5
113.02436	0.9
115.00398	0.6
115.92077	1.4
119.03474	1.1
124.31227	0.4
146.99103	0.6
147.99930	0.9
149.00671	12.0
150.00970	0.7
151.08752	0.6
152.33386	0.4
192.99644	12.5
193.99965	1.2
196.69246	0.5
212.16687	0.5
236.98608	7.3
242.80281	0.5
244.16260	0.5
249.79561	0.5
280.97635	1.2
281.08713	2.6
281.11426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1085
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
53.04050	0.8
53.88514	0.8
54.04987	0.7
55.01879	0.8
57.03442	0.9
58.00581	3.8
58.22981	0.8
59.01377	100.0
60.01716	1.0
63.45642	0.7
64.71043	0.8
69.31464	9.3
71.01384	56.3
71.05022	1.8
72.99302	3.3
73.02957	1.7
78.11552	0.8
83.00957	0.8
83.01398	2.9
85.02952	10.1
85.25322	1.1
87.00902	2.0
89.02451	66.2
90.02762	2.0
95.01398	3.3
96.96955	1.9
99.04527	3.0
101.02454	32.6
113.02463	22.9
117.05585	17.0
119.03518	30.4
119.05018	2.6
126.69755	0.7
131.03519	3.1
133.05722	1.1
143.03496	3.1
143.05109	0.9
145.06621	2.1
149.04546	1.6
161.04565	1.7
163.04027	1.2
173.06102	7.9
179.05644	4.9
210.31059	0.7
223.58980	0.8
261.04016	2.9
279.05255	12.5
279.10834	63.9
280.05460	1.8
280.11127	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	277.2168
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.24939	0.4
53.77397	0.4
59.01379	9.3
67.42891	0.4
71.01374	1.2
71.60040	0.7
76.90679	0.4
78.15652	0.4
78.80726	0.4
79.95757	0.6
85.19128	0.4
100.96677	0.5
108.28516	0.4
121.02916	0.8
124.17587	0.4
128.24554	0.4
133.13771	0.5
153.10396	0.5
184.61755	0.4
205.15967	1.2
233.19017	0.9
233.22563	0.7
237.79781	0.4
245.54068	0.4
277.18155	14.4
277.21677	100.0
278.18469	1.7
278.21994	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01368	1.5
71.01398	0.5
71.12610	0.4
71.12949	0.8
128.52293	0.5
147.96970	0.4
233.22717	0.6
259.20752	0.6
277.21707	100.0
278.22089	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	279.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15390	0.3
70.57666	0.7
70.58033	0.7
78.95905	36.1
83.68813	0.3
96.96967	100.0
98.63098	0.4
119.53191	0.3
128.21921	0.3
199.68211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
59.70329	0.3
60.97660	0.3
62.63641	0.3
70.73930	1.0
71.01375	2.1
71.05019	1.0
71.07241	0.3
71.28003	0.3
77.59702	0.3
78.95906	34.5
79.79413	0.3
85.02940	0.4
87.00858	0.6
89.02452	1.6
94.69947	0.3
96.00985	0.3
96.96968	100.0
99.00887	0.3
99.04543	0.7
101.02454	1.3
105.01933	1.0
106.82957	0.3
113.02463	0.9
113.36187	0.3
117.05582	5.7
119.03506	1.1
173.06029	0.4
216.90480	0.5
279.04910	1.2
279.10822	11.1
280.11267	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61380	0.5
55.01877	1.6
57.03442	1.4
58.00588	1.5
59.01379	22.5
60.01721	0.6
69.64576	0.6
69.64983	2.6
71.01383	26.0
72.00916	5.5
72.01712	0.6
72.99316	2.1
73.02953	7.4
74.02470	2.5
75.00876	1.2
78.95896	3.0
81.03504	0.4
83.01386	3.6
85.02956	11.7
86.00128	0.7
87.00874	1.9
89.02452	12.5
92.02538	0.6
94.03008	0.5
95.01406	1.6
96.96011	0.8
96.96963	6.9
97.02953	0.6
97.34312	0.4
98.02525	0.9
98.20689	0.4
99.00897	2.9
100.00415	15.5
100.04057	0.7
101.02453	21.6
107.03658	2.2
108.56046	0.4
109.01712	0.8
111.00861	0.8
113.02457	11.8
113.03611	0.5
117.02081	1.1
117.05585	0.7
117.09217	0.6
118.05120	9.0
119.03512	5.5
125.02504	0.6
126.04388	0.6
129.01985	0.7
134.04745	29.8
137.02463	0.6
143.03529	2.0
144.03044	8.2
159.03009	2.8
160.02663	100.0
161.02979	3.4
161.04564	10.4
163.03955	0.5
164.07193	1.2
173.06044	0.6
179.05650	1.4
192.10272	0.5
204.10266	0.7
205.03548	0.5
217.04868	0.6
225.83951	0.4
235.05945	1.4
244.05998	0.6
261.03922	0.6
279.05313	1.0
279.08417	2.3
279.10892	7.6
279.14505	7.4
279.23166	2.7
280.11612	0.4
280.14682	0.5
280.23593	0.5
290.42200	0.4
300.11942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01374	0.4
69.56161	1.7
71.01389	0.5
72.99312	17.9
73.02536	0.5
73.02950	9.1
75.00879	86.3
76.01228	0.9
101.02462	0.4
123.66560	0.2
126.28746	0.2
129.81500	0.3
132.33769	0.2
155.14400	1.3
183.17554	1.3
195.17542	0.7
213.18602	1.2
222.70514	0.2
257.17599	0.8
275.18631	100.0
276.18961	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	271.2276
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
52.18897	0.3
55.01873	0.5
57.03430	0.4
58.16631	0.3
59.01361	0.5
61.98811	1.0
65.00323	0.7
70.51659	0.2
70.91771	0.6
70.92153	0.5
72.83288	0.2
72.99305	0.4
73.15221	0.3
73.55608	0.3
73.65025	0.3
78.77135	0.2
83.01385	0.5
89.02438	0.7
93.03465	0.5
107.01421	0.6
119.05048	2.1
133.12534	0.3
151.00356	2.0
177.01888	0.4
197.19063	1.1
221.19075	0.8
223.20665	3.6
225.22226	58.9
226.22583	5.7
253.21786	1.0
271.06104	2.8
271.22751	100.0
272.06287	0.6
272.23090	11.0
283.49994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0767
Annotation	3,3',5,5'-Tetrahydroxy-4-methoxystilbene
Peak:m/z	Relative Intensity
59.01381	1.0
61.98851	0.3
71.50546	0.7
84.46632	0.3
101.86667	0.3
118.03806	0.4
157.06609	2.7
193.53012	0.3
194.08275	0.4
199.45767	0.4
201.05576	20.9
202.00990	0.6
202.02736	7.5
202.05898	1.0
203.03099	0.5
215.03510	1.9
229.05055	48.0
230.05493	6.1
234.01727	1.4
245.08128	0.9
273.07666	100.0
274.08005	9.8
274.10989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
65.00342	1.1
65.28600	0.5
70.47968	2.1
71.01407	0.8
71.77850	0.5
72.99331	0.6
83.01405	1.1
88.20606	0.5
89.02449	0.9
93.03488	0.7
107.01396	0.9
108.02165	0.7
109.02971	1.9
111.00948	0.6
112.98859	0.7
119.05034	3.2
139.54747	0.5
151.00385	2.4
153.05608	0.7
157.06601	0.6
167.04990	1.8
169.06610	1.0
170.26050	0.5
171.04541	1.0
174.01721	8.5
175.02193	0.6
184.05226	0.7
185.04489	1.0
185.06084	10.1
195.04510	7.6
196.05217	2.4
197.06091	2.5
199.04030	1.5
211.04103	1.2
212.04729	4.5
213.05568	39.7
214.05913	3.1
223.04053	5.4
224.04778	6.1
227.03618	0.6
228.04048	0.5
239.03459	1.3
240.04251	3.0
241.05054	100.0
242.05379	9.3
256.07388	56.1
257.07687	5.0
271.06210	5.6
271.09726	55.2
271.22650	1.4
272.07141	0.8
272.10129	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84981	0.2
59.01355	0.2
64.98309	0.2
65.00316	0.5
66.13316	0.2
68.60500	0.2
69.99615	1.0
70.57600	0.2
79.95753	0.5
80.96522	100.0
81.96437	0.4
83.01395	0.3
94.21359	0.2
98.20008	0.2
105.57182	0.2
107.01409	0.5
109.02957	0.3
114.10932	0.2
119.05017	1.3
124.50970	0.2
145.01874	0.3
151.00403	1.3
174.01660	0.7
181.01476	0.3
225.00456	0.2
252.99841	0.3
271.06128	1.8
271.10068	42.8
272.10394	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	271.0609
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
58.53786	0.7
59.80212	0.7
63.02394	8.9
65.00318	13.7
71.05019	1.4
71.05359	0.8
78.60835	0.7
79.99820	0.6
83.01389	11.2
83.32732	0.7
93.03460	12.4
107.01396	24.4
108.01707	1.0
108.96490	0.6
119.05037	70.9
120.05353	2.3
121.02991	0.9
125.02488	0.9
145.03011	1.1
151.00380	61.9
152.00714	2.6
161.06032	1.0
165.01936	3.6
169.01431	2.3
177.01918	8.4
187.03989	2.5
188.87688	0.6
243.70563	0.7
259.78815	0.8
271.06094	100.0
272.06445	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	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
57.03437	0.3
59.01376	1.4
59.43301	0.1
61.98830	1.8
65.00312	0.2
68.99830	0.3
69.03443	0.3
69.55831	1.1
71.01385	7.6
71.10509	0.1
72.01719	0.2
72.99299	0.3
73.02943	2.8
75.00885	0.2
76.16534	0.1
78.95917	1.4
81.03490	0.2
83.01380	1.0
83.05046	0.1
85.02438	0.2
85.02959	4.1
85.75687	0.2
87.00890	0.4
88.98801	0.2
89.02453	2.0
93.03429	0.3
95.01396	1.7
96.96967	2.8
97.02956	0.4
99.00882	1.4
101.02451	4.2
107.05038	0.5
108.02185	100.0
109.03049	8.7
110.03316	0.3
112.06781	0.2
113.02455	4.0
119.05052	0.3
121.02948	0.9
122.03786	0.2
123.00902	1.3
123.04530	1.7
125.02440	0.5
129.01993	0.2
130.08754	0.8
133.02991	1.0
133.03847	0.2
134.03761	0.2
135.04579	0.4
137.02458	0.2
142.99872	0.9
143.03503	0.6
144.70140	0.2
151.00421	0.3
151.04015	4.0
159.03038	0.9
161.04568	6.3
162.04886	0.2
163.04027	1.9
169.46262	0.2
173.00943	0.3
177.01988	0.2
181.05054	0.2
198.02788	0.2
199.01097	0.2
230.08777	0.2
236.26738	0.2
240.74884	0.2
241.04962	0.3
256.07446	0.3
271.05838	0.3
271.08197	1.1
271.22775	0.5
272.02350	0.2
272.09933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26994	0.4
59.72661	0.4
60.01252	0.4
63.02392	10.3
64.02723	0.7
64.96344	0.4
65.00320	16.7
66.00645	0.6
69.52869	1.0
69.53267	3.0
73.58253	0.4
83.01386	11.4
83.64133	0.4
90.10425	0.4
93.03460	12.7
98.20659	0.8
106.71768	0.4
107.01395	27.9
108.01759	0.4
109.02982	0.5
119.05034	71.7
120.05384	3.0
121.02937	0.7
121.55131	0.4
125.02437	1.6
143.05064	0.8
145.02982	1.2
151.00377	65.6
152.00685	2.6
161.06064	1.3
165.01930	3.6
169.01382	2.7
172.39952	0.4
174.01711	0.4
177.01930	9.7
185.06065	1.2
187.04019	3.0
203.07158	0.5
227.07123	1.6
229.05144	0.8
231.97327	0.4
253.04961	0.6
271.06079	100.0
272.06393	8.7
280.57568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12043	0.4
56.55077	0.4
59.01394	3.3
59.01657	0.6
61.98829	100.0
69.85959	0.7
69.86369	1.6
71.01390	0.6
83.18069	0.4
87.00884	0.8
105.94814	0.4
135.03250	0.8
136.03564	0.8
170.03986	0.4
172.99429	0.4
197.37518	0.4
268.07562	2.4
269.07727	0.6
269.21417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.7
57.03436	1.1
59.01377	8.9
69.46462	2.9
71.01385	16.5
72.99313	0.8
73.02955	6.6
75.00851	0.3
77.03940	0.4
83.01405	3.0
85.02954	7.0
87.00875	1.1
89.02445	0.7
93.03506	0.4
95.01408	0.9
97.02945	0.4
99.00900	4.6
101.01785	0.7
101.02450	13.2
113.02460	6.3
113.39729	0.4
121.02969	100.0
122.03308	4.2
125.48711	0.4
129.01976	0.4
137.02469	0.6
143.03523	0.4
147.03004	6.2
147.53989	0.3
151.00569	0.4
159.03000	1.2
161.04572	5.0
217.54240	0.4
269.04279	2.7
269.06857	1.4
269.10040	1.7
269.21310	0.4
269.24783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51007	0.2
57.78953	0.3
59.01368	0.4
61.98825	0.6
68.10010	0.3
69.52385	2.4
71.01395	1.5
71.79399	0.3
73.02946	2.3
87.00900	0.9
93.03473	0.6
98.57623	0.3
101.02457	0.8
103.04064	0.6
119.03472	0.4
121.02971	100.0
122.03304	3.3
133.67444	0.3
137.02469	2.5
147.03004	0.6
177.23947	0.2
200.72563	0.3
250.02377	0.3
269.06708	1.7
269.21451	0.6
269.24603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	10.0
57.03446	6.3
58.00590	2.4
59.01377	49.5
60.01722	1.0
61.98826	1.0
62.31075	0.5
62.36117	0.5
69.03458	1.4
70.77953	1.6
71.01384	100.0
72.01727	2.0
72.99302	4.1
73.02949	35.9
74.03297	0.9
74.60448	0.5
75.00864	2.2
78.18276	0.6
79.89371	0.5
83.01392	18.3
84.02219	0.8
85.02956	53.1
85.15819	0.6
86.00080	0.9
86.03297	0.9
87.00883	5.4
89.02457	5.1
93.03444	0.7
95.01390	6.0
96.01746	0.7
97.02969	2.1
99.00891	15.6
100.01248	1.0
101.02454	79.3
102.02782	1.8
107.05042	1.7
113.02459	40.8
114.02766	1.5
125.02464	2.3
129.01953	1.3
135.85985	0.5
137.02487	0.5
143.03503	3.1
147.04529	0.6
149.06006	0.6
159.03006	9.3
160.03284	0.8
161.04572	29.2
162.04938	1.3
174.40703	0.5
205.03633	1.4
230.60634	0.5
269.10275	9.3
269.21170	3.2
269.24820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36540	0.6
51.13470	0.5
55.01864	0.7
57.03439	1.3
59.01377	100.0
60.01722	1.1
61.98830	35.6
66.90833	0.5
70.99183	1.4
71.01381	14.9
71.48479	0.4
72.99316	1.3
73.02934	3.5
75.00898	1.1
75.67388	0.5
80.19888	0.6
83.01403	2.1
85.02956	8.5
87.00903	2.2
89.02460	6.5
93.31122	0.5
95.01390	1.0
97.02991	0.7
99.00887	1.4
101.01796	0.7
101.02452	14.0
105.05590	2.3
113.02462	8.0
119.03510	2.8
135.03137	4.3
143.03555	1.0
159.03116	1.4
161.04582	8.5
179.05716	1.1
207.08769	2.5
267.07318	9.0
267.10886	10.4
267.13504	0.7
268.07770	0.8
268.11069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93351	0.2
59.01379	1.9
60.50455	0.2
64.81350	0.2
65.96452	0.2
66.03331	0.2
69.50725	1.1
69.51155	0.6
71.01378	0.3
71.86945	0.2
73.02949	0.3
78.95908	38.9
84.00475	0.2
85.02931	0.3
86.43727	0.2
87.00872	0.3
87.21349	0.2
92.65872	0.2
96.96970	100.0
98.19952	0.5
101.02448	0.4
113.02512	0.3
121.02984	0.3
168.99100	0.3
251.02539	0.2
267.06445	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03444	3.5
58.00592	0.7
59.01376	32.0
61.66774	0.7
61.98828	4.2
69.03438	0.5
71.01382	32.3
71.39812	1.1
72.99301	4.0
73.02940	1.7
75.00879	13.3
82.74765	0.6
83.01388	1.5
85.02954	27.5
87.00883	15.2
88.98829	0.7
89.02447	12.9
91.03999	1.5
95.01390	4.1
99.00887	7.3
101.02451	4.9
103.00400	1.8
105.01970	1.5
113.02462	37.8
114.02802	1.3
115.00389	1.0
117.01940	1.5
119.03519	1.1
129.01945	1.7
137.93600	0.5
149.04565	0.6
157.01460	0.7
161.04553	1.3
175.02525	1.5
178.99480	0.6
179.05547	0.7
192.03069	0.9
207.05142	1.8
249.06186	4.0
267.07187	100.0
268.07571	7.8
273.29123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0721
Annotation	2-O-(alpha-D-Mannosyl)-D-glycerate
Peak:m/z	Relative Intensity
52.89510	0.3
53.03907	0.3
53.38299	0.4
55.01875	1.3
57.03440	4.0
58.00578	0.5
59.01374	23.7
69.89845	2.2
71.01382	31.4
72.01723	0.7
72.99310	3.5
73.02938	0.8
75.00874	13.2
77.53333	0.4
78.95916	0.9
83.01390	0.9
84.02142	0.4
85.02953	30.7
87.00878	13.8
88.01206	0.5
89.02447	9.6
91.04029	1.3
93.87214	0.3
95.01395	5.6
99.00888	8.0
101.02454	1.6
103.00377	2.8
105.01950	0.5
111.00909	0.7
112.01697	0.7
113.02461	37.1
114.02789	1.1
115.00368	1.3
117.01949	2.3
119.03527	0.5
129.01959	1.4
131.03500	0.7
136.94977	0.5
149.04607	0.8
155.88623	0.4
157.01427	0.5
175.02475	1.7
178.96013	0.5
205.07130	0.8
206.95500	0.7
207.05078	1.4
249.06154	4.1
267.07187	100.0
268.07544	5.3
286.93854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
56.92982	0.4
57.03455	2.5
58.00589	1.9
59.01377	40.7
61.98827	1.1
70.10360	1.9
71.01384	20.6
72.01714	0.8
72.99315	1.5
73.02953	1.4
75.00876	1.3
83.01388	1.4
85.02955	21.9
87.00900	1.0
89.02452	20.7
90.02766	0.6
95.01422	2.1
99.00875	0.6
99.04539	0.6
101.02456	11.9
103.04018	29.5
104.04379	0.6
113.02454	9.0
115.00402	0.5
117.05563	1.4
119.00160	0.4
119.02664	0.5
119.03515	10.0
131.03554	0.7
134.04741	0.8
143.03467	0.9
145.05061	1.4
149.04550	0.6
177.79324	0.5
179.05624	1.1
185.01210	0.5
201.98550	0.7
240.68489	0.5
265.09259	100.0
266.06711	1.0
266.09534	6.2
273.12167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2171
Annotation	Hydroprene
Peak:m/z	Relative Intensity
54.98817	0.2
59.01382	1.4
61.98838	0.4
62.20099	0.2
62.73563	0.2
70.46429	0.8
79.95773	0.3
93.99853	0.3
96.96017	11.3
103.86590	0.2
119.45446	0.2
121.03008	0.2
127.14673	0.2
177.02127	0.3
194.03073	0.2
198.09846	0.3
199.27209	0.3
203.52605	0.3
247.20726	0.4
265.14914	8.7
265.21704	100.0
266.15121	0.5
266.19183	0.5
266.22043	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	263.2013
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01374	2.8
61.98835	0.4
69.50572	2.8
71.01404	0.6
98.20635	0.5
120.92392	0.3
127.07673	0.4
191.18204	0.4
245.19067	0.5
263.20123	100.0
264.20468	11.1
264.23297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37652	0.4
55.01867	0.5
57.03444	2.4
58.00576	1.8
59.01374	40.8
60.01696	0.7
61.98831	0.9
70.40987	1.1
71.01381	21.4
72.01709	0.6
72.99319	1.9
73.02944	1.1
75.00871	1.7
83.01405	1.1
85.02954	20.0
87.00877	1.5
89.02445	19.3
89.03008	0.7
95.01394	1.4
101.02453	13.5
103.04015	32.3
104.04352	0.8
113.02452	8.8
113.25550	0.3
115.00432	0.4
117.05607	1.8
119.00182	1.1
119.03505	8.1
124.99359	0.3
127.00711	0.8
128.34500	0.4
131.03531	0.6
143.00107	0.4
143.03503	0.9
145.05049	1.3
157.01831	0.5
161.04523	0.9
163.04030	0.4
169.01790	0.9
177.05846	0.4
179.05602	1.4
201.98277	0.7
242.83672	0.4
257.18753	0.4
265.09247	100.0
266.06827	0.6
266.09598	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	259.0223
Annotation	alpha-D-galactose 6-phosphate
Peak:m/z	Relative Intensity
57.03447	4.9
57.92896	1.1
59.01371	2.5
68.99802	2.2
70.21452	5.3
70.21790	1.6
71.01396	9.9
72.99326	1.7
75.00880	1.2
78.95908	72.1
80.96519	2.0
83.01399	3.5
85.02964	4.9
87.00893	3.7
88.98843	2.0
93.03498	1.5
96.96974	100.0
98.02473	1.2
99.00883	11.9
101.02471	2.6
107.05055	1.8
111.00902	11.7
112.98830	24.5
115.00373	2.0
128.03543	2.0
129.01981	7.2
135.04530	5.1
138.78011	1.3
138.97998	6.5
145.01378	2.3
149.55927	1.2
168.99118	2.8
173.00931	6.8
187.00716	3.3
191.02023	2.4
199.00204	3.4
205.03554	1.6
241.01225	4.2
258.99213	3.3
259.02213	17.9
259.04727	2.0
270.35797	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0878
Annotation	(+)-Neothramycin A
Peak:m/z	Relative Intensity
59.01377	5.8
64.76284	0.5
66.96388	0.5
69.54507	3.5
70.02977	10.6
72.04547	4.4
73.02957	1.1
74.02474	100.0
75.00860	0.6
75.02809	1.3
80.96537	0.6
84.04546	1.4
88.96494	0.4
90.21825	0.6
98.02483	25.9
99.01525	0.5
99.02821	0.7
109.01690	0.5
116.03545	57.9
117.03879	1.3
128.03540	7.8
132.04568	32.2
133.04903	2.1
144.04556	5.7
148.96100	0.5
160.02478	0.5
173.07153	1.0
175.08774	1.7
188.06927	0.8
201.06693	14.9
202.06918	1.1
217.09813	0.9
219.07776	3.6
219.12312	0.7
233.04514	0.6
243.07767	1.0
261.08771	36.0
262.09140	3.1
274.09741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20184	0.5
59.01377	100.0
60.01709	1.2
61.55794	0.5
61.65168	0.6
65.41035	0.4
69.22843	5.7
71.01392	0.8
72.57421	0.5
73.02959	1.0
101.02473	1.1
103.49026	0.5
138.29192	0.5
139.95349	0.5
191.66234	0.5
196.04831	0.5
201.85500	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1134
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01878	6.3
57.03447	5.5
58.00594	2.3
58.92656	0.4
59.01377	35.4
61.98816	0.7
69.03448	1.5
69.34276	2.1
69.34700	3.3
69.48504	0.5
71.01383	100.0
71.05021	21.4
72.01711	1.5
72.99308	2.7
73.02950	31.9
73.06590	4.2
74.03313	0.6
74.13438	0.4
75.00874	3.0
80.96523	0.5
81.03465	0.7
83.01392	11.0
83.05032	11.7
84.02204	0.6
85.02959	41.8
86.03292	1.1
87.00864	3.3
89.02455	7.6
95.01389	8.2
95.05106	0.5
95.64097	0.6
96.96955	0.5
97.02972	2.0
99.00890	12.5
99.01891	0.6
99.04548	1.8
101.02455	54.9
101.06091	46.0
101.07063	0.7
101.07909	0.5
102.02785	0.9
102.06452	0.9
110.12476	0.4
111.00873	1.3
111.04541	0.9
113.02460	40.1
114.02789	1.1
115.04046	0.8
117.00464	1.2
117.05596	0.5
119.03510	3.1
123.04547	0.6
123.10202	0.5
125.00979	0.8
125.02438	2.5
129.01961	1.9
131.07156	0.5
143.03523	3.0
149.06129	0.6
153.21478	0.5
159.03001	6.5
161.04568	25.5
162.04919	1.1
164.93007	0.5
167.02008	1.0
179.05711	0.6
185.86658	0.5
205.03532	0.8
235.71243	0.6
263.05951	4.6
263.11282	4.7
264.06244	0.6
264.11737	0.8
270.60254	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98827	100.0
70.77982	0.3
70.78381	0.4
71.01387	0.3
80.30473	0.2
112.98842	0.6
121.01166	0.4
123.26913	0.2
137.02492	0.3
142.99866	0.8
149.00681	0.3
160.93178	0.2
165.56076	0.2
167.01709	0.3
169.20798	0.2
173.00984	0.4
192.99806	0.3
228.15817	0.2
236.00423	0.2
255.23251	2.9
263.63098	0.2
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
51.75066	4.4
59.01373	56.2
63.07962	4.4
70.44936	6.4
70.45287	15.7
74.31878	4.8
74.55318	4.5
190.96233	6.1
193.07228	9.9
253.21686	100.0
254.22014	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	254.015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67844	0.2
54.48943	0.3
59.01375	2.5
60.01702	0.4
61.98826	100.0
69.34199	0.3
69.43510	1.0
69.43935	1.3
71.01377	0.6
72.65440	0.3
72.99315	0.7
73.02945	0.4
75.00864	0.7
78.95912	0.7
86.92995	0.3
87.00892	0.5
87.35587	0.3
89.03971	0.5
90.74336	0.2
93.03478	1.0
94.03851	0.3
97.01193	0.6
99.00950	0.3
99.55118	0.3
119.61230	0.3
121.01198	3.0
133.02982	0.4
137.02443	3.7
138.02785	0.6
139.02257	1.3
142.99890	0.5
149.00684	2.7
166.05011	0.3
166.08745	0.3
167.01761	1.1
168.37334	0.3
170.11359	0.3
173.00923	0.4
183.01256	0.4
186.00957	0.3
192.99643	2.2
211.00595	0.4
218.10249	0.4
232.57222	0.3
236.00377	0.3
254.06775	0.3
254.99661	1.0
255.23280	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	251.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71806	0.8
54.59015	0.7
55.01870	7.9
57.03445	7.1
58.00589	2.2
59.01376	72.1
60.01709	1.9
61.41378	0.7
61.98822	5.1
67.38728	0.7
69.03452	1.1
70.08941	3.5
71.01382	100.0
72.01716	2.3
72.99294	5.4
73.02946	33.3
75.00885	2.2
81.03458	1.1
83.01392	15.4
85.02955	44.0
86.03298	0.9
87.00883	4.9
87.04521	2.0
89.02449	20.7
89.06071	0.9
95.01391	7.8
97.02940	2.3
99.00887	12.8
101.02451	85.7
101.37177	0.7
102.02790	3.0
102.97105	0.8
111.00879	1.8
113.02457	37.1
114.02818	1.3
119.03534	3.7
125.02459	2.2
129.01952	3.4
131.03511	1.6
141.01991	0.8
143.03503	4.4
145.55780	0.7
159.02995	10.4
161.04567	46.9
162.04944	2.3
165.06746	1.0
205.03539	1.5
246.68423	0.8
251.11343	26.6
252.11658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
57.03459	0.9
58.02970	22.3
59.01373	6.6
61.65478	0.7
61.98827	1.6
65.00702	0.8
69.46326	6.0
69.55814	0.7
70.02976	17.4
70.50970	0.7
71.01387	2.4
72.00906	3.5
72.04550	2.7
72.99273	1.1
73.02950	1.2
74.02473	100.0
75.00875	2.5
75.02809	1.2
80.25051	0.7
84.04569	0.7
85.02971	0.7
87.00891	1.0
98.02486	23.9
99.02792	0.9
113.02442	1.2
115.34798	0.7
116.03548	32.1
116.05065	31.6
116.05695	0.8
117.03886	1.0
117.05415	2.1
120.05014	1.8
121.05865	1.1
129.01956	0.9
130.06638	4.4
131.06107	0.8
139.11305	1.3
139.12671	0.9
142.06609	8.6
153.09250	1.1
156.08237	0.9
159.09288	6.2
160.02528	1.0
177.04134	0.9
183.09270	2.3
186.05569	1.9
186.86467	0.7
187.06090	3.0
197.44055	0.7
201.10335	10.1
203.08258	89.1
204.08609	7.5
245.09288	99.6
246.09599	10.8
249.06172	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45300	0.9
57.03455	2.9
58.00578	6.7
59.01376	22.0
61.98827	10.7
65.42717	1.0
68.99829	1.0
70.17892	4.8
71.01386	12.0
72.02170	3.1
72.04537	1.2
72.99317	3.4
73.02952	3.7
75.00886	2.0
75.48780	0.9
78.95901	9.2
80.02702	1.2
81.07105	1.7
83.01403	2.3
83.05046	1.4
85.02953	3.2
87.00887	22.9
89.02454	9.3
95.05032	5.1
96.96978	6.5
97.06588	13.8
97.07113	1.4
98.02470	1.0
99.00923	1.4
99.04536	1.0
99.08170	9.3
99.92632	1.1
101.02446	2.1
105.01942	3.0
107.05059	1.1
108.02169	3.9
109.06599	4.2
111.00886	1.6
111.04476	1.6
111.08180	2.4
112.01631	1.1
113.06105	1.0
116.92886	1.4
125.06107	4.4
127.07664	100.0
128.07980	5.1
129.01990	5.1
129.09233	4.9
130.08801	5.8
137.06081	9.4
138.06511	1.0
139.07654	10.0
142.06630	4.0
144.00647	2.1
147.02982	5.3
149.06120	1.8
151.07726	1.5
152.99609	1.0
153.09286	1.4
155.07155	40.9
155.08395	2.3
156.07498	2.3
157.08705	3.5
163.07607	1.0
167.07118	3.7
171.06624	1.7
174.03226	1.6
183.01353	1.1
185.08145	6.1
199.09776	1.9
202.08804	2.7
204.19693	0.9
227.07336	1.1
227.10463	1.5
245.01056	2.6
245.04443	3.0
245.08397	1.4
245.10222	8.7
246.11314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21883	0.5
59.01382	1.6
61.98830	100.0
62.98549	0.5
68.24309	0.4
69.52243	0.4
69.54980	3.6
71.01394	0.8
78.95911	18.5
83.01364	0.5
86.02476	0.4
87.00891	0.5
87.92525	0.4
93.16318	0.4
96.66377	0.5
96.96981	2.9
101.02464	0.4
112.98821	0.5
114.81002	0.5
116.07204	0.5
119.03506	0.5
140.07336	0.5
152.99614	0.8
161.49025	0.4
172.99452	1.0
210.07663	0.5
244.99806	0.9
245.04510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0453
Annotation	6-Methoxysorigenin
Peak:m/z	Relative Intensity
51.92317	0.3
59.01365	0.9
60.35679	0.3
61.98826	3.8
63.06718	0.3
71.59402	0.4
73.25001	0.3
79.74304	0.3
84.78705	0.3
95.01389	0.3
97.74220	0.3
118.04224	0.8
125.02483	0.4
129.03546	0.4
131.05020	1.7
142.06596	0.8
145.06627	0.4
147.04568	0.4
149.06070	0.3
157.02921	1.1
158.03778	0.4
159.04524	0.8
161.02419	0.4
162.03262	1.1
163.07648	0.6
165.59390	0.3
173.06079	5.2
173.09799	0.3
174.03178	3.3
174.06401	0.6
175.04007	4.6
176.04305	0.3
178.57404	0.3
179.63712	0.3
181.05508	0.3
185.02411	0.7
189.01942	1.5
197.50893	0.3
201.05577	0.7
202.02724	0.4
203.03448	1.7
204.06644	0.4
217.05043	32.9
218.05399	2.9
245.04526	100.0
245.89442	0.5
246.04855	11.1
246.07353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.5
59.01379	30.7
61.98829	56.2
68.85803	2.7
69.52370	23.0
71.01385	23.0
72.01756	2.9
73.02950	7.2
75.00866	3.8
78.95918	13.8
83.01415	6.2
85.02932	5.5
87.00906	3.0
89.02464	12.4
99.00903	9.1
101.02463	15.4
103.27261	3.3
111.00893	5.1
112.98820	21.1
116.00605	2.9
129.01952	10.1
142.99884	18.9
169.97047	2.6
173.00946	26.9
180.95816	3.2
181.07198	100.0
182.07404	3.1
205.03561	11.3
208.98602	8.8
220.88283	2.8
241.01439	6.0
241.14345	3.6
241.18118	3.1
241.21700	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	244.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10651	0.4
55.99862	0.4
56.95150	0.4
59.01376	1.5
61.98828	100.0
69.70824	0.4
71.01398	2.7
72.99322	1.3
78.95905	12.2
78.96323	0.8
83.01391	0.6
84.04551	1.7
85.02975	1.2
87.00871	1.0
87.92553	0.6
95.05002	0.5
96.96965	7.8
99.00912	1.9
101.02461	0.9
101.57949	0.4
102.05637	0.8
103.92049	1.2
111.00895	1.4
112.98811	3.4
113.02450	0.6
115.00379	1.0
116.07216	0.5
128.03601	0.9
129.01945	1.1
130.98389	1.5
137.57855	0.5
146.04648	1.3
152.99603	6.4
157.08575	0.6
157.29863	0.5
171.00688	2.0
172.95552	0.6
172.99448	4.2
173.00897	1.4
184.95805	1.1
200.09319	0.9
200.22992	0.6
207.60066	0.5
215.42682	0.5
244.08185	0.9
245.04401	8.6
245.08081	0.9
245.10373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.01709	1.2
61.98827	4.3
64.57104	0.8
69.65725	5.8
71.01382	3.0
72.60424	0.8
73.02940	1.7
75.00892	1.0
78.95904	9.8
82.85989	0.7
85.02959	2.6
87.00870	8.2
89.02448	2.7
90.57919	0.9
91.04955	0.9
93.30417	0.8
97.02962	1.7
98.02484	14.3
99.00884	3.3
101.02422	1.8
117.01981	2.6
125.02446	2.0
136.94038	8.4
136.94974	1.9
137.94051	1.2
141.02000	1.1
142.92287	0.8
152.94562	0.7
161.04546	10.0
178.94823	11.7
178.96321	2.4
179.05617	46.3
179.95102	1.2
180.05989	2.6
196.97920	2.6
210.94270	1.1
223.02827	5.0
239.12889	2.3
240.03537	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	237.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.01379	1.6
70.77556	0.2
71.01387	1.3
71.54947	0.3
71.88856	0.2
72.99300	0.3
73.02908	0.2
75.00884	2.2
76.84074	0.2
78.20641	0.2
78.95911	0.5
85.02961	1.8
87.00881	100.0
88.01214	2.6
89.02433	0.2
97.02955	0.4
99.00806	0.2
101.02389	0.3
111.00886	0.4
115.00407	0.6
120.99672	0.7
129.01955	12.4
130.02258	0.5
199.22856	0.2
218.86885	0.4
219.05128	0.5
237.06137	8.8
238.06555	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03443	2.7
57.16026	0.5
59.01376	6.2
69.72084	3.0
71.01376	5.8
72.99320	4.0
73.02938	1.5
74.99100	0.4
75.00872	10.4
78.36310	0.5
80.96495	0.6
81.03446	1.3
83.01408	0.9
85.02945	6.9
87.00881	100.0
88.01189	2.3
89.02448	1.7
90.72089	0.5
97.02954	1.0
99.00907	2.5
101.02457	3.0
105.00209	0.6
111.00873	1.5
113.02487	1.2
115.00379	2.7
119.03520	0.5
120.99657	4.9
125.02471	3.8
129.01949	15.8
141.01923	0.7
143.03484	0.8
147.03036	1.5
149.00710	0.8
159.03017	1.6
161.04637	0.7
177.04088	1.3
194.08264	0.6
205.03508	3.8
237.00768	1.0
237.06163	14.0
238.06665	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
62.16682	0.4
63.53924	0.4
69.52412	0.6
69.52859	2.7
71.01384	15.4
75.64372	0.3
76.18932	0.3
82.25174	0.3
90.71471	0.3
98.20582	0.8
115.00385	10.6
121.02966	100.0
122.03307	6.4
126.57181	0.4
168.03247	0.4
174.93057	0.4
237.04004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75449	0.3
52.17617	0.3
55.01883	0.8
56.98016	0.3
57.03446	0.9
59.01377	4.9
61.98829	100.0
67.72337	0.3
69.87971	0.3
70.51764	0.9
71.01382	5.2
72.99311	0.5
73.02959	2.0
74.02454	0.3
75.00525	0.3
75.00866	1.6
78.58867	0.3
78.95905	1.1
79.27563	0.3
79.95737	0.3
80.96526	0.6
83.01401	2.5
85.02959	3.3
87.00883	18.8
88.04034	0.3
89.02467	0.8
95.01398	0.4
99.00917	1.1
101.02456	4.8
107.03766	0.4
108.04559	3.3
111.00904	0.4
112.98820	0.3
113.02482	1.7
115.00390	1.1
119.03565	0.5
120.99689	1.1
122.03637	0.4
125.02479	0.4
129.01967	3.5
136.94070	0.4
142.99883	5.3
143.00935	0.5
147.03185	0.7
148.03732	0.4
149.00697	0.9
149.02562	0.3
159.03069	0.9
161.04611	1.8
164.07179	2.6
171.78574	0.3
173.01028	0.7
177.04131	1.3
192.05235	2.2
192.06761	2.9
192.97626	1.4
192.99692	2.5
193.07076	0.3
194.03104	1.5
194.98232	0.4
205.03365	0.4
207.05219	0.3
236.05624	1.8
236.07744	0.5
236.96565	1.8
236.98663	0.6
237.04147	0.5
237.06219	3.0
237.09721	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0928
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
57.03443	1.3
57.13422	0.6
59.01375	5.2
61.98831	12.8
70.02979	0.6
70.15964	3.4
71.01377	4.2
72.00909	1.7
73.02935	4.2
75.00875	2.4
78.95899	0.6
80.96506	0.7
83.01396	1.1
83.11937	0.6
85.02937	2.9
85.66644	0.6
86.02498	1.2
87.00884	6.9
88.04048	100.0
89.02437	1.1
89.03796	0.8
89.04384	2.1
91.05532	2.7
99.00849	1.3
100.04056	12.8
101.02448	2.6
113.02454	0.8
115.00394	1.3
118.06676	1.1
121.01222	0.7
121.02947	1.4
123.04599	0.6
129.01962	3.9
135.04475	0.9
139.00385	0.9
144.08148	1.0
146.06122	0.8
146.09758	6.0
146.99141	1.3
147.04535	20.2
147.99886	1.7
148.04950	1.5
148.07635	1.8
149.00677	3.3
149.06096	3.1
149.09723	0.7
159.03040	1.4
160.98094	0.6
161.02454	1.1
161.04613	1.3
162.05640	1.8
163.04013	0.8
164.05849	1.1
164.07182	17.5
165.05592	1.4
165.07562	1.3
174.09277	3.3
175.04001	0.7
177.04089	1.3
179.03516	1.1
185.11571	0.6
190.08728	3.4
192.06653	1.1
192.08533	1.1
192.10306	21.6
192.99684	9.6
193.05070	1.9
193.10600	1.5
204.04231	0.8
206.99402	0.8
207.03020	2.0
218.08290	0.6
218.99327	0.7
222.05333	1.3
236.09268	89.2
236.98634	1.3
237.04109	1.6
237.07628	5.5
237.09627	9.5
237.14828	0.7
249.87283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1187
Annotation	n-Butyl-beta-D-fructopyranoside
Peak:m/z	Relative Intensity
53.72532	0.9
55.01875	10.7
57.03451	8.0
58.00588	4.2
59.01378	75.7
60.01706	2.8
61.98821	4.0
64.27305	1.0
71.00082	2.8
71.01385	87.7
71.05006	2.1
72.01720	2.8
72.76939	1.1
72.99329	5.4
73.02950	39.5
73.06558	1.4
75.00887	2.7
76.81558	1.0
83.01395	23.2
85.02960	54.3
86.00087	2.3
86.03267	1.8
87.00882	4.0
89.02450	9.6
95.01382	7.8
97.02955	1.8
99.00893	15.6
101.02454	100.0
102.02789	2.9
104.89217	0.9
107.77604	1.1
111.00892	3.3
112.91522	0.9
113.02460	42.5
114.02766	1.6
119.03488	2.1
120.04538	1.6
125.02471	2.8
129.01942	2.4
138.55829	0.9
143.03539	2.9
148.07695	2.0
159.03021	7.6
161.04573	25.4
161.07614	1.0
163.04019	1.3
163.07617	1.9
173.06020	1.5
191.07123	3.0
191.85112	1.1
205.03426	1.1
235.02538	1.0
235.06200	2.4
235.11850	32.4
236.05717	2.2
236.12273	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	234.0981
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
55.01842	0.5
57.03436	0.6
59.01375	12.1
60.01712	1.5
61.98862	0.6
71.01386	5.9
71.05017	12.7
71.55534	0.6
72.00904	2.0
72.99309	1.1
73.02960	1.7
75.00869	1.1
80.96516	0.9
83.01389	1.0
83.04997	0.5
85.02961	2.6
86.02477	6.6
87.00893	4.1
88.01257	0.5
93.03460	0.7
94.03811	0.7
98.06113	0.5
99.00880	1.0
99.04539	3.3
101.02448	3.5
103.03970	0.5
104.03545	96.4
105.03889	2.1
113.02458	1.7
116.07184	1.0
124.57090	0.4
129.01939	0.9
129.05568	1.2
132.03052	3.0
146.08238	10.4
147.01263	0.7
147.04536	0.8
147.06645	1.2
147.08583	0.8
158.08214	1.5
161.04601	1.1
188.09283	6.1
189.09637	0.5
191.07112	0.6
234.09814	100.0
234.15822	3.2
235.02733	0.7
235.07976	0.4
235.10057	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	230.0128
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
53.99427	0.6
56.72619	0.7
59.01373	3.0
66.03492	1.7
69.47704	7.0
73.01178	5.7
73.02951	1.6
79.39011	0.6
80.05069	2.0
82.02973	7.1
82.40382	0.9
83.05022	0.9
92.66077	0.8
96.04552	26.2
96.95991	0.8
97.04903	1.0
98.19868	1.0
98.99110	4.5
107.05028	1.8
108.04565	30.2
109.04890	1.3
114.00205	83.1
115.00509	2.4
116.37024	0.8
130.08734	1.1
131.62822	0.9
142.03333	100.0
143.03661	5.2
143.07170	1.0
151.04062	4.1
186.02306	39.3
187.02531	2.6
187.06148	1.6
230.01262	95.0
230.99513	2.5
231.01578	6.3
231.08667	1.4
234.90927	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	21.3
59.01377	100.0
60.99269	3.0
62.91224	1.7
64.48306	1.6
65.66883	1.5
66.54900	1.7
67.01891	5.7
67.12218	1.8
68.99808	4.6
70.82644	5.7
71.01389	57.3
72.99283	1.7
73.02947	9.5
83.01393	15.0
85.02950	13.5
87.00891	4.5
96.60302	1.8
96.96929	3.3
99.00887	29.6
100.49619	1.9
101.02459	7.9
106.55386	1.6
111.00894	31.6
115.92087	1.9
125.12478	1.7
127.04041	2.4
129.01070	3.3
129.01961	43.7
145.01471	13.4
160.89261	5.6
161.89407	4.7
173.00923	4.1
173.04517	2.0
211.95900	1.8
233.06636	4.4
233.10243	1.9
233.15414	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	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
59.01382	0.4
69.35718	0.8
69.36143	1.4
71.05019	0.5
80.02682	1.9
81.03032	0.4
81.03458	1.6
83.01374	0.5
83.05027	6.9
84.02170	3.3
84.05361	0.4
90.68016	0.2
95.05038	0.8
97.06609	0.4
111.08164	0.2
125.06111	0.9
125.09725	0.4
127.11288	0.3
135.08168	1.0
139.11299	0.2
147.11766	0.4
163.11310	5.0
164.11594	0.5
165.12848	3.8
166.13199	0.4
180.72980	0.2
181.12350	1.0
183.13924	0.9
191.10828	1.2
199.13397	0.5
209.11827	100.0
210.12173	10.0
210.14197	0.3
227.07054	1.0
227.12888	4.6
227.16478	0.3
227.20132	0.9
228.13174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
71.35996	1.2
72.38219	0.6
77.94146	0.6
89.21359	0.7
108.95666	0.8
111.08192	1.3
128.86171	0.7
129.99304	0.7
136.73029	0.7
146.25066	0.7
165.12857	21.7
166.13219	1.9
183.13910	100.0
184.14244	10.1
209.11832	2.3
227.12886	26.5
228.13226	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60708	0.7
57.03442	0.8
59.01103	0.8
59.01377	10.9
60.99332	0.8
61.01801	0.9
61.98823	0.9
63.04800	0.8
69.03453	1.2
70.71956	1.6
70.72296	1.0
71.01374	1.3
71.05021	0.9
71.78438	0.8
80.02672	1.6
81.03455	3.5
83.05036	3.1
84.02166	3.2
85.02941	1.3
93.03455	3.4
95.05021	1.7
97.02959	11.9
99.00902	1.3
107.03017	0.7
107.05032	1.2
109.06602	38.1
110.03763	4.0
110.04407	0.7
110.06953	1.6
121.06597	2.4
123.04585	0.8
123.08155	1.0
125.09750	1.3
125.43230	0.7
135.08197	4.3
136.05313	2.6
137.02448	2.3
142.02757	6.4
153.12918	1.6
161.09755	2.3
163.11296	25.0
164.11621	3.2
165.01877	1.1
174.57297	0.8
180.04305	2.2
181.01424	0.9
181.10832	1.3
181.12357	15.6
182.12721	2.2
195.02924	1.4
195.06573	1.2
196.87222	0.7
197.11786	2.0
206.38091	0.7
206.99202	1.3
207.10263	87.5
208.10620	8.8
210.05315	1.0
224.90633	0.9
225.00429	0.9
225.07674	2.4
225.11320	100.0
226.11662	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	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42303	0.3
52.24071	0.3
53.86801	0.3
55.02890	0.3
56.46295	0.3
57.03437	0.4
59.01359	0.5
69.53162	2.9
71.05001	0.8
80.02688	2.0
81.03458	1.7
83.01368	0.5
83.05026	6.7
84.02160	3.8
85.45336	0.3
87.44250	0.3
95.05032	1.0
102.27335	0.3
109.06604	0.4
111.00882	0.4
111.08183	0.4
125.06083	0.8
135.08171	1.2
139.00319	0.3
139.11264	0.3
147.11899	0.6
148.73160	0.3
163.11310	6.4
165.11571	0.5
165.12843	4.6
166.13231	0.4
181.12366	0.8
183.00488	1.0
183.13936	2.4
191.10774	1.2
199.13373	0.8
209.11823	100.0
210.12144	9.3
227.03217	1.5
227.12909	6.1
227.16501	0.4
227.20134	1.9
228.13225	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03447	13.6
58.57412	0.5
59.01377	8.3
67.01868	0.7
67.18305	0.6
68.99805	1.2
69.03461	0.9
71.01379	9.5
71.24911	0.5
71.25268	1.3
72.99308	25.7
73.02952	2.2
75.00880	7.4
78.95911	1.4
81.03462	11.0
83.01389	7.0
84.02161	2.0
85.02954	73.1
86.03304	3.1
86.68165	0.5
87.00890	5.0
90.72032	0.5
97.02940	1.1
99.00887	12.5
101.02457	7.6
103.00355	0.7
103.03985	0.7
111.00890	26.9
112.01258	1.3
113.02476	5.0
115.04063	0.6
117.01945	3.2
125.02458	39.2
126.02776	2.1
129.01955	59.3
130.02293	2.6
131.03526	1.3
142.84109	0.6
143.03516	6.2
147.01839	1.2
147.03006	21.0
148.03317	1.3
159.02943	0.7
161.04543	3.3
169.01405	1.4
187.02507	1.6
197.02849	0.6
205.03531	48.6
206.03897	3.9
223.04584	100.0
224.04907	6.5
235.10167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.134
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
57.03441	1.4
58.38576	0.6
59.01380	21.4
69.03455	5.4
71.01382	0.9
71.05002	2.3
73.88549	0.7
83.05047	0.9
85.06593	1.5
90.17014	0.7
98.20695	1.2
100.12945	0.6
109.06608	1.8
122.08002	0.6
125.09744	1.1
133.48135	0.7
135.08266	0.7
149.09740	1.1
153.09302	0.6
161.13380	1.4
163.06120	1.8
167.10796	8.4
169.98053	0.7
177.12848	1.0
179.10796	3.5
179.14420	11.0
180.14716	1.4
195.13910	24.6
196.14209	2.6
205.12328	20.0
206.12685	2.8
223.13393	100.0
224.13715	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	225.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39516	1.4
59.01372	8.2
61.01798	2.0
61.27503	1.5
61.98836	4.1
71.36035	2.8
73.02942	14.0
81.29665	1.7
93.03467	3.3
95.05017	3.7
97.02953	1.7
109.06590	4.4
126.90497	2.0
137.02393	2.6
153.12901	2.0
163.11314	17.3
165.01886	4.6
165.07697	1.6
181.12341	100.0
182.12651	10.9
182.45796	1.6
195.06670	2.4
207.10294	12.4
210.05223	2.0
225.00395	2.0
225.11308	99.0
225.92601	3.0
226.11629	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	221.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29315	0.3
55.01882	2.7
57.03439	3.1
58.00589	1.7
59.01379	100.0
60.01715	2.0
69.03472	0.8
69.61669	0.3
69.67404	2.2
71.01387	28.5
72.01716	0.6
72.99313	2.1
73.02953	13.5
73.60629	0.4
74.02474	9.2
75.00869	0.9
81.03460	0.7
83.01393	7.7
85.02959	16.4
86.00121	0.5
86.02498	2.4
86.03291	0.5
87.00880	1.8
89.02453	4.0
95.01420	2.1
97.02973	1.0
99.00887	5.1
99.04552	0.5
100.26552	0.3
101.02457	31.3
102.02811	1.0
111.00935	0.6
113.02468	11.5
119.03521	1.5
120.01256	0.3
125.02493	1.0
129.01968	2.6
131.03502	1.6
132.08228	1.1
133.05066	0.4
135.04604	0.4
143.03543	1.5
147.04544	6.5
149.06108	1.3
159.02989	1.8
161.04587	10.9
162.04884	0.5
163.00523	0.3
164.07217	0.7
176.07213	0.4
177.05614	0.7
178.02773	0.3
178.08742	3.1
179.10936	0.4
190.99921	1.0
204.06873	0.4
206.02353	0.7
206.09627	0.5
219.32516	0.4
221.04713	1.5
221.06723	1.0
221.08398	0.6
221.10219	8.7
222.07727	8.4
222.10690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
57.03449	18.6
59.01378	97.7
61.98801	1.6
67.01891	1.1
67.44755	1.2
68.99822	1.7
69.03445	2.1
71.01383	16.6
71.46119	1.5
71.46454	1.6
72.99311	23.5
73.02960	5.5
74.01571	1.0
75.00877	7.8
81.03465	7.9
83.01385	9.2
84.02170	2.8
85.02957	100.0
86.03282	3.8
87.00873	6.3
93.03476	2.9
99.00886	11.0
100.02733	1.1
101.02454	15.2
103.00391	1.2
107.05035	3.7
111.00893	42.7
112.01197	1.9
113.02470	5.3
117.01903	2.5
119.05033	6.2
125.02464	32.3
126.02774	1.7
129.01950	61.1
130.02284	1.7
135.04532	4.0
137.02446	3.1
143.03500	4.7
147.03003	18.3
161.02519	2.0
161.04546	5.3
163.06140	14.0
179.03502	1.5
181.05119	2.7
187.02515	2.4
205.03542	59.7
206.03925	3.7
208.03818	1.6
223.04581	99.5
224.04895	6.7
236.40356	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01374	2.7
69.97615	2.0
70.79261	0.4
71.01384	11.7
71.05022	15.5
72.00911	0.9
72.01711	0.5
72.05357	0.7
75.00884	0.4
77.49944	0.4
88.04049	100.0
89.03896	0.4
89.04392	1.9
90.26209	0.5
99.04520	4.6
116.07198	2.8
129.05560	1.0
146.08247	44.4
147.08603	2.3
165.24074	0.4
194.01125	0.5
218.10333	31.2
219.10696	3.1
219.17583	2.4
222.68370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01389	0.5
61.00751	0.2
61.98826	0.8
69.03442	0.7
71.26826	0.4
74.90854	0.2
76.01010	0.2
83.05033	0.5
84.88970	0.2
89.02410	0.2
95.01371	0.7
123.00881	0.3
125.32174	0.2
134.47964	0.2
137.09744	0.2
139.00371	0.3
144.31891	0.2
145.31258	0.2
151.06154	0.2
152.14529	0.2
153.05629	0.3
155.10768	0.2
164.98267	0.5
165.12883	0.6
167.10753	0.9
167.14453	1.4
181.01486	0.2
181.05182	0.2
183.13913	13.0
184.14268	1.1
190.93698	0.2
193.12361	3.0
196.03754	0.4
211.13391	100.0
212.03423	0.3
212.13742	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	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39730	0.3
55.01878	2.6
55.36784	0.3
57.03445	2.7
59.01368	0.6
60.11905	0.3
61.98829	2.3
66.39595	0.3
67.73282	0.2
69.03452	0.6
71.61296	0.4
72.74515	0.3
73.02930	0.3
73.94019	0.3
76.18179	0.3
81.03471	0.8
83.05019	0.8
85.02954	0.3
87.04521	0.9
94.04259	1.2
95.05058	0.9
97.02961	0.6
98.22589	0.3
107.08704	0.4
109.06607	2.4
119.08680	0.6
120.05842	1.4
120.89904	1.1
121.06601	0.4
121.89706	0.5
123.00906	0.3
125.02435	0.3
125.09796	0.3
135.08176	19.1
136.08501	1.2
137.09737	100.0
138.10074	7.7
151.07674	0.6
151.11319	0.4
169.12364	0.7
181.08719	1.7
183.13979	0.5
184.90268	0.4
194.99341	0.4
195.10353	0.3
195.13956	0.5
197.99133	0.3
213.05571	0.5
213.07834	0.4
213.11319	6.8
213.14920	4.0
213.18631	1.2
214.01521	0.4
214.05042	0.4
214.11696	0.8
214.15439	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.88702	0.2
50.97853	0.2
51.00635	0.2
53.69476	0.2
59.01371	0.3
61.98838	0.4
70.96702	0.4
70.97077	0.4
73.96471	0.2
84.29160	0.2
95.78240	0.2
111.08127	0.2
129.39508	0.2
137.09734	0.2
165.12764	0.2
177.12851	0.3
183.13914	23.6
184.14265	2.5
195.13911	20.5
196.14244	1.9
211.13373	0.5
213.14961	100.0
214.15302	11.8
214.17424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0977
Annotation	(-)-Methylenolactocin
Peak:m/z	Relative Intensity
51.23890	1.2
55.01865	2.1
57.03441	3.3
59.01372	5.4
59.03848	1.4
61.98565	1.2
61.98824	8.6
71.13983	1.4
71.61886	1.9
93.03510	1.6
95.01400	6.0
99.08160	1.8
109.02927	1.5
111.00883	3.5
111.08172	1.5
121.65458	1.4
123.00902	4.9
137.02510	1.6
139.00385	2.8
148.01656	1.5
151.06152	2.9
152.18213	1.3
153.02020	1.6
164.98309	2.7
167.06129	2.1
167.10786	100.0
168.11154	9.9
181.01358	2.6
192.97824	3.0
193.12350	2.2
196.03584	2.5
210.99051	1.7
211.04158	2.4
211.06024	3.3
211.07932	2.6
211.09801	21.0
211.13394	21.2
212.10100	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	211.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82219	0.3
52.59350	0.3
55.61646	0.3
58.46773	0.3
59.01365	0.5
61.98831	3.3
69.03455	0.6
70.93759	0.5
77.27974	0.3
77.45180	0.3
83.05021	0.6
85.02982	0.4
89.17860	0.3
95.01399	0.9
107.07922	0.3
111.00883	0.3
123.00887	0.5
124.03990	0.4
125.04460	0.3
151.06171	0.6
153.05600	0.5
155.10786	0.3
164.98393	0.3
165.12863	0.6
166.99779	0.4
167.06096	0.5
167.10822	0.8
167.14413	1.1
181.01472	0.3
183.13918	12.7
184.14287	1.0
192.97765	0.4
193.12366	2.9
194.12645	0.3
196.03717	0.5
210.94887	0.5
210.98975	0.3
211.13405	100.0
212.13747	11.2
219.04298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98026	0.8
59.01371	4.3
61.98826	2.8
65.00311	1.0
67.03833	0.7
69.03462	0.8
71.01388	1.9
71.58234	0.8
74.99098	1.4
78.95913	2.2
80.05080	2.2
80.84814	0.6
80.98039	4.2
81.03446	0.8
85.02962	0.8
89.03979	6.7
91.01917	1.4
93.03437	3.1
95.01395	1.5
95.05029	2.0
96.96021	7.1
101.02471	1.0
102.81265	0.7
108.02167	2.0
109.01176	1.2
109.02959	1.3
109.06623	0.6
118.99745	0.8
119.05050	2.4
121.01207	3.9
121.02978	4.2
122.06123	1.1
123.00890	1.9
123.04546	4.4
123.05621	1.2
123.08189	1.0
123.99909	2.5
124.04066	2.8
124.07694	4.6
125.00668	0.7
125.02493	1.5
133.02956	4.5
134.03714	2.9
135.04527	1.4
137.00653	2.7
137.02426	1.6
138.01474	6.2
139.02277	9.3
146.99144	2.0
147.99971	1.5
148.01740	1.6
148.36261	0.7
149.00684	83.3
149.06091	2.1
150.01022	6.0
151.04030	1.1
151.06085	4.1
152.01138	2.0
153.05594	2.2
163.04021	2.0
167.01740	100.0
168.01974	7.6
168.05185	0.8
168.06653	2.7
181.01465	2.2
181.05078	2.3
192.97929	0.8
192.99622	9.8
196.03754	2.9
211.00717	52.8
211.02486	3.3
211.05920	4.6
211.07695	2.0
211.09727	1.5
211.13370	5.7
212.01086	4.7
212.05620	0.7
212.09262	1.1
212.13675	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	209.0667
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
55.01882	4.0
57.03451	24.7
58.00593	1.8
58.03762	0.8
59.01376	22.3
68.70570	0.5
68.99813	2.0
69.03445	1.2
70.80515	1.2
71.01381	10.9
71.14619	0.6
72.99313	2.0
73.02956	2.7
75.00881	0.6
78.95914	1.6
83.01396	5.4
84.02174	6.6
85.02956	71.6
86.00092	0.9
86.03289	2.3
87.00880	28.9
87.04537	1.8
89.02445	6.0
97.02941	2.7
98.20536	0.6
99.00893	4.6
101.02451	4.3
103.03978	0.6
110.98545	0.7
111.00878	6.4
111.17762	0.5
113.02471	0.6
113.99535	0.6
115.00385	1.8
115.04030	0.9
117.01975	0.6
129.01952	46.0
130.02310	1.8
131.03520	1.0
133.01428	3.6
135.03021	1.1
141.01909	3.7
159.03004	10.8
160.03288	0.6
191.05669	1.1
208.93668	1.0
209.06665	100.0
210.07004	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1184
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03440	2.4
59.01376	10.7
61.98830	37.8
63.91307	1.0
65.00313	0.9
69.03455	13.0
71.01373	2.8
71.04620	1.1
71.05009	1.8
71.55697	1.2
71.56120	1.0
81.03482	0.9
83.01406	1.5
83.05029	2.5
85.02947	2.4
89.02438	2.4
91.01907	1.3
92.99843	1.5
93.03464	5.1
94.02988	4.2
95.05022	2.2
96.96011	1.0
97.06602	2.2
109.02956	1.1
109.06591	1.5
111.08179	1.8
115.33324	0.9
120.02179	1.4
121.02969	100.0
121.10246	1.7
122.02541	1.0
122.03294	6.2
124.04058	8.6
127.07710	1.0
135.04626	1.0
135.08203	1.1
137.02428	2.4
137.06148	0.9
137.09818	0.9
144.53479	0.9
147.11885	1.0
151.04063	1.5
153.09248	4.4
161.02390	1.3
163.11290	2.3
165.00148	3.4
165.01910	1.7
165.05592	1.2
165.09201	2.7
165.12872	11.7
166.13202	1.7
179.03516	2.8
181.05061	1.0
181.07219	1.3
181.12367	11.5
182.12640	1.5
183.20126	0.8
191.07057	1.1
191.10794	15.4
192.11128	1.6
194.02161	2.6
194.05861	3.4
208.99191	1.6
209.01039	2.0
209.04596	17.4
209.06465	1.4
209.08449	2.7
209.11829	69.4
209.94899	11.5
210.04930	1.7
210.12166	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	207.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86192	0.5
57.03452	0.9
59.01378	22.9
60.43758	0.6
60.99311	0.7
70.43631	0.5
70.93692	1.6
71.01387	6.5
72.99308	6.8
73.02958	5.3
74.99106	1.5
75.00877	43.3
78.95908	3.4
85.02955	2.0
87.00888	9.1
88.98801	2.0
89.02457	7.6
99.00889	4.1
101.02429	2.8
111.00892	2.4
111.01588	0.6
111.30900	0.5
113.02497	0.6
117.01951	4.9
118.98103	13.8
119.03520	1.0
127.00366	1.1
129.01967	2.1
131.03555	1.5
135.03015	100.0
136.03363	3.3
136.94009	1.3
136.94958	0.8
147.03021	4.8
177.02005	0.7
206.95543	7.5
206.99704	2.2
207.05101	2.9
207.95680	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02973	37.7
59.01377	14.0
60.01680	0.8
68.24583	0.9
69.66070	2.1
69.66476	4.6
70.02978	14.4
70.29816	0.9
71.01379	2.1
72.00912	5.9
72.99277	0.8
74.25303	0.8
75.00882	1.1
78.28536	0.9
89.02463	0.9
91.05536	8.7
93.09708	0.8
106.99609	1.7
126.70720	0.9
129.01973	4.2
135.02980	1.0
135.04533	2.9
147.03062	3.8
147.04530	41.8
148.04854	2.9
149.02544	1.2
162.09207	2.3
162.98529	0.9
163.04031	1.3
163.11356	0.8
164.07176	100.0
165.05562	1.5
165.07536	7.4
176.20789	0.8
177.01930	7.4
180.99606	0.9
192.00641	1.1
192.04260	6.4
206.08221	47.7
207.03116	1.5
207.06613	3.4
207.08571	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	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20660	0.1
55.01863	0.1
57.03474	0.1
59.01373	2.3
61.98829	100.0
62.98529	0.2
63.99249	0.1
68.98049	0.1
71.01393	0.3
71.57074	0.1
71.57468	0.1
75.00875	0.2
85.02957	0.1
85.24255	0.1
99.00874	0.2
101.02454	0.1
122.02502	0.1
129.01967	0.6
129.12912	0.1
147.03014	0.6
147.04500	0.2
149.02411	0.3
162.98463	1.2
164.96410	0.6
165.05611	0.2
169.38506	0.1
177.01938	1.3
178.02261	0.1
192.00697	0.1
192.04294	1.3
193.04616	0.1
206.97447	9.8
207.06648	0.4
207.97557	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.4
57.03441	4.2
58.00602	2.2
59.01376	84.3
60.01722	1.8
61.98832	24.0
65.00320	1.8
67.01904	1.8
68.99809	12.9
69.92941	7.1
69.93368	4.3
71.01382	99.7
71.05018	4.0
71.83925	1.7
72.01730	2.4
72.99306	54.1
73.02958	9.5
73.73999	1.6
73.99635	2.0
75.00872	39.8
81.03476	4.1
83.01374	12.1
83.05016	5.3
85.02968	8.4
87.00881	52.1
88.98781	1.9
89.02455	6.6
96.99338	7.2
99.00890	44.7
99.04532	7.5
101.02438	17.6
103.00370	8.7
111.00887	29.6
112.98849	5.0
113.02494	2.0
115.00384	100.0
115.04010	2.9
116.00673	3.0
117.01929	13.6
124.98807	15.8
125.02463	29.0
125.06070	3.1
127.00381	11.8
129.01936	13.0
142.99864	25.8
143.03502	3.2
143.07159	3.9
145.01436	29.7
145.05109	3.8
146.01711	2.3
147.63875	2.1
154.99884	16.7
161.04506	3.3
161.05934	2.3
162.89336	2.0
173.00908	7.3
175.02522	9.1
187.02486	3.9
187.06163	3.6
190.02737	2.6
205.01505	4.8
205.03513	18.0
205.05107	6.2
205.06992	3.8
205.10706	3.9
205.12450	4.0
205.16016	14.0
206.04327	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	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.1
57.03442	4.8
58.00587	2.0
59.01093	4.2
59.01377	75.0
68.99807	9.5
69.51167	7.1
69.51586	11.2
71.01385	84.0
71.05003	2.3
72.01738	2.2
72.26506	2.2
72.99310	52.8
73.02947	15.4
75.00877	42.0
79.51118	2.1
81.03468	8.4
83.01381	9.6
85.02955	9.4
85.59692	2.4
87.00883	46.2
89.02448	6.2
96.99306	10.0
99.00894	51.3
99.04543	4.9
100.98860	2.7
101.02456	11.0
103.00385	8.6
106.09330	1.9
111.00895	30.1
112.98817	17.1
113.02438	5.4
115.00385	100.0
115.04036	3.1
116.00684	2.6
117.01968	15.1
124.98838	11.9
125.02454	41.0
127.00428	12.3
129.01968	14.0
131.03545	2.3
133.01373	2.4
139.88689	2.2
142.99889	24.5
143.03519	6.6
145.01439	27.8
154.99890	16.2
157.01443	2.4
169.01357	2.4
173.00894	7.7
175.02452	11.5
187.02496	5.3
205.03516	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.3
57.03451	6.5
59.01380	92.7
61.32721	2.8
61.98818	5.8
68.99825	9.5
70.30752	9.2
70.31143	5.9
71.01387	95.1
72.99313	49.9
73.02946	13.7
75.00874	41.1
83.01384	19.7
84.99327	4.2
85.02958	10.7
87.00883	45.5
88.98863	3.2
89.02459	12.1
90.60320	2.4
96.99302	10.1
99.00891	66.0
101.02445	10.5
103.00394	10.6
103.61124	2.7
111.00896	26.7
112.29456	2.4
112.98819	89.3
113.99121	3.3
115.00382	100.0
117.01936	20.5
124.98837	18.8
125.02485	12.8
127.00366	10.9
129.01930	22.7
142.99904	25.5
145.01436	33.0
146.83151	2.8
154.99898	12.0
157.01465	3.8
173.00900	11.1
175.02492	7.3
205.03535	12.4
205.08836	3.0
205.15958	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00332	2.3
53.40133	0.7
55.01905	1.5
57.03475	3.1
59.01097	1.1
59.01374	34.4
61.98858	2.7
67.01931	0.8
68.99851	1.5
69.03490	2.8
69.52738	0.7
70.45261	2.3
71.01379	25.5
72.00903	0.9
72.99339	2.8
73.02985	2.1
73.08855	0.7
74.02498	0.8
75.00869	9.8
80.99844	2.3
83.01427	2.1
83.05031	0.9
85.02970	3.8
87.00912	0.7
87.04583	1.1
89.02493	1.0
95.05022	11.6
97.03027	0.9
97.06590	22.8
97.07175	1.2
97.43349	0.7
98.00140	4.7
98.06915	0.8
99.00884	10.7
99.04557	0.9
100.92522	0.7
101.02455	4.7
103.92040	8.5
103.92564	0.6
104.97739	1.0
112.98820	14.0
112.99495	1.0
113.02455	58.2
114.02839	2.6
115.00384	1.0
115.07658	28.8
116.05083	5.2
116.07989	1.9
117.01978	1.5
125.02455	29.1
126.02817	2.2
129.01868	1.0
130.94386	3.1
131.03513	8.4
131.61314	0.7
132.04620	1.8
140.98312	8.4
141.05586	93.0
142.05905	5.8
145.01447	2.3
148.95427	4.3
158.06068	0.8
158.99380	4.0
159.03230	3.5
159.04503	0.9
159.06668	6.7
160.04048	21.3
161.89372	1.1
173.00923	6.3
175.03975	1.5
175.06377	1.4
176.81546	0.9
185.04553	100.0
186.04892	7.5
188.16676	0.8
189.04039	0.9
202.92560	1.0
202.94255	1.3
203.01924	2.3
203.03557	2.7
203.05591	48.0
203.10797	2.7
203.12756	1.4
204.03030	3.2
204.05986	5.3
204.10284	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	203.0827
Annotation	Tryptophan
Peak:m/z	Relative Intensity
53.66912	0.6
59.01374	2.3
67.39514	0.5
69.93317	2.3
69.93726	1.0
72.00909	24.0
72.01317	1.2
74.02476	34.6
88.70921	0.5
97.06685	0.8
103.92036	0.8
116.05075	100.0
117.05417	7.4
128.05133	0.6
130.06625	2.5
142.06644	29.0
143.06978	2.2
157.07712	0.9
159.07961	1.0
159.09290	19.7
160.09645	2.1
161.04842	0.8
186.05621	4.2
203.08266	76.3
204.08569	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	204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92127	0.1
59.01377	4.2
60.01714	1.6
61.01790	0.6
61.59211	0.1
61.98830	100.0
62.98536	0.2
68.54929	0.1
68.99882	0.1
71.01388	0.6
71.62015	0.2
72.99306	0.2
79.95744	0.1
87.00927	0.3
90.72369	0.1
96.96030	0.1
99.00919	0.3
104.56537	0.1
115.00398	0.5
119.52492	0.1
154.33286	0.1
160.03831	0.1
204.00008	1.0
204.02652	0.8
204.06734	0.1
205.05136	0.2
205.16112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0092
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
50.12850	0.3
50.44654	0.2
50.84754	0.2
53.68882	0.3
57.03441	0.3
60.59050	0.3
65.00310	0.3
65.03963	4.4
65.11736	0.2
67.01891	2.6
71.56611	0.5
76.60299	0.3
78.95862	0.3
89.74821	0.3
91.01899	24.5
92.02240	0.9
93.54137	0.3
107.01365	0.4
109.02962	10.1
111.04501	0.3
123.00903	0.6
126.90527	0.3
135.00899	11.8
136.01245	0.7
153.01958	5.7
153.03157	0.4
153.09219	0.8
166.99858	0.6
178.99867	100.0
180.00195	6.8
180.01668	0.2
182.02171	1.1
183.26242	0.2
186.80052	0.3
196.89503	0.5
197.00916	52.7
197.11847	0.8
198.01288	3.4
198.03999	0.3
208.28375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03429	0.4
59.01362	1.4
61.98825	2.1
69.03444	1.6
71.30421	1.0
80.96542	0.4
82.03008	0.4
83.01389	0.5
83.05031	0.7
85.71738	0.5
91.01906	0.5
95.01390	1.2
109.02972	1.3
109.06604	0.6
112.01697	0.6
112.04027	0.7
113.57021	0.4
120.98476	0.4
121.02944	1.3
123.00910	3.1
123.08173	0.7
125.02492	0.8
125.09747	0.5
126.90513	2.8
135.00903	0.8
137.02455	0.4
138.03261	0.8
141.09244	0.6
144.49120	0.5
151.11244	0.6
153.01973	1.5
153.05569	1.5
153.09196	2.1
153.12888	4.0
154.12260	0.7
156.83768	0.4
160.84241	1.7
162.83922	3.6
166.99867	3.7
169.12358	15.2
170.12686	1.1
178.99881	3.3
179.10823	1.6
182.02234	6.9
182.05820	0.6
196.89485	1.8
196.91040	0.4
197.00974	1.8
197.04636	2.4
197.11836	100.0
197.80800	2.5
198.04001	0.6
198.07857	0.6
198.12198	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03467	0.2
58.13811	0.3
67.01884	0.3
67.02655	0.3
69.56708	0.5
69.57111	1.7
71.05000	0.3
73.02942	2.5
85.02974	0.4
112.74040	0.2
121.54298	0.2
135.08191	1.4
137.09737	7.1
138.10056	0.6
155.10791	100.0
156.11124	8.6
196.16238	0.3
199.09761	8.9
199.13434	1.0
199.17110	0.7
200.10103	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81964	0.2
59.01374	100.0
60.01709	1.3
62.45356	0.2
63.23812	0.2
70.36001	0.2
70.78558	0.7
115.02497	0.3
157.03590	4.4
158.03754	0.7
159.01506	3.1
180.57739	0.2
201.02560	17.2
202.02733	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01712	1.6
60.01974	0.3
61.98833	0.3
71.34521	0.5
71.34863	0.4
72.99276	0.3
75.19381	0.2
82.03000	0.2
82.99621	0.4
85.02964	0.4
92.95858	0.2
100.04087	0.4
103.92039	0.3
113.06089	0.6
115.02547	0.6
117.00484	0.3
118.02142	0.3
130.08774	0.5
140.07181	0.3
141.01913	0.3
150.55516	0.3
157.03575	4.2
158.03685	0.3
158.08273	0.4
159.01511	3.1
160.01729	0.4
175.02759	0.5
184.57507	0.3
201.00909	0.7
201.02545	15.0
201.11153	0.3
202.02742	2.4
202.07166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.051
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
56.37821	0.9
57.03450	4.2
59.01377	19.5
61.83406	0.8
64.79205	0.8
70.17436	2.9
70.17857	1.5
71.01380	9.4
72.99310	5.3
75.00874	85.3
76.01206	1.5
78.95911	2.4
83.01378	1.4
85.02967	5.7
87.00882	14.1
89.02450	8.5
96.96011	2.5
96.96980	7.8
99.00886	7.6
101.02453	1.8
105.01943	9.2
111.00891	5.2
129.01952	34.3
130.02251	1.9
141.01958	3.7
147.03004	4.3
149.04550	1.1
150.34839	0.9
159.03004	10.0
177.04066	11.0
178.04359	1.0
195.05103	100.0
196.05440	4.9
208.99252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0511
Annotation	Gluconic acid
Peak:m/z	Relative Intensity
55.01871	0.5
57.03445	3.7
58.00587	0.7
59.01376	23.1
60.01716	0.4
68.99830	0.5
71.01382	10.0
72.99313	6.9
73.02954	0.7
75.00876	100.0
76.01220	1.7
83.01391	1.4
84.02177	1.0
85.02956	7.5
86.03285	0.5
87.00882	8.1
87.04503	0.5
89.02451	7.5
97.02956	0.5
99.00895	6.3
101.02449	2.3
111.00890	4.4
113.02457	0.6
117.01957	0.4
119.03547	0.3
119.10657	0.3
119.99766	0.3
123.04565	0.5
129.01958	29.9
130.02272	1.8
136.01672	1.3
136.05327	0.3
139.75990	0.4
141.01956	4.6
149.04567	0.4
150.03252	0.9
151.02298	0.5
151.03975	0.7
159.03011	16.1
160.03381	0.7
165.01927	1.1
165.05573	1.3
177.04068	3.0
180.04263	0.8
195.05107	86.3
196.05443	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	195.0662
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
57.03442	0.5
59.01376	4.4
60.55871	0.2
61.98826	0.4
64.92015	0.2
66.03475	0.3
71.01375	0.8
71.11256	0.5
71.11606	0.3
72.99315	0.5
75.00877	6.5
85.02944	0.7
87.00885	0.8
89.02451	0.6
92.65535	0.2
99.00869	0.4
103.71646	0.2
107.05051	0.6
108.02205	1.4
109.03020	0.3
111.00900	0.4
112.04243	0.2
121.65896	0.2
122.03747	6.9
123.04597	2.1
129.01955	2.0
135.06712	0.5
136.05284	0.3
137.02451	0.7
145.35213	0.2
150.03239	100.0
151.03549	6.6
151.07649	0.6
159.03003	0.9
165.01953	1.5
165.05582	56.9
166.05917	4.6
177.01985	0.4
180.04295	18.1
181.04642	1.8
195.05063	5.0
195.06645	18.5
196.07085	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	191.0562
Annotation	Quinic acid
Peak:m/z	Relative Intensity
54.60385	0.1
57.03432	0.6
59.01095	0.2
59.01376	3.9
59.83656	0.2
60.01724	0.2
67.01889	0.9
69.03458	0.5
71.01389	1.8
73.02960	1.0
81.03471	0.8
81.96259	0.2
83.01341	0.2
83.05019	0.8
85.02955	19.3
86.03282	0.5
87.00880	5.6
93.03461	6.2
94.03806	0.4
95.01400	0.4
96.02077	0.1
99.00863	0.2
99.04530	0.7
108.02227	0.2
109.02956	1.8
111.00889	4.3
111.04518	1.9
113.02441	0.3
115.03993	0.2
127.04018	3.9
129.01958	0.3
129.05493	0.2
137.02533	0.2
143.03508	0.2
155.03529	0.3
171.02974	1.0
173.00983	0.2
173.04590	1.8
176.01112	0.3
191.05617	100.0
192.05954	5.5
197.40179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
50.59471	0.1
57.03441	0.6
59.01095	0.2
59.01378	3.8
59.82694	0.2
60.30308	0.2
60.99300	0.3
67.01894	0.8
69.03449	0.4
70.03705	0.6
70.04109	0.3
71.01387	1.7
73.02940	0.9
74.65511	0.1
81.03470	0.7
83.05046	1.0
85.02956	20.5
86.03311	0.7
87.00882	5.4
93.03466	6.0
94.03818	0.3
94.64616	0.1
95.01382	0.2
97.02985	0.2
98.19944	0.2
99.00854	0.2
99.04561	0.7
101.02452	0.1
109.02961	1.4
111.00899	3.1
111.04515	1.6
113.02458	0.1
118.28851	0.1
127.04023	3.8
128.04362	0.2
137.02448	0.2
148.87442	0.2
155.03430	0.2
171.02985	0.9
173.04553	1.8
176.01140	0.4
191.05618	100.0
192.05957	5.5
214.06458	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	191.0562
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03444	0.6
58.00586	0.2
59.01376	3.5
63.16345	0.1
67.01897	0.7
69.03450	0.5
69.03799	0.1
69.55582	0.3
69.55991	0.7
70.53445	0.1
71.01382	1.7
72.99321	0.2
73.02934	0.7
81.03454	0.7
83.01370	0.2
83.05032	1.1
85.02955	20.1
86.03297	0.6
87.00344	0.2
87.00880	5.5
93.03468	6.5
94.03792	0.3
95.01392	0.1
97.02985	0.2
98.20631	0.2
99.00911	0.2
99.04520	0.8
101.02449	0.2
109.02971	1.5
110.05357	0.1
111.00894	3.0
111.04530	2.2
112.04919	0.1
113.02456	0.3
125.02470	0.2
127.04021	3.8
128.04353	0.3
129.01930	0.4
129.05589	0.2
137.02444	0.2
153.02017	0.2
155.03525	0.2
171.03044	0.9
173.04564	2.1
176.01256	0.2
191.05617	100.0
192.05963	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	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03446	7.5
59.01366	2.2
63.34461	0.3
67.01894	3.3
70.60699	1.2
70.61037	0.4
71.01384	1.1
71.19060	0.3
72.99308	0.5
73.02950	1.0
85.02956	32.6
86.03292	0.5
87.00880	49.8
88.01229	1.1
93.03474	2.3
99.00891	0.4
101.02448	1.1
103.04009	0.4
109.02980	0.5
111.00891	100.0
112.01227	3.6
112.98789	0.4
117.01965	0.5
124.17938	0.4
127.04021	1.3
129.01947	5.4
130.99901	1.0
147.03026	0.7
154.99884	1.1
157.63501	0.4
171.03065	0.7
173.00912	2.0
173.04622	0.4
191.02003	11.7
191.05626	24.4
192.02322	0.4
192.05992	1.2
201.94640	0.3
204.30786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52942	0.5
57.03445	6.4
58.38437	0.5
59.01369	2.1
67.01885	3.4
70.07169	2.4
71.01380	1.6
72.99301	1.0
73.02954	0.8
85.02956	33.1
86.03278	0.8
87.00881	50.8
88.01214	1.3
90.43909	0.5
93.03458	1.3
99.00892	0.8
101.02459	1.5
111.00892	100.0
112.01237	3.7
117.01946	0.6
119.43613	0.5
129.01941	5.6
130.99940	0.6
141.05765	0.5
147.03044	0.7
150.93303	0.5
154.99940	1.2
157.61656	0.5
173.00934	3.0
173.04581	1.0
191.01974	12.6
191.05605	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	191.0562
Annotation	2D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone
Peak:m/z	Relative Intensity
51.06879	0.3
52.69481	0.3
55.01882	0.6
57.03448	6.2
59.01368	3.7
59.67252	0.4
63.95710	0.4
67.01895	3.1
69.03448	0.6
70.74622	1.3
71.01386	3.0
72.99311	1.3
73.02950	1.6
81.03474	0.9
83.01382	0.5
83.05016	0.5
85.02956	48.6
86.03314	1.1
87.00881	44.0
88.01194	1.1
92.96003	2.0
93.03466	6.0
99.00884	1.3
99.04532	1.0
100.33769	0.5
101.02455	1.0
109.02968	2.3
111.00890	84.6
111.04539	2.3
112.01227	3.4
117.01955	1.2
127.04024	4.3
129.01962	5.2
130.99863	0.8
147.03061	0.5
148.95006	3.7
154.99835	1.0
155.03516	0.5
171.03024	0.9
173.00906	2.1
173.04536	2.2
191.02028	12.0
191.05617	100.0
192.02296	0.7
192.05963	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	184.9858
Annotation	D-Glycerate 3-phosphate
Peak:m/z	Relative Intensity
62.45993	0.6
63.66833	0.5
64.59443	0.6
69.03458	2.8
71.60484	1.2
76.32500	0.5
78.95908	93.2
81.95329	0.6
87.00902	0.6
87.02384	0.6
96.96971	100.0
97.03156	0.6
106.03333	0.6
110.98534	8.4
142.05106	2.6
152.99573	0.6
166.97583	1.7
184.98560	10.3
185.02202	1.8
186.04039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36797	0.5
57.03448	0.9
59.01377	75.0
60.01719	1.2
61.98830	2.8
65.12328	0.6
71.01377	1.2
71.54900	0.8
74.99344	0.5
83.05044	0.7
97.06600	1.8
99.00922	0.8
114.98830	0.9
115.02538	3.5
117.00459	9.8
118.00552	0.6
118.03027	0.6
122.89393	0.8
123.08177	0.8
125.09747	11.8
126.10130	0.8
134.34082	0.5
141.86848	2.6
142.89403	1.0
143.01987	0.9
143.07147	0.6
144.99947	1.6
159.01509	100.0
159.87912	1.3
160.01619	11.9
160.04028	0.9
168.88948	0.9
187.00986	13.8
187.04057	2.0
187.06160	0.9
187.07695	1.7
187.09747	8.0
187.13411	1.9
188.00990	2.3
188.03415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	(Z)-But-1-ene-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
52.79554	0.8
52.86002	0.8
55.01869	2.3
57.41008	0.8
57.60093	0.8
57.79852	0.9
58.02967	1.0
59.01374	2.1
67.01891	3.3
68.99825	1.9
71.01393	3.9
71.05028	1.9
71.61981	1.6
72.04514	1.0
72.99304	2.0
73.02933	1.2
74.77829	0.8
79.63885	0.7
81.03475	5.4
83.01393	2.7
88.04040	2.3
98.02487	8.4
99.00886	9.9
99.04529	44.2
100.04041	2.0
100.04823	2.1
102.05613	3.1
111.00907	5.1
114.05618	2.7
115.04041	7.2
116.03552	8.9
116.07164	6.7
125.02465	100.0
125.06051	1.3
125.09797	1.8
126.02804	4.4
127.00380	3.7
128.03568	2.2
134.89124	0.9
136.98665	0.9
142.05116	4.2
143.03539	14.9
143.04597	2.0
144.03030	10.0
144.06683	2.6
146.08241	1.0
169.01448	1.4
170.04634	1.2
187.02414	15.3
187.06071	1.9
187.09723	1.1
188.05664	1.9
188.09277	1.5
206.63087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
57.03429	3.1
58.00588	3.3
59.01377	69.5
69.03445	2.4
70.49220	2.8
71.01383	84.2
72.01717	1.8
72.99314	3.2
73.02949	29.7
74.03247	0.9
83.00961	0.7
83.01384	4.7
85.02952	12.6
87.00875	2.7
87.04514	1.0
89.02450	60.1
90.02801	1.6
91.04043	1.3
97.02961	5.3
98.19973	0.9
99.00870	1.1
101.02451	67.0
102.02790	2.0
103.04013	1.3
113.02448	8.3
115.04014	4.3
119.03526	8.0
121.05086	1.1
131.03511	3.3
143.03497	0.8
149.04619	2.2
161.04634	1.1
163.06119	7.3
181.07187	100.0
182.07515	6.1
189.71381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0616
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
51.18531	0.7
51.87215	0.7
51.97147	0.7
59.01376	61.5
60.01706	1.0
64.69720	0.7
68.99812	1.6
69.03454	2.2
69.69833	0.7
70.02961	2.4
70.28854	1.8
70.29252	1.5
71.01384	14.2
71.04993	1.2
73.02956	1.1
78.95906	14.2
80.05039	1.0
83.05029	1.0
84.04552	9.4
85.02969	1.3
88.98643	0.8
90.02806	0.8
94.02991	4.7
95.05025	2.1
96.00922	1.4
96.78075	0.7
96.96971	16.2
97.01170	0.9
97.01707	4.1
97.02926	2.0
97.06609	3.9
97.70916	0.8
98.02473	1.4
98.06125	1.5
98.19943	1.0
99.00872	1.0
110.02466	4.0
111.00925	0.9
112.04057	100.0
112.07720	0.9
113.02464	2.8
113.04375	3.9
113.06120	2.0
115.04012	0.9
122.02448	1.3
122.06139	7.3
123.08180	2.3
124.04057	75.2
125.02458	1.6
125.04414	3.9
131.64120	0.9
140.07184	38.5
141.02007	1.0
141.05579	2.4
141.07536	2.0
141.09216	4.7
154.02295	1.1
166.05127	6.1
167.03458	1.9
169.01141	0.8
169.04732	1.2
184.06149	89.6
184.98618	2.1
185.02357	1.1
185.04555	2.2
185.06473	7.2
185.08214	3.4
185.11856	7.3
185.15480	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	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
61.98830	0.5
70.44030	0.3
70.44457	0.4
71.01392	0.4
75.59940	0.1
79.95773	0.2
87.00879	0.3
89.02427	0.2
117.47724	0.2
119.93743	0.7
120.93853	0.2
134.95044	0.4
134.96101	13.7
135.96182	1.8
136.94023	100.0
137.94095	10.2
141.03650	0.2
151.92731	10.5
152.92773	1.0
154.95073	0.6
173.42624	0.2
178.95071	58.1
179.95180	7.6
196.96100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
56.14256	0.8
56.28246	0.8
57.03448	2.8
58.00588	2.9
59.01376	59.0
69.03458	1.3
69.46223	7.8
69.46571	1.2
71.01382	78.2
72.01725	1.7
72.54652	0.9
72.99317	2.5
73.02945	23.8
75.00874	1.0
83.01385	6.9
85.02954	10.2
85.96272	0.8
87.00892	2.1
89.02451	45.9
91.04012	1.2
97.02963	3.9
100.95792	1.0
101.02449	52.8
102.02778	2.4
103.04025	1.6
105.79572	0.9
113.02470	6.6
115.04041	4.0
119.03518	8.2
121.05059	1.1
131.03502	2.7
147.43777	0.8
149.04639	1.8
152.79321	0.8
163.06119	8.3
167.43346	0.8
178.22000	1.0
181.07182	100.0
182.07509	5.5
182.08910	0.8
197.62445	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0719
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
55.01870	3.2
57.03438	3.1
58.00585	3.1
58.30321	0.8
59.01376	74.7
60.01704	1.5
61.45639	0.8
68.85350	0.8
69.03444	2.4
69.86582	4.5
71.01382	87.3
72.01710	2.4
72.99304	2.6
73.02949	27.4
83.01388	5.5
85.02959	10.7
87.00899	1.8
89.02448	54.7
90.02805	1.9
91.04047	1.9
95.01421	1.2
97.02949	4.5
101.02451	59.8
102.02763	2.0
103.04034	1.3
113.02460	9.1
115.04012	3.7
119.03503	9.8
121.07079	0.7
131.03502	3.8
143.03510	1.4
149.04565	2.3
161.04601	1.1
163.06140	7.5
164.29121	0.8
179.05734	0.9
181.07191	100.0
182.07474	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	173.0093
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00302	3.6
55.01868	6.8
57.03431	3.6
59.01379	9.0
60.73450	1.4
67.01881	6.7
68.99808	4.0
70.02731	6.4
71.01383	100.0
72.01729	2.2
72.99302	11.2
73.02949	9.5
80.99779	1.4
83.01383	9.3
83.05029	2.1
85.02945	12.6
87.00858	5.4
93.03489	7.8
94.45100	1.7
96.08740	1.6
96.99341	3.9
99.00882	42.8
101.02419	2.8
111.00887	11.0
111.04495	3.6
112.98819	70.3
113.99149	2.4
115.00374	6.3
124.98821	25.1
127.71105	1.4
128.07156	2.1
129.01971	1.8
137.02446	2.0
140.98303	2.2
142.99872	81.8
144.00206	4.1
173.00931	18.8
173.04604	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	175.025
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
57.03441	5.5
59.01384	49.7
61.21127	3.2
68.99816	5.6
71.01375	33.8
71.01939	8.8
71.04996	4.0
72.99327	7.3
73.02951	6.5
75.00864	9.3
75.97168	3.6
85.02954	13.9
85.06594	23.7
87.00887	22.8
93.03465	5.4
99.00885	4.5
100.98816	100.0
101.02467	6.5
113.06087	21.1
115.00394	28.4
115.04015	41.1
124.98850	8.5
127.97540	69.5
127.98409	7.3
128.97881	3.9
129.01953	5.3
130.99893	5.6
131.03494	7.2
131.07167	5.1
135.04538	12.2
142.99887	14.3
148.98628	16.3
157.05087	7.8
174.82794	4.8
174.89015	4.8
174.96535	3.9
175.02530	9.1
175.03922	5.2
175.06123	31.1
179.03528	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	175.0614
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03447	1.1
59.01376	4.6
69.89298	3.0
69.89597	0.9
71.01405	0.9
71.05032	1.0
77.11932	0.5
78.91061	0.6
81.93866	0.4
85.02938	0.7
85.06598	41.3
86.06937	1.8
87.04529	1.7
113.06100	39.0
114.06445	1.8
115.04026	100.0
116.04356	4.7
129.05597	1.7
131.07146	8.2
157.05077	9.9
175.06129	68.2
176.06453	4.3
179.03648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0981
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03449	1.0
57.60727	0.2
58.02973	1.5
59.01381	2.0
60.99301	0.4
67.01893	5.3
69.03461	1.5
70.44967	0.8
71.01382	3.4
71.05041	0.3
72.99303	0.3
73.02944	0.9
81.03471	0.9
82.06638	0.5
83.05034	1.1
85.02969	0.9
87.00894	0.3
90.56586	0.2
92.12390	0.2
93.03467	25.1
95.01450	0.3
99.00887	0.7
99.04545	0.5
101.02428	0.2
109.02977	1.3
111.00896	0.9
111.04535	3.8
111.08177	0.4
112.98792	0.5
113.02438	0.3
128.10834	2.6
129.01868	0.2
130.08757	100.0
131.07137	0.3
131.09108	4.7
137.02457	1.0
144.04564	0.8
155.03505	0.9
172.04042	0.3
172.07629	0.3
172.09816	16.4
173.04573	33.1
173.10165	1.3
173.45889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
50.12750	0.9
53.00293	3.4
55.01876	6.7
57.03458	5.4
58.74437	1.0
59.01382	8.8
67.01892	4.4
68.99805	2.8
69.94994	3.1
69.95396	3.1
71.01383	100.0
72.01711	1.7
72.99286	6.0
73.02945	8.5
83.01398	10.9
83.05025	3.2
85.02963	11.5
85.06594	13.0
87.00885	11.1
93.03464	8.4
96.99315	4.4
99.00888	37.0
99.04530	1.7
100.01175	1.1
101.02431	2.5
108.04169	1.0
111.00892	29.4
111.04529	12.1
112.01190	1.7
112.98048	2.2
112.98818	37.2
113.02448	1.4
115.00380	5.6
124.98830	24.8
126.95792	1.1
128.07231	1.2
129.01942	4.5
129.05586	7.4
137.02473	1.2
140.98390	1.3
142.99881	60.3
144.00209	2.6
154.99841	2.7
155.03511	3.9
166.90984	1.1
173.00938	14.5
173.04587	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	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	100.0
59.02677	0.5
59.03316	1.8
61.31505	0.3
68.99811	0.7
69.03461	0.9
70.02991	0.7
71.01399	0.3
81.03460	0.5
82.02984	0.5
85.02959	0.4
97.02952	0.8
104.61991	0.3
108.04586	0.4
110.75705	0.3
122.89423	1.2
125.02453	15.8
125.06107	0.4
125.09725	0.8
132.86841	0.4
149.43465	0.3
151.00446	0.4
166.91124	0.3
168.13925	10.7
168.83582	0.6
169.01421	7.5
169.05121	0.5
169.12291	0.4
169.14244	0.9
176.31841	0.3
181.76872	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.9814
Annotation	(R)-2-O-Sulfolactate
Peak:m/z	Relative Intensity
53.27970	1.4
59.01367	5.9
61.31851	1.3
70.13415	4.6
71.01382	100.0
72.01740	1.7
74.99397	1.9
78.95903	4.1
80.96520	29.1
87.00874	3.3
87.35346	1.3
96.96035	2.5
96.96975	6.2
98.20560	1.4
105.59422	1.3
106.98098	1.7
107.78062	1.4
125.00964	37.1
126.01054	2.7
126.98896	90.2
127.98971	8.5
141.97607	14.5
142.97807	1.4
150.97092	76.3
151.97386	2.1
168.83592	2.3
168.98138	83.2
168.99922	40.4
169.01256	2.2
169.98444	2.4
170.00111	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	166.9988
Annotation	2-Oxo-3-(5-oxofuran-2-ylidene)propanoate
Peak:m/z	Relative Intensity
51.02374	1.0
60.93153	0.3
67.01903	1.7
68.99818	2.2
69.03444	0.7
71.60017	0.4
71.60360	0.4
78.95906	1.7
79.01910	0.6
81.03450	0.6
82.02998	0.3
91.01866	0.4
95.01395	100.0
95.05022	0.7
96.01729	4.4
96.04533	0.5
97.02940	0.9
99.04496	0.7
102.54125	0.4
108.02187	2.6
120.70718	0.4
123.00898	72.2
123.04505	3.1
124.01232	2.0
124.01698	2.8
125.02493	0.6
129.15501	0.3
139.04033	0.7
139.07678	1.0
149.06175	0.4
149.99568	3.2
150.00600	0.5
152.01163	8.3
152.21646	0.3
153.01656	0.7
166.99870	17.0
167.03497	4.1
167.07169	1.0
168.00629	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	165.0407
Annotation	D-Ribonate
Peak:m/z	Relative Intensity
50.15267	0.2
57.03436	0.4
59.01377	7.2
66.61983	0.2
68.99798	0.3
70.21849	1.0
71.01384	6.0
72.99315	4.1
73.02946	3.2
75.00877	11.0
85.02963	0.6
87.00882	100.0
88.01220	2.9
89.02452	2.5
96.14407	0.2
99.00890	11.6
100.01239	0.3
101.02451	3.6
102.02787	0.3
103.00359	0.3
105.01945	83.0
106.02275	2.3
117.01948	3.1
119.03507	1.0
129.01959	0.6
135.03008	2.5
147.03017	9.1
148.03343	0.3
165.04056	61.0
166.04388	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	164.0718
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
59.01368	1.8
64.50091	0.6
65.63766	0.5
71.01371	1.5
71.22361	0.5
71.22668	0.8
72.00909	35.6
72.99309	1.5
73.02959	0.5
75.00873	1.8
77.03963	1.1
78.95907	1.0
85.02953	1.1
87.00349	0.8
87.00881	15.3
87.36302	0.4
88.27982	0.4
89.02444	0.9
91.05526	1.6
93.03469	1.4
97.33817	0.5
99.00890	2.0
101.02458	1.1
103.05537	1.0
105.01942	12.8
118.06641	0.8
119.05033	2.9
120.04605	0.9
120.05375	3.4
121.02973	10.5
129.02042	0.5
129.29584	0.5
130.41167	0.5
135.04550	0.8
136.61978	0.4
137.02487	1.6
147.04535	100.0
148.04880	7.7
149.02460	0.9
150.03233	3.9
164.07184	54.6
164.89557	0.6
165.01985	2.5
165.04077	11.5
165.05556	1.8
165.07550	5.2
165.09161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0821
Annotation	beta-Cymaropyranose
Peak:m/z	Relative Intensity
52.19725	0.8
55.01870	2.2
57.03447	9.8
58.00575	1.3
59.01378	33.1
60.01718	1.0
69.03446	2.8
71.01383	55.0
71.05022	25.5
71.05416	1.8
71.56652	1.4
72.01729	1.3
72.99321	5.5
73.02944	23.0
75.00872	2.5
75.35334	0.8
81.03458	5.2
83.01391	10.5
84.02181	1.4
85.02955	51.5
86.03290	1.7
87.00880	5.8
87.04523	12.0
87.28152	0.9
89.02456	9.7
95.01391	5.3
97.02950	3.3
99.00903	2.0
99.04525	74.0
100.04866	2.4
101.02451	10.3
101.06089	1.0
113.02464	11.7
115.04025	40.4
115.07647	7.5
115.92077	1.4
116.04363	1.3
117.03451	2.4
117.05593	35.9
118.02975	0.9
118.05924	1.8
125.02446	1.0
131.03523	20.9
133.02959	3.3
143.03508	1.8
160.89287	1.5
161.02493	8.9
161.04613	20.4
161.06015	3.6
161.08202	100.0
162.01947	3.6
162.03160	1.8
162.08524	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	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.43165	0.3
53.74264	0.3
54.44329	0.2
57.45285	0.3
59.01379	2.2
62.14371	0.3
68.23053	0.3
68.76637	0.3
70.29744	1.1
71.01399	1.8
72.99289	0.3
73.02959	0.4
84.83296	0.3
85.02950	1.8
87.00912	0.4
89.02464	0.3
89.66349	0.3
91.01901	0.5
91.05544	13.7
92.05884	1.0
93.03474	1.1
95.01391	0.6
96.22836	0.3
101.02436	2.0
111.38821	0.3
119.05043	100.0
120.04538	0.5
120.05376	7.1
125.02464	0.3
135.00900	0.4
135.04561	2.2
143.03539	0.9
145.05069	0.4
147.04539	0.4
149.21948	0.3
162.89343	0.4
163.00404	2.4
163.04025	9.4
163.06136	2.8
163.07567	0.6
164.04442	0.4
164.07248	0.3
171.41899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0824
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01879	0.7
57.03443	1.2
58.02967	2.0
59.01368	0.8
65.63883	0.3
69.03493	0.3
69.76470	0.9
69.76898	1.0
71.01378	1.8
71.05032	0.5
72.48754	0.3
73.02953	0.7
83.01385	1.4
85.02969	1.8
86.06131	0.4
87.00896	0.7
89.14005	0.3
97.02972	1.5
97.06617	0.5
99.00913	0.6
101.02442	0.7
111.00854	0.3
112.04053	0.6
114.05593	0.3
114.09262	6.6
115.04005	1.2
115.07742	0.3
115.09586	0.3
116.07188	100.0
117.07527	4.3
119.53762	0.3
129.01955	0.8
141.01974	1.5
147.45351	0.3
150.55026	0.3
156.06630	0.4
158.04613	0.4
158.08240	19.3
158.89355	2.1
159.03050	1.5
159.08565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0457
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
53.95092	1.0
54.57990	1.1
55.01866	2.4
57.03445	60.3
58.00601	1.4
59.01374	45.7
65.79579	1.1
69.03460	3.4
70.97694	1.2
71.01384	45.6
71.05021	42.1
72.01733	1.2
72.99307	4.6
73.02551	1.5
73.02946	23.7
81.03447	7.1
83.01393	9.8
84.02156	1.3
85.02956	44.3
87.00880	50.6
87.04518	17.9
88.04055	3.0
89.02451	8.5
89.04401	3.5
90.06930	1.3
95.01402	4.8
97.02963	2.1
98.20586	2.3
98.99104	2.0
99.00890	3.3
99.04527	100.0
100.04878	3.7
101.02451	85.1
102.02785	2.6
107.33405	1.2
113.02463	9.5
115.04024	10.6
117.05592	12.6
125.02463	2.3
131.03531	14.3
143.03523	31.7
144.03845	1.8
161.02444	3.1
161.04575	78.5
162.04932	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	161.0458
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.03923	0.6
57.03455	2.9
59.01372	7.1
66.10236	0.5
67.03456	0.6
70.55604	2.0
71.01385	4.3
71.05023	34.1
72.05368	1.6
73.02952	2.9
83.01414	0.8
85.02956	3.1
87.00886	8.3
87.04504	1.1
89.02464	0.9
98.19926	0.6
99.04529	44.5
100.04869	2.2
101.02453	100.0
102.02772	3.7
113.02435	1.0
115.04051	3.4
117.05590	9.0
124.28732	0.6
131.03508	1.9
132.54105	0.6
133.03003	0.7
143.03526	11.9
143.65971	0.7
144.03899	0.7
161.04572	48.5
162.04961	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	149.0456
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
50.75197	0.8
55.01870	1.4
56.40243	1.1
57.03429	1.6
58.00589	1.8
59.01376	31.3
59.34093	1.0
60.01699	1.2
69.03453	3.9
69.83601	2.6
69.84026	4.0
71.01380	33.3
71.81189	1.2
72.99310	3.6
73.02953	21.5
75.00886	1.9
83.01374	2.2
85.02962	7.7
87.00875	9.1
89.02448	100.0
90.02785	2.5
98.20551	2.1
101.02452	4.9
103.04031	7.0
129.01855	1.1
130.53001	1.2
131.03513	22.8
143.16119	1.1
149.04565	69.6
150.04938	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	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
59.01366	0.4
65.00323	0.4
65.03957	0.3
66.03497	1.4
68.80420	0.2
68.99804	0.3
69.03457	0.4
69.36266	2.3
71.01375	0.2
72.99355	0.2
77.62052	0.2
80.01340	0.2
81.03454	1.6
83.01376	0.6
83.22962	0.2
84.19927	0.2
88.50975	0.2
89.02399	0.3
91.01859	0.3
93.03436	0.2
95.01367	0.4
97.02940	0.3
99.33659	0.2
108.02178	2.3
108.04571	1.1
109.02959	29.8
109.06621	0.5
110.00100	1.6
111.29909	0.3
113.53232	0.2
121.02948	0.9
122.03748	32.0
123.00880	0.7
123.04121	1.6
124.04029	0.3
124.04879	0.5
125.02458	1.3
125.06092	0.2
137.01999	1.0
137.99617	2.0
143.48033	0.2
151.00340	0.6
152.03540	100.0
153.01962	10.6
153.03877	6.6
153.05574	0.7
153.12856	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0558
Annotation	3,4-Dihydroxyphenyl ethanol
Peak:m/z	Relative Intensity
60.90146	0.2
65.00315	0.2
65.03963	0.2
66.03496	0.5
67.01881	0.4
68.99812	0.2
69.03453	0.2
70.71055	0.4
70.71424	0.4
73.14983	0.2
81.03461	1.3
82.02979	0.2
83.01399	0.6
93.03454	0.5
95.01426	0.4
95.05025	1.9
96.05397	0.2
98.02483	0.2
107.05042	0.3
108.02205	1.4
109.02962	11.6
109.06582	0.4
110.00105	2.2
110.02578	0.3
110.03310	0.8
112.04046	0.2
115.84985	0.2
121.02984	0.4
122.03750	1.8
123.04536	100.0
124.01687	0.2
124.04034	1.6
124.04873	6.2
125.02486	1.1
135.04541	0.3
136.04060	0.4
137.99615	1.8
138.03200	0.2
151.00398	0.6
153.01962	5.5
153.05586	18.8
153.12808	0.3
153.86951	0.2
154.01338	0.3
154.02435	0.4
154.05061	0.9
154.05969	1.1
165.28088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
50.75197	0.8
55.01870	1.4
56.40243	1.1
57.03429	1.6
58.00589	1.8
59.01376	31.3
59.34093	1.0
60.01699	1.2
69.03453	3.9
69.83601	2.6
69.84026	4.0
71.01380	33.3
71.81189	1.2
72.99310	3.6
73.02953	21.5
75.00886	1.9
83.01374	2.2
85.02962	7.7
87.00875	9.1
89.02448	100.0
90.02785	2.5
98.20551	2.1
101.02452	4.9
103.04031	7.0
129.01855	1.1
130.53001	1.2
131.03513	22.8
143.16119	1.1
149.04565	69.6
150.04938	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	147.0302
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.01388	3.4
57.03441	21.7
59.01378	28.0
69.54884	29.2
71.01381	63.3
71.05016	27.1
72.99309	23.0
73.06595	6.5
75.00877	3.5
76.58479	3.7
83.05021	5.8
85.02956	55.3
86.13158	3.2
87.00880	100.0
98.19887	4.9
99.00876	7.5
99.04524	5.2
101.02438	11.3
101.06093	66.4
103.04016	12.5
107.03355	3.6
115.46436	3.2
129.01958	37.6
147.03011	38.5
147.06651	61.7
147.07799	4.7
148.06979	4.8
159.10704	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	148.0771
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
54.10547	1.5
59.01370	4.3
69.69785	9.3
71.01389	8.0
71.49831	1.8
72.01709	2.9
73.02940	2.6
81.27298	2.0
87.00909	1.9
89.02453	13.9
93.03477	4.3
95.01378	1.9
95.05043	2.7
98.19876	1.8
100.01167	1.5
102.03519	4.3
103.03941	1.8
104.05086	7.4
105.03524	1.6
106.06662	1.9
121.02974	20.9
130.06596	2.6
132.04576	6.0
134.03773	12.4
148.04100	3.3
148.07709	100.0
149.00716	2.9
149.02512	16.0
149.04568	7.2
149.06143	8.7
149.08061	9.2
160.86172	1.4
164.03645	2.1
168.41193	1.6
168.49609	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	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	14.9
55.61206	2.4
57.03460	3.0
59.01379	8.3
66.14995	2.6
68.99826	4.4
69.03457	2.7
70.86018	6.2
71.01385	43.2
80.99847	3.3
84.14188	2.3
85.02929	6.8
87.00891	9.7
95.20206	2.4
96.99339	18.5
112.98833	17.7
115.00391	3.8
124.98826	51.6
140.98312	9.9
142.99873	100.0
143.10803	3.2
144.00204	5.6
144.04565	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	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
59.01374	0.7
61.30625	0.4
70.06418	1.5
70.06831	0.8
71.01382	1.2
73.02956	0.5
83.05009	0.7
87.00855	0.6
92.11632	0.4
99.00868	0.4
99.04549	0.4
101.06078	1.0
102.05635	0.8
115.00388	0.8
116.05088	0.5
144.04558	100.0
144.96526	1.9
145.03105	0.8
145.04938	9.0
162.74663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0144
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
50.37827	3.8
52.73089	3.6
55.01880	6.4
57.03454	25.0
59.01372	12.9
63.26121	4.4
69.88419	20.5
71.01388	21.6
72.31161	4.2
72.99325	7.9
73.02943	20.1
83.01387	15.6
84.01707	4.4
87.00882	15.0
98.20576	6.1
101.02449	95.9
102.05620	100.0
115.00368	19.2
127.00341	13.0
128.03543	45.3
145.01443	23.4
145.04924	7.2
146.04575	25.0
152.87544	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	145.0144
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
54.76346	4.2
55.01864	4.3
57.03442	20.6
58.00055	3.8
59.01367	15.2
70.12383	16.2
71.01382	32.3
72.99313	7.4
73.02954	18.0
82.49979	4.6
83.01383	13.0
87.00887	12.8
99.00842	6.4
101.02464	87.1
102.05614	100.0
115.00387	25.9
127.00388	13.8
128.03532	47.0
141.22713	4.1
145.01463	22.8
145.04900	6.8
146.04616	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	146.0461
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
57.03440	2.4
59.01375	7.5
65.68652	1.0
68.40112	0.9
70.23026	1.6
70.23452	3.1
71.01390	8.5
72.99297	1.3
74.02477	2.4
75.00858	1.9
84.04547	1.1
85.02953	2.5
85.57170	0.8
87.00887	1.1
89.02437	1.1
92.96003	1.0
99.00905	4.0
101.02467	1.3
102.05621	100.0
103.05949	3.2
108.35886	0.9
128.03561	41.0
129.01956	1.4
129.03877	2.5
146.04619	20.6
147.03040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0304
Annotation	Threonate
Peak:m/z	Relative Intensity
55.01871	0.4
58.00599	0.4
59.01379	10.8
70.27225	1.4
71.01382	4.8
71.42268	0.3
72.99310	16.9
73.02939	0.5
75.00874	100.0
76.01200	2.0
87.00867	1.1
89.02451	9.9
107.05027	0.3
117.01979	2.6
117.02689	0.5
135.03009	34.1
135.04623	1.3
136.03333	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.75903	0.5
55.01864	0.6
67.01887	1.5
68.99809	0.5
69.43320	1.6
69.43744	2.9
83.01388	1.1
86.46362	0.5
93.03454	0.6
94.02995	0.5
94.03796	1.2
95.05074	0.6
98.19814	1.0
108.02185	47.2
109.02483	3.0
111.00883	5.0
120.54800	0.5
123.03277	0.7
124.01581	0.5
138.01982	100.0
139.00403	2.8
139.02325	5.4
139.03993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.02
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01871	0.2
67.01880	0.5
69.27865	1.2
69.28291	1.3
83.01384	0.4
93.03475	0.5
94.03812	1.8
95.01377	0.3
101.30331	0.2
108.02184	47.1
109.02511	3.2
111.00910	1.3
111.01578	0.2
132.13957	0.3
133.91713	0.3
136.00478	0.4
138.01987	100.0
139.00417	0.7
139.02345	6.5
139.03975	0.3
144.61755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00309	11.3
59.01379	6.1
68.99827	3.3
69.80840	7.4
71.01382	36.9
72.99307	2.6
80.99812	4.3
83.01403	2.2
85.02959	4.0
87.00888	8.3
96.99322	18.2
98.20535	2.6
99.00927	1.8
99.04535	2.3
101.04437	1.6
102.05605	4.7
111.00894	4.1
112.98818	20.5
113.02440	1.8
115.00385	5.2
124.98820	49.3
125.99162	3.4
131.81683	1.4
140.98294	8.7
142.99878	100.0
143.03514	2.7
144.00230	5.2
144.04587	9.4
144.06729	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.056
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
55.01871	4.0
57.03444	10.5
59.01377	3.3
59.70316	1.3
64.03951	1.4
67.01904	4.4
67.51294	1.3
68.99828	3.0
70.98174	3.7
70.98507	2.8
71.01392	4.5
71.88263	1.4
72.71722	1.3
72.99319	1.8
73.02966	4.4
82.92564	1.4
83.05023	11.8
85.02965	15.2
85.06597	100.0
85.17248	1.5
86.06157	1.6
86.06956	4.6
87.00891	2.5
88.04085	2.6
101.02515	3.8
104.04336	1.6
111.00917	2.9
111.04540	27.4
117.23535	1.5
121.78070	1.6
124.44116	1.8
128.90195	11.2
129.01961	9.7
129.05591	47.0
130.04161	2.5
130.08754	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0876
Annotation	L-Leucine
Peak:m/z	Relative Intensity
57.03443	0.5
59.01369	0.6
69.83861	2.5
69.84264	0.9
71.01386	1.2
73.02950	2.6
84.08201	0.7
85.02969	0.8
87.04522	2.0
88.04040	1.4
130.08752	100.0
131.03491	1.1
131.08224	0.6
131.09090	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	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
50.78442	0.4
59.01376	1.3
66.09781	0.4
71.01384	63.9
71.21333	0.6
71.21651	0.6
72.01707	2.5
72.99312	15.1
73.99662	0.6
79.23456	0.5
86.78940	0.3
87.00916	0.9
89.02452	8.2
109.30216	0.4
115.00385	100.0
116.00715	4.3
133.01445	26.0
134.01801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31311	0.6
52.26302	0.5
55.42947	0.6
59.01363	1.8
65.57366	0.6
70.58363	1.1
71.01378	65.3
72.01709	1.8
72.99308	14.8
76.98850	0.6
87.00880	1.5
89.02441	7.2
115.00381	100.0
116.00710	4.3
130.36021	0.7
133.01440	25.9
134.01782	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	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01884	4.3
57.03447	19.9
58.02969	0.9
66.87783	0.6
67.01891	36.3
68.02224	1.0
68.99830	4.7
70.40161	0.7
70.86410	2.0
71.01380	3.2
72.99300	1.3
73.02942	2.4
83.01387	2.9
85.02950	11.5
86.03304	0.9
87.00867	1.8
88.04044	12.5
99.00898	1.1
101.02461	2.3
109.13181	0.8
115.00426	0.9
128.90179	1.7
129.01944	12.0
129.07509	1.5
130.08752	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	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01878	10.1
57.03447	57.9
57.58503	3.7
58.02983	8.0
59.01361	4.1
67.01890	95.2
68.02229	5.4
68.67429	3.6
68.99818	13.2
71.01377	11.2
71.64019	5.6
72.99306	6.2
73.02948	8.7
83.01389	7.8
85.02959	100.0
86.03294	3.9
87.00891	7.3
88.04047	95.3
99.00877	4.9
101.02445	11.1
102.49506	3.8
129.01949	43.7
130.08769	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01878	0.7
70.92597	1.0
71.01378	0.4
73.02949	100.0
74.03280	3.2
75.26481	0.4
99.00886	9.7
99.92624	0.7
116.92875	2.4
117.01958	16.3
118.02288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
70.99192	0.6
71.01397	0.3
73.02948	100.0
74.03284	2.8
96.08869	0.3
99.00888	9.1
99.92598	2.2
100.01257	0.4
116.92873	8.9
117.01952	18.5
117.92887	0.7
118.02261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
69.90486	4.2
93.03450	2.8
94.02990	1.1
108.02211	2.0
119.71372	1.1
121.02966	100.0
122.02534	1.5
122.03320	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	121.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00635	1.6
63.93377	1.8
69.57376	13.3
79.02284	2.1
79.81047	1.7
84.38995	1.7
93.03500	3.6
94.03008	3.3
121.02973	100.0
122.02514	4.6
122.03317	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	129.0196
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
50.13540	4.5
55.01872	17.1
57.03447	77.1
58.03773	5.2
67.01891	100.0
68.99807	18.5
69.45513	12.6
69.45926	30.3
71.01381	40.4
72.99279	8.0
73.02940	10.9
82.46170	4.6
83.01398	12.7
85.02953	39.1
87.00907	6.2
88.04047	24.7
91.75863	5.7
99.00900	5.6
101.02442	9.9
129.01974	52.8
130.08780	39.6
136.51140	5.6
143.32616	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	1161.6965
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03391	0.1
83.01335	0.2
83.04982	0.1
85.02954	0.4
87.00892	0.4
89.02449	1.0
95.01347	0.1
96.87373	0.0
97.02962	0.4
99.00835	0.1
101.02457	1.6
101.03080	0.1
109.02912	0.1
111.04533	0.0
113.02460	0.8
115.03999	0.0
119.03515	0.4
121.02908	0.1
123.04503	0.1
124.01627	0.0
125.02463	0.9
131.03459	0.1
133.05037	0.1
137.02420	0.1
139.03975	0.1
143.03514	0.3
151.03937	0.1
151.96680	0.0
158.87190	0.0
161.04559	0.5
164.96059	0.0
167.03566	0.1
179.05644	0.4
209.11697	0.1
211.13420	0.0
217.07039	0.1
219.04980	0.1
219.63541	0.0
221.06628	0.1
233.22607	0.1
235.06032	0.1
235.08234	1.2
253.09210	0.2
263.07520	0.1
277.21710	5.4
278.22028	0.5
287.07840	0.4
305.08771	0.7
316.36542	0.1
323.09808	0.2
363.26892	0.3
366.32190	0.1
377.28598	0.1
379.12363	0.1
379.30038	0.2
391.30222	0.1
397.13513	17.3
398.13800	1.4
407.25742	0.3
409.31171	1.2
410.31348	0.2
415.14554	5.1
416.14914	0.5
423.32944	0.1
425.26944	2.1
426.27130	0.3
437.30600	5.2
438.30896	0.8
439.31952	0.1
441.33871	0.1
455.31671	14.1
456.31964	2.5
456.38522	0.1
467.31659	0.1
485.32764	100.0
486.33118	17.9
487.33820	0.4
675.36163	3.5
676.36340	0.7
1161.71777	0.3
1162.70532	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	3.8
82.95887	0.3
83.01390	9.2
83.05047	0.3
85.02970	1.9
87.00897	1.1
89.02448	2.4
91.05537	0.4
93.03468	2.4
95.01391	2.1
95.05036	2.0
97.02953	4.3
98.19870	0.6
99.00898	0.5
99.04514	2.2
101.02446	3.9
102.23866	0.3
107.05038	1.2
108.02185	0.6
109.02964	5.9
111.04530	0.5
113.02451	2.1
117.03483	1.3
119.03484	0.6
119.05024	0.4
120.02211	0.7
121.02961	4.9
122.03799	1.4
123.00863	0.5
123.04535	2.3
124.01666	1.1
125.02460	44.7
126.02812	1.2
130.04265	0.6
131.05051	0.5
133.02974	1.2
135.03612	0.3
135.04564	3.6
137.02463	36.6
138.02856	1.1
139.04025	1.3
141.02000	0.3
143.03529	0.4
143.05032	0.4
143.75276	0.3
145.02980	3.6
146.03755	20.0
147.04579	2.0
149.02443	1.6
149.06076	0.4
150.03239	1.1
151.04004	2.9
154.02751	0.5
156.05797	0.4
157.06621	0.3
158.03769	0.6
159.04530	7.9
159.05772	0.6
160.05324	3.4
161.02461	1.4
161.04652	0.6
161.06079	2.0
162.03235	1.0
163.00436	0.9
163.04025	1.3
164.01173	11.3
165.01942	25.3
166.02306	1.0
167.03511	14.8
168.03880	0.7
171.04565	0.4
172.05304	5.3
173.06087	4.3
174.03230	10.3
174.04677	0.6
174.06854	3.2
175.04037	2.6
175.07382	0.4
176.04779	1.5
177.01942	4.8
179.03502	7.3
179.05258	0.5
179.05568	0.4
181.05122	0.7
183.04489	1.0
184.05318	0.6
185.06100	2.4
186.06857	2.6
187.04021	4.2
187.07658	0.9
188.04787	6.9
189.05524	1.8
190.02756	0.7
191.03447	1.1
196.05293	1.0
197.06029	1.1
198.06804	1.0
199.03998	0.8
199.07611	1.5
200.04794	5.4
200.08490	0.6
201.05580	4.3
202.06305	1.2
203.03412	0.7
204.04295	4.6
209.06027	2.1
210.06807	1.8
211.03989	2.2
211.07591	0.9
211.13403	0.5
212.04767	5.9
213.05501	1.8
213.09204	0.4
214.06305	0.4
215.07101	0.7
217.05064	0.4
217.12393	0.7
218.05841	0.7
219.03197	0.4
221.06683	3.9
222.06885	1.1
223.07632	1.1
224.04773	1.8
224.08394	0.5
225.05554	5.0
225.09114	0.4
225.12886	0.5
226.06279	2.8
227.03545	0.4
227.07072	1.3
227.10699	0.4
227.14410	0.6
228.04347	0.7
228.07825	1.0
229.12323	0.4
230.05870	0.5
234.06834	0.5
235.07681	0.4
236.04869	1.0
237.05614	1.5
237.09128	0.8
238.06339	0.9
239.07097	1.4
239.10754	0.6
240.07761	0.6
241.04929	0.4
241.12341	0.7
243.06670	0.4
243.10262	0.4
243.13898	1.9
244.07402	1.2
245.11815	0.6
249.05656	0.4
250.06404	0.9
251.07095	2.8
251.10880	0.4
252.07881	3.0
253.05115	0.6
253.08748	0.4
253.12280	0.9
254.05852	0.5
255.13940	2.5
257.11832	0.3
264.07895	0.4
265.08707	1.4
266.09421	0.5
267.06741	0.4
267.13748	0.5
268.07495	2.4
268.10126	0.4
269.08200	1.3
269.11819	4.2
269.15436	1.0
270.05682	0.6
270.08960	2.9
270.12476	0.9
271.13367	27.2
272.13699	2.6
273.14804	0.4
276.07962	0.8
277.21677	5.5
278.05862	1.0
278.21841	0.5
279.06641	0.7
281.11987	0.8
281.15338	0.5
283.13385	3.7
284.13837	0.4
285.15054	3.3
287.12900	2.7
288.06381	1.0
288.13556	0.5
289.14444	10.9
290.14783	1.1
293.08148	0.7
294.08978	4.4
295.09909	0.5
295.13434	3.5
297.14966	3.5
298.15393	0.4
299.12912	7.7
299.16425	0.7
300.13470	1.4
301.14423	3.5
302.14728	0.5
303.16031	0.8
307.13528	0.5
309.14941	2.3
311.12869	1.0
312.13638	0.6
313.14456	12.3
314.14795	1.4
315.16046	3.7
316.13022	0.5
316.16412	0.4
317.13934	5.5
318.14493	0.7
320.06973	1.2
322.12247	0.5
323.16403	0.4
325.14450	11.6
326.14789	1.5
327.16031	1.4
331.15482	3.6
332.15817	0.4
333.14771	0.5
335.12936	0.6
335.16516	3.5
337.14441	9.5
338.14835	1.1
341.13821	0.6
343.15497	6.2
343.19443	0.6
344.15869	0.5
349.14371	0.6
349.18173	1.0
351.15958	1.9
353.13782	0.7
353.17593	2.9
354.14331	0.4
355.15445	3.4
356.16006	0.7
359.16562	0.8
361.14545	0.4
367.15329	0.5
369.17136	2.1
370.17316	0.4
371.18542	0.7
375.15863	0.5
377.17551	5.0
378.18024	0.7
379.15353	2.2
380.15912	0.4
387.17877	0.4
391.19028	1.3
393.16864	2.6
394.17688	0.4
395.18628	4.9
396.19159	0.7
397.16696	0.4
398.16751	0.4
401.17584	2.2
409.15836	0.6
409.20728	0.5
411.17993	1.4
413.19489	2.0
417.17148	0.4
419.18600	11.6
420.18903	1.8
437.19653	8.6
438.20035	1.1
445.16629	1.6
455.20746	0.5
463.17780	2.5
464.17734	0.4
481.18866	1.0
633.38068	3.3
634.38306	1.1
635.39105	0.4
687.28809	0.4
715.28754	0.4
729.29901	2.1
730.30286	0.4
741.30072	0.7
753.30389	1.1
759.30927	0.7
835.34210	3.6
836.35370	0.8
861.32336	0.7
879.33240	2.2
880.33545	0.4
897.35284	0.5
947.50232	0.7
959.50305	1.3
973.52081	1.1
974.51074	0.5
975.49658	0.9
977.51544	0.6
989.51477	19.1
990.51935	7.1
1001.51453	9.6
1002.51746	3.3
1013.51440	11.7
1014.51880	3.8
1019.52533	12.2
1020.52582	4.9
1031.52332	0.9
1032.52734	0.5
1055.52100	1.9
1056.52356	0.7
1071.55505	1.0
1072.56897	0.4
1095.55530	15.6
1096.55994	7.1
1113.55273	3.7
1114.54199	1.4
1121.53577	6.4
1122.53821	2.6
1139.54529	100.0
1140.54810	46.9
1157.55518	75.7
1158.55811	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	1155.6851
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02689	0.1
81.03469	0.2
83.01377	0.1
83.05029	0.8
84.02157	0.1
85.02956	0.2
85.06561	0.1
87.00880	0.2
89.02460	0.3
93.03494	0.1
95.01427	0.1
95.05037	0.2
97.02955	0.1
97.06573	0.1
98.20614	0.1
101.02454	0.6
109.06603	0.2
111.08177	0.2
113.02477	0.5
119.03508	0.1
121.02994	0.1
121.06665	0.1
123.08186	0.1
125.02505	0.1
125.06075	0.1
125.09740	0.1
131.03574	0.1
133.05014	0.1
135.08218	0.1
139.07687	0.1
145.05087	0.2
149.09683	0.1
151.07602	0.1
155.77339	0.1
159.02963	0.0
161.04539	0.4
161.13367	0.1
163.11293	0.6
165.12863	0.3
167.10788	0.6
171.10286	0.7
177.12891	0.1
179.05653	0.2
179.10793	0.2
179.14439	0.8
181.12289	0.1
187.11253	0.1
191.10803	0.2
195.13908	2.2
196.14388	0.1
205.12349	2.3
206.12747	0.1
209.11835	25.3
210.10612	0.0
210.12184	1.8
223.13394	29.6
224.13724	2.1
227.12888	5.3
228.13237	0.3
235.08226	1.8
236.08565	0.1
241.19630	0.2
253.09286	2.4
254.09723	0.1
261.14948	1.0
293.19092	0.1
307.20538	0.1
321.22375	0.1
323.20212	0.1
323.23828	0.1
339.23285	0.2
351.23325	0.1
361.25385	0.1
363.26666	0.1
371.25989	0.2
375.27002	0.2
377.28595	0.3
379.30151	0.2
389.28323	0.1
391.25989	0.1
391.30222	0.2
393.27808	0.1
397.23676	0.1
403.25751	0.1
405.26755	0.2
407.29428	0.6
408.29642	0.1
409.31241	0.3
415.24918	0.3
419.29794	0.1
421.31308	0.1
427.19791	0.2
433.26239	0.1
437.30597	0.1
439.32141	0.1
441.21246	1.2
442.21628	0.1
445.20789	1.9
446.21146	0.3
459.22342	9.2
460.22678	1.3
463.21973	0.2
471.31207	0.1
473.32663	0.4
474.33066	0.1
485.32690	100.0
486.33041	18.0
487.33261	0.1
607.31427	0.1
625.32190	0.1
633.32977	1.9
634.33173	0.3
651.33948	8.6
652.34216	2.0
669.34924	3.7
670.35577	0.6
1154.28992	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	1157.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	4.0
83.01394	8.9
83.05038	0.5
85.02951	1.8
87.00875	1.2
89.02459	2.4
89.03999	0.3
91.05531	0.5
93.03458	2.6
95.01395	1.9
95.05021	2.4
97.02958	4.2
98.19925	0.4
99.00903	0.7
99.04522	1.8
101.02446	3.7
105.03433	0.3
107.04422	0.3
107.05016	1.3
108.02195	0.4
109.02966	6.2
109.06616	0.3
111.00872	0.7
111.04520	0.6
113.02446	1.7
113.06071	0.4
119.03538	0.5
119.05070	0.7
119.97141	0.3
120.02189	0.6
121.02970	5.5
122.03765	1.4
123.00925	0.8
123.04553	2.6
124.01668	1.1
125.02464	47.5
126.02799	1.5
130.04205	0.3
131.05075	0.6
133.02971	1.2
135.04530	3.3
137.02463	34.1
138.02760	1.5
138.81909	0.3
139.04024	1.7
143.03578	0.4
143.05020	0.3
145.02939	0.7
146.03760	19.4
147.04567	2.0
148.01683	0.4
148.05363	0.5
149.02463	2.2
149.06032	0.6
150.03235	1.4
151.03999	3.0
154.02710	0.7
157.06619	0.4
158.03717	0.8
159.04526	7.9
160.05312	3.0
161.02484	2.1
161.04668	0.4
161.06070	2.3
162.03227	1.4
163.00398	1.4
163.04065	0.7
164.01170	11.5
165.01945	26.6
166.02318	1.0
167.03526	13.2
167.04861	0.3
168.03876	0.6
171.04501	0.5
172.05322	4.9
173.02454	0.5
173.06091	4.1
174.03235	10.5
174.06828	2.2
175.04030	3.0
175.07480	0.3
176.04831	1.7
177.01949	5.4
178.02292	0.5
179.03508	6.9
180.03920	0.3
182.03827	0.3
183.04581	0.5
184.05296	0.7
185.06075	2.4
186.06862	2.0
187.04028	3.9
187.07622	0.5
188.04790	7.4
189.05579	2.1
190.02698	0.7
191.03514	0.9
196.05307	0.9
197.06070	1.5
198.06808	0.9
199.03981	0.8
199.07632	1.1
200.04802	5.3
200.08406	1.1
201.05560	3.9
201.09200	0.4
202.06294	1.3
203.03482	0.4
204.04271	3.4
208.05357	0.4
209.06100	2.3
210.06842	2.3
211.04053	2.1
211.07607	1.1
211.13324	1.4
212.04817	6.9
212.08249	0.3
213.05489	1.8
213.09167	0.6
214.06363	0.8
215.07104	0.4
217.05034	0.5
217.12453	0.5
218.05815	0.7
219.06682	0.3
221.06534	1.8
222.06786	0.4
223.07689	1.4
224.04849	1.7
224.08409	0.8
225.05585	5.2
225.09209	0.7
225.12901	0.5
226.06358	3.2
227.07143	1.4
228.04382	0.4
228.07851	1.0
229.05025	0.4
230.02164	0.3
234.06856	0.5
235.07800	0.6
236.04782	0.8
236.08508	0.5
237.05566	2.3
237.09206	0.4
238.06238	0.8
239.07106	0.8
240.07881	0.4
241.05061	0.4
241.08788	0.4
241.12299	0.9
243.06621	0.4
243.13878	1.9
244.07362	0.9
245.11803	0.5
246.05296	0.3
248.08467	0.3
250.06372	0.6
251.07100	3.3
251.10869	0.5
252.07915	3.6
253.05014	0.7
253.08440	0.4
253.12297	1.1
254.05833	0.6
255.13893	2.6
257.11343	0.3
259.13306	0.4
263.07245	0.5
264.07883	0.3
265.08740	1.2
266.05698	0.4
266.09363	0.5
267.06555	0.5
267.13916	0.7
268.07407	2.8
268.10107	0.4
269.08151	1.1
269.11804	4.0
269.15408	0.8
270.05200	0.3
270.06110	0.4
270.08945	3.2
270.12497	1.1
271.13373	24.1
272.13785	2.2
273.14963	0.4
275.07233	0.3
276.07864	1.1
277.05261	0.4
277.08652	0.4
277.21716	11.3
278.05835	0.6
278.22061	1.0
279.06601	0.6
279.10306	0.4
279.13705	0.4
281.11819	0.8
281.15488	0.4
283.13400	3.7
284.13940	0.4
285.14969	2.8
286.15329	0.5
287.05637	1.1
287.12885	1.6
288.06348	1.3
289.07022	0.6
289.14432	6.2
290.14847	0.6
292.07446	0.7
293.08228	0.6
293.15347	0.4
294.08969	4.6
295.09662	0.5
295.13406	2.5
297.14963	3.8
298.15109	0.5
299.12897	7.5
299.16199	0.5
300.13300	1.5
301.14441	2.9
302.14774	0.3
303.16080	0.4
307.13339	0.5
308.10440	0.5
309.15002	1.9
311.12964	0.8
311.16483	0.3
312.09988	0.5
312.13547	0.6
313.14450	12.6
314.14755	1.9
315.15997	2.8
316.13229	0.5
316.16486	0.5
317.13965	3.1
318.14365	0.4
319.13492	0.4
320.06946	1.4
323.13031	0.5
323.16647	0.3
325.14481	9.8
325.17847	0.3
326.14777	1.5
327.16034	0.8
330.14410	0.4
331.15494	2.3
333.14813	0.6
335.12863	0.5
335.16458	3.3
336.16916	0.6
337.14441	10.0
338.14795	1.2
341.14069	0.5
343.15540	5.9
344.15726	0.6
349.14407	0.4
349.18222	0.8
351.15985	2.0
353.13843	0.8
353.17584	2.0
355.15372	2.5
359.16476	0.6
361.14441	0.5
365.17456	0.4
369.17007	1.1
375.15945	0.7
376.16739	0.4
377.17648	4.6
378.17953	0.6
379.15506	2.7
391.15326	1.0
391.19958	1.4
393.17120	2.1
394.17496	0.6
395.18698	5.0
396.19122	0.6
397.12750	0.4
397.16977	0.6
401.17395	1.7
411.18256	0.6
413.19498	1.8
415.14395	0.6
419.18674	11.6
420.19119	2.0
421.16473	0.7
437.19653	6.5
438.20099	1.1
445.16461	1.7
455.20590	0.3
463.17694	3.5
464.17953	0.5
469.33206	0.3
481.18793	1.1
543.33606	0.4
591.26709	0.3
616.75275	0.3
715.28833	0.5
729.30072	1.1
741.30707	0.5
753.30164	0.5
817.33331	0.6
835.34082	2.2
861.32678	0.4
869.05066	0.3
879.33130	1.3
880.34039	0.5
947.49890	0.5
959.49957	1.2
960.50500	0.6
973.52112	1.1
974.51288	0.6
975.50317	0.6
976.49261	0.4
977.49219	0.8
978.50769	0.4
989.51520	15.9
990.51715	5.8
995.49548	0.4
1001.51544	8.6
1002.51874	3.0
1013.51355	10.1
1014.51868	3.9
1019.52533	9.2
1020.52820	4.0
1031.52979	1.2
1032.52332	0.4
1055.52515	1.5
1056.52917	0.7
1071.54846	1.5
1095.55725	14.0
1096.56055	6.4
1113.54858	3.4
1114.55786	1.6
1121.53455	5.8
1122.53943	2.5
1139.54553	100.0
1140.54797	46.2
1157.55542	73.6
1158.55896	36.7
1158.83472	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.6958
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03982	0.4
93.03495	0.1
96.95953	0.1
97.34472	0.1
115.95782	0.1
116.92863	0.2
117.03478	23.3
118.03815	0.9
119.05039	4.1
120.05376	0.1
121.02977	0.3
123.04538	0.2
125.02467	0.3
137.02478	0.2
145.02968	89.5
146.03300	3.7
147.04442	0.1
162.03177	0.2
163.04024	3.5
164.01027	0.2
164.04279	0.1
165.02016	0.1
186.90802	0.1
253.09340	0.2
277.21719	1.2
289.07098	0.2
297.86063	0.1
328.75061	0.1
409.27332	0.2
421.30994	0.1
423.29324	0.2
425.30786	0.2
437.30588	0.2
439.31915	0.3
455.31604	0.5
456.31491	0.1
467.31598	0.4
469.33255	2.6
470.33582	0.6
487.34225	0.4
513.32098	0.8
589.38464	0.2
633.38062	100.0
634.38397	22.4
635.38544	0.2
774.94690	0.1
1147.59717	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	1153.7066
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05034	0.1
121.02937	0.1
121.06638	0.1
125.02465	0.2
139.91237	0.1
140.14125	0.1
161.02454	0.2
177.01857	0.1
179.14461	0.1
189.12863	0.1
195.13829	0.3
205.12401	0.2
211.13428	0.1
223.13373	2.6
224.13721	0.2
253.09314	0.1
289.07275	0.1
363.26938	0.1
364.27411	0.2
365.28442	0.2
377.28458	0.1
389.28366	0.2
391.30011	0.3
403.30289	0.1
407.25360	0.1
407.30084	0.1
408.26157	0.2
409.26550	0.1
409.31143	0.2
411.25229	0.1
421.31152	0.2
423.32846	0.3
425.26996	1.1
425.34238	0.8
426.27356	1.3
426.34097	0.1
427.28088	0.9
428.28610	0.1
441.21570	0.1
459.22415	0.6
460.22464	0.1
467.31882	0.1
469.33286	0.7
470.33597	0.1
485.29300	1.7
486.29636	2.2
487.34277	100.0
488.34610	17.9
497.29196	0.6
498.29300	0.6
499.29889	0.5
503.13651	0.1
595.31299	0.1
621.33087	0.1
647.34216	0.5
649.37659	0.1
665.35498	1.2
666.35992	0.3
1153.69775	0.2
1154.70618	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
79.63769	0.2
81.03476	0.3
83.01389	5.1
85.02964	0.5
89.02451	0.3
93.03466	1.0
95.01388	1.0
98.20671	0.4
101.02483	0.4
105.03487	0.6
107.01401	5.9
108.02219	1.0
109.02964	3.9
110.00124	0.2
111.00896	0.6
113.02448	0.4
119.03600	0.2
119.05048	0.8
121.02963	2.2
123.00928	0.5
123.04543	3.1
124.01690	1.9
125.02460	90.2
126.02789	2.7
129.08144	0.2
131.05098	0.2
133.03029	0.4
135.00899	0.7
135.04520	0.5
137.02475	3.3
139.04033	1.7
143.05090	0.3
145.02988	0.8
146.03751	0.7
147.04532	1.6
148.01666	0.4
148.05344	0.2
149.00679	0.4
149.02455	7.8
150.03255	1.9
151.00385	18.8
151.04008	3.5
152.01166	3.9
153.01953	24.2
154.02322	0.7
155.10809	1.4
158.03731	0.2
159.04523	0.3
160.01755	0.5
160.05353	0.2
161.02441	2.3
161.06075	0.9
162.99025	0.3
163.00394	4.8
163.03973	1.1
164.01169	0.4
165.01979	0.9
165.05550	0.4
166.02727	0.4
167.03502	0.5
167.04999	0.2
169.01413	2.7
171.04532	1.4
172.05205	0.6
173.02411	0.7
173.06017	0.9
174.03215	2.5
175.00392	0.6
175.04013	18.0
176.01154	1.4
176.04361	0.9
177.01944	21.5
178.02330	0.9
178.99870	21.7
180.00287	1.0
181.01456	2.7
183.04648	0.3
183.13965	0.2
185.06096	0.6
187.03967	0.7
188.04811	2.0
189.01927	0.5
189.05576	4.4
190.02702	0.2
191.03477	2.0
191.05293	0.3
191.07178	0.6
193.01375	0.2
193.05107	1.0
193.08777	0.2
195.02991	0.2
197.06087	0.7
198.03201	0.5
199.04010	10.2
199.09747	1.3
200.04413	0.6
200.10033	0.2
201.01921	2.7
201.05609	0.3
202.02521	0.4
202.99887	0.3
203.03543	0.5
203.07155	0.5
205.01549	0.3
205.05052	0.3
206.02245	0.2
211.03992	0.5
212.04834	0.5
213.05563	1.7
214.02676	0.4
215.03529	0.8
215.07146	0.5
216.04301	1.8
217.01674	0.3
217.05048	10.7
218.05396	0.7
219.03003	0.7
223.04124	0.4
227.03473	0.8
228.04024	0.2
229.05066	0.6
230.05782	0.3
231.06532	1.5
236.98715	0.2
239.03410	0.3
240.04256	0.3
241.05055	8.8
241.10661	0.4
242.02173	0.7
242.05484	0.6
243.02971	4.7
244.03419	0.2
245.04509	0.8
254.02107	0.5
255.02965	5.7
256.03503	1.0
257.04633	1.9
258.04993	0.3
259.06094	5.2
260.06436	0.4
267.03040	0.5
269.04504	0.2
271.02457	11.5
271.43204	0.2
272.02872	1.6
273.03668	0.3
275.05597	13.0
276.05997	0.9
283.02487	0.5
283.11847	0.7
284.03134	0.7
285.04034	70.3
286.04388	5.0
287.05536	0.4
289.07269	0.5
299.02362	0.3
299.05597	1.3
300.02765	12.7
301.03445	6.2
302.03619	0.8
303.05084	100.0
304.05441	6.7
309.03979	0.8
327.05087	1.4
328.05380	0.2
329.06927	0.2
341.06641	0.4
343.13995	3.3
344.14471	0.4
345.06348	0.3
369.06027	0.2
392.04672	0.2
408.90222	0.2
463.21872	0.2
489.10333	6.7
490.10703	1.5
491.11041	0.5
491.21405	0.2
492.11282	0.4
492.21637	0.3
497.16849	0.3
523.14642	0.8
524.15131	0.3
525.16370	1.0
529.07849	0.2
534.57837	0.2
543.28192	0.2
603.29883	0.2
619.20819	1.4
620.20752	0.3
629.18726	2.4
630.19061	0.4
647.19885	96.1
648.20184	15.9
917.64081	0.2
1137.43152	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.571
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	1.7
81.03442	3.4
83.01391	9.1
83.05035	0.9
83.48110	0.5
85.02962	1.5
87.00884	1.3
89.02443	2.5
93.03466	2.1
95.01376	1.8
95.05053	1.6
97.02960	3.9
99.04528	2.4
101.02455	3.7
107.05055	1.3
108.02187	0.5
109.02970	7.0
111.00842	0.7
113.02451	2.2
116.92855	1.2
119.03524	0.7
119.05068	0.5
120.02243	0.6
121.02986	3.7
122.03767	1.4
123.00850	0.8
123.04518	1.6
124.01674	0.7
125.02457	42.6
126.02792	1.2
131.05061	0.5
133.02945	1.1
135.04539	3.5
137.02454	32.8
138.02911	1.1
139.04033	1.8
145.03014	0.5
146.03745	16.2
147.04478	1.7
149.02460	1.9
149.06113	0.6
150.03214	1.4
151.04027	2.7
152.99579	0.6
158.03738	0.5
159.04514	7.2
160.05347	3.4
161.02448	1.9
161.04623	0.8
161.06076	1.7
162.03204	0.8
163.00423	0.8
163.04030	0.8
164.01157	9.9
165.01944	23.0
166.02301	0.6
167.03500	14.0
172.05312	4.4
173.06102	2.6
174.03224	8.3
174.06870	2.2
175.03970	2.0
176.04828	1.4
177.01935	4.7
179.03500	6.9
181.05124	0.6
183.04565	0.7
184.05341	0.6
185.06071	2.3
186.06879	1.9
187.04016	3.4
187.07646	0.6
188.04811	5.5
189.05516	1.2
190.02695	0.8
191.03474	1.2
196.05272	0.6
197.06129	1.5
198.06950	0.9
199.07701	0.9
200.04805	4.5
200.08394	0.7
201.05589	3.5
202.06273	0.8
204.04280	3.3
209.06107	1.4
210.06836	2.1
211.04007	2.1
211.07657	1.4
211.13412	1.0
212.04765	5.4
213.05511	1.6
213.09181	0.7
214.06302	0.7
217.12447	0.7
221.06696	1.4
222.06888	0.8
223.07643	1.3
224.04776	1.7
225.05550	4.1
225.12914	0.8
226.06248	2.5
227.07027	1.3
228.04187	0.7
228.08006	0.9
235.07968	0.8
236.04747	0.6
237.05530	1.9
238.06343	0.9
239.07072	1.7
240.07849	0.7
241.12340	1.1
243.13884	1.2
244.07401	0.7
245.11832	0.5
250.06279	1.2
251.07045	2.8
252.07903	2.4
253.08948	0.8
253.12164	0.7
255.13904	2.6
255.23273	14.4
256.23691	1.2
265.08688	0.8
267.13910	0.9
268.07440	2.5
269.08170	0.9
269.11844	3.3
269.15250	0.5
270.08926	3.4
270.12173	1.1
271.08987	0.9
271.13364	20.9
272.13736	1.6
273.14807	0.5
276.07831	1.1
278.05856	0.9
281.12021	0.6
281.15570	0.8
283.13431	3.1
285.14920	2.2
287.12793	1.5
288.06345	1.0
289.14389	5.9
292.07385	0.6
293.08167	0.5
294.05536	0.8
294.08875	4.9
295.09827	0.5
295.13370	1.9
297.14764	2.8
299.12885	7.8
299.16104	0.9
300.13336	1.4
301.14474	2.5
309.14996	2.0
311.12991	0.9
313.14441	10.2
314.14792	1.5
315.16187	2.4
317.14120	2.7
320.06888	1.7
325.14435	9.9
326.14877	0.9
331.15506	1.7
333.14575	0.6
335.16586	2.9
337.14465	8.1
338.14972	0.6
343.15466	5.1
344.15955	0.6
349.17938	0.8
351.15939	1.6
353.13632	0.6
353.17532	1.5
355.15500	2.7
361.14200	0.7
362.15491	0.5
369.17145	1.2
377.17722	4.9
378.17902	0.8
379.15512	2.5
391.19080	1.5
393.16934	2.7
395.18576	5.2
396.18829	1.1
397.13229	0.5
401.17603	1.9
411.18091	0.8
413.19745	1.6
417.17728	0.5
419.13531	0.8
419.18665	12.2
420.19022	2.0
421.16556	0.7
437.19650	6.2
438.19803	1.0
445.16617	1.4
463.17838	2.8
481.18878	0.9
539.56958	0.5
729.30225	0.8
753.30127	1.0
835.33606	1.4
889.72974	0.6
951.54456	1.0
954.51202	0.5
967.52863	15.1
968.53021	5.1
979.53137	7.0
980.53833	2.4
982.79871	0.7
991.52936	10.2
992.53937	2.9
997.53857	11.0
998.53864	4.0
1009.52942	1.0
1033.53748	1.5
1049.57214	1.3
1051.55432	0.7
1073.57373	13.9
1074.57056	5.3
1091.56836	3.4
1092.56091	1.1
1099.55029	6.2
1100.54651	2.5
1117.56128	100.0
1118.56470	40.3
1118.75525	0.9
1135.57104	86.4
1136.57312	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1113.5836
Annotation	Unknow
Peak:m/z	Relative Intensity
97.06600	1.0
99.92599	0.6
110.64935	0.3
112.69281	0.3
116.92883	3.7
377.28229	0.4
391.30066	1.0
393.31638	0.6
405.31586	0.6
407.33231	3.0
408.33707	0.6
423.32736	1.2
424.33124	1.0
425.34067	0.5
438.13083	0.3
441.33441	0.4
451.31985	1.8
452.15204	0.4
453.15128	0.5
453.33746	2.2
469.33337	7.0
470.33746	5.1
471.34772	55.0
472.35123	7.8
481.15280	5.8
482.15515	2.6
483.15231	0.8
495.16901	1.8
496.17197	0.7
497.16986	0.8
514.14948	0.4
539.15729	0.4
540.16626	2.4
541.16339	1.0
542.16174	0.4
553.16644	0.3
554.17981	0.7
555.18842	4.3
556.19379	1.3
572.15558	6.2
573.15674	1.9
574.15747	0.8
586.17194	1.2
587.17188	0.6
610.21698	0.4
627.20801	0.4
641.22650	8.8
642.22974	2.9
643.22778	1.5
813.89459	0.4
980.12756	0.4
1113.58105	100.0
1114.58386	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19059	1.3
53.33704	1.2
55.01880	8.2
57.03444	30.7
58.03751	1.6
67.01889	1.8
68.99573	79.1
69.03449	12.7
69.31046	3.5
69.31458	9.2
71.01389	6.2
72.00892	2.2
73.80078	1.2
75.71711	1.3
83.01385	5.0
84.02163	12.7
85.02954	100.0
86.03296	3.9
95.01389	3.8
98.20626	2.6
112.98598	3.2
112.99942	1.3
113.02453	39.5
113.06096	1.8
114.01961	3.8
114.02761	2.0
114.05618	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	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71767	0.3
53.15819	0.2
55.01883	0.5
67.01894	1.5
70.67648	0.9
78.95907	100.0
83.01396	1.9
88.82175	0.3
110.78299	0.3
110.89923	2.9
110.98537	4.5
111.00897	4.2
112.01248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67699	1.1
55.01877	26.6
56.02172	1.1
62.01935	1.1
66.60475	0.9
67.01885	14.8
69.87080	3.0
69.87502	3.8
71.01383	4.0
78.95908	100.0
79.95745	1.2
80.20544	1.2
83.01391	92.4
84.01720	3.1
94.74812	1.1
95.94444	1.2
96.05608	1.2
110.97588	9.2
110.98465	2.5
111.00894	52.8
111.04581	1.3
112.01218	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01877	19.3
56.02219	0.9
62.10878	0.8
62.72562	0.8
65.06802	0.8
67.01888	17.5
70.02788	1.1
70.10869	3.9
71.01388	2.2
78.95905	100.0
81.04572	1.0
83.01391	58.3
84.01723	2.7
92.62811	0.8
96.97018	1.1
99.00890	0.9
108.63566	0.9
110.97597	7.1
110.98556	3.4
111.00893	48.4
111.04516	1.8
112.01205	2.5
112.04025	1.1
122.00005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1099.568
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95932	0.1
97.06648	0.1
109.84583	0.1
125.02468	0.2
141.38501	0.1
152.23586	0.1
153.16971	0.1
161.02521	0.1
197.94107	0.1
343.54300	0.1
374.87701	0.1
391.30350	0.1
407.33121	0.1
432.83704	0.1
437.11932	0.4
438.13129	0.7
439.13602	0.2
449.16339	0.1
450.13242	0.2
451.13968	0.8
451.31961	0.1
452.14868	2.5
453.15228	0.7
453.33868	0.4
453.39380	0.1
454.33551	0.1
455.17444	0.1
464.14404	0.1
465.10931	0.1
465.15668	0.6
466.16827	0.8
467.16940	0.3
469.11578	0.3
470.15787	0.2
471.34851	0.2
472.34958	0.1
475.13788	0.1
477.15817	0.1
478.12601	0.1
479.12454	0.2
479.18307	0.8
480.14557	0.8
481.15002	7.5
482.15268	1.9
483.20505	0.3
484.13550	0.4
485.14035	0.1
487.30093	0.1
488.13861	0.1
490.16785	0.1
491.17526	0.1
492.14664	0.2
493.15302	1.9
494.15717	1.0
495.16724	13.2
496.17041	3.5
496.24609	0.1
497.17667	0.3
498.15298	0.4
499.15784	0.1
502.14621	0.1
503.13660	0.1
505.18781	0.1
507.16290	1.2
508.17892	2.1
509.18515	1.4
510.18234	0.3
511.16083	0.2
512.13098	1.7
513.13495	0.4
514.14380	0.2
516.12463	0.1
517.15332	0.1
518.15973	0.3
519.16461	0.5
520.16931	0.1
521.14380	1.0
522.14502	0.5
523.16400	0.7
523.18964	0.7
524.18970	0.3
525.14276	0.3
525.17224	0.3
526.14514	0.9
527.15118	0.2
528.16602	0.2
529.16693	0.1
530.14679	0.3
531.14105	0.1
533.18268	0.8
534.18506	0.1
535.16174	2.2
536.16907	2.7
537.17261	0.6
539.15601	0.7
540.16779	3.4
541.16760	0.8
542.15472	0.1
544.15753	0.3
545.16357	0.1
549.17645	0.2
550.15930	0.1
551.19293	43.6
552.19574	12.1
553.17621	0.7
554.18396	2.2
555.18927	1.4
556.18677	0.3
567.18738	0.6
568.15710	0.8
569.16425	0.2
572.15521	3.6
573.15845	0.8
583.22363	0.6
584.22412	0.2
585.19763	0.1
586.17108	4.0
587.17230	1.1
595.18304	1.8
596.18634	0.4
600.18463	0.3
601.18420	0.1
626.20422	0.1
627.21063	100.0
628.21338	29.3
628.42236	0.2
629.21393	0.6
644.17401	0.1
776.13525	0.1
1082.89771	0.1
1099.56763	1.4
1100.57092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0213
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
50.00340	1.8
50.05599	1.3
59.98307	1.3
65.01462	1.7
67.03004	15.5
71.58477	1.5
79.03017	5.5
81.03461	3.5
82.02990	4.0
108.02180	35.1
108.04572	18.7
109.02965	100.0
109.04031	7.1
113.41949	1.4
119.60980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
78.62894	0.1
83.01390	0.4
85.02944	0.5
87.00871	0.3
87.43618	0.1
91.01880	0.2
93.03469	0.5
95.01414	0.3
99.00877	0.4
99.04489	0.1
101.02475	0.3
107.01414	1.3
108.02194	1.9
109.02994	1.0
110.86382	0.1
113.02441	0.5
117.03485	0.3
119.05028	0.3
121.02962	0.9
123.00916	0.2
123.04572	0.3
125.02452	1.0
129.01996	0.1
133.02975	0.3
135.00909	0.7
135.04517	0.2
137.02444	0.4
139.04050	0.2
139.11266	0.2
145.02992	0.6
147.01013	0.2
148.01656	0.9
149.02486	0.3
151.00394	5.8
152.01070	0.5
153.01904	0.6
155.10754	0.6
158.03802	0.2
159.04555	0.3
160.01646	0.2
161.02466	0.7
163.00412	1.5
163.03993	0.4
164.01140	0.6
165.01971	0.3
165.05537	0.2
169.01456	0.5
169.06612	0.3
171.04530	0.4
173.02449	0.1
173.06041	0.2
174.03206	0.3
175.04037	0.5
177.01854	0.3
178.99875	3.2
179.03419	0.2
181.12376	1.8
182.03676	0.2
183.04495	0.6
183.10243	0.3
185.06085	0.4
187.03963	0.7
188.04546	0.3
189.02110	0.2
189.05492	0.2
192.00620	0.3
198.03241	0.3
199.03960	0.9
201.01981	0.2
201.05513	0.3
203.03464	0.4
211.03989	1.0
212.04439	0.2
213.05574	0.3
214.02556	0.2
215.03505	0.7
216.04401	0.3
225.11333	0.5
226.02719	1.3
227.03499	12.0
228.03847	1.0
229.05006	0.8
239.03400	0.3
240.04144	0.2
241.05003	0.2
243.02969	8.9
244.03423	0.9
245.04527	0.5
249.06104	0.5
254.02184	2.0
255.02969	37.0
256.03452	4.0
257.04465	0.5
269.04474	0.2
270.01456	0.2
271.02454	48.9
272.02863	5.2
273.03772	0.7
283.02466	5.3
284.03247	13.6
285.04007	11.7
286.04340	1.3
289.07166	0.2
299.02057	1.4
300.02747	93.4
301.03369	20.7
302.03909	1.3
327.05167	0.4
343.04602	0.2
369.06824	0.2
419.10025	0.7
430.08749	0.7
431.09857	3.0
432.09531	0.2
433.07785	0.3
457.07480	0.2
474.14859	0.2
475.08798	100.0
475.17828	4.9
476.09143	14.1
476.18576	0.6
489.10327	22.3
489.23212	1.6
490.10687	2.9
490.23267	0.2
605.15063	3.0
606.15552	0.6
619.16876	2.9
620.16956	0.5
621.17151	0.3
1095.36328	0.5
1096.43457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1065.692
Annotation	Unknow
Peak:m/z	Relative Intensity
77.50052	0.1
78.95894	0.2
83.01405	0.2
83.05026	0.2
85.02968	0.3
87.04491	0.3
96.96034	0.3
109.02967	0.4
116.92854	0.4
117.03477	0.1
119.04990	0.2
123.04527	0.3
125.02465	0.6
137.02443	0.3
145.02962	0.4
145.98724	0.1
150.03256	0.1
151.03970	0.3
151.07414	0.1
163.04056	0.2
165.01903	0.2
189.46640	0.1
191.03462	0.2
193.04781	0.1
203.07202	0.2
211.13461	0.2
219.02879	0.2
231.69389	0.1
271.06024	0.3
285.04120	0.2
289.07172	0.3
307.24170	0.2
325.90567	0.2
334.33527	0.2
355.30109	0.2
357.27936	0.2
365.28696	0.7
369.27960	0.4
381.28232	0.7
383.29562	0.4
393.27707	0.3
393.31903	0.2
395.29761	0.8
405.31720	0.2
407.29553	0.8
409.31805	0.9
410.31903	0.2
411.28769	0.3
413.30756	0.3
423.28400	0.3
425.30435	0.8
439.28571	0.3
451.28406	0.2
453.30032	0.6
457.33435	0.3
467.31689	0.3
485.32755	4.2
486.32892	0.7
501.32278	5.6
502.32666	1.7
503.33734	48.4
504.34100	9.4
505.35150	1.2
506.35529	0.3
521.35004	0.3
545.34558	0.3
561.34613	0.6
562.34851	0.9
563.35913	100.0
564.36273	20.7
565.36255	0.3
1065.46582	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	1061.6582
Annotation	Unknow
Peak:m/z	Relative Intensity
74.59399	0.1
78.95928	0.2
83.05025	0.2
87.04526	1.6
87.05047	0.1
89.00649	0.1
93.03488	0.1
96.96044	0.2
98.20605	0.2
125.02501	0.4
137.02545	0.1
191.05717	0.2
209.11795	0.1
260.86890	0.1
327.26950	0.1
339.26703	0.1
341.28500	0.1
353.28748	0.1
361.97195	0.1
365.28424	0.7
371.29816	0.2
372.29648	0.1
379.30115	0.4
381.28098	0.3
383.29669	0.5
385.23932	0.1
385.30896	0.2
397.31265	0.2
409.31592	0.6
411.29382	0.1
423.28513	0.2
425.30627	0.5
426.31018	0.2
427.32196	0.3
439.32471	0.3
441.33707	0.5
442.33817	0.2
453.30109	0.4
467.31412	0.2
469.33319	4.8
470.33524	0.8
481.28870	0.2
483.27573	0.4
487.34286	50.2
488.34641	9.1
499.30325	0.8
501.32196	0.9
513.28540	7.2
514.28851	1.7
546.34399	0.2
547.36340	100.0
548.36707	20.8
559.32672	3.4
560.32904	0.6
561.33728	0.2
573.32153	0.1
789.23492	0.2
830.04846	0.2
1007.46295	0.2
1061.62585	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.6579
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95930	0.1
83.05054	0.2
85.02946	0.1
87.04518	2.0
90.21946	0.1
91.54127	0.1
95.05022	0.1
96.96038	0.1
96.96927	0.1
97.66055	0.1
125.02486	0.3
135.08154	0.1
137.02493	0.3
147.53963	0.1
177.01967	0.1
222.35263	0.1
245.49226	0.1
289.07111	0.2
325.25497	0.1
327.26837	0.1
341.28458	0.1
353.24805	0.2
353.28647	0.2
363.26987	0.1
365.28461	0.8
371.29385	0.4
379.30072	0.4
381.28088	0.3
383.29608	0.4
384.29776	0.1
385.31073	0.2
395.29633	0.2
397.31192	0.2
407.29379	0.1
409.31403	0.8
411.28998	0.2
413.30646	0.1
423.28506	0.2
423.33313	0.2
425.30554	0.3
427.32159	0.4
439.27612	0.1
439.32886	0.2
441.33554	0.5
442.34067	0.1
453.30103	0.3
453.82932	0.1
467.31458	0.3
468.32047	0.1
469.33224	4.5
470.33377	0.8
483.27301	0.1
485.32669	0.8
486.33298	0.8
487.34235	46.7
488.34576	9.5
505.35324	0.3
513.28534	7.3
514.28937	1.5
515.29028	0.2
529.35126	0.1
545.34924	1.6
546.35089	1.9
547.36285	100.0
548.36652	20.4
577.34277	0.2
670.32056	0.1
814.03491	0.1
1024.71777	0.1
1062.52686	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	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01382	17.3
70.21769	0.9
70.54351	0.9
71.61711	1.9
72.99310	57.4
73.91410	0.9
73.99644	1.4
75.00878	31.7
80.02873	0.8
82.48555	1.0
82.62303	0.9
105.01946	100.0
106.02292	3.6
111.97379	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.6995
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02600	0.4
73.02949	3.4
78.95893	0.6
85.06587	1.3
85.61182	0.4
87.35525	0.4
88.98781	0.6
173.79478	0.4
195.80188	0.4
198.62668	0.4
245.64320	0.4
293.10257	0.4
365.28619	0.7
369.31519	0.8
392.30121	0.5
405.31714	4.4
406.32129	0.9
419.29736	0.6
421.30969	1.3
422.31311	0.5
423.32639	1.7
446.04745	0.6
449.30563	6.1
450.30954	1.6
451.32132	6.0
452.32367	1.3
467.31644	46.4
468.31961	12.4
469.25620	0.5
469.33139	49.9
470.33585	9.5
527.33716	94.6
528.34052	27.2
529.35217	100.0
530.35590	18.8
530.43695	0.6
862.97913	0.5
914.21930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.6954
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99346	0.1
73.02948	1.5
73.03342	0.1
79.95728	0.1
83.05019	0.1
87.04517	2.2
90.33056	0.1
95.38113	0.1
96.96021	0.1
109.06595	0.1
116.92886	0.3
137.06117	0.1
144.75723	0.1
155.84724	0.1
209.11861	0.2
289.18198	0.1
325.25473	0.1
327.26904	0.1
331.26208	0.1
334.91031	0.1
339.26773	0.1
341.28430	0.2
350.16644	0.1
353.28519	0.2
363.26990	0.1
365.28522	0.6
366.28726	0.1
371.29651	0.4
379.26147	0.1
379.30295	0.5
380.30298	0.2
381.28140	0.3
383.29446	0.4
385.31177	0.2
387.32574	0.1
391.30295	0.2
393.28122	0.1
395.29596	0.2
397.26749	0.1
397.31213	0.3
401.30615	0.1
407.29211	0.1
409.31546	0.7
410.31909	0.1
411.28995	0.1
413.30594	0.2
423.28287	0.1
423.32819	0.2
425.30460	0.4
427.32681	0.3
439.32605	0.3
440.31958	0.1
441.33850	0.5
442.34500	0.1
453.30090	0.3
454.30371	0.1
457.33417	0.1
467.31635	0.2
468.32245	0.1
469.33203	4.7
470.33633	1.0
471.31171	0.2
487.34235	50.8
488.34586	9.5
501.32443	1.5
502.32782	0.4
505.35333	0.2
529.35492	0.2
545.34210	0.1
547.36292	100.0
548.36652	20.3
561.34564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99324	0.2
81.03460	0.4
83.01387	1.0
83.05041	0.5
85.02956	0.8
87.00889	0.5
89.02449	0.2
91.01933	0.2
93.03466	13.1
94.03825	0.3
95.01427	0.2
98.19849	0.2
99.00880	0.2
99.04539	0.2
99.60092	0.1
101.02460	0.2
102.82367	0.1
107.01404	1.7
108.02179	0.4
109.02940	1.1
111.00905	0.4
111.04542	2.0
113.02450	0.3
115.00383	0.5
117.03458	1.0
119.05048	4.1
121.03009	0.3
123.00906	0.3
123.04556	0.3
125.02477	0.9
127.04059	0.3
129.01993	0.2
130.04291	0.3
131.05040	0.2
132.02278	0.2
133.02979	0.4
135.00877	0.7
137.02452	2.6
141.07098	0.2
143.05077	1.3
145.02992	1.4
145.06596	0.4
149.99576	0.2
151.00377	2.9
151.03972	0.2
152.01172	0.2
153.01955	0.5
154.04292	1.1
155.03532	2.6
155.04939	0.4
155.10800	0.2
156.05826	0.2
157.06630	0.4
159.04514	0.9
161.02498	0.4
161.06056	0.2
163.00392	1.5
163.03999	2.1
164.01172	0.4
165.01967	1.3
167.03549	0.2
167.05038	0.5
169.01482	0.7
169.06624	2.3
171.04495	0.8
173.02277	0.6
173.04567	17.1
174.03477	0.1
174.04933	0.5
175.04051	0.2
177.01903	0.3
177.05493	0.2
178.99815	0.3
179.03610	0.1
180.04137	0.2
181.05095	0.3
182.03793	0.3
183.04553	0.9
184.05125	0.2
185.02509	0.2
185.06088	2.5
187.03993	2.2
189.05580	1.9
191.03766	0.2
191.05615	2.9
192.00668	0.1
192.05891	0.2
195.04556	0.5
195.06580	0.3
196.05307	0.3
197.06075	0.7
197.09746	0.2
198.03192	0.2
199.03998	0.6
201.05583	0.5
203.03545	0.3
210.06841	0.7
211.04071	1.7
211.07600	3.2
211.55069	0.1
212.04681	0.5
213.05551	3.4
214.02722	1.3
214.05931	0.2
215.03491	1.0
217.01166	0.2
217.04991	0.3
223.07547	0.7
225.05484	0.1
227.03491	8.3
228.03943	0.6
229.05054	5.7
229.06856	0.1
230.05376	0.4
235.07660	0.5
237.09203	0.8
239.03497	1.4
239.10852	0.3
240.04269	0.6
241.05019	1.5
243.03026	1.2
251.09291	0.3
255.02969	26.9
256.03479	3.0
257.04547	5.3
258.04880	0.4
265.08527	1.3
267.02966	0.5
268.03586	0.3
269.04382	0.3
271.06149	0.3
283.02478	29.7
284.03223	22.3
285.04025	100.0
286.04376	7.6
286.07678	0.2
289.07080	0.2
297.03979	0.4
298.04517	0.2
309.04019	0.3
309.07687	1.0
327.05048	0.4
327.08704	0.7
337.09302	2.5
373.13150	0.2
385.12888	0.2
399.07236	2.0
400.07520	0.3
417.08270	8.9
418.08762	0.7
430.09024	7.4
431.09811	24.2
432.10141	2.6
440.27866	0.1
441.11862	0.3
471.07858	0.2
481.17001	0.2
515.08368	1.0
563.14008	28.2
564.14362	4.1
577.13599	0.3
615.17261	0.2
659.22827	0.2
661.13879	0.9
671.12848	0.4
683.17889	10.1
684.18390	1.5
709.17218	1.0
725.95483	0.2
727.16827	22.2
728.17126	4.6
829.23535	0.5
830.24200	0.2
873.22723	12.2
874.23169	2.9
883.20813	0.8
884.21381	0.4
885.32617	0.6
901.22272	6.1
901.40338	0.3
902.22675	1.8
1047.27588	9.0
1048.27795	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	1046.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95926	51.7
82.68545	47.7
98.83185	43.4
116.92879	94.0
122.39774	48.8
127.93642	40.2
152.99545	44.9
193.73503	51.6
273.03635	50.3
293.21231	100.0
330.71338	55.8
424.24277	44.4
490.10443	46.1
529.35529	46.3
609.94452	43.6
630.53558	45.2
682.99335	45.6
850.16992	54.5
1046.46814	57.2
1067.63489	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.6646
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02956	1.5
76.16888	0.1
78.24539	0.1
78.91917	0.2
78.95915	0.4
83.05010	0.2
87.04513	0.2
88.49981	0.1
89.53663	0.1
96.96010	0.2
97.59358	0.1
109.02966	0.4
123.04436	0.2
125.02491	1.0
137.02431	0.7
141.01738	0.1
151.04037	0.3
164.01190	0.2
165.01953	0.4
171.10274	0.2
225.05515	0.2
271.13284	0.2
289.07214	0.4
291.19547	0.4
309.20840	0.2
323.09897	0.1
327.21906	0.3
327.26944	1.2
329.24664	0.2
339.27011	0.6
351.23068	0.2
353.24771	0.2
363.26776	0.4
365.28482	2.4
366.28903	0.5
379.26712	0.2
381.27960	0.9
382.28305	0.2
383.29675	0.8
384.30121	0.3
409.27420	1.1
427.28629	0.2
437.30493	0.4
439.32092	0.4
467.31723	4.0
468.32166	0.7
469.29480	0.3
471.31363	0.3
483.31311	0.3
483.98755	0.2
485.32715	44.4
486.33035	7.8
499.30618	5.9
500.30969	1.1
501.32208	0.8
503.33771	0.6
541.31464	0.2
543.33636	0.9
544.33667	0.4
545.34778	100.0
546.35132	19.6
559.32800	2.9
560.33026	0.5
1027.48462	0.4
1045.50427	0.5
1046.48743	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.7003
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02960	3.1
78.95889	0.7
83.81898	0.5
87.00890	0.4
101.02526	0.5
108.26209	0.4
118.88618	0.4
119.05112	0.3
125.02467	0.7
152.99620	0.4
293.21423	0.5
294.21637	0.5
309.20660	0.8
355.30264	0.9
365.28497	1.5
369.31735	0.5
381.28162	0.7
391.30115	0.6
393.31818	3.6
394.32150	0.6
397.13513	0.8
407.33612	0.8
409.31375	2.0
411.32553	0.5
415.14105	0.5
423.32788	1.0
437.30615	8.2
438.30978	1.5
451.32214	5.4
452.32388	1.1
455.31641	51.4
456.25989	0.8
456.32007	8.9
469.33218	49.6
470.33563	8.3
515.33734	100.0
516.34106	17.5
529.35303	95.4
530.35614	18.7
530.43781	0.8
1045.64246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.6698
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	1.6
78.95907	0.1
81.03426	0.1
82.34369	0.0
83.05022	0.5
85.06564	0.1
85.49290	0.1
87.00923	0.1
89.02441	0.1
101.02465	0.1
109.06592	0.1
115.00401	0.1
121.06615	0.1
125.02384	0.1
142.99857	0.1
174.01743	0.1
175.02531	0.1
199.07475	0.1
211.13374	0.2
277.21683	0.3
293.21118	0.1
309.20740	0.1
313.25290	0.1
323.23959	0.1
327.26883	0.1
337.25565	0.1
339.26877	0.1
349.25266	0.1
353.24557	0.1
353.28540	0.4
354.29004	0.1
363.27231	0.1
365.28375	0.7
366.28699	0.2
367.30099	0.2
369.31467	0.4
370.31686	0.1
375.26889	0.1
379.26065	0.1
383.29529	0.2
385.27164	0.1
391.30121	1.0
392.30399	0.2
393.27966	0.2
395.29388	0.2
396.29526	0.1
397.13416	0.2
401.30627	0.2
405.27219	0.1
405.31955	0.1
407.29242	0.3
407.34137	0.4
408.33859	0.1
409.27115	0.1
409.31775	0.1
421.31754	0.4
423.32672	1.1
424.33115	0.2
425.34271	0.3
433.31085	0.1
435.28986	0.5
436.29456	0.1
449.30606	0.1
451.32129	6.5
452.32520	1.1
453.30060	1.3
454.30386	0.2
469.33173	49.2
470.33524	9.4
487.34631	0.3
511.34235	0.1
513.32172	3.0
514.32660	0.5
529.35248	100.0
530.35583	19.4
530.52008	0.1
656.44897	0.1
716.03204	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	1041.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02930	0.3
73.30310	0.2
83.01395	0.6
85.02942	0.6
87.00902	0.1
89.02436	1.0
93.03473	0.9
94.03769	0.2
95.01408	0.3
101.02435	0.7
107.01402	2.4
108.02188	5.1
109.01765	0.1
109.02979	3.0
113.02441	0.4
119.01364	0.3
119.05067	0.2
121.02960	2.0
123.00934	0.3
123.04591	0.2
124.01691	0.2
125.02453	0.9
127.07654	0.3
133.02977	2.8
135.00859	0.7
135.04555	1.2
137.02437	0.9
137.06107	0.3
139.11304	0.3
145.02940	0.3
147.01006	0.2
147.04512	0.2
148.01698	1.0
149.02406	0.2
151.00383	8.6
152.01175	7.1
153.01967	2.9
153.09203	0.8
155.07123	0.4
155.10838	0.8
159.04460	0.4
159.52330	0.1
161.02461	7.2
162.02826	0.5
163.00388	2.1
163.04004	0.5
164.01085	0.5
165.01956	0.5
167.03499	0.3
169.01428	0.7
171.04520	0.3
175.00368	0.2
175.04034	0.2
177.01883	0.2
177.05533	0.2
178.98412	0.3
178.99886	3.9
179.03508	0.9
179.10851	0.2
180.00244	0.2
181.05052	0.2
183.04523	0.5
183.10237	0.5
187.04004	0.4
189.05525	0.2
190.99843	0.4
192.00664	0.4
193.01424	0.4
197.11960	0.2
198.03218	0.2
199.03989	0.5
201.05569	0.4
203.03561	0.3
205.05092	0.2
211.03929	1.2
212.04573	0.2
213.01987	0.2
213.05652	0.3
214.02734	0.2
215.03529	0.4
216.04189	0.5
225.11311	0.4
226.02715	1.3
227.03516	1.8
228.04013	0.3
229.05005	0.7
239.03468	0.3
241.05055	0.2
242.02263	0.2
243.02965	6.7
244.03409	0.7
245.01015	0.2
245.04443	1.0
254.02226	1.4
255.02959	20.9
256.03342	1.7
257.04559	1.0
271.02448	40.8
272.02893	4.2
273.03958	0.9
283.02484	4.0
284.03119	0.6
285.04007	4.4
286.04303	0.3
297.04181	0.2
299.02054	1.3
300.02744	75.6
301.03458	41.3
302.03845	3.5
315.07214	6.2
316.07581	0.4
323.07846	0.8
324.07935	0.3
343.04562	0.3
430.08813	0.8
431.09778	1.5
432.10104	0.4
433.11374	0.5
461.10812	0.6
462.11566	0.3
463.08780	100.0
464.09125	12.6
464.18784	0.2
465.09378	0.3
465.19781	1.2
477.10330	18.8
477.19684	4.5
478.10718	2.6
478.20065	0.6
563.14246	0.8
575.11255	0.2
577.15637	3.7
578.15887	0.7
834.06201	0.2
861.62891	0.2
1041.39014	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02962	0.1
79.01897	0.1
81.03463	0.8
85.02962	0.5
93.03455	0.6
95.01367	0.4
97.02942	0.2
98.19893	0.1
99.00912	0.1
101.02457	0.1
107.01431	0.2
107.05035	0.3
108.02185	86.8
109.02997	13.2
110.03307	0.3
113.02457	0.1
117.03396	0.1
117.97440	0.1
119.05090	0.1
121.02964	4.4
123.00902	0.3
123.04546	1.2
125.02439	0.2
133.02974	1.0
134.03731	0.2
135.00888	0.5
135.04514	0.6
136.01645	0.1
137.02432	0.1
137.09708	0.2
145.03033	0.1
151.00409	0.2
151.04028	2.2
152.01166	52.9
153.01953	16.8
154.02290	0.4
155.10812	1.0
157.81184	0.1
161.02509	0.1
163.04019	1.7
164.04448	0.1
165.01985	0.7
177.01866	0.1
179.03627	0.2
181.05089	0.1
181.08707	0.1
185.06084	0.4
189.05528	0.1
195.02989	0.2
199.09792	0.2
207.03050	0.1
211.03970	0.1
213.05544	0.3
217.04924	0.1
225.04005	0.3
227.03494	0.2
234.59264	0.1
255.02960	1.2
256.03342	0.2
257.04663	0.1
283.02472	3.2
284.02960	0.5
285.04028	4.1
286.04398	0.5
287.04745	0.1
297.06149	0.3
323.61160	0.1
375.66458	0.1
419.09811	100.0
420.10150	10.2
420.19302	0.2
430.08899	0.5
431.09836	0.7
432.09995	0.2
449.85684	0.1
473.10651	0.1
554.11169	0.1
619.16724	3.8
620.16962	0.9
621.17310	0.2
630.95386	0.1
880.46002	0.1
961.48230	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	1030.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
71.64947	37.4
101.02425	17.0
114.93414	22.0
116.92869	63.2
126.98893	20.7
133.67607	18.0
137.48810	20.2
152.41177	22.5
248.26263	19.5
293.21283	100.0
294.21573	77.0
295.21738	43.2
336.82281	18.0
352.61600	17.6
430.78979	20.6
519.61694	21.6
577.82538	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02956	0.1
83.01398	0.3
85.02947	0.2
89.02451	0.3
91.01909	0.2
93.03464	0.7
95.01402	0.1
97.02967	0.1
101.02476	0.4
107.01396	0.8
109.02954	0.3
113.02466	0.2
117.03468	0.4
119.05034	0.3
121.02956	0.2
123.00902	0.1
123.04528	0.1
125.02432	0.6
131.05031	0.1
132.02232	0.3
133.02972	0.2
135.00882	0.5
135.04520	0.3
137.02464	0.3
141.19322	0.1
143.05048	0.4
145.02971	0.4
145.06528	0.1
147.04581	0.1
151.00415	1.9
153.01955	0.5
154.04265	0.1
155.10788	0.2
157.06596	0.2
159.04515	0.4
161.04570	0.1
163.00388	0.9
163.03929	0.2
164.01102	0.2
165.01930	0.3
167.05026	0.2
169.01398	0.3
169.06612	0.3
171.04498	0.4
173.02449	0.1
173.06160	0.2
174.03171	0.2
175.03972	0.2
177.01921	0.1
178.99884	0.5
182.03706	0.2
183.04541	1.3
185.02441	0.2
185.06128	0.7
187.03979	1.0
189.05594	0.3
195.04637	0.2
197.06039	0.2
199.03931	0.4
200.04642	0.2
201.05478	0.2
211.03990	1.5
212.04652	0.3
213.05545	0.8
214.02693	0.3
215.03548	0.2
226.02744	0.2
227.03490	41.2
228.03842	3.1
229.05040	2.8
230.05280	0.2
239.03490	0.8
240.04185	0.3
241.04951	0.6
243.03026	0.3
255.02966	64.1
256.03522	8.2
257.04517	2.2
258.04889	0.2
267.02866	0.3
269.04510	0.4
283.02469	21.4
284.03232	64.5
285.03983	52.2
286.04364	3.9
299.05688	0.2
327.05063	0.4
373.18903	0.2
417.08240	100.0
418.08594	10.4
430.09000	5.6
431.09671	1.7
432.09518	0.1
449.10547	0.2
473.10895	0.3
619.16779	20.2
620.16980	3.2
856.10309	0.1
1037.37463	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	0.6
71.56709	0.2
83.01391	0.8
85.02966	0.4
87.00884	0.2
89.02454	0.3
93.03463	1.5
94.03831	0.1
95.01407	0.1
97.98648	0.1
101.02402	0.1
107.01398	2.5
108.02159	0.7
109.02979	1.2
110.03296	0.1
113.02428	0.2
119.01391	0.2
121.02975	1.8
123.00917	0.2
124.01686	0.2
125.02469	0.7
133.02959	0.4
135.00888	0.5
135.04547	1.2
137.02469	0.6
137.12410	0.1
139.04019	0.5
145.02965	0.2
148.01694	0.7
149.02452	0.4
151.00381	9.6
152.00708	0.3
152.88959	0.2
153.01944	0.2
153.09204	0.4
159.04535	0.4
161.02460	1.3
162.02806	0.4
163.00378	2.2
163.01674	0.2
163.03987	0.3
164.01140	0.5
165.01907	0.5
169.01425	0.7
171.04419	0.2
172.92761	0.1
173.04541	0.6
174.03201	0.2
175.00414	0.3
175.04051	0.3
177.01961	0.3
178.99873	3.7
179.03455	0.3
180.00247	0.2
183.04480	0.4
185.02434	0.2
185.06111	0.3
187.03970	0.4
187.07574	0.2
189.05528	0.2
190.99844	0.3
191.05618	4.4
192.00571	0.3
193.01451	0.2
197.24368	0.1
199.04056	0.5
201.01939	0.2
201.05527	0.4
203.03554	0.3
211.04007	0.9
212.04704	0.2
213.05501	0.2
215.03430	0.5
216.04242	0.3
226.02660	1.0
227.03500	2.3
228.04083	0.3
229.01482	0.2
229.05006	0.5
239.03491	0.3
240.04208	0.2
241.01495	0.2
243.02959	6.6
244.03462	0.5
245.04512	1.1
254.02219	1.6
255.02966	18.3
256.03387	1.4
257.04645	0.7
257.08063	0.4
266.02283	0.2
270.01672	0.3
271.02441	37.4
272.02902	3.2
273.03958	0.7
275.09244	0.3
283.02438	4.8
284.02988	0.6
285.04044	4.7
286.04276	0.4
287.05582	1.9
288.06058	0.3
289.07178	0.3
299.01962	1.0
300.02740	74.5
301.03461	39.1
302.03845	2.7
323.07724	0.3
324.08203	0.2
343.04639	0.4
375.11160	0.1
407.07870	0.2
423.06894	0.1
429.82541	0.1
430.09116	0.8
431.09723	2.0
449.09238	0.2
449.15012	1.6
461.11835	0.7
462.11343	0.5
463.08777	100.0
464.09125	10.9
539.09918	0.1
563.14117	3.2
564.14459	0.3
565.12122	0.5
575.12018	0.8
577.15692	0.9
578.15808	0.2
880.83368	0.2
1027.33777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00851	0.1
83.01386	0.3
84.34302	0.1
89.02478	0.1
91.01893	0.2
93.03453	0.8
94.03790	0.1
101.02469	0.1
107.01392	0.9
108.02183	0.1
109.02981	0.3
117.03491	0.2
119.05002	0.4
121.02962	0.2
123.04565	0.2
125.02454	1.3
132.02190	0.4
133.02919	0.1
135.00909	0.4
135.04514	0.2
137.02464	0.5
143.04991	0.4
145.02988	0.4
149.02472	0.2
151.00391	1.4
151.04050	0.2
152.01140	0.2
153.01942	0.6
155.05118	0.1
157.06577	0.3
159.04489	0.6
160.01648	0.3
161.02394	0.3
163.00378	1.0
163.04042	0.4
164.01126	0.3
165.01971	0.4
167.05048	0.2
169.01503	0.2
169.06580	0.3
171.04489	0.4
173.02409	0.2
173.06064	0.3
174.03247	0.2
175.04025	0.4
178.99924	0.3
180.23204	0.1
183.04492	0.9
185.06046	0.9
187.03984	1.2
189.05563	0.4
191.03714	0.1
191.05640	0.5
195.04607	0.3
196.05296	0.2
197.06078	0.3
199.04018	0.5
201.05542	0.3
209.11884	0.2
211.04004	1.4
212.04623	0.3
213.05597	0.9
214.02716	0.2
217.05060	0.2
223.04082	0.2
227.03497	39.6
228.03857	3.3
229.05043	3.7
230.05296	0.3
233.88264	0.1
239.03554	0.8
240.04167	0.4
241.05049	0.8
243.02991	0.2
255.02969	53.9
256.03519	8.1
257.04480	2.3
258.04877	0.2
267.02966	0.4
269.04529	0.4
271.06192	0.4
283.02441	0.2
283.05954	0.2
284.03250	55.4
285.03989	43.8
286.04352	3.6
287.05496	0.2
289.07184	0.3
327.05075	0.9
334.01480	0.1
368.01559	0.1
389.46454	0.2
394.18564	0.1
412.30826	0.1
413.08908	0.2
444.13196	0.1
473.10867	100.0
474.11209	16.2
503.06012	0.2
531.15747	0.2
531.29712	0.5
895.18787	0.2
1025.37512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.2
79.01868	0.1
81.03466	0.8
85.02961	0.6
87.00899	0.1
93.03470	0.6
95.01392	0.4
95.33022	0.1
97.02934	0.1
99.00981	0.1
107.01415	0.1
107.05036	0.3
108.02183	84.2
109.03010	12.1
110.03289	0.5
119.05067	0.2
121.02966	4.4
122.03263	0.1
122.03842	0.1
123.00880	0.4
123.04546	1.1
125.02425	0.3
133.02956	1.0
134.03728	0.3
135.00876	0.4
135.04541	0.6
137.02402	0.2
145.02983	0.1
149.02548	0.1
151.04019	2.1
152.01163	52.1
153.01950	17.1
154.02283	0.7
155.10768	0.7
159.04591	0.1
161.02528	0.1
163.04015	1.8
164.04352	0.1
165.01950	0.8
169.06636	0.1
179.03516	0.1
181.05081	0.2
185.06148	0.4
195.02997	0.2
199.09789	0.2
207.02930	0.1
211.04161	0.1
213.05605	0.2
215.03307	0.1
225.03990	0.2
227.03548	0.2
247.94839	0.1
255.03000	1.1
256.03391	0.2
283.02454	2.3
284.03018	0.3
285.04016	3.5
285.18106	0.1
286.04330	0.5
297.06110	0.3
419.09799	100.0
420.10132	13.0
420.19281	0.3
430.09140	0.3
431.09756	1.4
432.10208	0.3
605.14978	1.9
606.15448	0.6
607.16016	0.2
610.48096	0.1
619.16736	0.5
620.16254	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.6115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01412	0.3
72.99329	0.2
73.02995	0.8
78.95965	0.4
88.98859	0.3
96.96048	0.3
99.92644	0.3
116.92845	1.6
125.02542	0.7
137.02525	0.4
141.59616	0.2
161.02498	0.3
171.10188	0.2
175.06422	0.2
195.13969	0.3
209.11951	0.3
227.76776	0.2
243.88614	0.2
266.24817	0.2
289.06952	0.4
341.24930	0.5
343.26450	1.8
344.18787	0.3
355.26416	1.7
369.24420	1.6
370.24936	0.4
379.26349	0.3
381.28021	6.1
382.28333	0.8
395.25717	0.6
397.27490	4.0
398.27927	0.4
399.29065	2.7
413.27139	0.3
423.25418	0.3
425.26913	6.5
426.27496	1.0
441.29880	0.3
443.28003	51.3
444.28348	7.5
469.29608	0.2
471.31250	0.3
485.33218	1.1
487.34232	2.2
488.34399	0.3
501.31995	0.4
502.32294	0.4
503.30072	100.0
504.30441	14.3
505.30713	0.3
515.30084	6.8
516.30627	1.0
529.31500	0.5
530.32068	0.4
531.33704	1.0
545.34869	0.5
1020.54517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01407	0.3
79.01897	0.3
81.03467	0.8
83.01393	3.7
85.02979	0.3
93.03459	1.5
95.01402	0.6
95.05038	0.6
97.02966	1.0
105.03456	0.4
107.01401	10.6
107.05019	0.4
108.02184	0.7
108.99345	0.3
109.02963	8.9
110.03259	0.3
117.03464	0.3
121.02977	3.6
122.03738	0.3
123.00925	0.2
123.04526	3.7
124.01627	0.3
125.02460	21.8
126.02815	0.4
131.01404	1.1
132.02165	0.3
133.02988	1.2
134.03793	1.1
135.00902	0.7
135.04535	46.6
136.04877	2.0
137.02458	5.6
138.02910	0.3
139.04080	1.0
143.05055	0.4
145.02956	0.6
146.03726	0.3
147.00874	1.4
147.04555	1.3
148.01678	0.5
149.02452	3.7
150.03177	0.4
151.00383	70.2
151.03868	2.0
152.00728	2.7
152.04152	0.2
157.06604	0.2
158.03748	0.2
159.04524	1.3
160.01721	0.3
160.05199	0.3
161.02461	7.1
161.06110	1.3
162.03267	1.0
163.00388	8.7
163.04034	0.7
164.01170	3.4
165.01939	5.9
166.02374	0.2
167.03503	0.3
169.01443	1.0
171.04530	0.9
173.02435	0.6
173.06111	0.7
174.03230	1.0
175.00381	5.4
175.04016	5.6
175.07602	0.3
176.01120	1.6
176.04335	0.3
177.01944	4.4
177.05496	0.3
178.02376	0.3
179.03491	1.2
182.03848	0.2
183.04544	0.5
184.05472	0.2
185.06102	0.8
187.04001	2.0
187.11380	0.2
188.04745	0.7
189.01944	0.5
189.05540	1.1
190.02647	0.3
191.03769	0.4
191.05617	1.1
193.01430	1.6
195.04533	0.4
196.00085	0.4
197.06032	0.8
198.03281	0.5
199.04008	2.6
199.07793	0.2
200.04790	0.3
201.01897	1.5
201.05592	1.0
202.02687	0.4
202.06279	0.6
202.99846	0.7
203.03555	1.0
203.07176	2.0
204.00548	0.5
204.04132	0.3
205.01431	1.5
205.04991	1.9
209.06120	0.4
211.03990	0.8
212.04741	0.7
213.02290	0.2
213.05531	1.8
214.02760	0.4
215.03568	1.3
216.04286	0.5
217.01364	0.6
217.05037	2.9
219.03017	0.3
219.06537	0.4
221.08192	0.4
223.03926	0.4
224.04749	0.3
225.05576	0.7
226.02602	0.2
227.03505	1.2
227.07141	0.6
228.04149	0.7
229.01434	0.3
229.05017	1.6
231.02998	0.5
237.05573	0.3
239.03583	0.4
239.07181	0.2
240.04199	0.8
241.05093	2.4
242.02245	0.6
242.05508	0.3
243.03024	2.0
243.06630	0.5
244.03595	0.3
245.04562	1.3
245.08177	3.8
247.06111	0.5
253.05124	0.5
254.05734	0.2
255.02972	2.1
255.06403	0.4
256.03699	1.4
257.04520	2.5
258.05096	0.5
259.06009	0.3
265.04953	0.4
267.03033	0.4
268.03528	0.3
269.04538	1.7
271.02460	0.3
271.06094	0.4
272.03244	0.2
273.03989	0.4
279.02841	0.3
281.04532	1.4
282.01550	0.3
282.05008	0.4
283.02438	0.8
283.06030	1.0
284.03275	1.1
285.04034	24.4
286.04431	2.7
287.05594	100.0
288.02689	0.4
288.05923	7.9
289.07159	15.3
290.07480	0.9
291.06332	0.2
295.06177	0.2
297.04111	1.4
298.04752	0.3
299.05679	0.6
300.02777	0.2
301.03513	0.6
301.06982	0.2
305.04697	0.2
307.06094	3.5
309.04050	1.3
311.05582	0.7
319.06085	0.8
320.06677	0.5
321.07654	0.2
323.05588	0.3
324.02783	0.2
325.03363	0.4
326.04297	0.3
327.04953	2.1
328.05563	0.3
329.06689	0.5
347.05618	0.6
359.05521	0.4
360.06195	0.3
361.07092	0.4
363.08716	0.4
371.05518	0.3
375.05304	0.4
381.09717	0.3
387.04987	1.5
388.05591	0.9
389.06473	0.3
391.08859	0.2
407.07678	6.6
408.08130	0.9
409.09372	0.3
415.04514	0.9
423.07199	13.0
424.07590	1.9
430.06989	0.2
434.06601	0.5
435.07135	0.6
447.07227	1.4
448.09204	0.4
449.10349	19.7
450.10504	2.8
452.07465	3.2
453.08185	2.3
461.11118	0.4
465.08218	0.3
471.10907	0.9
513.11902	0.2
531.12457	0.6
539.09747	6.6
540.10413	1.0
557.10742	1.4
575.11963	50.9
576.12250	9.2
634.92145	0.2
667.76178	0.2
1025.39404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.7061
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05038	0.1
71.16656	0.3
73.02953	1.2
78.95921	0.1
83.05040	0.8
83.19697	0.1
96.96007	0.2
99.92629	0.1
109.06567	0.2
115.92110	0.2
116.92886	0.1
138.06989	0.1
152.99411	0.1
175.88086	0.1
209.11809	0.4
210.85727	0.1
284.50522	0.1
296.04053	0.1
309.18512	0.2
327.19659	2.1
328.20074	0.3
365.28778	0.2
369.24265	1.1
370.24704	0.2
375.27103	0.2
379.26779	0.1
387.21756	1.9
388.22104	0.3
391.30096	2.2
392.30405	0.4
405.28000	0.4
407.29483	0.7
408.29883	0.2
409.31427	0.2
425.27029	0.5
429.26291	0.7
435.29028	3.7
436.29337	0.8
439.76923	0.1
451.32230	1.1
452.32474	0.3
453.30078	38.1
454.30374	6.6
455.28552	0.2
467.31436	0.3
471.35391	1.1
472.35101	0.2
485.32913	3.8
486.33356	0.7
495.30902	0.1
511.34207	1.3
512.34454	0.2
513.32178	26.1
514.32501	5.4
514.40540	0.2
527.34119	0.2
528.34467	0.2
545.34760	100.0
546.35101	19.3
560.33527	0.2
875.78229	0.1
955.94202	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	1015.6174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	0.2
72.99310	5.4
74.86044	0.1
78.95897	0.3
79.63285	0.1
80.91685	0.2
83.05032	0.1
85.02947	0.2
87.04543	0.1
96.96027	0.7
96.96955	0.1
97.02918	0.1
98.20572	0.1
101.99615	0.1
116.92890	0.1
125.02454	0.2
137.02463	0.1
185.13229	0.1
191.42863	0.1
197.11797	0.1
289.07086	0.1
309.20779	0.3
325.19977	0.1
327.21649	0.2
347.27548	0.2
359.23776	0.1
363.26883	0.2
365.28488	0.2
375.26907	0.2
391.26535	0.7
392.26776	0.1
397.13586	0.3
411.28723	0.2
423.28970	0.5
439.28482	0.4
453.29956	0.7
465.26617	0.2
471.31131	3.1
472.31824	0.7
483.26965	0.8
487.34131	0.7
488.34747	0.2
501.32202	25.1
502.26215	0.1
502.32498	5.2
513.28528	100.0
514.28882	19.5
547.36273	1.2
548.36908	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.6906
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01411	0.4
73.02949	0.9
78.95925	0.4
97.02967	0.3
98.20785	0.5
99.92639	0.4
101.02474	0.5
109.75731	0.3
116.92864	3.3
125.02472	0.6
134.33157	0.3
137.02448	0.5
152.99693	0.3
159.99117	0.3
161.02512	0.4
178.96591	0.3
194.13152	0.3
265.63489	0.3
277.21741	0.7
283.17032	0.7
289.21613	0.7
291.19418	0.4
301.18057	6.1
302.18494	0.7
315.19666	1.0
327.19733	0.4
341.21283	2.0
341.82462	0.4
361.20212	8.7
362.20551	1.1
369.24185	1.5
371.25650	0.4
375.21820	0.5
383.25937	3.5
384.26190	0.7
387.21741	0.4
393.27982	0.6
399.28992	1.3
401.23294	2.2
402.23904	0.5
407.29758	0.7
409.31299	0.8
423.32648	23.2
424.33032	4.3
425.34253	1.1
427.28561	0.5
429.26361	1.3
443.27985	3.5
444.28320	0.4
465.10138	0.5
467.31641	0.7
469.33221	46.4
470.33582	8.5
471.34760	0.8
485.32663	3.2
486.33130	0.7
487.30780	0.4
509.12173	1.0
527.13385	1.7
528.13684	0.6
543.33234	0.7
544.33807	0.5
545.15302	5.5
545.34778	100.0
546.14886	1.3
546.35132	21.0
919.32574	0.3
1015.49121	0.5
1045.76184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01407	4.1
71.59135	0.9
73.02959	0.8
73.30202	0.8
73.68492	0.8
77.03962	1.8
77.50845	0.9
81.03451	6.2
83.01389	17.3
85.02944	1.3
88.98792	1.2
89.02450	2.1
93.03477	5.0
93.03946	0.8
95.01393	3.2
95.05029	5.2
96.96012	0.9
97.02946	5.8
98.09414	0.8
99.04505	4.5
101.02451	3.1
107.05064	1.8
108.02161	1.3
108.39082	0.9
109.02966	10.9
111.00901	0.9
111.04537	1.6
113.02472	1.4
120.02155	1.2
120.97617	0.9
121.02965	10.6
122.03741	2.6
123.04559	4.5
124.01674	4.1
125.02464	93.4
126.02818	4.1
131.05112	1.0
133.02928	2.4
133.35690	1.1
135.04529	4.6
137.02460	75.7
138.02809	3.2
139.03984	3.6
146.03755	24.8
147.04492	3.5
149.02475	2.2
149.06000	1.1
151.04007	7.5
158.03746	1.2
159.04529	13.5
160.05334	4.9
161.02434	3.4
161.06071	3.0
162.03101	0.8
163.00389	2.4
163.03922	1.2
164.01170	21.7
165.01947	52.2
166.02290	1.9
167.03503	26.0
168.03906	1.2
171.04463	1.2
172.05267	5.4
173.06068	5.1
174.03233	11.6
174.06880	3.8
175.03960	6.2
176.04771	3.1
177.01932	10.5
179.03531	12.8
181.05136	1.0
184.05133	1.2
185.06039	3.2
186.06758	2.6
187.04034	7.1
187.07645	1.1
188.04756	9.5
189.05539	2.6
190.02722	0.9
191.03488	2.8
195.13850	2.9
196.05272	1.6
197.06027	1.8
198.06779	1.1
199.03955	1.4
199.07664	1.8
200.04784	6.8
201.05524	6.8
202.06270	1.9
204.04271	7.0
209.06105	2.2
210.06824	1.8
211.03963	2.7
211.07536	1.5
211.13394	1.6
212.04774	7.4
213.05527	2.1
214.06161	1.1
218.05698	1.3
223.07591	1.9
223.13373	1.5
224.04738	1.6
225.05598	6.1
225.12776	1.4
226.06271	3.6
227.07103	1.9
228.07805	1.5
234.06825	1.2
237.05487	2.1
238.06194	1.0
239.07111	1.0
240.07751	1.1
243.06715	0.9
243.14052	2.1
244.07260	2.5
245.08116	2.1
251.07080	3.4
252.07858	3.9
255.13982	3.1
265.08722	2.1
266.09201	1.1
268.07352	3.7
269.07977	1.8
269.11758	8.1
269.14902	1.5
270.08951	2.7
270.12329	1.7
271.13379	38.8
272.13745	3.0
276.07788	1.0
279.06534	1.2
281.08441	1.1
281.11810	1.9
283.13376	5.6
285.14874	4.7
287.05539	1.5
287.12930	2.6
288.06329	1.2
289.07227	3.2
289.14493	13.5
293.08200	1.2
293.21158	5.0
294.08981	5.2
295.09244	1.1
295.13403	3.8
297.14923	3.9
298.15317	1.0
299.12921	10.8
300.13293	1.8
301.14377	3.2
303.15997	1.2
309.15018	2.6
311.12781	1.0
313.11130	1.8
313.14459	19.3
314.14871	1.4
315.15982	3.5
317.13931	6.0
318.14163	1.3
320.06683	1.4
325.14456	14.7
325.18054	1.1
326.14838	1.8
327.16006	1.5
331.15652	4.5
335.16507	4.0
337.14355	9.8
338.14893	1.3
343.15399	6.1
351.15909	1.9
353.17508	2.2
355.15411	4.2
361.14328	1.1
369.17209	1.3
377.17599	4.5
379.15424	3.2
393.17029	3.8
395.18573	6.4
396.18805	1.3
399.17590	0.9
401.17593	1.8
413.19598	1.8
419.18610	14.7
420.18832	2.3
437.19806	7.9
438.20032	1.7
445.16370	1.3
455.20862	1.1
463.17712	4.5
481.18344	1.0
487.33911	1.7
545.34430	1.5
549.22430	1.3
553.22552	1.4
567.24390	4.7
591.24939	1.3
592.24902	1.0
673.28735	4.8
674.29779	1.2
691.29852	1.4
699.26978	1.9
717.27747	3.7
735.28345	1.3
843.45923	24.3
844.46143	6.3
855.45386	9.8
856.45679	4.8
867.46014	9.6
868.45795	3.2
873.46802	11.9
874.46783	4.3
909.46759	1.5
949.49841	15.8
950.49835	5.3
967.48889	4.0
968.49951	1.9
975.48260	6.4
976.47797	2.2
993.48853	100.0
994.49170	46.4
996.84406	1.0
1011.49835	98.4
1012.50250	45.9
1012.71808	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	1007.6848
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	0.1
83.05007	0.1
84.86710	0.0
87.04517	0.1
88.98820	0.3
105.21730	0.1
125.02484	0.1
126.23317	0.1
135.04533	0.1
137.02405	0.1
168.31036	0.1
273.54663	0.1
289.07031	0.1
307.24225	0.1
385.23959	0.1
389.28369	0.1
401.27106	0.1
405.27875	0.1
406.28687	0.1
407.29535	0.3
425.30606	0.1
441.26517	0.3
442.26550	0.4
443.27588	0.4
444.28156	0.1
445.26169	0.2
446.62476	0.1
455.31628	0.1
456.31866	0.1
469.29709	0.2
470.29578	0.1
471.30365	0.2
472.30249	0.1
485.32635	0.1
499.30838	0.2
500.31299	0.4
501.32452	2.8
502.32828	4.5
503.33719	100.0
504.34076	20.7
505.34552	1.7
506.34933	0.3
507.35321	0.1
1007.68970	0.3
1008.68292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6849
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	0.1
71.05013	0.1
73.02946	0.1
78.95899	0.1
83.05028	0.3
85.02943	0.1
87.04519	1.9
93.03433	0.1
98.19908	0.1
100.62985	0.0
108.10228	0.0
109.02969	0.1
109.06557	0.1
119.05074	0.0
123.08157	0.1
125.02454	0.2
133.06642	0.0
137.02422	0.1
151.00385	0.1
161.02383	0.0
165.01906	0.1
171.10251	0.0
177.02032	0.1
191.05577	0.1
209.11870	0.1
211.13326	0.1
271.06403	0.1
287.05283	0.1
289.06958	0.0
307.24261	0.1
353.28329	0.1
365.28522	0.3
371.29636	0.2
379.29926	0.2
381.28293	0.2
383.29694	0.5
384.30008	0.1
391.25510	0.1
394.28763	0.1
395.29590	0.1
397.31302	0.3
399.29071	0.2
400.29413	0.1
401.30624	0.1
407.28979	0.1
409.30920	0.1
413.30927	0.2
414.30829	0.1
415.32590	0.1
425.34869	0.1
427.32324	0.9
428.32413	0.1
441.34140	0.3
442.33862	0.1
443.31644	0.6
444.91901	0.1
445.33044	0.1
455.31537	0.1
457.33069	0.2
458.33124	0.1
459.34949	0.0
469.33380	0.1
470.33667	0.1
471.31577	0.1
485.32645	0.1
486.33807	0.1
487.34296	3.7
488.34485	0.6
501.32227	2.7
502.32520	1.5
502.38278	0.0
503.33298	2.2
504.33853	2.6
505.35275	100.0
506.35617	18.0
895.88068	0.1
945.41614	0.1
1007.45422	0.1
1008.41675	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	1005.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03455	0.4
83.01395	1.3
85.02929	0.2
93.03452	0.9
95.01392	0.2
95.05045	0.3
97.02952	0.5
101.17442	0.2
107.01429	0.4
108.02184	0.7
109.02953	0.5
117.03471	0.5
121.02979	1.2
123.04537	0.3
124.01684	0.4
125.02464	3.1
131.05058	0.2
135.00833	0.3
135.04527	0.8
137.02455	5.5
139.04030	0.2
141.07138	0.2
143.04990	0.4
145.02980	0.2
146.03757	0.8
149.05995	0.2
151.00380	1.0
151.04001	0.5
152.01198	0.3
153.01968	0.4
154.04248	0.8
155.17578	0.2
157.06506	0.3
159.04541	0.8
161.02451	0.4
161.06056	0.2
163.00423	0.5
164.01201	1.6
165.01950	3.8
165.88902	0.2
167.03528	2.8
167.04929	0.3
169.06606	1.9
171.04581	0.5
173.02405	0.4
173.06108	1.2
174.03169	0.3
174.06873	0.3
175.03967	0.5
175.07655	1.4
176.04802	0.4
177.01924	0.6
177.05554	0.2
179.03485	1.0
179.10855	0.2
183.04532	1.1
185.06088	1.6
186.06642	0.2
187.03987	1.1
187.07686	0.3
188.04932	0.3
189.05598	1.4
189.07016	0.2
189.09267	0.3
190.02632	0.3
191.03595	0.2
195.04459	0.4
197.06052	0.3
198.03177	0.3
199.03949	0.5
199.07553	0.2
200.04733	0.5
201.05528	0.4
201.09111	0.4
203.07147	0.8
205.08745	0.3
206.72340	0.2
211.03983	1.7
212.04858	0.3
213.05545	2.2
214.02689	0.8
215.03616	0.5
217.08649	1.8
227.03476	2.9
228.03963	0.4
229.05045	1.2
229.08694	1.5
239.03493	0.7
241.05040	0.9
241.08685	0.2
243.03072	1.2
247.09750	0.4
255.02974	26.5
256.03357	2.7
257.04492	2.2
283.02472	55.2
284.02963	7.4
285.04031	75.2
286.04382	6.2
294.08981	0.2
297.11252	0.3
299.12830	0.4
323.12741	1.0
327.05051	0.2
341.10318	0.4
367.11874	5.4
368.12170	0.7
385.12845	5.3
386.13245	0.6
399.13013	1.6
400.12991	0.2
419.09851	0.7
430.09033	12.7
431.09784	19.5
432.10071	2.2
445.79559	0.2
449.80164	0.2
473.10818	1.6
474.11090	0.3
619.16785	100.0
620.17139	18.8
620.27972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6368
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74243	0.2
70.74578	0.2
70.89376	0.1
71.01384	0.3
73.92796	0.1
78.95946	0.1
82.67998	0.1
83.05052	0.1
87.04519	0.5
89.02454	0.2
101.02454	0.1
125.02470	0.2
128.56914	0.1
151.07657	0.2
180.86951	0.1
190.76198	0.1
207.10439	0.1
209.11768	0.7
227.12904	0.2
289.17847	0.2
307.19104	0.3
307.24319	0.4
309.20819	0.1
325.25275	0.1
331.01846	0.1
337.25217	0.1
363.27005	0.1
377.28534	0.1
389.28439	0.2
393.27371	0.2
397.13528	0.4
405.27905	0.4
406.28439	0.2
407.29395	0.4
415.15009	0.1
423.29001	0.2
425.30554	0.4
439.28394	0.1
441.26343	1.0
443.32306	0.1
451.28491	0.5
452.28979	0.3
453.30020	1.9
454.30334	0.3
457.33252	0.4
469.29596	5.6
470.29968	2.3
471.31100	19.1
472.31427	3.7
472.38287	0.1
499.30612	100.0
500.30939	44.3
501.31931	57.6
502.32498	8.7
545.34302	0.1
746.61530	0.1
818.58710	0.1
965.50092	0.1
1001.47375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6379
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	0.5
71.01591	0.2
72.99201	0.5
72.99580	0.2
73.02811	0.2
78.95828	0.3
81.20773	0.2
85.02804	0.7
89.02332	0.5
89.46832	0.2
93.55155	0.2
96.95856	0.8
96.96870	0.2
97.02859	0.2
101.02293	0.6
104.25201	0.2
108.80435	0.2
113.02351	0.3
116.92708	0.5
125.02301	0.7
137.02286	0.4
171.10295	1.7
179.05533	0.3
194.02336	0.2
195.13838	0.4
211.13155	0.3
272.48816	0.3
275.19843	0.2
289.79269	0.2
293.21231	2.5
294.21451	0.5
309.20490	0.8
327.18155	0.3
327.21759	5.0
328.21982	0.6
357.57825	0.2
357.62408	0.2
377.28314	0.3
397.13510	1.7
409.31006	0.6
415.14502	0.8
416.14722	0.3
437.30627	1.8
438.31070	0.3
441.30478	1.1
455.31668	43.7
456.32013	8.0
467.28006	1.4
469.33594	0.3
484.31290	0.4
485.32758	100.0
486.33127	19.6
487.34207	1.8
488.34393	0.4
497.29233	0.9
514.28900	0.3
515.30078	71.8
516.30432	13.5
522.07922	0.3
545.44171	0.2
691.36267	0.5
707.35315	0.5
725.37164	0.3
817.84991	0.2
876.10339	0.2
982.39307	0.3
1001.55750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	0.8
69.07051	1.7
71.04998	0.3
79.05481	6.2
81.03408	0.7
81.06567	0.4
81.07043	6.5
83.04969	1.6
83.08599	1.0
85.02885	1.2
91.05460	3.9
91.05997	0.3
93.03379	1.0
93.07028	5.4
95.04944	1.1
95.08588	5.8
95.09150	0.4
97.02867	1.0
97.06513	0.5
97.10163	0.7
98.21605	0.4
99.08061	0.2
103.05486	0.4
105.04512	0.3
105.07022	2.8
107.04938	1.1
107.08582	3.2
109.02863	0.2
109.06500	0.5
109.10155	2.0
111.04428	5.7
111.08096	0.3
115.05434	0.8
117.07004	1.3
119.04926	0.2
119.08554	1.4
121.02845	1.3
121.06490	0.6
121.10104	2.2
122.55651	0.2
123.04420	3.8
123.08072	0.3
123.11691	0.7
127.03882	1.4
128.06224	0.5
129.07010	0.6
131.04929	0.9
131.05862	0.3
131.08562	1.3
133.06477	0.5
133.10112	1.2
135.04382	2.5
135.08049	0.3
135.11682	1.1
137.05937	0.9
137.09616	0.4
139.03879	100.0
140.04216	1.6
141.05438	1.1
141.06987	0.7
143.08563	0.5
145.06464	0.9
145.10088	0.9
147.04402	0.8
147.11647	1.0
149.02357	0.3
149.05960	2.8
149.09570	0.2
149.13249	0.7
151.03876	7.4
152.06049	0.3
153.01935	0.3
153.05560	1.4
153.06790	1.1
154.96371	0.2
155.04852	0.3
155.08525	0.4
157.06465	1.2
157.10066	0.2
159.04416	0.5
159.08029	0.2
159.11687	0.6
161.05965	5.6
161.13242	0.7
163.03880	35.2
163.07549	0.8
163.14865	0.4
164.04234	0.7
165.05435	1.2
165.06967	0.8
167.03357	0.2
167.07133	0.2
167.08521	0.9
169.06462	0.7
169.10034	0.3
171.08031	0.5
171.11714	0.4
173.05959	11.2
173.13275	0.6
174.06538	0.2
175.03923	1.2
175.07523	2.0
177.05437	5.3
179.03362	1.5
179.06981	0.3
179.08508	0.5
181.04930	5.2
181.06462	1.6
183.07996	0.7
185.05974	1.1
186.06769	0.2
187.03894	1.6
187.07516	5.7
187.14828	0.3
189.05440	2.5
189.16487	0.3
191.03343	0.5
191.07005	0.8
193.04886	0.5
193.06479	0.5
195.07910	1.3
197.05907	1.8
197.09576	0.4
198.06622	0.5
199.07506	5.2
199.14767	0.3
200.04671	0.3
200.07994	0.2
201.05417	1.7
201.09064	2.0
203.03351	0.4
203.06966	0.7
203.08696	0.3
205.04913	10.4
206.05205	0.3
207.08066	0.4
209.05986	0.4
209.09529	0.3
210.06714	0.3
211.07504	2.8
212.08247	0.3
213.05476	1.6
213.09061	2.3
215.06999	1.5
215.10637	0.3
217.04942	1.0
219.06409	0.4
221.09561	0.2
223.07532	1.5
223.11089	0.2
225.05429	0.4
225.09045	1.2
226.06245	0.4
227.07013	1.2
227.10593	0.6
227.26875	0.2
229.04955	2.4
229.08546	0.5
231.06221	0.3
233.09688	0.2
235.05840	2.2
237.05582	0.4
237.09035	0.6
239.06908	0.4
239.10632	0.7
241.04893	0.4
241.08542	0.3
241.12257	0.2
243.21062	0.6
247.05869	2.2
249.09056	0.6
251.06979	0.3
251.10719	0.4
251.14278	0.4
253.12296	0.3
259.20499	0.7
261.08997	0.3
261.22144	1.2
265.06873	1.3
265.12033	0.3
267.06491	0.4
267.13745	0.9
269.15390	0.8
271.05905	0.4
273.12354	0.2
277.12253	0.3
279.06506	0.3
279.13779	0.6
281.15234	0.6
283.08249	4.7
285.07565	0.3
285.14868	0.8
286.05457	0.2
287.16364	0.6
289.08356	0.3
291.13882	0.5
293.08060	0.3
293.15250	0.5
295.05942	1.8
295.13211	0.2
297.07544	0.5
297.14731	1.0
299.16275	0.7
301.09134	9.6
301.14285	0.4
302.09595	0.3
303.06232	0.3
305.08041	0.4
308.06696	0.7
309.07452	1.0
309.14902	1.0
311.16507	0.4
313.06909	0.7
313.14273	0.5
315.15860	5.0
317.08005	0.3
319.05872	0.4
321.07474	0.7
321.14807	0.5
322.07986	0.3
323.09113	0.4
323.16190	0.5
325.14166	0.7
327.15851	2.7
333.07620	0.3
333.24295	0.5
335.09137	1.1
335.25742	13.5
336.26056	0.7
337.27286	0.3
339.15833	2.7
341.17395	0.6
359.18433	2.4
371.18549	0.4
373.20190	0.3
383.18472	0.3
389.19534	2.7
395.18338	0.3
399.17688	0.3
399.25549	0.4
401.19513	1.2
409.16312	0.3
413.19336	0.7
419.19775	0.2
421.16431	2.6
429.16629	0.6
445.16235	0.3
447.17960	5.5
463.17130	0.5
465.19055	3.6
465.66022	0.2
466.19000	0.4
477.18024	0.3
483.19574	0.2
485.19513	0.4
489.18799	0.5
495.19989	0.5
503.20291	0.3
513.19037	0.5
521.21399	1.4
531.19598	0.5
539.22485	2.1
557.36456	0.3
573.21271	0.4
599.37146	0.3
619.39459	0.9
631.39685	0.4
637.39563	0.4
647.39026	0.5
649.40765	2.7
661.41193	1.4
667.41003	0.4
673.40906	1.5
677.39636	0.6
679.41376	0.9
691.41327	0.9
755.40759	0.3
773.41724	0.9
781.42773	0.3
799.44250	3.6
817.45044	2.4
865.44031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	0.5
69.07051	1.6
71.01359	0.3
71.04980	0.3
77.03954	0.2
79.01823	0.2
79.05483	5.5
79.05948	0.3
81.03416	0.6
81.07047	6.8
81.15408	0.1
83.04980	1.3
83.08607	1.0
85.02898	0.9
85.06538	0.3
91.05467	3.6
93.03393	0.9
93.07031	5.5
95.04945	1.3
95.08594	5.5
96.08904	0.2
97.02891	0.9
97.06524	0.4
97.10167	0.4
99.08062	0.1
103.05453	0.5
105.03369	0.2
105.04537	0.2
105.07021	2.2
107.04957	0.9
107.08578	2.7
109.02879	0.4
109.06499	0.4
109.10133	2.4
111.00797	0.4
111.04425	5.2
111.08044	0.2
115.05378	0.7
117.06996	1.3
119.04919	0.2
119.08566	1.6
121.02865	1.1
121.06507	0.7
121.10123	2.2
123.04414	3.9
123.08054	0.3
123.11707	0.6
125.09606	0.4
127.03903	1.4
128.06187	0.4
129.06984	0.6
131.04942	0.7
131.08557	1.4
133.06483	0.4
133.10117	1.0
135.04408	1.9
135.11681	1.3
137.05998	0.6
137.09557	0.2
137.13240	0.2
139.03882	100.0
140.04228	1.3
141.05446	0.8
141.06969	0.6
143.04904	0.2
143.08517	0.4
144.05742	0.1
145.06453	0.9
145.10115	0.9
147.04349	0.9
147.11665	0.8
149.02304	0.3
149.05962	2.3
149.09612	0.2
149.13235	0.8
151.03885	6.5
153.01724	0.2
153.05571	1.1
153.06760	1.0
155.04861	0.3
155.08510	0.5
157.06447	1.0
157.10081	0.2
159.04413	0.4
159.08017	0.3
159.11667	0.8
160.05159	0.3
161.05968	4.5
161.13232	0.6
163.03882	29.4
163.07547	0.5
163.14778	0.3
164.04181	0.6
165.05457	1.1
165.06946	0.5
167.03438	0.3
167.08556	0.6
169.05042	0.2
169.06473	0.6
169.10056	0.2
171.08029	0.3
171.11617	0.2
173.05960	7.9
173.13226	0.7
174.06372	0.2
175.03918	0.9
175.07515	1.7
175.14832	0.3
176.04640	0.3
177.05453	5.0
177.06992	0.3
179.03352	1.1
179.06964	0.4
179.08569	0.3
181.03334	0.3
181.04919	4.6
181.06468	1.2
181.10059	0.2
183.07964	0.7
185.05945	0.9
186.06718	0.2
187.03925	1.5
187.07516	5.3
187.14865	0.2
189.05450	2.3
189.09061	0.3
189.12708	0.1
191.03429	0.2
191.07021	0.6
191.08546	0.2
193.04926	0.5
193.06454	0.3
193.08372	0.2
194.07420	0.2
195.06514	0.2
195.08037	0.9
197.05968	1.5
197.09579	0.4
198.06668	0.2
199.07524	3.9
200.04605	0.3
200.08188	0.2
201.05450	2.3
201.09071	1.7
201.16289	0.1
203.03336	0.2
203.06950	0.4
205.04936	9.5
207.08052	0.4
209.05946	0.4
209.09674	0.5
210.06711	0.4
211.07524	2.7
212.08165	0.2
213.05489	1.5
213.09059	2.2
214.06100	0.2
215.06927	1.0
217.04950	1.0
217.08437	0.3
219.06371	0.3
220.08716	0.2
221.09578	0.3
223.07533	1.3
223.11244	0.2
224.08287	0.2
225.09106	1.0
226.06180	0.3
227.06976	1.1
227.10588	0.5
229.04947	2.0
229.08565	0.4
231.06323	0.2
231.08246	0.2
233.09676	0.2
235.05879	1.9
235.11092	0.3
237.09154	0.8
237.12563	0.2
238.09775	0.2
239.06915	0.4
239.10570	0.5
241.04800	0.4
241.08664	0.3
241.12161	0.1
241.19620	0.2
243.13800	0.2
243.21071	0.4
247.05861	2.0
249.09044	0.3
249.12851	0.2
250.09798	0.2
251.07010	0.4
251.10612	0.4
251.14185	0.2
253.04881	0.1
253.12189	0.2
255.06383	0.2
257.18973	0.2
259.05933	0.2
259.20599	1.0
261.09247	0.2
261.12524	0.2
261.22119	1.7
263.10376	0.2
263.12778	0.2
265.06982	1.2
265.12079	0.3
267.06488	0.2
267.10162	0.2
267.13699	0.5
269.15262	0.6
271.05853	0.2
275.07037	0.2
275.10437	0.2
277.12122	0.2
278.12979	0.1
279.06436	0.5
279.13718	0.5
281.15250	0.5
283.08173	4.9
283.12936	0.3
285.07556	0.3
285.14893	0.6
287.16339	0.5
289.08411	0.1
289.14377	0.2
291.13733	0.3
293.08121	0.3
293.15240	0.4
295.05981	1.7
295.13232	0.2
297.07419	0.3
297.14850	0.9
299.16336	0.4
301.09140	9.9
302.09454	0.2
303.06503	0.4
305.07980	0.4
305.15137	0.2
307.08179	0.2
308.06610	0.7
309.07571	1.0
309.14725	0.5
311.09073	0.3
311.16254	0.4
313.06985	1.0
313.14359	0.3
315.15857	4.3
316.16129	0.2
317.07861	0.3
317.24536	0.2
319.05914	0.2
321.07471	1.0
321.14734	0.4
322.08276	0.2
323.09082	0.3
323.16339	0.4
325.09238	0.2
325.14215	0.6
327.15881	2.7
327.19647	0.1
329.17462	0.2
331.09415	0.2
333.07465	0.3
333.16977	0.2
333.24042	0.6
335.09030	0.6
335.25751	15.3
336.26047	0.4
337.27216	0.3
339.15894	2.3
341.17316	0.3
345.07236	0.2
347.09048	0.2
353.17444	0.2
353.26703	0.2
357.16724	0.3
359.18546	1.3
363.15741	0.3
371.18311	0.4
373.20023	0.2
381.16852	0.2
383.18228	0.2
389.19519	2.6
399.17795	0.4
399.25156	0.4
401.19586	1.1
411.16110	0.2
413.19528	0.6
419.19650	0.3
421.16370	2.5
422.16589	0.2
429.16690	0.4
431.20667	0.2
435.17764	0.2
437.19604	0.3
445.16129	0.3
447.18002	4.7
463.16968	0.2
465.12872	0.2
465.19086	3.4
471.18018	0.2
477.18762	0.2
489.18753	0.3
495.19675	0.6
503.20438	0.3
513.19165	0.4
521.21796	1.3
539.22650	2.5
555.20428	0.2
557.23407	0.4
557.35791	0.4
563.22028	0.2
575.36438	0.2
581.35828	0.2
591.10779	0.1
591.21545	0.1
599.36627	0.4
611.36871	0.2
619.40033	0.6
621.41046	0.2
631.39471	0.3
643.39465	0.2
647.39154	0.3
649.40894	3.3
650.41266	0.2
655.39301	0.2
661.40948	1.7
667.41669	0.4
673.41003	1.3
677.40179	0.9
679.41632	1.2
691.42206	1.0
755.40814	0.2
773.42480	1.2
781.43292	0.7
799.44092	3.7
817.44946	2.7
818.44354	0.2
823.42908	0.4
839.41803	0.2
865.44696	0.2
998.41339	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00060	0.2
69.03413	0.6
69.07054	1.9
71.01342	0.3
71.04990	0.3
71.62520	0.2
79.01829	0.2
79.05475	5.4
81.03401	0.5
81.07040	6.8
83.04964	1.3
83.08603	0.9
85.02885	0.6
85.06036	0.1
85.06535	0.4
91.05462	3.8
93.03375	1.0
93.07026	5.2
95.04945	1.2
95.08587	5.3
97.02874	1.2
97.06526	0.5
97.10147	0.4
103.05444	0.5
105.03368	0.3
105.06361	0.2
105.07005	2.6
107.04941	1.1
107.08574	2.6
109.02863	0.4
109.06516	0.4
109.10130	2.1
109.86981	0.1
111.00761	0.3
111.04418	5.3
111.05199	0.3
115.03217	0.1
115.04710	0.2
115.05417	0.8
117.06998	1.1
119.04954	0.2
119.08555	1.6
121.02841	1.2
121.06486	0.6
121.10126	2.0
123.04396	3.6
123.08085	0.3
123.11682	0.6
125.09599	0.6
127.03910	1.1
128.06223	0.3
129.06982	0.7
131.04898	0.9
131.08524	1.3
133.06433	0.4
133.10086	1.2
135.04388	2.0
135.08047	0.2
135.11647	1.7
137.05948	0.7
137.09573	0.2
137.13225	0.2
139.03874	100.0
140.04208	1.6
141.05405	1.0
141.06944	0.7
143.04872	0.4
143.08525	0.6
145.06445	0.9
145.10115	1.0
147.04361	1.1
147.08043	0.2
147.11688	0.8
149.02335	0.2
149.05957	2.3
149.13269	0.7
151.03880	6.6
151.05107	0.3
153.05434	1.1
153.06941	0.8
155.03412	0.2
155.04881	0.2
155.08534	0.6
157.06519	1.1
157.10126	0.3
159.04387	0.5
159.08081	0.2
159.11630	0.5
160.05148	0.3
161.05956	4.6
161.13188	0.6
163.03873	32.4
163.07500	0.8
163.14749	0.2
164.04181	0.6
165.05428	1.1
165.06956	0.5
167.03362	0.2
167.08521	0.7
169.05005	0.3
169.06488	0.6
169.10181	0.3
171.08040	0.5
171.11656	0.3
173.05954	9.4
173.13232	0.5
175.03839	0.9
175.07501	1.6
175.14767	0.3
176.04686	0.4
177.05440	4.6
179.03378	1.7
179.08513	0.4
181.03340	0.3
181.04900	4.6
181.06450	1.4
181.10097	0.2
182.06927	0.2
183.08008	0.8
184.07324	0.3
185.05966	1.0
185.13252	0.2
186.06760	0.2
187.03882	1.6
187.07506	5.3
187.14861	0.3
189.05418	2.0
189.09055	0.3
191.03345	0.3
191.06978	0.6
191.08527	0.3
193.04861	0.4
193.06499	0.4
195.06467	0.3
195.08011	1.0
197.05940	1.4
197.09584	0.3
198.06741	0.3
199.07510	3.9
200.04601	0.3
200.08096	0.2
201.05426	2.2
201.09077	1.5
203.03322	0.2
203.06966	0.7
205.04926	10.3
206.05299	0.2
207.07979	0.4
209.05870	0.3
209.09532	0.4
210.06686	0.6
211.07523	2.3
212.08150	0.3
213.05435	1.7
213.09045	1.9
215.06975	1.2
215.10603	0.2
217.04866	0.8
219.06403	0.4
219.08211	0.3
219.11693	0.2
221.09612	0.2
223.07487	1.4
223.10989	0.2
224.08031	0.3
225.05515	0.2
225.09000	1.3
226.06133	0.3
227.07021	1.0
227.10608	0.4
229.04930	2.1
229.08470	0.3
235.05916	2.0
235.11179	0.2
237.05299	0.2
237.09079	0.8
239.06955	0.5
239.10593	0.5
241.04782	0.2
241.19536	0.2
243.20993	0.5
247.05869	2.1
249.09099	0.2
249.12560	0.3
251.06924	0.4
251.10565	0.3
251.14119	0.2
253.04872	0.2
253.08516	0.2
253.12228	0.4
255.13680	0.3
259.05890	0.2
259.20459	0.8
261.08975	0.3
261.22107	1.5
263.07083	0.2
263.10345	0.2
265.06918	1.3
265.12125	0.4
267.06470	0.3
267.13660	0.7
269.15314	0.9
271.05716	0.3
277.11993	0.2
279.06448	0.4
279.13651	0.5
281.15259	0.4
283.08197	4.5
283.12885	0.2
285.07431	0.3
285.14749	0.6
287.16351	0.7
289.14420	0.2
291.06528	0.2
291.13589	0.3
293.08182	0.3
293.15402	0.3
295.06024	1.5
295.13086	0.3
297.07407	0.4
297.14764	1.1
299.16263	0.5
301.09128	9.6
301.14224	0.3
302.09390	0.2
303.06360	0.3
305.07916	0.3
305.15228	0.2
307.05478	0.2
307.13080	0.4
308.06732	0.8
309.07547	1.0
309.14658	0.6
311.16290	0.5
313.06934	0.9
313.14322	0.5
315.15891	4.5
317.08051	0.2
317.24387	0.2
319.05966	0.2
321.07364	0.7
321.10797	0.2
321.14481	0.4
322.08069	0.3
323.08945	0.5
323.16379	0.4
325.10516	0.1
325.14264	0.7
325.17615	0.2
327.15836	2.4
333.07471	0.3
333.17126	0.2
333.24094	0.6
335.09058	0.6
335.25723	16.4
336.26068	0.6
337.27448	0.3
339.15872	2.1
341.17346	0.4
345.16794	0.3
347.08844	0.3
353.17157	0.2
357.16989	0.2
359.18536	1.3
361.19714	0.2
363.15839	0.2
365.17163	0.2
371.18387	0.2
375.17389	0.2
383.18497	0.2
387.18097	0.2
389.19485	2.6
391.21490	0.2
395.18405	0.2
399.17801	0.4
399.25235	0.3
401.19516	1.1
405.16455	0.2
413.19803	0.8
415.21759	0.2
419.19940	0.4
421.16370	2.3
429.16620	0.5
437.19678	0.2
445.16180	0.3
447.11993	0.3
447.17957	4.6
448.17810	0.2
463.17447	0.2
465.12903	0.2
465.19034	3.3
471.17822	0.4
473.26758	0.2
489.19012	0.4
495.19730	0.3
503.20502	0.4
513.18689	0.4
521.21844	1.5
531.20093	0.3
539.22626	2.3
545.35498	0.3
557.23157	0.5
557.35822	0.5
563.22620	0.2
581.35913	0.2
599.37152	0.3
619.39221	0.8
621.40100	0.2
637.38623	0.2
647.38672	0.6
649.31055	0.2
649.40845	3.7
655.38824	0.3
661.40729	1.8
667.41437	0.5
673.41193	1.2
677.40332	0.7
678.39502	0.2
679.41840	1.2
691.41882	0.9
755.40747	0.4
773.42383	1.7
774.41302	0.2
781.41907	0.6
799.44000	4.1
800.43054	0.5
817.44781	3.0
818.44763	0.2
823.42499	0.4
865.43726	0.4
998.39569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.6642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03394	1.6
69.07059	9.9
70.22212	1.8
70.22607	1.9
71.04987	1.1
77.03910	1.6
79.05478	13.9
81.06566	1.9
81.07043	31.2
82.07368	0.8
83.04963	6.5
83.08603	6.8
85.06525	1.8
91.05464	21.1
93.07028	44.1
95.04962	3.9
95.08588	57.8
97.06513	2.1
97.10145	3.0
99.04435	1.9
99.08067	1.9
101.05984	1.9
103.05437	1.5
105.07011	46.3
106.07312	1.0
107.04922	1.5
107.08577	77.5
108.08925	2.2
109.06493	3.9
109.10131	29.9
111.04424	1.0
111.08063	12.4
111.11688	1.0
117.07008	6.6
119.08562	60.9
121.06473	3.3
121.10125	38.2
123.08036	4.0
123.11681	13.4
125.09606	45.6
127.07536	1.3
128.06219	1.9
129.07011	4.8
130.07742	2.0
131.08549	30.7
132.08972	0.9
133.10106	50.9
134.10419	1.7
135.08022	2.5
135.11667	29.7
137.09592	2.7
137.13229	1.9
139.03882	1.5
139.07532	1.3
139.11090	0.9
141.06932	1.8
142.07765	2.1
143.08533	15.5
144.09296	3.3
145.10098	57.0
146.10570	1.3
146.43513	0.8
147.08035	1.9
147.10472	1.5
147.11665	30.3
149.09601	3.9
149.13231	12.2
151.11172	5.1
153.09096	3.7
155.08536	3.4
156.09305	2.3
157.10110	18.1
158.10861	2.5
159.08009	1.6
159.11670	56.1
160.12111	1.8
161.09624	4.1
161.13232	27.2
161.14578	1.3
162.13515	1.4
163.03905	1.1
163.07489	2.3
163.11148	6.6
163.14777	11.6
165.09035	1.5
165.12758	3.5
169.10092	4.6
171.11655	16.1
172.12332	2.4
173.09555	2.3
173.13235	32.8
175.11121	4.2
175.14784	25.7
176.15135	1.2
177.09058	5.5
177.12737	8.0
177.16348	11.3
179.10663	2.2
179.14265	1.3
181.12122	1.9
183.11659	4.8
184.12462	1.1
185.13220	14.1
186.13835	1.5
187.11221	2.5
187.14793	54.3
188.15138	1.7
189.12775	4.5
189.16351	35.3
190.16769	1.0
191.10640	2.0
191.14291	11.1
191.15948	1.2
191.16270	1.3
191.17897	13.0
193.12239	2.6
193.15845	3.8
195.11714	2.4
195.13760	7.8
197.13222	6.0
199.14784	20.2
200.15244	0.9
201.16344	58.9
202.16698	1.7
203.14233	4.5
203.17920	13.9
205.12225	1.1
205.15845	17.8
205.19490	2.5
206.16095	1.0
207.11884	1.2
207.13742	5.6
207.17404	3.2
209.13269	2.5
209.15344	2.1
211.14754	3.6
213.12862	1.8
213.16354	23.4
215.14343	3.1
215.17914	33.0
216.18214	1.2
217.12227	1.8
217.15854	5.5
217.19434	3.7
219.13762	2.7
219.17393	25.2
221.15320	7.3
223.14786	1.9
223.16779	1.6
225.16295	2.8
227.14322	1.4
227.17946	4.1
229.15852	4.8
229.19496	3.8
231.13727	2.2
231.17351	3.8
233.15314	3.8
233.18919	6.6
235.16875	13.1
239.17888	2.5
241.19463	4.5
243.17422	1.4
243.21030	3.0
245.15341	3.2
247.16864	22.8
249.14458	1.3
249.18475	2.5
251.18007	1.3
253.19406	2.7
255.20993	4.2
259.16983	2.3
259.20544	1.8
261.18469	15.3
263.16299	1.4
265.19440	2.3
267.21030	7.0
269.22568	1.7
275.20074	2.0
279.21207	1.3
281.22687	2.5
283.24155	1.9
285.18457	0.9
287.19916	1.6
293.22659	2.7
295.24197	1.4
311.20422	1.4
311.23700	4.4
313.21683	1.3
313.25455	0.8
319.23975	0.9
325.21594	0.9
327.22998	2.2
341.24655	6.7
343.26251	3.4
345.25723	2.5
349.28973	1.2
353.24649	1.1
363.26761	8.8
365.24539	1.1
373.25006	1.1
377.31760	1.4
379.33603	1.3
381.27814	25.2
382.28259	1.3
383.29254	2.9
389.31982	14.0
391.26160	6.6
395.29169	2.6
399.28870	16.5
400.29282	1.2
407.33035	74.8
408.33328	4.1
409.27197	13.1
409.34833	4.0
410.27750	1.4
417.31393	1.0
423.32489	7.7
425.34116	4.2
427.22653	0.9
427.28363	18.9
435.32520	44.5
436.33011	3.3
441.32819	1.0
443.35092	5.3
445.29449	22.9
446.30353	1.1
453.33566	100.0
454.33905	5.8
471.34393	3.8
495.03296	0.8
514.23761	0.8
520.82117	1.0
702.22400	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6032
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	1.8
69.07060	8.7
69.37199	1.5
69.37622	3.3
71.04980	2.0
73.02906	2.0
79.05481	26.2
81.03409	1.5
81.07042	27.4
83.04964	1.4
83.08614	5.5
85.02886	8.3
85.06536	1.3
91.03950	5.5
91.04881	1.2
91.05466	28.5
93.07028	29.6
95.04947	4.7
95.08590	21.7
97.02871	4.0
97.06515	2.4
97.10168	2.6
97.10673	0.4
99.04419	0.6
99.08073	1.0
102.77336	0.4
103.05428	1.0
105.04528	0.7
105.07013	29.6
107.04931	1.5
107.08575	17.0
109.02838	0.5
109.06474	2.2
109.10145	10.0
111.08073	1.1
115.05453	2.1
116.06223	0.9
117.07000	13.1
117.07834	0.8
119.08562	23.4
120.08926	0.7
121.06436	1.0
121.10120	12.4
123.08080	1.5
123.11710	2.1
125.09621	1.4
127.03923	1.9
128.06187	2.6
129.05472	0.6
129.06982	9.9
130.07803	1.2
131.08545	18.5
133.10109	17.0
135.08037	1.8
135.11671	9.0
137.09608	0.7
137.13171	0.8
139.11177	0.9
141.06985	3.9
142.07748	2.6
143.08543	12.7
144.09315	0.7
145.04967	1.9
145.06522	0.7
145.10098	16.5
147.08124	0.9
147.11667	10.3
149.09636	1.5
149.13229	3.7
151.11201	0.5
153.06982	1.3
154.07777	1.3
155.08517	6.7
156.09319	0.8
157.10092	11.4
159.11665	11.8
161.09612	0.9
161.13217	5.6
163.06029	3.2
163.11230	1.1
163.14810	1.8
165.07027	0.6
166.13606	0.4
167.08556	4.2
168.09355	1.1
169.10092	9.2
171.11655	10.4
172.12357	0.6
173.09584	0.6
173.13223	8.8
175.14807	3.8
179.08553	1.3
180.09280	0.5
181.10095	5.0
182.10916	1.1
183.11658	8.6
183.13191	0.7
185.09616	0.5
185.13222	7.2
187.11206	0.8
187.14749	3.2
189.12816	0.5
189.16455	1.4
191.08479	0.6
193.10162	2.0
195.11690	5.8
197.13217	6.9
199.14780	3.9
201.12796	0.6
201.16367	1.4
203.14349	0.9
203.18033	1.3
205.10162	0.7
207.11627	2.0
208.12454	0.5
209.13260	5.0
211.14767	5.6
213.16408	2.5
215.14355	0.6
215.17972	1.6
221.13217	1.5
223.14783	3.1
225.16367	3.0
227.14424	0.6
227.17973	1.8
229.19566	1.2
233.13193	0.5
235.14795	1.8
237.16289	2.7
239.18036	2.7
241.19548	2.0
243.21165	0.6
249.16307	1.0
251.17986	1.3
255.21202	0.6
257.18906	2.5
259.14777	0.5
259.20523	3.4
261.22159	1.1
263.17877	0.7
265.19672	1.1
267.21136	0.5
269.18915	0.9
271.20639	0.8
273.22116	0.9
275.20071	1.3
279.20932	1.1
281.18832	0.9
283.20291	0.9
297.22055	1.1
299.20016	0.8
301.21701	1.0
309.21561	0.6
311.20285	0.6
311.23734	1.3
313.21649	0.7
315.23276	0.9
323.23788	1.5
325.21774	0.6
331.22812	0.7
333.24319	3.4
335.26050	2.5
337.25168	1.0
339.23138	1.0
341.24890	0.6
345.24261	0.8
349.24973	0.7
351.26779	1.9
353.24704	0.5
355.26334	0.5
363.27045	0.5
365.28510	1.3
367.26462	0.7
369.27991	0.5
377.28488	0.7
379.30188	1.0
381.27493	0.6
391.30435	0.6
393.31717	0.8
407.29105	0.7
409.30981	1.4
421.30502	1.0
431.27924	0.7
435.32678	0.9
445.29337	0.5
447.32196	1.4
449.33896	0.9
459.31189	0.7
461.34000	1.0
465.34235	0.9
473.32480	0.6
483.34412	0.8
487.34256	1.6
499.33536	0.8
499.39816	1.0
501.35684	2.0
513.35638	0.9
515.37616	1.5
517.40320	9.6
521.36255	1.5
525.35736	1.4
527.37817	1.0
529.38605	0.6
535.41510	4.5
539.37250	2.9
541.39404	0.8
553.39258	1.4
555.41058	0.6
567.40057	0.9
573.42871	1.0
591.43958	10.3
607.43054	1.4
609.45026	100.0
610.45441	6.4
619.43457	0.6
621.44763	1.4
633.45026	1.0
651.46118	1.3
675.46472	0.6
693.47369	1.0
699.45807	1.6
717.47046	2.0
735.47803	2.0
753.48932	2.9
771.50311	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	986.6023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	10.5
69.06713	1.9
69.07055	24.1
69.33160	13.7
71.04960	5.1
73.02892	4.9
77.03926	1.7
79.05481	71.6
80.05801	2.7
81.03408	10.1
81.07043	78.7
83.04969	10.8
83.08603	11.4
85.02897	21.6
85.06510	4.3
87.18196	1.5
91.03940	10.4
91.04881	2.1
91.05466	66.7
93.07026	83.7
95.04971	12.4
95.08588	61.4
97.02870	16.1
97.06512	8.3
97.10165	5.1
98.21463	2.5
99.04417	2.9
99.08059	2.4
99.50259	1.3
103.03931	1.4
103.05402	1.8
105.04465	1.8
105.07012	58.9
107.04923	4.8
107.08576	48.3
109.02858	2.0
109.06497	5.3
109.10134	29.9
110.10497	1.4
111.04432	1.8
111.08061	3.3
113.09661	1.2
115.05438	5.3
117.07011	21.1
119.08563	46.2
121.06488	3.6
121.09303	2.5
121.10125	37.8
123.08025	2.9
123.11675	8.2
125.09608	4.0
127.03913	8.2
128.06198	2.8
129.05426	5.0
129.06984	11.5
131.08543	35.0
133.06474	2.4
133.10114	41.4
135.08034	3.0
135.11676	19.0
137.09589	3.4
137.13176	2.3
141.06944	2.5
143.08545	10.0
145.04933	5.3
145.10110	25.4
147.08018	2.3
147.11668	26.1
149.09583	5.4
149.13254	15.1
151.11134	1.5
155.08549	1.8
157.10106	10.0
159.11671	22.2
161.09554	2.1
161.13232	16.8
163.05988	5.0
163.11180	2.9
163.14758	4.0
169.10120	5.3
171.11649	8.4
173.09608	1.6
173.11839	1.4
173.13248	16.2
175.11131	1.8
175.14761	7.1
177.12677	3.0
177.16354	1.6
179.47253	1.4
183.11647	4.6
185.13222	8.7
187.14752	5.0
189.11165	1.9
189.12643	1.7
189.16397	1.5
191.14232	1.8
195.11713	1.9
195.13835	1.9
197.13229	3.0
199.14801	5.1
201.16364	3.1
203.14442	2.0
215.17931	2.3
217.15919	1.4
225.11455	1.5
227.12862	1.5
229.14310	3.5
231.20978	2.3
239.17929	3.0
241.19498	10.3
243.21115	3.6
253.14180	1.9
257.18933	8.5
259.20544	33.0
261.22125	11.0
269.17395	6.2
275.20071	13.7
277.21649	1.6
291.19479	2.5
293.20993	4.5
309.20633	3.5
313.21356	1.3
315.23175	1.4
331.22592	3.3
333.24173	24.0
335.25745	100.0
336.26044	5.1
337.27121	5.6
349.23718	10.4
365.23492	1.5
373.18607	1.5
489.35773	9.1
519.41559	3.1
527.36505	1.4
529.38898	26.5
537.42603	1.8
569.41718	10.0
593.45593	8.5
609.45099	11.0
611.46631	54.7
612.46686	3.4
626.44672	2.6
627.45331	7.7
673.41058	1.4
719.48651	2.7
737.49036	2.3
840.08582	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07059	15.3
71.04970	1.6
77.03906	0.8
79.05480	25.5
81.03400	4.3
81.07046	33.6
83.04971	4.1
83.08596	5.1
85.02890	1.0
85.06520	1.6
91.05466	40.4
93.07029	29.2
95.01308	4.6
95.04956	7.1
95.08591	22.2
97.02851	0.7
97.06515	12.8
97.10156	1.8
99.08078	1.2
103.05449	1.5
105.07014	56.9
106.07351	0.8
107.04945	11.0
107.08581	17.4
107.09290	1.2
109.06517	2.3
109.10132	7.7
111.08077	2.4
113.09626	0.6
115.05451	0.8
117.06999	11.2
119.08560	35.6
121.06522	2.2
121.10127	9.3
123.04388	0.9
123.08074	2.5
123.11719	1.2
125.09657	1.6
127.07513	1.1
127.49876	0.6
128.06235	0.8
129.05446	0.9
129.06995	4.3
130.26799	0.5
131.08551	18.9
133.06538	0.7
133.10107	34.6
135.08043	2.6
135.11681	8.1
137.09593	1.7
137.45532	0.6
139.03961	0.7
141.06961	1.7
142.07834	0.7
143.08549	5.5
145.06473	1.7
145.10094	14.7
147.08018	1.0
147.11668	19.5
149.09593	3.6
149.13245	4.3
151.11198	1.5
155.08556	2.1
157.10095	5.4
159.08028	1.1
159.11667	11.9
161.09718	1.7
161.13234	11.7
163.11121	2.9
163.14825	1.3
165.09105	1.2
165.12680	0.7
169.10150	2.0
171.10208	0.9
171.11655	5.7
173.13240	6.1
175.11205	1.7
175.14774	4.0
177.12752	2.7
179.14304	6.2
183.11710	1.7
184.07350	0.7
185.13228	3.6
187.11183	2.5
187.14865	1.9
189.12677	1.1
195.11769	0.8
195.13672	0.8
197.13252	1.6
199.14832	2.4
201.16389	0.8
205.12233	0.8
213.16255	1.1
215.14249	0.7
215.17987	0.9
217.19563	0.9
231.20988	0.9
239.17981	1.1
241.19481	11.9
247.16823	0.8
247.20641	1.2
257.19006	3.8
259.20541	22.0
260.21146	0.6
273.18506	1.0
275.20029	35.4
277.21588	1.6
279.15915	1.1
293.21075	2.0
313.21597	1.0
315.23178	6.0
331.22873	0.9
333.24179	37.4
334.24481	1.1
349.23697	36.2
350.24200	0.8
351.25177	0.9
437.33990	0.9
511.37805	1.2
513.35559	3.0
515.37659	0.7
527.36908	0.7
533.40216	1.2
551.40643	1.1
607.43463	100.0
608.43860	6.2
625.44574	16.6
626.44434	1.0
877.05298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	5.6
69.07056	18.7
69.07411	0.7
71.04933	1.9
71.14427	0.7
71.14762	0.4
73.02866	0.8
77.03867	0.9
79.05478	27.8
81.03407	4.2
81.07042	35.8
83.04973	3.0
83.08601	7.5
85.02882	3.5
85.06490	0.9
89.44003	0.5
91.03895	1.4
91.05463	18.7
93.07025	30.9
95.01276	0.5
95.04951	7.5
95.08589	26.7
96.08913	0.4
97.02876	9.2
97.06512	3.1
97.10152	9.2
99.08053	0.9
100.10541	0.4
105.04456	0.8
105.07018	13.1
107.04285	0.5
107.04935	5.0
107.08572	18.7
109.02802	0.7
109.06470	2.3
109.10133	11.3
111.08051	2.1
115.05420	0.8
117.07005	6.8
119.04896	0.7
119.08559	13.1
121.06494	2.5
121.10118	12.1
123.07990	2.0
123.11688	3.0
125.09614	6.3
128.06197	0.6
129.06992	2.4
131.08537	8.8
133.06416	1.8
133.09239	0.5
133.10103	6.4
134.07222	0.7
135.08052	2.2
135.11658	6.8
137.09561	1.9
139.11163	0.5
141.06927	0.6
143.08560	2.8
145.04836	1.0
145.06380	0.8
145.10089	7.8
145.37524	0.5
147.08023	3.4
147.11650	4.5
149.09538	1.4
149.13228	3.9
151.11122	0.6
153.09029	0.8
156.09230	0.5
157.10123	2.3
159.11676	4.0
161.09550	1.8
161.13199	2.4
161.98965	0.5
162.10352	0.6
163.11072	1.2
163.14751	1.4
165.09093	0.8
165.12642	0.6
169.10124	0.6
169.12100	0.5
171.10153	0.4
171.11610	1.1
173.11771	0.6
173.13171	2.1
175.11142	1.5
175.14772	1.2
177.12741	1.0
183.11652	0.5
185.13208	0.6
187.11194	0.6
187.14737	0.9
187.54420	0.4
189.11188	2.6
189.12657	0.7
193.12170	0.6
195.13766	0.6
197.58748	0.4
199.14743	0.5
201.16341	0.6
205.12210	1.6
211.13152	0.7
223.13248	15.1
227.12692	2.8
227.17845	1.0
233.15227	0.5
243.21025	1.7
245.19017	0.9
249.14784	1.9
261.22110	6.5
267.15900	0.8
273.18463	7.6
275.19980	0.5
291.19485	68.5
292.19836	1.3
293.20898	0.5
317.24564	2.4
335.25735	62.7
336.26105	1.4
347.22098	1.3
365.23172	41.3
366.23505	1.0
423.04828	0.5
505.35464	0.8
527.37024	0.9
545.38232	4.1
551.40814	0.6
557.38300	0.7
607.43756	2.4
625.44513	100.0
626.44641	3.5
643.45605	1.5
689.41992	0.8
787.49335	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	6.5
69.07059	21.3
69.07410	0.7
70.20435	3.1
71.04944	1.7
73.02869	1.3
79.05480	30.7
81.03412	4.7
81.07044	37.5
83.04962	4.1
83.08604	10.0
85.02894	4.3
85.06487	1.2
91.03898	2.5
91.05466	19.1
92.06213	0.5
93.07030	34.0
95.01247	0.6
95.04955	9.0
95.08592	26.6
97.02879	10.6
97.06522	3.0
97.10154	10.8
103.05369	0.8
105.04462	1.0
105.07013	15.4
107.04947	6.2
107.08579	19.6
109.06503	4.2
109.10139	14.3
111.04361	0.7
111.08004	1.9
115.05393	0.9
116.06168	0.7
117.07002	8.1
119.04965	0.7
119.08564	15.0
121.06447	2.4
121.09325	0.9
121.10120	12.7
123.04402	1.0
123.08031	3.2
123.11646	3.5
125.09600	9.3
127.03827	1.3
128.06184	1.4
129.06978	3.5
131.08554	10.7
133.06406	2.1
133.10109	7.8
134.07245	0.8
135.08049	2.7
135.11647	6.7
137.09552	2.2
137.13170	0.6
142.07751	0.8
143.08545	2.8
145.04869	0.9
145.06474	1.0
145.10101	7.1
147.08078	4.8
147.11676	5.0
149.09547	2.1
149.13252	4.0
151.11136	1.0
153.09029	1.0
155.08510	1.1
157.10097	3.0
159.07996	0.9
159.11659	3.3
161.09541	2.6
161.13232	3.0
162.10278	1.3
163.06032	0.8
163.11118	1.6
163.14781	1.7
165.09064	1.5
169.10150	0.8
171.10260	1.0
171.11650	3.0
173.11832	0.6
173.13213	3.0
175.11119	1.5
175.14723	1.6
177.12682	1.3
177.16248	0.7
184.07306	0.6
185.13228	1.3
187.14801	1.0
189.11147	3.4
189.12631	0.7
189.16245	0.7
193.12109	0.7
195.11713	0.7
195.13615	0.8
199.11024	0.8
205.12210	1.7
211.13155	0.8
223.13248	16.5
227.12650	5.1
243.21172	2.7
245.18875	1.1
249.14799	2.7
255.17461	1.0
259.20599	0.8
261.22064	8.8
263.20038	0.9
267.15860	1.5
273.18460	13.1
275.20139	1.0
291.19498	98.4
292.19858	2.2
309.20639	1.1
317.24716	3.1
333.24240	0.8
335.25748	72.2
336.25906	0.7
347.22174	3.2
365.23187	76.5
366.23386	1.3
429.21683	0.7
513.35107	0.9
527.37091	1.5
533.39581	0.8
545.38147	5.4
551.40607	1.0
572.54211	0.7
607.43323	4.0
625.44550	100.0
626.44958	2.6
643.45471	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05822	1.0
69.03418	9.8
69.07063	36.1
69.07451	1.7
69.97289	4.9
71.01348	2.6
71.04990	11.6
73.02923	2.8
77.03926	1.5
79.05482	57.9
80.05846	1.0
81.03407	96.3
81.07048	74.2
82.03725	1.7
83.04974	15.1
83.08608	33.7
85.02895	12.0
85.06535	8.0
86.21861	0.9
87.04455	5.1
91.03961	4.7
91.05467	69.5
93.07030	59.5
95.01315	1.3
95.04959	45.6
95.08595	41.0
95.09232	1.3
97.02878	13.8
97.06513	15.7
97.10156	16.8
98.21393	1.1
99.04449	3.6
99.08084	3.9
103.03924	1.2
103.05476	2.2
105.03400	1.3
105.04533	1.3
105.07018	48.5
107.04946	22.9
107.08578	33.6
108.08901	0.9
109.02872	3.1
109.06501	10.2
109.10145	57.3
110.10472	1.2
111.04447	4.5
111.08072	13.6
113.05975	1.6
113.87545	1.0
113.89430	0.8
115.03931	1.1
115.05437	4.2
116.04721	0.9
117.06998	16.7
119.04948	3.7
119.08568	40.3
121.06486	11.8
121.10128	25.9
122.10492	0.7
123.04447	3.5
123.08054	10.9
123.11684	4.6
125.05955	1.8
125.09615	13.4
127.03876	5.0
127.07617	1.1
128.06218	2.8
129.05473	3.1
129.06987	20.1
129.07898	1.6
131.04956	1.6
131.08549	26.9
133.06494	6.8
133.10126	24.6
133.10909	0.6
135.04401	1.5
135.08022	7.4
135.11674	15.7
137.05940	2.2
137.09601	13.6
137.13206	1.0
139.07495	0.8
139.11162	1.5
141.06979	3.2
142.07800	4.8
143.08554	10.0
145.04932	1.5
145.06471	4.6
145.10100	19.2
147.04387	2.0
147.08035	9.0
147.11678	18.6
149.06013	1.6
149.09604	26.3
149.13248	3.9
151.07582	1.2
151.11197	5.3
153.09059	2.0
153.12778	1.3
155.08553	3.7
155.10655	3.6
157.06523	1.4
157.10115	16.3
159.08054	3.4
159.11685	10.3
161.05911	1.0
161.09618	5.1
161.13249	5.4
163.06010	2.0
163.11159	16.9
163.14845	1.1
165.06989	1.0
165.09076	1.7
165.12766	3.0
167.08577	1.7
167.10716	1.6
169.10095	4.3
169.12268	1.2
171.08055	1.1
171.10228	2.0
171.11681	6.4
173.04482	2.8
173.05925	1.2
173.09561	3.4
173.11728	15.2
173.13252	4.2
175.11157	15.0
177.12703	4.3
177.16238	0.9
179.10753	1.7
179.14317	2.0
181.10091	2.2
181.12227	2.8
183.11714	3.4
184.07333	1.5
185.09581	1.9
185.13286	4.3
187.11189	2.6
187.13219	1.4
187.14842	1.1
189.09221	1.7
189.11205	6.4
189.12781	2.9
191.10681	3.8
193.10381	2.0
193.12216	35.3
194.12524	1.1
195.11714	2.0
195.13835	2.3
197.13286	3.1
197.15224	1.9
199.11163	2.8
199.13287	3.3
201.12837	1.8
201.16458	1.0
203.10616	1.2
203.14331	1.6
205.12128	4.2
205.15965	0.9
207.11873	0.9
207.13838	1.8
209.11581	1.4
211.13222	6.4
211.14977	1.1
213.12724	2.0
213.14618	1.0
215.14296	1.6
219.13794	2.8
221.15482	0.9
223.13071	4.8
225.12863	1.4
225.14708	4.7
227.12714	15.1
229.14317	55.5
231.13861	2.0
233.15320	2.2
235.13329	2.1
237.14742	1.1
241.14346	2.1
243.13768	1.3
243.15935	5.3
245.19096	1.4
247.20599	1.5
249.14905	5.4
252.40686	0.9
253.14391	2.6
255.15816	12.5
257.18945	2.5
259.15430	3.4
263.20184	1.8
267.15884	100.0
268.16299	2.5
269.17496	8.8
273.15045	1.9
273.18460	5.1
275.20038	19.3
276.20438	0.9
279.15869	1.0
283.15399	2.1
285.17053	2.9
287.19904	1.0
291.19513	10.8
293.21097	1.9
297.16727	1.3
297.22052	1.2
299.18344	1.0
301.14301	2.9
301.21603	2.1
303.15878	0.8
309.17102	1.9
311.19989	2.0
315.17780	5.2
321.17117	1.0
329.20944	6.9
331.22571	1.4
341.20737	1.1
343.22705	1.6
347.22128	2.7
349.23706	20.4
355.22604	3.2
361.23413	1.1
363.21686	1.5
365.23212	7.8
367.24805	0.9
369.24249	1.5
373.18704	2.2
383.24396	1.9
385.23639	1.6
391.24619	1.3
393.19464	1.1
393.26746	0.9
403.24658	9.9
408.46097	1.0
409.25775	4.9
417.26157	2.5
419.23721	1.2
421.25833	53.4
422.26266	1.2
423.27344	13.5
427.77643	1.0
429.26291	2.4
431.28296	1.4
435.27466	12.7
437.24927	1.4
443.27603	1.1
445.29437	2.3
447.27383	43.0
448.27686	1.4
449.29733	1.4
453.28476	2.0
459.27521	3.9
461.28979	7.2
463.26886	2.4
467.30392	2.9
477.28336	4.6
485.74438	0.9
489.28537	1.9
491.33459	0.9
493.31790	1.3
503.33823	4.9
509.31036	3.9
521.34729	2.0
523.34021	1.8
529.28131	1.5
530.66705	0.8
539.33521	1.8
541.35168	57.8
542.35376	2.5
547.28333	1.4
557.34570	9.0
559.36273	20.9
560.36694	1.3
565.30109	1.8
573.37561	2.1
575.35364	2.4
589.37146	2.0
591.38660	1.3
607.37738	1.4
703.40027	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06573	0.2
71.07361	4.0
79.05460	0.2
80.60027	0.1
81.07040	0.2
84.08100	0.1
86.09689	31.0
87.10021	0.3
91.05486	0.1
93.07033	0.2
95.04917	0.1
95.08614	0.2
98.98450	4.1
98.99108	0.2
104.10732	3.3
105.07079	0.1
107.08578	0.1
109.10164	0.1
119.08579	0.1
121.06479	0.3
124.99982	21.2
139.03871	0.7
143.01010	0.5
143.08583	0.1
149.09560	0.1
153.01785	0.2
166.02585	0.2
168.94754	0.1
173.06027	0.1
184.07307	100.0
185.02002	0.1
185.07664	0.8
219.00270	0.1
445.88055	0.1
496.34055	0.4
650.48505	0.1
840.50189	1.2
960.51593	0.1
978.53223	14.0
979.53442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.6291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03408	2.4
69.07057	14.5
71.04980	2.4
71.08617	16.7
74.74374	1.1
79.05472	16.7
81.03400	4.0
81.07038	39.6
83.04970	3.4
83.08602	16.3
85.02887	5.0
85.06511	1.3
85.10174	12.9
89.06023	1.4
91.03942	3.5
91.05459	17.1
93.07031	20.3
95.04958	5.0
95.08585	29.8
96.94662	1.1
97.02866	3.3
97.06502	7.2
97.10157	12.1
99.04429	1.3
105.07010	15.2
107.04931	3.0
107.08564	17.2
109.06477	2.3
109.10133	42.1
111.08060	3.9
117.06996	8.0
118.54633	1.2
119.08556	17.7
121.06525	2.0
121.10110	9.2
123.08022	1.8
123.11682	5.0
125.09623	4.4
131.08551	7.0
133.10095	12.0
135.08064	4.3
135.11682	4.7
137.09624	3.7
137.13263	1.5
143.08531	1.6
145.10110	6.8
147.11650	5.6
149.09610	3.7
149.13185	7.2
151.11160	1.8
155.10658	1.6
157.10086	2.5
159.08057	2.0
159.11674	4.9
161.09590	1.1
161.13158	1.8
163.05936	2.1
163.11166	2.7
169.10164	1.7
171.11668	2.4
173.11728	8.8
173.13130	2.7
183.11684	1.3
189.11179	3.7
189.12715	1.6
195.13773	2.6
210.28206	1.1
227.12708	11.4
229.14308	51.9
239.17920	1.4
239.23647	2.6
253.65482	1.1
257.18918	3.2
257.24774	2.0
269.17435	19.3
271.16901	1.3
275.20016	22.3
291.19507	1.3
293.21033	3.1
313.27304	100.0
314.27786	2.4
331.22729	3.0
335.25711	2.8
349.23688	24.3
363.21945	1.4
367.24738	16.8
413.21707	2.5
467.37253	39.3
483.36450	1.3
507.40366	50.4
508.40549	2.1
547.43079	3.0
587.46539	43.7
588.47314	2.2
605.47723	33.6
623.43036	6.5
775.44452	1.6
941.01422	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	4.5
69.07058	17.6
69.87695	0.6
71.04974	3.1
71.08619	0.9
73.02911	3.6
77.03915	1.1
79.05481	53.5
81.03400	2.6
81.07043	65.1
82.07374	0.9
83.04964	3.1
83.08608	10.7
84.55158	0.6
85.02894	14.0
85.06520	2.5
91.03948	9.8
91.05465	53.8
93.07027	65.7
95.04956	7.6
95.08591	54.9
97.02882	8.1
97.06506	5.6
97.10167	4.0
99.04490	1.2
99.08079	2.3
103.05441	1.5
105.04523	0.9
105.07013	51.4
107.04942	1.3
107.08575	37.4
109.02872	0.9
109.06501	4.7
109.10139	23.1
111.08067	2.4
111.11702	0.8
113.09624	1.1
115.03939	0.7
115.05436	2.0
117.06999	18.4
119.08560	45.1
121.06489	0.8
121.10120	30.4
123.08062	3.4
123.11678	7.7
125.09595	2.0
127.03896	4.1
128.06212	2.5
129.05489	1.5
129.06992	8.5
130.07779	1.4
131.08551	27.3
133.06561	1.0
133.10107	38.2
135.08037	2.1
135.11674	22.2
137.09584	2.3
137.13245	2.1
139.11172	0.8
141.06950	1.6
142.07753	1.2
143.08546	9.4
144.09312	0.9
145.04965	4.7
145.10103	24.9
147.11661	31.4
149.09636	2.0
149.13232	12.2
151.11064	0.9
155.08549	3.1
156.09439	0.7
157.10094	9.9
159.11656	24.5
161.13228	22.5
163.05995	8.7
163.11180	2.2
163.14772	5.3
167.08647	1.0
169.10103	3.8
171.11653	12.8
173.09578	0.8
173.13229	15.4
175.14801	8.7
177.12738	1.6
177.16367	1.2
181.10127	1.3
183.11734	2.7
185.13246	11.1
187.14799	7.5
189.12714	1.4
189.16400	1.4
191.14305	1.0
191.17874	0.8
195.11658	1.6
197.13269	3.0
199.14807	6.1
201.16345	2.1
203.17917	1.0
209.13240	2.0
211.14815	1.7
213.16406	2.1
215.17986	1.8
217.15785	1.0
217.19516	0.9
222.00211	0.7
223.14732	1.5
225.16397	1.0
229.19415	1.2
231.17465	1.2
231.20955	3.7
237.16400	0.9
239.17993	3.0
241.19493	18.9
243.20978	4.1
255.17358	0.8
257.18942	8.0
259.20532	52.0
260.21060	1.1
261.22079	11.1
263.23703	1.3
271.20660	1.1
273.22043	0.8
275.20108	0.9
283.20535	1.2
285.22189	1.0
289.21799	0.8
299.23718	1.1
301.21704	1.5
301.25177	1.0
313.21555	1.8
313.25143	1.0
315.23071	4.1
321.11166	0.8
325.25168	1.1
329.21024	0.9
331.22607	5.3
333.24185	44.9
335.25757	81.3
336.26276	1.6
337.27423	6.4
339.22955	1.1
351.25433	1.2
353.28442	1.8
355.22690	0.9
367.22632	1.5
367.30008	1.0
375.25586	1.1
385.23608	1.3
403.24756	1.9
441.26749	1.7
441.33069	0.9
449.33932	0.7
459.27139	1.1
461.32739	1.1
463.36246	0.7
488.71036	0.8
497.30490	0.8
501.35001	1.3
501.41345	1.6
503.37473	1.6
515.37054	1.3
517.38849	0.9
519.41919	7.4
529.38641	1.2
537.42706	3.0
541.38678	2.4
543.40485	0.9
593.45587	17.5
609.45135	1.0
611.46594	100.0
612.46808	3.2
623.46667	1.5
635.46893	1.2
677.47668	1.9
689.47583	1.5
701.47076	4.9
719.48730	4.8
737.49841	4.0
755.50391	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	970.6083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03406	3.3
69.07059	18.9
70.06374	3.0
71.04977	2.6
71.08613	1.1
73.02916	4.5
75.04479	0.9
77.03899	1.0
77.65010	0.8
79.05480	63.8
81.03405	3.0
81.07045	68.4
82.07355	0.6
83.04982	4.0
83.08611	9.8
85.02892	17.7
85.06527	3.2
87.04457	0.7
91.03954	11.5
91.05466	63.1
93.07029	73.3
94.07367	0.8
95.04951	9.3
95.08591	59.6
96.08958	0.7
97.02877	10.2
97.06509	3.4
97.10139	5.5
99.04447	1.6
99.08065	3.8
103.05437	1.7
105.04533	1.3
105.07012	61.1
107.04957	1.4
107.08580	39.3
109.06503	3.2
109.10136	23.8
111.08064	2.8
111.11701	1.0
113.09614	1.5
115.03882	0.9
115.05441	2.3
117.06200	1.2
117.07004	22.5
119.08561	51.5
121.06480	0.9
121.10125	33.1
123.08035	2.9
123.11682	7.7
125.09595	1.8
127.03876	3.4
128.06206	3.1
129.06975	11.6
130.07779	1.9
131.07558	1.7
131.08545	33.0
133.06517	1.1
133.10112	43.7
134.10378	0.7
135.08035	2.5
135.11667	25.6
137.09586	2.2
137.13257	2.2
139.11153	1.3
141.06989	2.5
142.07834	1.1
143.08539	11.3
144.09294	1.1
145.04947	5.5
145.10106	25.3
147.07953	0.8
147.11665	36.3
149.09599	3.1
149.13245	15.4
151.11147	1.5
151.14781	0.9
155.08543	2.5
156.09254	1.9
157.10098	12.7
159.08031	0.9
159.11668	24.3
161.09657	1.0
161.13235	24.1
163.06004	8.2
163.11140	1.4
163.14806	5.4
167.08395	0.8
169.10124	3.8
171.11665	14.2
173.13243	15.7
175.11195	1.5
175.14801	10.8
177.12735	1.7
177.16290	1.7
183.11665	6.2
184.12502	1.1
185.13228	13.2
187.14827	5.9
189.12714	1.7
189.16386	2.7
195.11661	1.6
197.13251	2.8
199.09714	0.8
199.14798	7.8
201.12695	0.9
201.16341	3.4
203.14359	1.0
209.13271	2.3
211.11180	0.8
211.14789	1.6
212.07269	0.7
213.16359	3.2
215.18011	2.9
217.15816	1.2
217.19377	1.1
223.14868	1.1
225.16438	1.5
227.18092	0.9
229.19528	1.7
231.17479	1.8
231.21071	5.8
239.17972	3.0
241.19496	23.6
242.19864	1.3
243.21133	3.2
257.18970	9.4
259.20538	69.1
260.20886	1.3
261.22128	10.8
267.15952	0.9
267.19434	1.1
269.18832	1.1
271.20621	1.2
273.22000	1.5
275.20023	1.3
277.21713	1.2
279.21030	0.9
281.21130	1.0
287.23633	0.9
289.21619	1.1
301.17096	0.8
301.21667	1.4
313.21814	1.6
315.23212	3.9
317.24707	2.2
321.22296	1.1
325.25208	1.8
331.22675	3.5
333.24179	47.4
334.24582	2.2
335.25745	77.4
336.26123	2.2
337.27490	6.1
339.23093	1.3
345.24158	1.0
351.25293	2.4
359.22107	0.8
367.22632	1.6
367.30197	0.8
369.27908	0.8
375.25330	1.1
385.23700	1.4
403.24530	1.7
437.33981	1.1
441.26474	1.1
459.27145	1.1
475.34055	1.5
477.28452	1.3
487.34583	1.0
489.35837	1.5
495.29492	1.5
501.35416	1.4
503.37427	2.1
515.37726	1.7
519.41785	6.2
527.36908	0.9
529.38763	1.7
537.43109	4.0
541.39124	2.8
575.43994	0.8
593.45575	18.7
594.45605	1.7
609.43811	1.0
611.46613	100.0
612.46820	7.1
623.46478	1.9
624.02130	0.8
635.46460	2.1
677.47498	1.4
689.47961	1.0
701.48010	3.8
702.48102	1.1
709.80261	0.8
719.48724	4.0
719.87921	0.8
737.50623	3.7
755.50421	4.2
773.51538	1.0
983.19745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05464	1.6
69.03392	1.0
70.87571	0.5
70.87924	1.2
73.02869	0.5
79.05439	0.8
80.04978	0.5
81.03372	0.6
85.02901	1.9
91.05423	1.4
93.06995	2.2
94.06557	4.5
95.04940	0.7
95.07339	2.3
96.07545	0.4
96.08113	5.3
97.02876	0.5
103.05435	0.5
106.06509	0.6
107.04904	0.4
107.07282	0.7
108.04467	2.1
108.08104	5.1
110.09667	9.4
113.01319	0.4
118.06520	0.5
120.08086	7.3
122.06021	7.1
122.09602	0.9
124.07568	0.4
127.03865	0.6
129.92207	0.4
132.04424	0.5
134.05946	1.6
136.07550	7.2
138.09119	14.9
139.03873	0.8
146.05981	0.8
147.04356	0.8
148.07578	3.2
150.09103	3.4
152.07060	2.2
160.03922	6.4
162.05478	0.5
164.07025	3.8
166.08615	24.3
167.07036	0.6
168.10095	0.6
172.03874	1.1
174.05399	0.5
178.05107	1.8
181.04935	0.4
190.04933	1.1
192.06480	0.7
198.11240	0.6
199.08624	1.5
204.06526	1.6
209.10640	0.6
211.08646	1.6
211.12283	1.3
212.09380	0.5
212.12889	0.4
213.10202	2.0
213.13921	0.5
217.07983	0.4
221.10652	0.6
222.11359	0.9
223.08597	2.2
223.12251	1.3
224.09171	0.5
224.13002	0.9
225.10181	9.8
226.10950	4.7
227.11732	3.2
235.08595	1.4
235.12236	0.9
236.09412	1.1
236.13087	0.6
237.10220	4.3
237.13747	2.1
238.10886	2.6
239.08154	3.7
239.11742	11.4
240.12489	2.9
241.09628	1.1
241.13329	1.1
247.12262	0.7
248.09413	1.3
249.10158	3.8
250.10912	6.0
251.08177	3.0
251.11737	14.1
252.09039	0.9
252.12465	3.4
253.09668	4.1
253.13312	9.8
254.10474	10.5
254.13475	0.6
254.14189	0.6
255.11240	0.9
255.14876	1.1
262.10895	0.6
263.08942	0.6
263.11761	12.4
264.08923	1.5
264.12518	6.2
265.09723	5.3
265.13309	20.8
266.10526	2.5
266.13742	2.2
267.11243	6.3
267.14813	2.0
268.11923	1.0
269.12939	1.2
271.10736	2.0
271.14151	0.7
275.11786	0.6
277.09705	1.8
277.13199	0.6
278.10403	1.8
279.11261	7.1
280.11829	0.6
281.09711	0.7
281.12836	12.2
282.13498	3.2
283.10757	4.9
283.14383	3.8
284.11551	1.3
285.12286	9.7
286.13052	2.5
291.11255	3.6
292.11929	1.2
293.09512	0.8
293.12744	6.4
294.10043	1.0
294.13510	2.0
295.10779	2.6
295.14346	1.3
296.11505	3.9
297.12299	5.9
298.13034	1.5
299.13855	12.3
305.09433	0.6
307.10757	1.2
308.11627	1.1
309.12289	62.3
310.13010	3.7
311.13852	22.4
312.14325	1.2
313.11749	1.7
313.15155	0.5
319.10730	1.8
320.11447	1.4
321.12338	5.1
323.10184	0.6
324.10892	1.7
325.11780	3.3
325.15417	0.8
326.12653	1.1
327.13345	80.1
328.13812	2.8
331.16772	0.5
335.13913	0.6
336.14536	0.7
337.11752	13.0
338.12445	6.1
339.13342	11.3
340.13889	0.7
341.14984	4.8
342.15744	0.4
344.13721	0.7
353.14899	0.8
356.13614	1.3
357.14462	4.7
358.14981	2.4
359.15918	9.9
360.17261	0.5
369.14392	36.1
370.14981	2.9
371.15964	35.7
371.20767	0.7
372.16644	1.5
374.18555	0.5
376.20383	0.5
386.14905	0.5
387.16434	0.4
399.15622	0.6
402.18137	1.1
404.19669	2.3
412.16577	0.4
414.17935	1.9
416.19748	3.2
418.17334	0.9
420.19250	0.6
430.17532	3.1
432.19180	9.3
442.17599	1.7
446.20956	0.7
448.18524	12.7
450.19833	0.6
460.18594	23.2
461.19052	1.0
462.20517	0.7
472.18689	0.6
474.20145	1.6
478.19571	0.9
480.21252	41.4
481.21616	1.3
490.19586	1.3
492.21231	100.0
493.21259	2.7
506.22827	1.0
520.20953	0.5
521.20654	0.4
522.22406	2.3
523.23047	1.9
524.23596	2.9
569.27429	1.5
595.25592	3.7
613.26483	54.4
614.26648	2.4
622.23877	0.5
624.25610	0.5
627.27966	4.3
631.27856	0.6
636.25079	0.6
645.29102	41.1
646.29382	1.8
654.26300	1.6
683.26312	1.3
684.26862	2.4
685.28156	0.8
686.28320	1.1
739.29639	0.9
757.30365	1.6
774.32251	0.4
775.30426	2.3
807.33502	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5911
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	19.4
69.07053	10.3
69.61024	2.2
69.61446	1.6
71.04977	0.9
72.42674	0.5
79.05477	15.3
81.03404	2.1
81.07038	26.3
83.04942	2.7
83.08600	3.3
85.02882	0.8
85.06518	1.3
91.05462	22.3
93.07024	17.8
95.01327	2.4
95.04936	3.1
95.08583	18.3
96.68187	0.6
97.02840	0.7
97.06510	7.6
97.10146	0.7
103.05469	0.7
105.07011	27.1
106.07345	0.6
107.04253	0.8
107.04932	5.7
107.08576	8.9
109.06501	2.6
109.10133	6.2
111.08028	1.1
113.02567	0.5
117.07012	5.7
119.08559	15.0
121.06474	1.1
121.10122	7.0
123.04438	1.1
123.08034	1.6
123.11702	1.4
129.06989	0.8
131.08543	9.6
133.10104	17.0
135.08032	1.1
135.11688	5.2
137.09612	1.6
141.06985	0.6
143.08502	0.7
145.06432	1.0
145.10103	7.5
147.11629	6.2
149.09570	2.7
149.13246	2.0
157.10117	1.0
159.11674	5.1
161.13193	3.0
163.11151	1.6
163.14777	0.5
165.09058	0.8
165.12773	0.5
169.10130	0.9
170.87094	0.5
171.11717	1.3
173.13249	2.2
174.41086	0.5
175.14749	0.5
177.12706	1.2
179.14258	5.7
183.11644	0.6
187.11176	1.5
197.13304	0.6
219.17406	8.9
230.92276	0.4
239.17899	0.9
247.20616	1.2
257.19025	2.1
261.22394	0.8
275.20013	22.9
287.95996	0.5
293.20944	0.8
335.25723	22.8
336.26245	1.2
349.23654	15.7
609.45013	100.0
610.45197	7.9
627.46417	1.2
628.37701	0.5
635.65002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	52.0
69.03416	9.2
69.07058	26.3
71.01337	1.2
71.04980	6.5
71.62204	2.2
73.02893	2.2
77.03880	1.1
79.05482	50.1
81.03407	75.2
81.07046	59.7
83.04977	10.4
83.08131	1.7
83.08604	28.1
85.02889	10.7
85.06531	4.5
86.09665	0.9
87.04457	1.9
89.39104	0.9
91.03941	3.4
91.05466	47.6
93.02202	0.9
93.07030	46.6
95.04343	2.0
95.04953	34.4
95.08595	26.5
97.02879	7.8
97.06506	11.9
97.10162	18.2
99.04470	2.3
99.08063	3.4
103.05466	1.5
105.07016	41.4
107.04939	13.8
107.08582	36.0
109.02869	2.3
109.06490	10.5
109.10141	21.0
111.04408	3.1
111.08062	10.3
113.05963	1.2
113.09614	1.2
115.05416	2.3
117.07002	17.8
119.04912	2.6
119.08565	33.4
120.08833	1.5
121.06496	10.4
121.10122	17.6
123.04413	2.6
123.08073	6.6
123.11666	4.7
125.05985	1.4
125.09611	14.8
127.03887	2.8
128.06128	2.1
129.05510	1.8
129.06978	14.4
130.07773	0.8
131.04921	2.1
131.08545	25.9
133.06462	5.7
133.10106	23.6
135.08018	6.9
135.11678	13.5
137.05954	1.3
137.09615	5.1
139.07500	1.2
139.11139	1.6
141.06960	3.1
142.07744	3.2
143.08542	9.7
145.04892	1.2
145.06476	4.1
145.10104	15.2
147.04373	1.8
147.08005	6.1
147.11667	16.1
149.09610	13.6
149.13249	7.5
151.11171	4.1
153.09111	2.2
153.12721	1.8
155.08539	3.0
157.06509	1.3
157.10104	14.5
159.08073	2.7
159.11668	11.1
161.05997	1.3
161.09538	4.5
161.13240	3.9
163.03940	1.1
163.05984	1.1
163.11150	11.1
165.12755	3.6
167.08612	2.0
167.10602	1.1
169.10097	5.1
171.08026	1.5
171.10251	1.7
171.11650	5.3
173.04451	2.4
173.05962	1.5
173.09579	3.1
173.11710	2.7
173.13249	4.9
175.11157	10.2
175.14780	1.6
177.12723	3.8
179.14331	1.8
181.10086	1.8
181.12239	1.4
183.08189	1.0
183.10236	1.0
183.11609	5.2
184.07367	1.6
185.09436	1.0
185.13240	3.2
187.11137	3.4
187.13213	1.0
187.14821	1.2
189.11182	7.3
189.12692	2.1
191.10747	1.6
191.14293	1.4
193.10359	2.1
193.12198	24.7
195.11694	1.5
195.13765	1.5
197.09610	1.3
197.13226	2.2
197.86383	0.9
199.11214	1.5
199.13168	1.4
199.14836	1.4
201.12666	2.0
203.14272	2.1
205.10153	1.1
205.12161	1.8
207.13681	1.1
209.11699	2.6
209.13402	1.3
211.13118	4.5
213.12791	1.8
215.14316	1.5
217.15843	1.7
219.13680	1.2
223.13170	2.4
225.14728	1.1
227.12721	16.8
229.14244	7.8
229.19331	1.7
231.17537	1.0
235.13290	2.6
239.17899	1.4
243.15831	1.9
245.13651	1.9
247.20668	1.1
249.14873	3.4
251.16441	1.3
253.14307	2.4
255.15775	10.7
257.19003	3.8
259.13239	1.4
267.15884	80.0
269.17450	19.0
273.14825	4.0
273.18408	3.1
275.16919	1.6
275.19992	19.5
283.15363	3.8
285.16946	2.0
291.19400	7.6
293.21112	2.7
297.22147	1.5
299.19995	2.0
301.13840	1.8
301.16760	2.2
309.16974	2.1
313.21729	1.3
315.23224	1.5
317.15784	1.3
317.21063	1.2
329.21375	1.0
331.22720	2.2
337.21289	0.9
349.23663	24.1
351.23267	1.3
355.22452	1.5
365.23114	5.2
367.24945	4.9
369.24231	2.9
373.23764	2.1
375.17917	1.6
387.25177	2.4
389.50897	1.0
403.24734	1.9
419.24045	2.5
421.25925	8.6
429.26227	1.7
431.29279	2.6
435.27347	3.4
437.25131	3.2
439.26700	1.8
443.27884	8.3
444.28143	1.1
447.27365	31.8
449.30219	3.1
459.27451	4.3
461.28931	100.0
462.29312	4.5
467.31592	6.1
469.28085	1.0
477.28281	4.0
479.29974	2.0
485.32886	1.6
493.31827	12.9
501.32086	2.5
503.29947	3.5
513.35638	1.7
519.33057	4.6
523.34174	6.0
531.36890	1.6
541.35199	90.4
542.35687	4.3
557.30133	1.6
559.36212	43.0
560.36554	1.7
569.30823	3.5
573.37292	3.8
581.29944	1.5
583.36462	4.9
587.32269	5.9
591.38745	4.8
601.38031	1.4
605.32428	2.9
609.35400	1.6
637.36847	1.1
649.37079	2.4
667.37933	3.4
685.39014	2.3
703.40417	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	968.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	85.7
68.05833	1.9
69.03418	13.2
69.07053	24.9
71.04975	13.1
71.63061	3.2
71.67350	1.8
72.88167	1.8
73.02895	5.4
79.05475	73.9
81.03400	86.6
81.07042	81.9
81.07439	1.3
83.04967	18.5
83.08604	27.7
85.02892	17.0
85.06529	6.5
87.04457	7.3
88.13383	1.8
91.03928	4.5
91.05463	75.7
93.07025	72.7
95.04957	41.5
95.08588	44.8
97.02871	13.9
97.06510	12.9
97.10154	16.5
99.04437	4.7
99.08081	5.8
103.05435	3.9
105.07010	67.1
107.04915	12.0
107.08575	46.9
109.02867	3.6
109.06493	11.3
109.10136	45.2
111.04430	4.5
111.08079	11.7
115.05447	5.1
117.07005	30.1
119.08559	52.3
120.08887	2.2
121.06503	9.8
121.10128	33.9
121.10995	1.9
123.04391	3.3
123.08040	11.2
123.11700	7.3
125.09620	18.6
127.03853	7.0
128.06201	5.0
129.05490	3.4
129.06985	23.7
131.07579	3.0
131.08542	42.7
133.06479	5.0
133.10103	41.1
135.08018	8.0
135.11705	14.8
137.05956	2.1
137.09593	8.1
139.11156	2.0
141.06966	7.9
142.07771	5.7
143.08543	18.2
145.04910	4.5
145.06458	5.7
145.10092	31.5
147.08025	8.3
147.11656	29.2
149.09563	17.8
149.13266	8.4
151.11073	3.5
153.09099	3.4
155.08519	10.5
157.06470	2.9
157.10126	21.0
159.08003	3.5
159.11655	25.5
159.12862	2.6
161.09612	7.2
161.13240	8.2
163.06024	2.1
163.11107	10.1
165.12704	4.1
167.08517	4.1
169.10074	8.3
171.08005	4.1
171.10185	3.4
171.11621	20.0
173.09608	5.4
173.11722	8.8
173.13255	13.6
175.11162	12.9
175.14774	4.5
177.12770	6.7
179.14258	1.9
181.10135	3.6
183.08028	2.3
183.10225	2.0
183.11618	9.6
185.13239	9.5
187.14841	5.0
189.11188	9.0
189.12695	2.8
193.12212	24.7
195.11737	4.8
195.13728	2.8
197.13261	6.3
197.15283	1.8
199.14821	6.8
203.14326	2.7
207.11702	2.0
209.13232	4.6
211.11354	2.2
211.13281	7.3
211.14984	2.3
215.14343	2.4
217.15839	3.0
219.08023	1.9
221.13229	1.9
223.13121	3.8
225.14774	4.8
227.12706	15.1
229.14276	23.8
233.15329	2.9
239.17926	2.7
241.19528	5.2
243.15800	2.7
249.14729	2.7
257.18997	7.2
259.20535	16.2
267.15860	71.1
269.17355	15.3
271.20694	2.4
273.18552	3.3
275.20053	15.6
284.87335	1.9
285.16971	3.9
287.19974	2.5
293.21140	3.2
297.22025	3.2
299.23685	4.7
311.19821	1.9
313.21503	3.7
315.23242	2.5
329.21072	3.1
331.22522	2.2
333.24335	9.5
337.21548	2.3
349.23743	18.4
351.23209	3.9
369.24051	6.4
387.25131	4.6
405.25970	3.5
417.26395	2.2
421.25763	16.6
433.30533	6.7
435.27335	9.1
439.26288	2.2
443.27826	11.8
447.27264	6.2
449.30261	3.1
451.31912	6.7
461.28995	48.8
467.31470	3.3
469.33224	2.8
473.28934	4.2
475.30539	2.2
487.34314	3.1
493.31622	16.9
501.31747	2.9
504.34375	2.3
507.34543	3.2
511.32767	2.0
523.34344	3.6
525.35602	37.7
526.36456	2.6
533.68079	2.1
534.91974	2.2
541.35266	29.6
542.35895	2.5
543.36707	100.0
544.37366	4.2
557.38531	8.3
559.36127	9.0
567.36737	2.7
573.37482	5.9
575.39301	17.8
591.38416	3.0
669.39697	4.0
705.41479	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	968.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
68.66924	0.9
69.03416	13.2
69.07056	48.7
71.01320	3.3
71.04985	10.1
71.08597	1.2
71.40605	1.0
71.61707	1.0
71.62115	2.4
73.02910	8.3
77.03869	1.3
78.04697	1.0
79.05477	64.8
81.03405	36.9
81.03817	0.8
81.03893	1.3
81.07043	74.5
82.04187	5.4
83.01292	1.3
83.04967	21.7
83.08141	1.3
83.08604	25.0
84.02110	1.0
84.05737	1.4
85.02892	24.0
85.06522	6.8
87.04445	2.2
90.49933	1.1
91.03940	8.8
91.05463	72.7
92.06223	1.3
93.07026	63.6
94.04214	1.3
94.07800	1.5
95.04955	34.4
95.08588	47.2
96.05707	2.3
97.02869	17.0
97.06503	23.0
97.10155	23.1
98.07320	7.1
99.04432	3.6
99.08054	2.9
103.05437	3.2
105.04467	2.5
105.07014	50.7
106.29882	1.0
107.04942	19.7
107.05610	2.3
107.08574	38.4
108.05695	1.6
109.02847	4.3
109.06504	9.3
109.10137	59.3
111.04425	5.9
111.08059	12.4
113.05974	3.1
115.03960	1.6
115.05421	2.3
116.04684	9.2
117.05501	1.5
117.06995	17.1
119.08559	41.4
121.06483	9.6
121.10126	21.0
123.04404	3.0
123.08037	15.3
123.11685	5.6
125.06002	2.1
125.09602	26.0
126.15813	1.1
127.03895	6.4
127.07552	1.2
127.11163	1.7
128.06184	2.5
129.05467	29.1
129.06950	12.9
130.07764	2.1
131.08537	24.7
133.06465	5.4
133.10114	26.5
135.08023	8.8
135.11667	18.2
136.08772	2.2
137.09599	17.6
137.10582	2.0
139.07483	1.5
139.11185	2.1
141.06978	3.4
141.09090	1.7
142.07687	2.1
143.07057	6.2
143.08525	7.9
143.10634	2.5
145.04927	3.8
145.06433	2.3
145.09007	2.1
145.10092	23.6
147.08026	7.1
147.11664	16.6
148.12238	1.3
149.09593	27.7
149.13234	4.2
151.07574	1.3
151.11134	7.6
153.09090	4.0
153.12682	2.0
155.08528	2.6
155.10614	4.2
157.08580	11.2
157.10088	11.6
158.05737	1.8
159.11684	15.0
161.09599	4.8
161.13197	6.9
163.05995	2.6
163.11174	17.0
165.09189	1.7
165.12686	3.5
167.10637	3.2
169.10110	3.7
171.06496	2.6
171.10158	5.1
171.11668	4.1
173.04373	3.3
173.09581	1.6
173.10063	1.3
173.11710	19.5
173.13231	4.7
175.11168	9.5
177.12735	4.6
179.14268	4.5
181.12216	3.9
183.11688	2.8
184.07295	1.5
185.08072	2.3
185.09576	1.3
185.11688	2.0
185.13219	2.0
187.11179	1.6
187.13229	3.2
187.14752	2.4
189.11197	11.2
189.12709	1.9
191.10611	2.4
192.11444	1.4
193.12198	13.5
197.13304	1.5
199.09612	1.5
199.13237	15.1
199.14896	1.7
200.14017	2.5
201.12866	1.1
201.14705	1.6
203.14342	1.4
203.18010	1.2
205.12239	2.3
207.13837	1.3
209.11716	8.8
210.12427	2.2
211.13190	9.8
211.14883	1.3
213.11099	1.8
213.16365	1.2
223.13260	3.4
225.11089	1.7
227.12738	18.5
227.17821	1.5
229.14311	35.6
229.19374	2.5
239.17952	1.6
241.14566	1.1
243.15947	5.0
247.20752	1.8
253.14352	7.0
255.15752	11.6
257.18964	5.6
259.20627	1.2
263.20111	1.7
265.14261	1.7
267.15887	14.5
268.16202	1.2
269.17413	5.2
273.18466	8.2
274.19254	2.3
275.20041	31.2
281.13965	1.2
283.15317	11.1
284.16086	2.6
285.16809	9.6
291.19501	16.8
293.20996	3.1
301.16400	57.2
311.18219	1.5
331.22528	1.5
347.22040	2.0
349.23642	32.6
365.23187	9.5
371.24503	1.2
373.18335	1.6
383.24039	2.9
397.22073	3.4
409.26050	2.6
421.25903	3.0
423.27612	1.6
425.25519	1.6
435.27420	1.9
437.25314	2.3
439.26843	4.4
447.27179	1.4
455.26279	19.1
469.27603	3.6
477.28845	2.3
479.30109	6.6
481.27945	2.9
495.29797	1.4
503.33255	3.7
511.28928	2.6
519.32898	3.0
523.28375	1.8
539.33228	1.8
541.34985	3.6
557.34473	3.9
575.35699	42.7
575.44781	2.5
576.35986	2.2
591.34949	3.4
593.36792	10.2
609.36005	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	964.6183
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05175	3.5
67.05497	44.8
69.03405	8.3
69.07057	22.5
70.04834	1.9
71.04982	2.8
71.08622	23.9
71.12932	5.0
73.02885	2.7
76.40668	2.5
79.05065	2.2
79.05480	25.7
81.03411	6.1
81.07047	40.9
83.04959	7.1
83.08620	18.6
85.02904	14.0
85.06556	3.3
85.10159	14.9
86.29229	2.0
91.03958	3.3
91.05466	25.5
91.75121	1.9
93.07034	35.4
95.04945	7.3
95.08599	31.6
97.02884	6.0
97.06513	9.0
97.10152	15.8
97.45804	2.9
98.85255	2.3
105.07006	21.8
105.57072	2.2
107.04913	5.0
107.08583	29.6
109.02832	2.2
109.06477	6.0
109.10129	20.7
111.08066	3.7
111.50095	2.1
115.05440	2.3
117.06998	9.2
117.80418	1.9
119.08576	16.1
121.10126	10.2
123.08058	2.1
123.11707	4.8
125.09590	11.4
127.03899	4.8
129.07005	6.3
131.08501	12.4
133.10081	18.9
135.08064	2.8
135.11652	9.3
143.08549	4.0
145.04947	3.7
145.10101	18.8
147.11662	8.0
149.09589	8.4
149.13239	3.5
157.10080	4.0
159.11639	11.2
161.09593	2.4
161.13210	4.7
163.11143	6.3
169.10101	2.8
171.11646	3.4
173.13216	4.2
179.14209	2.5
185.13184	3.5
189.11279	5.4
217.15799	2.5
227.12697	20.2
229.14229	4.4
239.18011	3.8
239.23589	5.1
247.20695	2.2
255.15735	11.6
257.19067	11.2
257.21454	2.3
269.17416	18.3
275.20020	36.9
293.21185	3.8
313.27316	100.0
314.27652	3.2
331.22650	4.9
349.23727	48.8
367.24704	4.3
384.01440	2.4
390.67102	2.1
467.37149	8.1
483.36978	5.5
493.39142	10.9
507.40350	37.2
547.43567	4.4
569.44916	2.9
587.46588	89.3
588.46796	4.2
605.47400	14.2
749.51965	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	967.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05466	1.4
69.03421	10.2
71.04970	0.8
71.62749	1.2
73.02881	2.7
79.05448	0.8
80.04995	0.9
81.03407	3.8
81.07026	1.0
83.01309	0.6
85.02888	10.6
87.04415	2.1
91.05466	0.8
93.05740	1.8
93.07032	0.8
94.06551	4.2
95.04926	1.1
96.08093	1.1
97.02871	6.1
99.04460	0.6
105.07005	1.0
108.08105	22.2
109.02832	2.0
110.09646	1.2
118.06487	1.0
120.04369	0.8
120.08089	5.2
122.06010	10.6
122.09621	2.0
123.04316	0.7
124.07574	3.1
125.05956	0.7
127.03871	2.3
134.06010	1.3
136.07559	56.9
138.09106	2.7
144.04390	0.8
146.05965	2.2
147.04366	2.0
148.07549	7.6
150.09158	3.1
152.07031	5.1
160.03926	1.5
160.07582	1.0
162.05469	1.7
163.16634	0.6
164.07021	7.4
166.08595	9.6
168.10141	0.7
172.03886	9.2
172.05203	1.0
174.09094	1.5
175.25581	0.6
176.06949	0.7
177.05490	0.9
178.04939	0.6
178.08594	1.1
181.05011	0.7
184.22305	0.6
190.04953	2.2
194.07935	0.6
196.41640	0.6
197.10687	1.1
199.08620	1.5
202.08557	0.7
204.04678	1.2
204.06540	18.3
211.08600	3.2
211.12288	1.8
212.09377	0.9
213.10217	2.9
221.10664	0.8
223.08630	8.3
223.12218	2.3
224.12979	0.8
225.10194	9.7
225.13792	1.1
226.10872	3.4
227.11754	3.3
229.13249	1.0
235.08507	1.9
235.12408	1.1
236.09471	0.9
237.10190	7.8
237.13901	1.9
238.11009	4.8
239.08177	4.6
239.11736	11.0
240.12592	1.7
241.09654	1.6
241.13353	0.9
247.12315	0.9
249.10248	5.7
250.10930	5.1
251.08104	7.0
251.11772	12.9
252.12492	2.3
253.09714	9.4
253.13283	5.2
254.10464	4.8
255.11307	1.9
255.14839	1.4
262.11029	1.4
263.07941	0.7
263.09109	0.9
263.11783	7.3
264.08926	0.9
264.12427	2.6
265.09729	8.5
265.13342	13.5
265.15933	1.1
266.10486	3.8
266.13785	3.0
267.08124	1.0
267.11264	7.6
267.14844	1.8
268.12137	0.7
269.09247	0.8
269.12869	2.5
271.10709	11.9
271.13443	1.1
277.09760	2.7
277.13226	0.9
278.10635	2.1
279.11261	9.9
280.08734	0.8
280.11938	1.2
281.09613	1.0
281.12811	9.9
282.10248	0.9
282.13403	1.0
283.10760	13.4
283.14328	2.7
284.11453	2.9
285.12280	13.9
286.12964	1.7
287.13943	1.1
291.11206	4.8
292.11844	1.0
293.09558	0.8
293.12778	14.2
294.13312	0.9
295.10779	3.9
295.14114	0.8
296.11609	2.8
297.12323	8.8
298.13040	3.4
299.13828	7.5
300.11307	0.7
300.14691	1.2
302.12823	1.6
305.09155	1.0
307.10751	2.1
309.12268	13.4
310.13077	0.9
311.13858	20.3
312.14752	1.2
313.11859	1.7
313.15439	1.4
314.12946	2.4
315.13577	1.8
316.14438	3.9
318.16129	1.1
319.10895	3.5
319.14160	0.9
321.12268	4.1
323.10202	3.4
323.13959	2.7
325.11801	3.8
325.15479	4.6
326.12750	1.2
327.13339	33.1
328.14368	4.8
329.11710	1.4
329.15332	1.6
330.12427	1.1
330.15924	3.5
332.17575	1.2
337.11819	7.6
339.13345	11.4
339.16910	1.0
340.14542	1.8
341.11398	1.6
341.15097	2.7
342.12308	2.3
342.16061	2.6
343.13120	2.4
343.16907	0.8
344.13904	2.5
344.17612	1.8
346.15274	1.5
351.13525	2.5
353.15149	1.8
354.15814	1.6
355.12677	4.3
356.13849	4.5
356.17450	1.2
357.14603	4.6
358.15442	5.8
358.19131	1.0
359.16071	4.5
360.13312	1.3
360.17194	1.2
367.12839	1.4
368.13998	1.1
369.14478	8.2
370.15469	3.9
371.15991	14.6
372.17151	3.0
374.14493	3.3
374.19128	0.9
376.16528	2.0
382.15494	1.2
383.16565	1.2
384.13184	1.4
384.17438	1.2
386.14569	1.0
386.18866	1.4
387.15622	1.2
388.16418	4.0
388.20789	1.1
390.18112	2.8
398.14664	1.8
398.19290	1.1
399.15756	1.0
400.16159	1.1
401.17160	1.0
402.14084	1.4
402.18207	2.0
404.15472	1.0
404.20087	1.0
406.17670	2.6
412.16513	1.5
414.18109	2.8
416.15167	3.5
416.20361	1.8
417.16541	2.1
418.16769	3.5
418.22156	1.1
420.19153	2.5
428.19690	2.0
430.17606	3.8
432.19186	3.3
434.16663	9.5
442.17480	1.5
444.19403	7.1
446.21408	3.9
448.18585	8.9
449.19373	1.5
454.17987	1.1
458.16763	1.2
460.17953	3.6
462.20200	8.3
470.17139	1.2
472.18503	4.5
474.20294	4.1
476.21808	2.4
478.19867	0.8
480.21460	3.6
488.18362	1.7
489.18799	1.1
490.19662	18.1
492.21143	7.6
494.23190	1.9
504.21289	4.5
506.22903	3.8
520.20709	9.7
521.21863	1.0
522.22314	22.8
558.06714	0.7
568.23199	1.4
577.24567	0.9
593.23596	1.4
595.25598	6.2
596.22406	6.2
611.24835	10.1
625.26532	1.2
627.27948	13.4
638.27325	5.4
643.17029	1.1
643.27521	19.5
650.23352	1.6
651.24969	0.8
652.24933	1.3
682.25964	33.3
683.26929	6.6
684.27509	59.4
685.27802	2.0
693.75696	0.8
773.29974	6.8
777.33441	2.2
787.31158	0.9
805.32782	100.0
806.32928	2.6
844.31635	3.0
845.31714	2.0
846.32690	19.0
939.39410	0.8
967.37946	56.1
968.37769	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6185
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	42.1
69.03420	7.2
69.07057	21.6
70.80279	2.3
71.01340	1.5
71.04979	3.8
71.08621	26.2
73.02895	2.9
79.05478	24.6
81.03403	11.0
81.07042	53.2
82.07382	1.1
83.04968	7.8
83.08607	16.1
85.02898	12.1
85.06522	1.5
85.10159	13.8
91.03945	4.8
91.05457	24.2
93.07026	35.3
93.83805	1.1
95.04928	6.6
95.08594	38.5
97.02882	8.9
97.06507	9.5
97.10147	9.3
97.75652	1.2
98.64383	1.2
99.04417	1.5
99.08076	3.2
105.07013	20.3
107.04935	5.1
107.08578	19.5
109.02888	3.3
109.06527	3.7
109.10136	15.9
111.04440	1.7
111.08077	4.7
111.11713	1.3
112.57608	1.1
117.07004	10.8
119.08572	15.1
121.06481	3.0
121.10134	11.6
123.04411	1.2
123.08044	3.8
123.11691	6.1
125.09646	1.9
127.03898	4.7
129.05453	1.4
129.06981	3.6
131.08548	11.8
133.06378	1.2
133.10124	15.9
135.08037	4.1
135.11667	10.0
137.09598	2.8
137.13217	1.7
143.08542	3.3
145.04916	1.7
145.10091	10.2
147.11690	5.8
149.09608	9.4
149.13246	8.7
151.11160	2.0
155.08527	1.4
157.10121	3.6
159.11668	9.9
161.13196	2.0
163.05992	1.7
163.11160	4.7
169.10162	1.7
173.04521	3.4
173.13266	3.0
177.12738	3.8
179.14308	2.1
184.50520	1.2
192.36932	1.1
195.13826	3.9
201.12718	1.3
203.14388	1.5
208.27925	1.2
217.15784	1.2
227.12772	3.5
229.14537	1.8
239.17868	1.9
239.23724	3.5
247.20412	1.8
248.05209	1.3
255.15866	11.8
257.18997	6.0
257.24799	1.7
267.15897	1.9
269.17416	33.6
269.20123	2.2
270.17603	1.5
275.20050	21.4
291.19571	1.5
293.20908	1.3
309.20584	2.0
313.27310	88.6
314.27661	4.3
339.18121	1.4
349.19669	2.3
349.23682	24.1
350.23880	1.4
367.24780	4.2
413.21664	3.6
467.37363	2.9
483.36517	1.3
493.38882	20.5
507.40381	100.0
508.40866	6.8
511.28836	1.2
547.43726	5.5
569.44873	1.4
587.46619	37.4
588.46674	2.9
605.47687	14.3
651.43958	3.4
749.51282	3.1
750.50970	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	956.6288
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	90.8
69.03410	2.1
69.07058	36.5
71.04957	2.3
71.08591	2.2
71.62670	2.2
71.63029	1.5
73.02905	8.0
79.05482	47.0
81.03394	2.7
81.07047	100.0
83.04947	2.3
83.08607	21.7
85.02895	26.8
85.06553	2.5
85.10167	1.4
87.87555	1.3
91.03948	18.9
91.05455	32.4
93.07030	58.0
94.07355	1.7
95.04942	6.6
95.08593	88.2
97.02889	13.7
97.06506	6.4
97.10136	11.2
99.08071	2.8
105.07018	26.7
107.08579	33.4
109.06496	2.5
109.09452	2.4
109.10146	35.2
110.10493	1.4
111.08039	4.1
111.11704	3.4
115.81012	1.6
117.06976	8.9
119.08575	22.3
121.09300	2.4
121.10125	32.0
121.10994	1.7
123.08047	2.5
123.11707	13.7
125.09664	2.9
127.03941	7.5
131.08572	14.4
133.10127	21.4
135.11685	21.4
137.09608	1.9
137.13242	4.4
139.11142	1.9
141.99178	1.7
143.08591	1.5
145.04929	5.9
145.10144	10.9
147.11642	15.8
149.13245	12.8
151.14777	2.0
157.10045	2.3
159.11647	8.9
161.13242	10.9
163.05978	12.2
163.14832	8.7
171.11629	2.1
173.13260	8.5
175.14783	5.2
177.16342	3.2
177.91443	1.4
185.13168	1.8
187.14806	4.1
192.17778	1.3
199.14790	2.0
201.16324	2.8
203.17935	1.6
233.22585	2.4
243.20972	6.8
245.22586	3.5
259.20480	4.5
261.22110	23.6
263.23657	3.7
317.24564	2.7
333.24155	5.6
335.25745	85.8
336.25958	2.2
337.27322	88.8
339.28851	7.6
523.44647	3.9
545.41992	1.6
597.48730	45.9
598.48785	1.8
615.49756	59.1
616.50201	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	954.6131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	52.8
69.03413	1.9
69.07058	13.0
69.93216	2.5
71.04973	1.3
71.08588	0.9
73.02904	3.7
79.05481	33.3
81.03397	1.9
81.07044	54.7
82.31717	0.4
82.53742	0.4
83.04970	1.7
83.08605	6.6
85.02893	14.7
85.06532	1.8
91.03393	0.7
91.03947	11.5
91.04874	0.6
91.05463	20.3
93.07030	42.2
95.04961	3.9
95.08591	44.4
96.04480	1.0
97.02876	8.1
97.06501	2.2
97.10143	3.1
98.20753	0.4
99.04466	0.9
99.08031	0.9
105.04540	0.7
105.06294	0.6
105.07011	18.3
107.08573	22.3
109.02902	0.5
109.06525	1.4
109.10136	21.1
111.08065	1.5
111.11662	0.7
113.09658	0.7
115.03917	0.7
115.24454	0.4
117.06997	6.6
119.08557	14.2
121.10125	19.0
122.10426	0.5
123.08066	1.3
123.11700	9.0
125.09558	1.2
127.03885	4.9
129.06992	2.2
131.08543	11.4
133.10114	14.3
135.08072	0.7
135.11670	15.4
135.12697	0.8
137.09619	1.2
137.13248	2.6
143.08563	1.9
145.04945	6.1
145.10097	10.7
147.11667	10.8
149.09639	0.6
149.13223	9.1
151.11154	0.8
151.14783	0.7
155.08463	0.5
157.10095	2.0
159.11664	9.3
161.13237	8.8
163.05995	7.6
163.11189	0.7
163.14809	4.9
165.12746	0.6
169.10069	0.7
171.11659	2.7
173.13237	7.5
173.14658	0.6
175.14806	4.3
177.12770	0.8
177.16344	1.4
179.14182	0.6
183.11702	0.6
185.13225	2.0
187.14763	3.9
189.16342	1.4
199.14810	1.8
201.16351	1.3
203.14374	0.5
203.17924	0.8
205.15891	0.7
213.16408	1.0
215.17896	0.7
219.17445	0.7
231.21086	1.1
233.19095	0.8
233.22466	0.6
239.18005	0.4
241.19537	4.0
243.21062	4.8
245.22629	0.8
247.20607	0.7
255.19283	0.6
257.19055	0.5
259.20544	10.9
261.22107	17.3
263.23694	2.2
267.19440	0.4
273.21964	0.6
277.21494	0.8
279.23145	1.2
283.00180	0.5
283.22949	0.5
289.21448	0.5
293.20432	0.5
299.23639	1.1
313.25055	0.5
315.23239	1.1
317.24689	3.3
319.22690	0.5
321.24380	0.6
333.24182	8.7
335.25745	100.0
336.26123	3.3
337.27310	14.0
338.27921	0.6
353.27151	0.6
361.27048	0.5
369.31479	0.6
489.36093	1.0
503.36639	1.0
503.43130	0.9
517.38715	0.8
521.43475	3.2
531.40338	0.7
539.44556	1.9
543.40326	1.1
595.37305	0.5
595.47064	19.7
596.47241	1.6
613.48145	30.1
614.48315	2.1
620.22974	0.5
635.42194	0.5
819.90820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	100.0
69.03416	13.7
69.07057	48.0
69.44678	6.1
69.45093	1.4
71.01340	2.2
71.04984	9.9
73.02903	7.8
73.06540	0.8
77.03900	1.3
79.05478	70.3
80.06252	0.8
81.03403	77.9
81.07043	79.7
82.04181	1.1
83.04967	29.0
83.08603	34.3
85.02889	39.3
85.06531	6.0
87.04445	1.4
88.98352	0.7
91.03953	9.3
91.05463	94.2
92.05760	1.4
93.07024	65.9
95.04951	46.3
95.08588	49.0
97.02868	15.4
97.06512	27.5
97.10152	16.6
98.07339	1.0
99.04452	4.0
99.08082	3.3
103.03977	0.9
103.05453	3.0
105.04504	1.3
105.07011	64.7
107.04935	22.2
107.07848	1.9
107.08573	33.8
109.02878	3.5
109.06496	12.4
109.10131	39.7
111.04413	4.5
111.08055	17.8
113.05985	2.2
113.09637	2.0
115.03900	1.1
115.05466	3.2
116.04704	2.3
116.06249	0.9
117.06996	17.1
119.04922	1.5
119.08558	50.8
121.06477	9.0
121.10119	23.5
123.04397	1.7
123.08039	9.9
123.11671	5.5
125.09604	12.7
127.03876	6.3
127.07567	0.9
128.06178	2.1
129.05510	6.7
129.06976	19.0
129.73087	0.8
130.07727	1.3
131.08540	32.8
133.06450	7.2
133.10107	40.6
135.04318	1.1
135.08017	5.6
135.11673	12.8
137.09584	16.4
137.13225	1.3
139.07561	1.9
139.11176	2.8
141.06973	2.5
142.07738	4.7
143.06998	1.8
143.08556	3.9
145.04948	3.5
145.06409	1.3
145.10083	19.8
146.10930	1.1
147.08037	6.3
147.11661	31.8
149.05943	1.1
149.09595	29.6
149.13226	5.1
151.11157	4.8
153.09082	1.7
155.08585	3.9
155.10651	2.8
157.08643	3.7
157.10088	24.7
159.08163	1.3
159.11659	12.3
161.09598	3.7
161.13231	6.5
163.05989	2.9
163.07521	0.9
163.11151	15.1
165.09134	1.9
165.12755	6.0
167.10635	1.5
169.10098	2.2
171.10133	2.1
171.11671	5.4
173.04436	2.2
173.09599	1.5
173.10289	1.0
173.11708	10.9
173.13243	5.8
175.11148	23.5
177.09073	1.0
177.12762	4.5
179.10652	1.5
179.14265	3.7
181.08469	1.2
181.12247	1.7
183.11662	4.0
184.07307	0.9
185.09682	1.0
185.11739	1.4
185.13255	2.4
187.11220	2.6
187.13248	1.2
189.11197	6.4
193.12207	58.6
195.13791	3.2
197.13251	2.6
199.13258	2.7
199.14876	1.3
200.14108	1.5
201.12769	1.5
203.14296	1.1
205.12161	1.1
207.13792	0.8
209.11604	1.2
211.13251	76.5
212.13629	0.9
215.17912	1.2
219.13799	1.3
223.13254	2.7
227.12718	13.9
227.17917	1.5
229.14290	17.3
229.19475	2.3
239.17932	2.8
243.15869	3.4
245.19002	1.3
247.20567	2.5
249.14795	2.0
253.14258	2.8
253.17960	1.1
255.15672	5.3
257.18967	8.7
259.20505	1.5
263.20068	1.1
267.12924	2.0
267.15851	39.1
269.17499	5.0
270.29733	0.9
273.18356	6.5
274.19196	1.7
275.20016	37.6
279.15906	1.7
283.15393	3.1
285.16922	63.1
291.19513	10.5
293.20972	4.0
299.14859	2.7
301.16425	13.9
313.21570	1.5
329.20865	0.9
331.22659	2.5
347.22321	1.9
349.23669	48.4
363.21613	1.5
365.23080	6.2
367.24771	1.6
373.18674	2.1
381.22534	4.8
383.24518	1.2
385.18430	0.9
403.24860	1.1
409.25577	0.9
419.24316	1.2
421.25806	11.4
421.31030	1.2
423.27328	2.8
435.27335	2.4
439.26819	47.5
445.29422	1.7
447.27570	3.9
453.28397	5.8
455.25940	1.1
461.28757	2.3
463.30746	5.9
465.28452	3.5
469.27307	0.9
471.25824	1.5
477.28351	2.4
479.30075	6.4
495.29349	3.5
507.29376	1.5
513.35748	1.0
523.34039	1.6
539.33502	1.6
541.35187	27.4
557.34802	6.3
558.35687	2.2
559.36206	57.5
560.36719	2.3
575.27197	1.3
575.35693	19.3
576.36023	1.5
577.28998	1.2
577.37231	9.8
583.30499	2.0
593.36536	2.8
952.52271	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	88.1
69.03419	18.8
69.07058	58.5
69.40935	10.4
70.07393	1.1
71.01337	2.7
71.04987	10.3
73.02902	8.2
73.06514	1.1
74.19726	1.2
77.03925	1.3
79.05482	78.0
80.05833	1.2
80.06289	1.2
81.03407	32.3
81.07043	81.3
82.04176	2.9
82.07330	1.1
83.01331	9.9
83.04969	26.1
83.08125	1.8
83.08604	27.3
84.05753	1.2
85.02885	27.9
85.06539	7.3
86.09672	1.1
87.04465	1.5
91.03940	12.4
91.05467	73.6
92.61918	1.1
93.07029	78.5
95.04954	34.2
95.08591	48.8
97.02878	26.9
97.06522	22.2
97.10158	21.9
98.07284	3.7
99.04446	6.0
99.08063	2.9
103.05448	3.0
105.04480	1.2
105.07015	51.8
107.04931	26.5
107.08576	47.5
109.02856	4.4
109.06514	15.4
109.10139	44.9
111.04438	6.4
111.08057	9.5
113.05997	1.2
115.05443	3.4
116.04679	6.5
116.06168	1.5
117.07000	24.6
119.04931	1.9
119.08564	44.2
121.06477	15.1
121.10128	24.4
123.04413	2.8
123.08063	21.7
123.11666	4.9
125.05989	2.2
125.09607	22.3
127.03896	9.2
127.07490	1.1
127.11181	1.7
128.06227	2.5
129.05469	18.5
129.06973	8.9
130.07733	3.7
131.04953	1.6
131.08553	26.7
133.06465	6.4
133.10107	34.4
135.04358	1.1
135.08031	11.7
135.11665	24.0
137.05962	1.6
137.09596	19.5
139.07510	2.0
139.11111	2.2
141.06944	2.3
141.09134	1.1
142.07664	1.9
143.07005	3.5
143.08514	7.2
143.10704	1.6
145.04924	3.0
145.06454	4.2
145.10106	36.1
147.08017	10.9
147.11661	14.9
149.09596	19.6
149.13214	4.5
151.11153	8.9
153.09081	2.9
153.12685	4.5
155.08499	5.3
155.10641	2.2
157.08730	6.9
157.09959	7.3
159.08034	3.9
159.11659	11.6
161.09616	8.5
161.13237	4.4
163.05995	4.1
163.11159	39.0
165.09076	4.2
165.12778	2.1
169.10089	3.3
169.12224	1.9
171.06474	1.9
171.10149	4.0
171.11665	4.6
173.04463	2.9
173.09584	7.3
173.11703	9.1
173.13248	5.8
175.11154	9.1
177.09029	1.7
177.12706	4.1
179.10663	2.3
179.14288	3.3
181.12189	7.4
183.11694	2.4
184.07289	3.6
185.13200	2.4
187.11185	2.3
187.13213	1.9
187.14761	2.1
189.11191	11.1
189.12732	2.0
191.10536	5.3
193.12193	6.9
195.13803	2.4
197.13321	1.9
199.11449	1.6
199.13225	7.7
200.13969	1.7
201.12648	1.8
205.12138	1.9
209.11696	16.4
210.12460	1.5
211.13208	7.9
223.13232	17.8
227.12729	25.3
229.14305	11.0
229.19450	2.0
239.17993	1.3
243.15903	4.2
245.19049	3.2
247.20511	2.0
249.14845	2.5
253.14314	13.4
255.15508	5.0
257.18967	4.8
261.18399	1.2
263.20071	3.6
265.14203	2.7
267.15866	13.7
269.17395	3.2
273.18472	18.9
274.18991	1.2
275.20026	25.2
279.15778	1.1
283.15366	100.0
284.15915	2.4
285.16946	4.8
291.19492	84.2
292.19772	2.4
293.21054	2.4
301.16406	54.2
302.16739	2.0
309.20319	1.4
331.22412	2.5
347.22113	6.6
349.23694	37.8
350.23978	1.8
365.23184	49.3
366.23718	1.5
373.18442	1.8
379.20984	9.6
419.24112	2.1
437.25320	61.0
438.25320	2.7
445.25586	1.2
451.26868	8.0
461.29010	7.8
463.26938	6.4
475.26477	1.3
476.27484	1.4
477.28455	8.4
479.26273	2.4
489.31924	1.4
493.27814	3.3
497.26880	1.6
505.27875	2.2
511.28531	1.4
519.33051	2.8
539.33618	5.2
555.33600	2.0
556.33563	3.1
557.34668	74.9
558.34680	3.6
573.34088	17.4
574.34637	6.5
575.35699	18.6
591.35199	77.0
592.35248	4.5
609.36169	1.8
731.32062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66667	1.9
67.05497	100.0
68.05805	1.9
69.03417	27.2
69.06715	2.4
69.07063	35.6
70.47392	1.8
71.01322	1.7
71.04984	9.1
71.62921	2.9
73.02895	6.9
73.50348	1.7
79.05482	62.0
81.03410	39.3
81.07045	91.9
82.07374	2.6
83.04965	16.8
83.08602	21.9
85.02406	3.0
85.02889	28.8
85.06522	6.3
86.09692	2.0
91.03954	10.9
91.04887	3.3
91.05467	67.9
93.07030	69.1
93.07613	3.4
95.04967	15.5
95.08595	56.0
97.02874	27.9
97.06517	17.3
97.10152	9.9
98.74025	2.1
99.04430	7.5
99.08080	4.2
101.02366	3.7
103.05471	2.6
105.04481	2.9
105.07016	63.9
107.04943	8.6
107.08580	44.7
109.02861	9.1
109.06512	9.4
109.09433	3.6
109.10140	41.2
111.04451	5.2
111.08059	6.8
115.03937	2.0
115.05431	3.3
117.07003	31.7
119.08560	49.5
121.06471	4.9
121.10129	32.7
123.04398	3.3
123.08041	8.1
123.11699	6.9
125.09600	7.6
127.03904	13.6
128.06203	6.7
129.05435	5.5
129.06998	23.2
130.07780	2.6
131.07587	3.0
131.08551	48.3
133.06479	3.9
133.10115	38.5
135.08023	7.4
135.11674	16.0
137.09573	5.7
139.03897	2.9
141.06940	10.1
142.07767	6.6
143.08559	26.9
144.09244	1.8
145.04921	2.5
145.06464	4.2
145.10104	34.9
147.08073	5.3
147.11662	26.7
149.05930	2.6
149.09584	12.1
149.13213	8.5
151.11206	3.4
153.06883	2.8
153.09085	1.9
155.08548	17.4
156.09247	3.0
157.06476	2.8
157.10112	25.6
159.08014	4.6
159.11670	31.4
160.22153	1.7
161.09636	5.0
161.13263	12.1
163.06079	2.0
163.11140	6.6
163.14871	3.2
165.06993	3.4
165.12747	3.8
167.08522	9.5
168.09300	3.3
169.10121	21.5
171.08054	2.6
171.11661	18.2
173.04453	16.1
173.09593	4.9
173.11758	4.5
173.13234	17.4
175.11104	4.0
175.14780	6.5
177.12721	4.0
179.08481	5.1
179.14192	2.0
180.09247	2.6
181.10027	11.0
182.10925	3.4
183.11650	22.4
185.13205	18.1
187.11150	2.9
187.14835	8.6
189.11087	2.2
189.12733	3.5
191.14342	2.3
193.10106	6.3
195.11713	13.0
197.09523	2.9
197.13243	16.0
199.11131	2.5
199.14813	13.2
201.12766	2.9
201.16399	5.0
203.14319	2.0
207.11690	7.0
209.13283	10.6
211.11287	2.4
211.14803	8.3
213.12714	2.4
213.16405	5.2
215.14313	2.9
217.15881	2.9
219.11711	3.8
221.13205	6.1
223.14769	4.7
225.12758	2.8
225.16437	6.3
227.14470	2.6
227.18054	3.0
229.14226	16.3
229.19556	3.4
231.20946	2.1
233.13272	2.6
235.14783	4.2
237.12602	2.7
237.16348	4.1
239.18153	2.9
241.19444	7.1
245.18869	2.2
251.17905	5.5
253.19478	2.0
257.18875	4.2
259.20532	17.9
261.22052	4.4
267.15668	2.4
269.17355	3.4
273.18738	2.2
275.20096	16.0
297.22021	3.1
301.21518	2.9
309.22061	2.6
311.23590	3.9
313.21481	2.4
315.23239	2.2
317.24750	2.0
321.21793	2.5
323.23770	3.0
327.23224	3.0
327.26913	2.6
330.19949	2.3
331.23227	2.6
333.24310	13.6
335.25983	16.3
336.26001	8.7
339.23071	3.4
341.24475	2.2
347.22208	2.3
349.23898	10.4
351.25183	1.9
367.22778	3.1
369.24194	2.7
375.25916	2.6
413.21423	3.6
435.32504	5.4
453.33591	3.2
471.34729	3.1
490.36310	3.8
495.34744	2.1
509.36011	5.8
513.35730	17.3
515.38068	11.2
525.35162	3.0
527.37268	33.3
528.36456	2.4
529.38312	3.0
533.39600	4.2
545.37750	4.5
551.41248	4.4
557.38239	2.5
558.38928	3.2
567.40723	2.2
575.38293	2.0
589.42230	4.1
590.40863	6.6
607.43506	78.1
608.42896	3.4
609.45544	2.6
625.44525	97.2
626.44403	4.5
635.38867	2.6
637.44116	3.4
649.44794	2.2
653.40259	4.2
671.41028	6.7
689.42462	13.3
697.44312	2.5
733.46100	7.9
751.47101	4.6
769.48810	20.6
787.49628	17.6
931.53705	2.8
949.54962	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	948.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	100.0
69.03419	7.9
69.07056	40.0
69.07443	1.2
69.87997	1.6
69.88408	4.5
71.01340	1.6
71.04980	5.8
73.02894	3.4
73.06537	2.3
77.03905	1.6
79.05477	98.8
80.06260	1.0
81.03407	18.0
81.07040	80.3
83.04963	20.4
83.08604	17.3
85.02888	10.4
85.06510	4.5
91.03947	5.3
91.05463	89.7
93.07023	98.1
95.04346	1.9
95.04948	36.9
95.08593	50.7
96.08910	1.3
97.02877	7.7
97.05894	1.6
97.06510	26.4
97.10149	7.3
98.20796	1.6
99.04425	1.5
99.08042	2.6
103.05462	2.5
105.04504	2.7
105.07009	66.9
107.04939	19.3
107.08575	36.6
109.02876	2.3
109.06497	11.5
109.10130	34.2
111.04414	1.3
111.08045	6.0
112.96751	0.9
115.05435	3.4
117.06992	21.0
119.04893	1.5
119.08556	47.1
121.06493	7.4
121.10120	14.4
123.04385	2.1
123.08043	11.4
123.11698	3.2
125.09628	4.8
127.03864	3.9
127.07537	1.6
128.06197	3.9
129.05441	2.6
129.06964	23.3
130.07739	1.5
131.08517	15.8
133.06453	3.6
133.10097	27.8
135.08064	4.9
135.11659	10.5
137.09586	14.1
139.03868	1.9
139.11197	1.4
141.06932	1.9
141.09053	1.6
142.07704	1.2
142.24562	0.9
143.08536	16.1
145.04990	1.1
145.06413	2.3
145.09021	2.1
145.10089	25.0
147.08064	5.3
147.11659	48.1
149.09598	20.0
149.13214	3.8
151.11133	3.1
153.09142	1.1
155.08510	3.2
156.09308	1.5
157.10062	3.9
159.11678	10.2
161.09602	6.6
161.13208	16.5
161.14432	1.7
163.11165	11.6
165.09178	1.4
167.08580	1.1
168.09323	1.3
169.10101	2.8
171.10301	1.3
171.11647	33.8
173.11685	7.1
173.13229	5.6
175.11166	3.2
175.31880	1.0
177.12727	3.8
179.14264	5.2
183.11638	2.8
185.13197	1.2
187.11093	1.8
189.11166	2.4
189.12709	13.3
193.12291	1.2
197.13303	1.2
207.13766	35.7
211.13196	4.1
217.12222	1.1
223.13084	1.9
225.14828	4.0
227.12755	5.3
229.14256	12.3
229.19368	1.6
229.79793	1.0
233.15338	1.8
239.17906	2.3
241.14410	1.2
243.06502	1.0
243.15878	3.1
247.20529	1.5
250.41103	0.9
255.15688	5.6
257.18924	5.3
267.15939	2.9
269.17435	1.7
273.15430	1.0
273.18399	5.5
274.19250	1.9
275.20013	25.3
279.15863	1.3
281.17419	68.4
285.17035	1.4
291.19525	8.6
293.21088	2.4
297.68710	1.1
331.22678	2.3
347.22070	2.3
349.23685	28.6
350.59879	1.0
365.23160	5.0
377.23004	5.8
385.76505	1.0
435.27365	79.3
436.27722	2.2
449.29037	11.3
459.30969	5.1
461.28793	13.6
465.28140	1.6
473.28958	2.0
475.30524	9.8
491.29721	3.9
503.29883	3.1
507.09344	1.2
523.35132	1.1
537.35760	2.1
555.36731	68.8
556.36847	1.5
571.36316	5.1
573.37769	10.0
579.31470	1.8
589.36920	1.9
591.31213	1.2
619.34656	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01862	0.4
67.05156	0.4
67.05495	5.4
68.99775	1.8
69.03418	1.4
69.07062	1.0
70.64357	0.8
71.01330	0.3
71.04977	0.5
73.02898	0.3
77.03925	0.4
79.05483	4.5
81.03402	7.8
81.07040	5.2
83.04976	2.8
83.08611	2.7
85.02887	3.9
86.09710	0.6
91.05460	5.4
93.03386	1.3
93.07019	2.9
95.04947	3.8
95.08595	2.3
97.02868	0.9
97.06526	0.9
97.10160	0.9
103.05444	0.7
104.40389	0.2
105.07020	3.3
107.04930	2.2
107.08577	1.7
109.02853	0.3
109.06487	0.9
109.10124	1.5
111.04420	5.5
111.08074	1.5
113.05965	0.4
115.05434	0.8
117.06996	0.8
119.04916	0.6
119.08574	3.0
121.02857	0.8
121.06462	0.7
121.10124	1.0
123.04417	4.0
123.08050	0.8
125.00001	0.4
125.09628	0.6
127.03918	1.1
128.06213	0.2
129.06993	2.2
130.72081	0.2
131.04930	0.8
131.08542	1.9
133.06493	0.9
133.10110	1.8
135.04390	1.9
135.11671	0.4
136.07541	1.1
137.05925	0.9
137.09595	0.5
139.03879	100.0
140.04210	1.4
141.05475	0.5
141.06973	0.6
142.07811	0.4
142.70695	0.3
143.08592	0.4
145.06483	1.0
145.10136	0.5
147.04385	1.6
147.08055	0.8
147.11671	1.7
149.05966	1.9
149.09569	0.9
151.03877	7.4
153.01826	0.3
153.05446	1.3
153.06976	0.8
155.04936	0.3
155.08533	0.4
157.06497	0.8
157.10081	1.9
159.04402	0.5
159.08035	0.4
159.11661	0.3
160.05185	0.3
161.05959	5.4
163.03879	39.8
163.11134	0.4
164.04243	0.5
165.05458	1.8
165.06871	0.5
165.12758	0.5
167.07240	0.3
167.08601	0.8
169.06474	0.8
169.10107	0.3
171.08054	0.5
172.03979	0.2
173.05956	9.8
173.09608	0.4
174.06372	0.3
175.03864	1.2
175.07512	1.4
175.11118	1.7
176.04646	0.4
177.05447	5.0
179.03352	1.1
179.06996	0.5
179.08487	0.4
181.04929	3.8
181.06480	1.6
183.08035	0.9
184.07318	1.3
185.05911	1.3
187.03931	2.4
187.05409	0.3
187.05789	0.3
187.07512	5.6
189.05444	1.9
189.08986	0.6
191.03381	0.6
191.06992	0.5
193.04938	0.5
193.06541	0.3
193.12216	5.8
194.07056	0.3
195.08035	1.0
197.05954	1.4
197.09645	0.4
198.06624	0.4
199.07501	5.2
200.04747	0.5
201.05455	2.8
201.09070	2.2
203.03391	0.3
203.06978	0.8
205.04918	8.1
205.12183	0.4
207.08063	0.5
209.05888	0.5
209.09561	0.6
210.06758	0.5
211.07492	3.2
211.13252	8.9
213.05501	2.1
213.09035	2.5
215.06987	1.0
217.04886	1.2
219.06349	0.4
221.09602	0.3
223.07503	1.6
223.11140	0.3
225.05469	0.3
225.09068	1.3
226.06276	0.5
227.06975	1.8
227.10666	0.5
227.12726	0.5
228.07605	0.4
229.04988	2.2
229.08531	0.6
235.05833	1.6
237.05554	0.3
237.09081	0.9
239.07011	0.6
239.10567	0.4
241.08673	0.3
247.05826	1.9
249.09082	0.7
249.12701	0.3
251.07010	0.3
251.14281	0.6
253.12357	0.4
255.06705	0.3
265.06824	1.3
267.13791	0.5
267.15976	4.1
269.15283	0.9
271.05981	0.5
271.13275	0.3
279.13651	0.4
281.15228	0.5
283.08240	4.5
283.15338	0.9
285.16974	12.3
291.13776	0.4
293.08038	0.4
293.15363	0.4
295.05991	1.6
297.14798	1.0
299.05573	0.6
299.16232	0.6
301.09158	9.1
301.14102	0.4
302.09561	0.4
303.06152	0.3
308.06653	0.9
309.07440	0.9
309.14792	0.6
311.09094	0.3
311.16351	0.4
313.07025	1.0
313.14383	0.5
315.15915	4.4
317.07928	0.6
321.07507	0.9
321.14868	0.4
322.08060	0.5
323.09018	0.5
323.16339	0.5
325.14383	1.2
327.15768	2.5
331.15494	0.4
333.07452	0.3
333.17215	0.4
334.08371	0.3
335.09009	0.9
339.15836	3.1
341.17447	0.5
352.91888	0.2
355.15625	0.3
357.16183	0.3
359.18372	1.2
371.18518	0.3
373.16315	0.3
377.17487	0.3
383.18320	0.4
387.17966	0.4
389.19479	2.5
395.18579	0.4
399.17691	0.6
401.19669	1.4
413.19513	0.9
421.16321	3.5
429.17114	0.5
439.17715	0.4
445.16336	0.5
447.12030	0.4
447.17947	5.5
454.14709	0.3
459.24997	0.4
463.17068	0.4
465.19086	3.2
472.87567	0.3
477.18573	0.4
483.19693	0.4
489.26218	0.4
494.07346	0.2
495.19186	0.4
503.20627	0.6
513.19067	0.3
521.21448	1.3
531.20380	0.4
531.27710	0.3
539.22589	1.9
551.29633	0.6
557.23340	0.5
563.29730	0.7
569.31073	1.2
575.29401	0.4
579.29218	0.3
581.31110	2.8
585.30066	0.4
587.30078	0.7
593.31006	1.8
597.29895	0.3
599.31909	2.5
605.30627	1.1
609.30365	0.3
611.31958	3.3
621.28479	0.4
623.32001	1.4
627.31042	0.7
629.32611	0.7
639.29681	0.6
641.32831	0.9
657.30194	0.5
687.30902	0.6
695.31836	0.4
705.32245	1.9
713.32758	1.5
723.33911	1.3
731.34015	3.8
732.34436	0.3
749.35071	4.9
767.35742	1.8
773.35596	0.4
791.35394	0.3
815.36188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5841
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	1.6
69.03419	2.6
69.07066	0.7
71.05003	0.3
71.08616	0.9
71.54670	0.7
73.02898	2.9
75.59068	0.3
79.05489	1.2
81.03391	1.4
81.07034	1.8
83.08627	0.3
85.02895	4.8
85.10171	0.4
86.09713	0.4
87.04459	0.4
91.03931	2.9
91.05482	0.6
93.07049	1.1
95.04996	0.5
95.08585	2.1
97.02877	4.7
99.04452	0.7
101.02359	1.8
103.03974	0.3
104.99283	1.1
105.07024	0.5
107.08604	0.5
109.02872	0.8
109.10165	1.0
117.06991	0.4
119.08519	0.4
121.10165	0.3
124.54273	0.3
124.93759	0.5
127.03893	1.5
133.09988	0.3
145.10185	0.3
179.07402	0.3
185.04277	0.9
186.99602	0.6
198.97389	0.4
203.05307	0.5
216.13286	0.3
243.08319	1.6
268.99982	0.4
286.98987	2.0
311.38669	0.3
313.27515	0.7
335.25757	0.5
347.09467	1.6
363.09106	0.5
365.10635	0.8
368.54834	0.3
405.13608	5.6
497.30777	4.1
519.29126	3.6
659.36053	3.6
681.34473	5.5
775.53583	1.2
851.40240	0.4
877.48602	1.4
878.48065	0.4
879.48743	1.0
937.58447	100.0
938.58875	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	936.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.5
67.05492	56.9
69.03421	3.9
69.07053	12.5
70.22033	2.5
71.01376	0.5
71.04982	3.4
71.08625	0.6
73.02894	1.9
73.06503	0.5
77.03933	0.5
79.05480	39.8
81.03403	77.9
81.07043	55.2
81.07423	0.6
82.07381	0.7
83.04967	6.4
83.08604	22.2
83.56084	0.5
85.02888	7.9
85.06534	2.8
91.03940	6.0
91.05464	32.8
93.07027	48.2
95.04952	28.7
95.08589	45.4
96.08913	0.6
97.02872	5.7
97.06509	4.7
97.10151	7.5
99.04440	0.7
99.08071	1.6
100.45193	0.5
103.05434	1.1
105.06281	0.8
105.07008	26.1
107.04939	7.4
107.08575	27.9
109.02878	0.9
109.06494	5.2
109.10135	22.0
111.04444	1.7
111.08060	7.3
111.11678	0.5
113.09626	0.8
115.05446	0.9
117.06997	8.3
119.04897	1.4
119.08557	25.8
121.06474	4.0
121.10119	26.6
123.04403	2.9
123.08045	3.8
123.11680	7.7
125.06036	0.6
125.09598	4.8
127.03862	2.8
128.06195	0.6
129.06995	9.5
131.08543	21.4
132.09097	0.6
133.06483	3.2
133.10109	15.9
135.08014	2.6
135.11673	15.0
137.05954	0.7
137.09619	3.1
137.12286	0.5
137.13232	2.0
139.11153	0.8
141.06950	1.3
142.07761	2.3
143.08546	3.2
145.04965	2.8
145.06456	1.2
145.10091	11.7
147.04393	1.2
147.08017	3.9
147.11668	14.1
148.11903	0.6
149.09605	5.9
149.13232	8.9
153.09007	0.6
155.08531	1.1
157.10109	11.8
159.08102	0.6
159.11670	8.4
161.05960	0.6
161.09660	1.0
161.13216	7.1
163.06004	4.5
163.11157	3.8
163.14809	4.2
165.12749	2.0
167.08510	0.7
169.10112	1.5
171.10350	0.7
171.11659	2.9
173.09631	1.1
173.11745	1.0
173.13226	7.7
175.11154	9.5
175.14729	2.8
177.12697	1.4
177.16330	0.9
181.10046	0.6
183.11708	1.5
185.13165	3.0
187.11153	0.9
187.14781	5.7
189.09642	0.6
189.11198	3.4
189.12740	1.0
189.16318	1.1
191.14267	1.0
193.10406	1.0
193.12210	21.3
195.11639	0.8
197.13261	1.2
199.11148	0.8
199.14772	1.6
201.16415	1.2
203.14204	0.6
205.12196	1.4
207.11850	0.6
207.13667	0.9
211.13293	1.8
213.12659	0.6
221.15376	0.6
223.13191	0.8
227.12689	7.1
233.15271	0.9
233.22469	0.7
235.13242	3.1
243.15898	1.2
243.21021	6.3
245.18835	0.6
249.14876	2.2
259.13403	2.6
259.20633	1.2
261.22116	22.5
265.14471	0.8
267.15863	87.4
268.16190	1.9
273.14856	1.7
273.18176	0.6
279.23126	1.6
285.16840	1.1
285.22083	1.5
289.14325	0.6
289.48352	0.6
295.22546	0.9
299.23639	1.1
301.14279	2.4
301.25174	7.0
309.16925	5.2
313.27365	0.7
314.66354	0.5
315.23108	0.9
317.24683	2.3
319.15359	0.8
327.23227	0.6
333.16809	1.0
334.24219	0.5
335.25735	100.0
336.26053	1.9
341.24716	0.7
359.25638	1.2
375.17850	0.9
403.24622	0.8
407.24219	1.1
411.20334	0.8
417.26083	1.4
417.31323	0.9
421.25919	3.3
435.27182	2.8
435.32565	3.8
437.28717	0.7
449.28879	1.6
453.33569	8.0
461.29276	1.1
471.34723	4.3
475.30386	2.0
509.36606	2.4
523.67249	0.6
527.37225	75.3
528.37653	2.1
545.38281	86.5
546.38666	2.6
559.40045	2.6
569.38263	12.6
577.40265	1.4
587.39075	2.6
593.37811	0.9
611.39441	2.7
623.39075	3.6
635.39240	5.2
653.40497	4.2
671.41266	3.5
689.41772	0.7
826.18036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.2
67.05495	47.7
69.03413	3.6
69.07057	11.6
70.23140	1.0
70.23511	2.1
71.04974	3.9
71.08622	0.6
73.02909	2.2
77.03918	0.6
79.05480	39.4
81.03405	81.3
81.07044	54.2
81.07435	0.9
82.03738	0.6
83.04972	5.6
83.08604	20.6
85.02891	8.4
85.06535	2.3
87.04436	0.8
91.03960	6.4
91.05466	32.9
93.07030	41.8
95.04952	28.7
95.08592	40.1
97.02870	5.8
97.06528	4.8
97.10155	6.9
98.20759	0.7
99.08083	1.8
103.05442	1.3
105.04524	0.5
105.07017	24.3
107.04932	6.7
107.08578	25.2
109.02842	0.7
109.06499	5.7
109.10143	20.4
111.04450	2.0
111.08067	8.4
115.05457	1.7
117.06999	7.6
119.04949	1.3
119.08562	24.7
121.06505	5.7
121.10129	20.7
121.11018	1.1
123.04401	1.7
123.05214	0.6
123.08080	3.7
123.11681	6.0
125.09601	5.0
127.03898	3.0
128.06235	0.7
129.06990	10.0
130.28091	0.6
131.08553	20.5
133.06461	3.6
133.10109	14.9
135.08041	2.1
135.11668	12.2
137.06007	0.7
137.09599	3.4
137.13242	2.1
141.06985	1.0
142.07759	1.5
143.08540	3.3
145.04962	2.6
145.06461	0.7
145.10106	11.1
147.04362	0.8
147.07996	3.8
147.11667	12.6
149.09608	5.3
149.13252	7.3
151.11172	1.5
151.14807	0.8
153.12756	0.7
155.08568	1.6
157.10100	10.7
159.11668	8.0
161.09659	1.2
161.13222	6.4
163.05980	4.4
163.11197	2.6
163.14812	3.7
165.12698	2.9
169.10124	1.3
171.11682	2.8
173.09727	0.8
173.11865	1.0
173.13235	6.4
175.11160	8.7
175.14755	2.8
177.12747	1.8
177.16347	1.4
179.14372	0.8
181.10121	1.1
183.11682	1.4
185.13228	2.4
187.11182	0.8
187.13380	0.7
187.14726	3.5
189.11165	3.4
189.12656	0.7
189.16394	1.1
191.14355	0.7
193.12213	22.1
197.13167	0.9
199.14861	0.9
201.12958	0.7
201.16335	1.7
203.14323	0.8
205.12186	0.8
207.13705	0.9
209.13252	0.9
211.13228	2.6
213.16428	1.1
219.13727	0.9
221.15251	0.8
223.13051	0.7
227.12744	9.8
227.14825	0.7
233.15401	0.8
233.22676	0.9
235.13268	2.0
243.15785	1.1
243.21031	5.3
247.16666	1.2
249.14801	1.7
259.13397	1.7
259.20444	1.0
261.18881	0.7
261.22107	18.1
267.15875	97.0
268.16217	1.0
273.14825	1.3
279.23166	1.6
283.24060	0.5
285.22058	1.3
294.64236	0.7
299.23526	0.9
301.14346	1.5
301.25122	4.8
302.07635	0.6
307.18930	0.7
309.17026	3.8
317.24768	2.9
319.15530	0.8
333.16904	0.9
333.24191	1.1
335.25754	78.3
336.26019	0.9
337.16681	0.6
357.28076	0.7
359.25836	1.9
361.24371	0.6
373.27219	0.8
375.18121	0.7
393.18991	0.9
403.24814	1.0
407.23959	0.8
417.26251	1.1
417.31326	1.0
421.25775	3.1
431.28067	1.0
435.27164	3.6
435.32526	5.4
449.28918	1.6
453.33734	7.2
461.28723	1.2
471.34811	4.7
475.30734	1.1
501.35556	1.1
509.36185	3.4
527.37256	81.6
528.37415	1.8
545.38300	100.0
546.38428	2.1
559.39862	3.1
569.38184	10.1
577.40942	4.2
587.39148	2.5
611.39215	2.4
617.37665	0.8
620.28607	0.6
623.39368	2.8
635.39142	4.3
653.40564	3.9
671.41492	3.1
689.41980	1.2
772.67688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	4.7
66.85155	1.0
67.05494	76.8
69.03415	12.2
69.06713	2.0
69.07056	26.8
71.04986	8.3
71.62298	1.3
73.02909	6.8
73.06512	1.5
77.03908	1.9
79.05480	69.4
80.05815	1.7
81.03406	71.6
81.07044	87.0
82.03693	1.0
82.07384	1.5
83.04973	24.8
83.08606	33.9
85.02892	46.4
85.06524	6.6
87.04418	2.0
91.03944	12.8
91.05464	100.0
92.05777	1.2
92.53859	1.1
93.07030	74.4
95.04958	40.6
95.08593	38.5
96.04507	1.3
97.02872	19.8
97.06517	14.5
97.10159	8.6
99.04413	3.7
99.08075	6.9
101.05959	1.5
103.05440	3.4
105.04504	2.1
105.07014	88.7
106.07359	1.8
107.04942	14.6
107.08577	40.6
109.02831	4.0
109.06519	8.3
109.10134	19.6
111.04443	5.2
111.08067	16.7
113.06000	1.9
113.09594	2.5
115.03952	1.4
115.05424	4.5
117.07004	27.3
119.08562	64.1
121.06485	9.2
121.10119	33.9
123.04448	1.4
123.08041	9.4
123.11678	6.2
125.09643	5.6
127.03899	8.2
127.07520	1.8
128.06169	3.4
129.05528	5.4
129.06981	24.9
131.08553	39.9
133.06511	5.6
133.10109	57.8
134.10402	1.9
135.08057	5.3
135.11674	20.1
137.09607	6.1
139.11165	2.2
141.01476	1.0
141.06920	3.0
142.07770	5.7
143.08559	12.6
145.04953	5.7
145.06451	2.5
145.10091	23.9
147.08037	5.0
147.11664	50.2
149.09596	18.1
149.13243	16.3
151.11134	4.0
153.12752	1.2
154.34953	1.1
155.08521	4.9
157.08835	0.9
157.10106	25.2
159.11662	22.4
161.06110	1.1
161.09610	2.4
161.13232	19.1
163.05995	4.7
163.07277	1.2
163.11128	8.5
163.14792	2.8
165.09151	1.2
165.12720	5.5
167.08525	1.3
169.10071	3.4
171.11664	11.9
173.04414	2.7
173.09572	1.7
173.11768	2.5
173.13196	12.5
175.11188	17.9
175.14775	6.9
177.12738	4.4
179.10689	1.2
179.14351	2.8
181.10023	2.5
183.11659	4.2
184.07333	1.2
185.09621	1.0
185.13237	8.9
187.11050	2.0
187.14774	3.1
189.11211	2.2
189.12727	2.4
189.16399	1.6
191.10611	1.1
193.12213	58.3
194.12514	1.9
195.11948	1.6
195.13744	7.7
197.13211	3.8
199.14792	4.3
200.15312	1.1
201.16283	1.7
205.12189	1.3
209.13249	1.7
211.13251	74.9
212.13565	1.8
213.16414	2.7
219.13605	1.2
221.15309	1.6
223.14896	1.2
227.12709	5.9
229.14282	4.9
229.19435	2.3
231.21024	3.7
239.17851	3.0
241.19478	18.7
243.12154	2.4
245.13721	1.1
249.15076	1.4
253.14325	4.9
254.14828	2.2
257.18973	9.0
259.20541	62.3
260.20718	1.1
265.14304	2.4
267.15872	39.8
269.17435	32.7
273.18460	2.2
275.20032	22.6
277.21646	2.8
281.17438	1.9
283.15329	4.2
285.16925	75.4
286.17331	3.2
291.19525	3.4
292.19870	1.6
293.17633	1.3
293.21017	2.4
297.22073	1.8
301.16388	2.3
315.23264	6.3
321.16821	1.3
331.22540	2.3
333.24191	39.7
335.25671	1.5
349.23694	19.2
365.23090	1.7
367.23819	1.6
369.23813	1.6
402.99188	1.1
421.25601	4.1
433.30850	5.5
439.26843	4.8
443.28125	1.7
447.27213	2.2
451.31940	7.4
461.28864	23.1
469.32996	3.3
473.28360	1.7
477.28708	1.6
479.29984	51.2
480.30060	2.0
507.34311	3.0
515.37042	3.4
519.32959	1.3
525.35687	30.1
541.34900	8.4
543.36755	88.5
544.36896	4.6
557.34338	1.3
558.35193	2.0
559.36084	16.8
561.37769	3.7
575.35376	3.1
576.35394	3.1
577.36298	8.2
583.29755	1.5
936.52966	3.2
937.44305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	5.4
67.05494	68.0
68.05813	1.7
69.03418	13.6
69.07058	26.3
70.61596	0.9
71.04980	10.3
71.08625	1.8
73.02906	6.9
76.38504	0.8
77.03922	2.0
79.05480	70.5
81.03403	72.8
81.07043	81.9
82.03706	0.9
82.07368	1.3
83.04474	1.4
83.04971	26.2
83.08126	1.8
83.08607	31.3
85.02891	47.7
85.06516	4.6
87.04437	1.1
89.00977	0.8
91.03953	10.9
91.05464	100.0
93.07029	75.8
94.07353	1.5
95.04342	2.2
95.04954	37.4
95.08591	40.8
96.04482	1.1
96.08933	1.0
97.02875	18.5
97.06506	14.9
97.10154	8.5
98.09690	1.0
99.04429	4.0
99.08095	5.1
101.02354	0.9
103.03955	1.0
103.05444	2.6
105.04511	2.0
105.07013	77.8
107.04942	13.7
107.07847	1.9
107.08577	38.9
108.08892	1.1
109.02863	3.5
109.06496	10.3
109.10139	17.1
111.04456	5.2
111.05112	0.9
111.08066	13.7
111.11675	0.9
113.05988	4.1
113.09647	1.4
115.05444	4.3
116.04707	1.8
116.06257	1.6
117.06995	21.0
119.04903	1.7
119.08560	67.5
121.06493	7.6
121.10126	30.2
121.11007	1.4
123.04403	1.1
123.08055	9.7
123.11687	5.2
125.09616	6.5
127.03888	9.4
127.07533	1.4
128.06207	2.5
129.05482	9.4
129.06984	23.1
131.08554	38.6
133.06473	3.9
133.10110	51.0
134.10458	1.0
135.08015	4.9
135.11659	17.1
137.09601	5.6
139.11137	1.4
141.06985	2.9
142.07773	6.6
143.08539	9.3
145.04936	8.1
145.06464	2.1
145.10088	23.6
147.08015	7.4
147.11667	46.3
149.09599	16.2
149.13249	13.8
151.11140	3.7
153.09117	1.5
155.08554	4.1
157.08752	2.4
157.10095	26.6
158.08899	0.9
159.08040	1.3
159.11647	21.9
161.09663	2.2
161.13225	15.0
163.06013	3.7
163.11142	7.6
163.14742	2.4
165.12743	4.5
167.08588	2.8
169.08832	1.0
169.10075	5.1
171.10229	1.7
171.11662	11.6
173.04462	2.5
173.09572	2.2
173.11786	1.3
173.13216	11.8
175.11165	19.3
175.14767	7.0
177.12720	3.2
177.16362	1.2
179.10634	1.6
179.14302	2.1
181.12141	1.0
183.11670	3.3
185.13203	9.1
187.11093	1.6
187.14830	3.2
189.11205	2.7
189.12743	3.1
191.10629	1.4
191.14189	2.3
193.12212	51.2
194.12498	1.1
195.11713	1.0
195.13780	4.7
197.13239	2.7
199.11159	1.5
199.13184	1.0
199.14833	4.7
201.12669	1.7
207.13840	1.1
211.13248	73.9
213.16473	1.5
215.17931	1.6
217.15878	1.2
223.14799	1.4
227.12808	6.8
229.14296	4.4
229.19499	1.9
229.90852	1.2
231.17303	1.4
231.21053	4.0
239.17987	2.4
241.19470	16.2
243.12286	1.8
247.20583	1.5
249.14908	1.5
253.14360	1.6
253.18045	1.1
257.18994	8.9
259.20529	42.7
261.14713	1.3
261.22012	1.5
265.14282	1.3
267.15863	34.0
269.17432	22.9
273.18503	1.5
275.20074	18.1
277.21652	2.3
281.17361	1.4
283.15393	5.6
283.20340	1.1
285.16922	85.0
286.17468	1.4
291.19482	1.4
293.17700	1.1
293.21027	4.0
295.20352	1.3
297.22229	1.9
299.23602	1.8
301.16394	6.6
303.15707	1.3
313.21625	2.6
315.23148	4.2
331.22641	2.7
333.24185	33.1
335.25824	1.3
341.24588	1.0
343.22592	1.1
349.23734	12.8
351.25183	1.1
367.25089	1.0
389.26642	1.0
421.26010	2.1
433.30914	4.4
435.27417	1.0
439.26721	5.2
445.29697	1.3
449.30060	1.4
451.32083	6.6
461.28766	12.5
465.28204	1.3
467.31284	1.3
469.33221	2.7
473.28522	1.8
477.28851	1.9
479.29980	39.9
479.36865	1.9
491.29904	1.5
507.34482	2.3
515.37396	1.8
525.35748	24.4
541.35211	6.9
543.36707	60.9
544.37384	2.1
559.36261	18.4
561.37445	3.7
576.56458	1.1
577.37195	5.2
936.54047	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.0
67.05492	63.9
68.05836	1.1
69.03418	9.9
69.07057	26.4
70.74070	0.9
70.87409	2.9
71.01354	1.5
71.04979	8.4
73.02903	3.9
73.06540	1.0
77.03889	1.4
79.05479	63.4
81.03403	75.6
81.07041	74.3
82.03757	1.1
83.04966	24.9
83.08601	38.8
85.02891	36.4
85.06532	4.8
86.82077	0.9
91.03945	8.5
91.05466	70.5
93.07027	55.5
95.04947	34.8
95.08594	33.3
97.02872	15.0
97.06527	19.2
97.10154	21.9
99.04434	2.1
99.08062	3.5
103.05452	1.5
105.07012	55.5
107.04943	13.9
107.08578	47.0
108.08905	1.2
109.02870	4.0
109.06493	10.4
109.10140	14.8
111.04428	4.6
111.08071	15.0
113.05968	3.6
113.09608	1.5
115.05432	4.3
117.06995	14.6
119.04937	1.1
119.08558	40.2
121.06522	6.6
121.10123	21.9
123.08057	7.2
123.11694	4.8
125.09598	15.3
127.03874	5.6
127.07560	1.3
128.06264	2.1
129.06984	16.3
130.07733	1.0
131.08546	28.4
133.06474	3.9
133.10107	33.1
133.11066	2.0
135.04411	1.2
135.08063	7.5
135.11655	11.5
137.09628	4.8
138.33221	1.0
139.11142	1.1
141.07028	1.6
142.07771	4.8
143.08556	3.8
145.04953	2.8
145.10097	19.7
147.08057	5.3
147.11658	26.2
147.12775	2.1
149.09590	21.3
149.13239	7.6
150.13498	1.0
151.11180	2.8
153.09009	1.4
155.08543	3.0
155.67009	1.0
157.10109	19.9
159.08037	1.1
159.11661	13.3
161.09566	2.4
161.13229	4.8
163.06035	1.6
163.11130	10.3
165.12724	4.7
167.08594	1.4
169.10077	3.1
171.10399	0.9
171.11623	6.0
173.04442	3.0
173.09592	1.2
173.11824	1.9
173.13254	6.0
175.11156	19.4
177.12741	3.2
179.14349	2.9
181.12131	1.2
183.11641	3.3
185.13168	2.1
187.11215	1.7
187.14746	1.7
189.11188	7.8
193.12213	51.6
195.13799	4.3
197.13271	2.2
201.12830	1.8
205.12257	1.4
211.13246	72.8
227.12750	22.8
229.14330	4.5
229.19522	2.4
239.17880	3.2
245.13785	1.4
247.20624	1.7
249.14697	1.2
255.15874	5.9
257.18933	10.0
267.15854	35.0
269.17438	16.0
275.16910	1.1
275.19998	40.7
285.16916	75.1
286.17218	1.4
293.17712	1.6
293.21045	4.0
299.04041	1.2
299.19913	1.0
313.21661	1.6
321.24539	1.3
331.22635	4.3
349.23679	48.5
363.21558	1.3
367.24973	1.9
369.24536	1.2
381.22571	1.2
383.22281	1.2
389.18228	1.5
419.24310	1.5
421.25800	2.5
437.25180	4.0
439.26797	8.0
443.27908	1.8
445.29178	1.3
447.27634	8.9
449.30457	1.5
455.26111	5.5
461.28940	25.9
463.30420	3.0
465.28317	11.8
479.29990	62.8
480.29733	1.5
519.33240	1.7
523.33813	2.9
541.26892	2.1
541.35181	39.9
559.36188	100.0
560.36365	2.3
577.37384	14.3
581.29816	1.5
583.30487	1.7
599.30573	1.4
605.32672	1.2
623.34204	6.0
643.38062	1.4
649.39447	1.1
667.37689	1.7
673.87317	1.1
703.40582	2.1
714.00140	1.1
721.41449	3.3
787.86084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.5
67.05495	47.5
69.03419	11.9
69.07059	28.5
69.50361	1.9
69.50777	3.5
71.01317	1.4
71.04982	5.1
73.02901	4.0
77.03912	0.9
79.05482	48.2
81.03407	48.1
81.07045	53.3
82.03707	0.6
82.07375	0.8
83.01295	2.5
83.04971	17.8
83.08608	27.7
85.02894	26.4
85.06514	3.7
86.09692	0.9
87.04441	1.0
91.03954	4.4
91.05467	50.7
93.07029	44.3
94.07322	0.8
95.04951	29.5
95.08595	25.8
97.02275	0.8
97.02877	16.5
97.06526	9.9
97.10154	17.5
99.04392	2.1
99.08088	3.4
103.05419	1.3
105.07018	44.2
106.07307	0.7
107.04287	1.0
107.04945	15.0
107.08582	34.2
108.08871	0.8
109.02824	2.5
109.06503	8.6
109.10137	20.0
111.04438	3.5
111.08058	9.4
113.05951	2.3
115.03895	1.0
115.05399	2.5
117.06197	1.1
117.06998	15.2
119.04884	1.8
119.08566	34.3
121.06499	7.2
121.09315	1.3
121.10123	18.6
123.04374	1.6
123.08063	9.4
123.11713	4.5
125.05932	1.4
125.09607	15.5
127.03903	4.4
128.06198	1.7
129.05493	1.1
129.06982	12.4
130.07710	1.0
131.07573	0.8
131.08556	19.7
133.06462	6.4
133.10114	31.2
134.07243	1.1
135.04373	0.7
135.08047	7.0
135.11671	11.5
137.05934	1.1
137.09587	4.4
139.03935	0.7
139.07463	1.0
139.11127	0.8
141.06941	0.9
142.07706	3.0
143.08525	5.9
145.04926	2.3
145.06412	1.6
145.10112	19.6
146.10410	0.8
147.08028	10.2
147.11659	17.0
148.12001	0.7
149.09599	12.2
149.13266	3.5
151.11157	6.1
153.09045	2.3
153.12663	1.2
155.08530	1.5
157.10112	13.7
159.07977	2.3
159.11649	8.1
161.09618	4.5
161.13234	3.8
162.10347	1.1
163.05997	2.1
163.07494	0.9
163.11154	12.2
165.09055	1.2
165.12730	3.2
169.10141	2.0
169.12202	1.8
169.96091	0.6
171.08000	0.7
171.10184	1.2
171.11639	4.1
173.04395	1.2
173.09554	1.9
173.11771	1.2
173.13202	4.1
175.11163	11.9
175.14781	1.1
176.15080	0.8
177.09085	1.2
177.12701	2.3
179.10553	1.0
179.14249	1.4
181.12158	1.9
183.11656	0.8
184.07291	2.1
185.13188	1.7
187.11139	1.4
187.14767	2.1
189.11172	7.2
189.12831	1.7
189.16280	1.2
191.10611	1.3
191.14307	0.9
193.12215	28.1
195.11780	0.8
195.13759	2.0
197.13184	1.3
199.11151	1.0
199.14818	1.1
201.16357	2.5
205.12212	1.9
205.15785	1.2
209.11722	2.4
211.13252	40.0
213.16408	1.7
219.13773	1.5
219.17421	0.9
221.15149	0.7
223.13249	14.2
227.12737	19.0
227.17870	0.9
229.14310	1.5
229.19293	0.9
231.13797	0.7
233.15245	1.0
245.13788	0.9
245.18939	2.5
247.16920	0.9
249.14806	5.0
253.14288	16.5
255.17517	1.3
257.19009	3.6
259.20633	1.2
261.18372	0.8
263.19910	0.9
264.48059	0.7
267.15875	32.1
269.17355	4.5
271.15359	1.1
273.18445	17.1
275.20029	12.5
283.15375	31.9
285.16910	42.0
286.17288	0.9
291.19498	84.0
292.19806	2.0
293.21121	1.6
309.17029	0.8
309.20560	1.8
313.21478	1.5
329.21262	0.7
331.22531	1.3
347.22174	5.5
349.23697	14.9
365.23184	52.9
366.23395	1.2
376.05377	0.6
379.20612	0.8
407.33014	1.8
408.33432	1.3
429.21133	0.8
435.32767	1.0
437.25305	4.2
445.25583	2.3
453.24463	3.3
453.33569	2.7
454.33936	1.5
455.26685	1.1
459.27405	3.6
461.28830	1.1
463.26932	7.9
465.29831	1.4
477.28442	21.3
481.27789	1.0
483.30930	1.3
495.29422	2.6
507.29169	0.9
511.34390	1.1
529.35376	1.4
539.33624	9.2
557.34656	87.5
558.35126	2.5
575.35699	100.0
576.35870	3.8
593.36621	1.4
597.28778	1.0
621.32452	1.6
701.38696	1.1
719.40308	3.1
737.41223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.3
67.05495	25.4
67.70124	0.5
69.03400	2.9
69.07056	17.3
71.01344	0.6
71.04984	2.6
71.48780	0.5
71.62785	0.9
72.17892	0.5
73.02908	2.4
78.24733	0.6
79.05482	22.4
80.05814	0.8
81.02960	0.9
81.03411	9.9
81.07044	33.8
82.04178	1.8
82.07378	0.5
83.04964	7.9
83.08594	6.3
85.02901	4.2
85.06527	1.8
87.04445	0.6
91.03930	1.2
91.05465	33.3
93.07027	22.3
94.04193	0.6
95.01318	3.7
95.04951	11.9
95.08593	18.6
97.02881	3.2
97.06510	17.8
97.10139	6.5
98.07314	2.8
99.04429	1.0
99.08069	1.3
101.05992	0.8
103.05456	1.3
105.07014	41.7
106.07315	0.7
107.04941	11.4
107.08577	12.6
109.02872	0.9
109.06483	5.2
109.10130	6.8
111.04440	1.4
111.08076	2.7
115.05410	1.0
116.04703	6.3
117.05498	1.1
117.06989	8.4
117.07734	0.9
119.08562	24.7
121.06465	3.3
121.10116	8.0
123.04442	1.5
123.08062	4.5
123.11673	2.2
125.09610	7.7
127.03921	1.2
127.11220	0.8
128.06223	0.7
129.05469	17.0
129.06932	4.2
130.07735	0.7
131.08537	13.4
133.06490	1.5
133.10107	26.3
135.08025	4.1
135.11667	6.7
135.40916	0.6
137.09631	2.4
139.07484	0.9
139.11177	0.6
141.06989	1.6
143.07027	4.4
143.08508	2.7
145.06464	1.8
145.10101	12.7
147.08047	1.8
147.11671	12.6
149.09584	7.1
149.13246	2.4
151.11165	3.0
153.09059	0.8
153.12752	0.8
155.08575	1.3
157.08598	8.0
157.10106	4.4
159.08025	1.0
159.11655	7.4
161.09630	1.6
161.13220	3.4
163.11163	6.4
165.09172	1.5
165.12712	1.5
167.10681	0.7
169.10141	1.7
171.06526	0.9
171.10146	2.5
171.11693	2.0
173.04485	1.5
173.11908	0.5
173.13239	2.6
175.11133	2.8
177.12686	3.7
179.14278	7.9
181.12192	1.3
183.11667	1.0
184.07397	2.6
185.11737	1.1
185.13278	1.3
187.11156	1.7
187.14783	1.2
189.11189	4.4
189.12704	1.1
191.10695	1.4
191.14279	0.6
193.12196	3.7
195.13864	1.1
197.13284	1.4
199.05965	0.6
199.13228	3.2
200.14087	2.1
201.12756	1.0
205.12212	0.8
207.13783	0.6
209.11676	1.0
211.13170	2.8
223.13150	0.7
227.10687	1.1
227.12680	6.4
229.14235	0.8
229.19643	0.8
233.15303	0.7
239.17989	1.1
247.20625	1.9
253.14436	1.4
257.18982	4.1
257.21408	0.7
259.20407	1.0
265.14261	1.4
267.15887	5.5
269.17392	1.2
273.18466	1.8
275.20026	40.2
276.20355	1.3
279.15775	2.7
281.17453	0.7
283.15344	8.1
285.16766	2.8
291.19415	1.8
293.17587	1.1
293.21149	1.5
301.16409	47.5
331.22595	0.7
333.24512	0.7
349.23663	21.7
350.23987	1.1
365.23209	1.9
385.58542	0.6
403.25150	0.5
435.27591	0.7
463.26917	0.8
473.33011	0.9
477.28577	1.7
483.30869	0.7
489.28302	0.8
503.33569	4.5
539.33563	2.3
541.35181	6.0
556.37341	0.9
557.34570	8.5
558.35370	2.4
559.36310	1.4
575.35687	100.0
576.36072	2.8
593.36603	2.3
719.39813	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.2
67.05492	22.3
69.03417	3.1
69.07054	12.9
71.04979	2.5
73.02908	1.4
79.05477	19.5
79.86110	0.4
80.05804	0.6
81.03400	9.2
81.07042	29.0
82.04176	0.7
83.04963	6.2
83.08598	5.9
85.02893	3.4
85.06532	1.3
86.09705	0.9
87.04403	0.7
87.07126	0.5
91.03957	0.9
91.05463	28.1
92.05772	0.7
93.07025	20.5
93.75962	0.4
95.01326	2.6
95.04943	8.2
95.08586	15.7
97.02872	2.2
97.06511	15.4
97.10136	3.8
98.07296	1.2
99.04431	0.5
99.08036	1.5
103.05477	1.1
105.07010	35.6
107.04931	8.8
107.08566	10.5
109.02876	0.7
109.06491	3.9
109.10111	4.8
111.04426	1.6
111.08038	2.5
113.09634	0.6
115.05419	1.2
116.04689	3.3
117.06988	7.8
119.04920	0.5
119.08559	21.5
121.06503	3.5
121.10113	5.1
123.04452	1.6
123.08044	3.1
123.11671	1.6
125.09592	5.0
127.03915	1.1
127.11179	0.6
129.05447	5.8
129.06929	3.4
131.08545	12.3
132.09065	0.5
132.53462	0.5
133.06476	1.8
133.10106	23.5
134.10498	0.5
135.08022	3.0
135.11674	5.1
136.08740	0.5
137.09586	2.3
139.07498	0.9
141.06929	1.5
142.07761	0.6
143.07043	1.6
143.08559	2.2
143.10672	0.6
145.06445	1.2
145.08934	0.4
145.10085	10.3
147.08051	2.4
147.11659	10.9
148.12048	0.7
149.09583	5.8
149.13249	1.9
151.11165	1.2
153.09169	0.7
155.08582	1.1
157.08594	3.1
157.10085	2.5
159.08051	0.7
159.11636	6.7
161.09605	1.3
161.13220	3.3
163.11139	4.9
165.09052	0.9
165.12769	1.4
167.08585	0.5
169.10155	1.3
171.10297	1.3
171.11687	2.7
173.09618	0.9
173.11865	0.6
173.13274	1.4
175.11186	2.1
175.14844	0.6
177.12787	2.5
179.14299	6.6
181.12241	0.7
183.11670	1.9
184.07329	2.3
185.13304	1.1
187.11160	2.2
187.14828	0.7
189.11209	2.3
189.12685	0.7
191.10652	1.0
193.12219	1.9
195.13812	0.6
197.13274	1.2
199.13196	2.4
201.12808	0.9
205.12207	1.3
207.13797	0.6
209.11642	0.9
211.13190	1.0
219.17374	1.4
223.13260	0.6
227.12737	3.4
229.14354	1.4
239.18135	0.6
245.75395	0.5
247.20537	1.1
253.14462	0.8
255.15852	0.6
257.18954	3.0
258.08951	0.9
265.14200	0.6
267.15839	4.1
269.17447	1.8
273.18472	1.4
275.20004	35.9
276.20279	0.8
279.15848	2.3
281.17441	1.1
282.17688	0.6
283.15298	5.8
284.15649	0.9
285.16843	1.5
291.19540	3.7
292.19849	0.6
293.17883	0.9
293.21164	1.8
301.16409	16.1
347.22278	0.6
348.23083	0.7
349.23648	17.3
350.23965	1.2
365.23520	2.3
367.23996	0.7
377.27139	0.6
421.25745	0.9
423.27481	0.7
461.28979	0.9
473.33112	1.2
475.30148	0.7
477.28995	1.7
495.29120	0.8
503.33652	3.2
525.36133	0.6
539.33594	1.0
540.33984	0.8
541.35065	4.4
543.36853	1.0
556.36847	1.0
557.34448	5.9
558.35529	1.7
574.34888	1.2
575.35663	100.0
576.35822	2.5
593.36737	1.5
719.38647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.9
67.05495	13.9
68.05821	0.3
69.03065	0.6
69.03420	8.8
69.07061	6.1
71.01340	1.2
71.04975	1.6
71.08617	1.3
73.02910	7.7
75.04446	0.5
79.05051	0.6
79.05482	10.5
81.03405	4.5
81.07046	15.6
82.07375	0.5
83.01336	0.5
83.04969	1.6
83.08610	3.8
85.02892	20.1
85.06524	1.0
85.10153	1.0
87.04443	0.6
89.81404	0.3
91.03941	12.2
91.04515	0.7
91.05463	9.3
93.07030	10.6
95.04967	2.1
95.08594	14.1
96.08946	0.4
97.02877	17.4
97.06516	1.4
97.10160	2.3
98.21520	0.6
99.04462	2.0
99.08064	0.7
101.02351	1.8
103.05487	0.4
105.03384	0.3
105.07015	8.9
106.07266	0.3
107.04925	1.0
107.08582	7.5
109.02866	1.4
109.06511	1.2
109.10136	5.6
111.08086	1.1
115.03919	1.3
115.05478	0.9
117.07007	4.7
119.08566	9.1
121.06445	0.7
121.10133	4.8
123.08044	1.2
123.11691	1.7
125.09627	1.2
127.03910	4.7
128.06184	1.6
129.05458	0.6
129.06989	5.6
130.07753	0.6
131.07097	0.4
131.08549	8.5
133.10106	5.7
135.08052	0.8
135.11678	3.9
137.09526	0.5
137.13242	0.6
139.11224	0.5
141.06961	3.5
142.07797	1.9
143.08530	7.6
144.09317	0.5
145.04944	3.1
145.10104	8.0
147.11655	3.7
148.11990	0.4
149.09622	0.7
149.13258	2.2
153.06995	1.0
154.07780	0.8
155.08527	6.4
155.09697	0.6
156.09306	1.1
157.10101	8.2
157.11288	0.6
159.11661	6.8
161.13235	2.6
163.06007	2.0
163.14833	0.6
165.06961	1.1
166.07726	0.5
167.08546	3.0
168.09343	1.3
169.10101	8.3
170.10822	0.5
171.08116	0.3
171.11671	7.2
172.12389	0.4
173.13237	3.0
175.11208	0.4
175.14816	1.5
176.82115	0.3
179.08492	1.9
180.09267	0.7
181.10091	4.1
182.10843	0.8
183.11667	8.1
184.07484	0.4
185.13196	5.4
187.11227	0.5
187.14790	2.0
189.16350	0.9
192.09309	0.5
193.10155	2.4
194.10864	0.6
195.11690	4.3
196.12444	0.5
197.13231	6.6
198.13846	0.4
199.11266	0.4
199.14824	3.3
201.16371	1.1
203.17909	0.5
205.10155	1.1
207.11642	2.7
208.12415	0.6
209.13217	4.8
211.14793	3.8
213.16380	2.0
215.17874	0.4
217.15862	0.5
219.11687	1.2
221.13287	2.2
222.14015	0.3
223.14783	3.5
225.16330	3.0
227.14337	0.4
227.17998	1.1
229.19383	0.4
233.13289	0.7
235.14880	1.6
237.16357	2.5
238.17142	0.4
239.14360	0.5
239.17967	1.9
241.19676	0.7
243.21106	0.5
247.14841	0.6
249.16483	1.8
251.18030	1.6
253.19579	0.7
261.16440	0.9
261.22150	1.1
262.22495	0.6
263.17935	1.0
265.19507	1.1
267.16971	0.4
267.21130	0.4
275.17807	0.6
277.19324	0.5
279.21017	0.8
281.22260	0.4
283.20419	0.4
293.19025	0.3
295.20581	0.4
297.22153	0.4
299.23639	0.4
303.20889	0.3
307.20480	0.6
307.24100	0.4
309.22113	0.6
311.20255	0.4
311.23624	0.6
313.27414	2.6
314.27524	1.8
321.22040	0.8
323.23819	0.5
325.21570	0.3
325.25284	0.6
327.23267	0.5
335.26105	2.7
336.25912	1.8
337.21588	0.4
337.25336	1.1
339.23233	0.6
341.24649	0.6
349.25253	1.0
351.27042	1.0
355.26294	0.4
361.25128	0.5
363.27008	0.4
365.28467	0.6
377.28323	0.8
381.27841	0.4
389.28604	0.6
447.32452	0.5
461.33923	0.5
475.35925	0.4
499.40045	0.6
501.35571	0.9
513.35394	0.4
515.37830	0.6
517.40472	3.5
521.36444	0.5
525.36249	0.5
527.37415	0.9
528.37854	0.6
535.41650	1.7
539.37042	1.6
541.38800	0.8
553.39978	0.6
555.41821	0.4
556.38074	0.4
567.40125	0.5
569.41949	0.5
574.49084	1.1
581.41852	0.4
591.43768	5.1
591.50940	0.4
607.43195	2.8
608.43530	0.4
609.45032	100.0
610.45343	4.7
611.46381	0.5
619.42706	0.5
621.44958	1.8
627.45404	0.4
633.44928	1.1
645.45471	0.6
651.46442	1.8
661.44702	0.5
663.45404	0.5
675.45837	1.1
681.44830	0.5
693.47058	0.7
699.46045	1.5
704.40240	0.4
717.46594	1.6
735.48590	2.4
753.49567	3.2
771.50238	29.9
772.50409	1.7
933.55463	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	933.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
65.64785	0.4
67.05481	1.0
69.03426	0.5
69.07036	0.4
79.05475	1.6
80.04992	1.2
81.03400	0.9
81.07027	1.6
85.02873	0.7
86.09675	1.3
91.05450	1.9
93.05776	3.6
93.07033	0.5
94.06546	1.7
95.04944	0.8
97.02857	0.5
105.03365	0.6
105.07028	1.2
106.06519	1.0
107.04913	0.7
108.08102	24.0
109.02914	0.6
109.10161	0.5
119.04931	1.1
119.08549	0.7
121.86771	0.5
122.06000	1.4
123.04422	7.8
124.07570	1.4
124.99956	0.7
127.03828	0.9
132.08076	0.9
133.10106	0.8
134.06015	1.0
135.04367	0.7
136.07558	100.0
137.06044	0.7
137.07932	0.9
138.09131	0.8
139.03873	4.0
146.05862	0.9
146.09637	0.5
147.04359	3.8
148.07536	2.1
149.13290	0.5
150.09128	2.1
151.03883	7.1
152.07043	9.9
154.08591	0.7
160.07555	1.7
161.05940	0.5
162.05437	1.0
163.03899	4.2
164.07025	4.5
165.01811	0.9
165.05469	1.6
166.08597	1.4
172.03900	1.5
173.06013	0.6
175.03877	0.7
177.05411	1.1
179.03416	1.0
181.04974	1.0
183.02879	0.8
184.07349	4.3
185.07744	0.5
186.09065	0.6
188.07126	0.6
190.05057	0.7
204.06525	2.4
211.12309	0.7
212.09227	0.5
214.08641	0.9
225.10147	2.7
226.10966	1.3
227.11761	0.9
229.13741	0.5
237.10069	1.1
238.10828	0.6
239.11739	1.5
241.13196	0.7
242.08098	0.7
244.05992	0.8
251.11818	1.6
252.08823	0.6
253.09692	1.1
254.08096	0.7
255.11359	1.0
256.09616	0.9
263.11710	1.2
265.09677	0.6
265.13318	0.6
266.10303	1.0
267.11298	3.3
269.12781	0.7
270.07620	0.8
271.05984	0.6
271.10831	0.8
272.09253	0.9
273.07587	0.8
274.10843	0.7
277.09375	0.7
279.11240	1.2
280.12131	0.8
281.06717	0.6
281.12912	1.0
283.05820	0.9
283.10791	0.8
284.05896	0.6
284.09061	2.2
284.11813	2.5
285.07486	1.0
285.12244	6.7
286.10486	0.8
287.14157	0.8
291.11267	1.8
295.10748	1.2
297.12305	5.7
298.07242	0.6
300.08600	5.1
302.10187	40.2
303.08600	2.0
307.11227	0.7
308.05518	2.0
309.12198	1.5
311.10187	1.3
312.08557	1.6
313.11453	0.7
314.10245	3.4
323.10236	1.0
325.11780	2.9
326.06400	1.1
327.13297	2.8
328.14224	1.0
337.11880	1.4
340.08167	1.4
341.11310	0.7
355.12842	2.0
357.14459	1.7
359.14215	0.6
387.13235	1.3
398.12552	0.6
415.12872	1.5
429.14410	1.3
430.17606	2.4
432.13434	0.9
433.13882	2.9
436.13583	0.8
444.19400	0.6
445.13940	1.7
448.18585	11.0
452.13531	0.8
454.14914	77.7
455.15332	1.0
457.13800	1.9
459.11868	1.0
459.89996	0.5
460.18542	1.0
473.13092	0.9
475.15311	0.7
480.21249	2.5
488.18304	2.3
490.19730	1.3
492.12741	2.3
505.16299	0.6
520.20660	1.4
522.22070	2.0
596.19940	0.9
611.17676	0.5
611.25073	5.0
613.18860	2.4
643.27374	2.6
645.20337	2.1
703.13080	0.5
737.25531	3.1
738.26404	1.3
748.25018	0.8
764.24396	1.1
765.24640	1.8
766.26202	0.7
778.26031	3.0
779.26410	2.2
780.27081	1.8
810.28534	2.0
811.28607	1.5
901.16949	0.5
901.32562	5.6
933.36243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6283
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03890	1.5
65.04178	0.3
67.05494	30.0
67.05833	1.3
69.03417	1.6
69.07060	10.0
69.07410	0.4
71.04931	1.3
71.08620	17.2
71.23170	0.8
73.02906	3.3
73.94050	0.4
75.04433	0.3
77.03863	0.5
79.05482	17.8
79.05926	0.7
81.03350	1.1
81.07043	35.8
83.01296	0.3
83.04916	0.7
83.08603	9.4
85.02888	14.0
85.06535	1.6
85.10168	10.9
85.10646	0.4
87.04423	0.4
88.11308	0.3
89.05969	1.1
91.03939	10.9
91.05463	9.8
93.07028	23.2
94.07222	0.3
95.04961	1.7
95.08591	35.5
96.04436	0.5
96.08864	0.5
97.02876	7.0
97.06468	1.5
97.10152	4.8
99.04403	0.9
99.08034	0.9
99.11679	0.5
103.07520	0.8
105.06399	0.5
105.07010	8.1
107.08576	14.5
109.02827	0.4
109.10135	16.3
111.08013	0.9
111.11672	0.9
115.03891	0.7
117.06996	3.0
119.07795	0.4
119.08554	5.6
121.10124	11.6
123.07995	0.6
123.11683	7.1
127.03898	4.3
129.06952	0.5
131.08548	6.5
133.04263	0.3
133.09119	0.4
133.10107	6.7
135.11671	9.7
137.13232	2.3
139.11026	0.4
145.04939	6.6
145.09052	0.3
145.10101	5.8
147.11685	3.6
149.13231	6.5
151.14745	1.3
153.12665	0.4
159.10641	0.4
159.11681	4.4
161.13254	3.0
163.04730	0.5
163.06003	8.5
163.14783	4.4
165.12729	0.4
165.16342	0.5
173.13245	4.7
175.14774	1.4
177.12657	0.4
177.16371	2.2
180.08531	0.3
187.14781	2.2
191.14200	0.6
201.16263	0.8
233.22493	1.3
239.23618	3.0
243.21028	9.0
249.37161	0.4
257.24780	1.7
259.20496	0.4
261.22101	37.7
262.22400	1.3
262.86737	0.4
277.21460	0.8
279.23062	0.8
281.22635	0.4
283.68335	0.3
299.23621	0.6
313.27307	100.0
314.27597	3.3
317.24731	5.4
325.39380	0.5
335.25745	79.7
336.26035	3.2
343.33054	0.4
499.44882	0.8
573.48706	46.8
574.49084	3.4
584.16254	0.4
591.49713	13.1
592.49908	0.9
764.36731	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.2
67.05495	54.9
68.05830	0.8
69.03423	4.6
69.07056	18.8
69.50680	4.1
71.04987	3.3
73.02897	2.1
73.06535	2.1
74.02011	0.4
77.03921	1.2
79.05482	68.7
79.42126	0.5
80.05812	1.0
81.03410	14.2
81.07044	57.6
82.07385	1.0
83.04971	14.1
83.08607	10.4
84.60490	0.4
85.02897	7.1
85.06522	3.8
87.04444	0.6
88.82862	0.5
91.03939	2.1
91.05466	58.3
92.05794	0.5
93.07030	67.6
94.07352	1.2
95.04343	1.1
95.04951	19.7
95.08591	31.7
97.02869	4.8
97.06516	13.9
97.10146	6.1
99.04452	1.6
99.08074	1.9
103.05450	1.5
105.04494	1.3
105.07017	43.3
106.07345	0.7
107.04944	10.5
107.08576	28.9
109.02834	2.2
109.06511	7.1
109.10139	10.2
111.04427	1.5
111.08058	3.9
113.09625	1.1
115.05461	1.9
117.07001	14.3
119.08562	29.4
120.08911	0.6
121.06489	6.1
121.10125	11.8
123.04424	0.7
123.08054	7.2
123.11690	2.4
125.05937	0.6
125.09608	3.7
127.03902	2.9
127.07538	1.7
128.06187	3.4
129.05518	1.0
129.06990	15.2
130.07768	1.0
131.08557	12.0
133.06480	1.5
133.10114	20.9
135.08000	2.8
135.11679	10.0
137.09584	2.2
137.13170	0.6
139.03893	0.7
139.07585	0.6
139.11189	0.7
139.46173	0.5
141.07019	1.5
141.09154	0.6
142.07802	0.7
143.08542	9.7
144.09338	0.7
145.04932	1.2
145.06506	1.4
145.10104	19.3
147.08052	2.9
147.11665	32.0
148.11989	0.6
149.09592	9.5
149.13232	6.6
151.03984	0.5
151.11147	1.6
155.08548	1.8
156.09355	1.1
157.10124	3.0
159.11667	8.3
161.09621	4.9
161.13226	11.1
163.05997	1.1
163.11140	7.3
163.14854	0.6
165.09052	0.9
165.12708	0.8
169.10136	2.3
171.10350	0.6
171.11656	18.3
173.04459	2.8
173.09561	0.5
173.13206	3.3
175.11087	0.8
175.14847	0.8
177.12735	3.0
179.14287	1.7
183.11676	1.9
184.07372	1.2
185.13246	1.1
187.14778	1.0
189.11182	1.0
189.12688	7.6
191.14282	0.9
193.12172	1.0
195.11874	0.9
195.13782	2.5
197.13264	1.3
199.14903	0.6
201.16328	0.7
207.13765	17.0
211.14912	0.6
213.12685	0.6
219.13731	0.5
225.14870	1.9
227.12714	6.7
229.14185	0.7
229.19516	1.5
239.17952	2.0
247.20506	1.1
253.14320	1.7
255.15814	4.3
256.26352	1.0
257.18991	5.7
259.20261	0.5
263.16498	1.0
267.15948	1.1
269.17438	10.9
274.27417	1.5
275.20023	22.0
276.20367	0.5
279.15921	1.5
281.17435	59.6
282.17767	1.4
283.15366	1.3
291.19604	0.5
293.21106	2.5
321.24179	0.6
331.22653	2.1
335.25717	1.0
349.23679	18.0
350.23877	1.0
365.23419	0.9
367.24762	1.1
377.23380	1.2
413.21494	1.2
435.27530	5.1
451.26746	4.0
457.29251	1.4
459.31104	1.6
461.28918	24.7
462.29269	1.3
475.30493	100.0
476.30872	5.1
491.30396	0.5
513.99066	0.6
515.33667	1.7
527.37103	2.0
537.35736	4.4
555.36743	61.8
556.37201	4.1
573.38092	12.7
574.37738	0.6
577.29828	0.7
595.31128	1.4
597.37555	0.7
619.34753	3.5
681.39380	0.7
699.40894	1.2
717.41638	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.5
67.05495	78.3
68.05825	1.6
69.03412	4.7
69.07056	24.0
71.04972	4.7
71.08607	2.6
71.62496	2.2
73.02901	4.5
73.06557	2.6
77.03909	1.8
79.05483	97.0
80.05817	2.4
81.03408	15.0
81.07045	86.6
82.07388	2.9
83.04965	18.2
83.08604	13.8
85.02896	13.0
85.06528	6.4
85.10172	1.2
91.03955	6.8
91.05467	95.5
92.05795	1.8
93.07028	100.0
93.41270	1.1
94.07375	2.9
95.04958	29.1
95.08590	46.4
96.08919	1.2
97.02856	9.1
97.06512	12.1
97.10151	6.0
99.08085	2.9
103.05449	3.3
105.04496	2.3
105.07014	78.9
106.07373	1.8
107.04933	11.7
107.08578	45.6
108.08871	1.3
109.02801	1.7
109.06490	9.4
109.10143	15.0
110.10509	1.4
110.78191	0.9
111.08078	4.1
115.05444	2.5
117.07001	24.6
119.08564	55.9
120.08902	2.2
121.06528	5.9
121.10126	19.6
123.04547	1.0
123.08054	9.2
123.11691	4.0
125.09619	3.4
127.03890	5.9
127.07520	1.7
128.06192	5.1
129.05478	2.5
129.06985	24.4
131.08548	25.8
133.06558	2.6
133.10110	42.7
134.10498	1.3
135.08038	5.3
135.11650	12.7
137.09573	2.3
137.13303	1.5
139.07489	1.3
141.06940	2.1
141.09091	1.7
142.07726	1.4
143.08539	19.6
144.09189	1.1
145.04948	3.1
145.06433	1.5
145.10106	26.3
146.19858	1.0
147.08002	5.7
147.11664	59.5
147.84157	1.1
148.12027	1.5
149.09575	7.7
149.13246	11.2
151.11162	3.8
155.08543	2.2
156.09404	2.1
157.10085	7.5
159.07933	1.2
159.11664	16.9
161.09605	7.5
161.13232	26.0
163.05943	1.8
163.11159	6.0
163.14763	1.5
169.10143	4.4
171.11670	34.9
173.09546	1.2
173.11871	1.8
173.13206	8.8
175.11229	1.7
175.14751	5.7
177.12756	4.4
179.14319	2.9
183.11681	3.0
184.07391	1.6
185.13240	7.7
187.11185	1.9
187.14844	2.4
189.12727	12.4
193.10124	1.5
195.13780	3.6
197.13263	2.7
199.14798	2.8
207.13768	29.4
209.38058	1.0
213.16394	2.5
215.14334	1.5
217.12502	1.0
225.14821	3.9
227.12740	4.3
229.14171	1.3
229.19412	1.7
231.21066	1.6
239.17955	1.6
241.19501	10.9
243.21042	1.7
251.16704	1.5
253.14291	5.2
254.14830	1.8
257.18951	8.3
259.20547	35.1
260.20819	1.2
261.22134	5.0
269.17438	15.4
273.18552	1.6
274.18781	1.4
275.20026	16.7
279.15918	11.9
281.17432	81.5
282.17761	4.9
283.18213	1.2
291.19464	2.3
292.19775	1.5
293.20963	2.3
297.16827	1.2
313.27377	9.0
331.22604	2.6
333.24231	19.8
335.25824	9.1
349.23764	12.6
365.23349	2.1
366.23425	1.5
367.23825	1.4
373.18875	1.5
377.23056	1.2
419.35205	1.1
429.31290	1.9
435.27310	8.5
435.42896	1.3
444.77686	1.1
447.32388	4.5
457.29218	1.6
459.30994	1.8
465.33487	3.2
472.15729	1.1
475.30496	77.3
476.30695	2.8
479.28873	1.4
483.34973	1.4
487.30453	1.9
499.30487	2.4
521.36285	2.3
527.37109	1.6
529.38672	2.5
537.35516	1.8
539.37256	50.9
540.37689	3.3
555.36749	22.0
557.38263	24.0
571.36066	2.6
572.36432	4.6
573.36963	9.0
573.48798	3.3
579.31555	2.2
591.49915	1.9
647.39587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	11.8
69.07047	0.4
69.34796	2.8
69.35202	0.7
71.04977	1.8
71.08612	0.8
73.02900	3.3
81.03410	5.4
83.01330	0.5
85.02887	100.0
86.03223	0.9
87.04464	2.2
91.03939	6.1
97.02874	24.4
99.04443	4.0
101.02346	0.4
102.08424	0.3
103.03901	0.8
109.02855	8.3
113.92348	0.3
115.03913	1.1
117.05602	0.3
127.03893	28.0
138.51892	0.3
145.04930	58.7
146.05234	0.4
147.04382	0.9
163.05984	31.1
180.08760	0.5
181.07066	0.6
204.08626	0.9
257.17499	0.5
271.07986	0.5
289.09097	1.5
293.19510	29.1
294.19937	0.6
325.11209	10.0
424.63263	0.3
446.13870	0.4
472.27652	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	931.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	0.7
67.05488	1.0
69.03415	0.5
70.76282	1.1
79.05474	1.0
79.19224	0.4
80.05000	0.4
81.03408	0.6
81.07066	0.6
83.04934	0.4
91.05477	1.2
93.05789	0.5
93.07046	1.8
94.06560	2.3
95.04992	0.8
95.07338	1.3
95.08603	0.6
96.08118	4.4
105.07054	0.4
106.06526	0.5
107.04979	0.5
108.08105	6.8
110.09667	7.0
110.10372	0.6
111.04420	0.8
116.04948	0.7
118.06531	0.6
119.04953	1.1
120.04482	1.1
120.08090	5.0
121.10082	0.5
122.06048	1.8
122.09638	0.8
123.04407	3.9
124.07571	3.2
127.03929	0.5
133.10107	0.5
134.06003	0.5
136.07553	6.8
137.09581	0.4
138.09128	9.7
139.03854	2.0
144.04463	0.5
146.06001	1.9
146.09758	0.4
147.04382	2.9
148.07513	2.0
151.03893	2.6
152.07048	0.9
152.67006	0.4
153.01898	0.5
160.03926	0.6
160.07628	1.1
161.05945	0.7
162.05466	0.8
163.03914	1.4
164.07072	0.9
165.05441	0.9
166.08624	9.2
171.02829	0.5
172.03915	2.8
172.07616	0.6
173.05933	0.5
174.05559	0.9
175.03899	1.0
176.07100	0.6
178.08665	0.5
179.03394	0.4
184.07391	0.6
184.10092	0.4
186.09160	0.4
187.03804	0.4
189.05499	0.8
190.04932	3.8
190.06206	0.3
199.08794	0.6
200.07082	0.8
204.06535	3.2
209.10806	0.4
211.08717	0.6
213.05402	0.4
214.08606	1.0
221.10759	0.4
223.08650	1.5
223.12225	0.4
224.09448	0.7
225.10191	2.1
226.08649	0.5
226.10951	0.5
228.06595	1.0
235.08638	2.1
236.09473	1.2
237.10196	7.5
238.11023	1.4
239.08189	0.4
239.11736	2.4
240.06595	0.4
241.05183	0.4
242.08145	3.0
247.08679	0.7
248.09436	1.0
249.10204	11.1
250.10915	4.3
251.08200	4.1
251.11836	6.4
252.09004	0.9
252.12318	0.7
253.09824	1.8
253.13280	0.9
254.08142	1.0
255.11478	0.5
256.09778	0.6
261.10220	2.1
262.10867	2.8
263.08221	2.0
263.11838	7.4
264.08997	1.9
264.12509	0.8
265.09705	14.7
265.13226	1.3
266.10413	0.8
267.11356	2.5
269.09192	0.8
270.07611	3.5
271.06070	1.3
272.09106	3.9
273.10068	0.6
274.10733	3.5
275.08545	0.7
275.11841	2.0
276.09219	0.5
277.09683	6.1
277.12900	0.4
278.10422	2.5
279.11258	7.7
280.12045	0.4
281.09222	2.3
281.12860	1.0
282.10077	0.7
283.06021	1.4
283.10733	4.9
284.06729	1.3
284.11676	0.8
285.12448	1.0
287.05511	0.7
287.11826	1.0
288.09415	0.4
289.07010	0.5
289.09778	2.5
289.12747	0.5
291.08078	0.9
291.11353	3.0
293.09204	0.8
293.12671	0.4
294.10086	0.9
295.10715	3.2
296.11627	1.7
297.12299	10.1
298.13129	0.8
300.08875	0.5
301.09616	1.1
301.13235	0.4
302.10266	0.7
303.08109	1.0
303.11414	1.2
305.09271	1.4
305.12912	0.4
307.10654	2.6
308.11456	0.7
309.09024	0.7
309.12289	6.0
310.13205	1.7
311.10519	0.8
311.13907	2.1
312.14813	0.6
315.11328	1.3
317.09341	1.6
317.12842	0.7
318.10699	0.4
319.10825	1.6
321.08881	0.8
321.12469	1.2
323.10281	11.3
323.13870	1.7
324.10934	1.4
324.14728	0.9
325.11884	2.1
327.11081	0.5
329.09363	1.8
329.12738	0.7
330.16293	0.6
331.10822	1.1
333.12479	0.6
335.06824	0.4
335.10083	2.2
336.11258	1.7
336.14804	0.4
337.11853	1.5
340.14450	0.5
341.11243	8.7
342.11981	1.1
342.16034	0.5
343.10620	1.1
343.13315	1.2
345.08582	0.5
345.12314	2.6
347.10193	0.9
349.11765	0.6
350.74063	0.4
354.12253	2.4
355.13266	4.5
356.13821	3.4
357.08591	0.7
357.14642	1.2
358.15134	0.4
359.10245	1.1
361.11893	0.7
363.13580	1.5
367.13010	5.4
368.13727	1.3
369.14478	6.1
370.15457	1.1
371.10037	2.3
372.17422	0.5
373.11670	1.8
375.13483	0.8
379.13177	0.5
381.12549	0.7
383.10223	1.1
384.17389	0.5
385.11646	2.3
387.09528	0.9
387.13873	1.7
388.16296	0.9
389.11270	0.7
397.11990	0.7
398.13257	0.4
399.09442	5.6
399.13458	0.8
401.11209	1.1
402.14026	0.8
403.13260	1.1
403.18970	0.9
405.14474	1.4
406.17648	0.5
407.12393	1.0
413.11392	1.3
414.18265	0.7
415.13336	1.0
416.16022	1.3
417.14838	0.5
419.12274	4.3
419.17502	0.6
421.13718	0.8
423.15616	1.1
424.14142	0.4
427.12872	1.4
429.10703	1.3
430.12079	0.5
431.12253	3.8
432.13068	0.6
432.18939	0.5
433.13983	1.3
445.13864	3.3
446.16486	0.8
447.16794	0.6
449.13708	0.6
456.15817	0.7
460.18326	1.2
462.20462	0.6
471.12036	1.3
472.12772	1.3
473.13461	1.2
476.17639	1.5
478.19855	0.7
479.15469	0.5
487.15488	0.5
488.18466	0.8
489.12939	1.0
491.14792	1.4
492.14856	0.5
492.21234	1.0
493.15640	1.0
503.14572	1.2
504.15134	4.6
505.16116	1.9
507.20230	4.9
508.20633	3.9
516.15912	0.5
519.19867	0.9
520.13104	0.6
520.20715	10.9
520.28131	0.7
521.21606	1.2
534.16571	1.1
551.14160	0.5
552.17615	0.6
556.20789	0.9
557.19348	1.5
566.18329	0.5
568.20721	0.6
570.22369	0.4
575.20135	8.3
576.19019	0.5
584.20044	0.7
594.18591	1.2
598.21832	0.9
601.17914	0.5
609.23315	1.1
625.20331	1.2
626.21124	0.5
628.22748	1.2
629.23578	7.2
630.24493	1.1
641.26007	3.2
656.21912	3.0
657.23053	13.8
658.23761	1.7
719.26593	3.9
733.94952	0.5
734.22986	0.8
736.24908	1.0
746.23535	2.0
747.26202	1.5
750.28351	0.4
751.29053	1.2
759.25610	0.5
776.24286	1.3
777.25134	5.2
778.25549	1.2
790.25513	0.7
791.26270	2.7
808.27100	11.6
809.27753	100.0
810.28003	9.6
881.30164	1.4
899.31134	14.8
900.31488	1.2
931.33679	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.0
67.05489	45.5
67.38933	0.4
69.03406	2.5
69.06711	0.7
69.07053	8.3
69.40239	4.8
71.04978	13.3
71.08627	0.7
73.02903	2.2
79.05476	26.3
81.03394	2.9
81.07036	64.7
82.07367	0.6
83.04964	2.5
83.08599	6.3
85.02881	8.0
85.03357	0.7
85.06521	6.0
87.04452	0.6
91.03929	4.8
91.05457	19.2
93.07021	28.6
94.07364	0.7
95.04946	3.5
95.08585	22.4
96.04488	0.7
97.02860	5.2
97.06500	3.6
97.10130	2.5
99.04441	0.7
99.08073	1.3
100.11214	0.5
103.05462	0.5
105.07005	11.5
107.04933	0.6
107.07847	1.0
107.08571	17.8
109.06497	2.0
109.10133	11.4
110.10332	0.5
111.08047	2.1
115.03922	0.5
117.06998	3.6
119.08562	7.9
120.78086	0.4
121.06489	0.4
121.10113	14.1
123.08039	1.0
123.11681	10.4
125.09608	1.1
127.03870	2.3
129.05449	0.6
129.06961	0.8
131.08531	6.3
133.10094	15.3
135.07964	0.5
135.11655	8.0
139.11143	0.6
143.08554	0.5
145.04932	1.7
145.10069	4.0
147.11676	3.4
149.09587	0.5
149.13235	5.1
150.38310	0.4
151.11157	5.7
157.10123	0.9
159.11650	4.5
161.13258	2.0
163.05965	2.3
163.14804	1.1
169.12268	0.7
169.55586	0.5
171.11766	0.7
173.13167	3.1
175.14839	0.8
177.12737	1.8
183.11932	0.5
183.13782	2.0
187.13289	3.5
187.14816	1.1
189.68822	0.4
193.12215	0.7
195.13763	1.2
197.13321	0.5
201.16411	0.6
209.11827	0.6
211.13216	0.8
212.59135	0.5
218.62656	0.5
229.14308	1.2
231.17453	0.5
243.15962	0.9
259.20490	0.9
261.22070	2.3
267.15927	0.9
269.17401	4.9
285.16977	1.5
301.16556	0.5
301.19968	9.6
302.20377	0.6
317.24551	0.7
335.25711	21.1
336.26056	0.9
351.28903	1.2
411.32602	0.7
437.33847	0.5
485.36090	2.1
503.37198	63.0
504.37692	4.4
511.38004	0.8
517.38928	2.0
529.38782	15.5
530.39026	0.7
547.39142	0.7
561.41376	100.0
562.41681	7.7
673.42419	0.7
705.45129	2.2
733.77417	0.6
809.15204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.7
67.05495	59.9
69.03419	4.1
69.07054	12.3
69.76762	1.7
69.77191	1.7
71.04580	1.0
71.04982	21.2
73.02908	3.4
79.05480	31.6
81.03407	3.0
81.07043	89.5
82.07374	1.2
83.04975	4.6
83.08605	9.3
83.09095	0.6
85.02894	12.3
85.06536	7.4
85.10226	0.5
87.04421	0.8
91.03943	7.9
91.05466	27.3
93.07027	37.7
95.04958	4.3
95.08591	27.8
97.02866	7.5
97.06505	4.7
97.10150	3.0
99.04414	1.0
99.08098	1.7
101.05990	0.6
105.04514	0.7
105.07014	16.4
107.08572	21.8
109.06512	2.1
109.10140	18.1
109.10905	0.8
109.59914	0.6
110.10432	0.6
111.04424	0.7
111.08061	2.9
115.03911	0.6
117.07004	5.8
117.21073	0.5
119.08558	10.4
121.06493	0.8
121.10123	17.7
123.08047	1.4
123.11690	15.2
125.09598	3.0
127.03941	2.6
129.05470	0.8
129.06990	1.4
131.08548	10.1
133.10109	20.6
135.08128	0.6
135.11673	11.7
137.09596	0.7
137.13275	0.9
139.11140	0.7
143.08540	1.0
145.04919	2.7
145.10109	6.4
147.11670	5.1
149.13242	6.8
151.11150	9.0
153.12750	1.5
155.08496	0.6
157.10132	1.7
159.11665	7.0
161.13219	3.8
163.05989	3.0
163.11145	1.2
163.14784	1.9
165.12759	0.9
169.12177	1.1
171.11671	1.3
173.04411	0.6
173.11710	1.7
173.13264	3.2
175.11160	0.6
175.14873	1.0
177.12743	1.9
177.16449	0.5
181.12140	0.7
183.11847	0.5
183.13777	2.8
184.07420	0.7
185.13269	1.3
187.13281	4.5
187.14873	1.9
193.12195	1.3
195.13811	1.5
199.14853	0.8
201.14777	1.2
211.15001	0.5
221.91356	0.5
223.09772	0.5
225.14830	1.0
227.16400	2.3
229.14290	4.1
243.15916	0.9
243.21104	1.2
253.18030	1.7
257.17456	2.2
259.20572	1.5
261.22092	2.5
269.17392	4.8
271.49939	0.5
285.16910	1.6
301.16727	0.9
301.20029	19.8
317.24594	0.6
335.25769	17.7
336.26086	1.1
351.28842	1.2
383.24475	0.8
393.31558	0.7
399.23865	1.4
411.32629	1.7
437.34134	2.2
445.24481	0.9
448.25980	0.6
455.35147	1.2
485.36404	4.4
503.37241	76.8
504.37592	6.8
511.38065	2.5
517.38751	2.5
529.38818	32.8
530.39160	2.9
547.40240	1.4
561.41418	100.0
562.41711	9.1
705.44977	1.7
723.42883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	3.1
67.05496	37.2
69.03407	4.6
69.06725	1.1
69.07058	13.6
69.43719	0.8
69.43997	8.9
71.04965	4.0
73.02886	2.8
79.05479	41.2
81.02908	1.2
81.03404	35.7
81.07039	44.8
82.07369	1.1
83.04965	9.7
83.08604	20.1
85.02419	1.6
85.02894	21.4
85.06516	3.7
91.03937	5.8
91.05465	58.6
93.07029	48.8
95.04952	19.3
95.08588	25.7
97.02872	7.8
97.06503	5.0
97.10163	5.2
98.21430	1.8
99.04413	1.2
99.08057	2.2
103.05440	1.0
105.04409	1.0
105.07011	60.9
106.03203	0.9
107.04929	7.2
107.08575	24.8
109.06497	4.8
109.10137	11.8
111.04408	2.4
111.08053	6.9
113.05978	1.8
113.09701	1.3
115.05394	2.7
117.06992	14.0
119.08558	48.1
121.06460	3.7
121.10126	21.1
123.04435	1.2
123.08035	3.5
123.11700	3.4
125.05886	1.0
125.09610	2.9
127.03847	1.7
127.07516	1.3
128.06200	2.6
129.05490	1.4
129.06996	14.8
131.08540	27.0
133.06499	2.2
133.10109	38.5
135.08002	1.9
135.11664	15.1
137.05981	1.3
137.09583	1.9
137.13229	0.9
141.06976	1.1
142.07700	2.2
143.08530	9.7
144.09340	1.1
145.04875	1.5
145.10104	19.6
147.08025	3.4
147.10480	1.9
147.11658	36.7
149.09590	5.3
149.13231	7.9
151.11127	1.2
155.08517	3.1
157.10094	17.7
159.07988	1.4
159.11656	13.3
161.13220	18.9
163.06020	1.6
163.11145	2.3
163.14716	2.0
165.12730	3.9
167.08524	1.3
169.10106	3.7
171.07927	1.3
171.11639	10.5
173.13216	8.9
175.11172	9.1
175.14818	6.8
177.12651	1.1
181.10094	1.5
183.11632	3.1
185.13202	7.9
187.14781	2.8
189.12633	1.9
193.12213	24.3
195.11523	1.9
197.13277	2.3
199.14787	4.1
209.13318	1.6
211.13225	29.8
213.16444	1.3
215.17894	2.0
217.16019	1.3
217.64639	1.1
223.14807	1.6
227.12794	3.1
229.14313	2.0
231.21010	5.5
241.19444	18.7
248.86824	1.0
257.18979	1.6
259.20529	57.6
260.20853	1.6
261.22064	1.7
267.15863	13.8
269.17294	2.3
275.19904	1.7
277.21637	1.2
283.15375	3.0
283.20724	1.1
285.16910	34.0
297.21960	1.2
299.23730	1.0
301.16196	1.0
301.21481	1.3
315.23273	5.8
327.23013	1.3
331.22504	1.3
333.24176	44.9
334.24670	1.5
335.25967	1.3
403.24805	1.7
415.29742	2.7
421.25684	1.1
433.31064	5.9
451.32175	8.2
469.33124	3.4
507.34653	3.8
515.37158	3.0
525.35675	37.4
543.36743	100.0
544.36902	4.9
561.37860	5.6
651.38483	2.2
669.39020	1.7
687.40576	2.7
935.26233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	2.6
65.56530	0.6
67.05492	40.1
69.03416	4.2
69.07055	14.0
69.51694	2.2
69.52127	3.4
71.04984	3.9
71.08602	0.9
73.02901	3.8
79.05477	45.3
81.03402	45.0
81.07040	46.1
83.04965	12.6
83.08603	19.5
84.72809	0.5
85.02888	25.7
85.06516	3.7
91.03951	7.4
91.05463	62.5
93.07025	50.3
95.04347	1.4
95.04953	23.3
95.08586	26.1
97.02871	7.2
97.06509	6.7
97.10144	6.1
99.04436	1.3
99.08087	3.0
101.05992	0.6
103.05429	1.4
105.04530	1.1
105.07011	57.8
105.59246	0.6
106.07337	1.0
107.04946	7.5
107.08570	25.8
109.02868	1.6
109.06501	6.1
109.10130	12.1
111.04443	2.3
111.08057	9.1
111.11692	0.8
113.05991	1.9
113.09643	0.9
115.03922	0.7
115.05437	2.8
117.06990	14.7
119.08558	44.8
120.08880	1.1
121.06497	4.6
121.10118	21.2
123.08013	3.6
123.11672	4.1
125.09598	3.8
127.03889	2.3
127.07528	1.0
128.06216	2.5
129.05519	1.1
129.06976	16.8
130.07787	0.8
131.07718	0.4
131.08540	25.9
133.06532	2.8
133.10106	40.2
135.08057	2.4
135.11671	13.2
137.09599	2.6
141.06932	1.8
142.07750	3.4
143.08546	7.9
145.04953	2.1
145.06436	0.8
145.10089	17.1
147.08017	4.3
147.11661	36.8
149.09598	8.0
149.13237	8.7
151.11148	1.1
155.08522	3.1
157.10101	18.0
159.11673	15.4
161.09619	2.0
161.13226	17.4
163.05998	2.8
163.11153	3.8
163.14873	2.3
165.12775	2.9
167.08562	1.0
169.10107	3.9
171.10214	1.2
171.11664	10.8
173.09619	0.8
173.11760	1.0
173.13210	7.6
175.11143	11.9
175.14772	8.3
177.12773	1.3
179.14301	0.8
181.10094	1.6
181.12234	0.9
183.11659	3.4
184.07414	0.9
185.09625	0.6
185.13231	7.6
187.14798	2.7
189.11252	1.1
189.12759	2.0
189.16403	0.7
191.10669	1.3
191.14278	1.1
193.12207	27.6
194.12466	0.6
195.11739	1.6
195.13647	0.8
197.13254	2.5
199.11205	1.0
199.13242	1.1
199.14787	4.5
201.12810	0.7
201.16428	1.0
203.14304	1.3
203.17924	0.9
207.11726	0.9
209.13255	1.7
211.13234	40.4
213.16417	1.8
215.18042	1.4
217.16032	1.4
217.19539	0.9
219.11676	0.7
221.13332	0.8
223.14812	1.1
227.12711	5.6
229.14168	3.3
231.17537	1.2
231.21065	3.3
235.14871	1.1
241.19466	17.1
242.19861	0.7
243.21078	0.9
257.18954	2.7
259.20535	44.7
260.20956	0.8
261.22153	1.8
265.14273	1.5
265.19559	0.8
267.15857	18.5
267.18527	1.2
269.17264	3.4
275.19968	3.5
277.21637	2.0
283.15295	4.3
283.20560	1.8
285.16901	48.8
286.17349	1.4
295.20520	0.9
297.21991	1.3
299.23697	1.4
301.21588	1.1
315.23181	4.9
327.23401	0.8
331.22784	0.9
333.24173	39.2
334.24597	1.0
335.25797	1.3
337.21249	0.9
339.23148	0.9
345.24323	0.8
349.23587	1.9
351.25204	0.9
367.22632	1.3
377.70364	0.6
415.29895	2.6
421.25864	2.0
423.32523	0.9
425.57333	0.8
433.30972	7.7
435.27521	1.4
439.26691	1.2
441.33463	0.8
451.32098	6.7
463.30429	1.1
469.33145	3.2
471.32172	0.7
487.34622	1.1
489.33835	1.2
507.34833	2.9
515.37341	4.0
525.35638	37.9
526.36133	1.5
543.36713	100.0
544.37158	3.6
560.36450	1.0
561.38092	5.5
585.37140	0.9
596.35632	1.9
633.37744	0.8
651.38770	2.3
669.40063	1.9
687.40686	2.4
705.41711	1.8
920.52307	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	2.4
67.05492	51.5
69.03416	5.1
69.07056	14.2
69.07444	0.4
71.01355	1.3
71.04979	3.1
71.08620	0.7
73.02909	6.7
73.06565	0.4
77.03923	0.7
78.04699	0.4
79.05478	39.5
80.05856	0.5
80.06245	2.0
81.03403	13.2
81.07040	48.2
82.03781	0.4
82.04189	2.6
83.04964	8.4
83.05438	0.6
83.08603	9.8
84.02134	0.4
84.05764	0.9
85.02889	16.2
85.03400	0.8
85.06515	2.9
85.10165	0.4
87.04462	0.8
91.03943	7.9
91.05465	29.7
92.06242	0.6
93.07027	41.9
94.04192	0.5
94.07860	0.6
95.04952	13.5
95.08588	35.1
96.04477	0.6
96.05779	0.6
96.08923	0.4
97.02874	8.6
97.06514	6.3
97.10147	10.3
98.07298	3.3
99.04462	1.7
99.08081	1.7
101.02345	0.6
101.05997	0.9
103.03938	0.8
103.05458	1.2
104.06215	0.6
105.04508	1.0
105.07008	20.6
106.65492	0.4
107.04946	3.8
107.08574	25.4
108.05740	0.5
109.02871	1.0
109.06500	3.8
109.10136	19.8
110.07293	0.4
111.04446	1.1
111.08057	5.0
111.08755	0.5
111.11715	0.5
113.05993	1.0
115.03935	0.7
115.05436	1.3
116.04691	9.2
117.06997	8.6
119.08558	16.9
121.06474	3.2
121.10121	18.6
123.08035	5.3
123.11681	5.6
125.09605	12.3
127.03894	3.1
127.07536	0.6
127.11199	1.6
128.06194	0.7
129.05458	24.2
129.06912	5.0
130.07788	0.8
131.08543	13.6
131.09496	0.7
132.09328	0.5
133.06470	0.8
133.09085	0.7
133.10107	14.7
135.08028	2.6
135.11662	11.3
136.08792	0.4
137.09575	2.1
137.13245	1.7
139.11163	1.3
142.07759	0.8
143.06998	5.2
143.08548	2.2
143.10667	1.2
145.04948	3.8
145.06479	0.5
145.10089	9.2
147.08035	1.1
147.11650	11.2
147.12759	0.7
149.09605	2.7
149.13231	7.5
151.11169	1.6
153.09073	1.3
153.12778	1.1
155.07178	0.5
155.08563	1.0
155.10690	0.6
157.08601	10.2
157.10115	5.2
158.05786	0.5
159.11673	5.8
161.09641	0.6
161.13231	5.7
163.05972	3.9
163.11182	3.4
163.14781	3.2
164.11861	0.4
165.12747	2.2
169.10094	0.9
171.06502	0.9
171.10164	3.7
171.11690	1.8
173.09671	0.9
173.11711	1.4
173.13254	4.7
175.11131	2.9
175.14822	1.8
177.12747	0.9
177.16328	0.7
179.10760	0.5
179.14256	0.6
181.10101	0.5
181.12276	0.7
183.11644	1.2
184.07321	0.9
185.11740	0.9
185.13263	1.3
187.14757	2.9
189.11192	5.3
189.12711	0.6
189.16373	1.0
191.10667	1.1
191.14368	0.5
193.12202	8.2
195.13733	0.4
197.13252	0.8
199.13307	2.7
199.14845	1.1
200.14059	1.7
201.12804	0.5
201.14751	0.5
201.16415	1.0
203.18050	0.5
205.15929	0.4
209.11641	2.4
209.13408	0.4
210.12485	0.7
211.13206	5.9
211.14864	0.6
215.14294	0.4
215.17740	0.5
217.14241	1.0
217.19498	0.5
219.13878	0.5
219.17429	0.7
227.12727	8.4
227.14835	0.5
229.14284	3.6
231.20988	0.5
233.22510	0.5
241.19559	1.2
243.21040	3.6
255.15710	1.9
259.20508	2.2
261.22079	11.1
261.24796	0.6
267.15863	7.3
269.17358	0.7
273.21796	0.4
275.20004	0.8
277.21591	5.8
279.23190	0.5
283.15363	5.3
284.16025	0.4
285.16922	4.5
287.20166	0.4
287.23474	0.5
289.21808	0.5
293.20929	0.7
297.22238	0.4
299.23682	0.7
301.16400	61.0
302.16727	1.4
310.00110	0.4
311.18439	0.5
315.23123	2.2
317.21396	0.4
317.24561	2.2
325.23724	0.5
327.23117	0.6
333.24237	1.4
335.25739	72.6
336.26166	2.0
351.25302	1.8
389.26865	1.2
417.30130	0.6
433.29932	0.8
451.31827	1.0
453.28363	0.6
459.34781	0.9
469.33112	1.5
473.33078	0.5
477.35416	0.5
487.33893	0.9
489.36023	2.0
493.31732	0.5
509.36539	0.7
515.36938	0.4
525.35522	1.5
527.37225	7.9
528.37512	0.6
543.36700	7.4
544.37366	1.9
545.38342	4.4
561.37750	100.0
562.38177	3.9
579.38702	1.7
920.54108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03889	1.9
67.05490	45.5
68.05812	0.5
69.03069	0.4
69.03411	5.2
69.07055	11.9
69.35213	2.1
69.35648	1.9
70.04174	0.5
71.01301	0.5
71.04971	2.7
71.08581	0.8
73.02901	7.0
77.03889	0.5
78.04676	0.7
78.21475	0.4
79.05476	36.1
80.06220	1.2
81.03402	12.5
81.07041	42.1
82.03796	0.4
82.04177	3.6
83.04964	9.3
83.08602	10.6
84.05747	0.5
85.02885	14.6
85.06529	2.3
87.04419	1.2
91.03400	0.5
91.03937	8.7
91.05460	25.4
93.07022	33.7
94.04145	0.7
94.07774	1.1
95.04946	12.3
95.08585	30.6
96.05715	0.6
97.02264	0.6
97.02865	9.4
97.06512	7.0
97.10150	11.4
97.82673	0.4
98.07303	5.1
98.21552	0.8
99.04375	1.5
99.08081	0.9
101.05954	1.2
103.03886	0.5
103.05401	0.6
103.94238	0.4
105.04494	0.6
105.06291	0.6
105.07008	18.3
107.04913	3.5
107.08572	24.8
108.09312	0.6
109.02814	1.1
109.06501	3.5
109.10131	16.6
111.04382	1.2
111.08053	4.0
113.05956	0.5
113.09588	0.5
115.03899	0.6
115.05370	0.9
116.04691	12.9
117.05444	0.4
117.06980	7.0
119.08555	14.6
120.09289	1.0
121.06483	2.1
121.10120	16.9
121.11005	0.8
123.08054	4.5
123.11687	4.8
125.09602	13.1
127.03881	2.5
127.07477	0.6
127.11137	0.5
129.05452	29.6
129.06879	3.7
130.07736	0.9
131.07579	0.7
131.08539	13.2
133.06497	0.5
133.10103	12.2
135.08049	3.0
135.10681	0.7
135.11662	12.9
136.08739	0.5
136.12337	0.6
137.09595	2.3
137.13167	1.2
139.07539	0.5
139.11157	0.9
142.07727	0.8
143.06010	0.6
143.06969	7.8
143.08487	1.4
145.04918	4.5
145.06070	0.5
145.06441	0.4
145.10092	8.1
147.08015	0.7
147.11655	10.7
149.09604	3.1
149.13223	5.8
151.11118	1.2
153.09033	1.1
153.12680	1.2
155.08472	0.8
156.74179	0.5
157.08539	14.9
157.10052	6.2
158.05647	0.7
159.11635	5.6
161.13243	4.3
162.13835	0.4
163.06003	4.5
163.07288	0.7
163.11148	3.5
163.14786	2.3
165.12672	1.4
167.07025	0.4
167.08459	0.5
169.10072	1.0
171.06508	0.6
171.10103	5.2
171.11609	2.0
173.04465	0.6
173.09557	1.0
173.11671	2.0
173.13196	4.8
175.11150	3.7
175.14764	1.8
177.12675	1.0
177.16357	0.7
179.14235	0.6
181.12161	1.1
183.11623	0.9
185.11665	1.5
185.13211	1.6
187.14751	1.5
189.11195	7.6
189.12698	0.6
189.16318	0.8
191.14307	0.8
193.12201	9.5
197.13194	0.7
199.13225	4.2
199.14813	0.9
200.14008	2.9
201.16354	0.8
205.15672	0.5
207.13754	0.4
209.11673	1.3
210.12430	0.9
211.13231	6.9
215.17845	0.7
217.14209	1.1
227.12747	9.3
229.14276	3.0
231.17386	0.5
233.22617	0.5
241.14305	0.5
241.19478	0.7
243.21019	3.6
251.19952	0.6
255.15884	1.1
257.19537	0.4
259.20547	2.8
261.22095	9.2
267.15848	5.8
268.16382	0.6
269.17535	0.6
277.21594	4.6
283.15326	2.3
284.16162	0.7
285.16916	3.3
295.22864	0.5
297.22250	0.5
299.14850	0.6
299.23816	0.7
301.16391	100.0
302.16733	3.4
315.23138	2.4
317.24881	2.0
327.23157	0.5
333.24194	1.1
335.25739	58.3
336.26129	2.3
351.25232	2.6
374.05493	0.4
377.27136	0.5
389.27066	0.9
417.30896	0.6
433.30161	0.6
435.32132	0.6
451.31891	1.3
453.28079	0.8
459.35092	0.5
463.21552	0.5
467.30115	0.6
469.33118	0.6
473.32690	0.4
487.34036	1.1
489.35852	1.1
509.36627	0.7
527.37158	7.0
527.44427	0.6
528.36780	0.7
543.36572	2.3
544.37354	0.9
545.38208	2.9
546.58014	0.5
561.37744	54.2
562.38135	4.3
579.38965	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.5
67.05495	50.0
69.03416	3.5
69.07058	12.0
69.12495	0.7
71.01330	1.7
71.04982	3.1
71.08223	0.8
71.08620	21.1
73.02917	2.9
79.05482	17.8
81.03404	5.4
81.07041	29.3
82.07371	0.7
83.04956	3.6
83.08126	1.1
83.08610	15.3
85.02891	19.7
85.06523	2.3
85.10172	11.3
86.82851	0.6
87.04461	4.4
89.06015	2.3
90.04566	0.7
91.03938	7.5
91.05462	9.3
93.07030	12.4
93.36258	0.7
95.04971	4.2
95.08591	26.1
96.08922	0.7
97.02867	7.6
97.06503	1.9
97.09524	1.1
97.10151	19.1
98.73866	0.6
99.04439	1.6
99.08081	0.7
103.03908	1.2
103.07565	0.9
105.07011	5.0
107.04935	2.1
107.08573	11.8
109.02848	0.6
109.06486	1.7
109.10139	39.1
111.04422	2.0
111.08060	2.4
117.07029	3.0
118.07233	0.6
119.08548	5.9
121.06479	1.5
121.10140	4.7
123.08048	1.3
123.11678	2.7
124.99883	0.6
125.05979	0.8
125.08733	1.1
125.09603	14.3
127.03891	2.3
129.06987	0.8
131.08556	4.0
133.10100	2.8
135.07985	0.8
135.11699	3.4
137.09584	1.8
137.13222	1.5
139.03888	2.1
143.08553	0.7
143.10678	3.3
145.04945	3.0
145.10077	3.1
147.07948	0.7
147.11632	2.2
149.09584	0.9
149.13184	1.4
153.12650	1.3
155.10652	1.8
157.10143	1.2
159.11726	1.9
160.11229	1.0
161.13240	1.0
163.03903	1.0
163.06001	2.4
163.11136	3.0
169.10185	0.7
171.11624	0.9
173.09570	1.1
173.11720	10.2
173.13144	1.2
181.12244	0.8
184.07236	1.0
189.11180	1.4
191.10623	1.6
193.12248	1.0
199.13272	12.7
199.14963	1.2
209.11670	3.7
217.14232	1.1
223.13228	5.3
223.14720	0.5
227.12752	10.0
229.14313	45.1
229.61786	0.7
239.23671	3.5
257.13742	1.2
257.24747	1.7
258.08868	1.2
261.22122	1.9
267.15881	2.7
283.15378	4.3
297.16873	7.8
299.14859	0.8
300.15021	0.8
301.16418	30.3
308.77167	0.6
313.27316	100.0
314.27588	3.0
319.17374	0.9
335.25723	13.7
341.26758	1.9
437.36203	5.6
441.17081	0.9
455.37256	18.4
463.21808	1.1
467.37271	30.2
469.92789	0.8
489.35641	5.2
499.97543	0.7
505.38712	1.4
521.38116	3.2
539.39319	21.9
557.38855	15.3
558.39453	0.8
595.89386	0.7
701.44110	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.5
66.22050	0.6
67.05495	45.3
69.03421	1.7
69.06714	0.8
69.07060	13.0
69.49443	1.9
69.49863	3.2
71.04993	3.1
73.02905	1.3
73.06559	1.5
77.03927	1.7
79.05481	67.2
81.03411	5.7
81.07045	46.3
83.04967	8.7
83.08611	7.0
85.02877	5.7
85.06541	3.2
91.03978	3.0
91.05468	63.9
92.05815	1.4
93.07030	68.1
95.04350	1.1
95.04958	14.9
95.08595	31.2
97.02877	3.6
97.06514	5.5
97.10149	3.7
98.20734	1.1
99.04480	0.7
99.08082	1.6
103.03808	0.7
103.05457	1.6
105.04512	2.0
105.07014	65.0
106.07330	1.3
107.04940	6.7
107.08579	26.9
109.06502	4.9
109.10129	9.3
111.08095	1.5
113.09585	0.8
115.05444	2.2
117.06999	15.6
119.08564	49.5
120.08880	0.8
121.06489	3.2
121.10135	13.7
123.08050	5.4
123.11710	2.5
125.09611	1.6
125.47813	0.7
127.03898	1.4
127.07545	0.6
128.06186	2.6
129.05504	1.1
129.06985	15.9
130.07764	1.1
130.86127	0.6
131.08554	16.1
133.06485	1.4
133.10112	30.0
134.10542	0.6
135.08012	2.8
135.11676	13.7
137.09599	1.7
139.03882	0.7
139.07545	0.6
141.06949	1.1
142.07701	1.4
143.08549	12.7
145.04944	0.8
145.10101	20.4
146.10448	0.6
147.08015	3.0
147.11665	46.9
149.09586	1.9
149.13232	6.6
151.11179	1.1
155.08534	2.6
156.09322	0.9
157.10112	7.6
159.08063	0.9
159.11673	13.6
161.09608	3.7
161.13231	27.2
163.11168	2.5
163.14816	2.8
165.12732	1.0
167.08549	0.7
169.10075	4.1
171.11668	25.9
173.13223	9.2
175.11276	0.7
175.14813	11.8
177.12711	2.4
179.14262	0.7
181.10095	1.2
183.11687	3.0
185.13249	6.4
187.11189	1.4
187.14816	2.7
189.12737	6.3
189.16391	1.1
191.14340	0.9
195.11694	1.5
195.13847	0.9
197.13252	2.0
199.14796	4.9
201.16544	0.8
205.12186	1.0
207.13756	18.7
209.13187	0.9
211.14787	0.9
213.16382	1.9
215.17941	1.2
217.15976	0.7
217.19553	1.0
223.14845	1.0
227.16031	0.7
231.17429	1.0
231.20979	3.7
239.17944	1.3
241.14252	1.7
241.19485	24.5
243.21057	1.5
245.76282	0.7
247.16885	1.4
257.19107	2.9
259.20547	53.0
260.20917	1.1
261.22125	2.1
275.20117	1.0
277.21567	1.2
279.15894	16.4
279.18799	1.1
281.17441	62.3
282.17603	0.9
283.18964	1.7
297.16949	2.6
297.22141	0.6
299.19318	0.7
309.21939	0.7
313.21320	0.7
315.23193	5.3
331.22714	1.4
333.24200	35.6
334.24612	1.8
367.22372	0.8
429.31375	2.7
447.32468	8.1
465.33487	6.0
483.34741	4.5
485.33923	0.7
501.35788	2.0
521.36060	4.3
529.38849	2.7
539.37250	100.0
540.37769	5.0
557.38293	36.6
558.38519	1.7
647.38928	2.1
665.40320	1.3
683.41132	1.5
701.42249	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	914.5661
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01859	0.4
66.02225	0.3
67.05491	11.2
69.03406	2.1
69.06710	0.5
69.07054	6.0
71.04971	1.5
71.08615	15.8
71.22842	0.9
73.02894	1.2
75.41151	0.3
79.05479	5.7
81.03400	51.3
81.07038	14.6
83.04962	2.9
83.08602	16.0
83.09103	0.7
85.02882	4.6
85.06503	0.5
85.10165	11.0
89.06022	0.8
91.03938	3.1
91.05461	8.8
93.07021	6.3
93.78507	0.4
95.04951	15.2
95.08585	14.9
97.02877	3.2
97.06496	1.7
97.10152	4.3
99.04444	0.4
99.08077	0.6
99.11753	0.5
103.03938	0.4
103.07568	0.9
105.07015	6.8
107.04939	3.2
107.08569	2.8
109.02865	0.9
109.05862	0.3
109.06491	1.8
109.10130	6.7
110.56517	0.4
111.04450	1.2
111.08067	4.2
111.11697	0.9
115.05430	0.6
117.06999	1.2
119.04907	0.8
119.08556	6.6
121.06478	1.4
121.10111	3.0
123.04416	1.5
123.08041	0.8
123.11651	2.3
125.09624	0.4
125.13196	0.4
127.03901	1.6
129.06987	5.6
129.43307	0.4
131.08546	4.5
133.06451	1.7
133.10109	3.3
135.08055	0.4
135.11618	0.7
137.09601	0.9
137.13239	1.4
142.07739	1.3
143.08524	0.5
145.04901	1.8
145.10139	0.7
147.04373	0.9
147.08032	2.2
147.11636	4.6
149.09578	2.6
150.28664	0.3
151.14723	0.5
157.10098	6.2
159.11655	0.4
163.05992	2.7
163.11194	1.4
165.12770	1.1
171.11641	0.4
175.11136	6.2
175.12508	0.5
193.12207	20.4
205.12180	0.4
207.13875	0.7
208.86261	0.4
211.13316	1.3
221.22514	0.5
235.13248	1.4
239.23651	1.8
249.14850	1.5
257.24677	1.5
259.13309	1.6
267.15857	100.0
268.16098	2.2
271.13403	0.3
273.14932	1.1
299.18503	0.5
301.14285	2.2
309.16788	2.2
313.27295	96.4
314.27594	2.5
319.15363	1.2
333.16913	0.5
375.17914	0.8
393.19086	0.5
403.77457	0.4
409.15173	0.4
418.19830	0.4
431.35144	0.5
486.75677	0.5
505.38779	82.3
506.39056	3.2
523.39691	3.6
547.39850	6.2
548.39948	0.5
555.39984	0.6
565.40723	1.0
571.39447	0.5
589.40924	1.1
601.40912	2.5
613.40778	1.6
631.42139	2.7
649.42914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	0.6
67.05499	13.0
69.03426	0.8
69.07062	7.9
70.06585	0.3
71.04976	0.9
71.62776	0.3
73.02909	0.4
73.06522	0.3
77.03911	0.4
79.05482	15.7
81.03407	2.6
81.07046	15.9
83.04974	3.5
83.08604	2.4
85.02902	1.0
85.06528	0.7
86.09703	0.4
87.04428	0.4
91.05467	19.4
93.07030	16.8
95.01324	2.1
95.04955	4.9
95.08591	10.4
97.02901	0.7
97.06520	13.9
97.10157	1.0
99.08066	0.4
103.05470	0.6
105.07018	22.9
107.04943	5.8
107.08582	7.0
109.06511	1.9
109.10143	2.4
111.04417	0.2
111.08070	1.1
115.05476	0.6
117.06999	4.0
119.04909	0.2
119.08567	13.9
121.06474	1.9
121.10120	3.0
123.04414	0.8
123.08040	2.1
123.11689	0.6
125.09618	0.9
127.03895	0.3
128.06195	0.7
129.06981	3.1
131.06990	0.2
131.08554	5.9
131.09502	0.4
132.09261	0.3
133.06476	0.4
133.10115	12.4
135.08054	1.1
135.11682	2.2
137.09634	0.7
139.07544	0.9
141.06995	0.4
142.07846	0.3
143.08549	2.1
145.06454	0.6
145.10095	5.2
147.08032	0.6
147.11668	10.0
149.09627	2.4
149.13260	1.0
151.11198	0.8
155.08551	0.7
157.10136	1.0
159.08060	0.4
159.11682	3.2
161.09613	0.9
161.13245	3.6
163.11172	1.9
165.09129	0.8
169.10071	1.2
171.11664	5.2
171.13106	0.3
173.04533	0.3
173.13231	1.2
175.11104	0.3
177.12704	1.1
179.14264	3.8
183.11674	0.5
184.07317	0.5
185.13380	0.3
187.11157	1.1
187.14841	0.3
189.12756	1.3
197.13295	0.4
199.14499	0.2
207.13815	2.3
215.14252	0.4
229.19572	0.6
239.17969	0.5
241.14352	0.6
241.19910	0.2
247.20599	0.3
257.18948	1.5
259.20505	1.3
263.16370	1.0
275.20029	22.2
276.20383	0.3
279.15860	2.1
281.17438	18.6
293.21088	1.1
297.17047	0.3
311.25598	0.3
349.23703	11.1
367.24530	0.3
377.22961	0.4
425.21381	0.4
474.52100	0.2
527.37048	0.4
537.35632	1.9
555.36743	100.0
556.36853	3.3
573.37738	2.0
635.39288	0.5
699.40570	0.5
914.48969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	0.3
67.75050	0.2
68.05021	0.8
70.02938	1.6
70.06576	100.0
70.11263	1.0
70.54395	0.2
71.06900	0.7
72.08139	16.2
74.02444	0.3
77.03898	0.3
79.05460	0.4
80.05007	0.2
81.03387	0.8
82.06571	0.4
85.04002	0.6
87.05569	2.6
87.92957	0.2
88.03973	6.9
91.05462	11.2
93.07029	0.3
95.04929	0.6
95.06055	0.5
96.08137	0.3
97.04006	0.5
97.07646	0.7
98.02390	1.0
98.06026	1.9
98.20844	0.3
100.92937	0.2
103.05456	1.3
105.03355	0.5
105.06998	0.6
106.06552	1.3
107.04932	1.9
107.08566	0.2
107.44980	0.3
109.07633	0.4
110.02398	0.6
113.03448	0.8
115.05470	0.3
115.08673	0.9
116.04975	0.9
116.07072	0.7
117.05723	0.5
117.07018	0.3
118.06516	24.4
119.04920	3.0
119.07381	1.2
119.88612	0.2
120.08080	5.2
121.02858	0.7
121.07597	0.3
122.06032	0.9
123.04414	0.6
124.08780	0.2
125.03522	0.3
125.07085	15.6
126.05508	0.4
127.08680	0.3
129.06985	0.4
130.06502	2.0
131.04909	1.0
132.04425	0.8
132.08083	0.7
133.06516	0.3
134.05988	7.0
135.04364	0.5
135.06757	1.0
136.07556	10.2
136.08632	0.9
137.06013	0.4
137.07014	2.7
139.08647	0.4
141.02931	0.9
142.06071	1.6
143.08322	0.4
144.04504	0.3
144.08031	0.7
145.06509	0.6
145.07602	0.6
146.05975	50.5
147.04378	0.6
147.06337	0.8
147.11603	0.3
148.07523	1.0
149.07097	1.1
150.05457	0.6
150.06622	1.7
150.07864	0.7
150.80902	0.2
151.08624	0.5
152.08179	0.8
153.06575	0.6
155.06013	0.3
156.04446	0.7
158.06030	1.5
160.03844	0.3
160.07565	1.4
160.11150	0.7
161.05896	0.4
161.07082	0.4
162.05466	9.0
163.08655	1.1
164.08235	0.4
165.05415	1.2
165.08939	2.7
166.09749	0.3
167.06981	1.3
167.08194	3.1
168.06584	0.9
170.05916	0.8
171.07590	1.8
172.04045	0.3
172.07523	1.4
172.11200	2.2
173.05780	1.5
173.07262	1.6
174.05502	2.5
175.08701	0.4
176.07030	0.5
176.10712	0.8
177.05292	0.6
177.06664	0.7
178.04947	0.3
179.08479	0.5
181.04971	0.9
182.08086	2.1
182.09473	0.4
183.07935	0.5
184.07381	0.3
185.09178	12.1
186.05489	0.3
186.09509	0.3
187.08653	0.7
187.12296	0.9
188.06996	2.2
188.10704	0.4
189.06592	1.3
190.12302	0.3
191.08287	0.8
192.06543	0.8
193.08472	0.9
194.09314	0.7
195.07649	2.5
195.09268	0.3
196.06041	6.3
196.08397	1.0
197.07056	0.8
197.10785	0.8
198.05482	1.2
198.09082	0.5
199.12311	1.0
200.07066	0.4
201.06558	0.5
203.08177	0.5
204.06496	0.3
205.09698	0.8
206.11786	0.8
207.07980	0.8
210.08835	0.3
211.07503	0.5
211.09509	0.9
212.10373	0.5
213.06624	0.4
213.08614	4.8
214.05026	0.7
215.04530	0.4
215.08279	1.4
215.11780	0.7
216.06520	3.8
217.06000	1.8
217.13358	2.1
222.09041	0.4
223.07259	0.2
224.11966	2.6
225.10204	3.6
226.13383	1.3
227.11755	0.9
231.07623	1.1
232.10728	2.6
233.09099	0.8
233.12787	2.5
234.09003	1.1
234.11221	1.9
235.07466	0.3
236.10680	0.9
239.06996	0.6
241.06117	0.2
242.04492	0.6
243.07671	0.6
243.11154	1.4
246.09074	0.7
248.10432	0.4
250.09155	0.3
250.11768	1.6
251.11792	0.8
252.11412	6.9
253.09631	0.6
254.12816	7.4
255.11153	0.4
257.05380	0.4
258.08795	0.3
259.07114	3.1
260.10257	15.9
261.12332	10.7
261.15146	0.3
262.08539	0.5
262.12576	0.4
263.11765	0.4
267.07352	0.3
267.11453	0.4
270.12408	0.6
273.12305	0.3
276.09692	6.3
278.12875	0.7
279.11237	0.7
280.10776	2.6
281.06192	0.2
281.09076	2.0
281.14914	1.1
286.10739	3.8
288.09985	0.4
289.11902	0.8
291.11407	0.3
294.12292	1.2
296.13782	1.1
297.12335	0.6
298.08472	0.5
298.11792	5.4
302.07556	0.6
307.12762	3.2
312.13455	1.0
313.11603	0.3
314.14969	4.4
316.09238	0.3
317.12570	0.3
321.12415	0.3
322.11722	1.6
323.10089	1.8
332.15979	0.4
333.12454	0.3
340.12848	6.9
341.10941	0.2
341.18790	0.3
351.16827	0.4
357.15512	0.4
358.13892	39.6
359.14221	1.9
375.16611	5.2
376.12762	0.6
378.14386	1.5
385.17447	4.2
393.15381	0.2
395.16949	0.6
399.57031	0.2
401.14948	0.3
404.12299	0.4
421.14981	1.8
442.19617	0.4
455.15717	0.3
472.18234	0.7
475.19501	0.7
491.19156	0.5
492.22122	0.8
493.20630	0.3
503.19406	0.3
519.18317	0.2
520.22058	1.3
556.24304	1.5
572.20728	0.6
589.24036	0.4
590.22211	2.4
591.24225	0.4
607.25049	2.9
615.21753	0.7
616.20172	1.1
618.24792	0.3
633.22986	3.7
634.22864	0.4
673.29993	0.3
684.26453	1.0
687.27374	0.5
701.29077	6.2
702.29248	0.7
715.27295	0.9
732.29626	1.1
772.32495	0.6
781.30615	0.4
798.34058	2.7
799.29407	1.4
837.31293	0.3
868.33594	0.4
878.33093	1.2
879.31995	0.9
895.35193	0.9
896.34320	8.0
897.34698	0.7
913.37030	23.7
914.37219	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	910.5717
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03911	0.6
67.05497	10.7
69.03416	2.9
69.07060	5.9
69.67229	2.1
71.04974	2.3
71.08624	12.6
71.08989	0.5
73.02913	2.2
77.03852	0.4
79.05485	10.5
81.03409	28.1
81.07047	16.6
83.04968	6.9
83.08607	14.2
84.08913	0.3
85.02895	17.4
85.06481	1.1
85.10170	7.5
87.04418	0.3
89.05984	0.8
91.03945	5.2
91.05468	13.7
93.07036	7.3
95.04954	12.0
95.08595	12.3
97.02878	5.6
97.06540	1.9
97.10157	5.3
99.04410	0.7
99.08028	0.8
99.11689	0.7
103.07517	0.5
105.07021	9.1
107.04948	3.0
107.08562	2.9
109.06515	2.0
109.09445	0.4
109.10136	5.9
111.04367	1.1
111.08069	4.3
111.11672	1.4
113.05953	1.4
115.03882	0.6
115.05413	0.7
116.77179	0.3
117.06941	0.9
119.04903	0.4
119.08568	8.7
120.08854	0.3
121.06448	0.7
121.10130	4.2
123.08028	0.8
123.11688	3.1
125.09583	0.9
127.03880	1.9
127.07549	0.3
129.06975	4.8
131.08556	5.7
133.06425	1.1
133.09239	0.4
133.10118	5.8
135.11646	0.5
137.09573	1.2
137.13174	0.8
142.07727	1.2
145.04927	2.0
145.10100	1.2
147.08023	1.8
147.11671	7.4
149.09601	3.2
149.13200	0.3
157.08904	0.5
157.10101	6.3
158.10486	0.3
163.05989	2.2
163.11163	0.6
165.12724	1.4
175.11172	8.1
176.11516	0.4
193.12221	23.3
194.12473	0.9
202.15833	0.3
211.13268	37.3
212.13594	1.0
249.14751	0.4
267.15875	14.5
267.26691	0.6
268.16196	0.3
285.16925	56.5
285.27719	1.2
286.17224	1.2
341.30460	54.2
342.30911	2.5
533.41956	13.7
534.42126	0.6
551.43024	100.0
552.43323	7.2
695.47266	0.7
892.54193	0.3
942.81610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5551
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	15.1
69.03422	2.7
69.07056	14.8
71.04984	2.4
71.08612	2.0
73.02906	2.2
79.05476	10.4
79.05897	0.9
80.89349	0.5
81.03403	25.6
81.07038	17.5
83.04971	6.5
83.08604	20.6
83.09106	0.9
85.02888	16.0
85.06535	1.8
85.10162	1.4
89.06009	1.4
90.32566	0.5
91.03941	5.7
91.04467	0.8
91.05463	12.1
93.07027	10.5
95.04952	11.4
95.05547	1.0
95.08588	14.3
97.02865	5.1
97.06509	2.2
97.10162	7.8
99.04432	0.9
99.08073	1.2
105.07009	12.6
107.04922	2.5
107.08567	5.2
109.06499	2.0
109.10136	6.5
111.04411	1.5
111.08056	4.9
111.11689	1.2
111.67793	0.6
113.06006	1.0
113.09657	0.7
117.06982	1.2
119.08558	8.1
121.06493	0.9
121.10136	7.1
123.04331	0.5
123.08028	1.0
123.11697	1.6
125.09618	0.5
127.03888	1.8
129.06982	3.9
131.08551	5.8
133.06482	1.8
133.08571	1.0
133.10097	5.9
135.11676	3.9
137.09605	0.7
139.11176	0.8
142.07716	0.7
145.04929	1.7
145.10065	0.9
147.08081	1.1
147.11658	7.4
149.09624	2.5
149.13275	1.5
157.10089	6.2
163.06020	2.1
165.12761	1.5
175.11147	6.1
193.12206	22.0
211.13254	34.9
217.57570	0.6
218.36809	0.5
229.42226	0.6
247.24228	0.7
249.14888	0.6
251.14224	0.6
265.25256	1.3
267.15887	13.0
281.40781	0.5
285.16907	51.1
339.28897	47.8
340.29285	0.7
531.40295	13.1
549.41418	100.0
550.41736	1.9
693.45618	1.0
738.35236	0.7
908.47754	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	1.7
67.05495	37.3
68.05821	2.2
69.03429	4.2
69.07057	10.9
70.03742	0.6
70.07391	1.3
71.04986	4.1
73.02893	3.2
79.05482	28.6
80.05811	2.4
81.03407	29.7
81.07044	40.2
82.03764	0.8
82.07360	3.8
83.01331	2.4
83.04961	8.7
83.08608	14.1
84.05317	0.9
84.08941	0.8
85.02891	18.4
85.06523	1.8
86.09691	0.8
87.04462	0.9
91.03954	7.0
91.05467	21.9
92.05791	1.3
93.07030	33.3
94.07343	3.9
95.04958	13.1
95.08591	26.8
96.05312	0.9
96.08927	2.0
97.02873	7.7
97.06519	5.4
97.10158	5.1
99.04448	1.6
99.08075	1.3
105.04514	0.8
105.07016	16.9
106.07351	1.9
107.04918	5.0
107.08577	19.3
108.08917	2.4
109.02851	0.9
109.06496	3.7
109.10135	12.0
110.06808	0.7
110.10534	1.0
111.04440	2.4
111.08051	5.7
112.10490	0.5
113.06010	1.2
115.05449	0.6
117.07005	5.1
118.07338	0.8
119.04967	0.6
119.08565	15.9
120.08899	2.0
121.06509	2.6
121.09348	0.6
121.10121	16.4
122.10490	1.8
123.08064	4.4
123.11677	4.5
124.08398	0.6
125.05937	0.8
125.09631	3.3
127.03902	2.6
129.06972	5.7
131.08557	9.9
132.08882	1.9
133.06494	1.2
133.10106	10.1
134.10458	0.8
135.08038	0.9
135.11674	9.9
136.12044	2.0
137.05954	0.7
137.09605	1.5
137.13245	1.2
142.07790	1.1
143.08530	1.4
143.10675	0.6
145.04970	2.6
145.10104	8.6
146.10432	2.7
147.08026	1.7
147.10545	0.4
147.11670	10.8
148.12036	0.8
149.09612	3.6
149.12195	0.7
149.13249	3.8
150.13606	0.8
151.11163	0.8
153.12732	1.1
155.08563	0.6
157.10117	6.8
159.11697	3.7
161.13269	2.2
163.06010	2.2
163.11151	5.9
163.14819	1.0
164.11545	1.6
165.12750	1.8
169.10063	0.7
173.09587	1.1
173.11833	0.9
173.13231	2.6
174.13568	1.0
175.11153	7.2
175.14882	0.8
177.12755	0.6
181.12329	0.9
184.07378	1.6
185.13220	0.8
187.14754	1.2
189.11095	0.8
191.10710	0.8
193.12216	20.6
201.16374	1.0
209.11725	1.9
211.13263	25.6
211.15244	1.3
215.17853	0.7
227.12746	3.4
228.13014	1.4
229.14281	1.4
229.64914	0.7
232.08868	0.6
243.21123	2.2
244.21141	0.7
255.15923	0.7
259.20560	0.6
261.22134	7.5
262.22562	2.1
262.50757	0.7
263.22906	1.0
267.15842	8.0
267.18515	0.7
268.16193	1.0
275.20120	1.1
283.15356	16.6
284.15710	12.4
285.16916	27.1
299.23746	1.4
313.27454	0.7
317.24667	1.4
318.25232	0.8
335.25754	37.3
336.26108	13.1
337.26395	6.6
349.23859	1.3
429.20880	0.7
435.32639	1.8
452.32928	0.8
453.33353	1.7
471.34076	0.9
526.36182	0.8
527.37097	9.0
543.36664	7.1
544.37195	10.4
545.38165	100.0
546.38544	3.2
562.38226	1.0
563.39056	1.8
601.36310	0.8
689.42261	1.5
897.70374	0.6
905.48425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.2
67.05492	25.3
68.05827	0.8
69.03414	2.0
69.07056	7.3
69.54861	1.3
69.55277	2.4
71.04977	2.5
73.02905	1.7
79.05477	17.1
81.03403	23.4
81.07041	25.3
82.07365	0.5
83.04969	6.1
83.08610	9.9
85.02889	12.6
85.06531	1.1
91.03952	2.6
91.05461	14.3
93.07027	19.6
95.04952	10.1
95.08591	18.0
97.02890	3.7
97.06520	2.5
97.10159	3.2
99.04427	0.8
99.08083	0.5
105.07014	10.7
107.04933	2.7
107.08576	11.5
109.06486	2.5
109.10136	8.6
111.04459	0.7
111.08063	4.7
113.05991	1.1
115.05432	0.6
117.07006	2.8
119.08558	10.0
121.06508	1.6
121.10123	9.5
123.08039	1.3
123.11700	3.4
125.09629	1.9
127.03937	0.6
129.06992	4.1
131.08540	6.3
133.06485	1.4
133.10098	6.6
134.35767	0.4
135.08072	1.0
135.11656	4.6
136.12003	0.6
137.09605	1.2
137.13246	0.9
142.07776	0.9
145.04945	1.4
145.10092	3.7
147.08028	1.2
147.11655	8.5
149.09604	3.2
149.13229	2.5
151.11143	0.8
157.10112	5.5
159.11674	1.9
161.12125	0.4
161.13263	2.0
163.05974	1.4
163.11174	2.0
163.14742	1.1
165.12753	1.2
169.10158	0.5
171.11676	0.5
173.11870	0.5
173.13260	1.5
175.11151	4.7
175.14813	0.9
181.12213	0.8
184.07317	1.2
187.14835	0.9
193.12215	17.4
199.13222	0.5
211.13255	20.3
227.12811	1.1
229.14351	0.8
243.21062	1.1
253.14284	0.7
261.22058	4.8
267.15881	6.9
269.17590	0.5
275.20041	0.7
283.15436	1.2
283.80710	0.5
284.15765	1.1
285.16916	26.9
301.25198	0.6
317.24713	1.3
335.25735	42.6
336.26193	1.9
429.21146	0.7
435.32178	0.7
453.33542	1.2
471.34488	0.9
509.35873	0.9
527.37225	9.3
543.36621	0.9
544.36859	1.0
545.38275	100.0
546.38757	4.6
557.66644	0.5
563.39136	1.3
659.49579	0.6
689.42139	1.4
904.50165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	3.6
67.05493	74.1
68.05827	0.7
69.03412	5.1
69.07056	32.1
70.07392	0.8
71.01349	1.2
71.04986	5.5
71.08614	0.7
71.32911	1.1
71.52447	0.6
73.02910	4.1
73.06577	0.8
77.03925	0.8
79.05480	37.8
80.05809	0.7
81.03410	9.3
81.07043	99.4
82.07381	1.3
83.04974	11.3
83.08604	16.0
85.02887	16.9
85.06523	5.7
87.04449	2.8
91.03944	8.7
91.05463	39.9
92.05789	0.6
93.07030	42.8
94.07345	0.8
95.04953	10.5
95.08591	49.7
96.08913	0.8
96.17986	0.6
97.02886	10.2
97.06510	11.4
97.10146	8.7
99.04434	2.4
99.08077	5.1
101.06032	0.8
103.03925	0.7
103.05425	1.3
105.04462	0.7
105.07013	38.3
107.04936	4.4
107.08575	30.9
108.08842	0.7
109.02828	1.2
109.06493	7.7
109.10133	35.6
111.04402	1.1
111.08075	5.3
113.05964	0.6
113.09612	0.8
115.03968	1.2
117.07001	8.0
119.08559	35.7
121.06490	2.6
121.10117	32.0
122.10509	0.8
123.08053	7.6
123.11684	25.4
124.12045	0.7
125.09591	6.9
127.03886	3.3
127.07523	2.1
129.05484	2.3
129.06964	3.8
131.08545	11.5
133.06436	0.7
133.10106	14.2
134.10371	0.6
135.08000	1.6
135.11664	15.3
137.09601	6.5
137.13254	3.5
139.11166	1.4
141.06938	0.8
141.09109	1.0
143.06978	0.7
143.08525	1.5
145.04932	4.2
145.05922	0.7
145.10095	10.5
147.08051	1.5
147.11665	60.2
148.12038	1.2
149.09584	7.3
149.13216	7.9
151.11180	2.0
153.12717	0.9
155.10611	1.5
157.08813	1.0
157.10089	4.6
159.11664	6.7
161.09604	1.1
161.13252	4.5
163.05965	4.2
163.11143	5.7
163.14772	2.8
165.12732	22.8
169.10167	1.3
171.10245	0.7
171.11665	1.7
173.04428	0.9
173.09628	0.7
173.10060	0.7
173.11720	7.7
173.13261	5.5
175.11162	3.9
175.14848	0.9
177.12671	1.2
179.14278	2.1
181.12201	1.0
183.11658	0.7
183.13791	2.4
185.13303	1.0
187.11069	0.9
187.14792	2.5
189.11191	0.8
193.12268	2.6
195.13734	0.7
199.13264	2.9
205.15828	0.7
207.73027	0.7
209.11775	1.0
211.13203	1.5
227.12810	2.8
229.14310	19.3
229.16530	1.3
229.19342	0.8
233.22569	0.6
239.18089	0.8
243.21049	4.9
253.14244	0.7
253.18056	0.6
255.15932	1.9
257.13861	0.8
257.18991	1.2
261.22116	20.3
262.22467	0.8
267.15875	64.7
268.16306	0.8
273.18542	0.8
275.20056	8.4
279.22971	3.7
283.15448	3.6
284.15698	2.2
285.16919	100.0
286.17239	1.4
291.19516	2.1
293.21292	1.0
301.16412	2.9
317.24744	2.8
325.20111	1.2
335.25751	82.2
336.26181	3.1
337.26984	0.9
349.23715	9.7
353.26953	4.0
363.38934	0.7
365.23297	0.7
383.24338	4.9
397.25943	1.1
399.23743	4.8
407.28064	1.5
453.33612	1.1
471.34769	1.2
473.33075	0.7
503.33682	4.0
527.37280	9.7
544.37115	1.3
545.38287	84.2
546.38586	2.1
553.33435	3.2
563.39508	7.5
575.35468	1.0
610.66187	0.8
673.42920	2.7
904.48285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5248
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15339	0.3
65.03926	1.8
67.05495	34.4
67.32151	0.3
68.05803	0.3
69.03416	4.0
69.07061	9.1
69.09140	0.3
69.86350	1.8
71.01320	0.5
71.04992	3.1
73.02917	2.8
73.18724	0.3
77.03893	0.6
79.05481	29.8
81.03404	40.8
81.07044	39.2
81.07422	0.6
83.04965	10.5
83.05443	0.6
83.08605	17.4
85.02892	25.9
85.06537	1.9
87.04447	0.5
91.03944	7.4
91.05465	26.7
92.05777	0.5
93.07028	28.8
95.04956	18.7
95.08589	24.6
96.04462	0.4
97.02876	7.8
97.06509	3.9
97.10140	3.6
99.04451	1.2
99.08078	1.3
103.05442	0.3
105.04498	0.7
105.07013	19.1
107.04952	4.1
107.08575	16.4
109.02877	0.3
109.06503	3.9
109.10141	10.8
111.04419	2.0
111.08057	7.3
111.08832	0.3
113.06027	1.8
115.03892	0.4
115.05434	0.9
117.07004	3.6
119.04965	0.6
119.08560	17.0
121.06510	1.1
121.10122	16.8
123.08043	2.1
123.11687	4.3
125.00043	0.3
125.09608	1.7
127.03896	2.6
127.07561	0.4
128.06265	0.3
129.06984	7.6
131.08548	12.9
133.06480	2.2
133.10112	13.4
135.08083	0.5
135.11673	7.4
137.09624	1.8
137.13272	1.0
138.44002	0.3
142.07756	1.9
143.08566	0.8
144.06480	0.5
145.04932	2.6
145.06412	0.3
145.10092	5.4
147.08026	2.3
147.11664	13.1
149.09590	4.7
149.13239	3.8
151.11169	0.7
153.12706	0.4
155.08560	0.5
157.10115	11.6
159.11630	3.3
161.13226	2.9
163.05997	3.3
163.11192	1.2
163.14813	1.9
165.12799	2.2
169.10085	0.3
171.11653	1.3
173.13240	3.2
175.11154	11.1
175.14778	1.2
177.16367	0.5
183.11620	0.5
184.07376	1.0
185.13243	0.6
187.14738	1.4
189.11206	0.7
189.16446	0.3
193.12210	32.9
199.14775	0.3
201.16377	0.5
209.13295	0.4
211.13255	51.2
212.13515	0.4
227.12758	1.0
229.14369	0.8
233.22491	0.5
243.21004	2.3
249.14885	0.6
255.15891	0.3
259.20682	0.4
261.22098	8.2
267.15872	11.7
269.17398	0.7
279.23242	0.7
283.15460	0.5
285.16919	69.9
286.17325	0.8
299.23654	0.4
301.25183	1.2
303.23035	0.4
303.40378	0.3
317.24594	2.4
333.24396	0.4
335.25748	59.6
336.25986	0.7
417.31601	0.5
423.28040	0.3
435.32651	2.0
453.33698	2.2
471.34583	1.4
491.34796	0.4
509.36172	1.3
527.37256	14.8
528.37531	0.6
538.75806	0.3
545.38287	100.0
546.38373	2.7
563.39008	1.0
689.42755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	1.9
65.25872	0.1
67.05492	40.4
68.05808	0.4
69.03054	0.3
69.03417	4.2
69.07056	11.1
70.07391	0.2
71.01337	0.5
71.04980	3.8
71.08630	0.2
71.63175	0.3
73.02906	2.8
73.06540	0.3
74.09688	0.3
77.03912	0.6
79.05477	31.8
80.05817	0.4
81.03403	36.7
81.07040	42.0
82.03722	0.2
82.07392	0.5
83.04966	9.5
83.08604	16.8
85.02888	22.5
85.06521	2.3
85.06996	0.2
86.09699	0.5
87.04454	0.5
91.03944	6.6
91.05463	27.4
92.05773	0.2
93.07025	34.4
94.07333	0.4
95.04951	16.3
95.08587	30.0
96.04456	0.3
96.05300	0.2
96.08908	0.2
97.02875	7.5
97.06509	4.3
97.10147	3.6
99.04444	0.6
99.08082	1.3
101.02330	0.2
103.05444	0.5
105.04546	0.8
105.07011	21.6
106.07323	0.2
107.04938	4.4
107.08573	17.6
108.08903	0.3
109.02850	0.4
109.06495	4.0
109.10136	11.9
110.10478	0.3
111.04424	1.8
111.08061	7.1
111.11680	0.2
113.05989	1.7
113.09592	0.2
113.40007	0.2
115.03922	0.5
115.05429	0.9
116.06268	0.4
117.06998	4.4
119.04930	0.4
119.08556	18.3
121.06487	1.4
121.10119	17.4
122.10452	0.2
123.08051	2.7
123.11683	3.8
124.99995	0.4
125.05933	0.2
125.09600	1.7
127.03896	2.5
127.07544	0.4
128.06221	0.5
129.05434	0.4
129.06981	6.9
130.07779	0.2
131.08545	12.7
132.08934	0.3
133.06474	1.8
133.10106	12.5
135.08032	0.6
135.11667	8.1
137.05978	0.2
137.09590	2.1
137.13193	0.9
139.07555	0.2
139.11122	0.4
141.07008	0.3
142.07753	1.7
143.08546	1.1
144.06596	0.3
145.04942	2.5
145.06528	0.2
145.10094	5.9
147.08035	1.9
147.11661	12.8
148.11987	0.2
149.09583	4.1
149.13235	4.1
150.13695	0.2
151.11153	0.8
153.12698	0.4
154.32373	0.2
155.08545	0.7
157.10097	9.1
159.11670	3.4
161.09572	0.2
161.13240	3.1
163.05995	2.6
163.11136	1.5
163.14793	1.6
165.12732	2.2
167.08481	0.2
167.10660	0.2
169.10117	0.5
171.10291	0.2
171.11626	1.0
173.04549	0.2
173.09634	0.4
173.11749	0.5
173.13213	3.0
175.11151	9.7
175.14699	1.0
177.12666	0.3
177.16367	0.4
180.08665	0.2
181.12251	0.2
183.11671	0.5
184.07330	1.9
185.13243	0.5
187.13283	0.2
187.14780	1.3
189.11183	0.5
189.16330	0.3
191.10658	0.4
191.14256	0.3
193.12212	25.8
194.12592	0.5
195.11676	0.3
195.13698	0.4
197.13260	0.5
199.14764	0.3
201.16385	0.7
205.15919	0.3
209.11703	0.4
211.13249	31.4
212.13660	0.4
219.17377	0.3
223.78075	0.2
227.12663	1.2
229.14308	1.0
233.22572	0.5
243.15868	0.3
243.20982	2.4
245.56885	0.2
249.14903	0.5
255.15878	0.3
259.20657	0.3
261.22098	8.2
262.22369	0.2
267.15857	10.7
268.16153	0.2
269.17392	0.3
273.18515	0.2
273.21848	0.2
275.20078	0.4
279.23114	0.5
283.15390	0.7
285.16904	42.9
286.17255	0.7
287.23340	0.2
291.19525	0.7
299.23587	0.3
301.16345	0.5
301.25223	0.8
303.23416	0.3
315.23282	0.2
317.24670	2.1
327.23087	0.2
333.24173	0.2
335.25732	63.8
336.26163	1.6
339.27063	0.2
341.24811	0.3
349.23779	0.4
353.26443	0.2
359.25928	0.3
365.23251	0.3
405.25833	0.2
417.31406	0.3
435.32571	1.5
453.33554	1.5
471.34723	1.2
473.32599	0.2
491.34488	0.3
501.35345	0.2
509.36081	0.6
527.37238	13.8
528.37842	0.6
545.38263	100.0
546.38641	3.8
563.39252	0.7
650.43665	0.2
671.41199	0.2
689.42401	0.8
707.44006	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.3
67.05494	29.6
68.05834	0.5
69.03418	1.7
69.07056	9.3
69.58983	2.0
71.04974	1.9
71.08630	0.3
73.02898	1.5
73.06565	0.3
77.03911	0.4
79.05480	24.3
80.05833	0.3
81.03411	2.6
81.07044	29.9
82.03745	0.2
82.07380	0.3
83.04972	2.9
83.08602	5.9
85.02883	3.4
85.06532	1.3
86.09658	0.4
91.03950	1.6
91.05465	11.7
93.07028	35.5
94.07356	0.4
95.04953	5.4
95.08591	35.9
96.08930	0.3
97.02873	3.6
97.06516	3.3
97.10155	1.7
98.20744	0.6
99.04442	2.3
99.08083	0.5
103.05460	0.7
105.04494	0.3
105.07014	8.7
107.04946	4.9
107.08577	23.1
108.08899	0.3
109.02834	0.3
109.06499	1.7
109.10139	9.9
111.04432	1.1
111.08072	1.2
113.05998	0.5
115.05457	0.6
117.06190	0.5
117.06995	6.4
119.08564	10.5
121.06506	3.2
121.10121	15.1
123.08040	1.0
123.11684	2.7
125.05952	1.7
125.09618	0.4
127.03905	0.7
127.07454	0.3
129.06976	0.6
130.07739	0.5
131.08548	3.7
133.10101	5.4
135.08046	1.7
135.11671	33.2
136.12019	0.4
137.09584	0.6
137.13261	0.6
139.07504	1.0
139.11172	0.4
143.08551	0.9
145.04971	0.4
145.06438	0.4
145.10095	18.7
147.11656	3.0
149.09628	0.6
149.13235	2.5
149.37363	0.3
151.11124	0.3
153.08942	0.2
153.12730	0.7
155.08549	0.5
157.10112	0.4
159.11691	2.3
161.13219	2.2
163.05992	0.6
163.11154	37.7
163.14848	1.1
164.11475	0.6
165.12715	0.3
171.11603	0.4
173.09578	0.9
173.13196	1.5
175.14810	1.1
177.12801	0.4
177.16364	0.6
179.14302	0.4
181.12210	6.6
184.07349	0.8
187.14827	1.0
209.11668	0.9
227.12743	42.1
228.13145	0.5
243.21011	2.2
261.22098	7.2
261.24802	0.5
267.15839	0.7
268.16125	0.3
283.15353	54.6
284.15732	1.0
299.23694	0.4
313.27298	0.4
314.27524	0.4
317.24747	2.0
335.25742	91.3
336.26035	2.8
403.18967	0.3
458.54694	0.2
469.33084	0.4
506.39328	0.4
543.36725	100.0
544.36993	4.0
561.38135	1.3
705.41498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.1
67.05489	34.8
68.05780	0.5
69.03412	3.3
69.07050	9.2
69.84760	2.6
71.01298	1.1
71.04974	3.2
71.08582	0.9
73.02907	4.2
79.05474	31.8
80.05788	0.8
81.03400	10.4
81.07037	41.9
82.03702	0.4
82.07372	0.6
83.01320	7.4
83.04962	9.1
83.08600	13.5
85.02885	19.5
85.06498	1.7
87.04429	0.5
91.03413	0.7
91.03934	10.2
91.05458	21.6
93.07022	40.7
94.07291	0.4
95.04949	8.8
95.08584	26.8
96.04445	0.6
96.08902	0.5
97.02869	9.6
97.06506	4.4
97.10149	3.9
98.20720	0.4
99.04428	3.4
99.08033	0.9
103.03873	0.4
103.05418	0.8
105.04433	0.5
105.07005	16.1
107.04281	0.6
107.04934	6.8
107.08567	23.5
108.08893	0.5
109.02824	0.9
109.06488	6.5
109.10131	11.6
111.04412	2.6
111.08062	2.1
111.11624	0.7
113.09612	0.5
115.03862	0.9
115.05392	0.7
117.06209	0.5
117.06985	9.4
119.08556	14.0
121.06480	3.2
121.10115	17.1
123.08047	8.1
123.11689	3.5
125.05911	1.3
125.09595	4.0
127.03888	5.1
127.07463	0.5
129.06966	2.6
130.07719	1.5
131.04866	0.4
131.07568	0.5
131.08542	11.0
133.06372	0.5
133.10100	8.2
135.08023	2.5
135.11661	18.2
135.12682	1.0
137.09566	2.0
137.13193	1.5
139.07486	0.7
141.06895	0.5
143.08492	1.7
145.04895	4.8
145.06401	0.8
145.10085	17.1
147.08002	2.0
147.11656	4.8
149.09546	1.2
149.13216	5.1
151.11116	1.0
151.14703	0.4
153.09079	0.5
153.12723	2.7
154.07700	0.4
155.08499	2.1
157.10066	1.8
159.10632	0.4
159.11674	4.7
161.09610	0.6
161.13206	3.7
163.05977	7.0
163.11145	21.3
163.14778	3.1
167.08583	0.5
169.09894	0.4
171.11617	0.9
173.09564	2.7
173.13217	4.9
175.11212	0.5
175.14711	1.5
177.16391	0.9
180.08578	0.5
181.12190	3.3
183.11606	0.9
185.13269	0.9
187.14740	2.4
189.11137	2.6
191.10649	3.1
191.14323	0.4
193.12228	1.5
197.13258	0.6
199.14848	0.8
201.16304	1.1
205.15926	0.4
209.11678	6.0
211.13185	1.8
227.12726	11.8
233.19191	0.4
241.19537	0.6
243.21010	4.7
245.13724	0.4
259.20450	1.8
261.22092	14.1
267.15857	2.9
268.16251	0.5
273.22006	0.5
275.20316	0.4
277.21561	0.9
279.23325	0.4
283.15332	100.0
284.15659	2.0
285.16879	0.8
289.21835	0.4
295.20853	0.4
297.21796	0.6
299.23547	4.7
301.21658	0.4
313.27231	0.6
314.06134	0.4
314.27560	1.0
317.24673	4.8
333.24146	3.0
335.25723	66.2
336.26065	1.4
377.12781	0.4
383.56143	0.4
415.29895	0.8
423.32520	0.7
425.82013	0.5
433.30896	2.7
451.31879	2.8
469.33121	3.2
473.28293	0.5
487.34155	1.3
505.38568	0.7
506.39114	0.5
515.37097	0.8
517.35132	1.1
525.35620	7.7
543.36707	69.1
544.37042	2.6
561.37787	7.6
627.43500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03886	1.8
67.05489	42.1
67.05838	1.4
69.03414	3.8
69.07052	12.2
69.83756	2.8
71.01313	0.9
71.04983	4.0
71.08601	1.0
73.02898	5.1
79.05473	36.4
80.05785	0.4
81.03398	9.9
81.07037	48.6
82.03708	0.7
82.07320	0.9
83.01321	6.4
83.04959	10.0
83.08600	12.8
85.02885	18.3
85.06516	2.0
91.03936	11.1
91.05457	21.7
92.05751	0.5
93.07021	46.7
94.07330	0.7
95.04951	7.9
95.08584	36.2
96.04446	0.4
96.08885	0.6
97.02869	11.2
97.06507	4.6
97.09623	0.5
97.10151	5.2
98.20795	0.6
99.04446	2.8
99.08065	0.9
101.02320	0.5
101.05942	0.5
103.05368	0.7
105.04478	0.4
105.07011	17.7
107.04273	0.6
107.04928	6.6
107.08567	26.7
108.05240	0.5
108.08843	0.7
109.02833	0.9
109.05785	0.6
109.06483	6.8
109.10126	13.4
111.04433	2.0
111.08047	2.6
115.03873	0.6
115.05404	0.8
116.06174	0.4
117.06231	0.6
117.06993	10.7
119.08558	16.1
121.06493	3.4
121.10115	23.6
123.04385	0.8
123.08040	8.5
123.11678	5.0
125.05918	1.3
125.09621	3.5
127.03895	4.6
128.06133	0.5
129.05511	0.5
129.06953	3.1
130.07707	1.4
131.08537	11.2
133.06461	0.5
133.10101	10.3
135.08058	2.5
135.11658	21.3
137.08601	0.4
137.09497	2.2
137.13202	1.3
139.07568	0.6
139.11119	0.7
143.08537	2.4
145.04886	5.3
145.06392	1.3
145.10088	18.8
146.10428	0.5
147.07999	1.4
147.11627	5.9
149.09561	1.4
149.13222	7.1
151.11095	0.7
153.12741	3.0
155.08478	1.3
156.65060	0.4
157.10020	1.6
159.11662	6.7
161.13226	4.6
163.05957	6.6
163.11143	20.8
163.14780	3.2
164.11435	0.5
165.12692	0.6
167.08502	0.5
169.09990	0.5
171.10155	0.6
171.11635	1.6
173.09621	2.6
173.11870	0.7
173.13220	5.8
175.14766	1.5
177.12735	0.6
177.16307	0.9
180.08630	0.5
181.12184	2.7
183.11629	0.4
184.07315	0.8
185.13194	1.3
187.13318	0.4
187.14799	2.7
189.11168	2.4
191.10658	2.4
193.12241	2.6
195.11578	0.5
197.13167	0.7
199.14748	0.5
201.16373	1.5
209.11644	5.7
211.13203	1.8
211.14944	0.5
219.17404	0.5
227.12709	11.1
241.19481	0.9
243.21022	5.5
253.18066	0.5
257.19000	0.5
259.20395	2.0
261.22079	17.7
262.22482	0.6
267.15945	3.7
268.16171	1.6
271.24228	0.5
273.22070	0.6
277.21628	0.6
279.23248	0.8
283.15332	91.7
284.15677	2.5
285.16846	1.1
297.22073	0.6
299.23599	5.7
313.27264	2.1
314.27646	2.1
315.23157	0.6
315.27737	0.5
317.24661	5.5
325.21634	0.5
333.24161	3.2
335.25723	91.8
336.26068	4.8
351.25479	0.5
355.26144	0.6
415.29498	0.5
423.32434	0.6
433.30814	2.8
451.32101	3.7
469.33154	3.4
471.31339	0.5
485.70096	0.5
487.34314	2.2
505.38693	1.3
506.39069	1.3
507.39590	1.4
515.37219	1.8
517.35388	0.7
525.35663	8.8
526.36389	0.5
543.36694	100.0
544.37073	6.9
561.37750	8.3
705.41510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.5
67.05495	43.0
69.03416	8.4
69.07059	10.2
69.28751	6.3
69.29171	2.1
70.04183	0.8
71.01328	2.2
71.04984	5.4
72.12840	0.7
73.02907	5.9
73.19128	0.7
74.74961	0.7
79.05479	36.9
81.03404	98.1
81.06565	1.7
81.07042	30.7
82.03747	0.9
82.04178	3.6
83.04968	22.6
83.08604	30.0
84.05758	0.9
85.02414	0.9
85.02894	11.6
85.06533	2.9
87.04420	1.2
91.03934	5.0
91.05465	37.2
93.07027	29.7
94.04197	0.9
95.01364	0.7
95.04953	38.4
95.08588	15.3
95.09151	1.3
95.89751	0.8
97.02871	9.5
97.06509	11.3
97.10155	16.1
98.07307	6.1
99.04440	2.7
99.08071	3.4
101.43921	0.7
103.05476	1.4
105.07011	22.0
107.04947	21.2
107.08579	18.4
109.02841	2.1
109.06502	7.2
109.10139	21.5
111.04426	12.0
111.08066	13.9
111.08828	1.2
115.05440	2.4
116.04688	11.9
117.05487	3.3
117.06998	8.4
119.04920	2.2
119.08569	22.0
121.02828	5.3
121.06487	8.8
121.10121	13.2
121.43974	0.7
123.04424	3.7
123.08049	7.4
123.11655	1.5
125.05995	1.3
125.09608	18.8
126.10400	0.8
127.03893	2.6
127.07500	0.7
127.11216	1.2
128.06239	1.4
129.05463	29.7
129.06953	12.9
129.79649	0.9
130.07755	1.5
131.04906	3.4
131.08548	15.7
133.06454	6.5
133.10103	10.8
135.04414	4.5
135.08047	5.9
135.11679	11.0
136.08798	1.2
137.05956	1.5
137.09587	4.9
139.03909	1.5
141.06970	1.2
142.07750	2.9
143.07036	7.2
143.08513	2.3
143.10696	1.4
145.04942	2.5
145.06477	2.6
145.10101	12.3
147.04361	4.2
147.08043	6.1
147.11667	12.9
147.12787	1.4
149.05956	1.1
149.09593	10.6
151.03885	0.7
151.11160	1.2
153.09038	2.7
153.12715	19.8
153.13930	1.4
155.07211	0.8
155.08511	2.6
155.10651	1.1
157.06511	1.2
157.08585	14.8
157.10085	11.5
158.05780	1.1
159.08035	1.0
159.11655	2.1
161.05957	1.0
161.09604	1.8
163.05991	1.8
163.11147	19.1
164.11769	1.0
165.12807	3.6
165.14001	0.7
167.06967	1.3
167.08401	0.7
169.10086	1.4
171.06505	1.6
171.10196	5.9
171.11520	1.5
173.09619	3.5
173.11707	5.5
173.13225	2.0
175.07555	0.7
175.11150	13.4
181.12189	18.8
183.11658	2.7
185.11739	1.2
185.13219	1.7
187.11189	1.1
187.73857	0.7
189.11169	16.4
189.12645	0.9
191.10645	12.3
191.14369	0.8
193.12212	44.9
199.13231	4.9
200.13989	2.7
201.12720	3.1
201.14807	3.1
203.14236	1.5
205.12209	1.4
207.13692	1.1
209.11685	10.9
211.11288	1.1
211.13220	12.2
213.12703	1.5
219.13809	4.9
223.13190	2.3
225.14760	1.0
227.12738	58.0
229.12196	2.2
229.14299	21.9
231.13774	2.6
232.14662	1.0
235.13127	1.3
237.14790	1.7
245.13832	1.7
247.13260	38.6
249.14771	6.4
255.15855	2.6
259.13257	2.3
265.14328	4.5
267.15875	100.0
268.16147	1.9
271.13303	1.0
273.07620	0.6
273.14929	1.1
277.14160	1.6
283.15344	36.8
285.17053	3.6
289.14291	1.0
301.16452	36.6
309.16711	1.4
315.18097	1.2
321.16934	15.0
339.17987	4.2
349.19992	1.1
355.22513	2.0
365.20901	1.8
373.23569	1.5
383.21991	5.4
387.04501	0.9
391.24667	0.8
399.23669	1.7
401.23181	4.8
403.24609	0.9
409.25732	1.2
419.23868	1.4
421.25876	2.4
439.26898	1.8
447.27045	1.6
457.25656	3.3
458.26346	2.7
459.27286	3.6
475.20114	1.4
475.26868	32.1
476.27536	5.1
477.28012	2.4
493.27899	45.3
494.27600	1.1
525.30402	7.1
535.28577	2.6
543.31543	2.0
589.29449	1.9
601.29517	1.4
619.31030	1.7
655.32825	1.4
821.34064	1.0
902.45251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5294
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95509	0.3
65.03925	1.1
67.05491	31.9
69.03429	1.1
69.07053	7.7
71.04987	1.4
71.08611	0.6
71.22926	0.2
71.23253	0.5
73.02901	1.1
73.06547	0.7
77.03906	0.5
78.04683	0.2
79.05476	37.9
81.03405	3.5
81.07040	29.2
82.07352	0.4
83.04964	5.8
83.08602	4.6
85.02885	3.3
85.06531	1.7
85.10182	0.3
87.04465	0.3
91.03944	2.0
91.05461	26.1
92.05755	0.4
93.07023	38.0
94.07358	0.4
95.04948	8.4
95.08588	22.0
96.08923	0.3
97.02866	2.0
97.06510	2.2
97.10152	2.3
99.04436	0.3
99.08062	0.7
101.06039	0.3
102.26360	0.2
105.04491	1.0
105.07010	17.7
105.50179	0.2
107.04934	2.8
107.08573	12.8
108.08926	0.3
109.06496	2.7
109.10128	6.9
111.04408	0.3
111.08042	0.9
113.09659	0.3
115.05451	0.3
117.06996	4.9
119.08556	13.3
121.06497	1.4
121.10117	7.8
121.10996	0.3
122.40582	0.2
123.08041	2.6
123.11682	1.8
125.09608	0.4
127.03897	0.6
127.07542	0.7
128.06215	0.8
129.05507	0.5
129.06979	7.0
130.07761	0.4
131.08545	4.3
133.06464	0.4
133.10101	7.1
135.08090	0.4
135.11664	4.2
137.09573	0.7
137.13217	0.3
139.11180	0.3
141.06926	0.3
142.07770	0.3
143.08534	3.7
145.04904	0.8
145.10097	6.7
147.07986	1.1
147.11653	18.4
149.09602	0.3
149.13216	2.4
156.09380	0.4
156.75508	0.2
157.08617	0.3
157.10069	0.5
159.11668	2.4
160.11232	0.5
161.09566	1.6
161.13220	6.3
163.05984	0.9
163.11188	0.4
163.14790	1.0
169.10072	0.3
171.11655	11.4
173.13239	1.4
175.14760	0.5
177.12750	0.4
179.14348	0.5
185.13258	0.4
187.14763	0.6
189.12709	3.8
201.16312	0.6
207.13759	13.2
225.14885	0.7
243.21028	1.4
258.08795	0.3
259.20526	0.4
261.22110	3.5
279.15866	2.1
281.17416	48.2
282.17761	0.8
283.19089	0.5
301.16501	1.4
302.16779	0.8
303.17010	0.4
313.27280	0.9
314.27692	0.7
315.28082	0.3
317.24655	1.1
333.24216	0.5
335.25735	37.3
336.26108	1.1
383.19934	0.2
449.33942	1.0
467.34967	0.9
485.36237	0.5
523.37720	1.2
539.39081	0.3
540.39520	0.6
541.38800	100.0
542.39081	3.3
559.39813	3.3
700.07379	0.3
779.92450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03896	1.1
67.05495	14.7
69.03423	3.8
69.07060	7.7
69.93832	0.4
70.83215	0.4
71.04942	1.6
71.08624	17.5
73.02903	4.3
74.09674	0.9
79.05479	10.1
81.03407	5.4
81.07044	15.9
82.04159	1.3
83.04972	6.6
83.08150	0.6
83.08604	10.0
85.02892	10.6
85.06503	1.1
85.10172	9.8
87.04431	0.7
89.05967	0.7
91.03947	6.9
91.05472	7.2
93.07029	9.1
94.04099	0.5
94.07818	0.5
95.04964	6.5
95.08590	16.0
97.02295	0.4
97.02880	7.2
97.06503	3.0
97.10155	9.0
98.07297	2.6
99.04386	1.5
99.08067	1.0
99.11691	1.2
101.05956	0.6
103.03861	0.4
103.07551	0.7
105.07018	4.0
107.04948	3.3
107.07983	0.5
107.08586	5.8
109.02831	1.1
109.06474	1.1
109.09466	0.6
109.10143	9.1
111.04412	2.1
111.08074	2.3
113.05905	0.6
113.13259	0.5
115.03876	0.6
115.05393	0.8
116.03960	0.5
116.04694	6.3
117.07002	2.3
117.09065	0.6
119.08562	4.5
121.06464	1.0
121.10112	3.2
123.04373	0.6
123.08002	1.7
123.11696	3.0
125.05958	0.5
125.09596	6.0
125.13255	0.4
126.10372	0.5
127.03913	2.9
127.11145	1.1
128.06151	0.4
129.05455	12.9
129.06972	1.7
131.08539	2.6
133.10066	2.9
135.07994	1.1
135.11681	3.2
137.09546	0.7
137.13217	0.8
139.14751	0.5
142.07768	0.6
143.07005	3.5
143.10602	0.8
145.04939	2.7
145.10101	3.3
147.08023	0.5
147.11644	2.2
149.09557	1.6
153.09090	0.5
153.12695	0.7
157.08543	6.3
157.10027	1.6
158.05719	1.1
163.05978	2.4
163.11188	3.9
165.12740	0.5
171.06499	2.5
171.10110	1.7
173.09602	1.3
173.11649	0.6
175.11177	1.2
181.12170	0.8
184.07259	0.5
185.08073	1.0
185.11703	0.5
189.11185	3.0
191.10634	1.2
193.12227	1.9
199.09583	0.5
199.13242	1.9
200.14029	1.2
209.11694	4.2
210.12505	0.8
211.13211	0.7
213.11151	0.6
217.14359	0.5
221.22523	0.6
227.12753	6.8
229.14246	1.2
239.23618	3.0
255.15852	2.2
257.24704	1.5
265.14154	0.6
267.15848	3.2
269.17480	0.9
283.15356	24.1
284.15720	1.0
301.16422	41.1
302.16940	0.9
311.22128	1.2
313.27319	72.3
314.27631	2.8
325.23865	0.6
367.25113	0.4
367.28455	4.4
381.29929	1.3
395.31482	2.1
409.33109	0.7
437.36191	0.7
438.36960	1.4
467.37259	1.4
471.51547	0.4
504.37817	0.5
505.38791	4.1
521.38287	14.5
522.38947	2.5
523.40479	0.7
539.39355	100.0
540.39606	5.1
864.17981	0.5
898.56744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.9
67.05493	20.4
69.03411	3.6
69.07056	6.8
71.04973	1.5
71.08624	12.5
73.02892	2.4
74.09695	1.3
79.05044	1.2
79.05474	13.5
81.03397	5.5
81.07040	18.0
83.04955	4.7
83.08605	8.5
85.02892	12.8
85.06518	1.3
85.10180	7.3
89.06030	0.8
91.03947	5.5
91.05473	10.7
93.06465	0.9
93.07033	12.2
95.04947	9.2
95.08591	14.8
97.02881	5.1
97.06497	1.7
97.10155	9.6
99.04443	0.9
103.07572	1.1
105.07024	4.3
107.04930	4.8
107.08577	7.2
107.93061	0.8
109.06435	1.5
109.10144	10.6
111.08054	1.4
111.11709	0.9
117.07003	6.5
119.08543	3.3
121.06464	3.0
121.10110	2.9
123.08039	1.5
123.11675	2.0
125.09613	7.3
127.03902	2.9
129.06979	0.7
131.08553	5.0
133.10103	3.2
135.08047	2.0
135.11676	1.8
143.10657	0.8
145.04936	3.2
145.10133	1.8
147.11682	1.5
149.09613	1.2
149.13300	1.1
151.74945	0.8
159.11653	3.6
161.09650	1.3
163.06012	2.7
169.10188	1.4
173.11693	1.3
177.12733	2.4
187.11124	2.3
189.11200	6.4
205.12172	4.4
223.13266	27.4
227.12686	4.1
229.14310	2.5
239.23694	1.7
257.24768	1.0
279.15894	3.2
283.15399	0.8
295.74945	0.7
297.16922	100.0
298.17325	3.7
313.27316	57.7
314.27728	2.7
316.19470	0.8
367.77191	0.8
467.37451	6.8
517.39154	1.7
535.39880	49.8
536.40375	4.0
553.40759	2.3
598.42120	0.8
600.95313	0.9
643.92181	0.8
760.25635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58747	0.5
65.03918	1.4
67.05495	30.1
68.05813	1.2
69.03411	2.6
69.06710	0.7
69.07059	9.2
71.04976	3.0
73.02902	2.1
79.05482	16.1
80.10463	0.5
81.03403	3.5
81.07045	30.8
83.04958	4.5
83.08619	3.8
85.02893	6.8
85.06531	3.9
91.03944	4.2
91.05467	24.8
93.07029	22.2
95.04964	4.5
95.08596	13.7
96.08872	0.5
97.02892	3.3
97.06516	3.3
97.10131	1.0
99.04437	1.3
99.08092	1.1
101.30997	0.5
103.03909	0.5
105.07017	21.7
107.04925	1.4
107.08578	25.1
108.08910	1.0
108.84079	0.5
109.02825	0.7
109.06514	4.1
109.10142	36.8
110.10453	0.6
111.08061	0.9
113.00986	0.5
113.05994	1.6
115.05479	0.6
115.07590	0.6
117.07005	2.0
119.08561	5.7
119.70997	0.5
121.06544	1.1
121.10123	6.2
123.08034	1.4
123.11688	7.0
125.09621	1.5
127.03896	1.6
127.07524	2.3
129.07025	0.6
131.08560	4.3
133.10112	39.2
134.10423	1.3
135.08008	0.7
135.11659	5.4
137.09572	1.3
137.13225	0.8
143.08519	1.4
145.04936	1.7
145.10120	3.0
147.11685	3.0
149.09573	0.8
149.13264	2.5
151.11166	20.0
159.11635	2.2
161.09604	1.9
161.13252	2.0
163.05989	1.8
163.11169	1.0
163.14775	1.1
169.12245	4.3
171.11725	0.7
173.13228	1.6
177.12727	0.7
179.10640	0.9
183.11577	0.5
184.07283	0.9
185.07727	0.5
185.13156	0.6
187.14856	0.7
189.16431	0.5
202.69585	0.5
215.12715	1.8
229.14377	0.7
233.22653	0.7
234.61053	0.5
239.18021	0.5
243.21132	3.1
253.14319	100.0
254.14732	3.1
259.20657	0.5
261.19394	0.8
261.22113	11.5
262.22565	0.6
271.15363	30.4
272.15482	0.7
275.20016	1.2
279.23111	1.2
284.52460	0.5
317.24667	1.2
335.25742	26.1
336.26074	1.1
349.23712	0.8
353.26636	0.7
439.31995	1.2
457.32935	1.9
513.35730	11.2
514.36078	1.0
531.36731	48.5
532.36755	3.0
549.37805	3.6
605.67969	0.6
735.26489	0.7
891.45502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	4.0
67.05492	100.0
68.05815	1.4
69.03409	8.1
69.07056	49.0
69.66850	5.9
71.01344	1.2
71.04987	7.8
73.02907	1.6
77.03869	0.8
79.05479	50.8
81.03398	11.6
81.07043	82.5
82.07364	1.3
83.04964	9.9
83.08602	17.3
85.02880	4.2
85.06517	6.0
86.09702	4.5
87.04453	1.1
91.03949	1.3
91.05463	53.3
92.05798	0.9
93.07026	54.7
93.19086	0.9
95.01311	1.1
95.04949	16.9
95.08588	44.2
97.02876	4.3
97.06512	19.9
97.10155	12.3
98.20699	1.0
99.04441	1.5
99.08066	3.0
103.03902	1.2
103.05474	2.0
105.04491	1.0
105.07010	43.1
107.04936	12.0
107.08575	39.2
109.02864	1.8
109.06494	10.7
109.10138	49.4
111.04417	2.2
111.08059	8.6
113.09592	1.2
113.27781	0.8
113.47121	0.8
115.05451	2.0
116.04700	1.0
117.06997	17.0
119.04972	1.5
119.08560	33.7
121.06495	6.7
121.09294	1.4
121.10128	19.5
123.04396	1.4
123.08022	5.1
123.11678	5.6
124.99991	2.2
125.09609	11.7
127.03919	2.8
127.27369	0.7
128.06212	1.5
129.05460	2.1
129.06982	9.0
130.07788	0.9
131.08548	24.8
133.06470	2.7
133.10103	27.3
135.08029	7.1
135.11662	12.4
137.05925	0.9
137.09590	12.8
137.13225	1.2
139.07495	1.3
139.11137	2.7
141.06998	2.6
142.07747	1.6
143.08551	6.7
144.90970	0.8
145.06473	2.2
145.10092	19.6
147.08034	3.0
147.11667	15.2
149.09587	24.5
149.13237	8.8
151.11147	4.2
153.09094	2.0
155.08517	3.7
155.10652	2.8
157.08813	1.2
157.10066	6.3
159.08064	2.2
159.11664	15.4
161.09618	2.6
161.13173	7.2
163.11147	11.0
165.09192	1.4
165.12759	3.1
167.10738	1.4
169.10106	4.5
169.12431	0.8
171.11676	5.7
173.04367	1.0
173.09583	1.6
173.11710	13.6
173.13239	5.7
175.11176	4.8
175.14812	1.2
177.12688	5.2
179.14240	5.1
181.10147	1.4
181.12206	1.1
183.11650	3.8
184.07295	14.1
184.84007	1.0
185.09642	0.9
185.11798	1.0
185.13205	4.3
187.11179	2.7
187.13263	1.0
187.14662	2.1
189.11203	6.2
189.12619	1.6
193.12230	3.0
195.11823	1.1
195.13776	3.6
197.13232	3.8
199.14964	1.9
201.12726	2.7
201.16325	1.0
203.14256	1.1
209.13324	1.4
211.13211	2.5
211.14935	1.5
213.14696	1.4
213.16513	1.0
215.14246	0.8
217.15936	1.3
223.13109	1.3
223.15048	1.2
227.12680	11.4
227.17825	1.0
229.14288	26.4
229.19456	3.5
239.17906	3.7
241.14244	1.2
243.15938	2.6
245.13766	2.2
245.19029	1.2
247.20544	2.7
253.14365	1.9
253.17911	2.0
255.15761	1.5
257.19009	10.0
259.20740	0.9
263.20108	1.1
267.15994	4.0
269.17429	18.8
273.18420	6.0
275.20026	45.9
276.20584	1.6
279.16089	1.0
291.19476	6.8
293.21075	5.3
299.14825	1.0
313.21619	1.2
321.24344	1.2
331.22583	2.6
347.22244	1.4
349.23666	39.6
350.24121	1.2
365.23349	6.3
367.24728	7.9
373.18518	1.8
383.24240	14.0
397.25546	0.8
399.23441	1.9
407.27753	1.5
409.25873	2.1
423.27325	17.6
437.29132	1.8
439.26828	1.2
445.29437	2.0
449.28937	1.5
463.30319	3.2
485.32336	1.5
503.33636	16.5
517.35223	2.0
519.32751	2.2
521.34741	5.0
525.35443	2.0
527.37134	1.6
529.35083	2.7
541.35388	1.5
543.36737	19.5
559.35931	1.8
561.37860	2.9
623.43024	11.8
639.42108	1.2
641.43896	10.0
659.45074	1.4
710.40930	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
63.50385	0.5
64.96390	0.5
65.03901	1.0
67.05496	33.5
68.05814	0.6
69.03420	3.0
69.07056	10.0
69.39652	4.5
71.04991	3.4
73.02869	2.0
79.05483	18.4
80.05806	0.7
81.03405	3.0
81.07047	35.1
82.07380	0.9
83.04973	4.2
83.08618	3.3
85.02898	6.3
85.06531	4.1
86.09676	0.8
87.04442	0.6
91.03960	3.2
91.05469	22.5
92.05815	0.6
93.07033	22.6
94.07333	0.8
95.04956	4.4
95.08591	17.5
97.02882	3.3
97.06533	3.2
97.10126	1.6
99.04398	1.9
99.08048	0.9
101.05972	0.6
103.05459	0.5
105.07017	22.6
106.07339	0.6
107.04925	1.1
107.08579	23.7
109.06519	3.7
109.10143	38.6
110.10477	0.8
110.80419	0.4
111.08046	1.2
113.05952	1.7
117.07037	2.4
119.08563	5.7
121.06466	0.7
121.09308	0.6
121.10124	8.1
123.08014	1.0
123.11684	7.4
125.09613	0.7
127.03864	1.5
127.07519	2.2
128.06113	0.7
129.05396	0.6
129.06935	0.5
131.08553	5.0
133.10112	44.4
134.10445	0.8
135.08005	0.8
135.11673	5.1
137.09610	1.1
137.13191	0.5
143.08519	1.4
145.04866	1.4
145.10110	2.7
147.07939	0.6
147.11674	2.3
149.13234	2.8
151.11160	21.9
159.11652	2.5
161.09581	1.2
161.13222	2.2
163.06015	1.5
163.14790	1.6
163.20831	0.5
169.12231	3.4
171.11708	0.6
173.13213	2.0
179.10640	0.7
180.66284	0.6
184.07318	1.7
187.14809	1.1
201.16446	0.6
215.12810	1.6
229.14171	1.0
243.20927	2.3
253.14320	100.0
254.14624	3.2
261.22128	11.9
269.17282	0.6
271.15366	26.3
275.19992	0.9
279.23215	1.7
317.24762	1.4
335.25745	45.5
336.26166	1.5
439.31577	0.7
441.77679	0.5
451.47052	0.5
457.33267	1.1
513.35748	8.9
531.36768	68.4
532.36896	4.3
532.43481	0.5
549.37726	1.8
621.41669	0.6
637.53156	0.5
881.67712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.53
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	4.9
67.05494	100.0
69.03423	8.6
69.07056	36.9
70.80241	3.5
71.01324	1.9
71.04984	7.4
73.02901	4.0
79.05479	53.2
80.05804	1.4
81.03407	21.1
81.07044	69.7
82.07379	2.1
83.04972	15.0
83.08607	22.1
85.02888	12.7
85.06525	5.8
86.09686	2.1
87.04444	4.0
91.05466	43.9
92.05808	1.6
93.07030	51.9
95.04955	14.8
95.08591	35.9
96.08937	1.4
97.02859	7.8
97.06522	14.7
97.10159	20.3
99.04440	2.6
99.08067	4.1
103.03931	1.7
103.05429	1.5
105.04471	2.6
105.06274	1.6
105.07007	31.3
107.04940	11.2
107.08578	39.1
109.02859	2.1
109.06520	7.1
109.10137	57.7
110.10464	1.3
111.04427	2.4
111.08051	6.3
113.09652	1.2
116.04711	1.3
116.06248	1.2
117.07003	14.6
119.08569	27.3
121.06472	6.7
121.10126	17.2
123.08029	5.2
123.11688	4.6
124.99982	1.8
125.09601	18.7
126.69129	1.1
127.03883	3.4
128.06200	1.6
129.05455	4.2
129.06985	5.0
130.07755	1.6
131.08543	20.0
133.06464	3.2
133.10110	22.2
135.08028	4.2
135.11664	13.4
137.09581	4.9
142.07782	1.2
143.08522	3.3
143.10632	2.3
145.06479	1.4
145.10106	15.0
147.08014	3.5
147.11664	12.0
149.09613	11.9
149.13266	6.2
151.11134	2.9
153.09068	2.1
153.12669	2.8
155.08545	2.0
155.10661	2.4
157.08682	1.3
157.10126	4.4
159.11674	11.9
161.09561	1.7
161.13214	5.3
163.11143	14.0
165.12718	1.3
169.10107	2.1
171.10352	1.1
171.11667	4.9
173.04407	2.3
173.09599	3.2
173.11710	16.6
173.13255	5.3
175.11154	2.8
175.14795	1.4
177.12752	3.1
179.14351	1.8
181.12180	3.6
183.11664	3.0
184.07291	4.7
185.13301	2.0
187.11171	2.0
189.11234	6.7
189.12624	1.4
191.10631	3.2
193.12180	3.8
195.13757	4.3
197.13306	1.4
199.13268	6.1
209.11664	4.6
211.14972	1.1
217.14296	1.8
219.17549	1.0
227.12756	20.9
229.14305	46.5
229.19426	2.5
233.15291	1.6
239.17950	2.7
247.20483	2.6
253.18066	1.1
255.15796	5.8
257.19125	6.4
259.90753	1.0
265.14285	2.1
267.15836	7.2
269.17462	19.5
273.18588	1.3
275.20001	32.9
283.15295	4.4
285.16968	3.2
291.19482	1.5
292.19940	1.3
293.17358	1.4
293.20581	2.3
301.16437	11.5
313.27115	1.2
331.22650	1.3
333.24231	1.2
335.25739	4.3
336.26141	1.9
349.19745	2.1
349.23700	28.2
367.24875	1.7
399.23740	16.3
409.25818	7.5
423.27359	20.2
424.27435	1.4
459.27225	1.4
477.28519	1.6
495.29248	4.7
503.33679	14.0
507.28928	1.4
513.17963	1.3
521.34387	1.5
529.38599	4.0
546.38599	1.7
557.34357	1.4
559.35516	1.2
575.35327	3.3
579.35095	2.1
593.36823	19.1
673.42773	10.2
691.43750	3.4
765.60492	1.4
835.46588	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97090	0.8
65.03924	5.4
66.80910	0.7
67.05492	100.0
68.05812	1.3
69.03420	12.1
69.07056	61.6
69.63007	3.3
69.63430	2.3
71.01340	6.2
71.04985	7.4
73.02894	3.7
77.03869	1.6
79.05479	75.6
80.06242	1.3
81.03407	23.1
81.07042	89.0
83.04967	18.1
83.08600	20.0
84.02106	1.0
84.91843	0.7
85.02895	8.3
85.06525	6.9
86.09692	1.4
87.04448	1.6
91.03936	2.3
91.05463	73.0
92.06265	1.0
93.07027	68.0
94.04195	1.0
94.07339	1.0
95.01279	0.9
95.04346	1.5
95.04948	26.0
95.08589	53.5
96.05715	1.4
97.02872	9.9
97.06513	20.7
97.10152	10.9
99.04433	3.3
99.08041	4.3
103.05444	2.6
105.04526	2.0
105.07011	50.9
107.04943	14.2
107.08573	38.7
109.02850	2.9
109.06498	10.4
109.10137	27.9
109.10908	1.1
111.04417	3.1
111.08064	9.0
113.05994	2.2
113.09653	1.8
115.05423	3.0
115.07571	0.8
116.04668	1.0
117.06989	16.2
119.04934	1.1
119.08563	36.5
121.06487	8.6
121.10120	21.0
123.08038	12.1
123.11671	6.8
125.00002	0.9
125.05878	1.0
125.09610	10.5
127.03902	3.6
127.07487	1.1
128.06203	3.0
129.05484	6.0
129.06976	9.7
130.07745	2.3
131.08537	24.4
133.06451	3.3
133.10109	31.3
135.08032	7.7
135.11659	25.4
137.05972	1.2
137.09598	10.9
139.07570	1.9
139.11163	1.4
140.00526	0.8
141.06978	3.0
142.07719	2.3
143.07011	1.5
143.08530	7.7
145.04901	1.0
145.06477	1.5
145.10107	19.8
146.10571	0.8
147.07973	4.2
147.11662	15.7
148.12114	0.8
149.09586	18.0
149.13234	6.3
149.51973	0.8
151.11176	6.8
153.09094	1.9
153.12712	1.2
155.08524	4.1
155.10600	1.1
156.09242	0.9
157.08646	1.8
157.10109	7.4
157.96417	0.7
159.08015	1.7
159.11670	12.0
161.09544	3.8
161.13234	5.4
163.11150	12.7
165.09016	1.4
165.12759	2.5
167.08632	1.2
167.10619	1.8
169.10097	3.0
169.12195	1.4
171.10135	2.5
171.11659	5.4
173.04420	1.5
173.09587	1.2
173.10272	0.9
173.11702	6.4
173.13254	5.7
175.11142	6.5
175.14761	1.1
177.12752	5.0
179.10674	1.1
179.14259	6.0
181.10034	1.2
181.12224	4.1
183.11676	2.6
184.07257	4.6
185.11705	1.0
185.13219	2.7
187.11151	1.6
187.13191	2.3
187.14818	2.2
189.11188	2.7
189.12697	2.2
189.16231	0.8
191.10588	1.0
191.14253	1.0
193.12259	4.2
195.13701	1.9
197.13182	2.3
199.11200	0.8
199.13185	2.0
199.14847	1.2
201.12717	1.7
203.10562	0.9
205.12126	1.3
205.15779	1.0
207.13834	1.1
211.13211	1.9
213.16396	1.0
215.14415	1.0
217.15829	1.0
219.13673	1.6
223.13297	2.0
227.12631	4.6
227.17920	1.1
229.14261	9.3
229.19450	2.5
233.15314	1.4
233.18794	0.9
239.17838	1.8
243.15802	6.7
247.20502	2.1
249.14908	1.0
253.14284	2.1
253.17918	3.5
255.15764	14.5
257.18936	5.5
263.20084	1.4
267.15829	5.6
268.16705	0.9
269.17435	7.1
273.18481	4.8
275.20004	27.2
279.15848	0.9
285.16876	7.1
291.19476	9.3
293.21075	3.0
297.16895	1.3
299.19894	0.9
300.13663	0.9
301.16373	1.7
309.20505	0.9
321.24222	1.3
329.20859	0.9
331.22537	1.2
335.25693	1.7
349.23676	21.6
351.21445	1.9
363.21457	1.0
365.23053	3.3
367.24680	1.2
383.24072	2.0
399.23849	1.3
409.25751	3.0
413.21280	1.2
421.29123	0.9
423.27298	3.5
433.29559	2.3
449.29068	1.2
460.97125	0.8
503.33533	1.8
517.34814	1.9
529.35419	3.4
543.35895	1.3
559.35852	2.1
575.35419	1.2
579.34534	1.0
597.41022	0.9
623.43134	1.3
673.42273	1.2
888.53253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
62.87033	0.2
65.03922	1.6
65.32112	0.3
67.05492	44.0
68.05823	0.3
69.03419	1.5
69.07055	12.9
71.04975	2.9
73.02904	2.3
77.03902	0.7
79.05479	27.1
80.05813	0.4
81.03416	1.5
81.07040	55.5
81.53014	0.3
82.07383	0.7
83.04961	3.0
83.08598	8.1
85.02882	7.0
85.06525	2.5
87.69244	0.3
91.03393	0.4
91.03944	5.4
91.05463	13.9
91.69804	0.3
93.07025	44.1
94.07338	0.4
95.04962	4.0
95.08588	25.7
96.08929	0.5
97.02865	4.7
97.06511	6.0
97.10181	1.8
99.04459	0.5
99.08087	1.7
99.90616	0.3
103.05460	0.3
104.17162	0.3
105.04547	0.4
105.07008	8.5
107.04943	0.5
107.08572	23.8
108.08893	0.4
109.06498	2.0
109.10135	9.2
111.08068	4.3
111.11697	0.7
113.06062	0.5
113.09618	1.0
115.03918	0.5
117.06990	5.6
119.08562	6.6
120.24210	0.3
121.06507	0.6
121.10121	18.0
123.08057	1.2
123.11699	2.7
125.09618	0.9
127.03920	1.7
129.05530	0.3
129.06972	0.4
131.08549	8.3
133.10103	7.3
135.08054	1.2
135.11661	9.5
137.09601	0.5
137.13260	1.1
139.07500	0.4
139.11174	1.6
139.53372	0.3
144.09268	0.3
145.04951	1.5
145.10089	3.1
147.11635	3.2
149.09677	0.5
149.13228	20.9
151.11163	0.8
157.10124	0.8
159.11662	10.1
160.12109	0.3
161.13231	1.9
163.06003	2.1
163.11166	0.5
163.14775	1.6
165.12643	0.4
167.14404	0.3
171.11690	0.4
173.13217	2.1
173.94237	0.3
175.14824	0.9
177.12720	3.6
177.16441	0.8
187.14815	1.0
195.13744	6.6
201.16438	0.4
213.14842	1.1
229.14366	0.7
243.21080	2.2
249.18436	0.4
254.83508	0.3
259.20541	0.4
261.22089	7.9
267.15857	3.0
269.17422	92.1
270.17810	2.2
271.19067	0.3
279.23203	0.4
299.23602	0.3
315.23090	0.3
317.24649	1.6
333.24118	0.7
335.25732	46.3
336.26074	1.2
413.21738	0.3
437.33981	1.1
455.29456	0.3
455.35242	1.3
473.36090	0.4
502.50269	0.3
511.37839	1.5
529.38794	100.0
530.39136	5.8
534.81903	0.3
547.39825	3.4
888.50214	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.0
67.05494	49.2
68.05816	0.6
68.86390	0.4
69.03413	3.0
69.07059	14.8
71.04976	3.4
71.08609	0.7
73.02902	2.9
77.03899	0.4
79.05479	31.2
80.05808	0.6
81.03419	3.3
81.07043	57.9
82.07355	0.8
83.04961	3.8
83.08604	11.5
85.02889	12.4
85.06532	2.8
86.09717	0.5
87.04476	0.6
91.03935	7.9
91.04879	0.9
91.05463	21.1
93.07027	40.6
94.07364	0.5
95.04949	4.8
95.08590	27.7
97.02875	6.6
97.06519	5.8
97.10144	3.2
99.04440	1.1
99.08088	1.6
105.04548	1.0
105.07013	13.1
107.04955	1.1
107.08574	24.3
109.02843	0.8
109.06509	2.6
109.10137	13.8
111.08073	3.4
113.09588	0.8
115.03904	0.9
117.07006	8.2
119.08558	8.7
119.09336	0.7
121.06480	1.7
121.10124	14.5
123.08057	1.4
123.11680	5.6
125.09623	1.4
127.03919	2.9
129.05447	0.7
129.06979	1.5
131.08549	9.8
133.10107	14.1
135.08073	1.3
135.11667	11.3
137.09541	0.9
137.13237	0.8
139.11128	0.4
142.58777	0.4
143.08542	1.1
145.04933	3.1
145.10089	5.3
147.11659	5.7
149.09616	1.2
149.13242	11.3
151.11177	1.3
155.08559	0.5
157.10098	1.1
159.11658	8.4
161.13222	2.6
163.06000	4.1
163.11163	1.3
163.14816	1.8
165.12669	0.7
167.14323	0.7
171.11612	2.1
173.11719	1.4
173.13232	3.4
175.14816	1.6
176.17671	0.4
177.12724	2.4
177.16368	0.6
179.14265	0.8
180.08669	0.4
183.11646	0.6
184.07390	0.8
185.13162	0.9
187.14783	1.7
189.11267	0.4
189.12709	0.5
195.11986	0.6
195.13763	9.0
199.13167	0.5
199.14844	0.7
201.16321	0.9
203.53920	0.4
213.14690	1.7
229.14258	3.1
243.21080	2.3
251.16394	0.6
253.17967	0.7
257.19250	0.5
259.20654	1.0
261.22134	7.7
267.15894	2.1
269.17429	67.9
270.17773	1.2
275.20096	1.0
279.23108	0.4
281.17401	1.0
290.22708	0.4
291.19470	1.4
293.20966	0.6
299.23715	0.6
301.16498	0.9
313.25378	0.4
317.24844	2.0
331.22388	0.4
333.24051	0.7
335.25745	57.3
336.26096	1.5
347.25711	0.5
349.24118	0.6
365.23300	0.6
413.21515	0.5
419.32874	1.2
423.27148	0.6
435.26996	0.6
436.77759	0.4
437.34164	3.0
445.18729	0.4
447.31131	0.5
455.35092	1.7
472.15668	0.5
473.36053	0.6
475.34796	0.6
489.35516	0.6
511.37830	2.0
529.38812	100.0
530.39227	4.7
542.87097	0.4
547.40057	4.1
593.36737	1.1
673.42676	0.8
888.51355	0.6
916.87720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	5.2
67.05492	100.0
68.05033	0.9
68.05830	1.3
68.23096	0.6
69.03416	12.9
69.03759	1.3
69.07056	66.4
69.55745	5.2
71.01346	6.3
71.04976	8.5
73.02904	4.6
73.06518	0.7
77.03918	1.5
79.05478	70.8
80.05838	0.8
80.06275	1.2
81.03406	20.5
81.07041	82.5
82.07378	1.2
83.04966	15.0
83.08602	19.9
85.02885	9.1
85.06525	6.8
87.04453	1.7
91.03950	2.1
91.05464	71.0
92.05811	2.0
93.07025	60.5
94.07351	0.9
95.01317	1.0
95.04951	23.6
95.08588	51.1
96.08912	1.2
97.02877	9.4
97.06507	20.6
97.10148	16.7
97.10757	1.1
99.04449	2.9
99.08064	3.5
101.02361	0.9
103.03998	0.8
103.05477	2.7
105.04533	2.2
105.07011	48.9
107.04934	14.2
107.05605	1.0
107.08573	39.2
109.02872	2.6
109.06506	9.6
109.10134	37.4
111.04452	2.4
111.08067	8.9
113.06004	0.7
113.09659	1.9
115.03886	0.8
115.05470	2.1
116.04697	1.5
116.06232	1.4
117.06993	17.0
119.04939	1.4
119.06072	0.7
119.08556	32.2
120.05716	0.7
121.06494	6.8
121.10120	19.2
123.08033	11.6
123.11691	5.5
125.09605	14.7
127.03896	4.4
127.07520	1.1
128.06239	2.3
129.05489	6.0
129.06978	10.2
130.07794	1.9
131.07568	1.5
131.08542	20.6
131.09488	1.2
132.08916	0.8
133.06493	3.9
133.10109	30.9
135.08028	7.6
135.11667	20.4
136.12041	1.0
137.05956	1.2
137.09596	12.8
137.10558	1.2
139.07538	1.5
139.11194	1.6
141.06973	3.2
141.09076	1.5
142.07767	2.2
143.07385	1.0
143.08531	6.6
144.09129	0.7
145.04999	1.1
145.06461	1.5
145.10098	18.4
147.08037	4.8
147.11652	13.6
147.12733	0.8
149.09592	23.1
149.13226	5.5
151.07550	0.7
151.11176	4.2
153.09126	2.1
155.08551	3.4
155.10641	1.2
157.06645	0.6
157.08658	2.0
157.10138	7.8
158.10599	0.6
159.08112	1.2
159.11661	13.0
161.09625	5.3
161.13237	8.3
163.11151	12.5
163.14824	1.0
165.09132	2.2
165.12761	3.0
167.10631	1.1
169.10092	3.2
169.12283	1.0
171.08095	0.8
171.10185	3.3
171.11714	5.6
173.04463	1.0
173.09642	1.6
173.11734	7.5
173.13293	5.4
175.11163	4.9
175.14798	1.2
177.12724	3.8
179.10701	1.0
179.14285	5.8
181.10150	0.8
181.12251	2.5
183.11694	2.9
184.07384	2.6
185.09592	1.3
185.11696	1.1
185.13144	3.7
187.11194	2.7
187.13327	2.3
187.14842	1.2
189.11247	4.8
189.12627	1.5
191.10684	1.0
191.14302	0.8
193.10645	0.7
193.12314	2.5
195.11720	1.2
195.13867	2.0
197.13213	4.2
199.11539	0.9
199.13312	2.6
199.14929	1.3
201.12614	1.6
203.14371	0.9
205.12105	1.3
209.11653	0.8
211.13245	2.2
211.14977	1.3
215.18019	0.9
217.15921	1.0
219.13861	1.4
221.15379	1.1
223.13339	2.9
227.12741	10.7
227.18030	1.1
229.14281	12.5
229.19572	1.5
231.17471	0.8
233.15395	1.6
239.17990	3.0
243.15869	4.5
245.19066	1.4
247.16962	1.0
247.20576	2.2
253.14346	1.6
253.17938	3.5
255.15730	8.0
257.18930	6.6
259.20563	1.4
261.18817	0.8
267.15790	4.6
268.16476	0.8
269.17392	5.0
271.15359	1.1
273.18481	5.3
274.19009	1.1
275.20007	28.3
276.20395	1.5
279.16071	0.9
283.15338	1.4
285.17007	3.0
291.19458	9.4
292.19812	1.1
293.21130	2.5
297.16705	0.9
301.16357	1.6
313.21472	0.9
321.24261	1.8
331.22659	1.5
335.25797	0.8
347.21872	0.8
349.23679	25.8
350.24188	1.8
351.21771	1.5
365.23523	3.4
383.24304	1.3
397.26096	0.8
399.24005	3.3
407.28781	1.0
409.25775	2.7
421.29993	1.0
423.27475	3.0
433.29523	2.5
439.26773	0.9
445.29584	1.1
477.28656	1.0
503.33578	4.4
517.35388	1.8
527.37366	1.9
529.34760	3.4
541.34998	0.8
542.35773	1.0
543.36688	1.5
559.36438	1.2
593.36816	1.0
623.43018	4.2
629.15759	0.8
641.43372	0.9
673.43011	3.2
691.43823	0.9
888.52509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	5.3
67.05496	100.0
68.05830	1.4
69.03078	1.3
69.03418	19.3
69.07060	75.4
69.58530	2.4
69.58931	8.3
71.01326	3.5
71.04987	25.3
73.02905	6.2
77.03915	2.4
77.17039	0.9
79.05484	84.1
80.06251	1.0
81.03410	27.0
81.07047	97.2
82.07357	1.9
83.04970	18.0
83.08607	23.6
85.02894	11.5
85.06532	7.5
86.09693	2.6
87.04414	1.1
91.03924	1.9
91.05469	81.5
93.07034	72.3
94.04158	1.3
94.07384	1.3
95.01349	1.2
95.04961	30.5
95.08595	52.5
96.05751	1.1
97.02878	12.7
97.06516	78.0
97.10149	12.6
98.21548	2.0
99.04429	3.5
99.08089	6.9
100.21358	1.1
101.02383	1.8
103.05444	4.2
105.04504	3.3
105.07019	58.8
106.07320	1.3
107.04948	15.5
107.08586	44.3
109.02857	3.7
109.06503	20.6
109.10143	35.9
111.04422	3.5
111.07327	1.7
111.08061	14.0
113.05981	4.3
113.09605	1.5
115.05433	3.5
115.07552	18.3
117.07001	25.1
119.04945	2.1
119.08564	38.9
120.05671	1.3
121.06504	14.1
121.10130	20.3
123.04388	2.9
123.08047	8.0
123.11708	5.6
125.05987	2.3
125.09612	12.4
127.03876	7.5
127.07586	1.9
128.06219	4.5
129.05452	3.8
129.06987	13.7
130.07794	2.3
131.07065	2.0
131.08554	30.7
131.09505	2.3
133.06483	6.3
133.09094	2.2
133.10110	42.8
135.08049	13.0
135.11670	18.9
137.09598	11.8
139.07489	3.0
139.11102	2.1
141.06967	4.0
142.07744	2.6
143.08549	11.4
145.04980	1.6
145.06454	3.7
145.10104	25.0
147.08063	7.3
147.11664	16.4
149.09605	23.0
149.13235	12.7
151.07579	1.4
151.11179	6.6
153.06923	1.6
153.09100	2.8
155.08551	4.8
157.06512	1.3
157.10109	11.5
159.07979	3.4
159.11661	19.4
159.12965	1.2
161.09587	8.1
161.13278	7.4
163.11131	11.7
165.09126	3.8
165.12682	1.9
167.08571	1.9
169.10095	8.0
169.12210	1.6
171.08063	1.5
171.10294	2.3
171.11687	8.1
173.04453	3.8
173.09628	3.7
173.11728	7.3
173.13246	6.6
175.11142	7.1
175.14789	2.1
177.09070	1.2
177.12762	8.2
179.10693	1.5
179.14317	4.6
181.10191	2.4
181.12215	2.8
183.11629	5.5
184.07277	12.3
185.13237	4.4
187.11150	4.2
187.14815	2.2
189.09457	1.1
189.11214	5.7
189.12637	2.6
191.14253	1.6
193.10298	1.1
193.12221	3.0
195.11842	2.2
195.13773	7.3
197.13239	3.5
199.14941	2.1
201.12770	2.6
203.14253	1.5
205.12222	2.2
207.11711	1.5
209.13258	1.9
211.13133	2.0
211.14890	2.0
213.12810	1.1
213.16467	1.6
215.14369	1.8
215.17867	1.3
217.15839	2.7
219.13782	2.1
221.15256	1.6
223.13161	2.1
224.22348	1.2
227.12750	10.5
227.17838	2.4
229.14235	12.3
229.19380	2.0
231.13757	1.8
231.17355	1.6
233.15311	3.8
239.18007	2.3
243.13690	1.4
243.15933	4.0
245.13750	1.8
245.19009	3.1
247.16872	1.7
247.20558	2.9
249.14870	2.1
251.16374	2.1
253.14241	6.7
253.18057	2.0
255.15631	8.3
257.19049	7.0
261.18417	2.7
263.20032	1.9
267.15826	4.9
268.16467	2.2
269.17453	24.5
273.18481	17.9
275.20020	30.7
276.20261	1.7
279.15817	3.0
289.17923	2.5
291.19489	19.7
293.21182	3.2
297.16876	1.6
307.19208	1.6
321.24118	1.7
329.21173	1.5
347.22174	4.2
349.23645	28.7
350.24249	1.4
365.23257	9.8
367.24667	2.1
383.24448	1.7
409.25903	1.7
413.21426	1.8
421.25571	1.2
423.27350	8.8
445.29318	3.6
447.31476	1.4
449.28931	5.8
461.29303	1.4
463.30457	7.2
477.27679	1.2
491.29306	1.1
503.33524	4.9
517.34912	1.4
519.33093	4.3
521.34430	1.5
525.35535	4.4
529.35156	18.1
543.36798	15.3
559.36035	3.3
561.37427	3.2
575.39453	2.0
607.34680	1.6
623.42230	2.9
639.42206	5.1
657.44110	2.5
726.42981	1.9
731.55103	1.4
888.52136	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	6.9
69.07046	2.2
70.86981	2.1
70.95856	1.7
71.08613	3.6
71.93004	0.7
72.93777	5.1
79.05464	4.4
81.03397	2.5
81.07040	5.5
83.08598	1.8
85.10175	2.1
86.09711	1.2
88.96901	1.0
90.94827	4.1
91.05474	5.1
93.07035	5.4
95.04925	1.0
95.08593	5.8
97.10174	0.9
105.07053	1.7
107.08599	2.0
108.95856	2.3
109.02877	3.8
109.10128	1.7
113.96401	0.8
117.06996	0.8
119.08574	1.3
121.10104	1.5
123.11655	1.0
127.43666	0.9
128.96356	0.9
129.07063	0.7
131.08525	1.1
131.98706	0.8
133.10103	1.8
134.97478	0.9
138.98415	0.9
144.99451	1.5
146.97377	0.9
148.98978	1.1
151.97633	1.3
162.96822	1.1
164.99957	2.0
165.97107	1.2
166.97917	1.3
168.99525	0.7
170.91400	2.1
178.97853	1.7
180.99490	0.9
183.00983	0.9
183.98141	1.3
184.07326	1.1
184.98898	0.9
187.00389	1.1
188.92445	17.1
189.03586	0.8
193.92882	1.3
196.99222	0.9
200.02919	1.0
206.93533	1.1
208.92937	2.0
211.94048	2.9
212.92554	0.9
213.03670	1.4
215.05191	0.8
219.01163	0.9
222.29414	0.7
226.93994	14.9
227.05188	1.5
230.93501	2.7
235.00603	0.7
237.01888	0.9
241.05177	2.2
244.95055	2.6
249.95602	2.4
255.06743	2.4
267.96823	0.9
268.95029	2.0
275.07144	1.5
279.08258	2.7
281.09869	5.6
283.11447	3.5
296.94360	2.0
306.96808	0.9
310.96063	1.2
313.27307	11.5
314.95758	4.0
327.10364	0.8
329.11942	5.3
331.13367	10.3
332.15308	0.8
333.15060	100.0
334.15289	2.3
334.96146	1.3
335.25824	2.7
337.97150	0.8
340.82068	0.9
351.15991	1.9
358.83301	0.9
365.13873	1.7
370.14432	1.0
370.98053	1.0
372.15948	1.2
374.17487	3.8
389.17685	2.4
465.17380	1.5
467.12906	0.8
469.14328	31.1
470.14432	1.0
483.17767	0.8
492.12482	0.9
507.17926	1.5
519.17877	0.9
521.19458	1.3
545.19611	1.0
549.18896	2.5
573.19476	3.8
573.48773	15.2
591.20251	2.1
606.35284	0.9
609.21216	5.9
627.21814	2.2
627.45502	1.6
631.19476	2.2
645.41589	9.4
649.19727	0.8
725.37482	2.1
869.42737	1.3
887.45679	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	886.5141
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.3
67.05492	58.5
69.03412	9.2
69.07057	28.0
71.04980	3.4
71.10115	0.9
73.02902	2.3
73.09589	0.7
79.05482	31.0
81.03409	9.9
81.07044	34.6
83.04963	8.2
83.08598	14.0
85.02892	6.4
85.06522	2.5
85.93023	0.8
87.04459	1.4
91.05462	24.9
91.43110	0.8
93.07026	22.2
95.01286	1.2
95.04957	11.0
95.08588	18.2
97.02877	10.7
97.06531	5.0
97.10153	16.3
99.04453	1.2
99.08081	1.4
105.07014	15.2
106.39400	0.9
107.04935	10.3
107.08575	17.4
109.02901	1.1
109.06489	4.9
109.10136	38.1
111.04438	2.0
111.08057	3.9
113.06000	1.1
115.05416	1.2
116.04705	1.1
117.07010	8.1
119.04895	1.3
119.08558	16.8
121.06497	4.1
121.10120	8.1
123.04411	1.2
123.08050	4.1
123.11698	1.8
125.09603	13.2
128.62437	0.8
129.05450	2.7
129.06989	5.7
130.07768	1.5
131.08542	8.2
133.06465	3.4
133.10095	9.1
135.08041	5.3
135.11690	4.6
137.09587	4.8
142.07776	1.0
143.08524	2.8
143.10652	2.0
145.06482	0.9
145.10094	7.7
147.08002	7.0
147.11678	4.0
149.09613	2.8
149.13243	2.3
151.11182	2.9
153.09102	0.9
153.12715	1.6
155.08597	1.2
155.10606	1.5
157.10092	3.5
159.08018	1.4
159.11652	3.8
161.09564	2.7
161.13187	1.7
162.10361	1.2
163.11124	5.3
165.09065	2.0
169.10040	1.2
169.12308	1.0
171.10149	1.0
171.11583	1.9
173.09616	1.0
173.10083	1.0
173.11694	11.2
175.11200	3.4
177.12743	1.7
179.10655	1.5
181.12285	1.9
184.07228	1.4
189.11182	3.2
189.12701	1.1
191.10663	1.7
193.12152	2.7
199.13234	4.7
199.14836	1.0
205.12288	1.3
209.11699	4.2
211.13263	1.8
217.19528	0.8
223.13237	15.0
227.12767	8.4
229.14301	31.8
245.18953	2.7
249.14871	2.7
249.18582	1.0
253.14258	4.4
255.17511	1.2
265.14319	1.6
267.15891	7.4
273.18436	13.9
275.20010	1.3
281.69604	1.0
283.15198	3.8
291.19492	100.0
292.19864	2.4
301.16440	8.9
313.27286	1.1
335.25690	2.6
347.22083	2.5
365.23178	42.0
366.23419	1.4
388.40952	0.9
399.23709	12.5
433.29102	1.0
489.32056	2.5
507.32803	2.4
519.33136	33.4
527.37024	7.6
557.34131	2.0
573.34222	2.1
578.26361	0.9
591.35345	7.3
609.36078	2.6
624.09967	0.9
654.97107	0.9
689.42468	17.8
887.48590	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.1
67.05492	13.7
67.51484	0.4
69.03412	3.1
69.07057	4.7
70.15413	1.8
71.01339	0.4
71.04980	2.9
73.02894	1.0
79.05478	14.7
79.13630	0.4
81.03403	65.4
81.07039	16.0
82.03732	0.7
82.07383	0.4
83.04972	7.0
83.08605	18.6
85.02890	11.3
85.06545	1.1
87.04452	0.5
91.03957	1.9
91.04880	0.6
91.05466	19.3
93.07027	10.7
95.04951	23.2
95.08587	6.7
97.02881	3.5
97.06525	2.3
97.10152	5.5
99.04469	0.6
99.08073	0.7
105.07012	14.4
107.04227	0.3
107.04928	6.3
107.08570	6.5
109.02907	0.5
109.06483	3.8
109.10127	3.6
111.04410	2.0
111.07337	0.7
111.08063	8.5
113.05983	0.9
115.05436	1.8
117.07005	2.7
119.04921	1.1
119.08560	13.0
121.06488	3.5
121.10121	7.2
122.89828	0.4
123.04405	1.6
123.08037	2.6
123.11681	1.3
125.09602	3.3
125.31144	0.4
127.03925	0.9
127.07553	0.5
128.06201	0.6
129.05482	0.6
129.06978	8.9
131.04919	1.1
131.08540	9.7
131.09503	0.6
133.06461	3.8
133.10103	6.5
135.08008	1.3
135.11662	1.2
137.05974	0.8
137.09622	2.2
141.06999	0.9
142.07762	2.4
143.08549	1.6
145.05292	0.5
145.06477	5.0
145.10089	2.5
147.04459	0.5
147.08040	4.3
147.11662	9.8
149.09584	5.9
151.03883	0.5
151.11046	0.6
155.08508	0.7
157.06459	0.7
157.10100	11.2
159.08061	1.1
159.11691	0.9
161.05963	0.7
163.05951	1.0
163.11124	2.2
165.09035	0.4
165.12711	2.7
169.06468	0.6
169.10168	0.8
170.79213	0.4
171.07986	0.9
171.11655	1.1
173.09607	0.6
173.11797	0.5
175.11153	12.9
175.12697	0.6
177.12669	0.7
181.10048	0.7
183.07988	0.7
183.11554	0.5
185.09631	0.5
185.13213	0.9
187.11157	0.9
189.09367	0.4
189.11194	1.7
189.12711	0.6
190.09479	0.4
193.12212	33.2
194.12614	0.5
195.07977	0.4
195.11661	0.9
197.13264	0.9
203.14255	0.5
205.12242	1.2
209.11568	0.5
211.11320	0.5
211.13240	12.1
211.15211	0.7
213.12653	0.8
215.14340	0.4
217.12297	0.4
223.13289	0.8
227.12628	1.0
227.14503	0.7
229.14320	1.4
231.13733	0.5
233.15327	1.3
235.13345	0.7
237.12709	1.1
237.14810	0.4
239.14278	0.5
249.14833	1.4
255.13829	2.2
259.13306	0.6
261.14810	0.4
267.15866	100.0
268.16205	2.8
273.14798	4.9
283.15384	0.4
285.16913	10.7
287.16541	0.5
301.13867	0.4
309.16843	0.8
321.22122	0.7
323.19852	0.8
339.23035	0.7
341.21054	1.7
342.96997	0.4
347.39276	0.4
349.21658	2.9
357.24304	1.0
367.22607	6.3
368.22656	0.4
385.23663	8.5
403.24673	2.9
405.24591	0.7
415.24594	0.5
420.62625	0.4
421.25583	0.4
423.25266	0.5
433.25806	16.4
434.25967	0.6
441.26263	7.0
442.26901	0.4
459.27328	83.6
460.27737	3.5
469.39890	0.4
477.28406	54.5
478.28806	2.5
491.29916	1.4
501.28513	1.9
509.31027	1.2
519.29303	3.0
525.28461	0.7
543.29352	0.8
567.29181	1.1
573.30121	1.2
585.30957	2.0
603.31677	2.1
621.32361	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.9
65.08605	1.1
67.05494	55.3
69.03071	1.8
69.03421	25.6
69.06710	2.6
69.07059	31.0
69.68176	10.4
71.04984	9.9
73.02908	3.4
79.05481	52.6
81.03405	100.0
81.07044	74.1
83.04970	28.2
83.08604	27.1
85.02880	23.5
85.06516	4.7
86.09728	2.1
91.03950	3.3
91.05464	74.4
93.06461	2.7
93.07030	50.4
95.01295	6.0
95.04352	2.2
95.04955	32.0
95.08591	36.9
97.02872	23.1
97.06515	44.7
97.10163	9.1
98.20836	3.1
99.04460	7.4
99.08074	4.2
101.02306	1.6
101.06017	1.5
103.05446	3.3
105.04538	2.0
105.07015	71.8
106.07347	1.9
107.04941	21.4
107.08575	28.7
109.02872	15.3
109.06499	11.5
109.10147	16.6
111.04416	10.1
111.08051	10.9
113.05997	1.6
115.05434	3.0
116.06226	1.6
117.07012	22.6
119.04946	3.0
119.08562	48.4
121.06515	9.3
121.10140	16.3
123.04396	5.2
123.08041	8.3
123.11684	4.1
124.99995	1.5
125.09608	8.4
127.03897	18.9
128.06203	3.2
129.05440	4.8
129.06979	14.3
130.07776	1.5
131.04950	1.7
131.08548	33.5
133.06453	4.6
133.10110	43.4
135.04405	2.8
135.08022	6.9
135.11665	10.7
136.08673	1.4
137.05922	2.1
137.09581	5.3
139.03897	1.6
139.07509	2.4
141.06964	3.6
142.07739	3.1
143.08557	10.0
145.06429	3.7
145.10100	24.0
147.04330	2.3
147.07991	5.6
147.11668	33.4
149.09599	17.5
149.13208	6.4
151.11143	4.1
153.07013	1.5
153.09154	1.8
153.12672	1.7
155.08516	6.0
157.10098	20.4
159.08005	2.2
159.11656	14.9
161.05942	2.0
161.09579	3.0
161.13217	6.3
163.11169	9.4
165.09039	3.2
165.12718	5.7
166.71844	1.3
167.08481	1.7
167.10706	1.6
169.10083	5.5
171.08026	1.7
171.11642	6.4
173.04453	13.0
173.09567	3.0
173.11832	2.3
173.13226	8.1
175.11150	12.0
177.12692	3.7
177.88481	1.3
179.14230	8.8
181.10033	2.2
183.11665	4.8
184.07306	2.9
185.09642	1.6
185.13223	4.4
187.11171	6.0
187.14793	2.0
189.11191	2.5
189.12737	2.5
191.10571	2.4
193.10353	2.7
193.12202	33.3
195.11714	2.3
195.13644	1.9
197.13216	3.4
199.11121	3.0
201.12646	1.5
209.13280	3.0
211.13240	34.2
215.14207	1.4
215.17888	1.6
217.12260	1.7
223.13293	1.8
227.12691	4.5
229.14246	3.5
229.19431	3.5
231.13751	2.3
233.15207	1.6
239.17928	1.7
247.20505	4.0
248.32303	1.4
249.14946	1.4
257.18954	10.1
259.20554	3.4
267.15878	43.0
269.17572	4.5
273.14810	2.0
275.20020	74.3
276.20309	3.2
279.15948	2.1
283.15173	2.0
285.16898	18.6
293.21045	6.6
309.17017	2.0
315.23300	1.8
331.22537	2.6
349.23694	47.3
350.23743	1.8
355.17612	2.1
393.19067	2.8
403.29907	1.3
411.20081	6.0
429.21167	27.6
443.27426	1.7
461.06882	1.7
461.29111	6.7
467.31546	2.2
479.29843	3.6
513.35760	1.9
523.33856	3.6
531.36609	1.8
541.35144	94.0
542.35217	4.8
546.57593	1.6
559.36169	41.6
583.35822	3.5
587.32196	1.7
605.32813	2.7
623.33832	5.8
649.37439	2.3
651.38086	1.6
667.37970	4.4
685.39093	10.1
703.40399	65.7
704.40161	3.2
721.40851	5.5
812.99866	2.0
883.43665	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	882.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
64.96639	0.2
65.03921	0.6
67.05494	12.7
69.03416	2.6
69.07055	6.5
69.07441	0.2
69.40748	0.4
69.41161	1.4
71.01369	0.2
71.04984	2.1
71.08620	15.1
72.08964	0.2
72.77261	0.2
73.02908	2.0
73.06569	0.2
77.03933	0.3
79.05480	8.6
81.03405	25.1
81.07041	17.6
82.03750	0.2
82.07396	0.3
83.04968	5.9
83.05445	0.4
83.08605	14.5
84.08967	0.2
85.02889	16.0
85.06532	1.0
85.10166	9.5
87.04446	0.6
89.06003	0.9
91.03945	5.2
91.05464	11.5
93.07029	7.0
95.04953	10.1
95.08588	15.7
96.04459	0.3
97.02872	4.9
97.06502	1.6
97.10155	4.5
97.10760	0.3
99.04446	0.8
99.08079	0.8
99.11713	0.4
101.02359	0.2
101.06054	0.2
103.03954	0.2
103.05432	0.2
103.07552	0.9
105.07012	8.5
107.04932	2.7
107.08579	3.5
109.02875	0.5
109.06506	1.6
109.10137	6.8
109.10905	0.3
111.04418	0.9
111.08060	4.8
111.11701	0.8
113.05984	1.0
115.03942	0.4
115.05464	0.7
117.07014	0.9
117.09102	0.3
119.04942	0.6
119.08566	7.6
121.06493	0.8
121.10116	4.9
123.08082	1.1
123.11694	3.4
125.05993	0.2
125.09631	0.8
125.13230	0.2
127.03898	1.7
127.07568	0.3
128.06195	0.2
129.05516	0.2
129.06985	4.1
131.08553	4.9
131.09506	0.3
133.06477	0.9
133.10112	5.3
135.08043	0.3
135.11661	0.8
137.09607	0.8
137.13240	1.1
139.07413	0.2
139.11165	0.2
142.07730	1.1
143.08530	0.2
145.04947	1.9
145.10139	0.7
145.12167	0.2
147.04393	0.9
147.08046	0.9
147.11656	7.0
149.09605	2.9
151.11174	0.3
157.10103	6.7
163.05981	2.1
163.11119	0.5
165.12732	1.1
165.16409	0.2
175.11157	7.0
184.07292	0.6
193.12210	19.2
194.12596	0.4
211.13254	20.6
212.13574	0.2
220.63434	0.2
231.17480	0.3
236.88544	0.2
239.23674	1.5
249.14812	0.2
249.18452	1.4
257.24677	1.6
267.15875	12.2
268.16296	0.2
275.20013	0.4
285.16916	33.4
286.17340	0.7
313.27307	65.7
314.27673	2.0
429.21588	0.2
483.38562	0.3
501.39182	1.6
505.38782	16.9
506.38998	0.7
519.40405	1.0
523.39856	100.0
524.40198	4.3
667.43695	0.5
741.14777	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.467
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.8
66.50977	1.5
67.05492	50.0
68.24153	1.4
69.03417	23.1
69.07059	27.8
71.04974	10.7
71.62582	1.6
73.02905	3.4
77.03904	1.7
79.05482	51.6
81.03403	90.1
81.07042	65.4
83.04968	23.7
83.08604	25.2
85.02892	23.3
85.06532	5.2
86.09698	1.6
87.04443	1.8
91.03944	1.9
91.05462	65.7
93.07024	45.3
95.01318	4.4
95.04951	30.6
95.08588	37.7
95.09155	2.9
97.02883	26.9
97.06509	41.9
97.10156	9.5
99.04436	8.1
99.08063	2.3
103.05434	2.2
105.04484	1.9
105.07014	66.9
107.04255	2.6
107.04932	22.6
107.08576	32.4
109.02853	14.2
109.06494	11.3
109.10135	15.2
111.04425	6.6
111.08057	8.3
115.05428	4.2
117.06996	19.9
119.04916	2.4
119.08561	42.6
120.08048	1.7
121.06480	9.1
121.10126	16.6
123.04396	3.1
123.08033	7.6
123.11713	4.0
125.09602	8.4
127.03883	14.3
128.06200	4.5
129.05475	4.7
129.06984	16.0
130.07771	1.6
131.04944	1.8
131.08537	29.2
133.06485	5.7
133.10110	39.7
133.11064	2.8
135.04408	1.9
135.08086	7.8
135.11671	10.3
137.09604	4.9
139.03864	2.0
139.07544	2.1
141.06996	4.8
142.07748	2.5
143.08542	10.3
145.05095	1.5
145.06467	5.7
145.10085	21.6
147.04361	1.7
147.08025	5.6
147.11662	28.9
149.09607	13.2
149.13243	4.7
151.03882	1.8
151.11142	1.8
153.12759	2.6
155.08533	6.2
157.06454	2.0
157.10091	18.5
159.08055	4.0
159.11662	9.4
161.05907	1.7
161.09561	3.2
161.13208	7.5
163.03928	2.3
163.11137	9.6
165.09134	2.9
165.12741	3.9
169.10092	3.7
171.08018	2.4
171.11650	7.0
172.30952	1.4
173.04433	11.8
173.09595	3.4
173.11800	2.3
173.13094	7.0
175.07448	1.9
175.11147	12.2
177.12808	2.7
179.14243	7.4
181.10074	2.9
181.12164	1.8
183.11617	3.7
184.07336	3.0
185.09592	2.5
185.13269	2.3
187.11160	4.2
187.14832	3.3
189.11156	2.5
189.12729	2.0
191.10600	2.0
193.12195	23.0
195.11755	2.4
195.13771	2.1
197.13255	5.1
201.12675	3.0
205.15977	2.1
207.11786	1.5
211.13229	32.2
211.15166	1.8
215.14424	2.0
227.12743	5.9
229.14389	3.1
229.19473	2.4
239.17917	3.7
247.20564	2.8
249.14868	2.9
257.19003	6.3
267.15887	39.2
269.17313	3.3
275.20020	77.7
285.16925	17.8
293.20929	7.4
299.19885	1.6
331.22467	3.5
337.16589	2.4
349.23654	43.2
355.17657	2.7
355.22144	1.6
411.19760	6.9
413.21964	1.8
429.21143	26.4
437.25839	1.8
457.25775	1.9
461.28888	6.5
475.26526	2.4
479.29919	4.8
523.33917	4.2
531.37280	3.4
541.35193	100.0
542.35419	3.4
559.36169	41.2
623.34106	7.1
649.37280	2.8
667.38251	3.4
685.39514	10.7
703.40363	67.3
704.40216	3.8
721.41547	7.7
841.34039	1.9
883.42426	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	882.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.7
67.05494	13.0
69.03419	2.6
69.07054	6.2
71.01347	0.2
71.04978	2.1
71.08620	14.6
73.02907	2.8
73.06566	0.2
79.05479	9.8
81.03406	32.7
81.07044	17.3
81.07417	0.2
83.04971	7.1
83.08604	16.4
85.02891	20.1
85.06533	1.5
85.10170	7.9
85.10695	0.2
87.04466	0.6
89.06018	0.7
91.03383	0.4
91.03944	6.3
91.05463	13.3
92.05786	0.2
93.07027	8.0
95.04955	11.9
95.08589	14.5
95.61500	0.2
96.04492	0.2
97.02876	6.0
97.06518	1.8
97.10155	4.6
98.21552	0.3
99.04437	0.6
99.08072	0.6
99.11699	0.6
101.02355	0.2
101.06033	0.2
103.03941	0.3
103.07578	0.6
105.07011	9.7
106.07394	0.2
107.04944	3.1
107.08578	3.8
109.02863	0.5
109.06503	2.4
109.10138	6.5
111.04442	1.4
111.08061	6.0
111.11683	0.7
113.05325	0.2
113.05954	1.3
113.13251	0.2
115.03909	0.4
115.05428	0.7
117.06998	0.7
117.09092	0.3
119.04907	0.4
119.08564	9.1
121.06503	0.9
121.10121	4.9
123.08072	1.3
123.11693	3.0
125.09605	0.9
127.03891	1.9
127.07563	0.3
129.05513	0.2
129.06985	5.0
131.08551	6.1
133.06476	1.2
133.10109	6.3
133.13451	0.2
135.11668	0.8
137.09619	1.4
137.13254	0.7
141.93710	0.2
142.07764	1.5
145.04929	2.2
145.10081	1.0
146.41507	0.2
147.08075	1.7
147.11664	8.6
149.09605	3.6
151.11234	0.6
151.14806	0.2
152.81439	0.2
157.10098	8.6
163.05997	3.4
163.11122	0.5
165.12744	1.7
165.16267	0.3
169.17165	0.2
173.52730	0.2
175.11157	9.3
181.54349	0.2
183.13750	0.2
184.07257	0.4
193.12207	24.8
194.12512	0.2
211.13258	37.9
212.13684	0.5
213.16374	0.2
221.22554	0.2
229.35826	0.3
239.23726	1.4
249.14801	0.6
249.18509	0.8
257.24716	1.0
267.15869	15.3
268.16122	0.3
285.16913	59.7
286.17212	1.0
298.27167	0.3
313.27307	57.4
314.27780	1.3
429.21259	0.4
483.37933	0.3
501.39343	1.5
505.38831	14.1
506.39203	0.9
519.40143	0.5
523.39862	100.0
524.40186	3.2
667.43958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.7
67.05492	14.9
67.41597	0.2
69.03401	0.9
69.07054	3.0
70.06583	0.4
71.04972	1.2
71.62375	0.4
73.02885	0.4
73.06514	0.5
79.05479	20.9
81.03403	28.2
81.07039	13.3
81.07436	0.2
81.48155	0.3
83.04961	4.2
83.08130	0.5
83.08603	8.5
85.02896	1.8
85.06515	1.0
86.09689	0.4
91.03944	0.7
91.05465	18.6
93.07027	20.8
95.04951	13.3
95.08588	7.9
97.02873	2.0
97.06517	2.1
97.10128	1.6
99.04441	0.3
99.08080	0.7
103.05482	0.4
105.04529	0.4
105.07011	15.0
107.04937	3.5
107.08571	5.7
109.06484	2.8
109.10153	1.7
110.07150	0.4
111.04454	0.7
111.07335	0.4
111.08056	3.3
115.05394	0.4
117.06995	2.4
119.04895	0.5
119.08559	10.4
120.08096	0.6
121.06496	1.7
121.10113	3.6
123.04383	0.7
123.08054	2.1
123.11666	0.5
125.09588	0.8
127.03842	0.5
127.07539	0.5
128.06221	0.8
129.06984	8.5
131.08549	4.4
131.45741	0.3
133.06442	1.3
133.10117	5.0
135.08002	0.7
135.11655	1.0
137.05995	0.4
137.09595	0.7
139.03940	0.4
141.07068	0.4
141.09052	0.4
142.07726	0.9
143.08540	3.1
145.06494	0.4
145.10092	3.2
147.08012	2.0
147.11658	14.5
148.11916	0.3
149.09607	2.0
155.08517	0.4
156.09335	0.4
157.10112	4.1
159.11678	0.5
161.09622	1.5
161.13237	4.2
163.11121	0.9
165.09132	0.3
165.12703	0.9
169.10037	0.5
171.11665	8.4
173.09605	0.4
175.11139	3.5
189.12683	2.9
193.12210	8.6
207.13765	6.9
211.13170	0.5
225.14738	0.4
243.15752	0.3
249.14839	0.8
267.15869	27.8
268.16397	0.6
273.14783	0.4
281.17432	28.9
309.17020	0.5
381.24384	0.4
382.81384	0.3
421.25824	1.0
447.27499	0.9
455.27600	0.9
473.28912	100.0
474.29373	2.6
491.29968	4.0
515.29962	3.8
539.30066	0.4
581.30865	1.2
599.32123	0.5
617.33295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	8.1
65.03909	0.4
67.05493	8.3
69.03417	1.8
69.07058	5.1
70.19687	0.3
70.20084	0.5
71.01308	0.7
71.04979	2.0
71.08620	13.3
73.02901	2.9
73.06538	0.2
79.05477	7.5
81.03405	5.2
81.07044	12.6
83.01326	4.4
83.04968	5.0
83.08604	9.6
85.02888	11.6
85.06488	0.7
85.10165	8.4
87.04426	0.2
89.06018	1.0
90.09306	0.2
91.03941	6.4
91.05463	5.6
93.07024	10.9
95.04954	3.2
95.08587	12.4
96.04473	0.4
97.02295	0.4
97.02879	6.0
97.06505	1.9
97.09608	0.2
97.10158	3.1
98.20828	0.3
99.04438	1.8
99.11681	0.3
100.80753	0.2
101.02343	0.3
103.05396	0.4
103.07542	0.6
105.07007	3.9
107.04279	0.3
107.04937	4.0
107.08577	5.8
109.02839	0.7
109.06505	3.2
109.09451	0.3
109.10140	4.8
111.04431	1.1
111.08067	1.1
111.11711	1.2
115.03882	0.4
117.07008	3.1
117.09067	0.2
119.07791	0.2
119.08562	4.1
121.06487	1.9
121.10132	4.0
123.04442	0.3
123.07164	0.3
123.08041	4.9
123.11691	2.0
125.05934	1.1
125.09549	0.8
127.03899	2.8
129.05531	0.3
129.06961	0.7
130.07742	0.7
131.08530	1.7
133.10098	0.9
133.99011	0.2
135.07993	0.8
135.10678	0.4
135.11671	6.7
137.09552	0.6
137.13191	0.6
139.07501	0.6
139.11156	0.2
143.08498	0.5
145.04932	3.4
145.06244	0.4
145.10100	8.1
147.08031	1.0
147.11646	0.3
149.05856	0.3
149.09555	0.5
151.14795	0.3
153.12675	1.8
155.08553	0.5
163.04692	0.3
163.05975	4.1
163.11151	14.2
164.11462	0.3
173.09622	1.5
180.08635	0.4
181.12184	2.0
184.07286	0.6
191.10576	1.5
209.11681	3.9
221.22675	0.2
227.12766	1.6
239.23590	1.1
257.24722	1.1
283.15344	100.0
284.15659	2.0
298.27258	0.2
313.27304	70.7
314.27646	1.9
322.91537	0.2
521.38293	51.1
522.38605	2.3
708.59900	0.2
778.01904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.5
65.03895	0.9
67.05495	17.1
69.03384	0.7
69.07059	5.4
69.93668	0.2
71.04948	0.9
71.08623	9.4
73.02876	0.7
73.06513	0.9
73.37627	0.2
77.03864	0.4
79.05482	22.6
81.02968	0.3
81.03400	2.9
81.07045	16.8
83.04556	0.4
83.04974	4.3
83.08605	6.0
85.02898	3.5
85.06519	1.2
85.09642	0.2
85.10167	6.1
89.05988	0.7
91.03946	2.1
91.05469	16.8
93.07030	23.2
94.07343	0.3
95.04958	6.7
95.08595	15.4
97.02872	1.9
97.06525	1.4
97.10158	3.1
98.20790	0.8
99.08051	0.3
99.11716	0.4
103.07545	0.3
105.04478	0.4
105.07013	13.3
107.04954	2.0
107.08578	5.6
109.06499	2.1
109.09456	0.3
109.10145	5.4
111.08025	0.7
111.11686	0.3
115.05436	0.3
117.07005	2.5
119.08562	8.9
121.06451	0.9
121.10151	1.3
122.70537	0.3
123.08060	2.2
123.11694	1.6
123.15832	0.2
125.13236	0.3
127.03872	0.6
127.07502	0.5
128.06157	0.7
129.06985	5.5
131.08530	0.8
133.06410	0.6
133.10107	3.6
135.11647	0.8
137.09572	0.3
137.13205	1.0
143.08543	3.5
145.04889	0.9
145.10095	3.2
147.07997	1.0
147.11670	13.8
148.11989	0.2
149.13132	0.2
151.14830	0.3
155.80481	0.2
156.09337	0.3
159.11658	0.3
161.09604	1.5
161.13235	4.3
163.05986	0.6
163.11125	0.4
171.11662	10.0
171.13126	0.5
179.14207	0.3
189.12708	3.6
207.13779	12.4
221.22679	0.5
225.14796	0.5
229.42297	0.4
239.23689	0.8
257.24722	0.9
281.17435	48.4
282.17877	1.3
313.27319	38.3
314.27713	1.4
325.34491	0.2
519.40375	100.0
520.40674	5.4
537.41473	1.0
663.45044	0.3
891.18140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.1
65.03922	0.6
67.05495	16.7
69.03418	0.6
69.07058	5.9
71.04971	0.9
71.08620	13.2
71.63100	0.6
71.63459	0.4
73.02902	0.7
73.06559	0.7
73.76653	0.3
77.03870	0.4
78.51875	0.3
79.05480	20.4
81.03398	2.8
81.07043	18.2
83.04969	4.3
83.08604	6.3
85.02892	2.9
85.06532	1.1
85.10170	6.1
86.82523	0.3
89.05978	0.5
91.03942	1.8
91.05467	14.9
93.07031	19.4
95.04953	6.1
95.08593	15.4
97.02876	1.6
97.06525	1.8
97.10168	3.0
99.08104	0.4
105.07015	11.9
107.04929	2.1
107.08578	4.9
109.06492	2.1
109.10139	5.7
111.08050	0.4
111.11691	0.7
117.07009	2.4
117.09076	0.4
119.08553	7.8
121.06524	0.9
121.10136	1.3
123.08029	2.0
123.11687	1.4
127.03939	0.5
127.07579	0.6
129.06982	5.1
131.08580	0.6
132.20569	0.4
133.10095	3.4
137.09627	0.4
137.13243	0.7
143.08507	2.1
145.04893	0.4
145.10110	2.6
147.08017	1.2
147.11659	11.0
147.12772	0.7
151.14818	0.4
156.09325	0.6
161.09634	1.1
161.13260	3.6
163.05954	0.4
163.11229	0.5
171.11662	7.4
184.07314	0.7
189.12733	3.3
207.13774	6.9
239.23615	1.1
257.24805	0.7
281.17435	30.5
282.17828	1.2
313.27319	36.8
314.27679	1.1
415.67957	0.4
456.43890	0.4
475.81961	0.4
519.40381	100.0
520.40692	6.4
655.49695	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.9
65.03920	0.4
67.05493	10.2
67.27615	0.3
69.03399	1.0
69.06725	0.5
69.07060	6.4
71.04981	1.7
71.08622	13.8
71.32941	0.5
73.02908	1.8
79.05482	10.2
81.03404	2.3
81.07046	13.2
83.01330	1.2
83.04971	2.5
83.08606	10.4
85.02888	5.1
85.06497	0.6
85.10166	9.0
87.04417	0.3
89.05994	0.9
91.03472	0.3
91.03939	3.3
91.05463	3.4
93.07030	14.7
93.85787	0.2
95.04967	3.0
95.08591	24.2
96.08936	0.5
97.02876	4.0
97.06507	1.8
97.10144	3.2
99.04409	2.0
99.08067	0.4
99.11703	0.8
103.07536	0.6
105.04503	0.3
105.07008	3.2
107.04950	4.5
107.08575	12.0
109.06506	1.6
109.10133	6.7
111.04403	0.9
111.08089	0.6
111.11695	0.6
113.05931	0.3
113.51598	0.2
115.92633	0.3
117.07001	3.9
117.63064	0.2
119.07803	0.3
119.08569	4.6
121.06498	2.7
121.10126	6.1
123.08027	1.3
123.11689	1.8
125.05977	1.8
125.83389	0.3
127.03883	1.2
129.06966	0.3
130.07739	0.9
131.08499	0.7
133.10100	1.6
135.08090	1.2
135.11671	24.8
136.12006	0.3
137.09564	0.3
137.13220	1.1
139.07494	1.0
143.08517	0.5
145.04910	1.4
145.10101	13.2
147.08052	0.4
151.14774	0.3
153.12695	0.8
155.08534	0.5
163.06030	1.6
163.11154	35.9
164.11461	0.6
165.16350	0.3
173.09631	0.9
175.11276	0.2
181.12202	6.0
184.07312	0.4
191.10616	0.5
191.93970	0.3
209.11621	1.5
227.12749	35.1
228.13066	1.2
239.23593	1.3
253.14264	0.3
257.24698	1.9
283.15353	87.8
284.15665	2.5
313.27310	83.9
314.27640	3.1
383.97681	0.3
430.77173	0.3
521.38306	100.0
522.38654	7.5
539.39423	0.3
835.58099	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.1
65.03936	3.5
67.05495	100.0
69.03421	9.1
69.07059	37.1
69.57076	6.8
69.57492	2.6
71.01349	1.5
71.04991	7.9
71.05340	1.3
71.07355	2.7
73.02893	1.6
74.02423	2.2
76.45943	1.2
77.03918	1.4
79.05482	57.2
81.03411	11.1
81.07045	89.1
82.07344	1.3
83.04971	11.4
83.08607	22.9
85.02885	5.8
85.06539	5.7
86.09691	19.8
87.04514	1.0
91.05466	48.2
93.07030	62.1
94.07398	1.5
95.04952	12.3
95.08591	38.7
96.95734	1.0
97.02873	3.2
97.06519	17.6
97.10164	15.4
98.21450	2.3
99.04434	2.3
99.08091	3.9
101.06028	1.7
103.05461	1.3
104.10738	3.0
105.07014	45.4
107.04944	11.8
107.08578	52.6
109.02985	1.2
109.06500	9.7
109.10138	50.6
110.10493	1.1
111.04428	2.7
111.08054	8.3
113.09652	1.2
115.05449	2.0
117.06998	18.6
119.08562	35.0
121.06480	9.7
121.10117	21.5
123.04451	1.1
123.08064	4.8
123.11691	7.2
124.99980	11.5
125.09626	13.6
125.86928	1.3
127.03925	2.7
127.07571	1.3
129.05508	1.8
129.06993	7.0
131.08553	26.4
133.06494	2.4
133.10106	29.9
133.11061	2.0
135.08049	6.6
135.11670	18.0
137.09616	7.1
139.11160	1.9
141.06952	3.0
142.07755	1.9
143.08522	6.9
145.06506	2.3
145.10104	20.2
147.08005	1.9
147.11662	20.1
147.12735	1.2
149.09595	15.5
149.13248	14.8
151.11195	3.2
153.09145	1.5
155.08540	3.6
157.10127	8.7
159.08070	1.2
159.11671	17.5
161.09624	1.6
161.13254	6.7
163.11168	11.3
163.14775	2.6
165.12744	1.8
169.10101	5.0
171.10306	1.6
171.11581	5.7
173.04448	2.6
173.09547	2.1
173.11722	9.5
173.13284	6.9
175.11188	3.3
175.14752	1.0
177.12718	6.5
179.14314	2.9
181.10104	1.4
181.12239	1.8
183.11679	4.9
184.07321	65.4
185.13254	3.9
187.11166	3.0
187.14803	2.3
189.11208	6.8
189.12653	1.6
193.12325	1.1
195.12000	1.9
195.13838	7.1
197.13252	3.6
199.14781	1.2
201.12709	1.9
201.16411	1.3
209.13251	1.6
211.13197	1.6
213.16550	1.6
221.13344	1.7
227.12732	19.2
229.14296	30.9
229.19456	2.5
233.15343	1.8
239.17943	4.0
245.13678	2.0
247.20540	4.4
251.16408	2.6
253.17950	1.1
255.15646	6.1
257.19019	13.3
267.15948	2.7
269.17419	38.0
275.20038	56.1
291.19400	1.3
293.17938	1.6
293.21051	8.1
295.72543	1.1
301.21759	1.3
321.24084	1.5
328.25000	1.3
331.22699	5.2
349.23679	51.6
350.23840	1.6
367.24722	14.5
399.23871	1.6
409.25708	8.8
423.27386	28.3
423.32870	2.5
431.28024	1.7
439.27078	1.6
445.29391	4.1
449.28860	12.0
451.31796	3.1
463.30484	30.4
469.32611	1.5
485.32361	1.8
503.33633	26.7
511.34229	1.4
515.37158	1.5
519.33167	2.9
521.34662	6.4
525.35779	8.6
529.35144	5.6
537.34033	1.3
541.34845	1.8
543.36737	60.1
544.36707	1.6
547.36578	2.7
559.35626	1.3
561.37823	17.5
567.31488	3.2
607.34552	2.5
623.43097	16.4
641.44086	14.8
647.37885	1.2
659.45593	1.8
687.40839	1.3
823.96667	1.3
874.51593	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.9
62.79802	0.7
65.03929	3.5
67.05491	82.2
68.05833	0.8
69.03413	7.1
69.07058	26.2
71.01307	0.8
71.04971	6.1
71.07347	2.7
71.32830	1.2
73.02885	1.7
79.05476	48.3
81.03396	8.3
81.07040	64.0
82.07362	1.1
83.04967	10.4
83.08128	1.1
83.08601	16.0
84.08926	0.8
85.02876	4.4
85.06516	3.3
85.12691	0.8
86.09689	31.2
86.10226	1.8
86.49012	0.8
87.04496	0.8
88.36883	0.8
91.05461	48.4
93.07023	51.6
94.07357	1.3
95.04944	11.9
95.08586	35.0
97.02893	3.4
97.06507	11.9
97.10146	9.3
98.98453	3.3
99.04444	1.0
99.08073	3.3
103.05471	1.2
104.10718	2.4
105.04498	1.2
105.07009	45.3
106.07350	0.9
107.04944	7.1
107.08570	34.3
109.06493	7.9
109.10133	38.2
111.04408	1.5
111.08053	5.9
113.09610	0.8
115.05431	2.6
116.06229	1.1
117.06992	16.1
119.06134	0.8
119.08559	36.3
120.08902	1.0
121.06486	4.6
121.10110	17.1
123.08090	3.8
123.11684	4.7
124.99982	19.9
125.09588	7.3
127.03900	1.8
127.11167	0.7
128.06201	2.1
129.05476	1.8
129.06976	7.3
130.07735	1.5
131.08537	23.8
133.06461	2.2
133.10103	30.1
134.10420	0.7
135.08032	4.9
135.11647	12.1
137.09579	5.1
139.11188	2.0
141.06969	1.8
142.07729	1.5
143.08525	8.6
144.09357	0.8
145.04994	1.3
145.06447	1.1
145.10089	19.3
147.08008	2.7
147.11659	18.4
149.09592	9.4
149.13240	9.8
151.11124	2.5
153.06966	0.7
153.09032	1.0
155.08517	5.7
155.10625	1.5
157.10088	8.6
159.08047	1.8
159.11650	18.0
160.44658	0.8
161.09607	1.9
161.13223	10.6
163.11131	5.5
163.14749	1.6
165.09097	0.8
165.12721	1.1
167.08463	1.7
167.10614	0.9
169.10066	6.4
171.11642	8.7
173.09637	1.3
173.11700	8.3
173.13239	8.1
175.11191	1.9
175.14792	2.9
177.12758	4.1
179.14268	2.3
181.10095	2.9
183.11656	3.7
184.07304	100.0
185.07640	1.2
185.13211	4.6
187.11180	1.7
187.13263	1.0
187.14792	3.0
189.09482	0.8
189.11148	4.7
189.12773	2.0
191.14224	1.0
193.10136	0.9
193.12105	0.8
195.11717	1.9
195.13753	4.2
197.13234	4.5
199.11250	0.9
199.14870	3.5
201.12775	1.1
203.14355	0.9
207.11691	1.0
209.13199	2.7
209.15128	0.7
211.14757	2.8
213.12726	1.0
213.14590	0.9
213.16345	1.7
215.17870	0.8
217.15880	0.8
223.14896	0.9
225.16376	0.9
227.12680	10.1
227.17787	0.9
229.14279	23.7
229.19383	1.2
230.14546	1.0
231.21133	1.1
233.15295	1.1
239.17935	3.1
241.19432	5.2
243.15784	1.0
247.20575	1.7
257.18967	7.2
259.20505	17.0
267.15918	1.0
269.17413	21.9
273.18549	2.3
275.20013	28.8
283.20471	0.9
291.19492	2.1
293.17957	1.2
293.20996	4.9
297.21970	0.9
301.21628	1.1
315.23212	2.0
325.21762	0.9
331.22531	2.9
333.24121	13.6
339.23160	1.3
349.23669	16.2
353.24591	0.9
365.23456	1.1
367.24707	9.1
383.24423	0.8
409.26224	0.9
423.27325	15.0
423.32736	1.5
433.30603	1.6
435.32504	1.3
451.32300	1.5
453.33456	1.1
463.30234	5.5
469.32846	1.5
487.34460	3.3
503.33514	5.1
505.35120	7.2
513.35541	2.9
515.37860	1.8
521.34167	1.0
525.35315	2.0
527.37335	8.2
543.36682	11.9
545.38171	2.9
551.40784	1.0
561.37231	3.2
607.43634	5.3
623.42749	1.9
625.44507	9.1
641.43378	1.6
643.45667	1.7
743.91058	0.8
788.43213	1.9
790.48688	0.9
825.70282	0.7
832.81183	0.8
856.50696	1.0
874.51672	1.0
875.47076	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.2
65.03916	1.0
65.78828	0.6
66.29285	0.5
67.05493	47.0
68.05813	1.1
69.03389	1.8
69.07057	13.5
69.23246	0.6
69.53229	3.5
69.53636	1.2
69.97614	0.5
71.01321	2.7
71.04617	0.5
71.04967	3.5
71.08596	0.8
73.02908	2.8
77.03835	0.6
79.05479	39.0
80.05771	1.8
81.03407	5.2
81.07044	36.2
82.07338	0.7
83.04549	0.6
83.04971	7.7
83.08611	5.6
85.02893	9.6
85.06532	3.1
85.06931	0.7
86.09660	1.6
91.03947	5.3
91.04890	0.8
91.05464	22.5
93.07027	47.8
94.07336	1.0
95.04949	6.2
95.08592	23.3
96.08913	0.8
97.02872	4.9
97.05997	0.8
97.06521	9.3
97.10154	7.7
98.20767	1.1
99.04436	1.8
99.08046	1.9
103.05423	0.7
105.07017	11.0
107.04919	1.7
107.08581	34.1
109.06468	2.5
109.09451	1.0
109.10139	14.0
111.08076	3.3
111.11649	0.8
115.05385	0.7
117.06980	7.0
119.08562	12.2
120.08867	0.7
121.06425	1.6
121.09299	1.2
121.10117	15.0
123.08040	1.5
123.11640	2.8
124.99962	1.8
125.09561	1.4
127.03859	2.1
129.06953	1.5
131.08549	6.9
133.10103	7.7
133.72758	0.5
134.10399	1.4
135.08037	1.5
135.11668	46.1
136.11986	0.9
137.09573	2.1
139.11179	0.8
143.08522	1.8
144.06500	0.7
145.04907	2.4
145.09018	1.0
145.10094	11.2
147.11655	4.4
149.13231	5.1
151.11118	1.8
153.12704	2.3
157.10049	0.9
158.10585	0.7
159.11682	4.0
161.13177	2.9
161.32509	0.6
163.05952	2.0
163.11145	5.4
163.14722	1.7
165.12561	0.8
169.10066	0.7
173.13266	3.2
175.14764	1.5
177.16254	0.9
181.12183	9.8
183.11775	0.7
184.07301	6.1
185.13277	0.8
187.14742	1.7
199.13217	1.7
199.14828	0.9
227.12746	0.8
227.19971	1.3
240.65100	0.7
243.21114	3.2
248.69904	0.6
253.14330	3.2
255.15871	100.0
256.16168	2.4
261.22122	11.1
263.83148	0.7
308.39551	0.8
317.24698	2.1
333.85477	0.6
335.25745	44.9
336.26099	1.9
381.26752	0.7
405.31033	0.6
423.32480	2.8
434.37100	0.6
439.18765	0.7
441.33658	1.9
459.34991	1.1
497.36246	1.0
515.37250	81.6
516.37885	4.6
533.38165	4.9
614.83881	0.7
747.39166	0.9
756.89105	0.6
874.44733	2.4
875.46899	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.8
65.03924	5.7
67.05493	100.0
69.03416	12.1
69.07055	77.1
70.80451	3.1
71.01342	1.7
71.04984	9.3
73.02887	2.1
73.06532	1.1
79.05480	73.8
81.03403	17.7
81.07043	95.1
82.93721	0.9
83.04968	15.4
83.08609	19.7
85.02882	9.4
85.06526	5.2
91.03927	1.8
91.05466	72.9
93.07025	75.0
95.01281	1.3
95.04955	19.7
95.08592	56.2
97.02866	9.5
97.06513	30.4
97.10155	16.4
99.04420	2.5
99.08060	5.2
101.05999	1.0
103.05487	2.8
105.07013	56.9
107.04935	16.6
107.08580	47.0
108.50410	1.0
109.02872	2.8
109.06512	10.4
109.10140	39.0
110.10526	0.9
111.04399	3.2
111.08085	8.5
113.06020	1.1
113.09640	2.8
115.05442	3.0
116.06249	1.3
117.06985	23.6
119.04887	1.2
119.08562	41.5
121.06488	7.7
121.10115	23.7
123.04427	1.4
123.08047	8.5
123.11694	5.4
125.09612	16.9
127.03891	4.4
128.06226	3.6
129.05487	4.3
129.06984	11.5
130.07753	2.0
131.08548	31.8
133.06459	4.0
133.10114	35.1
134.10542	0.9
135.08044	7.4
135.11659	18.4
137.05972	1.2
137.09599	16.3
139.11176	2.6
141.06998	4.2
142.07712	1.9
143.08513	9.7
145.04942	1.1
145.06480	3.7
145.10100	27.0
147.06998	1.0
147.08028	5.1
147.11668	18.5
149.09593	34.4
149.13203	9.7
151.11185	5.8
153.07031	1.4
153.09079	3.4
155.08516	4.6
155.10657	2.5
157.08817	1.5
157.10115	8.6
159.08018	2.0
159.11670	22.9
161.09576	4.5
161.13220	10.1
163.11151	14.4
163.14807	1.3
165.09177	1.7
165.12718	1.6
167.08560	2.1
167.10674	1.8
169.10121	7.1
170.55888	1.1
171.10156	2.5
171.11665	9.5
173.04483	2.8
173.09605	1.6
173.11714	10.0
173.13249	9.0
175.11150	5.0
175.14816	1.8
177.12688	6.8
179.14259	7.0
181.10092	2.0
181.12190	1.9
183.11658	7.6
184.07301	3.9
185.09637	1.2
185.13245	3.8
187.11176	4.1
187.14824	3.5
189.09663	1.2
189.11195	7.7
189.12715	1.7
191.14293	2.0
193.10196	1.5
193.12234	2.7
195.11792	1.7
195.13785	6.0
197.13239	5.2
199.13200	2.4
199.14848	2.0
201.12727	1.8
205.12242	1.7
207.13824	2.2
209.13275	1.7
211.13173	1.6
211.14949	1.7
213.16377	1.4
215.17920	1.3
217.15881	1.0
219.13753	1.9
221.15424	1.2
223.13303	2.5
227.12694	14.1
227.14514	1.1
227.17882	1.2
229.14301	13.6
229.19519	2.6
231.17453	1.1
233.15375	1.9
239.17905	4.4
243.15736	1.2
245.13675	1.5
245.19051	1.7
247.20541	3.7
253.14258	1.9
253.18033	3.7
255.15691	6.2
257.18994	10.3
259.20572	1.8
267.15982	3.4
269.14832	1.8
269.17432	19.7
273.18552	4.2
275.20016	53.5
276.20218	2.0
279.15811	1.0
291.19464	9.9
293.21094	3.6
313.21609	2.7
321.24149	2.6
331.22668	3.5
349.23663	57.8
365.23175	6.8
367.24927	2.5
383.24042	2.9
399.23480	0.9
409.25793	4.5
413.21799	1.0
423.27310	9.5
431.27914	1.7
433.30142	1.6
445.29382	3.8
447.31302	2.0
503.33896	4.8
511.34531	1.4
519.33167	1.1
525.35315	2.8
527.37457	5.2
529.35077	6.8
543.28265	1.4
543.36633	22.9
544.37476	1.7
547.36047	1.4
559.35938	1.8
561.37927	1.5
623.42792	11.7
641.44098	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5342
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02632	1.2
61.02917	7.9
63.59034	1.3
65.03925	7.1
67.05495	100.0
69.03421	11.9
69.07057	78.4
70.07374	1.8
71.04984	9.4
71.08611	1.3
73.02898	3.2
73.06536	1.7
74.91222	1.1
77.03884	1.6
79.05482	83.9
80.94183	1.3
81.03412	20.9
81.05025	1.4
81.07044	95.8
82.07352	2.1
83.04971	13.5
83.08608	22.4
85.02884	12.2
85.06533	5.3
86.09681	2.6
91.03935	2.7
91.05466	88.7
93.07031	86.1
94.07352	3.1
95.04961	24.3
95.08594	61.5
96.08920	1.7
97.02886	8.2
97.06522	23.1
97.10135	13.8
98.09691	1.7
99.04435	2.1
99.08067	4.1
103.05441	2.2
105.04510	1.4
105.07014	77.3
106.61647	1.3
107.04948	15.7
107.08586	43.2
109.02884	2.5
109.06503	12.7
109.10140	38.3
111.04485	2.4
111.08062	9.8
113.05952	1.5
113.09580	1.8
115.05452	3.3
117.06999	30.0
119.04836	1.4
119.06025	1.5
119.08566	55.3
120.08875	1.9
121.06510	8.5
121.10128	30.7
123.08075	8.7
123.11658	6.3
125.09615	9.6
127.03891	4.4
128.06181	3.2
129.05455	5.8
129.06990	18.0
130.07759	1.5
131.04910	1.8
131.08553	33.5
132.09285	1.4
133.06462	4.1
133.10115	45.3
134.10463	2.8
135.08073	6.6
135.11667	19.3
137.09601	14.2
139.11133	3.5
141.06978	5.0
142.07788	3.6
143.08542	17.8
144.09187	1.6
145.06424	2.0
145.10100	27.9
147.07994	4.4
147.11667	27.7
149.09619	24.2
149.13245	9.2
150.09938	1.5
151.11139	7.4
153.06915	1.8
153.09048	2.2
155.08524	6.1
157.10129	13.7
159.08070	1.8
159.11659	22.9
161.09560	5.6
161.13240	14.6
162.13857	1.3
163.11169	10.7
163.14783	2.8
165.09090	2.2
165.12727	1.9
167.08577	2.6
168.09259	1.4
169.10107	9.7
171.08051	1.7
171.10162	3.0
171.11667	14.6
173.04437	2.8
173.09570	3.2
173.11711	6.4
173.13243	12.9
175.11176	3.4
175.14793	4.8
177.12717	5.5
179.10696	1.4
179.14275	6.3
181.10062	5.4
181.12193	1.7
183.11662	10.7
184.07294	4.9
185.09558	2.2
185.13242	9.3
187.11089	3.5
187.14781	6.0
189.11188	5.4
189.12709	3.2
191.14246	2.4
193.10263	1.5
193.12096	1.8
195.11667	3.8
195.13821	4.8
197.13211	7.4
199.13182	2.8
199.14841	5.9
201.12674	2.4
203.14383	1.6
205.12114	1.8
207.11717	2.0
209.13245	3.2
211.14830	3.7
213.16312	2.1
215.14279	1.5
215.17886	2.2
223.13057	2.1
223.14970	2.4
225.16248	1.5
227.12747	4.6
229.14204	9.1
229.19423	2.7
231.17464	1.6
235.14725	1.7
237.16226	2.4
239.17882	3.5
241.19417	5.3
245.18901	2.1
247.17039	1.5
247.20578	1.8
253.14305	5.8
253.17851	2.3
254.14546	2.2
257.19031	8.5
259.20566	15.5
269.17365	8.7
273.18420	3.7
275.20032	31.9
277.21768	1.6
291.19492	8.3
292.19952	1.9
293.20975	2.9
297.16971	2.1
301.47812	1.3
313.21741	2.0
315.23169	2.9
321.24219	1.7
331.22610	3.7
333.24231	14.1
335.25723	4.1
339.23099	1.7
348.22513	1.4
349.23672	24.3
351.25140	2.0
365.22964	4.5
373.18549	1.7
377.22879	1.6
383.24390	2.3
421.30917	2.0
423.27072	1.7
431.27835	2.1
439.32211	1.5
447.31305	1.6
469.33078	1.8
487.34042	4.4
495.34280	2.0
513.35748	27.8
515.37213	2.0
527.37335	3.7
529.35046	2.3
543.36591	5.7
607.43274	13.0
608.43640	1.7
608.82996	1.3
623.42706	2.1
625.44678	10.8
641.43719	3.1
872.51514	1.4
873.44104	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	1.7
65.03917	2.8
67.05491	58.6
68.05800	1.3
69.03070	0.9
69.03415	11.3
69.07054	49.4
71.04430	1.3
71.04996	4.2
73.02895	1.4
77.03902	0.9
79.05478	41.0
80.05779	0.8
81.02960	0.9
81.03406	9.5
81.07043	42.9
82.07355	1.1
83.04961	7.7
83.08604	12.3
85.02884	3.0
85.06517	3.3
86.09686	0.9
89.39413	0.6
91.05463	40.6
91.48357	0.6
92.05783	0.9
93.07024	36.9
94.04186	0.8
95.01310	1.7
95.04953	16.6
95.08588	33.2
97.02873	9.6
97.06509	14.5
97.10152	14.0
99.08082	1.2
103.05438	2.1
105.04454	0.8
105.07011	31.0
107.04933	14.1
107.08575	23.6
109.02856	2.0
109.06496	5.3
109.10136	20.2
111.04432	1.1
111.08047	4.5
113.09621	0.8
115.05412	1.7
115.07549	0.8
117.06995	13.7
119.04900	2.5
119.08556	25.2
121.06483	10.6
121.10123	10.7
123.04379	1.6
123.08052	6.0
123.11686	1.8
125.05949	0.7
125.08734	1.0
125.09612	10.6
127.03883	1.9
128.06195	1.7
129.05420	1.9
129.06973	6.6
130.07727	1.3
131.08543	16.5
132.08978	0.8
133.06474	5.2
133.10110	14.3
135.08012	5.8
135.11670	8.2
137.09592	12.8
139.07480	1.0
139.11142	1.0
141.06949	1.9
142.07704	1.2
143.08522	5.3
145.06470	2.6
145.10098	12.3
147.08031	8.1
147.11650	7.5
149.09596	11.7
149.13164	3.8
151.11142	2.8
153.09064	1.8
153.12677	0.7
155.08521	1.8
155.10582	1.1
157.06462	0.6
157.08664	0.9
157.10072	5.0
159.07999	1.8
159.11664	9.4
161.09654	3.8
161.13231	3.7
162.10344	1.9
163.11131	7.5
165.09099	3.2
165.12692	0.8
169.10112	1.9
171.10210	1.4
171.11647	3.9
173.09595	0.8
173.11693	4.9
173.13246	3.4
175.07475	0.8
175.11128	3.4
175.14738	1.1
177.12727	4.1
179.10628	1.0
179.14230	3.1
181.10075	0.8
183.11664	0.8
184.07320	2.1
185.13182	2.0
187.11179	1.8
187.14754	1.6
189.11172	5.9
189.12675	1.4
193.12126	1.6
195.11768	1.0
195.13771	2.2
197.13269	1.8
199.14890	1.2
201.12811	1.2
205.12242	2.2
211.13174	1.5
215.14288	1.1
217.15892	0.6
221.15178	0.8
223.13223	18.5
227.12749	5.7
227.17973	1.4
229.14264	5.1
229.19373	1.6
233.15157	0.9
239.17986	2.0
241.14227	0.8
245.18916	1.6
247.20517	1.3
249.14709	3.1
253.14363	1.9
253.17918	1.6
255.17326	1.4
257.18979	6.3
263.19980	1.1
267.15964	1.0
267.19824	0.7
269.17352	1.2
271.16937	0.7
273.18463	14.3
273.21301	0.5
274.18988	1.1
275.20023	15.6
283.15417	0.7
289.17905	1.5
291.19485	100.0
292.19800	4.2
293.21048	2.2
321.24362	0.7
329.21011	0.9
331.22604	1.4
333.24451	0.9
347.22064	2.3
348.23224	0.9
349.23679	26.6
350.24039	0.9
365.23172	27.8
366.23471	1.8
381.22531	0.8
383.24164	1.1
393.22247	0.7
443.89514	0.8
461.28961	4.4
519.33112	12.6
533.34167	0.7
543.36865	5.2
545.35016	0.7
559.35962	1.9
611.42273	1.0
621.41095	1.3
639.42450	30.6
640.42480	2.3
655.41406	1.1
657.42902	2.1
673.42999	1.2
753.62122	0.8
870.51202	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	2.9
65.03916	4.2
67.05491	100.0
68.05817	1.2
69.03413	10.7
69.07053	63.4
69.99445	4.2
71.01294	1.5
71.04987	8.9
73.02896	2.1
73.06534	1.2
77.03900	1.9
79.05478	63.6
81.03400	16.3
81.07040	96.0
82.07372	1.7
83.04962	14.1
83.08129	1.3
83.08601	14.7
85.02897	5.6
85.06525	7.8
86.09704	1.1
87.04415	1.2
91.05463	89.2
92.05769	1.2
93.07025	66.6
95.04949	19.5
95.08587	47.9
97.02866	4.2
97.06507	23.2
97.10150	7.3
98.20712	1.1
99.04416	1.9
99.08053	4.0
101.05998	0.9
103.05441	3.5
105.04473	1.3
105.07010	73.8
107.04937	19.0
107.08574	51.9
108.08897	1.3
109.02839	2.0
109.06498	14.0
109.10132	67.3
110.10412	1.3
111.04415	2.6
111.08049	8.0
113.05967	2.9
113.09612	1.1
115.03865	1.1
115.05421	2.4
116.04665	1.2
117.06999	20.3
119.04903	2.7
119.08558	35.3
120.08942	1.3
121.06485	12.3
121.10130	14.8
123.04392	3.3
123.08057	7.9
123.11674	9.0
125.09589	8.1
127.03874	3.2
127.07546	3.3
128.06177	3.3
129.05446	3.0
129.06976	9.5
130.07727	2.0
131.04893	1.0
131.08549	27.9
133.06496	6.9
133.10106	81.5
134.10419	2.3
135.08028	11.8
135.11665	12.2
136.12000	0.9
137.05981	1.1
137.09576	20.2
137.10559	1.3
139.07518	1.3
139.11131	1.0
141.06934	2.7
143.08545	10.6
144.09210	1.1
145.06485	2.8
145.10094	20.2
147.08078	5.7
147.11647	12.1
149.09583	28.2
149.13188	4.2
151.11150	34.0
152.11502	1.1
153.09033	2.0
153.12671	1.2
155.08524	4.0
155.10583	2.1
157.08818	1.5
157.10095	9.5
159.08043	3.1
159.11668	12.8
161.09563	9.1
161.13225	6.2
163.07516	1.1
163.11143	13.3
165.09091	2.0
165.12708	1.4
167.08578	1.0
167.10628	1.4
169.10072	4.1
169.12192	7.9
169.16118	1.0
171.10277	2.1
171.11638	6.1
173.09622	2.7
173.11702	4.4
173.13235	5.5
175.11169	6.2
175.12456	1.1
175.14676	1.4
177.09032	2.0
177.12730	3.5
179.10620	3.8
179.14317	4.8
181.10136	1.8
181.12137	1.1
183.11635	3.2
184.07318	4.6
185.13184	3.0
185.60349	0.9
187.11150	3.3
187.13086	1.1
187.14731	2.0
189.11142	2.3
189.12706	3.7
191.14366	1.4
193.12143	1.5
195.13821	2.5
197.11603	1.6
197.13248	2.9
199.14825	2.0
199.34718	0.9
201.12683	1.3
205.12228	2.1
211.14856	1.2
213.12813	1.1
213.16344	1.6
215.12674	4.3
221.13326	1.0
223.13190	2.5
227.12662	5.8
227.17946	2.5
229.14211	5.1
229.19386	1.7
237.16396	1.9
239.17926	1.3
245.19051	4.9
247.20456	3.1
251.12642	1.7
253.14304	97.4
254.14665	1.3
255.17535	1.9
257.19022	7.4
263.19904	4.5
267.15787	1.7
269.17419	1.9
271.15405	4.0
273.18439	26.3
274.18942	1.9
275.20010	32.0
291.19495	24.8
293.21017	3.0
309.20407	1.7
317.98779	1.2
347.22171	8.5
349.23682	34.7
365.23175	29.1
383.24118	3.5
393.23087	1.0
407.24146	2.8
425.25348	2.7
431.27887	4.1
461.28873	3.1
501.31470	1.6
519.33063	11.1
525.34735	1.1
527.33685	4.8
528.37769	1.1
529.35382	1.2
531.48700	1.0
543.37067	6.0
545.34625	17.3
559.36407	1.7
559.66083	1.0
575.35474	1.1
587.35284	1.1
611.42584	1.2
621.41168	3.4
639.42505	24.3
640.42719	1.4
641.43976	1.4
655.42090	1.5
657.43170	2.2
870.51813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	18.2
64.47340	0.4
65.03922	3.2
67.05492	47.6
69.03065	0.8
69.03416	11.3
69.06712	0.8
69.07056	12.3
70.04202	0.7
70.17052	2.3
71.01324	2.0
71.04980	7.2
73.02496	0.6
73.02896	9.6
73.06540	0.6
76.55895	0.4
77.03897	0.7
78.04688	0.6
79.05477	48.3
80.06257	1.7
81.03402	90.6
81.07038	44.6
81.07727	0.6
82.04179	6.1
82.07357	0.5
83.01312	0.8
83.04963	27.4
83.08601	37.6
84.02096	1.2
84.05733	1.1
84.08928	0.8
85.02888	44.2
85.06525	3.7
87.04456	1.5
91.03947	10.1
91.05463	50.0
93.07024	30.5
94.04171	1.1
94.07803	1.5
95.04950	43.1
95.08581	17.1
96.04433	0.7
96.05757	1.0
97.02871	17.0
97.03499	0.9
97.06510	11.8
97.09518	1.0
97.10146	19.2
98.07292	7.0
99.04430	2.8
99.08073	2.8
101.05992	1.0
103.03920	0.8
103.05466	1.1
104.06200	0.6
105.04545	0.8
105.07009	32.8
106.07827	0.6
107.04935	13.8
107.07842	1.1
107.08569	19.3
108.05730	1.1
109.02851	2.1
109.06495	8.9
109.10134	14.6
110.07275	0.8
111.04413	6.5
111.08054	18.4
112.08944	0.5
113.05998	3.6
115.03917	1.3
115.05441	2.0
116.04687	12.6
116.06281	0.4
117.05482	1.0
117.07008	5.8
119.04910	0.9
119.08559	30.1
120.09339	0.5
121.02871	0.8
121.06475	5.1
121.10121	14.4
121.70000	0.5
123.04397	1.5
123.08053	8.2
123.11674	2.2
125.05943	1.4
125.09600	20.2
125.27197	0.5
127.03898	4.2
127.07523	1.6
127.11182	1.6
128.06158	1.2
129.05461	32.4
129.06952	16.9
130.07739	0.8
131.04875	0.9
131.08542	18.8
132.09302	0.7
133.06468	4.1
133.10104	17.5
135.04347	1.3
135.08043	4.5
135.11661	6.0
136.08836	1.2
137.05959	1.0
137.09583	5.5
137.13239	0.7
139.03856	1.1
139.07500	1.5
142.07759	3.4
143.07010	8.0
143.08310	0.7
143.10657	2.1
145.04935	4.0
145.06438	1.5
145.10094	7.9
147.04323	1.4
147.08008	5.3
147.11658	22.2
149.05934	1.0
149.09590	10.3
150.10368	0.5
151.03850	0.7
151.11150	1.1
153.09094	2.5
153.12701	3.6
155.08511	1.0
155.10538	0.7
157.07297	0.4
157.08578	17.1
157.10097	19.6
158.05714	2.6
158.10446	0.7
159.07999	0.7
159.11586	0.6
161.09528	0.9
163.06004	4.2
163.07274	0.8
163.11148	9.7
164.11922	1.2
165.12737	6.1
167.07013	2.1
171.06483	3.5
171.10117	5.4
173.09598	3.0
173.11710	5.4
175.11148	22.4
176.11462	0.5
179.10559	0.5
181.05028	0.9
181.12181	3.9
183.11668	0.9
184.07271	0.8
185.08087	1.8
185.11707	1.4
189.11182	11.5
189.12886	0.7
191.10652	4.0
192.11366	0.6
193.12206	77.0
194.12593	1.6
199.09554	1.7
199.13255	20.1
200.14011	3.5
201.12842	0.7
201.14827	1.5
209.11682	13.4
210.12379	1.5
211.13249	100.0
212.13591	1.7
213.11093	0.6
217.14304	1.1
219.13748	0.9
223.13184	0.6
227.12738	20.6
229.12146	0.4
229.14278	6.1
231.13773	0.9
241.14340	0.6
242.15207	0.7
247.13223	5.9
249.14752	2.3
255.15900	3.7
259.13187	0.5
265.14359	1.5
267.15857	35.8
268.16370	1.5
269.17462	0.6
283.15332	20.0
283.18506	0.8
284.16052	1.8
285.16907	73.0
286.17303	1.6
297.20624	0.6
301.16400	71.0
302.16724	2.0
311.22125	1.1
313.16510	1.1
317.20990	0.7
321.16830	2.7
335.22073	1.2
339.17911	3.9
339.21457	1.0
367.21121	1.1
382.27084	0.5
383.22256	0.8
385.23624	0.6
391.24857	1.1
401.23282	0.6
409.25821	9.4
421.25818	3.3
427.26871	9.4
439.26822	34.6
440.27078	1.0
457.25644	0.8
459.27377	4.9
475.26923	6.5
476.27548	3.6
477.28372	6.3
493.27884	24.0
494.28571	7.9
497.98077	0.5
511.28955	81.0
512.29321	3.3
583.30792	0.5
639.34253	0.6
655.32544	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.5
65.03926	4.6
67.05494	68.4
68.64674	1.4
69.03420	17.7
69.07055	17.8
69.37365	14.0
71.04983	10.5
71.48063	1.4
73.02908	3.3
79.05476	56.5
81.03405	73.0
81.06569	3.3
81.07044	60.4
83.04968	21.8
83.08610	20.7
85.02892	22.1
85.06533	2.6
86.09698	1.7
91.03926	2.3
91.05464	45.1
92.05781	2.2
93.07030	54.8
95.04954	28.3
95.08590	42.2
96.08933	1.6
97.02876	20.3
97.06497	9.0
97.10149	5.9
98.20704	2.5
99.04440	6.7
101.02397	1.8
105.04498	2.5
105.07017	31.7
107.04932	10.1
107.08566	31.2
108.08852	1.5
109.02834	8.1
109.06497	9.8
109.10143	20.5
110.55685	1.4
111.04431	7.8
111.08064	12.5
113.05989	2.6
115.05430	2.9
117.06995	12.1
119.04956	1.6
119.08557	29.5
120.08906	1.5
121.06483	3.0
121.10121	25.2
123.04381	2.7
123.08057	4.4
123.11677	5.8
125.09602	4.8
127.03928	12.0
128.06189	1.5
129.05438	4.4
129.06976	12.9
130.07730	1.7
131.08525	21.3
133.06453	3.9
133.10115	20.7
135.08031	3.4
135.11678	10.9
137.09572	3.4
141.06973	1.7
143.08540	3.8
145.04968	2.1
145.10078	10.7
147.08044	4.4
147.11671	20.9
149.09587	4.7
149.13216	5.5
151.11147	3.5
153.12747	2.3
157.10115	15.4
159.08038	1.6
159.11690	6.9
161.09550	1.4
161.13387	2.6
163.11131	3.4
163.14778	2.0
165.12738	4.7
169.10049	2.1
171.08112	2.2
171.11667	2.9
173.04433	3.9
173.09612	2.1
173.13229	5.1
175.11165	9.0
183.06500	1.7
183.11697	2.5
184.07324	7.6
185.13184	2.9
187.14818	2.1
189.11160	2.7
189.12701	3.2
193.12213	32.0
195.11649	2.3
197.09779	1.5
211.13252	40.0
227.12747	2.5
229.14380	4.6
235.13188	1.7
253.14070	1.6
256.26364	3.9
261.22116	7.3
267.15918	16.5
273.18393	2.1
285.16949	19.9
289.18005	2.1
291.19537	4.7
292.19940	2.9
319.15179	1.5
335.25705	66.3
336.25894	2.4
351.23441	1.5
355.17697	3.5
365.23560	1.8
369.24158	3.4
370.79773	1.4
393.18973	2.0
405.25717	1.9
411.20306	2.1
429.21063	16.6
479.17325	1.6
479.29657	2.7
527.37372	15.8
543.36566	1.5
545.38281	100.0
546.38666	4.0
569.38281	2.0
635.39825	2.1
653.40424	3.0
654.39874	2.6
671.41217	5.7
672.41235	2.8
689.31689	2.6
689.42505	35.0
707.43481	2.6
851.46783	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	3.4
64.21123	1.0
65.03928	4.3
65.32897	1.1
67.05492	58.3
68.05830	1.4
69.03415	16.7
69.07050	16.4
71.04992	5.8
73.02877	2.2
79.05478	51.0
80.05778	1.2
81.03401	68.3
81.07041	60.2
82.03725	1.2
83.04964	16.0
83.08607	19.4
85.02890	18.2
85.06532	3.3
85.21449	1.0
86.09693	2.3
88.07636	1.4
91.03951	2.6
91.05462	40.0
93.07026	53.1
94.07338	1.3
95.04950	23.7
95.08585	36.8
97.02875	16.4
97.06519	6.6
97.10133	6.1
98.20661	1.7
99.04430	5.1
99.08050	1.5
102.09177	1.5
103.03933	1.6
105.07014	31.4
107.04945	9.1
107.08574	28.0
109.02877	9.7
109.06499	6.9
109.10136	17.2
111.04436	8.4
111.08075	9.0
113.05983	1.5
113.59425	1.0
115.05442	2.2
117.07008	12.7
119.04880	2.0
119.08558	24.7
120.08804	1.2
121.06509	5.3
121.10120	24.0
123.04396	1.7
123.08060	4.6
123.11700	4.4
125.09644	5.1
127.03889	8.9
128.06226	1.4
129.05452	3.8
129.06985	9.9
131.04990	1.0
131.08556	16.3
133.06442	3.5
133.10100	18.3
135.08055	3.9
135.11676	12.3
137.05894	1.8
137.09552	2.0
137.13196	1.3
142.07785	1.6
143.08571	3.2
145.05038	1.1
145.06464	2.0
145.10085	9.9
147.07961	5.4
147.11652	16.9
149.09608	4.4
149.13234	3.9
151.11205	1.6
151.12553	1.0
153.12810	1.6
155.08551	2.3
157.10072	10.3
159.08099	2.1
159.11624	8.1
161.09573	2.2
161.13191	3.2
163.11197	3.0
165.12718	3.8
171.11685	3.1
173.04451	3.0
173.05873	1.5
173.09525	2.0
173.13260	3.6
175.11156	11.0
175.14732	1.7
177.12662	1.5
181.12204	1.4
184.07327	6.0
187.14742	2.0
189.11278	2.1
191.10524	1.9
193.12221	31.4
194.12477	1.2
195.11642	1.8
197.09552	1.2
197.13287	1.5
199.14803	1.3
207.11569	1.4
211.13232	40.1
213.16441	1.3
227.12813	4.9
229.12231	1.5
229.14351	4.6
235.13261	1.8
243.21036	1.7
256.26303	5.4
261.22067	8.0
267.15875	16.1
273.18561	2.5
275.20074	2.1
282.82822	1.2
285.16910	20.5
291.19510	3.6
292.19855	1.3
309.16776	1.7
317.24826	1.7
327.18735	1.3
335.25729	63.6
336.26022	2.8
337.16351	2.7
351.22922	1.3
355.17374	3.7
365.23254	2.7
366.23535	1.4
369.24274	2.3
387.25787	1.3
393.19327	2.0
411.19952	3.5
429.21091	18.3
443.28128	2.6
479.29959	1.7
527.37317	15.3
528.37531	1.5
543.36346	1.2
545.38281	100.0
546.38452	6.1
635.39526	1.6
653.39856	3.4
654.40393	1.3
671.41785	6.5
672.41400	3.2
689.42419	39.6
690.42822	3.1
707.42987	2.0
869.58209	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.211
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83363	0.3
65.03938	1.6
67.01865	0.5
67.05493	1.6
68.99770	6.5
69.00114	0.6
69.03447	0.4
70.86823	1.2
76.95686	0.4
77.03941	0.6
79.05475	0.4
81.03407	4.1
83.04974	1.5
85.02890	0.9
89.03907	1.5
91.05476	0.7
93.03394	1.3
95.04962	1.8
99.04445	1.3
103.05466	0.5
105.03365	0.9
106.33949	0.4
107.04935	5.1
109.02856	4.1
111.00780	5.7
111.04420	7.8
115.05436	0.6
117.03379	1.4
117.06994	0.5
119.04935	1.5
121.02853	1.6
123.04407	56.2
124.04771	1.0
125.02350	0.3
127.03892	100.0
128.04237	1.7
129.06966	0.8
131.04922	2.6
131.05753	0.5
135.04388	52.9
136.04738	0.8
137.02316	4.4
137.05894	0.8
139.03876	47.0
140.04230	1.0
141.01773	0.5
141.06978	0.9
141.37135	0.4
143.04871	1.6
145.02823	1.2
145.06451	1.2
147.04382	6.6
149.02324	6.4
149.05959	2.0
150.03128	0.4
151.03871	13.7
153.01804	0.6
153.06921	0.4
155.04846	1.1
157.06491	1.6
159.04396	3.5
161.02354	0.6
161.05954	5.2
163.03873	51.0
164.04269	1.5
165.01820	1.2
165.05452	4.6
166.50468	0.4
167.03358	6.1
169.04938	1.9
169.06473	1.6
173.05930	4.2
175.03874	2.5
177.05435	6.1
179.03362	7.5
179.06929	0.8
181.04945	0.7
181.06467	1.2
183.04367	2.3
185.05968	1.5
187.03830	7.7
187.07452	1.0
189.01794	0.5
189.05438	2.8
191.03354	9.3
191.06982	0.6
193.04967	2.4
197.05956	5.0
199.03976	0.5
199.07454	0.5
200.04765	0.4
201.05426	8.4
203.03357	10.2
203.07007	1.8
204.03775	0.4
205.04901	3.0
207.02794	0.7
207.06474	1.3
209.05991	0.6
211.03903	0.9
213.05363	3.3
215.03400	2.7
215.07024	3.7
217.04906	2.1
219.02902	0.5
219.06462	0.7
221.04375	0.6
223.02289	1.2
225.05429	2.3
227.03389	0.8
227.06935	0.8
229.04916	9.7
230.05405	0.5
231.02824	0.9
231.06483	2.5
233.04398	5.1
235.02376	0.7
237.05368	1.1
239.03374	0.5
241.04865	3.2
243.02815	0.7
243.06493	5.8
244.03621	0.7
245.04411	46.3
246.04715	1.2
247.05975	44.7
248.06328	1.1
249.05458	0.6
251.05357	0.8
253.04860	2.1
255.06554	2.7
257.04401	13.9
258.04990	1.9
259.03320	0.7
259.05984	10.2
259.08713	0.8
260.06601	0.5
261.07571	2.3
263.05435	1.2
265.04904	1.2
267.06433	0.8
269.04419	4.4
269.07336	0.6
270.05096	0.8
271.05954	25.2
272.06320	1.0
273.04019	0.5
273.07379	1.7
274.04752	2.5
275.05426	18.7
279.06500	1.0
281.04468	2.1
283.05933	12.4
285.03830	1.3
285.07452	1.4
286.04755	0.5
287.05429	19.8
288.05676	2.0
289.07007	32.3
290.07260	0.7
291.08582	19.5
292.08859	0.5
295.05954	2.5
297.03891	2.3
297.07455	0.8
299.05441	6.4
300.05475	0.4
301.06989	13.7
303.05255	0.6
303.08533	2.6
305.04425	0.5
307.05988	1.3
309.03952	1.9
309.07251	0.6
311.05472	1.4
313.07001	1.6
317.08057	0.5
319.05887	0.7
321.07571	0.7
323.05414	3.1
325.06839	0.6
327.05072	0.5
329.06439	0.9
331.08182	1.7
333.07373	0.6
335.05212	0.7
337.06949	1.1
341.06363	0.8
345.07330	0.4
347.05377	0.7
349.06824	0.8
351.04910	2.2
361.06897	1.1
363.08685	0.7
365.06430	1.5
367.07852	0.6
375.04553	0.4
376.05960	0.4
377.06339	1.1
379.07965	3.4
383.07520	2.8
389.06726	1.8
391.08066	2.5
393.05945	4.4
395.07651	2.4
396.08389	0.6
397.09082	5.8
401.06369	0.4
403.07758	0.6
405.05762	3.5
406.05893	0.4
407.07541	16.7
408.07690	0.7
409.09122	25.3
410.09268	1.0
411.10730	4.4
417.05542	0.7
419.07495	3.3
421.09125	3.0
423.10754	0.7
425.03076	0.6
425.08521	9.3
426.08893	0.9
427.10178	16.8
428.10425	0.7
431.07660	0.6
433.09100	1.7
435.10880	0.8
437.08609	6.7
439.10284	2.6
449.08450	1.8
451.10278	4.3
453.11731	1.4
469.10992	0.6
517.11206	2.2
527.09869	2.4
529.11078	0.6
535.12311	2.1
541.11078	1.4
543.12463	0.5
545.10736	5.6
557.10443	1.1
559.12109	1.5
561.13281	0.7
571.12012	1.5
577.13361	2.7
579.06042	0.5
579.14941	8.2
580.14655	0.5
589.13116	0.9
679.14117	2.3
697.15295	4.5
699.16583	0.4
715.15656	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02387	0.5
65.03926	2.1
67.01872	0.5
67.05484	1.4
68.99776	8.1
69.21207	0.4
71.61943	0.9
77.03915	1.1
79.05473	1.3
81.03396	3.7
83.04967	1.4
85.02889	2.2
86.03514	1.3
89.03905	2.1
91.05471	1.2
93.03373	1.6
95.04971	2.6
96.94950	0.5
97.02907	0.4
99.04441	1.0
103.05470	1.0
105.03378	1.4
107.04938	6.7
109.02866	4.3
111.00797	7.1
111.04428	11.3
115.05448	1.0
117.03352	0.9
117.07053	0.5
119.04929	3.0
121.02885	2.0
123.04413	73.4
124.04738	1.4
127.03899	100.0
128.04231	1.4
129.06979	0.5
131.04912	3.2
133.06476	0.6
134.81081	0.4
135.04398	68.2
136.04762	1.7
137.02330	6.2
137.05969	1.1
139.03885	61.0
139.80559	0.5
140.04228	0.8
141.06960	1.2
143.04878	2.0
145.00533	0.4
145.02797	1.5
145.06453	1.3
147.04388	10.7
149.02322	6.2
149.05931	2.2
150.03032	0.8
151.03889	19.4
153.01823	0.8
153.05495	1.0
155.03569	0.5
155.04892	1.5
157.06427	1.4
159.04408	4.6
161.02287	0.9
161.05954	5.0
163.03883	67.6
164.04305	1.7
165.01801	1.2
165.05472	5.2
167.03381	5.5
169.04956	2.6
169.06480	2.0
173.02245	0.6
173.05949	5.0
175.03900	4.4
175.07486	0.8
177.04010	0.6
177.05457	7.4
179.03383	10.5
181.04916	2.0
181.06479	1.3
183.04372	2.3
185.05928	2.2
187.03873	8.5
187.07516	0.9
189.01773	0.9
189.05429	3.4
190.02571	0.4
191.03372	11.2
191.06898	0.5
193.04959	3.4
197.05959	5.1
199.03848	0.8
201.05452	9.7
203.03371	16.2
203.07001	1.9
204.03845	0.5
205.04930	4.1
207.02844	1.3
207.06526	1.6
209.06134	0.7
211.03870	0.9
213.05380	4.1
215.03427	3.9
215.06956	4.0
217.04889	3.0
219.06458	1.7
221.04158	0.6
223.02345	2.8
225.05475	3.1
226.06055	0.5
227.03419	1.1
227.06993	1.4
229.04938	12.7
230.05441	0.7
231.02832	0.8
231.06400	3.5
232.03525	0.5
233.04448	5.0
235.02312	0.9
237.05408	1.3
239.03494	0.6
239.06973	1.0
241.04987	3.5
243.02698	1.0
243.06499	6.5
244.03842	0.6
245.04422	58.2
246.04694	2.2
247.05986	54.0
248.06357	1.3
251.05507	1.8
253.04907	4.0
255.06480	3.4
257.01709	0.9
257.04428	18.9
258.05194	2.5
259.05991	14.0
260.06290	0.8
261.07599	4.0
263.05457	1.8
265.04929	1.4
267.06424	1.5
269.04437	5.3
270.05157	0.9
271.05963	29.4
272.06244	0.9
273.04074	0.5
273.07513	2.7
274.04730	2.5
275.05453	18.9
277.04944	0.5
278.11203	0.9
279.06723	0.6
281.04465	3.0
282.04965	0.5
283.05975	10.0
284.06342	1.0
285.03885	1.8
285.07510	1.7
287.05453	25.4
288.05807	1.9
289.07025	42.4
290.07336	0.9
291.08624	21.7
292.12848	1.0
293.04398	1.2
295.06070	4.1
297.03906	2.4
297.07431	1.5
299.05435	7.9
300.05753	0.6
301.07022	15.5
302.07272	0.6
303.05182	0.9
303.08536	2.7
305.07864	0.6
307.05939	1.2
309.03809	2.1
309.07208	0.8
311.05496	3.3
311.08691	0.6
313.07031	4.2
315.05170	0.5
317.08243	0.6
319.05905	1.1
321.07477	0.9
323.05478	2.7
323.08853	0.7
325.07098	0.9
327.05118	0.8
329.06479	1.2
331.08337	2.8
333.07019	0.5
335.05435	0.6
337.07162	0.7
341.06616	0.9
345.07529	0.6
349.06882	0.9
351.04907	4.1
361.06912	1.3
363.04651	0.6
363.08701	1.1
365.06482	2.0
367.07983	1.4
373.06769	1.0
377.06427	1.9
377.15485	0.8
379.08054	4.7
383.07617	3.3
389.06622	2.7
391.08057	2.9
393.05865	5.6
395.07364	2.5
397.09201	5.2
401.06360	1.0
403.08167	1.0
405.05765	3.5
407.07581	17.8
408.07727	1.1
409.09128	29.0
410.09503	1.1
411.10727	4.0
417.05746	0.8
419.07520	4.3
421.09058	3.9
423.10443	1.2
425.08600	11.9
426.08777	1.2
427.10172	22.4
428.10477	1.1
433.09265	3.9
435.10788	1.4
437.08658	8.8
438.09021	0.7
439.10190	3.1
449.08768	2.7
451.10217	8.4
453.11588	1.9
464.21503	0.5
469.11121	1.5
470.12363	0.5
517.11139	4.1
527.09875	3.3
529.11182	1.1
535.12317	2.5
541.11072	1.4
543.12946	0.8
545.10565	8.8
553.10852	1.0
557.10449	1.3
559.11975	2.8
561.13538	0.8
571.12292	2.8
577.13220	4.8
578.13855	0.6
579.14923	9.2
589.13110	1.8
621.16675	0.6
659.60291	0.6
679.13617	2.0
697.15485	6.5
715.16089	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	6.7
65.03925	2.7
67.05495	42.6
69.03406	3.8
69.07057	10.1
70.16780	3.1
70.17192	2.7
70.83276	1.0
71.04966	3.4
73.02900	5.2
73.06541	1.4
74.32652	1.2
77.67365	1.3
79.05479	58.9
81.03405	20.4
81.07044	36.1
82.04176	4.6
83.04978	14.1
83.08595	8.6
85.02888	8.7
85.06499	2.7
91.03934	4.2
91.04883	1.7
91.05465	43.7
93.07030	55.3
95.04958	24.0
95.08584	20.1
97.02878	5.8
97.06522	7.9
97.10152	6.9
97.89217	1.2
98.07294	4.2
99.04435	2.8
99.66853	1.2
101.06001	1.5
105.04479	1.3
105.07014	35.4
107.04947	13.4
107.08574	17.2
109.06496	8.9
109.10124	8.7
111.04401	3.0
111.08049	3.0
115.05434	1.6
116.04684	5.2
117.06979	8.5
119.07772	1.9
119.08563	21.5
121.06487	4.0
121.10111	8.3
123.04442	2.9
123.08025	8.7
125.09604	7.3
127.03895	3.0
127.07523	2.3
128.06186	1.3
129.05475	15.8
129.06963	16.2
131.08557	6.4
133.06487	3.1
133.10110	13.9
135.04396	1.2
135.08008	2.9
135.11674	7.1
137.09558	2.3
139.03847	2.1
143.07001	3.1
143.08540	6.7
145.10080	14.1
147.04370	1.6
147.08012	3.8
147.11662	33.8
149.09601	2.7
151.03830	1.8
153.09056	1.9
153.12732	2.8
157.08557	6.8
157.10016	2.6
159.11644	2.4
161.06053	1.2
161.09599	3.4
161.13217	8.1
163.11168	9.9
165.09081	2.0
171.06519	1.6
171.10246	1.8
171.11649	23.4
173.09619	2.0
173.11707	3.3
173.71394	1.2
175.11143	2.4
181.12166	2.5
184.07307	1.6
189.11177	3.6
189.12712	6.9
191.10617	5.0
193.12190	3.2
194.67212	1.2
199.13260	4.4
200.13943	1.2
207.13745	25.5
209.11739	4.0
211.13179	1.9
225.14796	1.8
227.12737	14.0
229.14336	2.5
255.15790	2.7
263.16379	1.9
265.14328	3.5
267.15884	5.0
281.17413	65.6
283.15298	9.9
301.16400	27.4
321.15564	1.3
335.18558	3.2
405.26221	2.7
423.27234	3.3
435.27350	21.4
445.06207	1.4
471.27280	3.4
472.28281	2.1
473.28967	7.2
489.28336	13.1
490.28802	3.7
507.29456	100.0
508.29535	3.9
789.89594	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.7
67.01859	0.4
67.05456	0.4
68.99775	3.3
71.22777	0.2
71.62310	0.5
74.27157	0.3
77.03947	0.3
79.05467	0.5
80.83757	0.2
81.03400	2.2
85.02910	0.6
89.03909	0.5
91.05473	0.6
93.03375	0.7
95.04951	1.0
97.02908	0.4
99.04424	0.6
103.05451	0.5
105.03364	0.7
107.04953	2.4
109.02858	2.2
111.00809	1.4
111.04419	3.8
115.05447	0.6
117.03323	0.8
119.04916	1.1
121.02847	1.1
123.04407	26.0
123.11678	0.3
127.03893	52.9
128.04248	0.5
129.06993	0.4
131.04922	1.2
135.04390	21.8
137.02315	12.7
137.03340	0.8
137.06023	0.3
139.03876	15.0
141.06921	0.6
143.04915	0.7
145.06459	0.7
147.04396	4.9
149.02318	5.7
149.05930	0.9
150.03035	0.3
151.03877	5.0
153.01773	1.7
153.06902	0.3
155.03369	1.3
155.04901	0.9
157.06468	1.0
159.04372	2.2
161.05927	2.7
163.03877	19.8
165.01778	0.6
165.05421	1.8
167.03380	4.8
169.06421	1.7
171.04402	0.4
172.59773	0.3
173.02301	0.3
173.05925	2.9
175.03838	1.7
175.07484	0.4
177.01801	1.1
177.05411	2.0
179.03375	2.4
181.04968	0.5
181.06454	0.7
183.02940	0.5
183.04329	1.4
185.05998	1.5
187.03809	3.5
187.07515	0.6
189.05408	1.6
191.03360	1.3
193.04907	0.4
197.05960	3.5
199.03899	0.6
201.05414	4.4
203.03371	4.3
203.06978	1.4
205.04985	0.8
211.03844	0.7
213.05447	2.6
215.03423	0.8
215.06960	2.2
217.04924	0.9
219.06517	0.9
225.05380	2.5
227.03450	0.8
227.06897	0.4
229.04897	5.0
230.05623	0.6
231.06444	4.3
233.04424	0.4
237.05374	0.5
239.03246	0.5
241.04874	1.7
242.05794	0.4
243.06490	4.2
245.04407	7.8
247.05972	15.5
253.04904	2.0
255.06447	1.6
257.04388	5.6
258.05206	1.2
259.05957	5.8
261.07529	1.0
263.05124	0.4
265.04889	0.7
267.06500	0.4
269.04398	3.9
270.05093	0.4
271.05963	19.9
272.06326	0.6
273.04041	0.6
273.07449	0.6
275.05429	1.3
281.04419	2.0
282.04950	0.3
283.05963	2.6
285.03897	1.0
286.04645	0.8
287.05444	100.0
288.05838	2.3
289.07019	9.2
291.08554	0.9
293.04465	0.6
295.05768	0.5
297.03992	0.6
297.07523	0.6
299.05450	36.3
300.05972	0.8
301.06937	1.4
303.05011	0.5
307.05984	0.4
309.03860	0.5
311.05490	2.2
319.08215	0.6
323.05490	1.4
323.08810	0.3
327.04959	0.3
329.06503	7.6
333.07462	0.4
335.05524	0.9
337.07175	0.9
339.04922	3.0
348.06271	0.4
349.06894	0.7
351.05011	0.5
356.38449	0.3
361.07089	1.3
365.06540	0.6
373.07452	0.3
377.06296	1.8
379.08005	0.6
381.05759	0.4
389.06479	1.0
389.13596	0.3
393.05774	0.5
395.07343	0.8
397.09225	1.0
405.05829	3.9
407.07541	9.9
409.09238	1.3
411.10513	0.6
417.05942	0.3
419.07428	1.8
421.09088	0.6
423.06622	6.4
425.08582	58.6
426.09027	1.3
431.07581	1.0
433.09470	0.4
435.06949	1.6
437.08588	10.8
449.08536	3.6
451.10181	8.3
467.09665	4.5
479.09799	0.6
525.08136	1.1
533.10474	1.0
541.11127	0.8
543.09143	6.5
545.10706	3.9
555.08588	0.5
557.10718	2.0
559.12292	3.2
561.10132	7.9
569.10706	0.5
573.10046	1.5
575.11780	3.4
577.13251	4.5
587.11688	3.1
677.12494	1.1
695.13745	4.9
697.15417	1.8
713.14789	4.8
865.20007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	1.1
61.02919	4.4
65.03928	0.6
67.05493	6.0
68.66180	0.3
69.03418	2.4
69.07054	3.7
69.35283	2.2
69.35689	0.7
71.01331	0.6
71.04973	0.9
71.07355	1.0
73.02902	3.5
79.05476	4.7
81.03423	2.4
81.07041	6.2
83.04976	0.9
83.08599	0.8
85.02883	3.9
86.09692	7.4
87.04418	0.4
87.10030	0.7
91.03931	2.9
91.05463	4.6
93.07032	4.9
95.04940	1.9
95.08584	3.0
97.02870	3.8
97.06524	1.2
97.10153	0.6
98.98470	0.7
99.04465	1.2
101.02368	1.7
104.10750	0.9
105.07011	3.6
107.04948	0.4
107.08572	2.7
109.02883	0.9
109.06525	1.0
109.10135	1.5
111.08082	0.7
117.07039	1.1
119.08556	2.4
121.06527	0.5
121.10136	1.3
121.76039	0.3
123.08059	0.5
124.99974	5.2
125.00731	0.4
125.09610	0.4
127.03908	1.0
127.94453	0.3
129.07010	0.4
131.08560	1.4
132.16597	0.4
133.10075	1.8
135.11700	1.5
136.06161	1.5
137.04610	0.4
137.09618	0.4
143.08560	0.5
145.10120	1.3
147.11665	1.1
149.09569	0.8
149.13261	0.5
157.10095	0.4
161.13307	0.7
177.07765	0.3
183.11641	0.3
184.07314	24.5
185.07707	3.2
185.11485	0.3
190.82542	0.3
203.05345	0.6
221.11288	0.3
241.06740	0.4
243.08339	3.7
259.07913	0.5
301.09106	0.4
303.19321	0.4
313.09299	0.3
333.20325	4.9
371.52429	0.3
389.23016	1.3
439.19400	2.0
453.20877	2.4
469.20602	1.0
521.17682	0.4
544.27179	0.4
551.28186	14.3
552.27893	0.6
606.99646	0.3
637.30774	0.4
699.45276	1.0
763.43549	0.4
775.43085	0.4
843.50830	0.6
861.49524	100.0
862.49921	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	861.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	1.0
61.02918	4.0
65.03930	0.3
67.05497	5.8
69.03426	2.5
69.07059	2.9
71.01332	0.4
71.04980	0.8
73.02911	2.8
78.11034	0.2
79.05483	4.6
81.03401	2.1
81.07047	6.2
83.04983	0.9
83.08620	1.0
85.02894	3.7
85.06551	0.5
86.09700	3.6
87.10028	0.4
91.03951	2.2
91.05464	4.3
93.07033	4.7
95.04944	1.7
95.08585	2.8
97.02876	3.0
97.06516	1.2
99.04455	1.0
101.02361	2.0
103.03928	0.4
105.07014	3.2
107.04944	0.6
107.08565	3.1
107.09166	0.3
109.02894	0.7
109.06496	0.7
109.10165	1.2
111.08103	0.4
112.13899	0.2
115.03968	0.3
117.07036	1.1
119.08566	1.8
121.06510	0.5
121.10125	1.7
123.08058	0.4
123.11707	0.5
124.99984	2.3
125.09634	0.6
127.03921	1.0
129.07022	0.6
131.08568	1.3
133.10129	1.6
135.08081	0.4
135.11679	1.4
136.06172	0.5
145.04979	0.3
145.10133	0.8
147.11694	1.0
149.09659	0.5
149.13255	0.7
157.10165	0.4
159.11679	0.6
161.13213	0.3
163.11195	0.4
173.13268	0.3
177.12773	0.3
184.07332	10.0
185.04144	0.6
185.07739	1.8
186.07796	0.5
203.05292	0.5
243.08382	3.7
269.17529	0.5
275.20166	0.3
333.20309	4.4
389.22974	1.1
439.19119	1.9
453.20822	3.0
469.20538	1.1
551.28235	14.0
552.28833	0.7
632.48486	0.3
699.45428	0.8
763.42352	0.9
861.49536	100.0
862.49811	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	859.4796
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02921	3.7
64.66885	0.4
65.03938	0.7
67.05498	8.0
68.05811	0.9
69.03413	3.2
69.07061	4.3
70.07401	0.4
70.68011	1.2
71.04995	1.3
73.02899	3.2
75.20709	0.4
79.05479	6.7
80.05822	0.7
81.03413	2.9
81.07044	8.4
82.07391	0.8
83.04973	1.8
83.08605	1.7
85.02889	4.2
85.06532	0.7
86.09706	2.1
91.03951	2.2
91.05470	7.1
92.05836	0.9
93.07037	6.3
94.07359	0.5
95.04964	1.8
95.08599	5.0
96.08968	0.4
97.02856	3.7
97.06519	1.0
97.10177	0.7
98.21342	0.4
99.04412	0.8
101.02396	1.7
103.05392	0.5
105.07009	5.1
106.07338	1.1
107.04955	1.1
107.08576	3.3
109.02883	1.0
109.06525	1.6
109.10166	1.9
111.08084	0.6
115.84618	0.4
117.07008	2.2
119.08549	4.7
120.08918	0.9
121.06542	0.7
121.10111	2.0
123.08047	1.1
123.11710	0.6
125.00018	1.3
125.09637	0.6
127.03854	1.2
129.05557	0.4
129.07019	1.0
131.08559	2.2
132.08971	0.7
133.10118	4.0
134.10472	1.2
135.08060	1.2
135.11690	1.3
142.07719	0.4
143.08540	1.0
145.10143	1.7
146.10458	0.6
147.08072	0.5
147.11696	1.4
149.09601	1.0
149.13266	1.0
151.11188	0.9
152.11583	0.5
157.10110	1.4
159.11716	1.8
160.12018	0.5
161.09642	0.9
161.13309	0.6
163.11197	1.0
171.11723	0.7
173.13338	0.5
175.11218	0.6
177.12770	0.6
184.07298	4.6
185.04254	0.5
189.12781	0.7
189.16403	0.4
193.12238	0.9
195.11694	0.5
243.08344	3.1
275.19989	0.9
276.20377	0.6
301.09036	0.7
301.17563	0.5
313.17755	0.7
315.10696	0.5
331.18759	2.3
332.18674	0.6
333.20337	2.1
349.23889	0.5
369.15054	0.5
389.23010	0.5
397.58936	0.5
439.19397	1.2
451.19412	1.7
453.21088	1.1
469.20313	0.6
515.36432	0.6
531.25641	2.2
549.26752	3.0
551.28247	7.8
609.44183	0.5
623.30524	0.9
651.43866	0.5
761.40820	1.5
773.41046	0.8
803.98779	0.5
841.46796	5.6
859.47876	100.0
860.48230	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	859.478
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	1.3
61.02926	3.6
62.34787	0.6
63.94503	0.7
67.05489	10.4
69.03423	3.5
69.07066	3.9
71.04976	0.7
71.07332	0.8
71.62835	0.7
73.02905	2.9
79.05475	8.6
80.05809	1.2
81.03410	3.5
81.07045	11.0
82.07374	1.1
83.04966	1.8
83.08622	2.1
85.02896	4.2
86.09689	7.0
87.10014	0.9
91.03934	2.0
91.05468	7.4
92.05814	1.0
93.07018	9.9
95.04952	1.9
95.08590	6.3
96.08965	0.8
97.02871	5.0
97.06520	1.8
97.10133	1.3
99.04456	1.1
101.02393	1.1
102.02867	0.8
104.10680	0.9
105.07023	5.9
107.08588	6.9
109.02856	0.8
109.06544	1.9
109.10120	4.2
111.08044	0.9
117.07043	2.1
119.08577	3.5
121.06477	1.1
121.10129	3.9
124.99970	3.8
125.09662	1.6
127.03905	1.7
131.08572	2.4
133.10114	4.5
135.11696	1.3
145.10165	2.2
147.11699	1.2
149.13219	0.8
151.11197	1.1
159.11745	1.4
163.11246	0.9
163.14760	0.7
173.13272	0.9
184.07317	23.6
184.08978	1.1
185.07652	1.8
206.39923	0.6
223.13383	1.0
241.14366	1.9
243.08331	3.0
261.22302	0.8
269.17480	1.4
291.19647	1.4
331.18954	2.1
333.20386	1.6
335.25778	4.0
336.26163	1.7
387.21432	0.8
439.19522	0.9
439.29575	0.6
453.20840	1.1
501.35541	5.4
505.38773	1.2
517.38947	1.8
528.38000	1.0
531.37238	0.7
549.26520	5.8
551.28162	5.7
626.44672	1.3
644.46429	0.8
671.41730	1.0
717.72369	0.7
841.49292	0.9
859.47931	100.0
860.48163	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	858.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07917	0.4
60.08160	5.2
61.02899	0.8
65.03934	1.0
67.05498	16.8
69.03416	0.5
69.07056	5.9
69.27858	0.4
69.59028	0.9
69.59428	2.9
70.06586	0.8
71.04971	1.3
71.07365	2.9
71.08614	0.4
74.21506	0.4
79.05485	12.0
79.40700	0.4
81.03417	1.2
81.07049	15.6
83.04967	1.1
83.08625	4.1
85.02882	1.2
85.06555	1.0
86.09695	30.2
91.03954	0.4
91.05469	12.5
92.05782	0.5
93.06454	0.8
93.07032	13.0
95.04945	2.4
95.08595	10.0
97.06505	2.5
97.10162	2.0
98.20770	0.7
98.98460	3.3
99.08073	0.8
103.05436	0.5
104.10728	3.2
105.07022	12.7
107.04935	1.5
107.08591	9.0
109.06511	1.8
109.10139	7.9
111.08086	1.0
111.11643	0.4
113.09604	0.5
115.05380	0.5
117.06992	4.5
119.07776	0.7
119.08572	9.7
121.06497	1.0
121.10132	5.5
123.08027	0.9
123.11671	1.1
124.99989	18.5
125.09588	1.2
127.03860	0.5
128.06212	0.6
129.05530	0.5
129.06996	3.1
131.07596	0.4
131.08556	6.7
133.10114	8.9
135.08043	1.1
135.11665	4.0
137.09595	1.1
141.06958	1.1
143.01016	0.5
143.08514	2.5
145.10115	7.2
147.08028	0.8
147.11668	7.6
149.09601	1.5
149.13251	3.4
155.08493	1.2
157.10101	3.0
159.11697	4.5
161.13263	4.3
163.03850	0.4
163.11165	1.1
163.14803	0.8
169.10115	1.4
171.11662	3.2
173.11839	0.7
173.13245	2.2
175.11165	0.5
175.14761	1.5
177.12659	0.8
181.10092	1.0
183.11635	1.2
184.07320	100.0
185.07684	2.1
185.13220	2.4
187.14792	1.1
187.58018	0.4
189.11127	0.6
189.12715	0.5
195.11763	0.7
195.13737	0.6
197.13235	1.3
199.14830	1.3
211.14838	0.8
213.16376	0.6
215.17891	0.6
223.14880	0.6
227.12628	0.7
229.14296	2.8
229.19298	0.4
231.21025	0.6
239.18045	0.5
241.19568	3.6
257.18942	1.3
259.20538	9.5
260.21048	0.5
269.17453	3.7
273.18433	1.1
275.20044	4.3
277.21762	0.8
289.21497	0.4
293.21072	1.1
315.23203	1.0
333.24194	10.3
334.24619	0.6
335.25803	0.7
349.23715	2.4
351.25452	0.6
367.24805	3.5
435.32526	0.6
453.33957	0.4
458.64871	0.4
487.34360	1.1
505.35098	2.8
509.36053	0.7
513.35608	1.8
515.37738	0.9
527.37311	11.3
528.37427	0.9
533.39941	0.7
545.38342	2.6
551.40472	0.5
585.28595	1.2
607.34167	0.5
607.43512	6.8
625.44525	7.8
626.44745	0.6
635.39752	0.4
637.89502	0.4
643.44629	0.6
696.44397	0.6
724.45050	1.1
772.43115	0.6
824.49652	0.5
840.51984	1.8
858.50763	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.576
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32130	1.3
61.02906	3.4
65.03922	3.7
67.05491	100.0
69.03420	7.4
69.06712	2.3
69.07056	29.4
71.04977	14.9
73.02897	1.4
75.47842	1.4
77.72764	1.2
79.05480	63.2
79.86636	1.1
81.03403	9.7
81.07043	89.4
83.04979	6.7
83.08607	17.6
85.02883	6.1
85.06518	5.0
86.09690	1.8
91.05466	48.9
93.07026	80.2
95.04948	9.8
95.08588	53.3
96.83244	1.2
97.02868	4.1
97.06509	16.3
97.10143	5.6
98.85204	1.4
99.08068	3.7
105.04533	2.4
105.07011	34.9
105.07735	1.7
107.04919	5.1
107.08575	44.1
109.02857	1.7
109.06515	7.1
109.10133	39.0
110.10497	1.3
111.04431	2.2
111.08049	5.4
115.05424	2.2
115.07504	2.8
116.06164	1.3
117.06998	17.9
119.08554	23.9
121.06474	4.3
121.10125	29.1
123.08039	4.1
123.11688	6.4
125.09621	5.2
127.03919	2.8
129.05458	2.4
129.06984	5.1
131.08556	22.9
133.10114	22.1
135.08028	3.9
135.11658	16.9
137.09563	4.1
137.13220	2.1
141.06972	1.7
143.08521	5.7
145.10110	14.6
147.11671	13.7
149.09550	7.4
149.13226	13.2
151.11169	2.9
153.12773	2.0
155.08534	4.3
155.10645	2.0
157.10068	5.1
159.11668	17.2
161.05853	1.6
161.13214	8.4
163.11153	4.8
163.14737	1.9
169.10057	2.5
171.11633	2.4
173.04498	1.6
173.11679	5.6
173.13225	7.1
175.11192	1.4
175.14851	1.8
177.12788	3.2
179.14288	2.1
183.11671	1.8
184.07271	5.2
185.13243	4.1
187.14810	3.0
189.11165	2.3
195.13728	2.7
197.13258	2.0
199.14886	2.1
201.16357	2.1
203.14268	1.5
219.13750	1.7
227.12704	7.6
229.14316	24.7
229.19458	2.0
243.21039	2.1
247.20551	1.7
257.18918	4.0
259.20459	2.6
261.22086	11.6
267.15869	2.9
269.17349	11.7
275.20026	16.9
293.21033	1.4
317.24622	1.8
331.22736	1.8
333.24011	3.2
335.25735	76.5
336.25961	2.3
339.17795	2.7
349.23709	13.9
375.54712	1.6
381.26266	3.3
413.21893	6.3
424.10190	1.7
437.34134	3.1
489.35675	17.9
503.36783	1.8
507.36545	1.6
508.41089	1.7
511.37860	1.8
515.36902	1.9
529.38770	99.2
530.38922	5.4
561.37830	2.6
569.42078	12.8
609.44965	30.7
610.44666	2.7
627.45837	3.4
637.40399	1.5
641.47455	9.3
655.41180	2.7
673.43268	12.1
691.43866	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	856.5404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	3.3
63.46397	0.5
65.03935	3.9
67.05496	100.0
69.03431	3.3
69.07059	18.0
71.01350	1.6
71.04984	5.2
71.08640	0.7
73.02917	2.7
79.05485	43.5
80.05827	0.6
80.06271	0.8
81.03413	8.6
81.07047	64.8
82.07387	0.7
83.04972	6.7
83.08611	16.7
85.02898	12.1
85.06541	3.1
87.04465	4.4
90.37439	0.5
91.03934	1.8
91.05470	23.2
93.07035	43.3
95.04971	7.9
95.08595	46.0
97.02876	5.0
97.06514	6.2
97.10156	14.9
98.20693	1.0
99.04439	1.4
99.08080	2.0
103.03944	1.2
105.07021	14.2
107.04922	3.3
107.07853	1.0
107.08586	27.1
109.06535	3.2
109.10143	64.3
110.10475	0.8
111.04433	2.1
111.08067	4.3
113.05956	0.6
117.07004	6.4
119.08575	17.3
121.06461	0.9
121.10126	19.5
123.08038	3.3
123.11687	4.9
125.09608	13.7
127.03905	0.7
127.11153	0.6
129.05455	2.1
129.06981	2.2
131.08539	9.6
133.10118	10.7
135.08043	2.0
135.11684	15.7
137.09610	3.6
137.13277	1.4
139.11157	1.2
143.08582	1.0
143.10692	1.6
145.10107	12.1
147.08023	0.9
147.11681	7.4
149.09616	1.7
149.13246	6.7
151.11214	0.9
151.14824	0.8
153.12741	3.1
155.10687	2.8
157.08734	1.1
157.10138	2.2
159.11682	6.3
161.09595	0.6
161.13263	5.1
163.11176	7.5
163.14806	3.4
165.12788	0.9
169.13831	0.6
171.11641	1.3
173.09543	0.9
173.10088	0.7
173.11728	15.0
173.13261	5.0
175.11142	1.0
175.14786	2.1
177.16357	0.8
181.09940	0.6
181.12221	2.3
183.11655	0.6
184.07263	0.8
187.14760	2.6
189.11227	1.4
191.10709	2.4
193.12254	3.3
199.13219	6.5
199.14702	0.7
201.16415	0.7
202.15889	1.7
203.16206	1.0
209.11729	4.8
211.13203	1.3
217.14371	1.3
227.12729	6.1
229.14328	42.6
233.22694	1.0
241.14281	0.5
243.21028	3.9
245.13860	0.9
249.14917	0.7
257.13812	1.5
259.20648	1.2
261.22116	16.1
267.15897	3.6
277.21790	0.6
283.15277	2.9
299.23792	0.6
300.13647	0.8
301.13437	1.2
301.16489	13.4
305.24930	0.6
315.23172	1.0
317.24655	2.4
327.23224	0.8
333.24323	1.0
335.25763	87.6
336.26178	2.7
399.23785	10.8
477.35657	6.8
489.35730	18.6
543.37109	1.3
545.37811	0.8
561.37842	6.9
579.38916	4.1
659.45111	21.0
660.44891	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.2
65.03921	4.2
67.05492	84.1
69.03416	11.8
69.07053	47.8
69.85650	5.3
70.00603	0.8
71.04980	7.2
71.08597	1.6
73.02898	1.3
77.03880	0.9
79.05477	71.7
81.03403	18.7
81.07040	100.0
83.04967	15.8
83.08604	20.4
84.82488	0.9
85.02879	5.2
85.06541	5.8
86.09708	5.1
90.98611	0.9
91.03960	1.6
91.05461	63.9
92.05751	1.2
92.06298	1.0
93.07026	72.7
95.04951	15.5
95.08588	43.0
97.02876	7.1
97.06512	23.0
97.10150	16.9
98.20831	1.1
99.04430	1.7
99.08089	3.8
101.02340	1.2
103.05452	2.5
105.07010	55.0
107.04942	13.5
107.05618	1.4
107.08575	46.7
109.02854	2.8
109.06493	10.3
109.10128	20.0
111.04428	2.1
111.08076	6.2
113.05970	1.0
113.09642	2.2
115.05469	2.9
115.56211	0.9
117.06989	24.4
119.08556	39.0
120.08923	0.8
121.06496	8.2
121.10116	23.8
123.04421	0.9
123.08056	6.9
123.11668	5.3
124.99995	4.2
125.06042	0.9
125.09602	11.3
127.03905	3.8
127.07518	1.1
127.76170	0.9
128.06221	2.4
129.05444	2.9
129.06972	10.6
130.07756	2.5
131.08539	31.0
132.14786	0.8
133.06467	3.1
133.10103	34.3
135.07997	7.6
135.11655	20.0
137.09583	6.8
139.11050	1.6
141.06978	3.7
142.07706	1.9
143.08542	9.9
144.09308	1.2
145.04921	2.0
145.06458	2.7
145.10095	28.5
147.08044	3.6
147.11655	15.6
148.46666	1.1
149.09590	23.1
149.13222	13.8
151.11163	3.5
153.09076	1.3
153.12671	1.1
154.56345	0.9
155.08527	6.9
157.10092	9.8
159.08052	1.9
159.11668	22.4
159.13000	1.2
161.09602	3.3
161.13240	7.6
163.11163	14.3
163.14874	1.0
165.12758	1.9
167.08575	1.5
169.10080	6.5
171.10338	1.7
171.11664	8.2
173.04413	4.3
173.09587	2.4
173.11760	2.3
173.13243	8.6
175.11185	3.0
175.14828	1.7
177.12688	7.4
179.08618	1.5
179.14282	3.2
181.10141	2.3
181.12161	1.9
183.11653	7.0
184.07307	13.1
185.09584	1.2
185.11806	1.0
185.13225	4.8
187.11194	2.8
187.14777	3.4
189.11212	5.6
189.12714	2.0
190.88586	0.9
193.12270	1.1
195.11719	3.1
195.13783	7.8
197.13277	4.9
199.11078	1.2
199.14792	3.1
201.12814	1.4
201.16359	1.8
203.14258	1.1
207.11795	1.4
209.13280	2.5
211.14830	2.2
215.12569	1.1
217.15831	1.5
219.13895	1.2
221.13199	1.1
223.14903	1.1
227.12737	18.6
227.17995	1.4
229.14360	3.4
229.19495	3.7
233.15373	1.2
239.17958	6.2
245.13702	2.2
245.18965	1.2
247.20456	4.4
251.16280	2.0
253.14259	1.6
253.18001	2.3
255.15839	17.9
257.18973	15.6
259.20538	1.4
261.18408	1.1
267.15918	3.6
269.17410	47.1
270.18176	1.1
273.18466	1.6
275.20013	63.0
291.19565	1.7
293.18216	1.0
293.21024	5.5
301.21356	1.2
303.15805	2.3
313.21857	1.7
321.24326	2.2
331.22662	5.3
347.22278	1.3
349.23669	61.4
350.23856	1.8
355.26385	1.7
365.23743	1.2
367.24725	8.6
395.20679	1.1
409.25769	1.3
413.21765	1.9
415.29208	1.0
423.27402	1.9
431.27792	2.9
433.30975	2.2
435.27512	5.1
439.26947	1.0
445.29352	3.9
447.30768	1.3
449.28952	23.6
450.29144	1.2
451.32132	2.5
461.28146	1.1
463.30402	28.5
463.36923	1.9
464.30569	1.2
469.33105	2.1
480.16879	1.0
485.76138	1.0
503.33475	3.4
511.34018	2.2
515.37134	2.1
517.55145	0.9
519.33173	3.1
525.35712	7.2
527.37207	2.2
529.35205	15.2
543.36676	49.5
544.37115	1.6
547.36139	3.3
561.37695	7.8
583.39734	1.5
593.32452	1.3
605.41827	2.5
607.34534	3.0
623.34698	1.1
623.43024	13.4
641.44135	6.2
659.45172	1.2
687.40588	1.3
705.42041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5392
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	3.1
63.50389	1.0
65.03922	4.0
67.05492	79.2
67.07919	1.1
69.03420	9.5
69.07054	35.9
71.01321	1.8
71.04974	8.5
71.33095	2.9
73.02897	1.6
73.86620	1.1
79.05478	68.9
81.03400	17.4
81.07040	100.0
82.07352	1.0
83.04965	14.5
83.08602	19.9
85.02870	6.0
85.06543	5.6
86.09684	3.8
91.05462	52.0
93.07025	69.2
95.04946	13.2
95.08591	39.1
97.02859	5.6
97.06509	20.4
97.10134	11.0
99.04433	3.6
99.08058	5.2
103.05457	1.9
105.04493	1.9
105.07009	47.3
107.04944	9.6
107.08572	49.3
108.32588	1.2
109.02847	2.5
109.06506	9.7
109.10132	18.2
111.04453	2.9
111.08084	7.0
111.66148	1.1
113.09595	2.3
115.05424	3.6
117.06990	24.4
119.04939	1.7
119.08559	35.4
121.06480	8.6
121.10114	24.8
123.08033	6.3
123.11690	3.9
124.99993	3.6
125.09607	8.6
127.03893	3.9
127.83523	1.1
128.06200	2.5
129.05449	2.2
129.06984	8.8
131.04884	1.3
131.08536	27.6
133.06429	2.5
133.10104	34.8
135.08017	7.0
135.11665	23.4
137.09589	4.5
139.11195	2.0
141.06970	3.9
142.07745	1.8
143.08531	9.3
145.06453	3.4
145.10101	22.9
146.10576	1.1
147.08087	1.9
147.11650	20.5
149.09586	18.2
149.13226	18.4
151.11119	4.3
155.08496	6.3
157.10107	8.3
159.08022	1.6
159.11659	19.6
161.09561	1.3
161.13251	6.8
163.11139	12.7
165.12761	1.9
167.08566	1.4
169.10104	5.5
171.10376	1.3
171.11603	5.6
173.04420	4.3
173.09665	1.7
173.13239	8.7
175.11267	3.0
175.14604	1.4
177.12740	6.8
179.14299	4.5
181.10081	2.1
181.12216	3.6
183.11684	5.0
184.07303	11.7
185.09561	1.2
185.13234	4.2
187.11143	1.1
187.14774	2.9
189.11186	3.5
193.12111	1.4
195.11844	2.3
195.13773	9.5
197.13223	5.0
199.14795	1.9
201.12689	1.3
205.12154	1.8
209.13229	1.5
211.14745	2.0
213.14783	1.2
217.15796	1.4
219.13689	1.8
227.12724	10.1
229.14249	2.8
229.19444	2.2
239.17867	4.4
247.20547	3.4
253.14362	2.9
255.15840	19.9
257.18942	14.4
267.15891	4.1
269.17404	56.4
270.17770	1.9
273.18539	1.5
275.20007	44.4
276.20456	2.3
291.19366	1.6
292.19592	1.9
293.21024	3.7
299.20062	1.3
309.20352	1.7
313.21603	1.7
321.24094	1.3
331.22592	3.9
347.22458	1.2
349.23657	45.6
350.23883	2.4
366.23553	1.3
367.24765	8.5
371.17004	1.5
413.21686	3.2
423.27365	1.4
425.25970	1.2
431.27490	2.2
433.30908	1.4
435.27350	4.8
445.29367	2.1
449.28857	31.1
450.29156	2.0
451.32245	2.5
463.30450	42.7
464.30811	3.6
469.33151	1.8
487.31012	1.1
503.33923	1.6
506.46683	1.2
515.36914	1.5
525.35590	8.0
527.36902	1.4
529.35333	9.6
543.36688	49.3
544.36926	2.9
547.36017	2.6
561.37769	10.3
605.41449	1.4
607.34625	3.8
623.42914	7.2
641.43488	4.8
687.40619	2.3
691.39972	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	5.2
61.03176	1.1
65.03927	7.0
67.05494	100.0
69.03422	9.8
69.07059	57.3
69.62512	4.9
69.62935	3.4
70.07394	1.3
71.01326	1.3
71.04986	7.8
71.08632	1.6
73.02896	3.7
75.07858	1.0
79.05479	86.0
80.05795	2.2
81.03400	14.3
81.07043	99.4
82.07375	2.7
83.04968	16.4
83.08605	21.2
85.02876	10.3
85.06524	5.3
86.09687	2.6
91.03949	2.3
91.05466	92.3
92.05790	2.7
93.07029	82.2
94.07359	2.6
95.04957	20.7
95.08591	67.7
96.08919	1.5
97.02876	10.0
97.06512	18.8
97.10158	14.4
99.04468	1.7
99.08074	5.5
103.05457	2.8
105.04554	1.4
105.07014	82.2
106.07322	1.7
107.04951	12.5
107.08574	50.1
108.08916	1.8
109.02840	2.5
109.06497	10.6
109.10136	38.1
111.04427	2.4
111.08066	9.1
113.09615	1.9
115.05450	4.1
116.06217	1.7
117.06198	2.3
117.06999	32.6
119.04918	1.2
119.08561	64.6
120.08894	2.1
121.06465	7.7
121.10123	31.0
123.04390	1.6
123.08058	8.9
123.11696	8.7
125.09605	10.7
127.03897	4.9
127.07574	1.4
128.06204	4.4
129.05460	4.2
129.06981	23.5
130.07779	1.9
131.08546	45.3
133.06453	4.7
133.10109	49.8
134.10429	3.4
135.08029	6.9
135.11667	18.7
137.09587	8.0
137.13257	1.4
139.07503	1.8
139.11099	1.9
141.06960	6.1
142.07710	5.8
143.08546	22.4
144.09273	2.0
145.04924	1.5
145.06471	1.9
145.10106	36.3
145.11255	1.8
147.08060	4.3
147.11658	31.1
149.09605	18.4
149.13226	12.2
151.11166	7.1
153.06856	1.8
153.09044	2.6
154.07730	1.9
155.08549	11.7
156.09282	1.4
157.08820	0.9
157.10094	17.7
159.08052	2.5
159.11665	27.9
161.09628	3.1
161.13235	17.2
163.11171	9.9
163.14787	2.7
165.06955	1.5
165.12788	3.9
167.08514	6.1
168.09254	1.7
169.10095	11.8
171.08040	1.7
171.10211	1.9
171.11641	18.3
173.04459	2.3
173.09575	1.7
173.11714	3.9
173.13240	17.1
175.11128	4.4
175.14813	5.6
177.12721	6.0
179.08524	1.8
179.14325	4.4
181.10101	4.9
183.11678	12.7
184.07341	8.4
185.13249	13.3
187.11151	3.3
187.14777	4.9
188.15387	1.2
189.11224	2.7
189.12741	2.5
191.14203	2.1
193.10138	3.0
195.11664	7.8
195.13739	3.5
197.13246	9.4
199.14804	6.2
201.12657	1.4
201.16460	2.3
202.31607	1.1
203.14204	2.1
207.11679	3.1
209.13274	5.6
211.14793	4.0
213.14569	1.4
213.16383	3.5
215.17838	2.9
217.15926	1.5
219.13788	1.4
221.13286	1.2
223.14793	3.5
225.12886	1.5
225.16289	2.9
227.12683	7.7
227.17973	2.4
229.14241	7.8
229.19455	2.5
231.17310	2.0
233.15404	1.5
235.14789	2.5
237.16336	2.2
239.17909	3.3
241.15927	2.0
241.19496	8.7
245.18951	1.5
247.20528	2.6
253.14256	7.4
254.14693	4.0
255.15732	5.5
257.18948	8.8
259.20496	21.5
267.15872	2.1
269.17334	15.7
271.20648	1.3
273.18460	3.4
273.21957	1.4
275.20026	30.4
276.20416	2.6
277.21512	1.6
283.20407	1.4
291.19553	4.9
292.19720	1.4
293.21249	5.8
297.22076	1.5
301.21518	2.3
311.23355	1.5
313.21646	1.8
315.23203	4.6
325.21558	1.3
331.22546	2.2
333.24194	23.0
335.25958	1.4
339.23074	1.9
347.22208	1.8
349.23691	24.0
350.23892	1.9
355.26291	2.4
365.23264	3.7
367.24802	3.2
377.28180	1.4
421.30951	3.4
431.27979	1.2
435.32410	2.3
449.28561	3.4
453.34161	1.4
463.30585	4.3
469.32983	1.3
481.32059	1.3
487.34018	4.4
495.34836	3.1
501.35779	1.9
509.36313	1.7
513.35669	27.2
515.37964	2.2
525.35760	2.1
527.37341	15.2
528.37830	1.4
529.34949	1.8
531.37329	1.1
532.33063	1.5
543.36670	8.4
545.38257	2.3
546.34283	1.3
547.35126	1.5
560.37701	1.3
561.37195	3.3
597.44971	1.5
607.43451	20.9
608.43536	1.8
623.42859	3.8
625.44684	17.3
641.43732	4.3
679.59869	1.4
793.00452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	3.6
65.03928	4.7
67.05492	84.5
68.05833	2.7
69.03423	8.8
69.07057	36.9
69.40598	8.9
71.01350	2.1
71.04985	8.1
71.08606	1.7
73.02905	2.0
77.03925	1.6
79.05479	71.0
80.05804	1.7
80.53458	0.8
81.03405	15.1
81.07043	100.0
82.07373	1.8
83.04955	16.5
83.08604	17.8
85.02892	8.0
85.06537	5.8
86.09693	2.3
91.05465	79.7
92.05786	3.1
93.07028	79.8
94.07355	2.4
95.04954	18.3
95.08588	50.4
96.08893	1.2
97.02863	8.1
97.06522	17.5
97.10168	6.3
98.98445	1.2
99.04437	3.4
99.08089	5.7
103.03941	1.0
103.05442	3.1
105.04504	2.5
105.07011	69.8
106.07328	2.0
107.04927	8.5
107.08573	49.7
108.08874	2.3
109.02832	2.2
109.06503	11.4
109.10137	23.5
110.10471	1.8
111.04465	1.8
111.08048	7.0
113.05991	0.9
113.09644	1.5
115.05434	4.3
117.06996	25.9
118.07594	0.8
119.08559	51.2
121.06496	5.4
121.10123	25.3
123.04395	1.4
123.08041	7.9
123.11692	6.6
124.99986	2.0
125.06027	1.1
125.09594	6.4
127.03885	4.2
128.06192	2.9
129.05478	3.1
129.06996	15.1
130.07776	1.3
131.08553	33.4
133.06491	3.7
133.10107	46.2
134.10495	2.2
135.08018	7.5
135.10669	1.6
135.11671	24.5
137.09587	3.8
139.11116	2.2
141.06982	4.2
142.07739	2.7
143.08533	13.0
145.06464	3.0
145.10094	27.7
147.08057	2.4
147.11659	27.3
149.09596	14.1
149.13245	14.6
150.09956	1.4
151.11179	5.6
153.06993	1.3
153.12715	1.4
154.07675	1.0
155.08505	7.6
156.09273	1.4
157.10078	12.1
159.08089	2.3
159.11667	25.6
161.09575	2.9
161.13222	14.9
163.11154	8.8
163.14780	1.3
165.12756	2.7
167.08540	2.1
169.10106	7.8
171.11642	12.0
173.04436	2.2
173.09589	1.8
173.13210	13.6
175.11159	3.1
175.14847	4.8
177.12720	6.6
179.08536	1.3
179.14258	4.2
181.10127	2.3
181.12175	2.5
183.11671	6.7
184.07314	9.9
185.13255	8.6
187.11212	1.5
187.13306	1.3
187.14789	4.3
189.11166	1.8
189.12738	1.9
189.14711	0.9
189.16353	1.2
191.14339	1.2
193.10101	1.2
195.11723	3.0
195.13799	7.2
197.09567	1.0
197.11646	0.9
197.13223	4.7
199.14845	5.3
201.12823	1.6
201.16336	1.0
202.15854	5.7
203.14430	1.3
207.11717	1.1
207.13809	1.1
209.13188	3.3
211.14752	2.9
213.12843	1.1
213.14680	1.4
213.16475	1.5
215.18008	1.9
217.15881	1.5
221.15404	1.1
223.14856	2.1
227.12730	3.0
227.17879	1.5
229.14265	2.3
229.19467	2.6
231.21158	1.5
233.15326	1.6
237.16339	1.8
239.17955	3.6
241.19493	7.8
243.15813	1.9
247.20586	3.0
253.14201	8.0
254.14703	4.9
255.15840	10.3
257.19022	7.7
259.20523	18.6
261.22147	2.0
267.15970	3.6
269.17398	28.4
270.17810	1.8
273.18527	2.4
274.18729	1.1
275.17239	1.7
275.20041	23.1
276.20218	1.4
277.21429	1.4
283.20532	1.4
285.16986	1.5
291.19394	4.9
292.19821	1.4
293.21158	2.1
297.21997	1.6
298.53870	1.1
300.13666	4.5
301.21732	1.2
315.23282	2.4
319.40494	1.0
325.21756	1.0
327.23401	1.2
331.22626	1.3
333.24155	17.1
335.25958	2.6
341.24777	1.2
347.22211	2.4
349.23697	15.6
351.24893	1.7
355.26123	1.2
365.23123	3.4
366.23511	1.6
367.24554	2.9
417.31671	1.0
421.30359	1.1
435.32663	1.4
449.28632	4.1
451.32211	1.3
453.33243	1.7
461.28793	1.3
463.30325	8.1
501.35052	1.3
513.35773	7.8
515.37268	2.7
519.11719	1.1
525.35492	1.8
527.37244	17.6
529.35150	2.3
531.36859	1.8
543.36768	7.5
545.38159	3.7
547.34631	1.2
559.36188	1.2
560.36823	1.7
561.37354	6.0
607.43384	6.2
623.42749	1.7
625.44299	5.6
641.43164	2.7
838.50153	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	5.5
65.03919	5.3
67.05490	85.1
69.03402	8.2
69.07048	42.3
71.04979	18.9
71.05287	2.5
71.08565	3.2
73.02909	3.5
73.06544	3.3
79.05475	82.3
81.03395	18.4
81.07036	100.0
83.04947	11.7
83.08609	19.1
85.02863	10.6
85.06508	6.8
86.09687	3.8
91.05459	74.2
93.07022	93.5
95.04948	18.1
95.07981	3.1
95.08579	54.3
97.02857	12.0
97.06514	16.3
97.10154	6.6
99.04415	5.5
99.08049	7.7
105.07002	79.9
107.04909	10.3
107.08566	45.8
109.02840	5.2
109.06483	10.2
109.10141	27.7
111.04442	3.0
111.08096	6.6
113.05978	2.6
113.09624	5.9
113.40605	2.7
115.05406	3.4
117.06986	33.4
119.08554	58.4
121.06462	9.5
121.10117	26.8
123.08038	6.3
123.11643	7.6
124.99918	2.7
125.09593	10.1
127.03889	3.0
128.06194	5.6
129.06947	17.1
130.07709	4.1
131.08548	46.5
133.06418	2.8
133.10091	38.3
135.08006	9.2
135.11659	19.1
137.09537	6.1
141.06917	9.9
142.07719	3.9
143.08507	23.1
145.06393	4.7
145.10097	35.3
147.07976	5.2
147.11667	27.2
149.09615	13.0
149.13237	5.3
151.07524	3.3
151.11107	7.7
153.06868	3.1
155.08513	11.9
157.10095	22.1
159.11649	23.7
161.09573	4.0
161.13190	13.5
163.11130	8.0
163.14728	3.3
165.12750	5.1
167.08507	3.3
169.10091	12.7
171.11650	22.6
173.13179	16.3
175.11093	5.3
175.14746	4.9
177.12720	6.5
179.14226	3.0
181.10033	6.7
183.11670	13.5
184.07278	9.2
185.13225	9.1
187.11209	3.1
187.14828	5.7
189.12770	3.4
191.10617	2.7
195.11647	4.7
195.13736	2.8
197.13164	10.4
199.14738	8.0
201.16319	3.7
203.14153	3.3
209.13191	7.4
213.12726	3.9
213.16411	3.4
225.16281	3.6
227.12582	3.1
229.14305	3.6
231.21025	2.9
241.19441	7.4
253.14107	5.5
253.35506	2.7
257.18887	8.1
259.20599	20.4
269.17313	6.8
271.20728	3.1
273.18451	4.7
275.20126	23.3
280.90958	3.0
291.19489	3.5
313.27390	14.0
315.23083	5.3
333.24121	29.7
335.25827	20.1
349.23636	12.9
365.23450	3.2
397.22049	7.7
416.18103	3.4
435.32370	9.1
454.01639	3.3
487.34378	4.0
509.36325	4.5
513.35675	32.6
515.37909	4.4
525.35675	4.0
527.37177	49.4
529.38531	6.3
533.39655	6.1
559.39484	3.7
577.62085	3.0
607.43372	39.7
623.42358	4.1
625.44421	27.1
635.39044	3.7
639.45142	8.3
657.42908	12.2
689.42603	4.8
778.28467	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.4
65.03925	5.1
67.05490	78.5
68.05827	1.7
69.03417	7.1
69.07056	35.5
71.04984	8.3
71.32659	2.2
73.06516	1.2
77.03894	1.2
79.05478	57.0
81.02965	1.3
81.03407	13.5
81.07040	93.8
82.07381	1.3
83.04966	14.1
83.08608	12.4
83.28179	0.9
85.02877	3.3
85.06528	8.1
86.09690	1.6
91.05463	78.0
93.07024	63.9
95.01302	3.0
95.04951	22.8
95.08586	40.7
96.16795	1.0
97.02876	4.2
97.06516	20.2
97.10166	4.9
99.04446	1.7
99.08043	1.8
99.14210	1.0
103.05432	2.4
105.07009	75.2
106.07349	1.2
107.04932	16.9
107.08571	45.8
109.02841	2.0
109.06502	11.4
109.10132	47.9
111.04371	2.8
111.08058	6.2
113.05977	2.1
113.09630	1.0
115.05446	4.0
117.06989	17.1
119.08556	36.5
121.06475	10.8
121.10117	17.8
123.04419	2.2
123.08042	8.0
123.11681	9.7
124.99977	1.3
125.09601	3.9
127.03862	2.5
127.07485	2.3
128.06183	2.8
129.05434	1.5
129.06985	8.4
130.07796	1.0
131.08545	26.2
133.06409	5.1
133.10103	78.7
134.10448	2.6
135.08032	8.6
135.11674	13.3
137.09572	5.7
141.06989	1.8
142.07724	1.2
143.08549	8.6
145.06461	3.0
145.10106	21.3
147.08026	3.4
147.11642	13.7
149.09584	19.3
149.13231	10.1
151.07494	1.2
151.11143	29.3
155.08560	1.5
157.10120	7.7
159.08006	3.1
159.11661	14.0
161.09581	6.9
161.13202	5.3
163.11150	8.5
165.12721	1.8
167.10623	1.2
169.10104	2.9
169.12209	4.5
171.11653	6.4
173.04387	1.6
173.09583	2.1
173.11772	1.6
173.13231	4.7
175.11198	3.1
175.14777	2.0
177.09084	1.7
177.12679	5.5
179.10657	1.3
179.14256	6.2
181.12221	1.9
183.11656	2.8
184.07283	3.5
184.08826	1.0
185.13153	3.6
187.11099	1.8
187.14844	1.4
189.11198	1.4
189.12682	2.4
191.14273	1.5
195.11600	1.9
195.13797	4.3
197.13272	2.8
199.10986	1.6
199.14890	1.4
204.72566	1.1
215.12726	2.8
219.17426	2.3
223.13290	2.1
227.12685	2.4
227.18108	1.2
229.14197	1.7
229.19284	2.2
239.17921	3.0
241.13983	1.1
245.18874	3.7
251.12733	2.1
253.14304	100.0
254.14618	2.6
255.15491	6.4
257.18839	6.8
263.20071	3.1
267.15771	2.4
269.17398	25.4
271.15369	4.3
273.18445	26.1
275.20013	41.3
276.20343	2.0
291.19479	25.7
292.19586	1.5
293.20941	3.0
309.20578	2.7
331.22620	1.3
335.25980	1.1
347.22128	10.3
349.23663	26.4
365.23157	30.4
366.23550	2.5
367.24689	4.0
413.21591	1.9
437.22693	1.1
447.27640	6.1
451.26752	4.2
463.26852	2.4
465.22238	1.7
465.28363	16.4
503.33737	6.0
517.35181	2.0
523.33594	1.2
527.33337	2.3
541.35309	8.0
545.34613	23.5
546.34674	1.9
559.36188	57.0
560.36450	2.2
577.37073	1.8
609.32507	1.9
621.40955	3.3
623.43036	11.6
639.42432	11.5
640.42505	1.2
657.43542	7.0
703.40906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	1.4
65.03925	5.1
67.05490	78.5
68.05827	1.7
69.03417	7.1
69.07056	35.5
71.04984	8.3
71.32659	2.2
73.06516	1.2
77.03894	1.2
79.05478	57.0
81.02965	1.3
81.03407	13.5
81.07040	93.8
82.07381	1.3
83.04966	14.1
83.08608	12.4
83.28179	0.9
85.02877	3.3
85.06528	8.1
86.09690	1.6
91.05463	78.0
93.07024	63.9
95.01302	3.0
95.04951	22.8
95.08586	40.7
96.16795	1.0
97.02876	4.2
97.06516	20.2
97.10166	4.9
99.04446	1.7
99.08043	1.8
99.14210	1.0
103.05432	2.4
105.07009	75.2
106.07349	1.2
107.04932	16.9
107.08571	45.8
109.02841	2.0
109.06502	11.4
109.10132	47.9
111.04371	2.8
111.08058	6.2
113.05977	2.1
113.09630	1.0
115.05446	4.0
117.06989	17.1
119.08556	36.5
121.06475	10.8
121.10117	17.8
123.04419	2.2
123.08042	8.0
123.11681	9.7
124.99977	1.3
125.09601	3.9
127.03862	2.5
127.07485	2.3
128.06183	2.8
129.05434	1.5
129.06985	8.4
130.07796	1.0
131.08545	26.2
133.06409	5.1
133.10103	78.7
134.10448	2.6
135.08032	8.6
135.11674	13.3
137.09572	5.7
141.06989	1.8
142.07724	1.2
143.08549	8.6
145.06461	3.0
145.10106	21.3
147.08026	3.4
147.11642	13.7
149.09584	19.3
149.13231	10.1
151.07494	1.2
151.11143	29.3
155.08560	1.5
157.10120	7.7
159.08006	3.1
159.11661	14.0
161.09581	6.9
161.13202	5.3
163.11150	8.5
165.12721	1.8
167.10623	1.2
169.10104	2.9
169.12209	4.5
171.11653	6.4
173.04387	1.6
173.09583	2.1
173.11772	1.6
173.13231	4.7
175.11198	3.1
175.14777	2.0
177.09084	1.7
177.12679	5.5
179.10657	1.3
179.14256	6.2
181.12221	1.9
183.11656	2.8
184.07283	3.5
184.08826	1.0
185.13153	3.6
187.11099	1.8
187.14844	1.4
189.11198	1.4
189.12682	2.4
191.14273	1.5
195.11600	1.9
195.13797	4.3
197.13272	2.8
199.10986	1.6
199.14890	1.4
204.72566	1.1
215.12726	2.8
219.17426	2.3
223.13290	2.1
227.12685	2.4
227.18108	1.2
229.14197	1.7
229.19284	2.2
239.17921	3.0
241.13983	1.1
245.18874	3.7
251.12733	2.1
253.14304	100.0
254.14618	2.6
255.15491	6.4
257.18839	6.8
263.20071	3.1
267.15771	2.4
269.17398	25.4
271.15369	4.3
273.18445	26.1
275.20013	41.3
276.20343	2.0
291.19479	25.7
292.19586	1.5
293.20941	3.0
309.20578	2.7
331.22620	1.3
335.25980	1.1
347.22128	10.3
349.23663	26.4
365.23157	30.4
366.23550	2.5
367.24689	4.0
413.21591	1.9
437.22693	1.1
447.27640	6.1
451.26752	4.2
463.26852	2.4
465.22238	1.7
465.28363	16.4
503.33737	6.0
517.35181	2.0
523.33594	1.2
527.33337	2.3
541.35309	8.0
545.34613	23.5
546.34674	1.9
559.36188	57.0
560.36450	2.2
577.37073	1.8
609.32507	1.9
621.40955	3.3
623.43036	11.6
639.42432	11.5
640.42505	1.2
657.43542	7.0
703.40906	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02882	1.2
65.03938	3.8
65.04233	1.0
67.05494	62.9
67.05840	1.9
69.03419	11.8
69.07057	40.9
70.07356	0.7
70.68179	1.4
70.68551	1.4
71.01306	1.2
71.04382	0.6
71.05002	5.2
71.08599	0.6
73.02906	0.9
77.03849	1.2
79.05479	47.2
80.05791	0.8
80.06235	0.6
81.03407	12.4
81.07044	70.9
82.07332	1.3
83.04969	12.5
83.08146	0.9
83.08598	14.4
85.02898	3.9
85.06525	4.3
86.09642	1.7
87.38168	0.6
91.05465	46.8
92.05802	0.7
93.07028	51.2
94.07302	0.7
95.01293	1.0
95.04954	18.7
95.08592	29.4
97.02873	10.5
97.06512	13.3
97.09542	0.9
97.10148	15.2
99.04404	1.3
99.08039	2.3
103.05418	1.6
105.07014	38.6
107.04286	1.0
107.04940	13.2
107.08576	36.7
108.05692	0.9
109.02816	2.1
109.05898	0.6
109.06506	7.3
109.10143	23.5
111.04378	1.7
111.08055	6.6
111.11684	0.6
113.05995	0.9
113.09594	1.3
115.05393	2.8
116.06220	0.8
117.06218	1.0
117.06997	16.5
119.04867	1.8
119.08562	24.0
121.06498	8.8
121.09303	1.0
121.10120	15.5
123.04370	1.8
123.08054	7.2
123.11706	4.8
124.99916	0.9
125.05946	0.8
125.08767	0.6
125.09613	10.6
127.03864	2.3
127.07516	0.9
128.06152	2.1
129.05452	1.0
129.06975	6.3
130.07713	1.2
131.04839	0.8
131.08549	18.5
131.92470	0.7
133.06473	5.2
133.10106	31.6
134.07153	1.4
134.10439	1.0
135.08026	8.6
135.10667	0.8
135.11661	11.8
137.09604	5.0
139.07512	1.1
141.06937	2.5
142.07718	1.9
143.08554	5.9
145.06436	2.4
145.09030	1.0
145.10094	14.9
147.04398	0.8
147.08022	7.4
147.11658	10.0
149.09610	9.6
149.13229	11.0
151.11153	10.0
153.09052	1.7
155.08543	2.9
157.10104	6.5
159.08070	1.4
159.11667	12.8
161.09583	5.5
161.13199	2.7
162.10318	1.0
163.11160	7.5
165.09038	2.3
165.12732	1.4
167.08482	0.8
169.10065	2.5
169.12180	2.2
171.10294	1.1
171.11639	4.7
173.04451	1.0
173.09534	1.3
173.11809	0.8
173.13216	3.5
175.11115	3.3
175.14799	1.2
177.09071	1.3
177.12735	3.8
179.10617	1.2
179.14276	1.4
181.10081	0.8
181.12172	1.4
183.11649	1.9
184.07336	4.4
185.09523	1.1
185.13156	2.7
187.11148	2.3
189.11156	4.7
189.12703	2.1
189.16270	0.7
191.14261	1.1
193.12244	1.1
195.11781	1.1
195.13742	5.2
197.13213	1.6
199.11073	0.8
199.14706	1.3
203.14166	0.8
205.12140	2.0
207.11525	0.6
211.14751	0.8
211.53688	0.6
213.12770	1.0
213.14717	1.4
215.12700	1.1
217.15784	0.8
219.13858	0.6
223.11127	0.9
223.13251	16.3
225.05103	0.6
227.12758	7.9
227.17978	1.5
229.19418	1.4
231.17360	0.9
233.15240	1.7
235.16985	0.8
239.17967	2.0
245.13672	0.7
245.18927	3.0
247.20468	0.9
249.14796	4.0
253.14317	23.1
254.14606	1.4
255.15706	8.2
257.18900	6.2
263.19989	1.6
267.15887	2.5
269.17429	28.4
270.17786	1.3
271.15277	1.2
273.18457	22.0
275.20016	21.1
276.20370	1.1
283.15353	0.7
291.19489	100.0
292.19977	4.9
293.20984	1.8
297.16959	1.2
297.22156	0.7
309.20425	1.7
313.27637	0.6
315.22916	0.9
321.24319	1.3
329.21237	0.9
331.22549	1.2
347.22037	8.7
349.23672	17.3
350.24072	1.2
365.23175	55.3
366.23480	3.0
366.35690	0.8
367.24646	3.0
413.21494	2.1
447.27423	1.9
461.28809	1.8
465.28406	1.8
467.31708	1.3
479.30002	1.5
485.32486	0.8
527.33325	1.9
535.32855	0.8
541.35083	6.4
545.34625	21.3
546.35101	1.6
559.36212	86.6
560.36536	6.3
599.39063	1.1
621.41309	3.3
639.42389	20.0
640.42853	2.3
657.43292	5.3
679.36523	0.7
703.40582	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02894	1.7
61.14434	0.5
65.03934	2.9
67.05495	47.5
69.03064	0.9
69.03418	12.7
69.07058	40.2
71.01343	0.8
71.05016	4.4
71.08623	0.9
73.02912	0.6
77.01810	0.5
79.05482	43.2
81.03408	8.5
81.07044	49.5
82.07376	0.6
83.04971	9.4
83.08136	0.8
83.08609	13.8
85.02898	2.8
85.06536	3.2
91.05467	38.0
92.05767	0.6
93.07031	40.4
94.07331	0.7
95.01318	0.7
95.04951	12.7
95.08594	22.4
97.02884	10.6
97.06521	12.5
97.09523	0.9
97.10152	17.6
99.04428	1.7
99.08069	2.3
101.09665	0.5
103.05430	1.0
105.03368	0.7
105.04497	0.7
105.07016	29.0
107.04942	11.1
107.08582	30.0
109.02838	1.3
109.06503	6.5
109.10141	14.3
111.04409	1.4
111.08098	3.3
113.09603	0.9
115.05430	1.7
116.06159	0.6
117.07013	14.8
118.07262	0.6
119.04903	1.6
119.08572	23.1
120.05686	0.9
121.06486	7.1
121.10122	10.9
123.04416	1.1
123.08051	6.2
123.11700	2.1
125.09618	12.6
127.03892	2.0
128.06187	2.3
129.05463	1.3
129.06976	6.4
130.07747	1.4
131.08551	16.3
133.06467	3.9
133.10115	20.0
134.07291	0.9
135.08040	5.2
135.11667	9.0
137.05942	0.8
137.09557	3.7
139.07567	0.6
139.11105	0.7
141.06970	2.0
142.07742	0.7
143.08565	5.8
145.05002	0.7
145.06468	1.4
145.09027	1.0
145.10106	14.7
147.08037	6.3
147.11674	7.9
149.09607	11.2
149.13252	6.7
151.07463	0.6
151.11166	4.5
153.09068	1.9
155.08542	1.4
157.10133	3.7
159.08032	1.2
159.11676	9.0
161.09659	3.0
161.13228	2.4
162.10255	0.8
163.11182	7.6
165.09082	1.6
165.12694	1.1
167.08455	0.6
168.09306	0.6
169.10106	2.7
169.12210	1.3
171.10243	1.2
171.11664	4.0
173.04358	1.2
173.09578	0.7
173.11749	1.0
173.13229	4.3
175.11183	3.5
175.14915	0.7
177.12703	4.0
179.14275	2.1
181.10138	0.7
181.12082	0.6
183.11653	1.8
184.07324	0.5
185.13263	1.8
187.11189	1.6
187.14812	1.2
189.11171	7.7
189.12685	0.8
193.12224	1.5
195.12042	0.7
195.13800	4.1
197.13232	1.5
199.11327	0.6
199.14833	1.0
201.12663	1.0
201.16339	0.6
203.14417	0.7
205.12189	1.8
207.13776	0.6
209.13199	0.8
211.13179	0.8
213.12936	0.7
213.14737	0.7
215.17891	0.8
217.15952	0.8
219.13783	0.7
223.13252	17.4
227.12752	12.8
229.16032	0.7
229.19420	1.3
229.36266	0.6
239.17935	2.2
245.13858	0.7
245.18976	0.9
247.20638	1.3
249.14835	3.3
251.16376	1.2
253.14259	5.1
255.15700	6.1
257.18985	7.3
261.14893	1.0
263.20129	1.5
267.15701	2.5
269.17447	16.8
270.17703	0.8
273.18469	15.9
275.20013	24.6
281.16788	0.6
291.19504	100.0
292.19897	3.5
293.17755	1.1
293.21103	2.0
297.21811	0.6
309.20636	1.6
321.24197	1.0
331.22769	1.8
347.22174	3.4
349.23676	23.6
365.23175	48.8
366.23511	1.7
367.24780	2.2
389.23035	0.5
413.21759	1.2
423.23636	1.1
447.27316	0.8
461.29056	1.8
479.30157	0.8
519.32721	1.8
527.33575	2.2
535.32465	2.0
541.06293	0.5
541.35052	3.7
543.36322	1.6
545.34662	17.4
546.35248	0.6
547.37817	0.7
557.34552	0.7
559.36224	50.5
560.36627	3.3
583.36462	0.6
599.39349	1.6
621.41370	3.3
639.42450	30.7
640.42560	2.3
657.43555	4.8
661.34552	0.6
703.40460	1.1
741.50659	0.6
741.64331	0.6
752.73920	0.6
801.46655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.524
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	3.0
65.03931	5.4
67.05495	90.2
68.05808	1.2
69.03427	9.8
69.07059	31.4
70.57323	1.0
70.57675	3.3
71.04993	7.6
73.02898	2.7
77.03897	1.0
79.05482	70.7
80.05815	1.5
81.03413	13.5
81.07047	93.5
82.07378	1.4
83.04971	16.3
83.08606	13.7
85.02889	6.4
85.06536	8.2
86.09674	2.1
90.59492	1.0
91.05467	100.0
92.05773	1.9
93.07030	73.8
95.04961	20.3
95.08591	42.1
95.09041	0.7
95.09216	1.1
97.02879	5.9
97.06519	13.4
97.10139	5.5
98.09718	1.7
99.04428	3.8
99.08073	3.9
99.09786	0.9
101.05971	1.1
103.05458	3.2
105.04523	1.6
105.07014	89.6
107.04942	12.2
107.08578	55.6
109.02846	1.0
109.06509	13.4
109.10138	53.8
111.04472	2.0
111.08060	7.4
113.05978	1.7
115.05429	3.9
116.06223	1.6
117.06996	20.4
119.08563	42.0
121.06478	9.3
121.10120	18.7
123.04370	2.0
123.08058	6.9
123.11684	11.5
125.05951	1.1
125.09589	2.7
127.03873	3.1
127.07528	1.7
128.06198	4.3
129.05453	2.8
129.06993	16.9
130.07758	2.0
131.08551	29.7
133.06470	5.6
133.10110	96.5
134.10490	2.4
135.08026	10.6
135.11670	15.0
137.05846	1.2
137.09587	6.3
139.07510	1.8
139.11151	1.1
141.06960	3.2
142.07777	2.9
143.08554	12.6
145.06438	2.4
145.09023	1.7
145.10104	26.2
147.08051	5.2
147.11670	25.8
149.09601	10.2
149.13232	9.7
151.09943	1.8
151.11162	35.2
153.06940	0.9
153.12703	1.7
154.07657	1.0
155.08531	4.7
156.09308	1.0
157.10103	10.6
159.08034	2.7
159.11668	18.9
159.12967	1.0
161.09637	8.2
161.13232	13.3
163.09906	1.7
163.11162	7.5
163.14828	1.5
165.12726	1.2
167.08540	1.5
169.10101	5.1
169.12155	7.6
171.11653	12.1
173.09605	2.6
173.13214	9.2
175.09799	1.2
175.11163	4.1
175.14847	3.5
177.09085	2.4
177.12732	3.9
179.10620	3.5
179.14241	3.5
181.10173	1.0
181.12148	1.5
183.11650	3.9
184.07306	6.0
184.27061	1.0
185.09578	1.4
185.13217	8.3
187.11166	2.2
187.14806	3.6
189.12766	2.6
193.10046	1.1
195.11794	2.0
195.13786	2.6
197.13239	3.0
199.11194	1.6
199.14877	3.8
201.12717	1.3
201.16345	1.7
201.49994	1.0
203.14349	1.1
209.13190	2.7
211.14833	1.4
213.12709	1.7
213.16403	2.3
215.12762	3.1
215.17870	1.6
217.15892	1.6
219.13875	1.1
223.14819	1.2
227.12593	1.3
227.17938	2.1
229.19617	1.4
231.17397	1.6
231.21075	2.1
237.16405	2.1
239.17906	2.6
241.19507	9.9
245.18938	3.8
247.20528	1.2
253.14320	96.5
254.14671	2.8
255.17471	2.3
257.18970	5.5
259.20541	26.5
260.20935	1.2
263.20096	2.0
267.15851	1.5
269.17432	6.4
271.15408	2.9
273.18484	18.6
275.20038	14.4
291.19482	18.9
309.20792	1.2
313.21530	1.2
315.23148	3.1
333.17889	1.1
333.24231	26.2
335.25720	3.7
347.22159	4.7
349.23785	7.5
350.09021	1.1
353.28372	1.1
365.23187	23.9
366.23898	1.3
399.29755	1.0
437.30371	1.3
447.27106	4.2
455.31253	1.3
465.28503	4.1
487.34201	1.0
501.35602	1.7
511.34140	8.2
513.36694	2.6
529.35205	13.3
531.38068	2.3
541.35498	2.6
545.34650	3.4
559.36206	12.8
571.35992	1.8
605.41565	3.1
607.43036	1.6
621.41669	1.3
623.42993	24.3
624.43506	2.1
639.42279	3.4
641.43719	3.5
692.03717	1.1
774.05377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45560	0.6
61.02916	15.8
65.03927	3.3
67.05491	82.4
68.05827	1.0
69.03414	4.7
69.06711	1.2
69.07056	16.5
70.06571	0.7
71.01320	1.4
71.04982	8.5
73.02901	6.7
79.05477	33.5
81.03403	15.8
81.07040	62.3
83.01314	1.2
83.04966	11.3
83.08601	19.6
85.02886	27.9
85.06528	6.0
86.09721	0.7
87.04463	4.7
91.03935	13.9
91.05462	25.5
93.07024	37.7
94.07361	1.2
95.04945	8.8
95.08588	22.9
96.04483	0.7
97.02873	14.2
97.06513	11.3
97.10155	13.0
99.04431	2.5
99.08064	1.9
101.02380	0.7
101.06015	0.9
103.03912	1.9
105.04524	0.9
105.07005	11.7
107.04926	5.2
107.08571	32.1
109.02849	2.0
109.06479	3.7
109.10134	51.1
110.10458	0.9
111.04427	2.8
111.08060	7.1
115.03845	0.7
116.04668	1.7
117.06985	6.6
119.08559	11.9
121.06468	3.1
121.10127	11.4
123.04428	0.9
123.08037	3.2
123.11715	3.4
125.05944	0.8
125.09599	11.5
127.03884	5.1
127.07537	0.9
129.05449	5.1
129.06998	2.7
130.07826	0.8
131.08546	10.3
133.06474	0.7
133.10106	13.3
135.08038	2.6
135.11662	11.7
137.09593	3.6
139.03857	1.2
143.06999	1.6
143.08470	1.2
143.10643	1.3
145.04924	5.8
145.10103	4.8
147.07988	1.6
147.11647	5.9
149.02324	1.0
149.09636	3.2
149.13234	10.1
151.11157	1.9
153.12740	3.5
155.08444	1.3
155.10626	2.6
157.10114	2.3
159.11671	8.0
163.05981	5.8
163.11142	8.4
165.12743	3.6
167.14348	0.7
171.11604	0.9
173.04477	1.0
173.09633	1.7
173.11705	14.4
173.13152	0.9
175.11180	2.6
177.12677	3.9
180.08577	1.3
181.12207	2.4
184.07404	1.8
185.11734	0.8
187.59944	0.7
189.11151	1.1
189.12660	0.9
191.10590	3.3
193.12213	5.6
195.13782	10.6
199.13222	5.5
205.12256	0.7
209.11642	5.5
211.13235	5.8
213.14906	2.4
215.41487	0.7
217.14389	1.3
227.12737	9.0
229.14308	50.9
239.16356	4.6
257.13818	1.3
265.14316	1.7
267.15863	14.3
269.17426	51.2
283.15366	10.0
285.17032	2.2
295.18829	0.8
301.16409	19.0
313.16498	2.1
323.18454	2.2
339.22867	1.6
353.19577	0.7
357.24139	1.7
375.25037	1.0
393.26208	2.0
401.10349	0.7
411.27444	5.3
422.26563	0.9
423.27328	37.6
424.27652	1.0
431.27786	4.5
437.25259	0.9
449.28931	3.5
459.27496	1.7
473.28891	1.0
477.28391	5.0
495.29446	100.0
496.29956	3.1
513.30493	28.7
514.31036	1.4
561.60175	0.8
617.18658	0.9
639.33490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	7.2
65.03931	1.5
67.05494	20.6
69.03416	6.1
69.07056	6.1
71.01322	0.4
71.04983	4.6
73.02912	3.1
73.06560	0.3
77.27775	0.3
79.05477	23.0
81.03403	71.4
81.07040	25.2
82.03721	0.6
83.04965	16.2
83.08604	26.5
85.02888	34.5
85.06538	2.2
87.04445	0.9
91.03944	6.3
91.05463	32.8
93.07027	17.2
95.04951	29.0
95.08588	9.4
95.09044	0.2
96.04498	0.5
97.02872	8.3
97.06500	3.8
97.10152	5.0
99.04431	1.2
99.08080	1.5
101.02373	0.3
101.05969	0.4
105.07008	22.5
106.07349	0.3
107.04936	7.9
107.08578	6.9
109.02860	0.5
109.06516	4.7
109.10136	3.4
111.04418	2.9
111.08060	13.7
113.05981	2.9
115.05427	1.9
117.06966	1.6
119.04890	0.6
119.08559	20.2
120.08886	0.5
121.06479	2.3
121.10124	10.9
121.11004	0.5
123.04427	0.6
123.08046	2.9
123.11664	1.8
125.05968	0.6
125.09612	2.3
127.03889	2.6
127.07557	0.7
128.06171	0.4
129.05542	0.4
129.06981	12.2
131.08546	13.0
133.06477	3.1
133.10104	13.3
135.08000	0.4
135.11693	0.5
137.05939	0.4
137.09584	2.4
137.23112	0.3
141.06911	0.3
142.07756	3.8
143.08565	0.3
145.04945	2.0
145.06310	0.3
145.10086	2.3
147.04288	0.4
147.08009	3.2
147.11655	17.8
149.09593	7.1
151.11108	0.8
155.08504	0.4
157.10101	19.1
161.09619	0.4
163.06003	2.6
163.11174	1.5
165.12709	3.9
165.24846	0.3
175.11151	19.1
176.11511	0.4
189.11183	0.5
193.12206	53.5
194.12550	0.8
195.11667	0.4
211.13251	77.0
212.13615	1.0
227.12706	0.4
249.14827	0.9
267.15866	45.0
268.16177	0.6
273.14807	0.7
285.16907	79.5
286.17224	1.6
349.21713	0.8
367.22537	3.1
384.41913	0.3
385.23651	4.2
403.24774	1.6
429.20963	0.5
433.25867	2.3
441.26221	1.8
459.27328	41.0
460.27505	1.1
477.28400	38.3
478.28766	1.5
495.29446	100.0
496.29764	3.3
621.32782	0.8
639.33673	2.2
816.62848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	12.3
65.03930	3.0
67.05492	57.1
69.03415	7.1
69.07051	19.5
71.01341	1.8
71.04971	5.4
71.62972	1.2
73.02897	6.2
79.05480	36.3
81.03404	16.4
81.07040	70.8
81.10490	0.7
82.04179	1.9
83.04961	13.7
83.08604	17.2
85.02888	19.3
85.06521	5.5
87.04441	1.7
91.03945	9.4
91.05462	28.9
93.07024	44.7
95.04950	14.8
95.08586	22.2
97.02875	10.6
97.06507	12.3
97.10144	12.9
98.07281	3.5
99.04424	3.1
99.08076	3.4
101.05979	1.0
105.07014	15.1
107.04953	6.9
107.08577	30.3
108.50974	0.8
109.02861	1.8
109.06489	4.2
109.10128	15.2
111.04432	3.0
111.08054	8.0
113.05956	1.5
116.04699	5.1
117.06967	10.0
117.97375	0.8
119.08554	12.2
121.06474	4.3
121.10121	17.7
122.10843	0.8
123.04414	1.7
123.08055	5.5
123.11688	7.9
123.95388	0.8
125.05986	1.2
125.09610	8.4
127.03925	4.2
127.07529	0.8
129.05443	13.6
129.06993	3.0
131.08549	10.0
133.06519	1.2
133.10117	14.7
135.08044	3.2
135.11667	12.9
137.09601	2.2
139.11177	0.9
143.06999	2.3
143.08511	1.7
143.10638	1.2
144.06470	0.9
145.04910	3.6
145.06450	1.3
145.10083	6.0
147.08044	1.9
147.11655	16.5
149.09578	2.7
149.13245	18.6
151.11153	2.6
153.09061	2.0
153.12848	1.8
155.08498	0.9
155.10611	1.1
157.08560	5.9
157.10074	3.9
158.05679	1.4
159.11667	11.3
161.09628	1.3
161.13266	1.5
163.05994	4.1
163.11145	6.8
165.12735	6.9
167.07018	0.8
167.14243	1.1
169.10092	0.9
171.06534	2.0
171.10129	2.1
173.04483	1.1
173.09549	2.3
173.11768	5.0
173.13092	1.2
175.11165	3.3
177.12743	5.8
181.12225	2.1
184.07253	1.5
185.11662	0.9
189.11186	3.4
191.10637	3.2
193.12219	7.1
195.13779	13.1
199.13249	12.0
200.14113	1.4
209.11734	5.8
211.13275	6.7
213.14847	2.2
217.14288	1.4
227.12738	8.7
229.14200	4.3
255.15834	2.2
265.14355	2.4
267.15851	19.7
269.17416	62.4
270.17752	1.0
283.15350	14.1
285.16916	20.4
291.23175	1.2
301.16382	26.9
323.18488	2.7
351.21362	1.1
357.24234	1.3
371.72021	0.9
393.26324	5.5
401.34149	0.9
404.03671	0.9
411.27380	15.0
413.21530	1.9
423.27313	40.3
439.26974	1.0
449.28867	2.3
459.27350	5.5
461.29181	4.5
477.22119	1.7
477.28391	23.1
478.29117	4.9
495.29437	100.0
496.29382	1.8
513.30103	1.7
567.31140	1.7
621.32605	6.4
639.33728	7.8
657.34509	1.1
855.38837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.8
61.99427	1.0
65.03922	2.0
67.05491	27.1
67.06049	1.3
69.03422	2.5
69.07059	7.6
69.35134	9.5
69.35542	2.1
71.04987	1.6
71.05659	1.0
79.05478	23.1
81.03416	1.5
81.07040	23.3
83.04940	1.4
83.08600	6.7
85.02903	2.3
85.06574	1.7
86.09686	1.7
91.03940	1.1
91.05458	22.9
93.07021	25.2
93.25444	1.4
95.04959	5.1
95.08588	19.3
97.02879	1.1
97.06508	2.0
97.10184	2.0
99.08115	1.1
105.07010	21.9
106.23566	1.0
107.08575	15.1
109.06499	1.6
109.10140	10.7
111.04554	1.0
117.07003	11.6
118.30024	1.2
119.08568	21.1
121.10120	15.0
123.08038	1.2
123.11702	3.3
125.09604	1.6
128.06226	2.1
129.06944	6.8
131.08548	13.3
133.10110	14.9
135.08020	1.6
135.11646	7.9
136.66551	1.1
137.09647	1.3
139.03860	1.3
141.06972	2.5
143.08549	7.1
145.06393	1.3
145.10095	17.9
147.11656	10.6
149.13220	3.4
155.08517	4.2
157.10101	8.9
159.11684	12.3
161.09663	1.8
161.13231	5.8
163.11113	1.3
163.14810	1.7
167.08556	1.8
169.10101	5.2
171.11653	6.8
173.13254	5.6
175.14801	3.8
181.10124	3.1
183.11728	4.5
184.07343	4.3
185.13278	5.1
187.14764	3.8
189.16415	1.8
195.11679	3.2
197.13277	4.6
199.14774	4.1
201.16283	1.7
209.13203	1.4
210.45427	1.3
211.14789	3.0
213.16393	3.6
215.17908	1.6
223.14758	3.2
225.16391	2.3
237.16299	1.9
239.17989	2.4
241.19522	3.0
251.18115	1.5
255.17361	2.5
257.19058	6.6
259.20535	5.9
261.22116	2.4
275.20071	1.5
277.37241	1.3
291.19931	1.4
297.22079	1.9
309.21719	1.7
315.22803	1.7
329.24432	1.4
331.22861	3.0
333.24109	9.7
335.25708	4.7
365.28238	1.7
367.26282	1.6
389.27451	1.5
391.29584	1.7
395.29315	1.2
399.28683	1.4
400.05945	1.3
447.32349	1.8
465.33426	1.7
487.33884	1.8
501.35727	2.0
515.37036	1.4
517.40326	7.1
527.37140	1.9
535.41193	3.3
539.37531	3.0
540.38123	1.6
541.38715	1.2
591.44202	9.0
609.45013	100.0
610.44983	7.9
771.50647	2.0
879.26892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	0.7
65.03924	1.5
67.05491	23.1
69.03066	0.7
69.03416	8.2
69.07053	24.0
69.17334	0.4
70.07376	0.5
71.04964	1.8
71.08633	0.5
71.62773	0.4
71.63135	0.4
79.05000	0.5
79.05477	20.0
81.03403	6.1
81.07042	21.2
83.04961	5.0
83.08602	8.0
85.02872	1.2
85.06512	1.1
86.09664	0.5
90.38338	0.4
91.04884	0.6
91.05460	15.4
93.07023	17.6
95.01311	0.8
95.04955	6.8
95.08588	10.9
97.02873	9.1
97.06509	3.7
97.10148	11.8
103.05399	0.8
105.03378	0.6
105.07007	15.1
107.04933	10.4
107.08576	13.2
109.02837	0.6
109.06504	3.7
109.10136	7.8
111.04417	1.9
111.08043	1.8
113.05997	0.4
115.05454	1.2
116.06216	0.6
117.06987	8.0
119.04898	1.1
119.08557	12.3
121.06459	3.6
121.10120	5.5
123.04433	0.8
123.08068	2.7
123.11688	0.9
124.99993	0.5
125.09608	8.5
127.03878	0.5
127.07506	0.5
128.06175	1.0
129.06961	3.6
130.07764	1.1
131.08525	8.9
133.06471	3.9
133.10095	7.6
134.07242	1.0
135.08012	4.5
135.11652	2.3
137.09579	1.5
141.06956	1.0
142.07704	0.8
143.08533	3.9
143.10614	0.6
145.06451	1.8
145.10092	6.6
147.08015	5.0
147.11653	3.2
149.09601	2.0
149.13237	2.2
151.11157	1.1
153.09076	1.0
155.08527	1.0
157.10098	3.3
159.08006	1.5
159.11623	3.7
161.09547	3.5
161.13199	0.9
162.10373	1.2
163.11166	2.5
165.09087	1.6
169.10052	1.1
169.12207	0.9
171.10294	0.9
171.11690	2.3
173.09598	0.7
173.11740	0.6
173.13161	0.8
175.11086	2.6
177.09149	0.4
177.12746	2.1
179.14233	0.7
183.11647	0.6
184.07335	2.5
185.13187	1.2
187.11108	0.6
187.13324	0.5
187.14880	0.6
189.11200	3.7
189.12631	1.0
193.12187	0.7
194.21167	0.4
195.11864	0.5
195.13731	1.5
197.13226	0.5
199.11098	0.7
205.12279	1.9
205.15875	0.6
215.17780	0.5
217.15813	0.4
223.13237	16.6
227.12727	5.9
233.15285	1.0
241.19577	0.6
245.13864	0.5
245.18950	1.4
249.14780	3.6
250.39632	0.5
253.14149	0.9
255.17421	1.3
261.14850	0.6
261.18246	0.7
263.19922	0.6
267.15829	1.5
267.21155	0.5
269.17368	1.0
273.18433	15.2
274.18814	0.5
275.20062	2.7
279.15915	0.8
289.17911	2.9
291.19482	100.0
292.19760	2.8
309.20370	0.6
331.22568	0.6
347.22128	3.1
349.23651	1.7
363.21576	2.5
365.23157	52.8
366.23471	1.9
427.01141	0.5
472.37042	0.5
535.32611	1.3
539.33612	0.6
557.34631	4.6
573.34375	0.8
575.35107	1.3
587.35474	1.0
588.91656	0.5
616.37500	0.6
621.41949	2.7
623.43024	0.8
637.41028	3.8
639.42078	0.8
655.41907	52.3
656.42297	3.8
820.72754	0.5
852.51093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02892	0.7
65.03934	2.3
67.05495	41.0
69.03072	0.7
69.03419	9.2
69.07059	26.2
69.27134	3.1
69.27560	1.8
71.04974	3.4
73.02896	0.4
76.19741	0.4
77.03895	0.6
79.05481	28.6
81.03406	5.6
81.07044	42.5
82.07368	0.8
83.04975	7.8
83.08131	0.5
83.08602	7.1
85.02888	1.1
85.06531	3.5
86.09687	0.7
87.04454	0.7
89.05995	0.7
91.05466	37.4
92.05806	0.6
93.07031	29.0
94.04152	0.7
95.01297	0.9
95.04950	10.4
95.08592	15.3
97.02878	6.1
97.06520	4.8
97.10155	7.3
98.21510	0.7
99.04430	1.2
99.08043	0.7
103.05418	1.5
105.07018	31.1
106.07292	0.5
107.04935	8.9
107.08578	26.6
108.05710	1.0
109.02860	1.1
109.06514	5.6
109.10140	30.4
110.10432	0.5
111.04385	1.1
111.08038	2.9
113.05994	1.0
114.78377	0.4
115.05447	1.6
115.07546	0.4
116.06208	0.7
117.07001	8.5
119.04927	1.7
119.08563	13.6
120.05692	0.6
121.05638	0.6
121.06496	7.9
121.10123	6.3
123.04432	1.0
123.08061	4.4
123.11671	4.8
125.09615	6.9
127.07510	1.8
128.06189	1.7
129.06990	5.0
130.07768	0.8
131.08554	12.3
133.06473	4.0
133.10112	40.2
134.07230	0.4
134.10425	0.5
135.08035	8.0
135.10774	0.5
135.11670	3.3
136.06168	0.8
137.05972	0.5
137.09595	2.5
139.03853	1.4
139.07515	0.9
139.11176	0.5
141.06958	0.8
142.07770	0.7
143.08542	4.9
145.06448	1.3
145.10103	7.9
147.08035	5.1
147.11668	3.9
149.09579	4.6
149.13235	1.6
151.07501	0.5
151.11165	17.4
153.09082	1.1
153.12622	0.5
155.08511	1.1
156.04205	0.5
157.10086	3.7
158.08661	0.4
159.08043	2.1
159.11649	3.4
161.09584	5.7
161.13225	1.8
163.07516	0.5
163.11169	2.7
165.07072	0.5
165.09091	0.9
165.12672	0.4
169.10066	1.0
169.12206	3.5
171.11674	2.9
173.09550	1.3
173.13141	1.0
175.11223	3.1
177.09053	1.4
177.12746	1.4
179.10646	1.7
181.10074	0.7
181.12160	0.5
183.11604	0.8
184.07381	2.7
185.09622	0.6
185.13185	1.6
187.11176	0.7
189.11177	2.5
189.12723	1.6
193.12196	1.4
195.11729	0.7
195.13768	1.0
197.11699	0.5
199.11136	0.9
199.14796	0.5
205.12225	1.1
207.13698	0.5
209.13365	0.4
211.14922	0.5
213.12733	0.5
215.12747	2.3
217.12318	0.5
217.19458	0.6
223.13249	14.2
227.12781	3.7
227.17900	1.5
227.19962	0.9
233.15340	0.6
237.16426	1.0
245.19051	4.1
249.14798	3.1
251.12698	1.7
251.70024	0.4
253.14314	84.3
254.14713	2.2
255.17590	2.5
263.17230	0.3
263.19925	2.4
267.15875	1.2
271.15372	0.8
273.18454	31.3
274.18732	0.9
275.19986	0.6
283.15277	0.5
289.17914	0.5
291.19495	100.0
292.19772	2.8
309.20413	2.0
329.21158	1.3
347.17780	0.5
347.22092	9.1
365.23178	52.5
366.23386	2.1
423.23398	0.5
487.30533	0.5
543.33154	4.3
557.34729	0.6
559.32086	1.3
561.34192	21.8
562.34113	1.2
573.34241	0.6
575.35388	1.5
587.35883	0.6
609.40924	0.5
619.39374	0.6
637.40826	10.5
638.40936	0.9
655.41956	36.5
656.42780	2.4
673.42523	0.5
854.78448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5085
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	2.5
67.05494	40.0
68.05815	0.7
69.03420	4.8
69.07057	11.5
71.04990	3.9
71.05302	0.6
71.62726	1.2
73.02832	0.7
77.03897	0.7
77.79002	0.6
78.01746	0.6
79.05483	27.6
81.03408	6.2
81.07046	42.6
83.04973	8.3
83.08612	5.4
85.02891	1.4
85.06525	5.5
86.09695	1.3
91.05466	46.1
93.07028	29.8
95.04958	9.8
95.07961	0.8
95.08585	17.0
97.02874	1.4
97.06514	5.3
97.10131	2.3
98.12193	0.6
99.04426	1.4
99.08111	1.0
103.05441	1.9
105.07018	39.1
107.04948	8.3
107.08577	29.1
109.02807	0.9
109.06503	7.1
109.10141	41.5
110.10470	1.0
111.04415	1.4
111.08060	2.2
113.05980	1.1
115.05443	0.7
117.07016	8.2
119.04938	1.1
119.08562	13.7
121.06499	8.1
121.10136	5.8
123.04393	1.6
123.08062	4.6
123.11687	7.4
125.05968	0.7
125.09609	1.0
127.07504	2.0
128.06215	1.9
129.06999	4.0
131.08545	11.2
133.06483	4.0
133.10110	56.2
135.08038	8.6
135.11685	5.0
137.05965	0.8
137.09550	2.1
139.03870	1.9
139.07535	1.1
141.06979	1.0
143.08528	5.1
145.06377	0.8
145.10098	7.4
147.08029	3.9
147.11653	4.0
149.09589	7.1
149.13226	1.1
151.11160	32.6
155.08539	1.0
157.10133	3.2
159.08040	2.5
159.11668	3.4
161.09604	7.2
161.13252	2.1
163.07596	1.4
163.11145	2.2
169.10022	1.2
169.12199	5.2
171.11626	2.9
173.09566	1.4
173.13205	1.0
175.11165	3.3
177.09099	2.1
177.12621	0.9
179.10648	2.2
181.10069	1.0
183.10017	0.8
184.07266	3.3
185.09566	0.9
185.13228	1.6
187.11150	1.1
189.12675	2.3
195.13695	0.8
197.11699	1.1
199.11215	0.9
199.14810	0.9
203.14197	0.9
213.12827	0.7
213.16373	0.7
215.12717	3.1
227.18016	1.3
237.16269	1.1
245.18974	5.0
251.12852	1.9
253.14313	100.0
254.14734	2.1
255.17468	2.8
263.20053	3.8
267.15717	0.7
271.15341	3.0
273.18442	28.6
275.19971	0.9
291.19504	21.6
309.20679	1.6
329.21027	2.1
335.25735	1.1
347.22107	8.1
365.23178	28.8
366.23593	1.8
421.25577	1.3
449.25287	15.6
515.33649	0.8
525.32239	1.0
543.33026	8.8
561.34235	11.7
562.33899	1.0
619.39972	0.9
637.40887	4.8
655.41956	21.1
656.41614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02631	0.4
61.02919	4.8
63.57878	0.3
65.03929	0.6
67.05496	10.8
69.03422	2.8
69.07059	3.1
70.11022	1.4
71.01336	0.8
71.04977	2.4
73.02905	1.6
73.06499	0.3
75.47060	0.3
77.57838	0.3
79.05482	12.3
79.05956	0.6
81.03407	28.0
81.07046	14.3
83.01334	3.3
83.04972	8.8
83.08611	11.7
84.08907	0.3
85.02895	16.3
85.06541	0.6
86.09680	0.4
86.11610	0.3
91.03949	3.4
91.05468	14.4
93.07032	13.3
95.04955	11.4
95.08590	6.3
97.02873	5.3
97.06509	3.1
97.10165	1.9
99.04429	1.8
99.08098	0.8
103.05412	0.6
105.07017	11.5
106.58902	0.3
107.04950	5.4
107.08581	7.9
109.02847	0.7
109.06500	4.2
109.10133	1.8
111.04425	2.2
111.08063	4.7
113.05979	0.9
115.03905	0.5
115.05421	0.5
117.06998	3.7
119.04956	0.7
119.08566	10.3
121.06487	2.1
121.10121	6.2
123.04414	1.1
123.08044	3.8
123.11697	1.0
125.05975	1.2
125.09592	1.4
127.03880	2.0
127.07567	0.5
129.06987	3.8
130.07732	0.5
131.04898	0.4
131.08551	5.3
133.06479	1.2
133.10100	4.3
135.04362	0.4
135.08037	1.2
135.11667	4.9
137.06026	0.3
137.09595	1.6
139.03873	0.5
142.07700	0.6
143.08549	0.5
145.04947	1.7
145.06540	0.4
145.10101	6.9
147.04431	0.6
147.08026	2.3
147.11659	5.7
149.06032	0.4
149.09619	2.5
151.03903	0.5
152.42154	0.3
153.01768	0.4
153.12746	1.3
155.08516	0.7
157.10100	5.4
163.03902	0.4
163.06009	1.5
163.11160	10.1
165.12724	1.5
167.07043	1.2
173.09610	1.7
175.11133	6.0
177.05452	0.6
181.04959	0.5
181.12213	1.6
184.07372	0.5
189.09047	0.4
191.10696	1.4
193.12218	17.7
200.21208	0.3
209.08061	0.6
209.11658	1.9
211.13258	23.8
212.13689	0.3
227.12694	1.7
265.14410	0.4
267.15869	7.3
283.15366	35.4
284.15710	0.6
285.16928	22.5
286.17374	0.7
289.14093	0.4
383.22168	1.9
401.23328	0.9
407.24341	0.4
419.24170	0.4
457.25742	4.4
475.26895	18.7
476.26990	1.0
493.27893	100.0
494.28204	4.5
637.32025	1.3
638.31946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.1
65.03941	0.6
67.05496	10.2
68.99776	0.3
69.03424	3.1
69.07055	3.4
70.77594	0.7
71.01332	0.6
71.04982	3.0
73.02914	2.2
79.05484	13.5
79.05952	0.6
80.05840	0.3
81.03407	26.9
81.07047	13.2
82.03745	0.6
83.01347	2.6
83.04971	9.2
83.08611	11.8
83.09108	0.6
84.08978	0.3
85.02895	15.2
85.06529	1.3
86.09679	0.3
87.04443	0.5
91.03944	3.7
91.05470	13.1
92.05784	0.3
93.07032	12.7
95.04957	11.4
95.08593	5.3
97.02879	5.9
97.06516	2.7
97.10158	2.6
99.04439	1.5
99.08112	0.7
103.05475	0.4
105.04566	0.3
105.07018	9.9
107.04943	5.4
107.08581	6.7
108.05315	0.3
109.02874	0.9
109.06511	3.6
109.10126	2.4
110.10489	0.3
111.04417	2.3
111.08058	4.5
113.06004	0.6
115.03945	0.6
115.05434	0.5
117.06995	3.3
119.04929	0.2
119.08566	9.4
120.08939	0.2
121.06483	1.6
121.10123	5.6
122.10504	0.3
123.04390	1.2
123.08051	3.6
123.11659	0.5
125.05997	0.8
125.09628	1.4
127.03911	2.3
129.05444	0.3
129.06982	4.2
130.07765	0.4
131.04895	0.6
131.08548	4.6
133.06468	1.0
133.10121	4.4
135.04424	0.5
135.08049	1.1
135.11674	4.5
137.05910	0.4
137.09560	1.9
139.03847	0.8
141.06857	0.3
142.07774	1.1
143.08540	0.6
145.04953	1.7
145.06352	0.6
145.10100	6.3
147.04398	0.9
147.08011	1.7
147.11670	5.8
149.05949	0.3
149.09610	2.7
151.03893	0.5
151.11143	0.6
153.12723	1.1
155.08556	0.8
157.10097	5.5
161.06079	0.3
161.09584	0.4
163.03810	0.3
163.06050	2.1
163.07312	0.5
163.11160	9.5
165.09082	0.6
165.12738	1.4
167.07007	1.0
173.09555	1.3
175.11165	5.3
177.05446	0.4
179.03291	0.3
181.04918	0.3
181.12250	1.1
184.07352	0.6
189.11276	0.4
191.06989	0.4
191.10661	1.0
193.12228	16.4
194.12608	0.7
209.11690	2.0
211.13268	28.1
212.13597	0.6
227.12747	2.0
231.13971	0.3
249.14816	0.3
265.14349	0.5
267.15863	7.7
268.16333	0.4
283.15363	32.7
284.15692	1.4
285.16931	24.0
286.17389	0.9
287.05576	0.3
301.16589	0.3
383.22064	1.4
401.23264	0.7
407.24323	0.5
457.25833	3.9
475.26868	16.5
476.27161	1.2
481.27811	0.3
493.27902	100.0
494.28284	6.5
511.28329	0.3
637.31915	1.1
822.84332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	0.4
61.02913	4.4
65.03932	1.8
67.05491	31.0
69.03413	3.1
69.07056	8.7
70.24488	1.0
70.24903	0.6
71.00597	0.3
71.01339	0.4
71.04985	3.4
73.02906	1.6
73.06534	1.2
73.50165	0.3
77.03884	0.8
79.05477	48.6
80.05809	0.5
81.03402	40.9
81.07039	31.7
83.04964	14.3
83.08601	14.1
85.02887	13.4
85.06522	2.0
87.04443	0.6
91.03956	3.3
91.05463	42.6
92.05793	0.7
93.07024	47.2
94.07350	0.6
95.04948	24.3
95.08588	17.2
95.09213	0.5
96.04499	0.3
97.02882	4.6
97.06494	3.5
97.10134	4.4
99.04436	0.8
99.08080	1.2
103.05444	0.6
105.04504	0.8
105.07006	31.9
106.07326	0.4
107.04931	7.4
107.08572	12.5
108.08908	0.3
109.06499	6.3
109.10123	3.8
111.04446	1.7
111.08060	5.6
113.05960	1.5
113.09637	0.3
115.05418	1.6
117.06984	5.2
119.04903	0.7
119.08556	22.8
120.08862	0.3
121.06470	2.6
121.10114	5.9
123.04387	0.5
123.08046	5.0
123.11693	1.2
125.05991	0.6
125.09598	1.2
127.03902	1.4
127.07539	1.2
128.06194	1.2
129.06976	14.7
131.08534	7.2
133.06456	2.1
133.10103	12.3
135.07974	0.7
135.11679	1.8
137.05916	0.5
137.09570	1.4
139.07500	0.3
141.06961	0.4
141.09045	0.6
141.11598	0.3
142.07748	2.0
143.08534	5.6
143.09538	0.5
145.04939	1.3
145.06502	0.4
145.10089	6.8
147.04353	0.4
147.08008	3.4
147.11655	30.5
149.09627	3.3
151.11160	0.5
153.01688	0.4
156.09384	0.7
157.10092	7.3
159.11688	1.0
161.09570	2.7
161.13222	6.8
163.06001	1.0
163.11131	1.0
165.09087	0.4
165.12781	1.6
171.11650	17.2
173.04340	0.3
175.11145	7.5
179.14294	0.4
187.11130	0.3
189.12729	6.1
193.12204	22.0
207.13757	22.7
211.13249	21.4
225.14830	1.2
249.14813	0.7
267.15860	30.8
268.16431	0.4
281.17413	89.6
282.17667	1.7
285.16898	21.9
286.17511	0.4
302.72263	0.4
305.17242	0.4
327.98422	0.4
399.25436	0.5
421.25882	0.5
447.27307	0.6
455.27826	1.3
473.28900	100.0
474.29187	3.4
491.29938	90.9
492.30280	3.1
505.84906	0.3
515.29926	0.3
571.31860	0.4
617.32874	0.4
635.34302	2.9
697.31494	0.4
789.33221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	0.4
61.02919	3.6
62.67885	0.3
65.03895	1.4
67.05492	21.9
68.05813	0.4
69.03426	2.3
69.06725	0.5
69.07059	6.7
70.23608	0.3
71.04977	2.5
73.02879	1.2
73.06524	0.9
77.03904	0.6
79.05477	34.1
81.03403	34.8
81.07040	23.9
81.98323	0.3
83.04967	10.5
83.08144	0.8
83.08604	12.1
85.02887	12.8
85.06505	1.8
87.04434	0.6
91.03931	2.5
91.05463	30.4
93.07024	31.5
95.04951	20.7
95.08585	13.8
97.02861	3.4
97.06503	3.0
97.10133	2.9
99.04436	0.7
99.08057	0.9
103.05412	0.5
105.04500	0.7
105.07009	25.0
107.04932	6.0
107.08578	8.5
109.02861	0.5
109.06498	4.5
109.10131	3.0
111.04443	1.6
111.08057	5.4
113.05965	1.2
115.05431	1.2
115.80746	0.3
116.06168	0.4
117.06996	3.1
119.08557	17.9
121.06487	2.1
121.10120	5.4
123.08050	3.4
123.11684	0.8
125.09572	1.0
127.03869	1.3
127.07516	0.7
128.06181	1.0
129.06981	11.3
131.08540	6.3
133.06488	2.0
133.10117	9.5
135.07974	0.5
135.11642	1.0
137.09618	0.9
142.07779	1.5
143.08524	3.8
145.04909	0.9
145.06441	0.5
145.10098	5.0
147.08018	3.4
147.11661	21.8
149.09581	3.7
156.09276	0.5
157.10095	7.1
159.11656	0.6
161.09615	2.0
161.13231	4.8
163.05904	0.5
163.11179	1.0
165.09042	0.4
165.12802	1.6
169.10086	0.4
171.11664	10.4
175.11157	7.8
189.11201	0.6
189.12700	3.9
193.12212	19.4
207.13753	9.8
211.13248	20.9
221.08005	0.3
225.14815	0.9
229.28378	0.3
249.14796	0.6
267.15866	26.1
281.17422	37.8
285.16901	22.8
381.24121	0.4
421.25833	0.5
429.21069	0.5
447.27484	0.6
455.27753	0.8
473.28918	100.0
474.29294	1.6
491.29953	66.6
492.30518	1.9
617.33264	0.6
635.34521	2.3
838.84296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04985	2.8
61.02917	10.2
65.03929	1.8
65.99561	0.3
67.05495	79.7
68.05828	0.8
68.91550	0.3
69.03413	2.2
69.07059	6.4
71.01335	0.3
71.04986	3.2
71.07397	0.4
71.08635	0.6
72.11531	0.3
73.02905	3.9
76.42371	0.3
79.05482	13.7
80.05853	0.4
81.03397	1.5
81.07047	32.7
82.07381	0.6
83.04977	1.0
83.08609	7.5
85.02895	12.8
85.06525	2.7
86.09690	1.9
87.04444	0.6
91.03944	7.4
91.04874	0.5
91.05465	10.6
93.07030	20.7
93.86191	0.3
94.07352	0.3
95.04979	1.9
95.08593	23.6
96.04501	0.3
96.08910	0.4
97.02877	6.8
97.06524	1.3
97.10153	1.6
98.20717	0.7
99.04446	1.2
99.08092	0.8
103.03921	0.4
105.07022	6.6
107.05002	0.3
107.08583	12.2
109.02840	0.6
109.06504	0.8
109.10141	68.9
110.10482	1.0
111.04432	0.3
111.08077	3.0
113.05999	0.4
113.09603	0.5
115.03891	0.7
115.05437	0.4
117.06992	2.6
118.49332	0.3
119.08568	10.3
121.06497	1.5
121.10123	10.0
123.08021	0.8
123.11687	3.6
124.99989	1.3
125.09626	1.3
127.03906	3.3
129.07011	0.5
131.08546	5.8
131.30040	0.3
133.10121	5.1
135.08037	0.6
135.11665	6.8
137.09592	3.5
137.13264	1.1
139.03955	0.3
139.11127	0.4
143.08543	0.5
143.97151	0.3
145.04942	3.9
145.10098	4.6
147.04375	0.4
147.11655	4.0
149.13248	4.6
155.10652	3.5
157.10170	0.5
159.11670	3.3
161.13223	2.5
163.05986	5.1
163.11143	0.6
163.14793	2.9
173.11742	20.4
173.13255	3.5
174.12122	0.4
175.14809	1.1
177.16359	1.0
179.14246	0.3
184.07326	6.4
185.07657	0.7
185.13243	0.4
187.14838	2.2
189.11221	1.0
201.16382	0.6
213.14685	0.4
227.12761	8.0
228.13002	0.3
229.14319	100.0
229.32080	0.3
230.14626	2.4
233.22632	0.5
243.21036	4.4
245.22673	0.3
246.66521	0.3
259.20578	0.3
261.22101	17.1
262.22473	0.8
263.23596	0.6
279.19678	0.3
279.23209	0.5
285.22556	0.3
299.23657	0.3
317.24707	1.9
335.25751	64.4
336.26080	2.4
367.24710	0.3
373.18311	0.5
379.29858	1.2
397.30948	1.7
415.31949	1.4
433.33441	0.4
435.31369	0.3
466.36520	0.4
471.34653	3.1
489.35690	52.7
490.36008	3.2
507.36722	9.2
508.37259	0.4
603.15460	0.4
633.39874	0.8
848.50256	1.0
864.73901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	3.5
61.02909	12.4
65.03916	3.2
66.04716	0.4
67.05486	96.7
67.28691	0.3
68.05814	1.1
69.03413	2.6
69.07048	8.8
71.04974	3.8
71.08617	0.6
71.62921	0.5
72.80823	0.4
73.02899	4.0
73.40376	0.3
77.03921	0.3
79.05470	20.6
80.06315	0.4
81.03414	1.7
81.07034	39.8
82.07371	0.8
83.04974	1.6
83.08596	8.3
85.02881	13.5
85.06522	3.2
86.09694	2.5
87.04459	0.7
91.03927	8.5
91.04868	0.7
91.05452	15.2
93.07016	27.2
94.07330	0.5
95.04942	2.7
95.08582	28.1
96.04495	0.6
96.08934	0.7
97.02869	7.7
97.06495	1.5
97.10161	2.5
99.04414	0.8
99.08084	1.2
102.65373	0.3
103.03903	0.4
104.10712	0.3
105.04510	0.6
105.07010	7.9
107.04895	0.4
107.08565	18.2
109.02840	0.7
109.06492	1.4
109.10124	79.4
110.10469	1.5
111.08070	3.3
111.11651	0.3
112.13981	0.3
113.09616	0.7
115.03899	0.7
115.05441	0.4
117.06976	3.5
118.81821	0.3
119.06135	0.3
119.08547	13.7
121.06472	0.4
121.10109	12.4
123.08067	0.8
123.11672	3.9
124.99986	1.0
125.09563	1.6
127.03870	3.4
127.11094	0.7
129.06932	0.4
131.08533	7.1
133.10089	6.9
134.10350	0.3
135.07979	0.5
135.11664	8.9
137.09583	3.7
137.13237	1.3
143.08553	0.8
145.04929	3.7
145.10083	5.5
147.11649	4.5
149.09607	0.8
149.13200	5.1
151.11211	0.8
153.12672	0.5
155.10616	4.3
157.10110	0.5
159.11671	4.5
161.13222	3.7
163.05989	5.0
163.11139	0.6
163.14761	3.0
171.11665	0.8
173.11710	22.4
173.13231	4.3
174.12077	0.5
175.14806	1.4
177.12743	0.5
177.16382	1.1
177.17961	0.4
180.08662	0.7
184.07286	5.7
184.08737	0.5
185.07625	0.4
185.13220	0.4
187.14777	2.1
189.11191	1.3
189.16362	0.7
199.14792	0.6
201.16325	1.0
213.14651	0.4
227.12726	6.5
229.14285	100.0
230.14554	2.7
233.22601	0.9
243.21027	5.8
261.22064	21.2
262.22421	1.1
263.23776	0.4
299.23697	0.7
317.24670	3.3
335.25705	82.8
336.25998	3.4
346.18402	0.4
373.18448	0.5
379.29797	1.5
397.31006	1.8
415.31921	1.1
425.70346	0.3
433.33231	0.5
453.33813	0.5
462.21686	0.3
471.34537	3.1
489.35620	81.5
490.36020	5.9
507.36688	10.1
508.36719	0.8
581.83417	0.4
633.39948	1.0
651.39844	0.6
848.51697	0.5
876.97461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	1.1
60.10331	0.4
60.10615	0.4
61.02919	4.0
67.05492	4.4
67.06915	0.3
69.03426	3.0
69.07053	3.2
71.01331	0.5
71.04981	0.7
71.07359	0.8
73.02911	3.5
74.04926	0.4
74.53439	0.4
79.05476	5.9
79.05896	0.6
81.03394	2.0
81.07040	7.1
83.04967	0.9
83.08611	1.0
85.02889	4.6
86.09695	4.8
87.04443	0.5
87.10027	1.0
91.03935	2.8
91.05465	5.4
93.07024	6.5
95.04973	1.3
95.08590	3.8
97.02881	4.5
97.06544	0.5
97.10179	0.6
98.98445	0.5
99.04421	0.8
99.08098	0.5
101.02376	2.3
104.10745	0.8
105.07014	3.9
107.04938	0.7
107.08559	3.4
109.02806	0.9
109.06548	0.6
109.10140	1.2
115.03922	0.5
117.07006	1.2
119.08574	3.6
120.59127	0.4
121.10139	2.0
123.08054	0.5
123.11706	0.5
124.99990	3.8
125.09589	0.5
127.03930	1.2
129.06981	0.6
131.08560	1.5
133.10130	2.7
135.11705	1.4
143.08517	0.5
145.10144	0.9
147.11720	1.5
149.09564	0.7
149.13274	0.6
157.10150	0.5
159.11665	0.8
161.13269	0.6
162.07721	0.5
163.11240	0.4
164.49167	0.4
171.11766	0.8
184.07310	15.2
185.04219	1.1
185.07703	1.6
243.08369	3.9
250.14467	0.4
297.16806	0.4
301.09027	1.6
315.10577	0.8
315.18848	0.4
333.20258	3.3
373.11157	0.7
373.23520	0.9
389.23010	1.1
397.18652	0.4
439.19659	1.2
453.21002	0.9
465.21106	1.4
535.28741	8.1
536.29193	0.6
541.22455	0.6
551.28113	6.6
552.28937	0.5
622.07764	0.4
623.30414	1.4
673.44733	0.5
845.50067	100.0
846.50366	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	846.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	0.3
61.02917	1.7
61.21983	0.2
65.03918	1.3
67.05493	18.4
68.05797	0.3
69.03410	0.8
69.06705	0.4
69.07056	4.3
71.03968	0.3
71.04326	0.6
71.04985	1.1
73.02891	0.4
73.06551	0.9
77.03922	0.6
79.05479	31.9
81.03403	3.5
81.07043	16.3
82.07382	0.4
83.04470	0.3
83.04967	5.6
83.08608	3.2
85.02878	2.4
85.06532	1.1
91.03966	1.1
91.05466	22.6
92.05791	0.5
93.07027	31.6
94.07341	0.4
95.04952	9.4
95.08590	10.7
96.05988	0.2
97.02890	1.5
97.06513	2.2
97.10148	1.5
99.04401	0.2
99.08060	0.5
103.05460	0.3
105.04489	0.6
105.07014	17.7
106.07325	0.4
107.04932	2.4
107.07843	0.5
107.08576	8.0
109.06491	2.9
109.10131	2.0
111.08073	0.5
115.05421	0.5
117.06998	3.7
119.08559	10.7
121.06492	1.3
121.10136	1.7
123.08041	2.8
125.09590	0.2
127.03866	0.3
127.07516	0.7
128.06190	1.0
129.06985	9.2
130.07793	0.2
131.08548	1.3
133.06461	0.4
133.10109	5.3
135.08078	0.5
135.11699	1.1
137.06032	0.2
137.09608	0.4
141.06862	0.2
142.07733	0.3
143.08528	5.0
145.04919	0.4
145.10106	5.4
146.10558	0.2
147.08014	1.5
147.11661	19.3
148.11948	0.5
156.09279	0.3
159.11699	0.7
161.09634	1.8
161.13219	6.5
163.05997	0.5
163.11182	0.8
169.10110	0.3
171.11658	13.7
172.12030	0.4
173.04442	0.3
179.14281	0.6
184.07329	0.3
189.12712	5.8
191.14311	0.2
207.13763	12.4
208.14116	0.5
220.90826	0.2
225.14787	1.4
263.16367	1.3
269.15344	0.2
270.11777	0.2
279.15759	0.3
281.17426	34.1
282.17734	1.8
413.27109	0.2
469.29337	2.8
470.29605	0.2
487.30475	100.0
488.30801	9.0
505.31442	0.5
567.33185	0.9
631.34381	0.9
649.36127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	2.0
61.02922	5.3
67.05497	9.0
69.03426	3.6
69.07059	2.8
70.68272	1.3
71.04979	1.0
71.07358	1.1
73.02901	4.0
79.05488	4.1
79.22654	0.4
81.03396	1.9
81.07043	7.1
83.04987	1.0
83.08603	1.1
85.02893	7.0
86.09689	9.0
87.10048	1.0
88.80230	0.5
91.03933	3.5
91.05464	3.2
93.07032	4.6
95.04971	1.4
95.08591	5.5
97.02876	5.0
97.06517	2.2
97.10169	0.7
98.98442	1.0
99.04440	1.1
101.02365	1.5
104.10732	0.5
105.07011	2.5
106.71060	0.5
107.08590	3.0
109.10144	2.6
115.03918	0.7
117.06974	0.8
119.08581	2.1
121.10115	2.5
123.11684	0.8
124.99987	7.5
125.09643	0.5
127.03899	1.8
131.08543	1.3
133.10126	1.7
135.11714	1.6
137.05759	0.5
143.64075	0.4
145.10106	1.0
147.11679	1.0
149.13295	1.2
173.13292	0.6
184.07307	33.4
185.04208	0.8
185.07649	3.2
207.18295	0.5
229.14383	0.8
243.08310	2.8
311.06213	0.6
335.25949	0.7
337.27374	1.2
338.27631	1.0
349.19821	11.3
349.23804	0.8
415.67413	0.6
439.19083	0.7
444.98331	0.7
453.20605	1.0
519.29138	6.4
532.40613	0.8
567.27875	3.1
612.47278	0.6
759.41718	0.8
845.49976	100.0
846.49725	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07117	0.1
59.07399	0.3
60.08154	5.8
67.05499	0.3
68.84667	0.1
69.03404	0.1
69.07051	0.1
70.06577	0.2
71.07362	3.3
74.28474	0.1
79.05470	0.3
80.97433	0.1
81.03415	0.1
81.07040	0.3
83.08587	0.1
83.32585	0.1
86.09692	30.6
87.09501	0.1
87.10027	0.4
91.05464	0.4
93.07027	0.4
95.04957	0.1
95.08583	0.3
98.21503	0.2
98.98448	2.7
104.10725	3.5
105.06994	0.2
107.04942	0.1
107.08595	0.2
119.08517	0.2
121.06463	0.1
121.10109	0.2
124.99983	20.1
126.00314	0.1
129.58510	0.1
133.10126	0.1
143.01036	0.4
145.10109	0.1
147.11588	0.1
152.05666	0.2
166.02580	0.1
184.07312	100.0
185.07652	1.3
190.89774	0.1
222.08949	0.1
230.28534	0.1
593.46460	0.1
637.09692	0.1
658.36761	0.1
670.39923	0.2
672.42261	0.2
712.44135	0.2
728.44727	0.1
738.42255	0.3
740.44342	0.2
756.44122	0.5
758.45099	0.2
792.51251	0.4
793.50916	0.1
808.50165	0.2
810.52893	0.7
826.52063	1.0
827.52161	0.1
844.51398	0.6
845.49084	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07385	0.3
60.08152	6.0
61.04168	0.1
67.05493	0.4
69.07049	0.2
70.06560	0.1
71.07359	3.2
71.62371	0.1
73.77197	0.1
74.73600	0.1
75.26266	0.1
79.05472	0.5
81.07042	0.5
83.08598	0.2
85.48253	0.1
86.09688	30.1
87.10007	0.2
91.05459	0.4
93.07025	0.4
95.04951	0.2
95.08585	0.3
97.10188	0.2
98.98447	3.0
104.10724	3.2
105.06993	0.3
107.08543	0.2
107.61740	0.1
109.10143	0.2
112.39928	0.1
117.07027	0.2
119.08562	0.2
121.10139	0.2
124.99979	20.5
131.08592	0.1
133.10112	0.2
135.11697	0.2
143.01013	0.4
145.10146	0.2
154.57872	0.1
161.13318	0.1
163.03833	0.2
166.02631	0.2
184.07303	100.0
185.07674	0.8
209.78325	0.1
281.55453	0.1
442.44321	0.1
563.18005	0.1
605.41376	0.1
648.65179	0.1
670.39825	0.2
720.41589	0.3
738.42822	0.4
744.44116	0.3
756.44739	0.8
790.49176	0.2
806.48334	0.2
808.51532	0.3
824.50513	2.1
825.49683	0.2
842.51355	1.6
843.50153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04987	2.3
60.08159	5.6
61.02921	1.5
62.54480	0.7
63.58511	0.8
65.03939	3.4
67.05493	100.0
68.05856	1.0
69.03433	3.8
69.07056	23.6
69.55426	6.4
71.04978	5.5
71.07348	2.4
71.10809	0.7
73.02902	0.9
77.17752	0.7
79.05481	46.0
81.03410	2.3
81.07043	78.4
83.04955	3.6
83.08604	15.2
85.02901	2.6
85.06538	4.2
86.09690	28.8
91.03957	0.8
91.04887	1.3
91.04993	0.7
91.05465	34.6
93.07029	56.9
94.07343	1.0
95.04955	7.3
95.08591	51.7
97.02899	1.7
97.06512	7.5
97.10161	9.3
98.98472	2.9
99.08098	2.3
103.05456	1.0
104.10747	2.6
105.04497	1.6
105.07012	28.6
105.11263	0.7
107.04936	3.6
107.08577	38.7
109.06494	4.5
109.10139	58.4
110.10465	1.0
111.08067	4.6
113.09613	1.1
117.07000	12.2
119.08559	24.9
121.06510	3.3
121.10130	26.9
123.08060	3.7
123.11661	8.6
124.99989	20.7
125.00851	1.6
125.09621	6.3
127.03922	1.5
128.06229	1.1
129.07010	4.6
130.07777	0.8
131.08542	18.7
133.10104	19.1
133.11058	1.2
135.08014	3.5
135.11670	15.6
137.09576	4.8
137.13225	1.4
139.11186	1.8
139.36702	1.1
141.07004	1.0
143.08560	3.3
145.10100	13.9
145.11256	0.9
147.08037	1.4
147.11662	13.2
149.09624	5.1
149.13237	10.5
151.11191	2.2
153.12740	0.8
155.08563	2.3
155.10664	2.2
157.10078	3.8
159.11664	11.7
161.09636	0.8
161.13240	5.8
163.11195	3.9
163.14857	3.2
165.12730	0.7
169.10118	2.8
171.10323	1.0
171.11710	3.4
173.11748	13.2
173.13281	7.8
175.11180	1.5
175.14830	2.5
177.12836	2.7
177.16412	1.2
179.14291	1.5
183.11732	2.7
184.07310	90.0
185.07619	1.4
185.13242	2.7
187.13382	0.9
187.14862	3.0
189.11214	3.2
189.12755	1.1
189.16423	1.0
193.12299	0.8
195.13881	3.0
197.13286	1.4
199.14816	1.6
201.12717	1.2
201.16423	1.8
203.12598	0.8
203.14320	0.9
211.14828	1.3
213.16603	1.1
215.18062	0.9
227.12704	9.8
227.14555	0.9
229.14313	44.2
229.19516	2.0
239.18037	2.1
241.14326	0.9
243.21017	4.1
247.20618	1.0
257.18884	4.4
259.20639	2.4
261.22095	15.3
267.16147	0.9
269.17432	16.5
275.20032	22.0
277.21884	1.0
291.19574	0.9
293.21072	4.4
309.20490	1.1
317.24838	1.6
331.22653	1.4
333.24338	1.4
335.25748	89.0
336.26053	4.2
349.23648	19.5
351.25204	0.8
367.24734	14.5
397.30954	1.2
415.32196	1.1
435.32303	0.8
471.34720	1.1
487.34360	0.9
489.35715	32.8
489.94406	0.8
490.36078	1.6
505.35620	1.0
507.36850	6.1
511.37979	1.2
527.37512	1.5
529.38818	36.3
530.39240	2.7
543.40906	0.8
547.39703	1.1
569.41705	4.3
609.45007	29.3
610.45404	2.2
627.46057	20.0
726.46594	1.0
806.88556	0.9
842.55267	1.2
843.48743	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	840.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08152	6.3
61.02935	0.7
65.03925	0.8
65.17429	0.3
67.05495	13.1
69.03411	1.0
69.06709	0.5
69.07052	5.1
69.17203	0.3
70.06562	0.3
71.01363	0.3
71.04977	0.9
71.07370	3.1
71.08608	0.3
71.62885	0.5
72.41659	0.3
74.09728	0.3
77.03929	0.3
79.05479	12.4
81.03406	1.6
81.07045	14.6
82.02924	0.3
83.04993	1.5
83.08601	3.3
85.02888	0.9
85.06513	0.9
86.09692	27.5
87.10019	0.5
91.03935	0.4
91.05467	14.3
93.07035	13.6
94.07369	0.5
95.04944	2.2
95.08595	9.5
96.08908	0.4
97.02871	0.9
97.06529	2.2
97.10144	1.9
98.98447	2.7
99.08067	0.8
103.05433	0.4
104.10731	3.4
105.07015	14.3
106.07346	0.5
107.04947	1.6
107.08577	7.8
107.78049	0.3
109.02863	0.3
109.06516	1.6
109.10149	3.3
111.08077	1.0
115.05480	0.5
116.06213	0.4
117.06989	5.7
117.68520	0.3
119.08569	9.3
121.06482	2.2
121.10128	5.2
123.08058	0.6
123.11668	1.1
124.99984	19.1
125.09589	1.3
128.06198	0.3
129.05496	0.4
129.06981	3.3
131.08539	6.2
133.06471	0.6
133.10107	8.1
134.10461	0.4
135.08022	1.3
135.11687	4.0
137.09584	0.8
139.11191	0.3
141.06926	1.1
142.07730	0.3
143.01003	0.7
143.08545	3.1
144.09349	0.4
145.06482	0.5
145.10107	5.4
146.10548	0.3
147.08028	0.4
147.11658	6.2
148.12029	0.4
149.09602	1.6
149.13252	1.8
151.11177	0.8
154.07706	0.4
155.08542	2.1
157.10110	3.8
158.10931	0.3
159.08044	0.5
159.11674	4.8
161.09602	0.5
161.13234	3.1
163.11142	1.7
163.14772	0.4
165.12674	0.5
167.08559	0.7
169.10159	1.9
169.45863	0.3
171.11652	3.8
173.09601	0.4
173.13245	2.5
175.11102	0.7
175.14798	1.7
177.12741	0.7
181.10106	1.2
181.11943	0.3
183.11696	2.1
184.07314	100.0
185.07600	1.4
185.13260	2.1
187.14818	1.2
189.11203	0.5
189.12820	0.4
189.16315	0.4
193.10127	0.5
193.12138	0.3
195.11684	1.3
195.13550	0.3
197.13225	1.3
199.14796	0.9
201.12889	0.3
201.16409	0.4
207.11650	0.4
209.13197	1.0
211.14774	1.0
213.16356	0.4
215.17953	0.6
221.13223	0.3
221.15489	0.3
223.14883	0.4
225.16267	0.7
227.12662	0.7
231.21004	0.6
233.15410	0.4
237.16370	0.5
239.17944	0.7
241.19502	2.7
251.17897	0.3
255.15820	1.4
257.18918	1.0
259.20535	6.5
261.21970	0.3
267.15701	0.6
269.17340	1.7
273.18524	0.7
275.20050	4.1
276.20361	0.5
277.21503	0.4
283.20425	0.4
291.19470	0.5
293.20975	0.3
315.23157	1.0
331.22720	0.3
333.24173	6.5
335.25854	0.5
349.23801	2.2
350.23737	0.4
367.24826	0.6
421.30725	0.4
435.32556	0.5
471.34933	0.5
500.20041	0.3
509.36450	0.6
513.35876	3.2
515.37976	1.0
527.37219	5.3
528.37183	0.4
531.36395	0.7
533.39728	0.5
543.36536	0.4
545.38269	1.3
551.40619	0.4
567.40332	0.6
607.43542	6.0
612.73615	0.3
625.44312	6.0
649.45526	0.3
754.42542	2.4
769.48938	0.5
806.49078	1.5
822.48718	0.7
840.48035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	7.9
65.03926	4.9
67.05494	100.0
68.05819	2.1
69.03401	7.4
69.07056	43.6
71.04967	5.3
71.08610	7.4
71.62536	2.6
73.02904	4.0
77.02984	1.7
79.05480	50.3
81.03397	9.7
81.07043	75.1
83.04961	6.8
83.08601	13.9
83.56960	1.6
85.02895	11.4
85.06523	4.5
85.10130	3.0
86.09689	5.4
87.04427	2.2
91.03931	3.6
91.05466	45.9
93.06472	3.8
93.07030	52.6
95.04955	12.0
95.08588	52.8
97.02869	6.5
97.06493	15.0
97.10162	12.8
99.08089	3.7
105.07014	37.0
107.04922	6.9
107.08580	28.2
109.06486	6.8
109.10137	49.2
111.08042	5.6
115.05396	2.0
117.06995	12.3
119.08559	26.8
121.06453	2.1
121.10127	25.3
123.08025	5.4
123.11671	6.4
125.09605	7.1
129.05470	1.9
129.06975	3.3
131.08533	18.5
133.10117	20.0
135.08047	4.0
135.11664	13.7
136.99010	1.7
137.09593	7.7
143.08527	8.3
145.10112	15.9
147.08076	2.5
147.11653	14.8
149.09598	11.2
149.13245	8.8
151.11104	2.6
155.08467	2.3
155.10551	3.0
157.10106	5.3
159.11664	12.9
161.13208	6.5
163.01112	1.7
163.11140	5.4
163.14766	3.6
169.10065	2.5
171.10147	2.2
171.11656	2.5
173.11679	11.4
173.13235	7.9
175.14825	3.1
179.14224	2.4
183.11694	2.9
184.07356	12.7
185.13266	5.2
185.67284	2.1
187.14845	4.2
189.11195	2.6
195.13701	1.9
197.13168	2.1
219.17369	3.3
227.12846	3.1
229.14310	49.6
243.21115	2.1
257.18896	4.2
259.20645	1.9
261.22128	7.0
275.20029	20.3
291.19516	6.1
293.21063	3.7
307.59033	1.9
327.28845	31.6
333.23965	2.7
335.25726	65.6
336.26126	6.1
349.23721	28.4
365.23065	4.1
431.31418	5.7
481.38766	29.4
489.35843	17.7
504.83743	2.0
513.39600	5.2
515.36591	2.1
529.38531	7.4
587.45599	2.3
609.35901	3.1
609.45050	38.2
625.44312	4.0
627.46014	7.8
643.44934	2.2
834.93414	2.1
840.51556	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	840.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08176	1.1
61.02909	4.0
65.03935	5.8
67.05495	88.6
69.03413	10.9
69.07058	41.1
70.21745	5.3
71.04973	7.0
71.08611	1.1
73.02908	2.0
77.03911	1.4
79.05481	89.1
81.03410	12.3
81.07043	100.0
82.07372	1.2
83.04968	12.4
83.08604	21.6
85.02891	5.9
85.06543	5.7
86.09694	2.7
91.05466	90.5
92.05797	2.3
93.07030	95.7
94.07352	2.7
95.04952	16.7
95.08595	60.0
97.02840	5.3
97.06506	14.4
97.10158	11.3
99.04449	2.5
99.05747	1.2
99.08077	4.2
103.05437	2.4
103.27198	1.1
105.04501	2.4
105.07014	91.8
106.07368	2.8
107.04930	9.2
107.08578	56.9
109.02860	1.6
109.06516	9.4
109.10145	28.1
111.04451	1.2
111.08048	8.2
113.09656	1.8
115.05450	4.8
116.52323	1.0
117.06998	36.9
119.08569	68.0
121.06489	5.2
121.10120	34.5
123.08073	8.4
123.11686	9.7
124.99966	1.9
125.09606	7.3
127.03887	3.0
128.06209	5.0
129.06979	22.0
129.07889	1.7
130.07811	2.1
131.07565	2.4
131.08546	44.4
133.06461	2.4
133.10110	56.1
135.08046	6.6
135.11664	24.0
137.09583	3.4
137.13257	1.3
139.11157	1.8
141.06967	7.1
142.07780	4.6
143.08536	25.7
143.65390	1.2
144.09288	1.6
145.06447	1.7
145.10104	42.4
145.11269	2.1
147.08009	3.1
147.11667	39.3
148.05589	1.2
148.12080	1.3
149.09590	11.9
149.13229	15.4
151.11172	3.0
153.09048	1.9
155.08546	12.9
156.09323	2.1
157.10107	23.5
159.08084	2.5
159.11670	34.1
161.09637	4.4
161.13226	18.4
163.11162	9.4
163.14816	3.8
165.06885	1.4
165.12714	2.9
167.08565	6.0
168.09306	2.1
169.10091	15.5
170.10872	2.0
171.11652	20.7
173.04405	2.6
173.09625	1.9
173.11774	1.8
173.13217	17.1
175.11168	2.9
175.14803	9.0
177.12726	4.3
179.14310	2.5
180.09288	1.9
181.10143	7.4
181.12209	1.6
183.11639	11.8
184.07329	8.6
185.09554	1.7
185.13229	17.1
187.11237	2.4
187.14777	5.7
189.11217	3.2
189.12737	2.9
189.16403	2.0
191.14397	1.2
193.10094	3.6
195.11700	8.5
195.13680	2.1
197.13187	9.3
199.11180	2.4
199.14815	8.6
201.16354	3.1
203.14243	2.4
207.11676	4.4
209.13242	5.8
211.14781	5.1
213.16397	4.6
215.17973	2.1
217.15926	2.3
219.11610	2.0
221.13286	3.4
223.14803	4.5
225.16318	2.6
227.12746	4.5
227.17944	2.2
229.14137	1.8
229.19424	3.3
231.17422	1.8
231.21033	4.9
235.14769	2.5
237.16429	2.6
239.17937	3.9
241.19481	13.8
243.21161	1.2
245.13434	1.4
245.19061	1.3
247.20615	1.8
249.16370	1.6
255.15758	9.6
257.19009	6.0
259.20535	42.3
260.20853	2.4
261.22134	2.3
267.15863	4.3
269.17374	12.0
273.18536	3.1
275.20044	20.0
276.20425	2.6
277.21704	2.8
283.20590	1.9
291.19608	1.7
293.20987	2.0
297.22125	2.1
299.23706	1.3
301.21567	1.6
311.23569	1.6
313.21738	2.0
315.23181	7.1
325.21497	1.5
325.25620	1.1
327.23233	1.6
331.22650	3.2
333.24203	46.1
333.28195	2.2
334.24557	2.8
335.26035	2.0
341.24710	1.1
345.24622	1.2
349.23724	16.5
350.24152	2.0
353.24225	1.1
365.23972	2.2
365.28345	1.6
367.24802	4.3
369.23950	1.4
407.29266	1.2
413.21542	1.7
417.31491	2.4
421.31061	3.2
433.29984	2.0
435.32526	5.7
439.32162	1.3
451.32169	1.4
453.33661	4.8
471.34680	2.4
484.06454	1.3
487.34106	1.9
489.36026	2.8
495.34799	2.7
497.36923	1.6
499.34256	1.4
501.35135	2.3
509.36136	4.7
513.35718	28.0
514.36163	2.5
515.38434	6.4
517.38733	1.3
525.35217	2.5
527.37256	42.9
528.37506	5.4
531.36542	4.9
533.39746	4.8
539.37683	1.3
543.36255	1.5
545.38330	8.4
551.40533	2.2
555.36707	1.3
567.40222	3.4
589.42365	1.6
597.44696	2.1
607.43536	31.8
608.43372	5.4
625.44501	33.0
626.44659	5.3
635.38379	1.4
643.44629	1.2
647.37726	1.7
653.39941	1.3
671.41083	2.1
689.42401	3.0
751.47070	1.4
769.48407	2.3
791.35944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	0.8
59.07375	0.4
60.08161	5.8
60.12903	0.3
61.02914	0.4
63.17071	0.3
65.03920	0.7
67.05496	14.4
69.03427	1.5
69.07058	5.0
71.04966	1.0
71.07361	2.8
71.63225	0.4
74.09662	0.3
77.03888	0.3
79.05483	14.2
81.03395	1.1
81.07048	13.5
83.04960	0.9
83.08607	4.9
85.02877	0.9
85.06533	0.8
86.09694	28.5
87.10003	0.6
91.05469	12.9
91.08888	0.3
92.05774	0.3
93.07029	13.3
95.04960	2.0
95.08598	8.5
95.09209	0.4
97.02863	0.8
97.06524	2.6
97.10159	6.5
98.98454	3.0
99.08098	0.3
103.05427	0.6
104.10725	3.2
105.07021	13.3
107.04922	1.2
107.08582	12.4
109.06489	1.1
109.10148	5.0
111.08067	0.8
115.05399	0.8
117.06998	4.8
119.08562	11.4
120.08901	0.5
121.06493	0.9
121.10136	4.8
123.08058	0.6
123.11688	2.7
124.99989	18.2
125.09618	6.1
128.06157	0.7
129.06995	4.2
130.07751	0.4
131.08556	7.8
133.10110	8.9
135.08034	1.4
135.11685	3.6
137.09590	0.5
137.13161	0.4
139.11113	0.4
141.06958	1.4
142.07744	0.9
143.08554	4.5
145.10112	6.0
147.07997	0.6
147.11678	6.2
149.09601	1.7
149.13240	1.8
151.11125	0.5
153.09053	0.6
155.08533	2.4
156.09212	0.5
157.10092	4.0
159.08008	0.5
159.11681	5.6
161.09554	0.6
161.13240	3.2
163.11159	1.1
163.14818	0.5
163.54904	0.3
165.07037	0.5
167.08482	0.9
169.10086	2.6
169.12361	0.3
171.11662	3.9
173.09596	0.5
173.13194	2.8
175.14798	1.6
179.14180	0.4
181.10103	1.3
183.11671	2.8
184.07317	100.0
185.07681	2.3
185.13217	2.4
187.13321	0.6
187.14798	1.8
189.11172	3.3
189.12730	0.6
193.10188	0.5
195.11679	1.9
195.13347	0.3
197.13242	2.3
199.11221	0.4
199.14879	2.0
201.16331	0.9
207.11620	0.4
209.13242	1.4
211.14761	1.7
213.16394	0.5
215.17715	0.5
215.79662	0.3
219.17360	0.4
221.13261	1.0
221.15291	0.4
223.14804	1.1
224.15411	0.4
225.16296	0.6
227.12741	4.9
227.17860	0.8
229.19603	0.4
235.14665	0.5
237.16402	0.4
239.17953	1.4
241.19518	1.6
243.08623	0.3
243.15855	1.6
245.13840	0.7
249.16499	0.4
251.17892	0.6
255.21069	0.4
257.19012	2.0
259.20511	5.7
267.20935	0.5
273.58496	0.3
275.20090	3.7
283.20752	0.6
295.24179	0.4
297.21826	0.6
313.21619	0.6
315.23126	0.7
321.22128	0.3
331.22620	0.6
333.24280	5.2
335.26022	0.5
349.23712	4.3
350.13742	0.4
350.23935	0.3
351.25363	0.4
353.24631	0.3
363.26254	0.4
365.28394	2.7
367.22470	0.4
381.31735	0.7
383.29309	1.1
395.29550	0.4
403.29532	0.4
421.30933	0.9
439.31772	1.5
463.30728	0.4
463.81638	0.4
495.34567	0.7
503.33618	1.1
505.33936	0.4
513.35815	3.5
514.36572	0.4
515.38873	1.6
517.35474	0.4
533.39819	2.2
537.35577	0.4
539.37189	0.4
543.36517	0.6
551.41132	0.7
589.42096	0.7
607.43500	15.4
608.43872	1.5
625.44568	25.3
626.44788	3.2
686.40381	0.5
712.41895	0.6
745.75897	0.4
754.42542	0.9
806.49316	0.4
822.48541	0.7
830.24762	0.3
840.50299	3.0
841.48810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05019	0.8
61.02919	5.2
61.45770	0.8
65.03937	5.8
67.05494	100.0
69.03426	6.6
69.07056	60.8
71.04987	6.2
73.02905	2.4
77.03916	1.6
79.05480	71.0
80.06254	1.0
81.03407	7.3
81.07043	87.5
83.04970	9.3
83.08606	14.0
85.02893	6.8
85.06549	3.4
86.09699	1.1
91.03949	2.5
91.05468	59.9
93.07029	77.6
95.01318	0.8
95.04953	16.0
95.05535	1.0
95.08592	72.7
97.02872	5.8
97.06518	15.0
97.10149	7.0
99.04457	1.8
99.08077	3.5
101.06020	0.7
103.05464	1.5
105.04501	0.9
105.07015	44.6
106.07367	0.8
107.04932	9.0
107.05576	0.8
107.08578	41.5
109.02882	1.7
109.06510	7.3
109.10141	41.8
111.08051	5.3
111.11718	1.1
113.05965	0.8
113.09658	1.6
115.05444	1.1
115.07549	1.0
117.06996	14.8
119.08561	37.3
121.06508	3.4
121.10121	33.4
123.08056	5.0
123.11668	6.9
125.09622	8.2
127.03924	2.0
128.06212	1.1
129.05493	2.0
129.06966	5.6
131.08545	24.8
133.06490	2.1
133.10110	29.6
135.08028	4.4
135.11667	18.7
135.12677	1.0
137.09589	12.6
137.13246	1.5
139.11195	1.6
141.07011	2.4
142.07776	1.7
143.08542	6.7
145.06520	1.0
145.10100	18.3
147.08060	1.6
147.11665	15.5
149.09605	17.4
149.13237	9.1
151.11198	3.4
153.09085	1.3
153.12808	1.4
155.08594	2.4
155.10643	1.7
157.08876	1.1
157.10139	4.9
159.08095	0.9
159.11673	15.5
161.09616	2.5
161.13225	10.4
163.11148	7.3
163.14859	3.2
165.09163	1.8
167.10733	1.6
169.10118	2.3
169.94672	0.7
171.10219	1.9
171.11716	6.1
173.09813	0.6
173.10284	0.9
173.11757	6.0
173.13304	9.6
175.11212	2.6
175.14870	3.3
177.12775	3.3
179.14311	4.4
183.11755	3.2
184.07416	2.4
184.13348	0.8
185.13289	3.1
187.11212	2.0
187.14742	3.7
189.11293	3.0
189.12801	1.2
189.16443	1.0
191.14325	1.0
193.12308	1.1
195.11743	0.8
195.13766	1.2
197.13301	1.9
199.14883	2.4
199.19531	0.7
201.12720	1.0
201.16449	1.8
205.12477	0.9
207.17482	0.9
211.14911	1.5
213.16400	1.6
215.14583	1.0
215.17921	1.2
219.17538	1.0
223.13298	1.6
223.16977	0.8
227.12747	6.2
227.18015	1.2
229.14247	6.8
229.19458	1.2
239.17909	2.1
241.19676	1.2
243.21187	3.0
247.20537	3.6
253.18037	0.9
257.18921	6.4
259.20648	2.6
261.22079	9.4
267.15973	2.7
269.17657	0.9
273.18372	3.6
274.08524	0.8
275.20023	31.3
277.21658	1.2
291.19592	5.6
293.21088	3.9
300.13730	0.8
317.24783	1.5
331.22888	1.3
333.24393	2.3
335.25751	71.6
336.26199	1.7
337.27478	1.0
347.22629	0.8
349.23679	46.7
350.24188	0.9
351.25378	1.5
363.25418	0.9
365.23215	3.5
383.24213	2.4
423.33005	1.0
431.31424	4.0
439.35684	1.1
489.35614	23.7
490.36633	0.7
503.37372	2.0
512.24115	0.9
513.39307	7.6
514.40497	0.8
515.37213	4.3
529.39111	3.7
545.37762	1.1
557.37750	0.9
558.41602	0.8
609.45056	52.7
610.45563	2.4
625.44647	1.1
627.46094	13.0
628.46051	0.9
643.46332	1.2
678.49420	1.1
703.37360	0.8
840.54156	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5447
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58563	0.9
61.02904	4.3
65.03925	5.1
67.05493	89.1
68.05814	1.2
69.03416	18.4
69.07056	56.1
70.07394	1.1
71.01347	1.2
71.04981	22.7
73.02909	6.8
73.30956	1.0
77.03923	2.0
78.07754	1.1
79.05479	78.5
80.05811	2.0
81.03402	21.5
81.07042	86.9
83.04968	13.3
83.08609	12.7
85.02882	10.5
85.06512	5.7
86.09686	1.9
91.03926	1.7
91.05466	55.1
92.05804	1.3
93.07029	81.7
95.04958	16.9
95.08591	58.2
96.08905	1.6
97.02877	14.6
97.06513	92.4
97.10130	3.9
99.04447	4.5
99.08075	5.9
103.05425	1.3
105.03386	1.6
105.04480	1.7
105.07015	40.7
107.00800	0.9
107.04926	10.0
107.08577	42.0
109.02876	5.6
109.06496	22.7
109.10136	21.2
111.04420	2.5
111.08060	8.7
113.05980	2.4
115.05446	2.9
115.06773	1.8
115.07549	30.7
117.06996	20.5
119.08560	30.8
121.06496	9.4
121.09296	2.0
121.10126	30.5
121.11001	1.6
123.04397	1.4
123.08064	5.5
123.11670	6.1
125.09618	3.1
127.03912	9.6
127.07545	2.0
128.06171	3.0
129.05464	2.5
129.06966	9.0
130.07770	1.3
131.08545	25.5
132.08844	1.1
133.06453	4.2
133.10100	25.5
135.08023	10.4
135.11673	17.5
137.05910	1.7
137.09554	3.0
139.07533	1.4
139.11156	1.5
141.06894	2.1
143.08522	8.8
145.06474	2.0
145.10110	15.4
147.08017	6.0
147.11658	12.5
148.21533	1.0
149.09578	6.7
149.13226	11.5
151.11108	5.2
155.08545	3.8
157.10081	8.4
159.08052	2.6
159.11650	14.6
161.09554	7.5
161.13231	5.7
163.11153	4.0
163.14778	1.7
165.09065	1.9
165.12706	1.5
167.08513	1.6
169.10062	3.5
171.11662	5.4
173.04425	9.2
173.09576	3.1
173.13222	7.5
175.11172	5.0
175.14806	4.2
177.12680	5.0
181.10095	2.1
183.11679	3.0
184.07272	6.8
185.13200	4.3
187.14822	3.6
187.74059	1.1
189.12718	1.4
193.12212	1.5
195.11937	1.0
195.13747	5.0
197.13196	3.5
199.14789	3.2
201.12706	1.5
201.16354	1.2
203.14259	1.8
209.13251	2.0
213.16484	2.1
215.14206	2.5
215.18016	1.3
217.15869	9.3
217.19391	1.5
219.13857	1.7
220.47021	1.0
221.15292	2.5
227.12764	1.9
227.17926	2.5
229.14262	1.3
233.15279	1.5
237.16469	1.8
241.10634	1.4
241.19514	1.3
243.21118	3.0
245.18985	2.9
253.14348	6.1
255.15610	1.6
255.17729	2.1
257.18839	1.9
259.20557	4.1
261.22116	9.5
263.20044	1.3
267.15823	3.3
269.17392	16.4
273.18466	30.4
273.48203	1.2
275.16522	1.1
275.20007	4.0
277.21445	1.4
279.15839	1.3
291.19540	13.5
307.18939	2.6
317.24673	1.8
333.24017	1.8
335.25751	100.0
336.26199	3.7
347.22159	12.2
349.23904	1.4
365.23206	14.2
383.24054	2.1
391.28159	1.8
501.35498	1.2
515.37488	4.2
527.37311	1.3
529.38770	35.3
530.39246	3.0
531.36841	2.0
539.36981	1.2
545.38312	1.9
555.40021	1.9
557.38116	3.4
567.39911	4.0
581.29700	1.1
585.41193	2.1
607.43475	9.0
609.44305	1.3
625.44470	24.3
626.44440	2.3
643.45795	8.8
682.16705	1.2
787.48615	1.9
841.46405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	5.2
63.83085	1.6
64.51569	1.6
65.03922	5.4
67.05494	96.7
67.58282	1.9
68.05817	2.6
69.03414	9.3
69.06714	2.9
69.07057	42.3
71.01310	2.4
71.04978	6.1
71.08626	2.6
73.02902	3.5
79.05479	88.9
79.05949	4.2
80.05796	2.3
81.03398	13.2
81.07040	100.0
82.07332	3.1
83.04973	12.3
83.08597	17.8
84.53700	1.6
85.02901	9.6
85.06552	3.6
86.09683	3.9
91.03928	2.5
91.05466	94.3
92.05788	3.9
93.07030	93.0
94.07340	3.4
94.35803	1.6
95.04955	16.5
95.08591	64.9
97.02877	8.4
97.06506	12.4
97.10136	9.5
97.46275	1.5
98.21499	4.2
99.04432	3.4
99.08064	6.1
103.05433	3.1
105.07013	93.8
106.07336	4.7
107.04929	7.4
107.08576	56.8
108.08861	2.2
109.06496	8.8
109.10136	31.3
110.10442	2.0
111.04427	2.2
111.08054	8.4
115.05418	4.7
116.06259	2.1
117.06997	42.5
119.08560	74.5
120.08910	2.2
121.06489	4.0
121.10120	33.7
123.08041	5.6
123.11675	7.2
125.09605	7.7
127.03869	4.4
128.06207	7.3
129.05487	3.8
129.06987	23.8
130.07697	3.9
131.08545	49.5
132.08926	2.0
133.06583	2.7
133.10110	51.2
134.10420	4.9
135.08026	5.3
135.11674	22.4
137.09587	2.6
139.11139	2.9
141.06979	6.6
142.07767	5.7
143.08546	28.9
145.06435	3.8
145.09021	3.3
145.10101	44.5
147.08038	3.9
147.11665	40.5
148.11986	2.4
149.09573	9.0
149.13214	10.6
151.11156	5.2
155.08528	14.5
156.09270	2.9
157.10104	25.7
159.08055	2.6
159.11662	32.3
159.12846	3.1
161.09616	3.8
161.13220	19.4
163.11012	3.7
163.14699	2.9
165.12761	2.1
167.08527	4.9
168.09303	2.0
169.10104	17.3
171.11670	25.9
172.12074	2.2
173.04286	2.0
173.09608	2.4
173.11824	3.3
173.13171	19.3
175.11186	3.7
175.14781	4.8
177.12642	3.6
179.14258	3.8
181.10106	10.7
183.11655	17.4
184.07326	8.4
185.09633	2.2
185.13232	18.6
187.14771	6.6
189.11125	4.0
189.12672	2.3
189.16364	3.1
193.10112	2.4
194.10805	2.2
195.11658	8.3
195.13744	3.9
197.13182	12.8
199.14806	9.4
201.16324	5.0
207.11668	4.0
209.13263	8.1
211.14769	6.6
213.16350	5.3
215.17909	3.4
221.13106	2.5
223.14796	3.9
225.16266	3.8
227.17982	3.3
229.14284	5.4
229.69391	2.2
231.17332	2.0
231.21014	2.3
232.17767	2.0
237.16385	5.5
239.17882	4.8
241.19543	12.4
247.14813	2.1
251.17958	4.1
253.14366	3.3
253.19519	2.8
254.14513	2.6
257.18970	6.2
259.20535	25.7
260.20959	3.1
261.21832	2.5
267.15918	2.7
269.17380	8.2
271.20535	2.0
273.18509	3.7
275.20169	9.0
275.22794	1.7
291.19595	3.3
295.20352	2.5
303.23187	2.4
311.23456	2.0
313.21545	3.2
315.23026	6.1
323.23584	1.9
331.22488	2.6
333.24222	22.9
334.24557	3.5
335.25406	5.7
337.25089	2.3
349.24057	3.2
353.23901	1.9
417.31265	3.2
435.32584	4.5
453.33185	2.5
513.35547	5.3
517.40063	3.3
517.54663	1.9
525.36011	2.6
527.37183	19.7
535.41174	3.2
591.43817	6.8
607.43359	8.6
609.36157	3.1
609.45123	43.8
610.45313	3.9
625.44299	11.3
863.32532	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08175	1.0
61.02911	4.1
65.03934	4.4
67.05498	92.0
69.03419	15.3
69.07062	55.7
69.07448	2.5
69.42609	4.0
69.43041	5.2
71.04987	22.4
71.77470	0.8
73.02911	5.7
73.06574	1.2
77.03923	1.5
79.05482	78.9
79.11182	1.0
80.05814	1.0
81.02970	1.4
81.03410	20.6
81.07047	81.0
83.04977	12.9
83.08610	14.3
85.02888	10.8
85.06547	4.9
86.09683	3.9
91.03928	2.0
91.05469	54.2
93.07033	78.4
95.04956	17.7
95.08597	51.7
96.08904	1.2
97.02881	10.6
97.06519	100.0
97.10158	4.1
99.04435	3.0
99.08077	6.5
103.05434	2.3
105.07018	35.7
106.07346	1.4
107.04936	9.2
107.08578	38.8
109.02824	4.5
109.06506	22.9
109.10143	19.9
111.04434	3.0
111.08086	8.0
113.05982	2.5
115.05439	3.3
115.07557	31.9
117.07001	22.9
119.04909	2.1
119.08565	27.0
121.06509	6.9
121.10135	23.2
123.08080	6.8
123.11690	6.0
124.99964	2.6
125.05985	1.1
125.09612	2.7
127.03915	6.7
127.07562	1.4
128.06226	2.8
129.05486	2.3
129.06998	7.3
131.04909	1.9
131.07053	1.3
131.08549	25.3
133.06473	3.7
133.10117	25.2
135.08037	10.4
135.11676	16.6
136.40382	0.9
137.09575	4.0
139.07516	2.0
141.06926	1.9
142.07727	2.4
143.08537	8.0
143.95116	1.1
145.06490	3.0
145.10103	16.6
147.08020	5.2
147.11665	12.1
149.09622	6.8
149.13219	11.7
151.11168	3.7
155.08545	2.9
157.06670	1.1
157.10124	9.4
159.08035	3.9
159.11687	14.1
161.09605	6.8
161.13210	5.4
163.07593	1.1
163.11159	4.2
163.14771	3.3
169.10120	3.1
171.08104	1.3
171.11658	6.8
173.04446	7.5
173.09567	3.4
173.13271	5.5
175.11162	4.4
175.14879	3.3
177.12720	5.5
183.11673	3.2
184.07314	14.8
185.13243	4.4
187.11258	2.5
187.14801	3.4
189.11183	1.7
189.12752	3.0
189.16315	2.2
191.14325	2.0
193.12155	1.1
195.11812	2.0
195.13786	5.7
197.13322	1.9
199.11208	1.4
199.14813	3.0
201.07544	3.0
201.12746	2.3
203.14291	1.2
205.12270	1.3
211.14912	1.6
217.15886	9.6
219.13737	1.4
219.17404	1.3
221.15373	2.9
223.13222	1.5
227.12766	1.8
227.17894	2.0
233.15340	3.9
235.16934	1.0
237.16479	1.3
239.02594	1.0
241.10751	2.0
241.19650	1.5
243.21140	2.0
245.18944	5.3
253.14311	6.0
255.17543	2.3
259.20554	3.9
261.22156	10.3
263.20038	1.9
267.16037	3.1
269.17429	21.0
273.18469	33.4
275.20132	3.7
277.21497	1.2
285.14819	1.2
291.19519	18.6
292.19818	1.0
295.18890	1.2
297.17007	1.4
307.18906	4.0
309.20712	1.4
317.24973	1.7
323.18585	1.4
329.21072	1.3
333.24384	2.0
335.25766	80.0
336.26099	3.4
347.22125	12.0
349.23724	1.0
365.23199	12.1
383.24274	3.7
391.28314	1.7
515.37347	4.3
527.37268	1.6
529.38837	30.6
531.36554	1.5
539.36926	1.5
551.41016	1.3
555.40240	1.3
557.38257	1.8
567.40326	1.8
585.41119	1.9
602.25793	1.0
607.43469	7.6
625.44666	20.8
643.45428	7.6
841.45819	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	838.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	1.1
60.16159	0.8
63.02362	0.8
65.03912	3.0
67.05492	51.7
69.03402	4.4
69.07054	40.7
70.21940	1.9
70.22341	1.4
71.04976	4.5
71.08633	1.0
73.06547	1.1
79.05477	47.7
81.03400	13.1
81.07040	71.9
82.07372	0.8
83.04964	11.8
83.08601	10.9
85.02872	2.2
85.06536	3.9
85.37059	1.1
86.09688	2.0
87.04447	3.7
91.05462	65.6
92.05811	1.3
93.07023	47.5
95.01305	9.3
95.04943	13.5
95.08585	37.0
97.02874	2.6
97.05893	1.9
97.06509	32.2
97.10157	5.2
97.54202	0.7
99.04406	1.3
99.08054	1.8
103.05441	1.8
105.04498	1.3
105.07009	79.6
106.07319	1.3
107.04934	19.3
107.08573	28.5
109.02856	1.7
109.06496	6.0
109.10135	12.8
111.04394	2.0
111.08058	4.8
113.05972	0.8
113.09620	1.6
115.05402	1.7
117.06991	20.0
118.07379	0.8
119.08557	42.8
121.06501	4.8
121.10120	12.8
123.04379	1.4
123.08069	5.6
123.11677	4.1
124.99965	2.0
125.09617	3.8
127.03921	1.1
128.06215	2.0
129.06992	4.7
131.08543	24.8
133.06479	1.8
133.10104	46.4
135.08032	6.8
135.11662	14.0
136.06166	1.2
137.09563	4.1
139.07516	1.5
141.06958	2.5
143.08574	5.8
145.06441	3.2
145.10088	21.4
147.02954	0.9
147.08026	2.1
147.11659	19.7
149.09579	12.1
149.13235	9.4
151.11162	3.5
155.08495	2.4
157.10110	4.6
159.11659	14.8
161.09612	1.1
161.13210	7.4
163.11145	8.4
165.09099	3.3
165.12711	1.3
169.10104	4.0
171.11667	5.2
173.04300	1.2
173.13235	6.3
175.11200	1.2
177.12704	6.0
179.14299	14.1
181.10086	0.9
181.12178	0.9
183.11658	2.5
184.07327	6.3
185.13252	1.0
187.11124	2.9
187.14778	2.0
189.11102	1.1
189.12746	1.0
195.13745	2.9
197.13173	2.3
201.12718	1.0
205.12230	1.1
213.16374	1.0
219.13782	1.2
219.17397	1.5
227.12709	2.8
229.14224	1.1
229.19424	1.9
239.17928	2.7
241.19481	1.2
247.16612	1.0
247.20575	2.9
251.16376	2.1
253.14360	2.0
255.15836	10.5
257.18939	9.9
259.20551	1.7
267.15881	1.6
269.17429	23.5
275.20004	88.8
276.20364	2.7
279.15887	3.4
291.19586	2.4
293.21106	7.0
313.21222	1.2
331.22583	3.0
333.24139	2.7
349.23657	65.0
350.23993	2.0
365.23416	1.6
367.24719	5.2
393.72037	0.9
413.21597	3.5
419.24023	1.2
493.28250	1.2
503.33511	1.7
511.34531	1.4
519.32971	1.3
525.35474	1.2
527.37061	1.5
529.35175	32.4
543.36700	100.0
544.37115	4.8
546.93860	1.0
583.39691	1.9
595.43097	1.8
605.42297	1.9
623.42926	48.2
624.43274	3.1
641.44110	11.5
687.40729	4.2
768.06934	0.9
838.54413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5293
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	1.9
60.80896	1.0
61.02905	2.0
64.10600	1.0
65.03918	5.0
67.05496	71.7
69.03413	10.5
69.07060	44.7
69.55697	4.4
69.56128	4.7
71.04979	5.3
75.52889	0.9
77.03869	1.2
79.05481	65.8
81.03416	11.1
81.07044	65.5
83.04987	8.7
83.08610	19.0
85.02853	1.8
85.06531	5.1
86.09687	11.3
87.04449	4.6
91.05468	73.5
93.07030	75.8
94.07388	1.1
95.01328	3.0
95.04957	16.4
95.08595	45.1
96.08914	1.6
97.02873	13.1
97.06519	11.7
97.10156	22.7
99.08082	4.6
103.05479	2.6
105.04557	1.9
105.07016	75.8
107.04934	11.3
107.08579	43.2
107.52715	0.9
109.02936	1.5
109.06512	8.6
109.10139	22.2
111.04469	1.9
111.08064	5.2
115.05460	3.6
116.06205	1.1
117.06996	26.6
117.74699	1.1
119.04951	2.0
119.08564	60.8
121.06497	5.4
121.10126	27.9
123.04402	1.1
123.08057	6.4
123.11689	3.9
124.99992	7.5
125.09616	19.5
128.06230	3.7
128.96344	1.1
129.05473	1.8
129.06987	19.0
130.07742	1.6
131.08553	34.3
131.09506	2.2
133.06506	4.7
133.10114	47.3
135.07997	7.6
135.11687	16.7
137.09587	5.5
139.07600	1.2
139.11185	1.6
141.06981	4.0
142.07724	3.2
143.08540	17.8
144.09296	1.2
145.06471	1.1
145.10101	27.3
147.08017	6.8
147.11664	35.7
149.09596	8.3
149.13249	9.3
151.11148	2.9
153.06978	1.1
153.09084	1.6
155.08559	7.1
156.09386	1.4
157.10114	13.4
159.08083	1.1
159.11661	22.1
161.09608	3.8
161.13228	20.9
162.10313	1.3
163.11171	5.8
163.14838	2.2
165.09071	1.6
165.12726	1.2
167.08556	3.2
169.10074	9.9
171.08064	1.5
171.11670	15.4
173.09537	1.6
173.11873	2.3
173.13248	11.0
175.07539	1.6
175.11124	5.2
175.14801	10.5
177.12715	3.5
179.08492	1.2
181.10083	3.7
183.11694	4.4
184.07315	34.1
185.09660	1.4
185.13237	10.7
187.11069	1.6
187.13335	1.1
187.14796	4.5
189.11217	8.6
189.12660	2.6
193.10278	1.0
193.12238	2.0
195.11725	2.8
195.13802	3.1
197.13303	3.9
199.14793	6.9
203.14293	1.1
205.12244	2.6
209.13300	3.0
211.14903	2.1
213.16426	3.7
217.15927	2.0
221.13351	1.9
223.13217	21.7
225.16408	2.0
227.12711	12.8
227.17906	2.4
229.14371	1.3
229.19489	1.3
231.17407	2.1
231.21075	3.4
233.15254	1.4
237.16351	1.4
239.17949	2.8
241.19482	23.2
245.13641	1.3
245.18964	1.9
249.14824	3.4
257.18860	5.5
259.20532	50.1
260.20901	1.5
261.22125	1.3
263.20200	1.3
267.15948	2.8
269.17523	4.0
273.18494	11.9
275.20056	19.9
283.06247	2.8
287.19754	1.5
291.19498	100.0
292.19992	1.9
297.22171	1.9
315.23160	8.3
333.24170	60.9
335.25897	1.4
349.23721	15.1
357.24451	1.6
363.26892	1.2
365.23199	44.0
379.29984	5.7
433.30936	1.2
437.30472	1.3
451.31711	1.8
459.31140	1.0
469.32990	1.9
511.34360	1.7
513.36743	2.4
525.35828	12.6
529.34656	5.1
531.38092	4.4
541.35291	1.4
543.36743	27.7
544.36975	1.4
549.39532	2.4
605.41949	9.8
623.42950	75.0
624.43378	2.0
641.43573	12.1
692.22748	1.3
836.86267	1.3
838.54114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	4.6
67.05492	76.2
68.05825	1.0
69.03400	6.1
69.07051	25.0
69.35847	10.8
71.04985	7.6
71.08607	1.7
77.03915	1.5
79.05476	60.9
79.26236	1.2
81.03411	6.4
81.07040	83.8
82.07352	1.5
83.04968	14.5
83.08604	10.0
85.02898	3.1
85.06532	7.1
87.04470	1.5
91.05463	94.7
92.05764	1.6
93.07023	68.0
94.07342	1.4
95.04948	18.7
95.08588	40.9
97.02892	2.9
97.06515	9.2
97.10130	5.5
99.04446	2.6
99.08057	2.4
102.25245	1.0
103.03965	1.2
103.05442	2.9
104.06219	1.0
105.07011	91.4
106.07351	1.5
107.04927	9.9
107.08570	52.7
107.49587	1.1
109.02848	1.0
109.06498	12.0
109.10133	55.5
111.04461	1.4
111.08067	5.1
113.05980	3.1
113.09619	1.3
115.05430	3.1
117.06991	22.9
119.04909	1.1
119.08559	52.1
121.06477	7.5
121.10115	22.6
123.04434	1.3
123.08046	6.9
123.11702	9.9
125.05941	1.4
125.09615	3.4
127.07527	2.9
128.06181	4.2
129.06973	13.1
131.08545	33.5
133.06453	3.8
133.10106	100.0
134.10439	2.0
135.08012	8.8
135.11659	19.9
137.09616	5.4
139.07544	1.9
141.06961	3.0
142.07758	2.7
143.08525	17.9
144.09232	1.8
145.06453	1.8
145.08900	1.2
145.10085	26.5
147.08032	5.3
147.11659	34.3
149.09616	7.0
149.13202	8.3
151.09930	1.9
151.11148	33.1
153.09044	2.0
154.07671	1.1
155.08557	3.1
156.09334	1.3
157.10107	14.2
159.08008	4.7
159.11652	19.6
161.09569	7.5
161.13223	19.2
163.11166	4.9
163.14830	1.9
165.08925	1.1
165.12701	1.5
169.10136	5.5
169.12218	4.7
171.08000	1.1
171.11656	14.5
173.09648	2.3
173.13226	12.2
175.11131	3.8
175.14804	8.6
177.12755	3.1
179.08496	1.5
179.10727	1.7
181.10071	2.6
183.11670	4.5
184.07353	2.5
185.09499	1.4
185.13226	12.7
187.11130	2.2
187.14799	3.6
189.12714	2.5
189.16354	1.3
193.10149	1.5
195.11661	2.9
197.13237	4.4
199.11227	2.1
199.14906	4.9
201.16353	2.5
203.14201	2.8
209.13225	2.4
211.14774	1.9
213.12677	1.3
213.16400	3.1
215.12749	4.7
215.17873	1.3
217.12343	1.2
217.15883	2.2
219.17564	1.1
223.14899	1.7
225.14610	1.4
227.17946	2.6
229.14174	1.7
229.19611	1.1
231.17378	1.8
231.21077	5.1
237.16544	1.7
239.17982	2.2
241.19443	22.6
245.18910	4.0
253.14296	81.5
254.14568	2.5
255.17482	2.4
257.18912	4.1
259.20529	56.7
263.20044	3.9
271.15411	4.5
273.18430	16.7
275.20062	3.9
287.19855	1.8
289.17896	4.9
289.21313	1.4
291.19455	20.8
297.22012	2.0
309.20566	1.6
313.21426	3.0
315.23099	8.3
333.24164	51.8
334.24515	2.4
335.25787	5.0
347.22064	3.8
353.28470	3.4
363.21658	2.9
365.23145	36.6
366.23578	1.5
371.29175	1.4
409.31009	2.5
419.29297	1.7
427.32251	1.3
433.30798	1.6
437.30508	5.0
455.31311	4.8
483.34311	1.6
487.34009	1.5
501.35703	5.8
503.38889	1.5
511.34116	19.7
513.36591	2.3
525.35449	2.3
529.35126	23.0
530.35474	3.1
531.38220	6.9
543.36481	1.3
549.38953	4.7
567.40240	2.0
595.43060	2.9
605.41748	12.8
606.42535	1.6
623.42957	54.5
624.43201	4.6
641.43890	11.5
642.44061	1.4
764.64276	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04980	1.1
61.02898	0.9
65.03912	4.5
67.05492	59.7
69.03415	5.4
69.07056	45.7
71.04971	3.9
71.08617	1.6
71.23230	2.3
73.06557	1.0
77.03903	1.1
79.05476	61.9
81.03400	15.4
81.07040	86.5
83.04964	15.9
83.08597	13.3
85.02888	2.6
85.06517	3.5
86.09678	1.1
87.04458	2.3
91.05463	80.5
92.05806	1.0
93.07024	70.9
95.01310	9.0
95.04951	17.7
95.08587	46.6
97.02865	2.5
97.06514	32.9
97.10149	5.5
99.04440	1.5
99.08057	2.8
103.05461	2.9
105.04523	2.0
105.07011	100.0
106.07313	2.0
107.04943	25.2
107.08573	35.0
109.02871	2.0
109.06512	6.6
109.10136	15.6
111.04390	1.2
111.08052	5.9
113.09639	2.6
115.05456	2.8
117.07000	27.7
119.04934	1.7
119.08558	60.8
120.08937	1.2
121.06486	8.5
121.10115	17.5
121.10938	0.6
123.04409	1.9
123.08035	6.3
123.11685	4.2
125.09615	4.6
127.03895	2.3
128.06148	2.3
129.05460	2.7
129.06999	9.3
130.07796	2.0
131.04895	1.1
131.08545	38.3
133.06461	3.2
133.10106	58.5
135.08031	6.2
135.11653	13.8
137.09589	5.2
139.07512	1.6
139.11127	1.1
141.06946	2.7
143.08551	8.3
145.06473	2.9
145.10088	30.5
147.08015	2.1
147.11662	30.0
149.09593	11.7
149.13223	10.5
151.11171	3.8
153.09166	1.3
155.08543	4.0
157.10107	6.7
159.08038	2.7
159.11662	21.1
161.09621	1.5
161.13213	13.7
163.11162	8.7
165.09138	2.9
169.10129	4.7
171.11636	6.5
173.04292	1.1
173.09584	1.6
173.13200	7.6
175.11183	3.7
175.14819	3.5
177.12733	5.7
179.14273	21.9
179.15794	1.8
181.10146	1.0
183.11626	4.8
184.07320	4.3
185.13258	3.4
187.11127	5.5
187.14793	2.4
189.12694	1.8
189.16185	0.9
191.14110	1.2
193.12215	1.3
195.13799	3.3
197.13292	2.3
199.14833	2.2
201.16415	1.4
205.12268	1.1
213.16400	1.3
215.17911	2.2
219.13759	1.4
219.17424	2.1
227.12752	1.6
229.19498	2.7
231.20964	1.4
233.15349	1.3
233.19051	1.5
239.17924	3.9
241.14255	1.2
241.19475	6.5
247.20590	4.0
251.16281	1.1
257.18939	12.7
259.20544	10.8
261.22052	0.9
269.17398	14.7
271.16806	1.1
275.20001	99.2
276.20355	4.1
277.21463	1.7
279.15918	2.6
289.18066	2.3
291.19565	1.4
293.18076	1.1
293.21127	6.1
312.31995	1.0
313.21533	1.3
315.23276	4.5
331.22733	3.1
333.24161	21.4
335.25760	10.3
349.23676	52.4
350.23996	3.3
363.21558	2.8
381.22629	1.6
527.37207	1.8
543.36731	47.1
544.36981	3.1
561.37036	1.2
607.43420	46.8
608.43542	2.7
623.33228	1.2
623.42981	17.6
624.43481	1.1
625.44263	7.4
641.43939	5.9
687.40222	1.5
732.86841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5296
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	0.8
65.03918	2.9
67.05492	47.2
69.03408	3.5
69.07056	32.4
69.62486	3.7
70.07392	0.6
71.04981	3.7
71.08621	0.6
73.02888	0.8
77.03903	1.1
79.05479	38.3
81.03404	9.6
81.07042	65.0
82.07352	1.0
83.04967	8.8
83.08604	10.9
85.02882	1.6
85.06509	3.1
86.09694	2.3
87.04449	2.6
91.05465	49.4
92.05781	1.1
93.07027	42.7
94.07355	1.0
95.01320	7.2
95.04952	10.6
95.08589	28.3
96.08868	0.6
97.02878	1.8
97.06511	30.8
97.10166	4.8
99.04470	0.6
99.08081	1.9
103.05444	2.0
105.07011	64.5
106.07324	1.1
107.04937	16.1
107.08575	24.1
109.02823	1.1
109.06498	6.1
109.10136	11.2
111.04490	1.2
111.08064	3.5
113.05981	0.5
113.09606	1.5
115.05431	1.4
117.06996	16.2
119.08559	35.2
120.08907	0.7
120.70059	0.5
121.06465	5.1
121.10115	13.6
121.10996	0.8
123.04413	2.3
123.08045	4.6
123.11697	3.7
125.09566	3.5
127.03911	1.3
128.06239	1.1
129.06992	4.1
130.07809	1.0
131.04805	0.6
131.08540	24.5
133.06462	1.3
133.10104	40.2
134.10457	1.0
135.08038	4.6
135.11664	11.4
137.08612	0.7
137.09595	2.6
139.07535	1.8
141.06956	2.5
142.07776	0.8
143.08566	5.3
144.09325	0.7
145.06424	1.9
145.10094	19.3
147.08040	1.8
147.10481	1.0
147.11653	18.7
149.09599	10.2
149.13234	7.6
151.11137	3.2
155.08528	2.4
157.10117	4.1
159.08049	0.9
159.11655	12.4
161.09642	1.5
161.13223	7.2
163.11157	6.5
163.14784	0.9
165.09087	1.9
165.12755	0.6
167.08408	0.7
168.09387	0.6
169.10080	3.8
171.11613	3.9
173.04428	1.4
173.09532	0.9
173.13245	5.0
175.11134	1.4
175.14810	1.6
177.12758	4.1
179.14276	10.4
181.10194	0.7
181.12172	0.9
183.11674	3.3
184.07314	8.1
185.13237	1.5
187.11166	2.5
187.14851	1.4
189.11263	0.8
191.14333	0.8
195.13806	2.5
197.13234	2.7
199.14824	0.7
201.12675	0.9
201.16379	0.7
205.12099	0.7
211.14862	1.2
213.16374	0.8
215.14366	0.8
215.17989	1.2
217.15791	1.0
223.13217	0.8
227.12749	2.4
229.19467	2.1
233.15424	0.7
239.17964	1.8
241.19467	1.9
247.20595	2.3
251.16449	2.4
253.14326	1.6
255.15829	7.6
257.18967	7.0
259.20447	3.5
267.15894	1.2
269.17441	24.0
270.18008	0.6
273.18439	1.2
275.20010	66.4
276.20413	2.2
279.15930	1.2
291.19479	6.1
293.20956	4.4
331.22699	1.5
333.24182	3.3
349.23669	41.1
350.24017	1.9
365.23309	3.0
367.24847	4.1
394.39392	0.6
413.21658	2.2
486.51874	0.7
503.33780	1.5
504.34036	0.6
525.35675	1.5
527.37201	0.9
529.35138	20.0
530.35431	1.0
543.36719	100.0
544.37140	6.4
547.36224	0.7
561.38379	0.9
595.43097	0.9
605.41681	2.5
623.42938	29.2
624.43176	1.6
641.43988	9.9
687.41357	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	838.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	45.5
61.02913	3.8
65.03927	3.9
67.05492	100.0
68.05820	1.0
69.03411	8.1
69.07056	42.2
70.01479	3.6
71.01349	1.7
71.04979	10.9
71.08618	0.8
73.02911	3.3
73.87235	0.6
75.04454	0.6
79.05479	36.3
81.03407	17.2
81.03843	1.4
81.07040	47.8
83.04969	8.9
83.08607	14.4
85.02887	8.1
85.06525	4.9
87.04453	43.4
87.94066	0.6
91.03955	1.6
91.05463	35.7
93.07027	31.2
94.07850	1.0
95.04955	14.5
95.08588	28.8
97.02871	6.3
97.06524	9.0
97.10151	17.5
97.10750	1.0
99.04433	13.4
99.08067	1.7
101.06009	1.3
103.03926	1.0
103.05495	1.9
105.07011	24.0
107.04939	9.2
107.08572	20.8
109.02867	1.3
109.06486	4.3
109.10138	70.0
110.10477	0.7
111.04449	2.8
111.08061	7.2
113.06019	1.6
113.09682	1.1
113.97711	0.8
115.03940	0.9
115.05453	1.0
117.05519	0.8
117.06996	10.8
119.04918	1.0
119.08556	23.0
119.48885	0.6
121.06485	5.9
121.10121	11.0
123.04460	1.2
123.08027	5.8
123.11720	2.8
125.06017	0.9
125.09612	16.5
127.03912	3.1
128.06148	1.0
129.05482	4.3
129.06972	4.0
130.07828	0.7
131.08548	11.2
133.06485	2.6
133.10115	13.1
135.08046	3.7
135.11658	8.3
137.09592	10.9
139.11162	1.5
141.07005	1.0
143.07050	1.1
143.08568	3.0
143.10640	1.7
145.06500	1.9
145.10117	9.7
147.08057	2.3
147.11646	8.6
149.09596	14.6
149.13283	2.3
151.11185	3.0
153.09076	1.2
153.12759	1.3
155.08583	2.0
155.10612	4.9
157.08925	0.9
157.10098	4.0
159.11659	5.5
161.09613	1.6
161.13225	3.6
163.11156	9.5
165.09145	1.6
165.12791	1.7
167.10667	0.9
169.10078	1.7
171.10135	2.0
171.11708	2.1
173.04463	1.4
173.09555	1.6
173.10088	1.3
173.11731	23.3
173.13232	2.4
175.11200	2.9
177.12770	2.8
179.14290	3.4
181.12209	1.9
183.11790	1.2
184.07346	1.5
187.11179	1.7
187.13339	1.2
187.14871	1.1
189.11230	2.2
191.10596	1.4
193.12238	5.3
197.13330	1.4
199.13269	8.4
199.14629	0.5
201.12790	1.0
203.14313	0.7
205.12253	1.9
209.11731	2.0
211.13216	1.8
215.14500	0.8
217.14319	1.4
219.13759	0.8
223.13187	3.9
225.14862	1.2
227.12708	5.0
227.17993	0.9
228.13020	0.9
229.14308	48.4
231.13794	0.8
239.17929	1.3
241.14366	2.5
243.15897	1.3
247.20572	0.9
253.18170	1.0
255.15958	2.4
257.13843	1.0
257.18973	4.5
267.15826	8.9
269.17535	1.2
273.18524	1.6
275.20032	16.1
283.15387	1.8
291.19501	6.3
293.21170	3.0
297.17203	0.9
301.16599	1.0
315.18207	2.7
321.24146	1.0
325.20181	2.9
331.22845	0.8
333.19168	0.8
349.19107	1.6
349.23645	21.1
365.23215	2.0
383.24277	6.1
397.25516	1.4
399.24185	0.9
401.23856	0.9
407.27841	6.1
409.25870	1.9
421.26074	2.5
423.27432	1.2
439.26950	0.8
451.27054	1.6
457.51337	0.7
473.32834	1.3
491.33420	1.1
493.27832	1.3
502.32672	1.2
503.33600	18.2
519.33148	1.3
521.34515	2.1
623.37866	0.9
664.30420	0.9
696.24670	0.7
734.42993	2.4
838.47571	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04994	0.6
61.02913	7.2
61.03208	0.6
62.02298	0.3
65.03943	1.4
67.05492	30.6
68.05806	0.4
69.03415	3.6
69.07052	9.4
69.36905	3.7
71.01351	0.7
71.04977	4.3
71.08641	0.5
73.02897	2.5
79.05476	23.8
81.03402	35.2
81.07039	40.9
82.87324	0.3
83.04964	10.1
83.08601	18.7
85.02886	18.9
85.06525	2.6
86.09705	0.6
87.04487	0.5
87.70811	0.3
91.03944	4.4
91.05463	21.4
93.07024	28.3
94.07353	0.4
95.04948	16.8
95.08583	12.8
97.02872	6.4
97.06509	6.6
97.10148	3.0
99.04464	1.3
99.08077	1.7
103.03970	0.4
103.05475	0.5
105.04478	0.4
105.07011	12.6
107.04935	4.3
107.08570	15.3
109.02898	0.9
109.06496	4.0
109.10123	4.4
111.04442	1.8
111.08060	8.1
113.06002	1.5
113.09649	0.4
115.03926	0.5
115.05474	1.1
115.75723	0.5
116.06200	0.4
117.06989	5.1
119.04941	0.9
119.07817	0.3
119.08558	11.1
121.06500	2.9
121.10120	13.0
123.04420	0.7
123.08025	2.0
123.11646	2.6
125.05956	0.5
125.09571	1.9
127.03889	1.9
127.07570	0.9
128.06213	0.4
129.05498	0.7
129.06969	4.7
131.08537	10.4
131.09502	0.6
133.06491	1.6
133.10104	11.7
135.07999	1.7
135.11647	3.8
137.05959	0.4
137.09595	1.5
139.11169	0.7
142.07765	1.1
143.08528	0.5
145.04950	2.0
145.06549	0.5
145.10112	1.5
147.04379	0.5
147.08032	2.2
147.11659	9.1
149.09583	3.6
149.13229	12.6
151.11179	0.8
153.09087	0.3
155.08569	0.6
157.10088	9.1
157.11255	0.7
158.12527	0.4
159.08083	0.5
159.11668	6.4
163.03938	0.4
163.06015	2.0
163.11203	0.9
165.12770	2.5
167.06985	0.5
167.14244	0.5
170.09538	0.4
173.06006	0.4
175.11143	9.0
177.12694	2.6
184.07295	0.6
187.14822	0.4
193.12201	24.8
194.12556	0.8
195.13754	5.2
211.13239	27.6
212.13655	0.7
229.14360	0.8
247.48647	0.3
249.14780	0.6
251.16333	0.5
267.15863	22.3
268.16113	0.9
269.17422	43.7
270.01639	0.3
270.17838	1.4
283.15164	0.4
285.16898	25.1
286.17371	0.7
316.09775	0.3
387.25436	0.6
413.21503	0.6
417.26193	0.5
435.27148	2.2
443.28003	2.1
460.48013	0.4
461.28906	57.3
462.29254	3.6
471.07935	0.4
479.29947	100.0
480.23932	0.6
480.30359	6.4
503.29514	0.5
541.80176	0.5
573.33936	0.5
605.32452	0.5
623.34021	3.2
869.73315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	0.9
65.03942	1.0
65.83602	1.0
67.01817	0.9
67.05495	2.2
69.03429	5.0
71.04960	1.8
71.62511	1.1
71.63486	1.0
73.02909	0.8
73.65366	0.8
79.05482	3.8
81.03404	4.2
81.07030	4.5
85.02889	8.2
87.04461	1.4
89.48234	0.8
91.05475	3.5
93.05776	1.0
93.07028	4.8
94.06558	6.0
95.04957	1.4
95.07333	2.2
95.08602	3.0
96.08125	5.3
97.02870	5.4
97.06512	1.4
99.03239	0.8
103.05467	1.2
105.07016	2.7
106.06557	1.2
107.07317	1.3
107.08575	1.9
108.04459	1.6
108.08103	11.6
109.02885	2.4
109.10138	3.0
110.09661	7.6
111.04420	1.2
116.04987	1.6
117.07021	1.5
119.04936	0.9
119.08603	1.8
120.04465	3.1
120.08086	9.0
121.02811	1.2
121.10133	1.7
122.06023	10.4
122.09676	3.2
123.04410	1.6
123.11624	1.8
124.07561	5.5
127.03901	3.4
127.11214	1.7
133.10117	2.2
134.05995	3.1
135.04329	1.0
135.11653	5.3
136.07567	14.3
137.05956	1.3
137.09584	1.6
137.42383	1.0
138.05515	1.3
138.09128	15.3
139.03914	2.1
143.10628	1.3
144.04430	2.7
146.06001	6.4
147.04404	3.8
148.07549	7.6
150.09128	6.1
151.03957	0.9
151.07526	1.0
152.07080	3.0
153.05313	0.9
160.03958	3.3
161.13231	0.9
162.05461	3.0
164.07053	3.2
165.09082	2.7
166.08612	28.2
167.07088	4.2
172.03918	17.8
172.05371	1.2
172.07497	1.4
174.05475	2.2
176.07071	2.2
178.04944	1.1
179.06966	0.9
181.04958	3.1
184.07474	1.0
190.04947	15.8
194.08142	1.2
196.09814	1.5
197.10725	2.7
199.12292	1.6
203.17996	2.9
204.06529	32.6
209.10712	1.5
210.09151	1.4
211.08638	2.7
212.09404	2.3
213.10155	1.0
221.10614	1.4
221.18964	8.1
223.08853	1.0
223.12292	2.0
225.10208	9.6
226.10988	1.8
227.11723	12.5
235.08624	1.1
236.09357	2.1
237.10246	7.9
238.10994	1.2
239.08185	1.3
239.11792	5.6
241.09676	3.0
241.13333	2.3
245.12929	2.0
248.09302	1.5
249.10193	6.1
250.11061	1.3
251.08115	2.2
251.11763	7.1
252.08955	2.3
252.12537	1.4
253.09703	8.5
253.13322	1.1
254.10655	1.0
255.11287	3.8
257.12869	1.1
261.10178	3.8
263.08133	1.5
263.11832	4.9
264.08984	2.8
265.09683	9.7
266.10529	2.4
267.11267	9.5
267.66904	1.0
268.12057	1.0
269.08829	1.1
269.09531	1.1
269.12827	14.3
271.10721	8.5
273.12341	3.2
277.09729	3.6
278.10504	4.1
279.07925	1.5
279.11234	13.9
280.11960	2.7
281.09152	2.8
281.12811	3.1
283.10764	8.2
284.11569	4.4
285.12289	5.9
286.13034	1.3
287.05420	2.6
287.13843	14.8
289.09711	7.5
291.11261	3.5
293.09164	4.8
293.12827	3.5
294.09738	2.2
295.10867	6.8
295.14017	1.6
296.11472	1.7
297.12308	11.2
299.10419	1.2
299.13876	2.6
300.11292	2.5
303.04858	1.4
305.09119	1.1
306.10165	1.3
307.10745	4.6
308.11572	1.3
309.12286	3.6
310.12903	1.0
311.10168	4.4
311.13821	2.0
312.11185	2.2
312.15002	1.0
313.11545	4.2
314.12750	2.7
315.13342	8.5
316.14478	2.3
316.18103	1.0
317.09308	1.6
321.12253	1.8
323.10223	7.6
323.13922	2.3
324.10889	1.6
325.11780	18.6
326.12708	1.8
326.16449	1.4
327.13376	7.6
328.10776	1.3
328.14413	2.1
329.15237	1.8
330.15857	1.4
335.10233	12.3
336.10782	1.2
337.11758	3.4
339.09439	1.6
339.13370	25.7
340.10526	1.9
341.11392	3.3
341.15320	1.7
342.12399	5.5
343.12985	8.1
343.16766	1.2
353.11325	6.1
354.11844	4.2
354.16156	1.3
355.12875	11.2
355.16830	1.4
356.13797	4.8
357.14474	23.0
358.15378	4.1
365.11319	1.5
367.12897	24.6
369.14532	1.1
370.15540	4.8
371.16229	2.0
372.16843	1.2
380.13852	1.7
382.11768	3.2
383.12918	1.2
384.13263	3.6
385.13626	3.7
386.14389	1.8
386.18530	2.8
388.16452	1.3
390.18076	2.0
394.15359	1.1
397.14407	1.2
398.14957	15.3
399.15790	21.7
400.16522	2.9
402.18106	1.7
404.15891	6.1
412.16550	2.8
414.18176	4.5
416.15991	16.3
417.16226	1.3
422.16022	1.4
428.15924	4.1
430.17645	4.5
432.19324	1.4
440.15964	9.3
441.14703	2.0
444.19391	1.6
446.16946	7.8
458.17087	24.7
460.18567	3.5
470.16965	1.3
478.19711	4.8
487.17090	11.2
488.18314	8.0
490.19699	10.2
492.20944	1.9
506.19153	3.9
519.20129	1.2
520.20862	8.5
523.22302	1.0
541.24756	1.8
551.23193	1.2
552.23291	1.5
565.24329	1.6
569.23718	4.9
593.23798	3.0
611.24939	100.0
612.25232	6.0
625.25403	1.0
626.24811	2.9
642.26361	3.9
643.27509	31.4
644.27515	1.4
650.23260	5.4
682.25970	75.9
683.26477	9.5
714.28558	15.1
715.29480	6.2
773.30145	34.9
774.30377	1.4
788.28937	1.0
805.32690	5.3
837.31000	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	0.9
61.23005	0.8
61.71981	0.7
65.03927	1.6
67.05497	26.3
69.03424	4.6
69.07058	29.2
70.27850	3.6
74.35371	0.8
79.05486	22.2
79.05952	1.2
79.70285	0.6
81.03414	6.7
81.07047	35.8
82.07345	1.2
83.04965	5.0
83.08601	7.0
85.06522	1.6
85.44864	0.7
86.09687	2.1
91.05467	34.8
93.07031	21.9
94.27911	0.8
95.01321	4.8
95.04959	8.6
95.08588	18.8
95.09156	1.3
97.02882	4.7
97.06517	23.5
97.10161	6.3
103.05460	1.7
105.07016	43.9
106.07384	1.0
107.04939	11.6
107.08583	11.7
109.06475	3.5
109.10143	7.9
111.04419	1.1
111.08070	2.1
117.06996	11.7
119.04955	1.0
119.08562	24.5
121.06491	3.8
121.10123	7.9
123.04441	2.3
123.08069	2.9
123.11664	1.1
124.99979	1.1
125.09622	5.3
128.06166	0.7
129.06996	3.7
130.07857	1.0
131.08548	14.5
133.06471	2.1
133.10109	22.6
133.11067	1.4
135.08026	3.8
135.11688	5.6
137.09634	2.1
139.03854	3.5
139.07521	1.2
141.06902	1.0
143.08568	3.0
145.06493	1.6
145.10101	11.6
147.08076	2.5
147.11661	8.2
149.09589	4.7
149.13280	2.7
151.11192	1.5
155.08524	1.2
157.10144	2.9
159.08124	0.8
159.11667	6.7
161.09590	1.6
161.13242	2.8
163.03925	1.2
163.11217	3.7
165.09180	1.5
169.10150	1.2
171.11736	1.9
173.13293	2.5
175.11194	1.5
175.14848	1.0
177.09109	0.8
177.12721	2.7
179.14307	6.0
183.11687	1.3
184.07306	7.1
187.11226	2.3
189.11293	1.0
197.13239	1.6
205.12245	0.8
219.17430	1.1
223.13271	8.1
227.12868	2.5
239.17981	1.2
247.20593	1.8
249.14940	1.5
257.19025	3.1
267.15820	0.9
273.18552	7.3
275.20023	51.6
276.20404	2.0
279.15903	1.3
291.19501	32.0
292.19928	1.9
293.21112	3.8
335.25690	1.2
347.21930	1.7
349.23688	26.9
350.24295	1.0
365.23203	24.8
366.23596	1.8
541.35303	3.6
559.36078	1.4
621.41589	4.3
639.42456	100.0
640.42706	9.6
657.43506	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04972	0.9
60.08150	0.7
65.03925	3.0
67.05490	50.5
68.05832	0.8
68.32569	0.6
68.73397	0.6
69.03417	2.6
69.07052	27.9
69.54626	5.1
69.81442	0.8
77.03918	1.0
79.05473	40.4
81.03399	9.0
81.07037	65.0
83.04965	11.9
83.08589	7.9
83.09044	0.9
85.02886	1.6
85.06511	3.4
86.09692	2.4
91.05460	66.7
92.05798	1.5
93.07021	40.4
94.07370	0.9
95.01299	7.2
95.04947	12.2
95.08588	31.5
97.02870	0.9
97.06512	28.3
97.10149	2.4
98.98447	1.2
99.04430	1.1
99.08087	1.1
101.06014	0.6
103.05439	2.3
105.07006	81.7
106.07335	1.8
107.04928	18.1
107.05597	1.3
107.08571	29.5
108.08926	0.8
109.02855	1.3
109.06491	7.2
109.10133	29.2
110.89494	0.7
111.04435	2.5
111.08057	4.1
113.05936	0.8
113.09618	1.0
115.05431	1.6
115.07514	0.9
116.06232	0.9
117.06981	14.7
119.08556	33.7
120.08900	1.6
121.06470	8.0
121.10101	7.7
123.04422	2.6
123.08033	6.5
123.11687	5.7
124.99957	1.3
125.09602	2.0
127.07543	1.4
128.06168	1.4
129.06975	4.2
131.08543	23.4
132.08871	1.1
133.06516	4.2
133.10100	67.5
134.10478	1.0
135.08025	7.4
135.11652	7.5
137.05960	1.0
137.09558	3.5
139.07491	1.8
141.06978	1.6
143.08525	6.7
145.06485	2.3
145.10088	17.4
147.07991	3.3
147.11667	13.8
149.09570	10.5
149.13208	2.2
151.07545	1.0
151.11151	17.6
155.08536	2.0
157.10100	3.8
159.08051	2.4
159.11661	11.1
160.11227	2.5
161.09587	4.9
161.13226	5.6
163.11128	5.1
163.14809	0.9
165.09134	2.4
165.12680	0.8
169.10100	2.2
169.12230	2.0
171.11699	3.5
173.09563	1.0
173.13200	4.2
175.11169	3.6
175.14821	1.4
177.09105	0.9
177.12714	3.6
179.10678	1.9
179.14287	11.7
181.64168	0.6
183.11725	1.9
184.07278	9.2
185.13248	1.8
187.11143	3.0
187.14758	0.8
189.12766	1.6
195.11749	0.7
195.13734	0.7
197.13239	2.4
201.12762	0.8
203.14468	0.8
205.12309	1.4
213.16322	0.7
215.12672	1.1
219.13834	0.8
219.17316	1.0
221.10805	0.8
227.17941	1.0
229.19562	1.2
237.16325	0.8
239.17947	1.7
245.18932	1.6
247.20573	2.0
251.12686	3.6
253.14301	62.9
254.14767	1.9
255.17451	1.4
257.19000	4.8
258.08932	2.5
263.19995	1.5
273.18433	16.9
275.20004	77.5
276.20346	3.8
279.15955	1.4
291.19467	18.3
293.21024	4.5
309.20502	1.0
313.27344	0.9
329.21075	1.7
331.22717	0.7
347.22095	13.2
349.23648	39.9
350.24072	2.2
365.23129	32.5
366.23517	1.6
413.20801	0.7
471.30988	1.0
505.69977	0.8
527.33514	2.4
543.33374	2.5
545.34595	10.6
546.34985	1.0
621.41345	14.5
622.42041	2.0
639.42413	100.0
640.42731	12.4
657.43451	2.0
866.47791	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.3
62.19513	0.2
65.03925	0.3
67.05472	0.4
69.03414	4.2
69.07041	0.3
69.61119	0.5
69.61521	1.5
70.06566	0.3
71.04981	0.5
73.02906	0.9
79.05467	0.5
80.04977	0.3
81.03406	1.4
81.07037	0.7
83.04979	0.3
85.02885	3.3
87.04442	0.6
91.03931	0.3
91.05463	0.7
93.05756	0.6
93.07033	0.2
94.06557	1.9
95.04960	0.3
95.08577	0.3
97.02872	1.8
97.06524	0.3
98.21416	0.5
99.04427	0.4
101.02369	0.3
103.05470	0.3
105.07032	0.4
106.06519	0.3
107.04904	0.4
107.07360	0.3
107.08561	0.3
108.08092	8.2
109.02866	1.0
109.10150	0.4
110.09647	0.2
117.06869	0.2
117.79445	0.2
118.06550	0.2
119.04963	0.2
120.04437	0.4
120.08098	1.3
121.02821	0.3
121.10149	0.2
121.93846	0.2
122.06005	2.2
122.09634	1.5
123.04395	0.5
127.03909	0.9
132.08058	0.5
133.10181	0.3
134.05986	0.3
135.06767	0.3
135.11740	0.3
136.07552	12.4
137.09598	0.3
138.09105	0.5
139.03899	0.4
145.10019	0.2
146.06001	0.4
147.04413	0.7
148.07568	1.3
150.09100	0.6
151.03775	0.3
152.07048	3.6
158.09665	0.2
160.07617	0.3
162.05516	0.6
163.03973	0.3
164.07010	1.8
165.09055	0.3
166.08607	1.4
167.07072	0.6
172.03937	0.6
174.09109	0.4
180.06541	0.3
181.04953	0.5
183.09271	0.2
184.07587	0.3
186.09187	0.4
190.05020	0.6
194.08076	2.5
196.09816	0.3
197.10780	0.4
204.06566	1.1
204.10207	1.0
209.10597	0.5
210.07787	0.2
211.08772	0.5
211.12309	0.4
212.09428	0.6
213.10213	0.4
221.10713	0.5
222.11351	0.3
223.08723	0.4
223.12372	0.6
224.09389	0.3
225.10194	1.7
226.11142	0.2
227.11627	1.1
235.08662	0.8
236.09439	0.8
237.10173	2.5
238.10791	1.1
239.08150	0.7
239.11760	1.8
241.13356	0.3
243.11215	0.4
248.09358	0.4
249.10182	2.2
250.10968	0.9
251.08151	0.7
251.11760	3.5
252.09007	0.4
252.12509	0.7
253.09615	1.6
253.13414	0.4
255.11365	0.6
261.10190	0.6
262.10934	0.4
263.08124	0.7
263.11813	1.7
264.08896	0.5
265.09680	3.0
265.12921	0.4
266.10498	0.6
267.11267	2.9
268.11993	0.3
269.09711	0.3
269.12769	2.7
271.10657	1.3
277.09695	1.5
278.10361	1.2
279.07687	2.7
279.11282	4.1
280.08667	0.3
280.11951	0.8
281.09277	0.6
281.12866	0.6
282.13580	0.2
283.10751	0.8
285.12424	0.7
287.13852	0.9
289.09784	0.6
291.11249	0.7
292.08466	0.6
292.12000	0.3
293.09155	1.5
293.12863	1.3
294.10016	0.8
295.10837	2.0
295.13956	0.4
296.11389	0.5
297.09045	0.3
297.12384	0.9
299.10342	0.7
300.14899	0.2
305.09256	0.9
306.09790	0.2
307.10660	2.8
308.07980	0.3
308.11569	0.5
309.09012	0.4
309.12424	1.0
310.13092	0.5
311.10303	1.4
311.13782	0.4
312.11292	0.5
312.14999	0.3
313.11615	1.2
314.12756	0.8
315.13431	0.6
319.10913	0.3
321.09024	0.2
321.12415	0.9
323.10284	2.2
323.14099	0.7
324.11096	0.5
325.11743	2.2
325.15222	0.3
326.12823	0.8
326.16516	0.3
327.13388	1.7
328.14432	1.3
329.15143	0.5
330.12415	0.4
330.15967	0.7
335.10110	0.4
337.11993	0.9
338.12827	0.7
339.13339	5.9
340.10678	0.5
340.14429	1.2
341.11371	2.5
341.15295	0.7
342.12277	0.9
342.16089	1.6
343.13049	0.5
343.16824	0.3
344.13861	0.5
344.17636	0.8
351.09857	0.9
352.10446	0.4
352.14224	0.5
353.11255	0.3
353.15308	0.5
354.12192	0.8
354.16260	0.7
355.12872	2.7
356.13916	2.0
356.17657	0.8
357.14630	0.8
358.15646	1.0
358.19403	0.4
366.12054	0.6
367.12881	2.0
368.13809	1.4
369.14853	1.1
370.11478	0.4
370.15454	1.9
371.12277	0.6
371.16510	0.5
372.13123	0.5
372.17120	1.3
374.14856	0.6
374.18903	0.4
380.13867	0.3
381.14560	0.7
382.15582	0.8
383.12375	1.2
383.16592	0.4
384.12756	1.2
384.17123	0.9
385.14075	0.9
386.14920	0.9
386.18777	0.7
387.15564	0.5
388.16483	1.0
394.15714	0.4
396.13232	0.5
397.13940	1.5
398.14658	1.8
399.15414	1.6
400.16568	1.4
402.14276	0.8
402.18250	0.9
410.14975	0.7
411.15811	0.3
412.16968	1.3
413.17603	0.3
414.13776	0.6
414.18921	1.1
415.15070	0.3
416.15585	1.9
417.16705	0.4
418.17505	1.0
426.14304	0.4
427.15488	0.3
428.15836	1.1
429.16904	0.9
430.18173	2.1
431.18469	0.4
432.19583	0.4
434.16898	1.0
438.14383	0.4
440.16071	0.6
442.17746	0.9
444.15356	1.0
444.20047	0.7
446.21518	1.5
448.18649	1.0
456.15384	0.8
457.16229	0.5
458.17120	2.6
459.17679	0.7
460.19208	0.6
461.19873	0.3
462.21222	2.5
472.18774	1.5
474.21133	1.5
475.17383	0.5
476.18085	2.2
478.19412	0.4
485.15735	1.2
486.16534	0.7
488.18237	0.5
489.19073	0.4
490.19647	10.0
491.20007	0.7
500.18317	0.3
502.20084	0.6
503.16455	4.5
503.23477	0.3
504.17358	0.3
506.19022	0.3
507.19955	0.3
517.17932	1.9
518.19141	2.6
522.22620	1.2
532.20490	0.6
534.22839	0.5
550.21637	2.2
551.23120	0.4
575.22955	0.3
593.23895	1.5
596.23346	0.3
609.23346	4.6
610.22998	0.3
620.22473	0.8
624.25281	1.0
625.26373	0.5
636.24792	0.3
641.25940	2.9
648.22052	0.3
652.24902	4.5
653.25372	0.6
680.24402	5.5
681.24982	0.7
684.27545	0.4
712.26971	100.0
713.27277	5.3
771.28516	8.3
772.29163	0.4
803.31335	1.6
835.32715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	1.2
67.05476	1.2
69.03417	5.3
69.07068	0.8
69.29973	2.0
69.30396	4.6
70.06560	0.6
73.02896	0.6
79.05468	1.8
80.05035	0.7
81.03387	3.3
81.07053	1.9
82.06577	0.6
83.04969	1.0
85.02892	6.5
91.05480	2.6
93.07027	2.6
94.06558	3.6
95.04953	0.8
95.07345	1.6
95.08599	1.0
95.91277	0.5
96.08115	3.8
97.02887	3.4
97.06548	0.9
99.04457	1.1
103.05478	0.9
105.07032	1.4
107.07299	0.6
107.08608	0.7
108.08099	8.3
108.08773	0.9
109.02901	0.9
109.10127	1.0
110.09658	8.1
111.04360	0.7
118.06500	0.6
119.04881	1.0
119.08542	0.9
119.43955	0.5
120.04454	0.9
120.08076	7.4
121.06501	1.0
121.10097	1.5
122.05998	10.3
122.09663	2.0
123.04414	1.3
124.07588	0.7
127.03903	2.0
131.08611	0.8
133.93069	0.6
134.06026	1.1
136.07556	13.4
136.08530	1.2
138.09111	11.7
139.03886	1.4
145.04990	0.9
145.10114	0.6
147.04390	2.9
148.04791	0.7
148.07547	4.7
150.09166	3.5
151.03911	0.8
153.01805	0.8
161.09619	0.9
163.03880	1.0
165.05531	0.7
165.09087	1.2
166.08607	20.9
167.07077	2.1
172.03940	0.6
177.05495	2.0
179.03424	1.9
180.03732	0.9
181.05046	0.9
186.75990	0.5
191.07028	1.2
194.08310	1.2
196.44606	0.6
209.10777	2.2
211.08638	0.9
218.37152	0.6
223.12331	1.2
225.10245	2.2
226.10960	0.9
235.08534	3.2
236.09338	2.9
237.10188	16.2
238.10730	0.8
239.11731	1.4
239.47592	0.5
245.04565	1.1
249.10207	13.2
250.10938	3.9
251.08250	2.0
251.11703	5.5
252.09030	0.7
252.12463	1.0
253.09679	2.3
254.10248	0.6
255.11401	1.1
257.04343	0.7
261.10260	2.1
263.08197	2.3
263.11746	1.6
264.08887	9.6
265.09705	9.4
265.12839	0.9
266.10562	1.9
267.11218	6.9
269.09091	0.9
276.09015	0.8
277.09665	13.9
277.12448	1.0
278.10458	5.1
279.07947	1.4
279.11206	16.2
280.08615	1.0
280.11908	1.6
281.09259	4.4
281.12555	0.9
282.10028	1.4
283.10751	1.9
285.12274	0.7
289.09784	1.3
291.07654	1.4
291.11206	1.4
292.08444	3.1
292.11652	1.4
293.09235	33.5
293.12811	7.9
294.09824	2.8
294.13486	0.8
295.10727	5.2
295.13965	0.8
296.11493	1.1
297.08636	0.9
297.12274	1.3
298.09613	0.6
301.09338	0.6
305.09183	11.5
306.09998	1.8
307.10712	13.7
308.08011	0.7
308.11276	1.1
309.08755	3.2
309.12402	5.1
310.09418	0.8
310.12994	1.0
311.10321	3.8
311.13705	1.2
312.11200	2.1
313.11743	3.0
319.10806	1.8
321.08826	0.9
321.12250	1.4
322.13196	1.2
323.10205	7.9
323.13528	1.1
324.11057	1.6
325.11926	5.8
326.12723	1.1
327.13470	2.0
328.14667	1.0
333.08746	7.5
335.10135	1.1
337.11774	3.8
338.12683	1.4
338.16534	0.9
339.09607	0.9
339.13336	12.1
340.14450	1.3
341.15222	1.2
342.16324	0.7
343.13098	0.8
347.10129	0.7
351.09695	39.1
352.10239	1.8
352.14487	0.8
353.11288	3.5
353.15204	2.4
354.12253	2.7
354.16101	1.1
355.12885	5.1
356.13693	1.4
357.14563	1.0
365.11279	3.6
366.12048	13.1
367.12689	1.7
368.14011	2.3
369.14481	2.2
370.11661	1.9
370.15500	1.8
371.12238	8.6
371.16101	0.7
380.14087	0.9
382.11530	1.3
382.15796	1.3
383.12219	16.1
384.13144	1.5
384.17349	1.5
385.13828	7.0
385.17474	0.6
386.14688	1.6
387.15442	1.6
392.13861	0.8
395.13116	0.8
396.13342	1.3
397.13812	4.6
398.14276	3.5
398.19214	1.2
399.15472	2.5
400.16479	1.2
401.17242	0.7
410.15237	1.4
412.16690	2.5
416.15506	0.9
418.17664	2.1
426.14288	0.8
428.16107	2.7
429.16290	0.8
430.17911	1.2
431.76987	0.8
432.19333	1.0
438.14297	5.0
442.17514	1.3
444.14478	0.8
444.19754	1.0
446.17004	12.7
446.22870	0.8
447.17743	0.9
456.15353	7.0
457.16101	0.9
458.17087	3.4
459.17606	1.1
462.21109	0.6
476.17938	6.8
477.19125	0.8
478.19662	4.5
486.16669	2.7
488.18195	3.3
490.19623	3.7
491.20737	0.9
504.17267	1.1
508.20486	0.8
518.19019	9.3
519.20038	4.9
520.20819	0.8
522.22675	0.8
536.20245	16.0
550.21790	12.8
551.22455	5.2
560.22217	0.6
575.44202	0.7
591.22473	0.8
608.22028	1.2
609.23389	4.8
623.24884	2.3
640.24872	2.4
641.25922	33.3
642.26196	1.7
648.21710	1.0
662.23523	2.1
680.24414	40.1
681.24988	14.0
682.25763	1.5
712.27161	6.9
713.27771	100.0
714.27765	7.1
771.28748	1.7
803.31390	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	834.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	0.2
61.02914	2.0
65.03928	0.9
66.50288	0.2
67.05496	21.3
69.03403	0.5
69.07059	6.6
70.91415	0.7
71.04987	1.5
73.02901	0.8
73.06532	0.4
73.67989	0.2
79.05483	21.5
81.03407	2.7
81.07048	25.4
82.58144	0.2
83.04974	4.0
83.08613	4.5
85.02901	2.5
85.06537	1.4
87.04450	0.3
91.03953	1.3
91.05470	16.7
93.07032	28.0
95.04955	6.3
95.08598	10.2
95.09219	0.4
97.02877	1.4
97.06510	3.6
97.10136	1.1
99.04439	0.4
99.08068	0.8
103.05435	0.3
105.04489	0.5
105.07018	10.0
107.04947	2.0
107.08580	11.4
109.06497	2.1
109.10136	1.7
111.08066	2.1
113.09624	0.4
115.05442	0.3
117.06996	3.5
117.84499	0.3
119.06266	0.2
119.08571	5.8
121.06500	0.8
121.10126	6.0
123.08078	1.8
123.11653	0.5
125.05982	0.2
125.09621	0.4
127.03912	0.6
127.07506	0.5
128.06209	0.6
129.06987	4.9
131.08551	2.6
133.06483	0.4
133.10112	4.6
135.08018	0.5
135.11664	2.5
139.03877	0.4
139.07390	0.2
139.11157	0.6
143.08527	2.2
145.04993	0.4
145.10097	2.7
147.08026	0.9
147.11671	9.8
149.09619	0.4
149.13237	8.3
151.11118	0.2
153.09035	0.2
156.09306	0.4
159.11670	3.6
160.11188	0.3
161.09625	1.0
161.13234	3.4
163.06067	0.4
163.11159	0.5
169.10085	0.4
171.11670	7.1
177.12712	1.6
179.14377	0.4
184.07332	0.5
189.12701	2.5
195.13753	2.1
195.15239	0.3
207.13777	5.9
225.14786	0.5
263.16702	0.3
269.17441	18.0
270.17831	0.3
281.17441	18.0
282.17810	0.3
457.29401	0.9
466.96863	0.2
475.30499	100.0
476.30838	2.7
519.68109	0.3
619.34766	1.0
754.82776	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	0.4
61.02911	2.5
65.03923	0.9
67.05490	22.5
67.56885	0.3
69.03407	0.5
69.07055	7.8
71.01327	0.3
71.04979	1.7
71.62939	0.4
73.02885	0.8
73.06532	0.5
79.05476	24.7
81.03399	3.6
81.07040	25.1
82.07378	0.4
83.04961	4.9
83.08601	4.6
85.02887	2.9
85.06527	1.6
91.03952	1.5
91.04880	0.6
91.05463	16.0
93.07022	30.0
95.04951	6.8
95.08587	10.1
97.02868	1.1
97.06515	3.7
97.10145	1.7
99.04443	0.6
99.08073	0.8
103.05419	0.4
105.04494	0.5
105.07011	11.1
107.04917	1.8
107.08572	12.0
109.06496	2.3
109.10138	1.5
111.08055	2.0
113.09645	0.6
115.05452	0.6
117.07009	4.4
119.08553	7.5
121.06478	1.5
121.10118	6.0
123.08044	1.6
123.11686	0.6
125.09604	0.4
127.03861	0.3
127.07483	0.6
128.06213	0.4
129.06978	4.6
131.08560	2.5
133.06479	0.5
133.10103	5.2
135.08054	1.2
135.11667	2.9
137.09587	0.4
139.03899	0.8
139.07542	0.3
139.11130	0.5
143.08522	2.5
145.04881	0.3
145.10088	3.1
147.08057	1.0
147.11658	11.4
149.09584	0.4
149.13232	7.8
151.11197	0.4
157.10132	0.4
159.11646	4.0
161.09521	1.3
161.13217	3.1
163.06071	0.5
163.11130	0.4
171.11649	6.5
177.12711	2.0
179.14301	0.4
184.07367	0.7
189.12717	2.7
195.13779	2.1
207.13754	6.2
225.14859	0.3
251.16508	0.4
269.17429	19.8
281.17419	17.3
282.17712	0.4
400.46301	0.3
457.29575	0.7
461.28925	0.3
475.30460	100.0
476.30682	2.5
530.70740	0.3
555.33563	0.5
573.34515	0.5
619.34821	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	2.0
60.45429	0.6
61.02921	6.1
65.03914	0.9
67.05499	5.9
69.03424	3.3
69.07050	2.3
71.07365	0.8
73.02906	3.4
78.33750	0.6
79.05485	6.9
81.03410	2.4
81.07042	5.5
83.04979	1.2
83.08621	1.1
85.02886	5.7
86.09692	7.6
87.10031	1.0
89.06013	0.8
91.03934	2.6
91.05466	3.9
93.07030	7.6
95.04977	2.0
95.08592	3.5
97.02872	4.4
97.06485	0.7
97.10165	0.5
98.98477	0.8
99.04456	0.7
101.02367	2.7
103.03957	0.7
104.10773	0.9
105.07001	4.8
107.05012	0.8
107.08566	4.1
109.02882	1.1
109.06583	0.8
109.10150	1.5
115.03965	0.6
116.31988	0.5
117.07006	1.1
119.08583	3.6
121.06535	0.9
121.10093	3.3
124.99985	5.3
125.09672	0.6
127.03922	1.7
127.81229	0.5
128.25288	0.5
129.05499	0.6
129.06966	0.5
131.08549	2.5
133.10136	2.5
135.11696	2.3
143.08566	1.2
145.10136	2.0
147.11681	2.4
149.13277	1.0
157.10114	1.0
159.11723	1.0
161.09598	0.6
161.13329	1.5
171.11717	0.6
173.13275	0.8
177.12672	0.6
184.07307	24.0
185.04300	1.4
185.07741	2.5
185.13313	0.8
189.12634	0.7
197.66113	0.5
227.20027	0.8
243.08337	3.9
279.91470	0.6
301.08908	2.7
313.08951	0.8
313.27451	0.7
315.10553	1.3
317.20886	1.3
373.11179	0.8
385.18436	0.7
397.18604	0.6
423.20056	0.7
437.21481	0.6
465.21045	2.5
495.22134	0.7
525.23199	2.2
535.28760	16.1
536.29132	1.5
607.31183	2.7
635.34961	0.8
653.87872	0.6
806.06573	0.7
829.50568	100.0
830.50891	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	826.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06623	0.5
59.07372	0.1
60.08153	5.7
67.05493	0.3
69.07063	0.1
69.26997	0.2
69.27396	0.9
70.06580	0.1
71.07359	2.9
79.05476	0.3
81.07045	0.3
86.09690	28.4
87.10009	0.4
91.05464	0.3
93.07033	0.3
95.04968	0.1
95.08590	0.3
98.21510	0.2
98.98441	2.8
104.04307	0.1
104.10728	2.2
105.07012	0.3
107.08572	0.1
108.46067	0.1
109.10172	0.2
110.29934	0.1
119.08571	0.1
121.10110	0.1
124.99981	18.8
126.00316	0.1
131.08470	0.1
133.10133	0.1
143.00998	0.3
145.10120	0.1
158.94994	0.1
166.02594	0.3
184.07306	100.0
185.07666	1.6
186.07776	0.2
229.14606	0.1
283.16440	0.1
303.51944	0.1
313.27454	0.1
516.30487	0.1
611.41992	0.1
670.36536	0.2
722.43823	1.9
723.43146	0.2
737.66394	0.1
774.50525	1.3
775.50208	0.3
790.49200	0.4
808.51044	0.9
826.50732	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06350	0.2
58.06623	0.5
59.07376	0.2
60.08154	6.1
67.05486	0.5
69.03441	0.1
69.07076	0.1
69.80273	0.2
71.07368	3.3
71.62421	0.2
72.08122	0.2
79.05478	0.5
81.07040	0.6
86.09693	29.9
87.10054	0.2
91.05495	0.4
93.07031	0.4
93.65570	0.1
95.08605	0.2
98.98449	3.0
104.10732	2.6
105.07032	0.4
107.08580	0.3
115.57109	0.1
117.07069	0.2
119.08556	0.2
120.42181	0.2
121.06643	0.1
124.99985	18.1
126.00365	0.1
126.40132	0.2
142.76479	0.1
143.01004	0.4
148.06023	0.1
155.43689	0.1
166.02734	0.2
184.07312	100.0
185.07643	1.2
186.07762	0.3
222.21603	0.2
656.43921	0.3
722.43811	0.9
724.44769	0.5
751.35364	0.2
776.52271	2.1
792.50543	0.6
810.52527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06622	0.5
59.07382	0.2
60.08155	6.2
61.26462	0.1
62.37847	0.1
62.75760	0.1
67.05492	0.3
69.07054	0.2
69.93901	0.3
69.94318	0.3
70.06602	0.2
71.07362	3.3
75.46479	0.1
79.05470	0.4
81.07050	0.4
83.04942	0.1
86.09692	31.3
87.10033	0.2
91.05466	0.3
93.07040	0.4
95.04932	0.2
95.08587	0.2
98.21391	0.1
98.98445	3.2
104.10733	3.0
105.07021	0.2
107.08605	0.2
109.10153	0.2
116.99493	0.1
119.08561	0.3
121.06499	0.4
121.10088	0.1
124.99986	20.3
131.02396	0.1
133.10152	0.2
143.01044	0.5
145.10121	0.1
159.11714	0.1
164.07085	0.1
166.02625	0.2
171.11581	0.1
177.07925	0.1
184.07312	100.0
185.07645	0.6
191.89507	0.1
302.17352	0.2
371.56430	0.1
461.51233	0.1
612.41913	0.4
613.42261	0.2
656.45032	0.5
672.41833	0.6
710.43219	0.6
712.45557	0.6
774.50067	0.2
784.43304	0.2
792.51782	1.9
810.52606	3.2
811.53326	0.2
828.53931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06589	1.0
59.04995	2.5
59.07345	0.4
60.08151	4.8
61.02916	8.5
65.03919	1.3
67.05495	47.6
69.03433	1.9
69.07058	5.4
71.04980	2.4
71.07359	1.8
71.08622	14.3
71.62939	0.6
73.02916	3.3
76.60399	0.4
79.05475	2.2
81.03359	1.1
81.07046	14.8
83.04974	0.6
83.08608	9.0
85.02892	11.5
85.06509	2.4
85.10168	8.9
86.09692	20.3
89.06012	1.1
91.03939	8.3
91.05460	3.7
93.07025	3.3
95.04971	0.7
95.08588	13.4
96.04531	0.5
97.02863	5.6
97.06540	0.8
97.10151	2.8
98.51754	0.4
98.98454	2.5
99.04428	0.6
99.08064	0.6
100.34733	0.4
103.07554	0.9
103.54438	0.4
104.10747	2.6
105.06995	1.1
107.08588	1.7
109.02816	0.5
109.10139	57.1
110.10428	0.7
111.08066	2.5
111.11704	0.6
115.03907	0.5
117.06998	0.9
119.08568	5.9
121.10137	1.0
123.11690	2.4
124.99989	11.7
127.03888	2.9
129.05472	0.5
131.08549	0.5
133.10097	1.1
135.07936	0.4
135.11652	0.4
135.93690	0.4
137.09630	2.8
137.13232	0.5
141.75729	0.4
142.07787	0.4
142.53886	0.4
145.04935	3.3
145.10104	0.7
147.11627	0.7
151.14824	0.5
155.10641	2.5
157.09990	0.4
159.11696	0.6
163.06000	4.8
173.11717	17.9
174.12070	0.6
184.07312	78.9
185.07681	0.8
215.10873	0.5
229.14317	100.0
230.14705	2.1
239.23721	1.9
239.73880	0.4
257.24719	1.5
313.27322	77.2
314.27670	3.9
337.23676	0.8
373.18524	0.6
467.37268	63.4
468.37604	3.9
611.47162	1.9
780.47174	0.4
826.51276	1.8
827.49695	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90786	0.7
61.02919	5.0
61.43254	1.0
65.03931	5.1
66.14913	0.8
67.05492	100.0
68.05798	1.0
68.58142	0.8
69.03416	9.9
69.07056	31.0
71.04982	4.7
71.08611	1.7
71.61899	1.3
73.02888	2.8
77.03915	1.3
79.05479	79.5
81.03415	8.2
81.07040	99.8
82.07371	1.4
83.04971	9.9
83.08604	13.9
85.02882	11.1
85.06533	4.2
86.09677	1.6
87.04429	0.9
91.03930	2.5
91.05463	69.6
92.05772	0.9
93.07026	88.0
95.04950	14.5
95.08589	64.0
97.02871	10.0
97.06500	10.2
97.10132	5.7
98.09648	2.9
99.04481	1.2
99.08078	5.7
99.08621	1.0
102.73034	0.9
103.05445	1.7
105.04520	1.4
105.07011	62.0
107.04919	5.8
107.08577	45.8
109.02827	1.9
109.06510	6.3
109.10134	26.3
110.10474	0.9
111.04407	1.7
111.08052	4.8
113.09618	1.0
115.05415	3.3
117.06201	1.5
117.06993	23.4
118.21236	0.8
119.08564	47.1
121.06483	3.7
121.10119	36.0
123.08046	4.9
123.11681	7.8
124.99880	1.0
125.09596	2.2
127.03880	5.0
127.07557	1.3
128.06158	2.1
129.05486	6.8
129.06972	9.5
131.04958	0.8
131.08549	33.8
133.06448	1.8
133.10109	40.7
134.10414	1.3
135.08012	3.7
135.10664	1.5
135.11665	23.9
137.09557	3.4
137.13222	2.3
139.11153	0.9
141.06931	2.0
142.07736	1.7
143.08548	11.5
145.04871	2.0
145.10094	22.6
147.08002	2.7
147.11656	29.2
149.09549	7.9
149.12140	1.5
149.13228	15.4
151.11147	2.6
155.08499	2.9
157.10094	11.2
159.10416	1.6
159.11664	23.0
161.09514	2.0
161.13228	15.1
163.11185	5.3
163.14827	4.4
165.12773	1.2
169.10056	3.6
171.11665	9.7
173.04510	1.3
173.09540	0.9
173.13225	14.5
175.14775	6.3
177.12758	4.3
179.14307	2.3
181.10117	1.4
183.11626	3.2
184.07271	4.3
185.09592	1.4
185.13261	7.4
187.14833	4.9
189.16338	1.4
195.11931	1.3
195.13770	4.2
197.13226	2.2
199.14763	4.4
201.16331	2.6
203.14410	1.2
203.17772	1.0
209.13197	1.5
211.14803	2.2
213.16360	2.3
215.14221	0.9
215.17877	2.0
217.15874	1.9
217.19478	1.2
219.17467	1.2
225.16275	1.2
225.87830	0.9
227.17973	1.2
229.19417	2.4
231.17468	1.1
231.21039	3.0
233.15315	1.1
235.16870	1.1
239.17940	3.4
241.19507	10.4
243.12210	0.9
243.20979	3.0
257.18921	8.2
259.20538	33.0
261.14783	1.1
261.22092	12.4
269.17447	8.1
273.18433	1.1
275.20032	16.5
277.21677	2.0
281.17377	1.1
291.19592	1.0
293.17630	1.2
293.21097	2.8
303.23465	1.1
309.20538	1.3
315.23203	1.8
317.24734	1.3
325.25317	1.1
331.22528	2.6
333.24219	25.1
335.25742	79.0
336.26001	4.7
337.27054	3.1
349.23685	10.1
381.31287	0.9
413.21765	1.5
489.35580	1.2
503.37033	1.6
515.37360	1.1
519.41663	3.5
527.37811	0.9
529.38806	40.3
530.38910	1.8
537.42926	1.2
541.38757	3.3
569.41663	4.4
575.44189	1.0
593.45422	6.9
609.44891	4.8
611.46594	30.2
612.46564	1.6
627.45715	4.3
666.19470	0.9
737.49457	1.1
737.65283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	1.7
61.02912	2.9
61.94275	0.7
65.03928	2.6
67.05498	45.3
69.03410	1.9
69.07062	15.8
69.07438	0.9
69.41425	6.3
71.04978	2.1
71.07368	0.7
71.08609	1.5
73.02923	1.3
77.03910	0.9
79.05483	41.6
81.03407	1.6
81.07047	42.1
83.04967	2.1
83.08605	8.9
85.02907	3.1
85.06537	3.0
86.09702	7.9
86.87566	0.7
91.05473	43.9
93.07034	42.6
95.04965	4.7
95.08596	37.8
96.05816	0.6
96.08946	0.7
97.02879	1.9
97.06521	4.6
97.10157	3.6
98.20699	0.7
99.08071	1.0
103.05450	2.3
105.04536	1.3
105.07020	44.4
107.04973	1.5
107.08584	24.6
108.08868	0.6
109.06536	3.3
109.10149	15.6
111.08080	2.5
115.05457	2.4
116.06218	1.2
117.07005	21.1
119.06195	0.9
119.08568	32.6
121.06526	1.2
121.10126	19.9
123.08038	1.9
123.11713	3.4
124.99993	5.1
125.09615	1.7
127.03950	0.8
128.06219	2.8
129.05533	0.8
129.06996	14.8
129.07895	1.2
130.07814	1.1
131.08554	25.6
132.71085	0.7
132.98431	0.6
133.06528	0.8
133.10115	24.5
135.08000	1.1
135.11670	9.4
137.09599	1.4
137.13194	1.6
139.11169	0.8
141.06987	5.5
142.07747	2.3
143.08536	17.8
144.09326	1.1
145.06490	1.1
145.10106	26.3
147.11673	14.3
147.12767	1.0
149.09615	1.7
149.13248	6.1
153.06918	0.8
154.07722	1.5
155.08527	11.3
156.09290	1.1
157.10112	15.3
158.10593	0.6
159.08121	1.1
159.11674	17.7
161.09563	0.9
161.13232	8.0
163.11139	0.7
163.14836	2.1
165.16418	0.7
166.07712	0.9
167.08534	4.4
168.09331	1.9
169.10106	12.3
171.11676	15.5
172.12186	0.8
173.13240	12.1
175.11177	0.7
175.14804	3.8
177.12735	1.2
177.16350	1.7
179.08537	1.1
180.09424	1.3
181.10101	6.6
182.10899	1.6
183.11690	13.2
184.07314	25.2
184.12212	1.0
185.09569	0.7
185.13222	9.5
187.11209	0.9
187.14816	6.0
189.12787	0.8
189.16396	2.5
190.59691	0.7
191.14299	0.9
191.18010	1.2
193.10176	2.4
195.11655	8.1
197.13248	10.4
199.11334	0.7
199.13283	1.1
199.14839	5.7
201.16389	2.3
203.17990	1.9
205.10147	0.9
207.11716	2.2
209.13251	5.3
211.14810	5.7
213.12811	0.9
213.16402	4.2
215.18010	2.1
219.11659	1.1
221.13321	2.6
223.14807	4.4
225.16389	3.9
227.16087	1.0
227.17935	2.2
229.19508	1.5
231.17563	0.8
231.21059	1.7
233.13232	1.0
233.18997	0.9
235.14725	2.3
237.16293	3.3
239.18069	3.5
241.19548	2.9
243.21275	0.8
247.14717	0.8
249.16492	1.0
251.17938	2.3
253.19566	1.3
255.17397	1.2
257.18964	4.1
259.20511	5.2
261.16156	0.7
261.22119	1.5
263.17850	0.8
265.19568	1.0
271.20496	1.4
273.22067	0.8
275.20306	1.4
281.22662	0.8
283.20560	1.3
285.22266	0.8
291.20966	1.0
297.22214	1.1
299.23593	1.2
301.21497	0.9
306.41235	0.7
309.21964	0.9
311.23773	2.2
313.21637	1.4
323.23477	1.6
325.21848	1.3
325.25427	1.3
327.23148	1.2
327.26920	0.8
331.22830	1.4
333.24261	6.3
335.26111	4.0
337.25104	1.0
339.23083	1.2
339.26859	1.4
341.24768	1.0
347.23642	0.8
349.24347	1.0
351.26749	2.6
357.24152	0.7
363.26892	1.1
365.28372	2.4
367.26065	1.0
369.27673	1.0
377.28259	0.9
379.30222	1.5
391.29874	1.0
393.27902	1.5
403.29297	0.8
407.29279	1.1
419.28705	0.8
421.31131	1.4
435.32410	0.9
447.32510	1.9
461.33575	0.7
465.34302	1.0
473.32715	1.1
475.35141	1.0
479.34930	0.8
487.34106	1.1
501.36038	3.1
513.35980	1.9
515.37524	3.4
517.40558	9.2
521.36432	0.9
525.35529	1.0
527.37488	1.5
535.41565	4.4
539.37500	3.0
540.37952	1.3
541.38824	1.0
573.42957	0.9
591.44086	9.0
607.43549	0.7
609.45056	100.0
610.45599	7.5
621.45166	1.8
633.45166	0.9
651.45923	0.7
717.46155	0.9
735.48138	1.1
753.49341	0.9
771.50153	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	824.5495
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34573	0.9
61.02904	3.2
65.03922	3.6
67.05492	84.8
69.03425	7.5
69.07055	25.5
71.01320	0.8
71.04990	4.1
73.02892	0.8
73.06572	0.8
77.03935	1.4
79.05477	59.8
81.03413	9.7
81.07042	88.3
82.07380	1.0
82.73963	0.8
83.04970	10.2
83.08611	12.4
85.02879	4.8
85.06541	3.2
86.09699	2.5
91.05464	45.5
92.44756	0.8
93.07025	72.8
95.04952	9.9
95.08588	59.0
96.08902	1.2
97.02898	5.7
97.06508	11.3
97.10153	4.8
99.08083	3.3
103.05434	1.7
105.07011	35.1
107.04937	4.6
107.08569	38.3
109.02856	2.5
109.06483	6.8
109.10132	22.5
111.08064	3.6
115.05425	2.4
117.07004	16.1
119.08562	25.9
121.06473	3.4
121.10115	26.7
123.08041	3.2
123.11685	7.0
124.99995	1.7
125.09624	4.5
127.03906	2.2
128.06210	2.1
129.05502	1.7
129.06949	4.7
131.08542	21.2
133.10106	23.6
135.08025	3.4
135.11662	17.7
137.09592	3.2
137.13228	1.8
139.11201	1.6
139.41333	0.9
141.06938	1.3
143.08540	5.4
144.09364	1.2
144.46053	0.8
145.04877	1.3
145.06470	1.9
145.10109	16.7
147.08018	1.4
147.11656	11.9
149.09589	5.9
149.13223	11.1
151.11143	2.1
155.08533	2.5
157.10094	5.5
159.11639	13.8
159.12839	1.2
161.09604	1.5
161.13239	6.7
163.11198	5.0
163.14796	3.3
165.12802	1.0
169.10124	2.5
171.11668	4.3
173.04448	2.6
173.13211	6.8
175.14806	1.8
177.12666	4.3
183.11671	2.6
184.07324	6.0
185.13205	2.1
187.14832	2.6
189.11182	1.6
195.13803	3.0
197.13150	1.3
199.14833	2.1
201.16351	1.0
210.65550	0.9
211.14810	1.0
217.15904	1.2
227.12695	2.2
229.14328	3.9
229.19438	1.0
235.16873	1.8
239.17899	2.3
241.19592	1.3
243.21022	3.1
247.20506	2.0
255.15881	6.5
257.19000	6.2
259.20590	2.7
261.22116	11.9
267.15881	1.4
269.17404	17.9
275.19983	20.9
291.19577	1.6
293.20898	1.5
299.20319	0.9
309.20554	2.9
317.24777	2.4
318.25848	1.1
321.24451	0.9
331.22531	2.5
333.24124	1.9
335.25735	100.0
336.26065	2.5
349.23660	20.4
367.24533	2.0
381.65213	0.9
428.59738	1.1
489.35675	5.5
501.34805	1.0
515.37195	15.6
516.37714	1.0
529.38806	63.8
530.39124	3.1
547.39569	1.2
569.41949	9.3
570.41827	1.1
609.44983	29.7
610.45422	1.5
614.64209	1.2
627.46112	7.7
649.39233	1.3
673.42554	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.4
61.02902	3.9
62.07346	0.8
65.03917	3.8
67.05494	88.0
69.03427	7.4
69.07059	32.8
69.46436	8.0
71.04964	3.6
72.60284	1.0
73.02901	1.6
76.01610	0.9
79.05479	60.2
81.03404	6.2
81.07045	78.3
82.07384	1.2
83.04966	6.9
83.08605	13.9
85.02896	5.6
85.06521	4.1
89.52102	1.0
91.05466	50.1
92.05815	1.1
93.07028	70.8
95.04957	11.2
95.08593	61.3
95.09070	1.2
95.09216	1.8
97.02875	5.8
97.06521	9.6
97.10146	13.5
98.21434	2.2
99.04433	1.6
99.08080	3.0
101.06023	1.1
101.32449	1.0
104.65733	0.8
105.04513	1.0
105.07011	44.4
107.04955	6.8
107.08576	47.3
109.02892	1.4
109.06506	5.6
109.10142	29.0
111.04457	1.1
111.08066	5.0
113.09618	1.8
115.05418	1.4
117.07000	18.6
119.08563	31.0
121.06472	3.1
121.10126	28.9
123.08004	3.4
123.11707	6.4
123.87133	1.0
125.09611	6.9
127.03890	3.0
128.06180	1.6
129.05490	1.7
129.06995	6.3
131.08540	25.6
133.10110	24.4
135.08014	3.3
135.11678	18.2
137.09583	3.5
137.13234	1.5
139.11131	1.9
141.06944	2.6
143.08524	6.0
145.10095	23.4
147.08038	2.0
147.11665	18.2
149.09569	8.7
149.13206	8.3
151.11139	2.4
153.09055	1.1
154.07666	1.2
155.08502	2.8
157.10059	5.1
159.08015	1.2
159.11662	17.4
161.09671	2.3
161.13190	7.6
161.93358	1.1
163.11154	4.6
163.14758	3.3
165.12752	1.7
169.10127	3.8
171.10320	1.1
171.11642	5.9
173.11696	4.5
173.13229	10.7
175.11134	1.9
175.14812	2.8
176.58939	0.9
177.12695	3.1
177.16249	1.2
179.14326	1.6
183.11679	3.7
184.07297	4.8
185.13235	7.2
187.11111	1.6
187.14777	3.9
189.11171	5.1
191.14291	1.2
195.11726	1.9
195.13606	1.9
197.13228	3.3
199.14865	1.4
201.16272	2.0
203.14320	2.6
205.12222	1.1
209.13197	1.1
211.14787	1.7
215.17859	1.5
217.15912	1.2
219.17380	3.0
225.16414	1.5
227.12730	12.6
229.14262	9.7
229.19429	2.1
239.17952	4.8
243.21037	4.0
245.13785	1.4
247.20633	2.3
255.15869	3.6
257.18988	10.6
259.20535	3.7
261.22058	10.5
267.15811	1.4
269.17465	8.1
275.20010	35.1
291.19461	1.8
293.20984	3.1
294.45294	1.5
297.22067	0.9
313.21442	1.0
317.24789	1.8
331.22620	4.4
333.24139	3.3
335.25745	100.0
336.26041	2.6
349.23657	37.7
367.24808	2.5
373.18604	1.1
431.31366	1.8
489.35733	11.6
505.35187	3.5
515.37128	7.9
517.39771	1.7
529.38739	14.5
535.41321	1.9
545.38416	1.7
569.41510	4.1
591.44031	1.4
609.45050	56.8
610.44952	1.5
627.46106	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	824.55
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04976	0.9
61.02910	1.6
62.14427	0.7
65.03934	3.4
67.05494	59.9
68.05824	0.9
69.03420	6.1
69.07056	26.3
69.86844	4.4
71.04996	3.5
71.08608	1.4
71.27042	0.7
73.26891	0.7
77.03912	1.1
79.04994	0.9
79.05481	58.5
81.03400	5.9
81.07045	63.0
82.07364	0.8
83.04967	5.6
83.08606	21.3
85.02897	3.3
85.06535	2.8
86.09718	1.8
87.04477	1.1
90.89302	0.7
91.03931	1.1
91.04889	1.4
91.05464	39.3
93.07030	54.4
95.04955	7.6
95.08591	43.4
96.08923	1.0
97.02882	3.1
97.06510	9.0
97.10153	27.2
98.20680	0.7
99.08079	1.4
101.02349	0.7
105.04470	1.3
105.06301	1.2
105.07012	36.5
107.04946	6.8
107.08578	58.1
108.08907	0.9
109.02848	2.2
109.06518	7.0
109.10133	19.4
111.08054	3.7
115.05434	1.1
117.06999	11.8
119.08560	24.7
121.06484	2.6
121.10124	21.3
121.11000	1.1
123.08083	2.8
123.11691	6.7
124.99997	1.6
125.09611	22.6
127.03934	2.0
128.06174	0.8
129.07010	3.9
131.08543	18.6
133.10110	20.3
135.08012	5.2
135.11670	14.2
137.09584	2.4
137.13220	1.3
141.07025	1.0
143.08543	3.4
143.10655	1.0
145.10092	18.0
147.07974	1.3
147.11661	15.9
149.09598	10.1
149.13216	6.4
151.11220	1.8
153.09067	1.9
154.07693	0.7
155.08572	1.5
157.10126	4.1
159.11671	11.7
161.09576	1.7
161.13245	7.5
163.11137	5.1
163.14801	1.9
165.12779	1.0
169.10120	2.8
171.10236	1.7
171.11700	5.0
173.11839	1.5
173.13222	7.4
175.11093	1.1
175.14774	2.2
177.12759	2.1
179.14299	1.9
181.12270	1.0
183.11684	2.6
184.07314	6.8
185.13150	4.4
187.11183	1.5
187.13293	0.9
187.14838	3.0
189.11172	10.7
191.14369	1.1
197.13306	1.6
199.14864	2.2
200.30051	0.7
201.12804	1.3
201.16426	1.3
203.14262	1.3
205.15829	0.9
209.13191	0.9
211.14801	1.5
213.16270	1.1
215.17960	1.1
219.17447	2.4
227.12743	30.1
229.19534	1.6
239.17976	3.5
241.19426	1.4
243.21170	2.3
245.13863	2.2
253.18004	0.8
257.18961	8.6
259.11948	0.9
259.20670	3.4
261.22086	12.5
262.55164	0.8
267.15967	2.1
275.20013	38.7
276.20367	1.4
277.21671	1.6
293.21014	1.6
303.23306	1.0
311.22141	0.8
315.23019	0.8
317.24728	3.1
329.28534	0.8
331.22644	4.7
333.24197	4.5
335.25754	81.2
336.26096	2.3
349.23688	59.8
350.24063	1.9
351.25223	2.6
389.18069	2.6
431.31699	1.7
441.33618	0.9
487.34332	2.7
505.35184	17.1
511.29111	1.1
513.39178	1.3
515.37463	2.2
517.40533	2.0
535.41290	0.9
553.42072	1.2
555.40411	2.0
591.44238	1.3
609.45026	100.0
610.45276	6.1
627.46100	18.3
628.46283	1.1
649.39429	3.0
753.70123	0.9
771.49829	1.1
825.47015	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	824.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.2
61.02907	2.8
62.05667	0.8
65.03938	1.8
67.05491	70.3
67.22414	1.0
69.03423	7.1
69.06731	0.8
69.07053	20.5
71.01354	1.3
71.04985	9.0
71.62570	2.0
73.02901	1.6
76.15534	0.9
77.03914	1.3
79.05477	41.3
81.03403	72.2
81.07041	53.0
83.04958	9.3
83.08610	26.7
85.02889	5.6
85.06534	3.9
86.09690	3.9
91.03925	1.4
91.05464	38.0
93.07028	40.2
94.07366	1.4
95.04951	31.8
95.08586	26.8
97.02877	4.1
97.06512	14.8
97.10152	15.3
99.04433	1.1
99.08071	3.0
103.05455	2.6
105.07014	31.4
107.04924	13.7
107.08572	30.8
109.02882	1.9
109.06489	10.7
109.10135	40.5
111.04417	2.9
111.08049	11.3
113.05985	1.5
115.05407	1.7
115.07558	2.1
116.42076	0.9
117.06995	11.8
119.04874	1.5
119.08559	27.5
120.08926	0.9
121.06495	11.0
121.10123	17.5
123.04409	3.2
123.08020	5.2
123.11659	4.8
124.99994	1.8
125.05923	1.1
125.09616	13.0
127.03900	1.7
128.06213	1.2
129.05505	1.7
129.06976	12.7
131.08537	20.7
133.06464	5.1
133.10109	21.5
133.11063	1.6
135.04362	1.2
135.08031	6.8
135.11676	14.3
137.05952	2.3
137.09592	6.4
137.13345	1.1
139.03874	2.1
139.11134	2.4
141.06956	2.7
142.07805	1.9
143.08559	6.7
145.06471	4.1
145.10075	13.3
147.04407	2.6
147.07974	7.5
147.11664	18.6
149.09602	13.6
149.13229	6.8
151.11171	4.4
153.09087	2.0
153.12704	1.0
155.08537	2.8
155.10652	1.4
157.06438	1.3
157.10118	14.3
159.08020	2.1
159.11623	7.4
161.09578	3.9
161.13220	4.4
163.11128	9.0
164.11603	1.0
165.09193	1.2
165.12711	3.0
167.07022	1.5
167.08569	1.3
169.10071	3.5
171.08113	1.3
171.10223	1.6
171.11684	5.0
173.09573	1.8
173.11729	13.5
173.13261	3.1
175.11185	10.9
175.14897	1.1
177.12743	3.2
181.10185	1.3
181.12212	2.1
183.11691	3.3
184.07312	11.2
185.09679	1.9
185.13223	3.3
187.11156	1.0
187.14786	1.5
189.09125	1.5
189.11189	4.7
189.12750	1.4
193.10454	1.5
193.12198	26.6
195.11754	1.7
195.13606	1.5
197.13228	1.5
199.14857	2.4
201.12802	1.1
205.12192	1.8
209.11600	1.2
209.13344	1.4
211.13194	4.9
213.12825	1.9
217.15886	2.4
219.13802	1.1
221.13358	1.2
225.12738	1.2
227.12746	8.6
229.14302	39.7
229.16527	2.0
241.09027	1.1
249.14828	2.6
255.15836	9.1
257.18997	3.6
267.15869	100.0
268.16260	3.4
269.17450	7.5
273.14688	1.7
273.18604	1.5
275.20004	17.9
283.15457	1.2
285.16916	4.1
291.19580	1.7
293.21072	4.2
299.20013	1.7
315.23456	1.3
347.21973	1.3
349.23676	12.9
351.23215	1.1
367.24734	18.9
368.25165	1.1
369.24060	2.3
373.23828	1.2
387.25177	2.7
403.24756	2.4
421.25793	57.5
422.26053	3.0
425.26532	1.3
433.29837	1.2
435.27194	1.4
437.29279	1.8
443.27802	7.1
447.27283	17.3
448.27621	1.4
449.30353	2.0
459.27341	2.0
461.28931	51.3
462.29123	3.5
463.26593	1.6
465.28381	35.1
466.28839	3.7
467.31299	2.3
475.30472	2.9
477.28326	2.7
479.29980	2.9
485.32462	2.6
493.31537	24.4
501.31836	2.6
503.29880	1.8
523.33990	3.0
541.35175	60.7
542.35626	3.4
547.28625	1.8
559.36200	63.9
560.36401	4.0
573.37848	2.7
583.36652	1.9
587.31885	1.5
591.37885	3.9
605.33301	2.2
623.34308	1.3
655.36682	1.3
824.43439	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	11.0
57.07069	3.8
60.08139	1.1
61.02905	1.6
62.19551	0.7
65.03930	4.5
65.98571	0.8
67.05495	97.7
69.03423	5.6
69.07060	26.6
69.07442	1.2
71.04990	6.6
71.08600	0.8
71.33754	1.8
77.03924	1.3
79.05481	63.2
81.03412	9.7
81.07047	100.0
83.04475	1.2
83.04971	24.6
83.08612	11.2
85.02894	3.9
85.06515	6.5
86.09692	5.5
91.03941	1.3
91.05466	65.3
93.07030	73.3
95.04958	16.0
95.08591	53.8
96.08892	1.1
97.02873	3.0
97.06520	8.5
97.10152	5.2
99.04439	2.4
99.08057	1.8
101.05992	1.4
103.05442	2.3
105.04501	1.0
105.07016	61.2
106.07346	1.6
107.04945	10.0
107.08582	55.6
109.06501	10.2
109.10139	63.6
111.04417	2.2
111.08075	5.4
113.06009	2.7
115.05437	2.1
117.06995	14.3
119.04939	1.4
119.08559	23.7
121.06491	9.5
121.10129	24.9
123.04409	1.7
123.08056	9.1
123.11685	13.3
125.00011	3.5
125.09627	2.9
127.07547	2.4
128.06206	2.1
129.07008	5.3
130.07793	1.0
130.41179	0.8
131.07568	1.3
131.08548	21.0
133.06488	6.8
133.10112	77.2
135.08049	11.5
135.11670	16.3
137.05927	1.0
137.09581	6.0
137.13228	1.6
139.07536	2.0
141.06937	1.6
142.07756	1.3
143.08540	6.3
145.06448	2.0
145.10101	12.5
147.08014	6.9
147.11676	11.9
149.09586	11.1
149.13266	5.3
151.09933	1.6
151.11160	31.3
153.12729	1.2
155.08542	1.5
157.08990	1.1
157.10123	7.2
159.08015	3.2
159.11685	7.5
161.09618	9.3
161.13225	6.2
163.11140	3.5
163.14790	3.5
165.09157	1.9
165.12869	1.0
167.08687	1.1
169.10117	2.2
169.12172	4.3
171.11649	6.5
173.09636	1.9
173.13208	5.7
175.11108	4.6
175.14813	1.9
177.09113	3.1
177.12770	1.3
177.16266	0.8
179.10652	2.0
181.09929	1.0
184.07327	14.7
185.07681	0.9
185.13237	3.0
187.11107	1.2
187.14825	2.2
189.12706	2.4
191.14343	0.9
197.13240	1.1
199.11147	1.7
199.14845	1.6
202.15894	1.5
203.14310	0.9
207.13832	1.5
213.16371	1.7
215.12674	3.9
217.12244	1.2
223.13113	1.1
227.17885	2.0
231.13838	0.8
233.15381	1.1
241.19359	1.0
243.21057	2.7
245.18988	7.9
251.12711	4.1
253.14325	86.1
254.14658	1.6
255.17374	2.9
257.19022	1.0
259.20557	2.5
261.22137	12.8
263.20035	4.9
271.15451	1.9
273.18469	34.7
275.20038	2.0
291.19507	34.7
300.13626	2.2
309.20526	2.5
317.24835	1.4
329.21191	0.9
333.24173	1.7
335.25748	73.1
336.25986	2.7
340.06610	0.9
347.22098	12.3
349.23752	1.5
363.25183	1.8
365.23178	59.8
366.23358	1.7
439.31860	2.2
457.33038	2.9
489.35870	1.4
513.35699	8.5
529.35034	2.7
531.36646	13.7
545.38184	1.0
551.41473	1.1
607.43427	10.4
625.44556	97.0
626.44598	5.8
643.45294	2.4
761.90753	0.9
782.29321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	6.2
65.03916	1.1
67.05490	33.2
69.03421	3.6
69.07053	10.7
69.29495	5.1
71.01331	2.6
71.04973	4.8
73.02919	2.4
77.87468	0.5
79.05476	31.9
81.03400	37.6
81.07037	24.4
83.04963	13.0
83.08142	0.8
83.08600	14.0
85.02888	17.3
85.06516	3.7
86.09669	1.2
91.03938	5.1
91.04887	0.8
91.05460	22.0
93.07024	33.1
95.04949	15.3
95.08044	0.8
95.08587	9.9
97.02881	5.5
97.06509	9.6
97.10157	8.7
99.04400	1.6
99.08030	1.6
103.05397	0.9
105.07012	13.0
107.04925	4.5
107.08573	25.4
107.15748	0.5
109.02833	1.6
109.06500	3.8
109.10131	6.5
111.04394	2.0
111.08060	6.9
111.11680	0.9
113.05952	1.7
115.05402	0.7
117.06973	4.3
119.04890	1.2
119.08553	13.3
120.08905	0.5
121.02846	0.5
121.05736	0.6
121.06487	5.3
121.10120	12.1
123.04385	2.4
123.08013	1.7
123.11642	2.1
125.05962	0.7
125.09626	3.5
127.03874	3.2
127.07485	1.2
129.06981	5.9
131.08546	6.3
133.06410	1.9
133.10112	10.1
135.04366	0.6
135.08026	1.9
135.11661	36.7
137.05914	1.0
137.09589	2.8
139.03825	1.0
139.07452	0.6
139.11099	1.6
142.07707	1.3
143.08507	1.1
145.04918	1.7
145.09029	0.7
145.10086	8.0
147.04387	2.8
147.07967	2.0
147.11656	9.4
149.05922	0.5
149.09573	4.3
149.13196	2.2
151.03900	0.8
151.07466	0.8
151.11133	1.3
152.05611	0.6
153.01791	4.5
153.05446	0.8
153.12698	1.7
157.08922	0.7
157.10103	8.2
159.08038	0.6
159.11658	1.0
163.03824	1.6
163.05971	1.7
163.11154	6.9
165.05470	0.5
165.08981	0.8
165.12675	1.8
167.07056	0.8
171.02872	4.0
173.09595	0.7
175.11128	8.7
175.14771	1.8
177.16353	2.9
181.12170	7.3
183.02878	0.6
184.07295	2.0
191.10518	0.9
193.12209	24.8
193.15862	0.8
195.02939	0.8
199.13237	0.8
203.06883	0.6
205.08650	0.5
209.11710	0.8
211.13248	24.4
212.13692	0.6
227.12698	1.2
229.14357	0.8
249.14810	0.7
255.15860	80.4
256.16174	1.7
267.15866	19.2
268.16406	0.7
271.05942	0.7
273.07495	1.1
285.16891	19.8
289.07025	3.3
301.16321	0.8
313.17776	1.4
321.24030	0.6
331.18927	1.3
351.08664	0.7
403.24628	0.7
421.25681	3.5
429.26315	1.7
447.27338	49.7
448.27551	1.1
465.28394	100.0
466.28873	2.8
483.23523	1.5
493.22217	0.7
591.32635	0.6
595.45410	0.6
609.32727	1.9
612.34485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03226	0.5
57.03435	5.7
57.07055	2.0
65.03922	2.4
67.05493	38.9
68.25770	0.5
69.03387	1.3
69.07055	30.6
70.53602	0.6
71.04977	2.4
71.62788	0.5
71.63184	0.7
73.06550	0.8
77.03914	1.0
79.05482	39.5
81.03405	6.8
81.07044	54.9
83.04968	6.3
83.08607	8.1
85.02905	0.8
85.06528	3.1
86.09692	1.9
86.89685	0.6
91.05465	63.7
92.05780	0.9
93.07027	45.7
94.07325	0.8
95.01308	6.8
95.04956	10.2
95.08591	36.9
97.06517	18.8
97.10117	3.2
99.08069	2.3
103.05446	2.2
105.04491	1.7
105.07013	85.8
106.07329	0.7
107.04939	13.7
107.07845	1.3
107.08575	23.3
109.06493	4.6
109.10131	10.0
111.04424	1.2
111.08050	2.8
113.05994	0.5
113.09631	1.1
115.05451	1.7
117.07005	17.3
118.07802	0.7
118.40728	0.6
119.04890	0.7
119.08561	53.3
121.06445	3.1
121.10123	13.5
123.04440	1.4
123.08050	4.8
123.11696	2.6
124.99991	1.6
125.09612	2.2
127.07529	0.6
128.06204	1.5
129.05457	0.9
129.06966	7.0
130.07796	1.3
131.07559	1.2
131.08542	24.0
132.08965	0.5
133.06464	1.9
133.10107	48.1
134.10439	1.0
135.08034	3.5
135.11665	11.2
137.09578	2.9
139.07504	0.8
141.06961	1.6
143.08533	7.0
144.09326	0.7
145.06480	2.4
145.10098	21.6
147.08032	1.7
147.11659	26.3
149.09604	5.8
149.13239	6.7
151.11172	2.5
155.08551	2.0
157.10117	6.6
158.07323	0.5
159.08026	1.3
159.11662	16.9
161.09625	1.4
161.13235	15.2
163.11127	3.7
163.14813	1.7
165.09113	1.4
165.12804	0.8
169.10095	2.8
171.10260	1.0
171.11639	7.1
173.13225	6.5
174.13809	0.6
175.14806	7.7
177.12740	3.4
179.14282	10.6
181.10117	0.8
183.10139	0.6
183.11632	2.8
184.07307	6.8
185.07663	0.9
185.13252	5.0
187.11183	3.4
187.14850	1.9
189.12717	0.9
189.16408	0.9
195.13872	0.9
197.13249	2.5
199.14749	2.8
201.16370	0.6
203.14352	0.7
205.12222	0.6
209.13330	0.7
211.14828	1.4
213.16399	1.1
215.14316	0.7
215.18042	1.0
217.19534	1.0
219.17505	2.0
229.19414	1.1
231.17336	0.7
231.21072	2.5
239.17934	1.8
241.14241	0.8
241.19461	14.3
242.19778	1.3
247.20618	1.1
257.18973	6.0
259.20541	24.3
260.20844	0.7
273.18484	1.0
275.20013	56.2
276.20477	1.3
277.21606	1.8
279.15939	1.5
293.21097	3.3
313.21548	0.9
315.23129	7.9
331.22748	1.3
333.24164	46.5
334.24484	1.6
347.22278	0.8
349.23685	45.6
350.23849	1.3
351.25262	1.2
501.35562	0.7
511.38171	1.1
513.35620	2.6
515.38727	0.7
527.37225	1.3
533.39935	1.5
543.74933	0.7
551.41052	2.0
589.42554	0.8
607.43469	100.0
608.43781	6.8
614.42719	0.6
625.44495	13.4
626.45032	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	9.5
57.07050	2.2
61.02894	1.8
65.03918	3.6
67.05489	84.2
69.03407	5.5
69.07050	20.5
71.04969	5.2
71.23136	1.9
72.37423	1.0
77.03946	0.9
79.05475	50.8
81.03415	5.9
81.07036	86.1
82.07374	1.0
83.04963	15.6
83.08601	10.2
85.02883	2.2
85.06513	5.8
86.09663	3.1
91.05458	61.8
92.30914	1.1
93.07021	61.4
94.07362	1.1
95.04948	12.7
95.08584	43.1
97.02828	1.8
97.06496	7.1
97.10120	2.6
103.05419	1.6
105.04509	1.5
105.07006	51.6
107.04911	6.9
107.08565	46.4
109.06494	10.6
109.10131	55.7
111.04449	1.2
111.08051	4.0
113.06001	1.8
115.05450	1.8
117.06998	9.6
119.08556	14.9
121.06474	6.3
121.10110	21.3
123.08039	4.0
123.11678	9.7
125.00051	0.9
125.09590	2.8
127.07523	2.8
128.06174	1.1
129.06970	3.0
131.08533	16.2
133.06474	3.6
133.10098	67.6
135.08028	8.3
135.11668	10.8
137.09601	2.1
142.07820	0.9
143.08525	5.3
145.06441	1.5
145.10097	10.2
147.08022	3.5
147.11653	8.3
149.09529	6.1
149.13220	6.2
151.11148	27.2
157.10075	2.9
159.07938	1.8
159.11635	7.2
161.09584	6.3
161.13231	3.9
163.11180	2.7
163.14795	2.7
169.12190	4.7
171.11673	4.3
173.13203	5.9
175.11119	2.1
175.14825	1.1
177.09099	1.0
177.12686	1.7
179.10577	2.1
184.07251	6.8
185.07669	1.1
185.13245	2.3
187.11189	1.0
187.14749	1.9
189.12779	2.1
201.16331	1.4
215.12701	4.4
227.17969	1.3
231.17307	1.0
235.16859	0.9
241.19569	1.0
243.21045	4.1
245.18973	4.2
251.12685	1.8
253.14287	100.0
254.14676	1.5
259.20496	2.5
261.22058	11.1
263.20026	3.2
271.15439	1.1
273.18445	21.3
274.18619	1.2
275.19971	1.3
291.19470	24.5
309.20563	2.3
317.24597	1.5
333.24118	2.3
335.25717	91.1
336.26172	3.0
347.22073	10.8
365.23135	34.6
366.23679	1.0
383.23999	1.3
439.31967	2.0
457.33109	2.2
513.35742	6.5
529.35046	3.7
531.36676	36.9
532.36603	1.4
535.84961	1.0
607.43158	9.5
611.46851	1.2
625.44446	79.0
626.44806	4.1
643.44879	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	8.2
57.07025	2.3
58.33298	0.7
59.04964	1.1
61.02884	1.4
65.03882	3.0
67.05493	51.7
67.05829	1.8
69.03411	8.4
69.07056	29.1
69.07416	0.9
69.38280	7.4
71.04929	2.2
73.02878	1.3
79.05475	38.6
80.05778	0.8
81.03403	5.2
81.07041	47.2
83.04956	4.6
83.08603	11.0
85.02856	1.8
85.06473	1.8
86.09653	1.8
91.05463	23.9
93.07026	42.0
94.75866	0.7
95.04958	9.9
95.08588	36.3
97.02867	10.7
97.06516	4.3
97.10143	12.4
98.20725	1.4
102.72456	0.8
105.07013	19.4
105.20065	0.7
107.04929	6.0
107.08575	23.3
109.02802	0.9
109.06497	3.7
109.09466	0.9
109.10136	16.6
109.89777	0.8
111.04335	1.1
111.08030	2.9
117.06329	0.8
117.06989	8.5
119.04876	1.0
119.07808	1.0
119.08562	16.2
121.06451	3.1
121.09325	0.9
121.10120	14.2
122.75871	0.7
123.08067	4.9
123.11635	3.1
124.99944	1.6
125.08852	0.8
125.09594	8.1
128.06171	0.8
129.06960	3.9
131.07721	1.1
131.08546	10.8
133.06409	2.9
133.09239	0.8
133.10115	10.1
134.07202	1.2
135.08018	4.0
135.10710	0.7
135.11662	9.8
137.09538	3.1
137.13216	1.8
139.11064	0.8
142.07745	1.2
143.08556	3.6
145.06403	1.3
145.10104	8.8
147.08043	6.3
147.11685	5.5
149.09546	1.9
149.13234	5.1
151.11113	1.4
153.09084	1.2
155.08479	0.9
157.10049	2.8
159.11642	6.9
161.09552	2.4
161.13171	2.7
162.10349	0.8
163.11079	2.2
163.14719	1.0
165.09058	2.2
169.10121	0.8
171.11583	1.6
173.13184	2.9
175.11134	1.6
175.14717	1.1
177.12666	2.0
184.07323	7.3
185.13284	1.3
187.11105	0.8
187.14738	1.2
189.11139	2.9
189.16411	0.7
193.12144	1.4
195.13705	1.6
201.16360	1.0
205.12112	2.9
215.49922	0.7
223.13254	16.9
227.12654	3.9
243.21089	2.6
245.18950	2.3
249.14798	2.9
261.22095	9.4
263.19897	0.7
267.15833	1.3
273.18475	13.4
291.19482	95.5
292.19879	3.4
317.24695	2.6
335.25732	94.0
336.26138	3.8
347.21899	1.8
347.25781	4.8
349.23608	1.0
365.23151	57.6
366.23428	2.3
378.05295	0.7
505.35159	1.3
513.35547	0.9
527.37573	1.6
545.38269	5.2
607.43445	2.6
625.44513	100.0
626.45105	6.9
650.52643	0.8
681.50934	3.4
779.49097	0.9
822.52582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	24.7
57.07066	2.2
59.04992	5.6
59.51040	0.9
61.02902	3.0
65.03925	5.5
67.05493	94.5
68.05811	1.6
69.03414	11.6
69.07054	45.9
71.01329	3.1
71.04161	2.3
71.04978	13.2
72.79197	1.0
73.02905	2.5
79.05479	57.1
81.03402	100.0
81.07040	71.0
82.02647	1.0
82.07380	1.0
83.04958	13.8
83.08601	30.8
83.09103	1.7
85.02880	9.0
85.06513	7.6
86.09717	1.4
87.04445	2.9
90.20100	0.9
91.05464	68.0
93.07027	52.5
94.07335	1.1
95.04952	42.4
95.08589	38.6
97.02878	7.1
97.06509	16.2
97.10151	12.4
99.04434	4.6
99.08088	2.9
101.02360	1.2
103.03893	1.1
103.05456	1.6
105.07009	42.6
107.04932	16.5
107.08574	28.7
108.08937	1.3
109.02850	3.2
109.06503	10.3
109.10135	48.9
111.04425	4.0
111.08060	13.0
113.06004	1.6
113.09645	1.6
115.05444	3.6
116.06211	2.2
117.07001	16.3
119.04939	2.3
119.08559	38.2
121.06493	10.8
121.10116	24.3
121.10999	1.1
123.04421	3.0
123.08044	7.8
123.11695	3.8
125.05939	0.9
125.09604	12.5
127.03913	1.7
128.06197	2.6
129.05487	2.8
129.06981	16.3
130.07803	1.4
130.29634	1.0
131.04927	1.8
131.08543	26.8
131.09512	2.0
133.06485	6.3
133.10107	22.9
135.08028	6.8
135.11664	15.5
137.06018	1.4
137.09593	15.1
139.11176	2.1
141.06973	3.4
142.07755	3.6
143.08534	5.9
145.06471	3.5
145.10101	15.9
147.08006	6.9
147.11655	18.3
149.09592	24.3
149.13235	4.0
151.11153	4.6
153.09131	2.4
153.12750	1.0
155.08536	4.0
155.10643	3.8
157.06514	1.2
157.10107	14.0
159.08069	2.8
159.11656	9.0
161.09593	3.6
161.13251	4.0
163.11136	13.6
165.09117	1.4
165.12709	3.9
167.08496	1.1
167.10716	1.7
169.10115	3.5
171.04427	1.1
171.08098	1.6
171.10291	2.3
171.11714	4.2
173.04396	1.2
173.09602	2.5
173.11716	13.1
173.13251	4.2
175.11140	13.0
177.12744	4.1
179.10658	1.2
179.14233	2.5
181.12254	3.1
183.11720	2.9
185.09698	1.6
185.13260	3.9
187.11133	1.8
187.13298	2.0
189.11203	5.7
189.12708	2.0
191.10640	4.1
193.10393	1.7
193.12206	35.2
194.12555	1.8
195.11700	2.4
195.13889	1.5
197.13271	2.6
197.15254	1.2
199.11247	1.6
199.13237	3.4
199.14853	1.5
201.12709	1.9
203.10757	1.1
205.12180	2.5
209.11565	1.4
211.13219	6.9
211.14984	1.4
213.03218	1.0
213.12689	3.0
213.14616	1.0
217.12212	0.9
219.13789	3.3
223.13237	3.3
225.14775	5.1
227.12691	12.8
227.14575	1.2
229.14302	43.9
230.14677	2.0
231.13766	2.2
233.15344	1.7
235.13239	1.9
239.17972	1.6
241.14290	2.6
243.13812	1.4
243.15868	7.0
249.14742	6.4
253.14229	2.3
255.15785	8.6
257.19089	2.3
263.20074	1.4
265.14270	2.1
267.15869	96.1
268.16278	3.7
269.17474	3.9
273.14746	2.2
273.18417	5.1
274.19022	1.1
275.20047	15.9
276.20459	1.1
285.16901	2.7
291.19528	10.2
293.21262	1.7
297.22131	0.9
299.18582	1.4
301.14191	1.8
311.19904	1.9
315.17810	1.8
318.46188	1.2
329.21100	5.3
331.22580	1.7
343.22501	1.6
347.22064	2.4
349.23712	20.0
350.24033	2.2
355.22708	2.7
363.21539	1.3
365.23288	5.7
373.18655	1.2
385.23737	1.9
403.24744	3.9
409.25793	2.0
421.20078	2.0
421.25772	37.6
422.26093	1.9
423.27188	2.9
429.26489	1.9
435.27499	7.0
437.25186	1.4
443.27841	1.5
445.29471	2.9
447.27356	29.6
448.27859	2.3
449.30087	3.0
453.28708	1.3
459.26932	1.4
460.27606	1.1
461.28854	3.2
467.30853	1.9
471.27145	1.2
477.28424	1.3
489.27969	2.0
523.34198	1.8
541.35181	41.0
542.35449	3.8
557.34778	6.1
559.36188	11.7
573.37708	1.7
575.35907	1.3
693.25616	1.3
791.18341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	30.3
57.07071	2.6
59.04986	2.0
61.02918	6.0
65.03931	5.1
67.05499	78.3
69.03419	18.3
69.07060	57.6
69.56075	13.3
71.01335	1.9
71.04983	24.6
73.02905	7.3
79.05483	70.7
80.05823	1.9
81.03411	100.0
81.07047	92.2
83.04969	21.3
83.08611	33.7
85.02904	14.3
85.06539	7.7
86.09709	4.1
87.04453	3.1
91.03915	3.1
91.05473	72.4
92.05812	2.0
93.07037	70.2
95.04961	48.5
95.08597	43.2
97.02879	13.2
97.06522	79.3
97.10163	16.6
98.06833	2.7
99.04449	4.6
99.08077	4.2
103.05479	4.7
105.04521	1.7
105.07018	57.7
107.04954	22.5
107.08579	46.8
107.09277	3.2
109.02888	3.9
109.06506	25.0
109.10147	26.2
111.04439	5.9
111.08075	17.3
113.05978	3.6
115.05457	6.5
115.07559	25.5
117.07003	23.4
119.04928	4.0
119.08569	39.8
121.06495	17.6
121.10124	24.7
123.04430	5.1
123.08044	10.8
123.11701	5.8
125.00023	2.7
125.05979	2.8
125.09613	16.8
127.03922	6.4
127.07558	2.3
128.06181	4.1
129.05479	4.9
129.06987	23.9
131.04968	3.5
131.08557	37.7
131.09525	3.2
133.06461	11.6
133.10118	32.8
134.18752	1.7
135.08041	17.7
135.11665	14.0
137.05981	2.9
137.09621	7.1
139.07562	2.8
141.06982	5.6
142.07755	3.5
143.08545	17.0
144.09241	2.0
145.04980	1.8
145.06523	8.4
145.10089	23.0
147.04404	4.1
147.08040	13.6
147.11646	22.3
149.05859	2.4
149.09618	15.4
149.13200	13.2
151.11198	7.4
153.09143	3.6
155.08568	8.7
157.10098	19.6
159.08055	9.9
159.11665	16.2
161.05956	3.0
161.09561	10.3
161.13245	3.4
163.07469	2.2
163.11122	9.7
165.09126	2.1
165.12694	3.3
167.08583	3.7
169.10124	6.2
171.08044	2.7
171.10419	2.1
171.11633	9.3
173.04445	5.6
173.09636	6.7
173.11768	3.1
173.13286	6.2
175.07561	2.9
175.11148	13.5
177.05499	2.1
177.09059	3.4
177.12756	5.7
179.10591	1.7
181.10114	4.2
183.11665	6.7
184.07320	14.7
185.09648	5.1
185.13245	6.7
187.07556	2.5
187.11177	5.2
187.14854	3.2
189.11212	8.2
189.12755	3.3
191.10634	3.9
193.12206	24.6
195.11769	3.7
195.13797	7.5
197.09593	2.0
197.13277	5.8
197.15504	1.6
199.11125	2.7
199.14861	4.1
201.12724	3.5
203.14395	3.8
205.12151	3.4
207.11890	1.9
209.11656	2.7
211.11365	3.0
211.13300	7.1
211.15051	1.8
213.12726	3.2
217.15872	6.6
219.13870	3.8
223.13234	4.0
227.12711	12.6
227.17906	2.1
229.14389	5.3
231.13954	2.3
233.15353	4.8
235.17014	1.8
245.19086	2.7
249.14819	2.5
253.14256	8.6
255.15816	4.7
261.18582	2.4
267.15884	74.4
268.16412	2.1
269.17480	25.3
271.16898	4.9
273.18454	22.9
283.15369	2.5
289.17987	4.9
291.19571	15.9
297.16940	2.6
299.19879	1.9
301.13898	2.5
301.16824	2.9
307.18866	3.4
313.21631	2.6
315.19580	2.3
329.21066	2.2
331.22531	2.3
347.22055	10.0
365.23346	11.7
369.24081	4.9
383.24289	4.3
387.25305	4.0
421.25751	4.0
425.26843	2.7
429.27353	1.7
435.27570	2.9
443.27728	10.6
445.29294	6.0
447.27847	12.0
449.29605	2.0
461.28952	47.7
463.30771	33.5
465.29645	6.5
471.27234	4.5
473.28726	3.1
475.30377	2.4
477.28601	2.7
483.31009	7.8
487.30719	8.4
489.28488	3.9
493.31677	15.1
497.28412	2.0
499.30374	7.0
501.31610	2.1
503.30109	4.4
511.32910	3.8
515.29938	2.3
517.31287	3.6
521.32581	3.0
529.34802	2.6
539.33673	23.7
557.34668	46.3
558.34869	3.6
575.35797	32.0
576.35809	2.5
589.37177	2.6
599.35339	2.0
607.34894	5.2
683.37427	3.1
701.38544	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	822.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.1
57.07077	0.6
61.02927	6.1
65.03941	1.1
67.05496	27.8
69.03417	1.7
69.07061	9.7
69.88280	1.6
71.04985	3.2
73.02911	2.2
74.34114	0.3
77.03880	0.4
79.05486	17.4
79.77431	0.3
81.03411	7.3
81.07050	34.1
83.04984	3.9
83.08613	7.9
85.02900	6.6
85.06524	2.5
86.09701	0.6
91.03954	4.0
91.04888	0.7
91.05471	14.3
93.07034	25.9
95.04974	4.9
95.08598	10.0
97.02878	3.6
97.06522	6.0
97.10165	2.4
97.10677	0.3
97.52211	0.4
98.21439	0.4
99.04453	0.7
99.08075	1.2
101.06030	0.4
103.05434	0.6
105.07019	8.1
107.04945	2.0
107.08583	14.2
109.02898	0.5
109.06499	2.7
109.10143	5.3
111.04456	0.4
111.08072	4.0
113.09608	0.6
115.03904	0.5
115.07572	0.4
117.07003	5.6
119.08578	4.5
121.06503	2.7
121.10122	7.5
121.58293	0.4
123.04411	0.8
123.08042	1.6
123.11694	2.7
125.09622	1.9
127.03920	1.8
127.07512	0.4
129.05466	0.7
129.07010	2.2
131.08557	7.8
133.06487	0.8
133.10123	8.9
135.08072	2.4
135.11682	6.1
137.09625	0.8
139.07561	0.4
139.11136	0.9
141.06981	0.9
142.07759	0.5
143.08527	1.9
145.04924	1.3
145.10089	2.9
147.04369	0.6
147.08046	1.2
147.11685	3.0
149.09610	1.3
149.13239	12.2
151.11200	1.2
155.08572	1.2
157.10115	2.2
159.08069	0.8
159.11670	6.9
161.09616	1.1
161.13260	0.6
163.06024	1.3
163.11160	1.0
165.09085	0.5
167.14143	0.5
169.10110	1.0
171.11717	1.2
173.04471	0.5
173.09671	0.8
173.11801	0.5
173.13216	0.7
175.11168	0.9
177.12715	3.1
181.10118	0.8
183.11700	0.9
184.07306	2.6
185.13280	0.9
189.11172	0.8
193.12260	1.9
195.11934	0.6
195.13797	6.3
197.13263	0.8
199.11259	0.6
209.11600	0.4
209.13350	0.4
211.13260	1.0
213.14684	0.6
215.14526	0.4
217.15894	0.5
221.13289	0.4
227.12833	1.2
229.14268	0.9
233.15399	0.6
251.16417	1.5
255.17595	0.6
267.15869	4.3
269.17450	21.6
270.17679	0.9
273.18527	1.1
283.15393	0.5
285.87518	0.4
289.18033	0.7
291.19550	1.4
297.16840	0.5
301.16507	1.1
335.23477	0.5
347.22458	0.4
353.24719	1.3
365.23187	0.8
371.25903	1.1
383.24243	0.5
389.26688	1.0
413.21915	0.6
427.28500	1.0
437.25256	0.4
445.29465	16.7
446.30090	1.2
459.27145	0.5
461.28732	0.8
463.30505	100.0
464.30841	7.9
465.38327	0.4
481.31519	1.0
487.30197	0.5
539.33807	0.7
547.31641	0.5
557.34735	3.5
571.32330	0.4
575.35986	2.1
589.33893	0.7
607.34650	8.9
699.74438	0.4
822.44641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03178	1.7
57.03431	22.2
57.07067	2.2
59.04989	4.7
61.02927	6.1
61.26197	1.1
65.03929	4.0
67.05497	100.0
68.05806	1.2
69.03423	9.2
69.06707	1.6
69.07059	15.7
70.04183	1.2
70.06592	1.6
70.64040	1.2
71.01347	2.4
71.04966	6.5
71.62318	1.7
73.02901	8.3
75.94084	1.0
79.05483	39.2
80.06260	1.3
81.03412	28.5
81.06572	2.3
81.07048	44.3
82.04183	2.8
83.04971	18.7
83.08604	22.0
84.05770	1.3
85.02894	18.6
85.06526	5.6
86.09697	1.5
87.04445	4.4
91.03938	1.9
91.04958	2.2
91.05476	29.4
93.07033	26.5
95.04962	19.3
95.08596	19.3
97.02882	11.4
97.06523	12.5
97.10162	31.8
98.07305	4.0
99.04429	2.9
99.08080	1.7
101.06000	2.2
103.03945	1.4
105.07021	15.8
105.54332	1.2
107.04940	9.5
107.08578	22.3
109.02853	1.5
109.06491	5.0
109.10140	70.7
111.04419	3.7
111.08067	10.1
115.05434	1.9
116.04703	9.6
117.06987	6.5
119.08562	19.4
121.06483	3.7
121.10136	10.3
123.08027	6.6
123.11657	2.4
125.09615	34.6
127.03880	1.3
127.11158	2.7
129.05460	27.6
129.06999	5.4
130.14442	1.2
131.08540	8.7
133.10127	6.8
135.08032	4.1
135.11661	7.4
137.09602	7.1
139.11177	1.2
142.07706	1.3
143.07030	7.1
143.08508	2.2
143.10667	5.3
145.10101	11.2
147.08012	3.3
147.11641	5.3
149.02324	4.0
149.09593	4.9
153.09105	1.6
153.12721	4.3
155.10646	4.5
157.08592	12.2
157.10103	5.3
158.05746	1.7
161.09630	1.8
163.11151	15.4
165.12732	1.5
171.06538	2.7
171.10138	4.9
171.11537	1.6
173.09569	3.6
173.11731	25.2
173.13133	1.6
175.11189	3.3
181.12178	4.2
184.07330	4.5
185.08095	2.3
185.11661	2.1
189.11205	8.4
191.10672	5.6
193.04927	3.0
193.12238	7.3
199.09738	1.6
199.13266	21.6
200.14128	3.1
201.14839	1.3
209.11705	15.1
211.13229	3.5
217.14326	3.1
227.12743	20.1
228.23193	3.4
229.12053	2.5
229.14322	52.2
242.15201	1.6
244.11797	1.2
244.99446	1.3
245.13776	1.5
255.15865	3.5
257.13855	1.6
267.15912	9.4
269.17438	1.7
283.15350	16.8
284.16061	2.0
285.16980	2.0
301.16406	65.8
311.18530	2.0
326.24500	1.9
353.23041	2.2
371.24396	3.5
383.24228	8.1
399.23749	15.5
421.25568	2.7
425.25473	1.6
437.25302	4.7
438.25815	2.8
451.33170	1.2
455.26303	19.9
509.27533	2.7
527.28448	10.2
541.33636	7.5
545.29291	3.5
553.33746	8.6
607.34509	2.1
625.35767	18.9
626.35303	2.0
822.36884	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	822.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	5.6
57.07081	0.8
57.25454	0.4
59.04973	1.0
60.08146	0.4
61.02915	3.3
65.03920	1.2
67.05495	31.9
68.05833	0.4
69.03426	1.9
69.07061	10.6
70.23321	0.4
71.01328	1.0
71.04988	2.6
71.07383	0.4
71.62899	0.4
73.02898	1.6
74.68818	0.4
79.05481	18.3
79.19543	0.4
80.00591	0.4
80.05810	0.8
81.03411	4.4
81.07043	36.4
82.07385	0.5
83.04968	4.8
83.08603	8.1
85.02892	4.9
85.06522	2.4
86.09658	0.8
87.04443	0.5
91.03952	2.8
91.05464	12.5
91.68024	0.4
93.07030	27.6
95.04953	4.6
95.08589	9.9
97.02878	2.5
97.06507	6.4
97.10160	1.8
99.04456	1.1
99.08080	1.8
105.07015	6.2
107.04955	1.7
107.08580	16.5
109.02880	0.6
109.06538	2.4
109.09448	0.5
109.10146	5.6
111.04472	0.8
111.08057	3.3
113.05999	0.7
113.09592	0.5
115.05430	0.5
116.04659	0.5
117.07009	5.4
119.08570	4.2
121.06489	1.7
121.10126	10.2
121.11000	0.6
123.08025	1.0
123.11672	1.5
125.09607	2.3
127.03882	1.6
129.05475	1.1
129.06995	1.7
131.08549	6.4
133.06566	0.7
133.10110	6.4
135.08031	1.7
135.11682	4.9
137.09578	1.2
139.07538	0.5
139.11177	0.9
143.08536	0.9
145.04906	0.9
145.10103	1.3
147.08029	0.8
147.11670	1.8
149.09641	2.0
149.13237	16.9
151.11145	1.2
153.09042	0.5
155.08479	0.6
157.10106	1.1
159.11650	7.2
161.09607	0.7
163.06000	1.0
163.11147	1.9
164.11876	0.5
165.12785	0.7
166.33980	0.4
171.11707	0.7
173.11739	1.0
173.13225	0.7
175.11163	0.7
177.12733	4.2
184.07285	2.7
185.13179	0.4
189.11259	0.4
193.12224	1.0
195.13776	5.6
197.46339	0.4
199.13242	0.7
209.11726	0.7
211.13380	0.7
213.14790	0.6
227.12743	1.4
229.14355	2.2
251.16373	1.0
253.14261	0.6
255.15599	0.4
257.18924	0.7
267.15872	2.8
269.17435	41.1
270.17877	1.4
273.18484	0.6
275.20004	1.4
281.83707	0.4
283.15475	0.7
285.16943	0.8
299.14850	1.2
301.16473	1.8
318.80713	0.5
349.23819	1.3
365.23407	0.5
385.23364	0.4
421.25870	0.4
439.26913	0.4
445.29568	0.6
455.26337	0.5
463.30502	100.0
464.30826	5.8
477.28162	0.6
478.62064	0.5
557.34576	0.7
573.34552	0.8
607.34680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.1
57.49405	2.9
67.05498	30.8
69.07067	8.7
69.93713	18.8
79.05475	15.5
81.07036	30.6
81.60401	2.8
86.09686	6.1
91.05472	10.8
93.07046	28.0
95.08594	26.6
98.20869	4.3
103.09054	2.9
105.07001	9.6
107.08551	17.9
109.10138	11.7
118.50938	2.9
119.08556	7.8
121.10123	11.1
121.40474	3.0
123.11672	5.2
131.08589	5.6
133.10124	6.6
135.11665	7.9
137.58302	3.4
145.10094	4.9
147.11659	8.2
149.13240	7.6
159.11691	7.2
161.13173	5.3
163.14792	4.3
175.14854	3.1
184.07317	15.5
219.17365	3.2
243.21140	5.0
259.20529	4.2
261.22137	15.9
335.25748	100.0
336.26285	6.1
337.27338	7.8
458.28723	2.9
595.46655	15.4
613.47778	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	821.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	6.2
57.07048	1.5
58.06594	0.6
59.04985	0.6
60.08160	7.1
65.03925	1.4
67.05496	20.0
68.05822	0.6
69.03403	0.8
69.07059	4.2
70.21551	1.0
70.21967	1.7
71.04980	1.1
71.07362	3.0
72.42898	0.6
79.05057	0.7
79.05483	12.5
80.05814	0.9
80.06252	0.8
81.03413	2.6
81.06571	0.8
81.07046	14.8
83.04977	4.8
83.08597	2.7
85.02890	0.7
85.06522	1.4
86.09693	26.8
87.10018	3.8
91.05471	13.9
93.07034	12.0
93.96415	0.6
95.04955	11.0
95.08597	12.7
96.05739	0.6
97.02885	1.4
97.06512	1.9
97.10157	1.1
98.07268	0.7
98.20830	0.7
98.98447	2.4
103.05431	0.6
104.10692	2.8
105.07014	9.6
107.04941	12.5
107.08585	7.0
109.06483	5.2
109.10147	4.7
111.04411	2.5
111.08060	1.5
112.05204	0.6
113.06042	1.1
115.05449	0.6
117.07000	6.5
119.04893	1.1
119.08566	6.4
121.06480	4.1
121.10139	4.0
122.07280	4.1
123.04409	1.1
123.08018	1.5
123.11652	0.8
123.69166	0.6
124.99989	22.4
126.00364	0.9
128.06198	1.3
129.06999	3.3
131.08543	5.7
133.06474	5.3
133.10110	4.8
135.08058	3.3
135.11676	2.5
137.05954	0.7
141.06909	0.9
143.08527	3.1
145.06473	2.9
145.10095	3.5
147.08026	5.9
147.11655	1.8
149.05946	0.6
149.09586	1.0
149.13254	1.2
155.08632	0.9
157.10118	1.5
159.08060	1.4
159.11708	2.6
161.09593	3.9
161.13254	0.9
162.10355	0.9
163.11151	1.5
165.09142	1.0
169.10170	0.8
171.11621	0.9
173.13226	2.3
175.11220	1.0
175.14754	0.9
177.12738	0.7
184.07318	100.0
185.07687	14.3
185.13199	1.1
187.11090	0.9
193.62201	0.6
203.14189	1.5
205.15916	1.1
206.32341	0.6
215.14423	0.7
233.15334	1.9
261.14761	1.4
273.18454	1.5
289.17883	2.0
290.18677	3.5
291.19540	0.8
307.18991	1.7
313.27185	1.6
314.27710	1.0
335.18893	0.6
335.25742	15.5
336.26160	0.9
347.22336	0.7
381.22656	7.0
508.40662	0.9
567.40564	1.1
583.39832	1.0
595.39709	2.0
623.41888	0.8
624.43298	1.3
625.44006	0.8
641.44061	26.9
642.44250	3.0
705.48828	2.1
771.53339	0.9
821.55945	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	820.569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.5
57.07071	1.0
57.67902	0.2
58.06350	0.2
58.06630	0.6
58.75712	0.1
60.08154	6.2
67.05492	2.6
67.83727	0.1
69.03442	0.2
69.07048	0.8
71.07360	3.2
71.08614	0.9
72.65917	0.1
78.05829	0.1
79.05469	1.1
81.03378	0.2
81.07044	2.2
83.04974	0.4
83.08606	0.9
85.06558	0.2
85.10162	0.6
86.09691	30.6
87.06021	0.1
87.10018	0.3
91.05455	1.0
93.07023	1.3
95.04963	0.3
95.08591	1.7
97.06501	0.2
97.10161	0.5
98.98446	3.0
102.20260	0.1
104.10735	2.2
105.07005	0.8
107.04941	0.3
107.08569	1.0
109.06514	0.3
109.10136	1.7
117.06993	0.5
119.08581	1.0
121.10134	0.5
123.11674	0.3
124.99983	20.0
125.09616	0.5
129.06950	0.2
131.08542	0.4
133.10103	0.6
135.07977	0.3
135.11673	0.3
143.00986	0.4
143.08420	0.2
145.10121	0.3
147.11668	0.4
149.09564	0.2
149.13226	0.2
157.10120	0.2
159.08035	0.5
159.11697	0.4
166.02611	0.3
173.09569	0.2
173.11705	0.2
184.07309	100.0
185.07683	0.8
189.11205	0.2
215.14276	0.1
227.12714	0.4
229.14340	1.4
248.96906	0.1
269.17447	0.5
271.16928	0.2
275.19983	0.8
289.17868	0.5
313.27304	2.8
335.25702	0.7
348.78748	0.2
349.23468	0.6
363.21597	0.5
367.24750	0.5
368.25095	0.2
467.37213	1.2
496.33871	0.2
507.40317	1.5
587.47034	0.9
605.47382	0.5
623.42761	1.1
634.65381	0.2
641.43274	0.3
650.43213	0.3
676.45123	0.2
690.45959	0.2
699.94318	0.2
704.37042	0.2
704.48425	3.0
752.51727	0.5
770.53046	1.9
784.53693	0.4
788.53992	0.8
802.54419	0.4
820.56653	4.2
822.76282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07054	0.2
58.06285	0.2
58.06565	1.0
58.06820	0.1
59.07363	0.9
60.08154	5.8
62.91195	0.1
64.75778	0.1
67.05497	0.6
68.08865	0.1
69.07043	0.3
70.06567	0.1
71.07360	2.8
71.08627	0.1
79.05493	0.2
81.07027	0.6
83.08636	0.1
86.09690	27.9
87.10027	0.3
91.05463	0.3
93.07037	0.2
95.04932	0.1
95.08576	0.3
97.10149	0.1
98.21486	0.2
98.98441	2.3
104.10725	2.1
105.06999	0.4
107.04920	0.1
107.08560	0.2
109.10154	0.3
116.99426	0.1
117.06976	0.1
119.08544	0.1
124.99982	17.8
131.08556	0.1
133.10127	0.2
143.01048	0.3
145.10078	0.1
163.01497	0.1
166.02658	0.2
184.07309	100.0
185.07648	0.8
222.08858	0.8
238.08498	0.1
240.09918	0.1
270.82126	0.1
275.20010	0.3
335.25763	0.2
341.12357	0.2
349.23752	0.2
354.13156	0.2
366.20401	0.1
373.11282	0.3
478.32834	0.2
496.34238	0.2
508.29654	0.1
550.34949	0.4
569.33417	0.2
585.44836	0.3
592.40424	0.1
609.44800	0.7
620.42432	0.1
650.43805	7.2
651.44202	0.3
676.45264	0.1
678.46704	0.5
706.46851	0.1
722.45679	0.3
820.53162	5.1
821.52521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	1.6
57.07043	0.5
57.44846	0.4
58.51466	0.4
59.04955	0.4
60.08127	1.0
60.46285	0.3
65.03903	1.5
67.05494	17.6
68.99760	0.6
69.03424	0.4
69.07056	16.2
70.19332	1.3
71.04961	1.5
79.05480	16.2
79.63743	0.3
81.03407	4.7
81.07043	26.3
83.04969	4.2
83.08606	4.4
85.06506	0.9
86.09694	4.5
91.05463	25.6
93.07028	16.4
95.01311	5.2
95.04442	0.5
95.04951	5.2
95.08591	14.9
97.06513	33.9
97.10137	1.9
98.20864	0.5
102.53663	0.4
103.05425	0.5
105.07014	37.4
106.07323	0.8
107.04934	9.8
107.08575	8.2
109.06454	1.8
109.10155	4.0
111.08022	1.5
113.09614	0.7
115.05399	0.9
117.07002	6.6
119.04890	0.4
119.08560	19.7
121.06451	1.8
121.10140	4.5
123.04402	1.5
123.08036	2.5
123.11655	1.4
124.99979	2.8
125.09571	1.2
129.06960	1.5
131.08542	11.0
133.06482	0.5
133.10109	23.2
135.07974	1.8
135.11670	3.6
137.09550	1.6
137.13087	0.5
139.07462	1.4
141.06915	1.0
143.08530	2.4
144.09409	0.4
145.06421	1.2
145.10103	8.6
147.08040	0.4
147.11655	9.5
149.09599	5.3
149.13239	2.3
151.11102	2.1
155.08496	1.4
157.10077	1.8
159.08020	0.8
159.11650	6.7
161.13223	2.7
163.11147	3.4
165.09068	1.4
165.12769	0.5
169.10100	1.1
171.11658	1.2
173.13258	2.5
175.11063	0.6
175.14859	0.7
177.12738	2.3
179.14290	9.2
183.11636	0.8
184.07324	13.9
187.11150	2.1
187.14694	0.5
197.13252	0.6
201.12715	0.6
215.18118	0.5
219.17421	1.4
229.19431	1.2
239.17953	1.2
247.20505	1.9
255.23077	0.6
257.18933	3.2
259.67484	0.4
275.20016	53.9
276.20447	1.1
279.15738	0.7
293.20868	2.5
349.23682	36.1
350.24191	0.9
367.24594	0.5
445.29904	0.6
473.74103	0.4
527.37048	0.6
623.42938	100.0
624.43152	4.4
641.43939	1.8
679.48602	0.5
802.52991	0.5
820.52423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	4.5
59.04981	1.0
60.08150	5.8
65.03918	1.7
67.05487	24.8
69.03403	2.1
69.07049	6.1
71.07344	2.4
71.62730	1.4
73.13377	0.7
74.09707	0.8
79.05052	1.4
79.05476	18.9
81.03404	1.2
81.07037	21.1
83.04948	1.6
83.08598	11.3
85.02895	1.2
85.06490	1.3
86.09686	31.4
91.05460	18.3
93.07020	19.5
95.04957	2.1
95.08585	13.6
97.06504	1.9
97.10153	22.7
98.98447	3.2
103.05448	1.6
104.10712	2.8
105.06998	8.6
107.04977	1.8
107.08560	15.1
109.06480	2.3
109.10126	5.7
115.05434	2.8
117.06994	14.8
119.08555	22.7
121.06519	1.3
121.10143	6.7
123.08023	1.3
123.11654	1.7
124.99986	18.8
125.09600	19.9
128.06200	0.9
128.47626	0.8
129.07001	1.9
131.08533	6.9
133.06430	1.1
133.10080	4.6
135.08038	4.1
135.11635	3.9
137.09535	1.1
137.13220	0.8
141.06943	1.0
142.07808	0.8
143.08488	2.9
143.10674	0.9
145.06439	9.0
145.10112	4.5
147.07999	2.1
147.11665	2.3
149.09535	1.6
149.13205	3.0
153.09099	1.5
155.08537	2.0
157.10095	2.1
159.08066	4.6
159.11653	2.5
161.09520	1.2
161.13254	1.8
163.14809	1.0
168.47589	0.8
169.10103	1.1
171.10139	0.9
171.11551	1.2
173.09599	1.5
173.13196	2.3
175.71368	0.7
182.39005	0.7
183.11667	1.0
184.07298	100.0
185.09544	1.1
187.14745	1.6
189.11156	13.0
189.12706	1.4
197.13188	1.0
208.21690	0.7
215.14240	3.3
225.16386	1.4
227.12718	29.0
243.17352	1.2
243.21027	3.1
245.13855	1.4
247.68564	0.7
261.22079	7.8
271.16864	20.4
289.17865	7.5
317.24652	1.6
327.19525	0.9
335.25714	26.3
345.20578	7.1
363.21582	10.9
487.33850	2.1
505.35165	17.7
605.41888	18.2
606.42090	1.9
623.42920	35.9
624.42700	2.9
664.44629	1.6
784.53790	1.1
802.55090	1.6
820.54565	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	817.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68564	0.6
57.03428	17.3
57.07057	2.3
59.04994	2.1
61.02911	2.2
61.31430	0.6
65.03934	3.2
67.05493	56.9
68.05811	0.7
68.74537	0.6
69.03416	35.7
69.07063	9.1
69.50674	1.2
69.51073	5.7
71.01339	3.3
71.04980	9.2
73.02903	10.6
76.80259	0.8
79.05478	33.3
80.06247	0.7
80.30946	0.6
80.57225	0.7
81.03403	100.0
81.07043	31.9
83.01304	1.0
83.04967	24.1
83.08603	19.3
85.02891	33.4
85.06524	2.5
87.04436	1.7
89.65533	0.7
91.03912	1.0
91.05465	30.7
93.07029	21.7
95.01328	0.8
95.04953	29.4
95.08590	11.6
97.02876	30.4
97.03507	1.6
97.06522	7.2
97.10141	10.1
98.37738	0.7
99.04441	9.4
99.08100	2.2
101.02378	2.3
101.05985	0.7
103.03925	2.3
103.05449	1.4
105.07016	22.0
107.04932	15.5
107.05604	1.2
107.08575	11.8
109.02864	21.5
109.06476	5.3
109.10142	33.5
111.04424	16.0
111.08061	8.4
113.02339	0.9
113.05993	1.9
115.03895	2.5
115.05466	2.3
117.07003	5.0
119.04933	2.9
119.08557	19.3
121.02879	1.9
121.06490	4.5
121.10119	11.5
123.04399	7.5
123.08044	4.5
123.11705	2.2
125.02372	1.2
125.05954	2.1
125.09597	9.2
127.03891	22.2
127.11230	0.9
128.06265	1.6
129.05473	6.9
129.06976	9.7
131.03391	3.6
131.04900	1.8
131.08569	11.3
133.06514	3.6
133.10086	9.1
135.04410	9.0
135.08022	3.2
135.11674	6.0
136.07523	0.7
137.05981	2.5
137.09593	3.9
139.03864	7.4
139.11172	0.8
141.06947	1.1
142.07813	2.0
143.08551	2.1
143.10641	1.0
145.02855	0.8
145.04909	1.6
145.06445	3.4
145.10060	6.2
147.04385	3.7
147.08040	4.2
147.11667	16.9
147.12769	1.3
149.05972	1.8
149.09595	5.7
151.03885	3.7
151.07497	0.9
153.05440	3.7
153.09048	0.9
153.12718	2.6
155.08537	1.7
155.10666	2.3
157.05049	0.9
157.06508	1.3
157.08746	1.2
157.10114	10.1
159.08154	0.8
159.11697	1.4
161.06001	3.0
161.09595	1.8
161.13278	1.1
163.03923	3.3
163.07536	0.9
163.11174	6.4
165.05496	1.4
165.09167	1.3
165.12732	4.3
167.07010	1.3
167.08464	1.0
169.10295	1.1
171.06517	1.2
171.08046	1.2
171.11702	1.6
173.04453	13.7
173.05830	1.3
173.09665	2.2
173.11717	8.4
173.13118	1.0
175.11134	12.3
177.05492	2.0
177.12817	1.2
181.05016	2.7
181.12247	3.0
183.11679	0.9
187.11147	1.6
189.05470	1.6
189.09131	0.8
189.11197	3.3
189.12772	1.3
191.10667	4.4
193.12209	31.0
199.05960	5.8
199.13286	1.5
201.12724	0.8
201.14828	0.8
203.14433	0.9
205.12167	1.8
209.11664	9.3
211.11354	1.2
211.13245	37.7
217.07004	5.8
217.12386	1.1
219.13890	1.2
223.13292	0.8
227.12672	10.4
229.14307	17.3
235.13364	1.8
247.13261	1.8
249.14969	1.9
255.15984	1.3
259.13297	1.0
265.14270	1.4
267.15857	21.2
267.18481	1.1
268.16360	1.4
271.13300	1.1
273.07709	1.0
273.14865	1.8
277.14328	1.2
281.13980	1.0
283.06009	1.8
283.15469	6.6
285.07657	1.1
285.16919	17.7
287.05493	1.1
289.07071	1.4
289.14230	1.7
299.14963	1.6
301.07108	2.8
301.13947	1.5
301.16766	2.5
307.15567	0.9
309.17007	1.1
313.16766	1.1
319.15527	1.0
325.16562	1.2
337.16446	1.9
353.15857	2.0
355.17618	2.3
373.18573	5.2
375.18283	0.9
393.19049	1.6
401.22934	1.3
403.24857	1.5
409.25983	1.2
411.20166	2.4
421.25763	13.5
422.26297	1.4
427.19696	2.3
427.27121	1.6
429.21213	1.9
439.26874	30.7
440.27405	2.3
445.20517	1.0
447.27457	1.0
457.25891	1.5
459.27408	1.8
463.27127	1.0
465.28555	1.2
475.26904	11.1
476.27609	1.0
477.28552	0.9
493.28024	10.0
494.28595	1.0
495.29559	1.4
511.28928	2.6
517.28442	1.3
529.28131	1.8
547.28845	2.3
565.30341	3.5
583.31018	18.9
584.31415	1.4
601.30017	1.0
619.31012	2.6
621.32336	1.4
637.32007	9.0
655.32495	3.8
799.36945	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	0.8
58.06604	0.5
58.14264	0.2
59.07388	0.2
60.07869	0.4
60.08158	6.3
62.68258	0.2
67.05511	1.2
69.07051	0.7
71.04962	0.2
71.07363	3.4
71.08617	0.5
79.05473	0.4
81.07046	0.9
83.08610	0.4
86.09695	30.9
87.10031	0.6
91.05458	0.7
93.07037	0.4
95.08590	1.0
97.10148	0.5
98.98454	3.1
100.71803	0.2
104.10735	2.9
105.07011	0.9
107.08578	0.3
109.06546	0.2
109.10169	0.3
111.15803	0.2
119.08578	0.6
121.10118	0.4
124.99987	20.7
131.08517	0.3
133.10120	0.4
140.68831	0.2
143.01028	0.4
145.10097	0.4
159.11652	0.3
159.60324	0.2
166.02660	0.4
170.61487	0.2
184.07317	100.0
185.07689	2.3
186.07784	0.7
189.11169	0.3
225.27882	0.3
232.50848	0.3
275.19855	0.5
276.80338	0.3
313.27274	1.4
349.23688	0.6
463.78958	0.2
587.46271	0.6
716.47650	0.9
762.43213	0.3
798.56476	1.5
816.57074	3.2
817.56995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.8
57.07061	1.8
61.02917	2.4
65.03922	4.6
67.05493	40.3
69.03415	16.1
69.07059	9.8
69.47403	9.2
70.52910	1.0
71.01347	1.6
71.04974	6.5
73.02908	2.4
73.06567	0.9
76.96692	0.9
77.03931	1.3
79.05479	61.6
81.03403	76.5
81.07042	44.3
83.01368	1.1
83.04968	21.9
83.08611	17.3
85.02890	17.4
85.06525	3.0
86.09628	0.9
90.03315	0.9
91.05463	52.8
93.07029	50.5
95.04951	33.7
95.08590	21.4
95.09161	1.8
96.08907	1.1
97.02866	16.0
97.06504	5.2
97.10158	5.1
99.04442	5.3
99.08125	1.0
103.05436	1.4
105.04482	1.9
105.07010	37.7
106.07308	1.6
107.04932	11.3
107.08571	19.0
109.02852	9.1
109.06506	9.3
109.10144	6.0
111.04427	5.4
111.08053	8.8
115.05453	2.2
117.06979	10.4
119.04921	1.6
119.08558	29.4
121.06467	5.7
121.10129	9.6
123.04403	2.8
123.08015	5.7
123.11661	2.2
124.07589	1.0
125.09612	2.6
127.03912	10.2
127.07526	1.1
128.06192	3.0
129.05460	2.6
129.06989	21.0
131.08540	13.6
133.06448	5.2
133.10107	17.2
135.04442	1.2
135.08017	2.2
135.11664	4.3
135.12674	1.1
137.05972	1.2
137.09583	2.0
139.03847	1.8
139.07549	1.1
142.07758	3.7
143.08536	9.6
145.04889	1.9
145.06439	5.4
145.10100	11.4
147.04416	3.2
147.08037	4.6
147.11658	34.6
149.09587	5.6
149.13295	1.4
151.11125	1.5
155.08495	1.7
157.06396	2.1
157.10095	12.1
159.08006	1.7
159.11740	2.7
161.05978	1.3
161.09590	3.0
161.13197	7.2
163.11185	4.5
165.09132	1.7
165.12743	3.0
167.08517	1.9
169.10065	2.7
171.08009	1.8
171.11670	15.8
173.04472	8.1
173.13205	1.1
175.11142	11.2
181.10109	1.2
181.12091	1.8
183.11681	1.2
184.07326	1.3
189.11198	1.7
189.12691	7.9
191.10660	1.7
193.12207	30.1
207.13762	16.7
211.13251	30.1
225.14908	1.9
227.12627	2.2
227.14543	1.5
231.13852	1.5
241.15939	1.5
249.14780	2.5
259.17053	1.1
267.15881	35.4
269.15298	2.4
279.15698	1.0
281.17419	48.8
285.16919	17.1
287.16351	3.2
299.05463	2.2
305.17300	1.2
333.16843	1.3
337.16870	1.3
343.19040	1.1
355.17627	2.2
361.20032	2.4
407.20242	1.6
411.19958	4.4
425.21448	2.2
429.21246	11.7
455.28290	1.3
473.28906	100.0
474.29422	4.6
487.30441	1.6
491.29895	23.2
507.30328	1.2
515.29718	2.5
525.32031	2.1
553.31555	3.2
571.32361	5.0
589.33441	1.2
599.32013	2.2
617.33185	6.7
635.34113	38.3
636.33948	2.2
653.33862	1.3
815.41699	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	17.4
59.04977	2.2
60.02390	1.4
61.02901	4.4
65.03921	6.5
67.05492	62.9
69.03416	23.4
69.07056	16.3
70.57800	5.3
70.82365	1.8
71.04980	10.6
73.02914	1.6
73.06543	1.7
79.05477	87.9
81.03403	100.0
81.07042	64.9
82.07353	1.6
83.04970	35.0
83.08605	26.8
85.02895	24.1
85.06528	4.4
86.09669	2.4
91.03943	2.5
91.05463	79.0
92.05817	1.8
93.07027	80.4
94.07346	2.2
95.04356	2.4
95.04951	42.7
95.08588	33.1
97.02870	20.5
97.06518	12.0
97.10172	7.8
99.04440	5.9
99.08090	2.4
100.07624	1.7
101.02366	1.6
103.05486	2.2
105.04513	2.9
105.07011	58.7
106.07272	1.7
107.04930	17.4
107.08584	25.5
109.02861	10.3
109.06482	11.6
109.10129	10.6
111.04424	10.0
111.08051	10.5
113.06003	2.5
115.05424	6.2
117.06989	21.0
119.04807	1.5
119.08557	39.4
121.06483	7.6
121.10136	12.4
123.04396	5.9
123.08037	8.4
125.02279	2.1
125.05964	2.4
127.03867	13.7
128.06169	5.5
129.05452	7.0
129.06978	32.1
131.04889	3.0
131.08553	21.0
133.06494	9.3
133.10097	20.6
135.08022	3.9
135.11647	5.1
137.05972	2.4
137.09595	2.2
139.03854	3.9
141.06927	4.3
142.07787	4.9
143.08514	13.2
145.04916	2.2
145.06448	4.6
145.10097	17.3
145.87395	1.9
147.04352	4.1
147.08041	7.8
147.11662	45.5
149.09589	6.7
155.08516	4.1
156.09204	1.8
157.06432	3.8
157.10092	19.0
157.38664	1.8
159.08089	3.9
159.11644	4.7
161.09578	6.0
161.13168	11.8
163.03835	2.4
163.11157	4.4
165.08981	2.7
165.12709	3.6
167.08609	3.1
169.10139	1.9
171.08009	3.5
171.11661	29.4
173.04402	9.0
173.05774	3.1
173.09541	3.4
173.13225	3.1
175.11118	13.6
179.14188	2.3
181.10059	2.2
181.12259	3.2
184.07304	3.9
189.12654	9.2
191.10670	2.9
193.10390	2.2
193.12201	37.8
207.13741	29.2
211.13249	41.7
213.12630	1.9
223.14908	2.1
225.14790	2.4
227.12674	3.3
229.14188	2.4
231.13867	2.3
235.91745	1.5
241.15819	5.0
245.15344	2.5
249.14754	2.5
259.16791	2.9
263.16354	1.9
267.15829	43.5
268.16525	2.0
269.15277	6.5
281.17426	87.2
282.17709	4.2
283.15518	2.0
285.16882	23.1
287.05402	3.3
287.16302	7.9
299.05405	4.3
305.17508	3.7
315.16077	2.0
333.16986	2.2
351.17911	4.9
355.17566	4.0
361.20224	2.6
379.21277	1.7
381.24026	2.2
393.18677	1.9
407.20685	1.9
409.27692	1.9
411.20215	3.2
425.21460	8.4
429.21265	12.7
473.28940	97.0
474.29169	6.4
487.30557	2.4
491.29883	52.7
492.30191	2.6
504.55582	1.9
505.30603	1.8
515.30402	2.3
553.31281	7.1
571.32825	7.7
581.30762	2.5
589.33307	3.4
599.31799	3.1
617.32739	7.3
635.33929	52.4
636.34357	3.3
636.43964	2.1
653.34424	2.3
661.36566	1.7
815.42938	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	814.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.2
57.07073	0.2
58.06621	0.7
60.08151	6.0
67.05497	0.9
69.07050	0.7
70.06554	0.2
71.07362	3.7
76.20303	0.1
79.05489	0.6
81.07042	1.3
83.08619	0.3
85.06573	0.2
86.09687	30.1
87.09554	0.2
87.09995	0.8
91.05469	0.5
92.30637	0.1
93.07027	0.7
95.08586	0.6
97.10134	0.2
98.98447	2.7
104.10722	2.9
105.07024	0.4
107.08582	0.7
109.10138	0.4
117.07092	0.2
119.08579	0.3
121.10153	0.4
124.99976	20.4
126.00327	0.2
131.08511	0.2
133.10107	0.3
135.11671	0.4
143.01035	0.5
145.10123	0.2
159.11595	0.2
166.02644	0.2
184.07301	100.0
185.07652	2.1
186.07729	0.5
210.97714	0.2
255.22980	0.2
269.17419	0.4
325.27298	0.6
349.23563	0.2
356.46585	0.2
367.68741	0.2
380.70782	0.1
420.35767	0.2
505.38455	0.3
519.40344	1.1
599.46179	0.2
642.43573	0.2
726.46008	0.4
780.55054	0.7
796.54224	0.6
814.55615	4.7
815.55328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06631	0.4
59.07392	0.2
60.08155	6.0
67.05492	0.3
69.34893	1.0
71.07360	3.2
79.05476	0.4
81.07045	0.3
86.09692	28.4
87.10007	0.1
91.05470	0.2
93.07022	0.4
95.04950	0.1
95.08586	0.3
98.98444	2.6
104.10729	2.3
105.07015	0.3
107.08568	0.2
109.10172	0.1
119.08546	0.1
121.10132	0.1
121.27102	0.1
124.99986	19.2
131.08539	0.1
133.10107	0.1
135.11668	0.1
143.01025	0.3
166.02539	0.3
184.07310	100.0
185.07697	0.6
187.19078	0.1
193.67921	0.1
218.31429	0.1
237.80116	0.1
283.06110	0.2
350.90244	0.1
486.75128	0.1
518.32227	0.1
703.00708	0.1
776.52100	9.6
777.52722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03401	0.5
57.07045	0.4
59.04979	1.0
67.05488	0.8
69.03414	1.3
69.06706	0.4
69.07062	1.7
71.04984	0.8
71.61447	0.6
79.05478	0.7
81.03396	0.4
81.07050	2.7
83.04468	0.7
83.04961	9.4
83.08137	0.6
83.08603	9.4
85.02895	2.0
85.06521	0.9
91.05449	0.7
93.07023	2.0
95.04953	2.6
95.08603	2.0
97.02863	0.6
97.06497	2.0
97.10145	1.5
99.04425	1.1
99.08094	0.4
101.53680	0.3
102.58548	0.4
105.07002	1.3
107.08578	4.7
109.02835	0.4
109.06496	1.5
109.10127	5.8
111.08047	2.1
116.87947	0.3
119.08543	0.9
121.10128	4.0
123.04394	0.6
123.11684	2.3
125.09597	2.4
127.03840	0.5
131.08554	0.7
133.10109	4.5
135.08073	0.7
135.11659	0.5
137.05887	0.3
139.03816	0.5
139.11159	3.8
145.04906	0.4
147.04364	1.1
147.11655	0.6
149.13246	2.2
151.11162	17.6
153.09079	1.3
157.12236	1.3
163.03876	0.7
163.14818	1.7
165.12535	0.3
167.14285	20.8
168.14612	0.6
168.43542	0.4
173.13268	2.4
177.05391	0.5
191.14264	3.4
209.15332	100.0
210.15643	1.8
227.16342	2.4
234.98900	0.5
275.04593	0.4
371.20734	0.7
426.19736	0.7
556.55298	0.4
651.45947	0.4
753.40588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
57.07085	0.5
59.04976	1.1
67.05490	1.3
69.03399	1.2
69.07047	1.7
70.52104	0.3
71.04978	1.1
71.62198	0.3
71.62569	0.3
79.05470	0.5
81.07042	2.5
83.04964	8.0
83.08601	11.3
85.02892	1.7
85.06530	0.4
88.81830	0.2
91.05438	0.7
93.07019	2.0
95.04935	2.7
95.08593	2.3
97.02856	0.3
97.06496	1.9
97.10159	1.8
99.04413	0.7
99.08068	0.6
105.03411	0.2
105.07005	1.5
107.08574	5.5
107.21573	0.3
109.06474	1.7
109.09442	0.5
109.10136	5.4
111.04456	0.4
111.08054	1.8
111.11679	0.7
113.09594	0.6
119.08555	0.7
121.09299	0.4
121.10123	4.5
123.04429	0.4
123.08013	0.5
123.11694	2.6
125.09605	2.4
127.03830	0.5
131.08539	0.8
133.10106	4.2
135.08020	0.6
135.11641	0.8
137.09576	0.3
139.11157	3.8
145.10139	0.5
147.04372	0.4
147.11646	1.1
149.13226	2.6
151.11156	16.0
153.09088	1.3
153.10202	0.3
157.12224	1.4
158.10835	0.4
163.03897	0.6
163.14816	1.2
165.12712	0.3
167.14284	22.0
168.14552	0.3
171.10220	0.2
173.13246	2.1
177.05408	0.4
191.14265	3.4
209.15323	100.0
210.15620	1.5
217.72261	0.3
227.09073	0.3
227.14415	0.3
227.16388	2.8
249.71664	0.2
371.20529	1.0
426.20050	0.6
426.70258	0.5
459.27643	0.3
472.32813	0.3
686.74695	0.3
772.43384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.5
57.07008	0.3
58.06572	0.4
59.04957	0.9
59.07350	0.4
60.08148	2.6
61.02916	4.5
64.84573	0.3
65.03907	0.5
67.05491	6.6
67.05828	0.3
69.03415	3.7
69.07062	3.6
71.01321	0.7
71.04977	2.2
71.07322	1.4
71.62952	0.4
73.02899	3.7
73.06560	0.4
74.09688	0.3
75.16795	0.3
79.05475	6.3
81.02975	0.5
81.03407	5.7
81.07042	7.1
83.04948	2.1
83.08617	1.7
85.02422	0.4
85.02888	5.0
85.06506	0.7
86.09691	15.7
87.04430	0.9
87.10010	2.5
91.03936	2.5
91.05464	7.3
92.52193	0.3
93.06471	0.5
93.07021	6.6
95.04425	0.4
95.04947	3.4
95.08600	3.1
97.02370	0.4
97.02875	4.4
97.06500	1.7
97.10117	0.7
98.98411	1.5
99.04381	1.2
99.08022	0.3
101.02345	1.8
103.03938	0.4
103.05379	0.4
104.10693	1.5
105.04516	0.4
105.07020	5.1
107.04895	1.3
107.08569	4.0
109.02840	0.8
109.06490	1.1
109.10129	1.7
111.04400	0.4
111.08035	0.8
115.03896	0.5
115.05399	0.6
117.06966	1.3
119.08551	3.4
120.08868	0.4
121.06472	0.7
121.10107	2.3
121.12971	0.3
123.04429	0.4
123.08051	0.5
123.11651	0.5
124.99982	9.6
125.09615	0.4
126.00272	0.6
127.03906	1.7
128.06137	0.4
129.05447	0.4
129.06932	1.5
131.08521	2.7
133.10121	3.1
135.08005	0.6
135.11633	1.4
137.05945	0.4
139.03851	0.6
143.08510	0.4
145.06456	0.6
145.10080	1.4
147.07967	0.5
147.11652	2.8
149.09607	2.7
155.08536	0.4
157.10132	1.8
159.11769	0.6
161.13220	0.6
163.11238	0.5
166.02492	0.4
171.11650	0.5
175.11147	0.9
177.12730	0.4
184.07304	53.2
185.04192	0.8
185.07668	7.2
189.12805	0.4
193.12170	1.6
203.05235	0.4
207.13783	0.8
211.13295	0.5
225.14801	0.9
243.08360	4.4
263.99243	0.4
267.15894	1.1
275.91254	0.3
280.21277	0.3
281.17511	1.6
283.06317	0.8
283.15125	3.6
301.08817	0.4
333.20413	2.8
339.17703	0.8
389.23080	0.9
439.19424	1.1
453.20883	1.1
469.20572	1.2
485.19394	0.5
487.30682	2.5
501.22989	17.2
502.23486	0.6
551.28253	8.5
552.28857	0.6
561.26587	0.4
567.33447	1.0
573.25427	0.5
631.35144	0.7
641.31494	0.6
649.39355	0.5
707.43549	1.2
713.37292	0.6
721.37598	1.5
761.43713	1.9
765.40363	0.5
811.44312	100.0
812.44598	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	811.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.9
59.04993	1.2
60.08140	1.2
61.02922	6.2
65.03924	2.5
67.05496	33.8
69.03421	12.8
69.07055	9.4
70.02725	4.7
71.01357	1.4
71.04976	4.3
73.02917	4.4
74.16169	0.9
79.05482	51.2
81.03408	28.3
81.06565	1.8
81.07048	37.7
83.04974	12.6
83.08606	4.6
85.02886	11.8
85.06543	2.4
86.09692	3.5
87.04459	1.3
91.03469	0.9
91.03967	4.2
91.05468	44.6
93.07030	48.1
95.04958	17.7
95.08589	21.2
97.02875	13.9
97.06518	5.7
97.10165	2.8
99.04435	4.4
101.02383	3.1
103.03900	1.2
103.05474	1.8
105.04545	1.5
105.07014	33.5
106.19468	0.8
107.04941	9.4
107.08589	15.2
109.02824	4.6
109.06487	5.8
109.10159	3.7
111.04393	1.2
111.08086	2.2
115.05464	2.8
117.06998	12.9
119.08569	24.7
121.06461	4.7
121.10143	5.9
123.04392	2.0
123.08089	6.3
125.00011	3.4
125.09608	1.6
127.03915	6.8
127.07550	1.1
128.06197	5.0
129.05524	2.2
129.06993	21.1
131.04929	1.6
131.08537	11.0
133.06442	4.4
133.10123	8.9
135.04416	1.0
135.08099	2.3
135.11670	2.7
137.06035	1.9
137.09615	1.3
137.64981	1.1
141.06998	3.6
142.07759	1.5
142.44200	0.8
143.08528	11.6
145.04947	1.6
145.06450	4.3
145.10092	9.6
147.08063	3.7
147.11667	23.8
147.12764	1.6
149.09673	2.6
149.13239	1.2
155.08585	3.2
157.06465	2.4
157.10162	4.1
159.08093	3.1
159.11691	3.6
161.05962	1.4
161.09634	3.6
161.13232	7.9
163.11189	3.1
167.08556	2.0
169.10196	2.8
171.08000	4.7
171.11671	19.9
173.04446	9.2
173.05862	1.3
173.09518	2.2
173.13306	1.6
177.12843	1.1
179.08588	1.0
179.14288	1.3
181.10165	3.1
183.11746	1.1
184.07309	16.0
185.04160	0.9
185.07715	1.6
185.09628	2.2
185.13301	2.1
187.11208	1.9
189.12727	9.5
193.10181	1.2
193.12254	1.5
195.07965	1.0
195.11739	1.5
197.13300	1.6
199.11218	1.2
207.13762	20.1
209.13278	1.2
223.14847	2.3
225.14876	4.1
233.15706	1.2
241.15887	2.9
243.08473	4.0
245.15454	1.1
251.14314	2.7
259.16959	1.6
263.16425	1.0
269.15314	6.6
275.16785	0.8
279.16058	2.2
281.17438	43.9
283.15280	3.6
287.16440	8.2
297.14951	1.3
305.17560	1.4
309.17102	1.4
315.16116	2.6
325.59488	1.0
333.17007	1.9
333.20599	2.8
339.18182	1.0
343.18961	1.7
351.18115	1.9
361.20297	3.1
407.20718	2.7
425.21652	7.3
439.19543	2.5
449.59702	1.2
453.21124	1.2
469.20718	1.2
469.29883	2.0
487.30472	57.5
488.31079	1.6
501.23181	14.5
501.32095	4.6
510.43127	1.0
513.32074	1.1
529.31683	2.2
539.33563	3.2
549.32220	2.5
551.28217	10.8
567.33099	12.2
583.54626	1.0
585.34369	3.2
595.32739	1.6
613.33423	4.2
628.84070	0.9
631.34473	10.2
649.35559	1.9
716.79523	1.1
721.37433	2.0
811.44330	100.0
812.43933	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	810.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06291	0.1
58.06618	0.4
59.07392	0.2
60.08152	5.8
67.05489	0.2
69.07024	0.1
69.71851	0.5
70.06577	0.2
71.07362	3.2
79.05457	0.2
79.16170	0.1
80.97395	0.1
81.07030	0.3
86.09688	30.5
87.10032	0.3
91.05464	0.2
93.07027	0.2
95.08628	0.1
98.20762	0.1
98.98447	3.2
104.10723	3.1
104.11291	0.1
105.04527	0.1
105.07022	0.2
107.08572	0.1
109.10175	0.1
115.45197	0.1
116.99532	0.1
119.08485	0.1
124.99979	20.3
125.09602	0.1
126.00289	0.1
131.08528	0.1
133.10091	0.1
143.01001	0.4
145.10126	0.1
155.87857	0.1
157.10043	0.1
158.83768	0.1
166.02629	0.2
184.07303	100.0
185.07697	1.0
186.07782	0.1
214.89417	0.1
288.97495	0.1
458.90125	0.1
595.43488	0.2
672.42084	0.2
692.47290	0.1
712.45251	0.6
752.47620	0.1
792.51416	0.7
793.52515	0.1
810.52557	3.5
811.53326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06618	0.5
59.07375	0.2
60.08147	6.1
62.81704	0.1
67.05486	0.2
69.07051	0.1
70.06570	0.1
71.07354	3.1
71.08588	0.1
75.32346	0.1
75.34248	0.1
79.05487	0.3
80.97416	0.1
81.07041	0.3
83.04968	0.1
83.08614	0.1
86.09683	32.5
87.10014	0.4
91.05463	0.3
93.07016	0.2
95.04914	0.1
95.08597	0.2
98.21476	0.3
98.98438	3.2
99.08092	0.1
99.51441	0.1
104.10714	2.8
105.07005	0.2
107.08576	0.1
116.99448	0.1
118.49831	0.1
119.08508	0.2
121.06565	0.1
121.82014	0.1
124.99969	20.7
131.08559	0.1
133.10065	0.2
143.01035	0.4
166.02637	0.2
184.07291	100.0
185.07657	1.0
223.89966	0.1
295.53677	0.1
297.60046	0.1
321.41974	0.1
348.65262	0.1
382.48541	0.1
707.36823	0.3
792.51508	10.0
793.51703	1.0
810.51208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06314	0.1
58.06622	0.4
59.07143	0.1
59.07395	0.1
60.08153	6.1
67.05493	0.2
69.07057	0.1
69.33396	0.3
69.33823	0.2
70.06575	0.1
71.07362	3.2
79.05481	0.1
81.07040	0.2
86.09690	30.1
87.10019	0.4
91.05448	0.3
93.07039	0.1
95.08598	0.1
97.02884	0.1
98.98447	2.9
104.10727	2.1
105.07011	0.2
107.08574	0.1
109.10103	0.1
116.99579	0.1
117.07009	0.1
119.08575	0.1
121.10172	0.1
124.99982	20.4
125.09595	0.1
126.00352	0.1
131.08525	0.1
133.10075	0.1
143.01038	0.3
145.10098	0.1
155.08627	0.1
157.10123	0.1
166.02623	0.2
184.07306	100.0
185.07642	1.2
461.54471	0.1
470.36383	0.1
498.29636	0.1
516.30365	0.2
701.28888	0.1
769.45105	0.1
774.50500	7.0
775.50702	0.6
792.49518	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	810.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06617	0.6
59.07138	0.1
59.07402	0.2
60.08152	6.2
65.11651	0.1
67.05496	0.3
69.07058	0.1
70.05840	0.3
70.06586	0.1
71.07360	3.3
71.08620	0.1
74.64716	0.1
79.05479	0.2
80.97438	0.1
81.03391	0.1
81.07049	0.3
83.08608	0.1
86.09689	31.8
87.10027	0.3
91.05484	0.1
93.07032	0.2
95.08587	0.2
97.10194	0.1
98.20864	0.1
98.98445	2.9
104.10030	0.1
104.10726	2.1
104.11398	0.1
105.07019	0.2
107.08585	0.2
109.06482	0.1
109.10136	0.1
114.78847	0.1
116.99453	0.1
117.06986	0.1
124.99981	21.1
126.00382	0.1
127.39357	0.1
131.08554	0.1
133.10092	0.1
143.01009	0.4
163.01497	0.1
166.02663	0.3
184.07306	100.0
185.07660	1.3
186.07788	0.1
196.26646	0.1
212.21468	0.1
316.80231	0.1
518.31805	0.1
604.39624	0.1
691.18860	0.1
724.45282	1.0
725.45911	0.1
764.48041	0.3
776.38776	0.0
776.51868	1.0
777.52197	0.1
792.51019	0.2
810.52411	0.7
811.51880	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	810.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.7
63.02344	0.9
65.03937	1.9
65.67053	0.6
67.05490	2.6
68.99775	1.1
69.03436	1.1
69.07058	1.3
70.06552	0.9
79.05489	4.8
80.04996	1.7
81.03406	4.1
81.05786	1.1
81.07049	3.0
82.06560	1.9
83.04964	1.5
83.08593	0.8
85.02894	2.2
86.09699	1.4
89.03898	1.1
91.05468	5.3
92.04964	1.2
93.05769	1.5
93.07031	8.7
94.06564	10.3
95.04937	3.6
95.07343	6.6
95.08591	2.2
96.08120	15.1
97.02888	1.4
97.06518	2.5
97.10133	0.8
102.08992	0.6
103.05444	1.6
105.07013	3.0
106.06536	2.2
107.04961	1.3
107.07337	1.6
107.08582	2.1
108.04459	3.2
108.07401	1.5
108.08109	21.6
108.08856	1.2
109.02861	0.8
109.08941	0.9
109.10122	1.5
110.09670	28.7
116.04971	3.1
117.06985	0.8
118.06535	3.1
119.04898	1.9
119.08569	2.1
120.04469	11.6
120.08093	22.2
120.08920	1.6
121.02859	0.8
121.06476	2.5
121.10104	1.3
122.06002	5.8
122.09651	4.6
123.04419	14.6
124.07596	6.8
125.09591	0.8
130.06541	1.5
132.04443	1.4
132.08086	1.1
133.10127	1.2
134.06001	2.5
134.09581	0.9
135.04416	1.1
136.07556	11.7
137.05960	2.2
137.09622	1.0
138.05492	1.5
138.09125	59.8
139.03888	1.4
139.09471	0.9
143.04991	0.8
144.04434	5.8
144.08072	1.1
145.06392	0.8
146.05989	16.1
147.04362	5.1
148.07529	6.5
150.05519	1.0
150.09158	2.5
151.03888	5.6
152.07043	2.5
153.05460	1.5
156.07970	0.8
157.10147	1.1
158.06027	1.0
159.08028	0.8
160.03902	6.6
160.07576	2.7
161.05986	2.2
162.05531	3.8
162.09166	0.9
163.03905	2.8
164.07034	2.3
165.05461	1.3
166.08624	21.7
167.07065	2.6
170.05943	1.4
172.03914	14.8
172.07617	1.5
173.05927	1.2
174.05481	5.4
174.09210	1.1
175.11107	1.4
176.06995	3.4
177.05438	1.1
178.04974	1.4
178.08595	5.7
179.07014	0.8
181.04932	1.5
182.09624	0.8
184.07390	3.0
184.09991	0.7
186.05431	1.5
186.09126	0.8
188.07068	2.7
189.05446	2.6
190.04967	29.7
192.06519	1.5
192.10196	1.9
192.99861	0.7
193.12230	1.8
196.07512	1.0
197.10788	1.1
198.05418	1.7
198.11504	1.1
199.12241	0.8
200.07027	1.6
202.04916	0.8
202.08525	0.9
204.06538	9.8
206.08057	1.7
207.06616	1.3
209.10760	1.0
210.09218	1.2
211.13390	1.6
212.07101	1.9
212.09273	1.2
213.10141	1.0
214.08647	2.4
216.06572	1.8
218.08054	1.8
220.09659	0.9
221.10741	0.9
222.07513	4.8
223.08627	1.3
223.12097	1.0
224.07205	1.5
225.05339	0.9
225.10262	2.2
226.10927	1.1
227.11720	4.7
230.08159	2.0
232.06084	2.1
232.09657	1.1
233.10703	1.1
235.08643	2.0
235.12329	1.2
236.09462	2.7
237.10226	6.8
238.08736	1.0
238.10953	1.9
239.11797	1.8
240.06590	3.2
241.04732	0.8
242.08099	8.5
244.09679	1.0
245.12869	3.1
247.08429	1.3
248.09410	2.2
249.10202	11.1
250.10977	3.7
251.08066	1.6
251.11766	9.5
252.06451	0.8
252.08821	0.9
252.12451	1.1
253.09682	2.4
253.13435	1.8
254.08083	1.7
255.06709	1.1
255.11340	3.2
256.06094	1.2
256.09656	1.3
258.07626	2.6
259.45270	0.8
261.10159	6.1
262.10974	3.2
263.08084	1.3
263.11801	8.7
264.08966	2.2
264.12515	1.7
265.09766	6.2
265.13297	1.0
266.08102	2.7
266.10519	2.2
267.11322	3.3
267.15970	2.2
268.06143	1.5
268.09607	1.4
269.12671	0.9
270.07660	1.8
271.05948	0.8
271.10825	1.4
273.12274	4.6
274.07648	0.7
274.10846	2.0
275.08203	2.6
275.11856	3.8
276.09048	1.5
276.12357	1.3
277.09723	15.5
277.12952	1.7
278.10489	3.0
279.11215	14.6
280.12045	1.6
281.09491	1.1
281.12891	2.4
283.05960	1.9
283.10855	1.8
284.09058	7.1
285.17004	1.2
286.07150	5.6
286.10895	2.5
287.11780	2.5
288.08966	1.3
288.12442	1.6
289.09744	7.5
289.13260	2.0
290.10434	3.1
291.11304	9.8
292.11957	2.0
293.09448	1.4
293.12912	2.9
294.07516	0.9
295.10715	4.0
296.11771	1.3
297.12317	8.3
298.07083	2.0
300.08728	5.0
301.09589	1.2
301.13181	1.7
302.10364	4.5
302.13370	1.0
303.08231	1.0
303.11316	5.8
304.08533	1.2
304.11987	1.7
305.09213	6.5
305.12863	3.3
307.10840	3.9
308.11896	0.8
309.12238	5.1
311.14075	1.5
312.12485	1.0
313.13174	1.1
314.10220	1.8
315.11313	2.7
316.11978	1.1
317.09183	5.0
317.12570	1.0
318.09943	1.5
319.10812	3.7
321.12341	2.8
323.10297	9.5
323.13898	1.3
325.11899	5.7
328.08264	0.8
328.12061	1.4
329.09253	1.0
329.12888	2.9
330.09991	1.1
331.10760	3.7
331.14447	1.1
332.11380	1.0
333.08804	1.0
333.12384	2.5
335.10217	7.7
335.13730	1.0
336.11124	1.7
337.11804	3.9
340.12143	1.1
341.12756	1.2
342.16293	0.9
343.10330	3.7
345.08746	1.7
345.12494	1.5
347.10199	1.6
347.13980	1.7
349.11887	2.8
350.12103	0.9
351.13348	2.0
353.12653	1.1
355.13116	2.1
355.24545	0.8
357.12354	4.5
358.13077	0.9
359.10254	2.0
359.13919	3.1
361.11816	2.9
367.11719	1.1
368.12076	1.0
370.09372	1.0
371.10037	1.1
371.14099	1.7
372.11093	1.6
373.11792	3.0
375.13351	2.9
376.12103	1.3
377.11166	1.4
379.12955	1.4
381.12009	3.9
382.09198	0.9
383.14377	1.0
384.10855	1.2
385.11826	7.5
386.12302	1.4
387.13565	4.8
397.11926	1.3
399.13431	8.9
400.10352	1.3
401.10925	1.3
401.15558	0.9
402.18204	1.1
403.12903	4.3
409.11945	1.9
411.13617	2.1
413.11240	10.8
414.12021	1.5
415.13028	2.3
417.14667	1.7
419.12402	1.3
420.10995	1.3
421.13589	0.9
425.10931	1.1
427.12906	7.6
429.14471	6.8
431.11859	4.0
433.13965	1.3
436.14020	2.0
437.11401	1.3
443.12515	1.3
445.13901	23.5
454.14984	3.1
455.12341	12.4
457.14047	2.1
459.27618	1.2
460.18478	2.0
461.12985	3.3
473.13382	18.1
474.13779	0.9
487.14725	1.2
488.18140	4.3
491.14694	1.0
493.16153	1.2
505.16031	14.1
514.11401	1.3
520.20544	1.7
529.22144	1.9
538.19623	1.6
547.14917	1.2
554.22546	3.0
570.22278	2.3
579.17725	1.5
580.20721	3.1
597.18555	1.3
598.21808	79.8
599.21899	2.9
607.16980	2.3
608.20148	4.0
613.18341	3.1
614.22748	1.0
616.22894	3.9
625.18152	3.1
626.21252	28.1
630.24377	100.0
631.24530	2.8
638.21466	2.4
644.22083	1.6
645.21332	0.8
657.20795	1.3
658.23950	5.0
716.25507	1.3
734.27173	5.8
760.24841	31.2
761.24756	1.4
778.25952	87.6
779.26349	3.2
792.26788	1.7
792.40826	1.0
810.28491	9.7
810.41858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06618	0.4
59.07365	0.1
60.08156	6.3
61.49095	0.1
67.05496	0.3
69.07073	0.2
70.06565	0.2
71.07363	3.3
78.79974	0.1
79.05478	0.2
81.03365	0.1
81.07050	0.4
83.08591	0.1
86.09695	30.6
87.10040	0.2
91.05478	0.3
93.07021	0.4
95.04971	0.1
95.08584	0.3
97.06498	0.1
98.98454	3.0
104.10732	2.9
105.07025	0.2
107.08601	0.1
108.07584	0.1
109.10128	0.1
116.99555	0.1
117.07005	0.1
119.08580	0.2
124.99989	20.2
131.08522	0.1
133.10124	0.1
140.60243	0.1
143.01035	0.3
145.10127	0.1
147.04312	0.1
148.74361	0.1
150.17511	0.1
166.02690	0.2
184.07318	100.0
185.07652	0.6
204.10454	0.1
495.77109	0.1
516.30969	0.1
532.30341	0.1
620.03699	0.1
782.54559	0.1
790.50024	9.6
791.50482	0.5
808.50641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	0.2
57.69840	0.1
58.06614	0.5
59.07379	0.1
60.08154	5.9
67.01565	0.1
67.05485	0.3
69.07053	0.2
69.28528	0.2
69.28925	1.3
71.07358	3.3
79.05487	0.2
81.07012	0.3
86.09692	29.6
87.10022	0.3
89.06024	0.1
93.07025	0.4
95.04967	0.2
95.08588	0.5
98.98450	2.5
104.10730	2.3
105.06978	0.3
121.10118	0.2
124.99982	19.2
125.09544	0.1
139.53258	0.1
143.01051	0.5
166.02631	0.2
184.07309	100.0
185.07721	0.8
319.19461	0.1
400.64087	0.1
480.76645	0.1
650.42926	0.3
790.50433	0.3
808.50983	4.4
809.51385	0.3
839.39264	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	808.555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	16.6
57.07059	6.1
61.02912	3.9
62.85929	1.6
65.03935	5.9
67.05495	100.0
69.03400	2.7
69.07058	34.6
69.38889	16.0
71.04982	4.8
79.05479	84.4
81.03407	2.0
81.07043	97.4
82.07377	2.2
83.04967	5.1
83.08606	13.3
84.77571	1.6
85.02904	4.2
85.06521	3.7
91.04884	1.9
91.05467	85.5
93.07029	95.9
94.96539	1.5
94.97374	1.6
95.04955	11.6
95.08591	73.3
97.02846	3.3
97.06531	8.0
97.10157	6.2
98.20721	3.3
98.43037	1.7
99.08075	3.4
100.33752	1.6
103.05432	2.9
103.13641	1.9
105.07014	91.6
107.04974	2.6
107.08575	51.5
108.46044	1.5
109.06519	4.5
109.10139	27.5
111.08058	2.8
113.25954	1.4
115.05444	2.4
117.07004	28.3
119.08557	68.0
121.10126	41.0
123.08012	3.1
123.11681	10.1
125.09597	2.4
129.05449	2.0
129.06989	17.3
130.07773	2.3
131.07570	2.2
131.08549	36.2
133.06505	1.8
133.10114	58.1
135.08063	3.7
135.11668	35.0
137.09593	2.4
141.07025	1.9
142.07802	2.1
143.08551	16.1
145.10104	31.5
147.11667	47.8
149.09625	2.8
149.13234	17.3
151.11189	2.0
155.08569	2.5
157.10127	14.2
159.11668	30.1
161.13232	36.7
163.11041	2.1
163.14830	6.8
169.10159	5.8
171.11652	17.8
173.13243	22.4
175.11185	1.8
175.14809	13.2
177.12790	2.0
183.11658	3.9
184.07372	3.6
185.13225	14.3
187.14827	7.4
189.16322	2.7
195.11534	2.5
197.13210	3.3
199.14755	8.0
201.16309	4.8
211.14792	3.4
213.16336	1.9
215.17982	2.7
217.15768	2.3
217.19429	2.3
217.40082	1.7
231.21045	6.0
239.17891	3.2
241.19513	29.2
243.21049	4.4
257.18857	8.4
259.20532	78.1
260.20807	2.0
261.22055	10.9
271.20480	2.3
277.21667	1.7
297.22275	2.2
315.23169	5.3
317.24609	2.3
331.22806	2.4
333.24194	58.3
334.24469	2.6
335.25732	83.9
336.25980	3.4
337.27386	7.4
353.28369	1.8
501.35190	2.7
519.41943	7.2
537.42725	3.2
593.45532	13.8
611.46613	71.1
612.46466	3.1
623.46436	2.4
701.47095	2.5
719.48456	2.1
737.48981	2.1
794.84955	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	19.2
57.07056	3.6
59.04983	2.8
61.02905	4.0
65.03927	3.3
67.05494	100.0
68.05834	1.5
69.03422	12.6
69.07056	38.6
70.24998	6.8
71.04980	10.6
73.02905	4.1
79.05479	58.1
80.05835	1.4
81.03405	49.4
81.07043	91.9
82.04202	2.1
82.07356	1.8
83.01326	1.9
83.04520	2.5
83.04965	21.0
83.08604	35.4
85.02891	20.9
85.06516	7.3
86.09686	6.6
91.04886	3.2
91.05467	65.4
92.05788	1.4
93.07029	57.9
95.04952	36.5
95.08589	43.8
97.02876	8.3
97.06513	23.1
97.10162	14.8
98.07282	2.9
98.21392	1.6
99.04432	2.3
99.08080	5.8
103.05475	2.7
105.03380	1.5
105.07011	48.8
107.04943	16.7
107.08575	40.4
109.02859	3.9
109.06503	17.1
109.10140	47.8
109.10905	2.0
111.04396	3.2
111.08054	16.2
113.05994	3.4
115.05437	2.3
116.04700	6.9
117.05481	1.5
117.07008	15.5
119.04939	2.2
119.08557	36.2
121.06504	7.0
121.10120	25.6
123.04391	3.8
123.08058	9.6
123.11678	5.5
124.99993	4.9
125.05949	1.6
125.09604	19.4
127.03882	3.0
127.07537	1.6
127.11178	2.6
128.06207	2.2
129.05455	22.5
129.06949	11.8
131.04906	1.8
131.08548	23.8
133.06458	4.0
133.10114	32.8
135.08023	7.3
135.11664	17.1
136.06197	4.3
137.05965	3.0
137.09607	13.2
139.03844	3.0
141.07008	1.7
142.07762	2.4
143.06992	5.7
143.08536	3.3
143.10648	1.5
145.06473	2.2
145.10112	16.2
147.04402	3.4
147.07996	5.9
147.11664	21.6
149.09586	21.8
149.13245	13.6
151.11148	4.1
153.01825	4.0
153.12651	2.7
155.08533	2.8
155.10591	2.4
157.08597	9.2
157.10103	18.9
159.11662	12.9
161.09546	3.9
161.13123	3.0
163.11160	11.5
165.08971	2.0
165.12715	5.6
167.06992	3.6
169.10123	3.5
171.02931	3.1
171.10139	4.9
171.11687	4.9
173.09573	2.1
173.11711	13.3
173.13242	5.3
175.11174	17.1
177.12708	3.5
179.10696	1.8
181.12207	2.7
183.11650	2.0
184.07306	22.5
185.07930	1.5
185.13190	2.9
187.11134	2.2
189.11186	7.8
189.12726	2.2
191.10689	2.1
193.12209	37.8
195.13742	5.5
199.13176	8.5
200.14053	2.0
201.12662	2.1
209.11723	3.5
211.13243	47.7
211.15215	2.5
212.13527	2.2
219.06366	1.6
223.13217	1.7
227.12753	11.8
229.14299	22.0
229.19499	2.6
233.15260	2.4
247.20618	3.6
255.15678	2.6
257.18982	4.7
267.15875	30.0
269.17432	20.3
273.07474	3.6
273.18506	3.8
275.20032	33.9
276.20624	2.2
283.15353	8.2
285.16907	30.7
291.19415	5.6
293.20926	5.4
301.16431	40.9
321.96027	1.5
331.22522	1.7
347.22433	1.5
349.23688	30.3
365.23129	3.9
367.24805	5.8
371.24384	2.5
373.18402	3.9
381.22916	2.0
383.24274	6.7
411.27313	4.3
421.25830	9.4
423.27399	17.2
437.25131	2.4
439.26816	32.9
443.27972	1.8
449.28876	2.5
453.28015	2.0
455.26239	10.0
459.27103	1.9
461.29025	7.7
477.28421	7.3
478.29269	3.3
479.29852	11.5
480.30243	2.4
493.48798	1.5
495.29565	23.3
541.35101	12.9
557.34442	4.3
558.35138	2.0
559.36206	25.0
575.35742	24.7
576.35571	3.4
577.37201	8.9
583.31116	3.1
593.36780	18.7
809.36340	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.8
61.02899	0.8
65.03913	0.8
67.05488	0.9
69.03430	3.0
70.09947	3.0
71.04972	0.6
73.02911	1.0
74.08424	0.5
79.05476	1.8
80.04987	0.8
81.03404	2.1
81.05801	0.7
81.07039	0.7
82.06551	0.9
84.65457	0.6
85.02898	5.0
87.04454	1.0
91.05456	1.7
93.05770	0.6
93.07021	2.7
94.06542	5.7
95.04931	0.8
95.07349	1.4
95.08575	0.6
96.08121	5.9
97.02872	2.2
99.04485	0.7
106.06575	2.6
107.07309	1.1
107.08578	0.6
108.04462	0.7
108.08102	11.7
109.02852	0.6
109.10153	0.6
110.08891	0.7
110.09659	10.3
111.04518	0.6
116.04969	1.5
118.06512	1.2
120.04474	2.4
120.08083	10.3
121.08826	0.7
122.06017	10.6
122.09660	3.0
124.07585	5.6
127.03890	0.9
132.08083	1.0
134.05998	2.6
134.09612	0.9
136.07556	21.9
137.05956	0.7
137.08324	0.8
138.05498	1.5
138.09114	17.5
144.04387	2.6
144.08089	0.7
146.05989	7.2
146.09639	0.9
148.07547	13.1
150.09114	10.2
152.07051	22.1
158.06036	0.6
158.09724	0.6
160.03873	1.0
160.07550	2.4
162.05495	2.3
162.09132	0.6
164.07056	6.2
165.07852	0.9
166.08618	40.4
167.07007	1.3
167.09157	0.7
168.10295	0.7
172.03917	23.2
173.04285	0.6
174.05521	1.5
174.09131	0.9
176.07033	2.6
178.05028	0.6
178.08716	0.7
181.04948	1.1
182.08124	2.2
190.04970	15.5
192.06606	1.2
194.08183	1.1
197.10727	1.7
198.11508	2.4
199.12244	1.1
204.06531	40.3
205.06750	0.5
206.08105	0.6
209.10704	1.0
210.11459	3.6
211.12233	6.0
212.09424	0.9
212.13068	1.6
213.10089	1.1
218.08131	2.0
221.10872	1.0
222.11436	0.7
223.12244	3.8
224.09312	1.4
224.13029	1.4
225.10219	6.6
225.13861	1.8
226.11006	5.1
227.11809	4.7
229.09747	1.3
229.13307	1.5
235.08766	1.2
235.12178	1.2
236.09453	2.0
237.10188	7.8
237.13875	1.5
238.10953	6.8
239.11766	10.2
240.12471	1.0
241.09760	1.1
241.13344	2.0
243.11288	1.5
246.07585	1.7
248.09537	1.1
249.10201	6.8
250.10878	5.2
251.08182	1.4
251.11760	14.3
252.08966	1.5
252.12437	3.5
253.09674	2.4
253.13275	5.4
254.10504	0.9
255.11238	3.9
256.12143	2.9
257.12878	2.4
259.14386	1.9
261.10114	0.8
262.10962	1.5
263.08829	1.1
263.11758	16.3
264.08743	3.0
264.12506	4.0
265.09769	6.0
265.13379	7.0
266.10495	5.1
266.13480	0.9
267.11261	17.7
268.11783	2.5
269.12830	4.6
271.10925	2.2
271.14453	4.0
273.12329	3.1
275.11575	1.2
276.08963	0.7
277.09775	2.8
277.13165	0.9
278.10428	3.6
279.11237	27.1
280.11917	5.1
281.12781	11.0
282.10123	1.3
282.13611	1.5
283.10803	4.4
283.14380	1.5
284.11505	10.0
285.12296	32.5
286.12799	1.3
287.13947	1.9
289.15454	2.6
291.11224	13.2
291.14447	1.1
292.11862	3.4
293.09207	2.0
293.12711	10.2
294.09830	1.0
294.13489	0.7
295.10815	4.3
295.14575	1.5
296.11475	4.9
297.12305	43.9
298.13013	3.2
299.13846	7.5
307.10861	2.9
309.12302	17.7
310.13171	3.4
311.10202	5.4
311.13922	4.4
312.10931	1.2
313.11807	1.6
313.15411	0.8
319.10693	7.9
320.11310	0.8
321.12262	10.9
322.12869	0.7
323.10257	9.8
323.13916	1.1
324.11005	1.6
325.11792	19.2
326.12457	1.3
327.13354	12.0
328.14249	1.6
329.15076	0.9
330.15933	0.8
337.11768	46.5
338.12302	3.7
339.13388	7.1
340.14276	0.8
341.11392	1.7
341.15070	1.3
342.15955	1.2
343.12933	2.9
344.13678	1.0
344.17499	1.1
346.19147	1.2
355.13013	3.1
356.13672	1.3
357.14417	13.2
358.15414	1.9
359.16003	2.1
367.12946	1.0
369.14471	5.7
370.15210	1.7
371.16074	2.5
372.17221	1.5
373.13971	3.2
374.18552	1.6
376.20386	1.3
384.17282	1.1
385.13959	1.7
386.19003	1.1
387.15359	0.7
388.16452	1.2
390.18048	1.2
392.19730	1.9
398.18625	0.6
399.15625	1.8
400.16257	3.7
402.18100	2.3
403.18762	0.8
404.19733	4.0
406.17709	1.3
412.16696	1.7
414.18268	1.6
416.19781	1.6
418.17581	2.1
419.18173	0.7
420.19016	1.6
421.19675	1.3
422.20697	2.6
430.17502	6.9
431.18500	1.0
432.19138	6.5
434.20554	0.8
436.18597	1.6
442.17462	2.8
444.19131	2.0
446.20932	3.4
448.18527	16.9
449.19345	12.8
450.20190	12.2
457.45340	0.7
460.18616	10.4
461.19193	1.5
462.20300	4.6
463.21121	1.5
472.18634	2.7
474.20126	3.4
475.20929	0.7
476.17764	4.7
477.18820	4.7
478.19543	3.5
480.21030	3.2
487.16968	5.6
490.19690	21.4
491.20413	2.2
492.21167	8.7
505.18024	1.2
506.22900	1.2
519.19965	0.9
522.22284	18.0
523.22913	2.5
524.23407	0.9
566.24884	0.7
567.25848	1.1
571.24689	0.8
580.23242	0.7
594.24506	2.1
595.25507	9.1
608.25970	1.7
609.26105	0.7
611.24567	2.5
612.25385	4.3
613.26477	100.0
614.26868	6.1
634.24048	1.3
636.25195	1.1
645.29169	21.2
646.28967	1.6
652.24976	17.3
653.25519	6.9
654.26642	2.4
673.15607	0.8
684.27484	16.7
685.28180	4.6
686.28394	0.7
757.30286	0.6
771.04047	0.6
775.31744	31.8
776.32550	3.0
807.34082	5.9
829.95410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.1
59.62058	0.4
61.02925	1.0
61.30788	0.4
65.03917	0.7
67.05492	1.2
69.03417	4.6
69.07058	0.5
71.01331	0.4
71.62072	0.6
73.02901	0.8
73.48836	0.4
79.05480	2.2
79.87518	0.3
80.04980	0.9
81.03401	2.0
81.05813	0.4
81.07056	1.4
82.06577	0.8
83.04984	0.5
85.02888	5.9
87.04436	0.7
91.05451	2.3
93.05773	1.0
93.07031	3.1
94.06559	6.3
95.04979	1.3
95.07339	2.2
95.08605	1.1
96.08119	8.1
96.08733	0.4
97.02885	3.0
97.06528	1.0
99.04472	0.8
103.05453	1.0
105.07016	1.1
106.06537	2.5
106.07167	0.4
106.51293	0.5
107.04946	1.0
107.07339	1.7
108.04485	0.7
108.08107	14.4
109.02879	1.4
109.06513	0.5
109.08935	0.6
109.10122	0.6
110.05997	1.0
110.09666	12.2
116.04966	1.1
118.06545	0.8
119.08595	0.6
120.04465	2.5
120.08092	10.5
121.06500	1.1
121.08887	1.1
122.06016	11.9
122.09643	4.0
123.04398	0.8
124.07593	7.8
124.94616	0.4
127.03899	1.5
131.08678	0.4
132.04424	0.4
132.08087	1.4
134.05988	3.1
134.09622	0.4
135.06828	0.7
135.11713	0.5
136.07561	26.8
137.05965	1.2
137.08276	0.7
137.09488	0.4
138.05527	1.3
138.09120	19.5
139.03868	0.7
144.04446	3.5
146.05991	7.8
146.09671	0.7
147.04413	1.6
147.08044	0.6
147.11809	0.4
148.07555	16.5
149.08260	0.6
150.05521	0.7
150.09125	14.8
152.07047	24.8
158.06004	0.8
160.03938	1.7
160.07561	1.7
161.05998	0.7
162.05505	3.4
162.09137	0.9
163.11163	0.6
164.07050	8.8
165.05496	0.5
165.07912	0.6
166.08620	42.2
167.07014	3.4
172.03909	29.4
174.05438	2.0
174.09143	1.8
175.06291	0.5
176.07082	2.7
177.05496	0.6
178.04974	0.7
178.08643	1.2
180.10158	0.9
181.04976	1.7
182.08148	3.5
182.09584	0.9
183.09299	0.5
184.09900	0.8
184.27699	0.5
190.04974	15.7
190.06732	0.8
191.07022	0.5
192.06554	1.0
192.10226	0.5
194.08102	1.0
196.09822	0.6
197.10759	1.6
198.11488	3.1
199.12292	1.3
200.07091	0.6
201.10097	0.5
204.06535	51.7
205.06953	0.8
206.08080	0.7
207.09309	0.6
209.08658	0.4
209.10751	1.4
210.09424	0.8
210.11435	3.7
211.08827	0.7
211.12247	6.5
212.09174	0.6
212.13023	2.1
213.10245	1.4
213.13692	1.0
214.10799	0.5
218.08139	1.6
221.10710	0.7
222.07686	0.8
222.11391	0.8
223.08658	1.0
223.12216	4.6
224.09473	1.2
224.13116	1.5
225.10182	7.2
225.13893	1.4
226.10945	4.3
227.11754	5.2
229.09782	1.3
229.13405	1.5
233.10674	0.9
235.08746	1.5
235.12196	2.2
236.09467	1.8
236.12933	0.5
237.10185	7.9
237.13895	1.8
238.10960	7.5
239.11760	9.5
240.12506	1.1
241.09793	0.7
241.13374	2.8
243.11343	1.4
245.12820	0.7
246.07625	0.7
248.09308	1.0
249.10208	6.5
249.13956	0.6
250.10901	5.6
251.08173	1.0
251.11769	14.3
252.08981	1.3
252.12482	3.8
253.09665	2.1
253.13307	4.7
254.10455	1.3
255.11185	3.9
256.11978	2.8
257.12875	1.9
259.14407	1.5
261.10336	0.8
262.11084	2.5
263.08099	0.8
263.08728	0.6
263.11761	14.3
264.08783	3.1
264.12482	3.8
265.09760	6.7
265.13348	6.8
266.10492	5.5
266.13406	0.8
267.11249	18.5
268.11993	1.6
269.12820	6.0
270.13531	0.6
271.10815	2.7
271.14426	5.3
273.12256	3.0
275.11844	1.3
276.08521	0.6
277.09747	2.6
277.13354	0.6
278.10452	3.5
279.11246	28.9
280.11926	5.7
281.09665	0.6
281.12811	11.4
282.10004	2.0
282.13593	1.3
283.10779	5.1
283.14337	1.4
284.11505	10.5
285.12296	31.9
286.12808	1.1
287.13943	1.9
289.15326	2.9
291.11221	14.4
292.11969	4.3
293.09232	2.6
293.12857	11.7
294.09964	0.6
294.13342	1.1
295.10788	4.5
295.14438	1.6
296.11563	5.1
297.12305	45.7
298.12958	3.6
299.13831	6.2
305.09296	0.9
307.10767	2.6
307.13974	0.6
309.12289	19.4
310.13007	3.6
311.10226	4.3
311.13898	4.3
312.11014	1.2
312.14880	0.4
313.11841	2.1
313.15201	0.7
315.13547	0.5
316.14331	1.0
319.10718	9.8
321.12366	9.6
322.12897	0.5
323.10248	9.2
323.13837	1.2
324.10934	0.9
325.11792	19.5
326.12433	1.9
327.09509	0.5
327.13330	10.2
327.17081	0.7
328.14169	1.0
329.14941	1.2
330.15735	0.9
331.16681	0.6
337.11777	48.1
338.12344	2.5
339.13464	6.6
340.14056	0.9
341.11298	1.5
341.15002	1.1
342.16043	0.8
343.12793	2.5
343.16476	0.6
344.17511	1.4
346.19101	1.1
348.20758	0.7
348.54639	0.4
351.13315	0.9
355.12827	4.6
355.16626	0.5
356.13541	0.8
357.14420	16.1
358.15393	1.8
359.15909	2.5
362.18756	0.7
367.12729	0.6
368.13852	0.5
369.14322	7.7
370.15390	2.4
371.16074	3.2
372.17120	1.4
373.13760	4.1
374.18787	0.8
376.16110	0.8
376.20432	0.8
385.13910	1.9
386.18680	0.8
387.15317	0.8
388.16309	0.9
390.18039	1.7
392.19736	1.7
399.15381	1.5
400.16241	2.9
401.17273	1.3
402.18100	2.5
403.18851	1.0
404.19937	3.1
406.17575	0.6
412.16708	1.7
414.18024	1.1
416.19855	1.4
418.17096	2.5
420.19101	1.5
421.19955	1.0
422.20645	3.3
428.19894	1.0
430.17426	7.1
431.18420	1.0
432.19150	4.9
433.19894	0.8
434.21045	0.6
436.18631	1.4
442.17685	2.9
444.19159	2.1
446.21075	3.5
448.18555	17.0
449.19382	11.5
450.20132	10.8
450.25989	0.7
451.20538	0.6
456.18805	0.6
458.16925	0.6
460.18591	11.2
461.19174	2.3
462.20148	4.5
463.20886	1.3
464.21628	0.6
472.18335	2.0
474.20258	3.6
476.18018	4.7
477.18970	4.8
478.19727	4.8
480.21158	3.4
487.17130	3.6
489.18491	0.6
490.19678	20.5
491.20160	3.2
492.21222	10.7
493.21835	0.6
505.18155	0.5
506.22766	1.9
519.19763	1.0
521.21136	0.6
522.22290	24.1
523.22894	2.8
524.23840	0.9
566.25665	0.6
567.26013	1.3
585.27612	0.6
594.24670	2.4
595.25372	8.1
608.26031	1.3
610.25336	0.5
611.24573	1.8
612.25397	4.0
613.26477	100.0
614.26715	4.9
616.21936	0.5
627.27466	0.5
636.25458	1.4
645.29053	23.7
646.29260	0.8
652.14014	0.9
652.24951	17.0
653.25793	6.0
654.26379	3.0
684.27472	19.7
685.28113	5.1
686.28790	1.1
757.30719	0.8
775.31714	27.6
776.31952	1.8
807.34674	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	806.5401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	9.9
57.07066	5.6
58.10534	1.2
65.03944	2.0
67.05496	57.3
69.03412	1.4
69.07059	18.4
69.50397	1.2
71.01321	1.5
71.05032	1.1
71.08616	1.5
73.02885	1.3
77.95742	1.0
79.05483	37.9
81.03402	1.2
81.07046	66.8
83.04984	2.9
83.08609	8.1
85.02898	5.5
85.06519	2.5
86.09709	2.8
87.98683	1.1
91.05468	21.8
91.67042	1.1
93.07033	51.5
95.01328	3.5
95.04959	4.8
95.08595	52.0
96.08886	1.6
97.06516	2.8
97.10146	3.5
99.08125	1.5
105.04507	1.5
105.07018	21.4
107.08579	27.4
109.02528	1.0
109.06543	1.4
109.10139	22.7
111.08063	1.8
111.11653	1.1
113.02359	2.6
117.06992	6.9
119.08564	14.7
121.10125	24.3
123.08005	2.0
123.11683	9.3
123.25158	1.1
124.99976	2.1
131.03447	1.6
131.08542	12.9
133.10109	12.4
135.11674	16.1
137.13237	3.0
141.01782	2.0
143.08536	2.2
145.10127	11.6
145.61012	1.1
147.11685	12.9
149.09644	1.2
149.13216	9.5
159.11687	10.6
161.13219	7.9
163.11201	1.7
163.14780	3.9
171.11702	2.4
173.13269	6.7
175.14763	3.4
184.07292	11.4
185.13255	2.3
187.14818	3.6
199.14851	2.3
201.16325	1.5
213.16457	1.5
215.17944	1.9
229.14211	1.2
229.31766	1.5
241.19518	2.7
243.21002	5.6
259.20587	6.0
261.22104	21.6
263.23605	1.4
277.60822	1.2
315.23288	1.4
316.27435	1.2
317.24634	3.1
333.24191	5.2
335.25769	100.0
336.26117	2.2
337.27322	8.7
385.95416	1.2
511.28900	4.5
521.43274	2.2
563.12976	1.3
571.46851	5.1
589.47784	1.6
595.47107	15.5
613.48212	12.4
614.48059	1.3
675.09015	1.3
805.50519	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.8
57.03419	0.1
57.07055	0.1
58.06614	0.5
59.07370	0.1
60.08152	6.0
67.05476	0.3
69.07049	0.1
69.30046	0.6
69.30451	0.1
70.06587	0.1
71.07359	3.3
71.08606	0.1
79.05466	0.3
81.07039	0.4
83.04966	0.1
86.09688	30.5
87.10007	0.2
91.05449	0.2
93.07011	0.2
93.23654	0.1
95.08570	0.3
97.06527	0.1
98.97921	0.1
98.98442	2.8
104.10722	2.8
105.07004	0.2
107.04900	0.1
107.08584	0.2
109.06503	0.1
109.10139	0.1
116.99437	0.1
119.08529	0.1
121.10141	0.1
124.99978	21.1
126.00375	0.1
133.10086	0.2
143.01047	0.4
166.02641	0.3
184.07301	100.0
185.07664	0.8
216.31656	0.1
221.14003	0.1
458.73593	0.1
489.52100	0.1
496.33957	0.2
612.27393	0.1
650.43805	1.8
690.46936	1.7
752.52472	0.5
770.53204	1.7
771.53857	0.1
788.54211	2.2
789.54791	0.1
806.55310	4.3
807.55652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	16.0
57.07061	3.5
59.04990	22.8
60.08157	1.1
61.02913	4.8
62.24620	1.0
65.03922	4.7
67.05492	100.0
68.05816	2.9
69.03416	9.7
69.07056	28.5
70.07395	0.9
70.22141	4.1
70.22475	1.1
71.04980	22.4
73.02917	1.3
73.79718	1.1
77.03899	1.1
79.05478	58.9
80.05834	1.2
80.06257	1.8
81.03406	21.8
81.07040	71.4
82.07371	2.1
83.01321	1.2
83.04968	12.8
83.08603	20.0
85.02889	8.0
85.06531	8.1
86.09694	4.3
87.04456	21.4
91.05462	62.6
92.06246	1.6
93.07022	52.4
94.07317	1.3
94.07844	1.5
95.04949	15.8
95.08585	36.0
96.08912	1.3
97.02878	5.4
97.06518	12.0
97.10152	14.7
99.04438	9.3
99.08089	2.8
101.05990	1.3
103.03902	1.2
103.05439	2.8
105.04499	1.8
105.07012	55.4
106.07281	1.2
107.04950	7.2
107.08574	36.7
109.02846	1.7
109.06493	8.5
109.10136	52.1
110.10510	2.7
111.04426	2.6
111.08052	5.8
113.09592	1.3
115.05439	2.4
116.06230	1.8
117.06995	25.4
118.07858	1.3
119.08561	42.6
121.06499	6.8
121.10114	23.4
123.08019	5.3
123.11681	6.6
124.99996	3.6
125.05979	1.4
125.09597	13.1
127.03902	2.3
128.06175	3.1
129.05472	2.6
129.06979	14.4
130.07770	1.9
131.08542	30.5
133.06491	2.3
133.10103	32.2
135.08047	5.3
135.11671	14.4
137.09583	6.6
139.11140	1.6
141.06966	3.3
142.07761	2.8
143.08516	13.3
144.09351	1.8
145.06493	2.5
145.10098	26.3
147.08040	4.9
147.11661	20.7
149.09587	9.7
149.13216	6.3
151.11171	5.2
153.09171	1.5
153.12708	1.5
155.08453	5.3
155.10585	2.4
157.10106	12.6
159.08037	1.9
159.11661	19.7
161.09598	4.3
161.13223	8.0
163.11186	6.5
165.12732	3.2
167.08513	1.2
168.09207	1.5
169.10049	6.0
171.10220	1.8
171.11613	11.3
173.09578	3.5
173.11710	13.4
173.13240	8.7
175.11134	5.9
175.14833	3.2
177.12733	4.0
179.08597	1.3
179.14348	2.5
181.10031	2.3
181.12256	1.6
183.11655	8.9
183.13776	1.9
184.07307	16.2
185.09538	1.2
185.13197	7.7
187.11264	2.3
187.13260	2.3
187.14835	3.5
189.11194	2.9
189.12727	2.4
191.10562	2.5
191.14340	1.1
193.10287	1.3
193.12234	7.2
195.11711	2.9
195.13560	1.8
197.13246	4.3
199.11461	1.0
199.13217	3.9
199.14839	4.7
199.16635	1.1
201.12706	2.1
209.13263	1.9
211.13191	5.0
211.14946	1.8
213.16328	1.7
215.14325	2.3
219.13869	1.1
221.13252	1.4
223.13094	1.5
223.14966	1.4
225.14731	5.6
227.12631	6.4
227.17818	1.1
229.14278	33.2
229.19388	1.6
230.14497	2.2
239.17941	2.2
241.14177	2.2
241.19458	5.2
243.15810	2.4
247.20538	1.2
249.14491	1.5
257.19208	6.7
258.19730	2.8
259.20544	13.2
267.15820	17.5
269.17331	2.2
269.19293	1.1
271.20532	1.3
272.65701	1.1
273.18771	1.3
275.20001	19.0
276.20313	2.1
283.15518	2.2
284.15652	1.3
285.16931	2.1
287.20013	4.3
289.21677	1.4
291.19513	2.0
293.21091	1.7
295.20581	2.5
297.22177	2.5
301.16595	2.1
301.20166	4.9
313.21631	4.0
315.18051	3.6
315.23309	2.5
323.19623	1.1
325.21677	1.2
331.22681	2.5
333.18756	1.3
333.19965	1.2
333.24149	11.1
343.22546	1.6
346.16406	1.1
349.23730	11.8
350.23978	2.2
361.23834	2.0
387.25116	1.7
397.25797	3.7
411.27347	2.8
423.27417	2.3
431.29108	2.9
435.26990	1.6
439.26642	2.0
449.30194	3.7
455.30206	6.5
461.29071	1.6
467.31259	3.9
475.33920	3.5
485.32498	1.4
487.34003	4.6
503.33719	1.9
504.34286	16.4
505.34518	5.4
515.33154	2.7
517.35150	8.8
523.33820	3.4
531.37299	2.2
533.34320	2.4
541.35358	17.4
542.35187	1.3
543.36395	4.6
559.36169	4.8
573.37549	7.2
575.38989	3.5
591.38660	3.6
609.36688	1.9
735.41455	1.1
807.40308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74810	0.9
57.03422	18.0
57.07048	2.2
59.04995	1.0
61.02905	1.4
65.03930	2.7
67.05493	64.2
69.03419	8.3
69.07055	25.0
69.53837	8.3
71.01330	1.8
71.04979	7.1
71.08614	0.9
73.02905	1.7
75.50311	1.0
79.05479	50.0
81.03403	80.2
81.07041	61.8
82.07372	1.2
83.04970	11.7
83.08601	26.7
85.02890	5.2
85.06535	6.5
86.09654	2.1
91.05465	48.8
93.07028	50.4
95.04948	37.9
95.08591	26.2
97.02889	5.7
97.06507	14.2
97.10149	16.7
99.04436	2.4
99.08075	2.5
105.04512	1.4
105.07013	40.0
107.04936	14.5
107.08575	35.2
109.02803	1.5
109.06477	8.6
109.10130	20.7
111.04439	3.7
111.08064	11.6
111.11705	1.2
113.06001	1.5
115.05434	3.4
117.06994	16.2
118.45789	0.9
119.04958	1.6
119.08554	33.4
121.06488	8.5
121.10118	19.5
123.04407	2.1
123.08065	5.6
123.11649	4.5
124.99997	2.2
125.05901	1.2
125.09606	15.2
127.03896	1.1
128.06201	2.1
129.05470	1.8
129.06970	14.4
131.04973	1.3
131.08543	23.0
133.06474	4.7
133.10104	26.6
135.08032	6.9
135.11653	15.0
137.09566	5.2
137.27560	1.0
139.11142	1.0
141.06964	3.1
142.07732	2.9
143.08531	6.7
145.06474	3.6
145.10088	16.9
147.07990	6.4
147.11655	17.7
149.08534	1.3
149.09604	13.1
149.13240	9.4
151.07466	1.4
151.11143	4.5
153.09079	1.9
155.08502	4.4
157.06444	1.2
157.10109	14.2
159.08095	2.3
159.11674	10.4
161.09602	3.9
161.13208	2.6
163.11133	8.8
165.09068	1.3
165.12677	2.4
167.08540	1.4
169.10085	3.7
171.08084	1.5
171.10376	0.9
171.11621	5.8
173.04393	1.1
173.09605	2.3
173.11787	1.7
173.13213	3.8
175.11137	10.8
177.12726	4.6
179.10645	1.0
179.14302	1.3
181.10030	1.5
181.12207	3.0
182.10886	1.4
183.11667	4.1
184.07242	7.7
185.13203	3.1
187.11130	2.8
187.14821	1.7
189.11191	6.8
190.25354	1.1
191.10559	1.5
193.12202	25.1
195.11789	1.8
195.13802	4.1
197.13275	2.0
199.11053	1.1
199.14783	1.4
201.12755	1.7
203.14285	1.5
205.12256	2.8
209.11580	1.9
209.13316	1.3
211.13165	5.5
217.15877	1.6
223.13190	1.7
227.12700	12.8
229.14246	5.3
231.13687	1.3
235.16977	1.5
239.14218	1.2
239.17926	1.7
243.15816	1.2
245.13721	2.3
245.19061	1.1
249.14819	3.4
253.14383	3.4
255.15764	11.7
257.15295	1.5
257.18939	4.0
259.13135	1.2
267.15869	76.3
268.16071	1.4
269.17435	27.4
270.17664	1.0
273.15219	1.0
273.18509	1.9
275.20023	17.1
277.25760	1.0
283.15399	3.1
285.16934	2.0
291.19437	5.0
293.20996	1.5
297.22095	1.2
299.19919	1.5
301.16861	1.4
309.73233	1.0
313.21490	1.3
317.15988	1.0
331.22604	2.2
337.21713	1.0
340.67386	1.0
347.22018	1.4
349.23706	18.8
351.23117	1.9
355.22375	1.0
365.23059	2.2
367.24612	4.4
369.24240	3.1
387.25214	2.1
419.24167	1.6
421.25867	5.1
435.27380	3.7
437.25150	3.6
443.27844	10.3
445.29245	1.8
447.27338	28.5
449.30206	3.1
459.27203	3.8
461.28922	100.0
462.29285	3.8
467.31384	3.8
475.30286	1.4
477.28403	2.0
479.30240	2.2
485.32687	1.4
493.31552	11.6
501.32245	1.5
503.29987	1.7
511.28552	2.2
519.33026	2.1
523.33734	3.2
531.36932	1.3
541.35162	54.6
542.35663	4.7
559.36163	24.8
560.36499	1.4
569.31494	2.1
573.37347	1.9
583.36401	1.3
587.31708	2.0
591.38116	3.4
605.32959	1.2
609.35632	1.2
623.33337	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	21.6
57.07063	2.7
59.04988	10.7
61.02909	4.4
65.03922	5.2
67.05495	100.0
68.05830	2.4
69.03416	11.3
69.07059	32.4
71.01350	1.3
71.04986	15.5
71.08627	1.9
73.02895	2.9
79.05482	77.1
80.05799	2.1
81.03409	90.3
81.07046	87.9
82.03724	2.3
82.07378	2.1
83.04967	16.5
83.08130	2.2
83.08610	32.6
84.08904	1.2
84.94736	1.0
85.02890	9.3
85.06525	7.9
86.09708	1.9
87.04464	11.0
91.05468	83.4
93.07032	78.9
95.04358	2.1
95.04956	37.7
95.08591	47.5
97.02890	9.0
97.06525	13.6
97.10149	15.1
99.04412	3.8
99.08077	4.6
101.02378	1.2
103.03920	1.5
103.05460	3.6
105.04514	1.2
105.07018	67.5
106.07317	2.3
107.04945	14.2
107.08585	42.5
108.08945	1.5
109.02889	1.7
109.06490	12.2
109.10139	40.9
110.10466	2.0
111.04409	3.4
111.08054	11.7
113.09631	2.0
115.05432	5.3
116.33119	1.2
117.07005	28.2
117.27342	0.9
119.04881	1.8
119.08562	53.3
120.08891	2.4
121.06487	11.0
121.09286	2.2
121.10130	30.6
122.10458	1.1
123.04429	2.5
123.08052	8.3
123.11682	6.0
125.09615	17.3
127.03874	3.1
128.06233	5.5
129.05429	3.9
129.06985	25.8
131.04985	1.1
131.07565	2.2
131.08553	40.2
133.06483	5.1
133.10112	42.6
134.10454	2.5
135.08040	7.2
135.11656	16.0
137.09584	6.0
139.07506	1.3
139.11111	2.3
141.06982	4.7
142.07735	4.4
143.08528	14.5
145.04918	1.4
145.06462	3.6
145.10094	29.2
147.08029	6.0
147.11664	28.0
149.09595	16.6
149.13245	9.3
151.11139	4.1
153.06995	1.5
153.09099	3.2
155.08545	7.9
157.10101	24.7
159.08035	3.4
159.11673	20.8
160.08641	1.1
161.09610	4.3
161.13249	10.8
163.11160	8.5
165.12708	4.9
167.08504	3.8
169.10059	9.1
171.08015	2.9
171.11642	12.4
173.09569	4.1
173.11708	8.1
173.13242	9.8
175.11130	11.7
175.14799	4.0
177.12740	4.5
179.08446	1.8
179.14240	2.0
181.10083	3.9
181.12305	1.2
183.11653	8.7
183.78191	1.2
184.07301	4.0
185.02956	1.1
185.09575	1.8
185.13260	9.7
185.37814	1.3
187.11166	3.2
187.14848	4.0
189.11188	8.7
189.12759	2.3
189.16339	1.5
191.10510	1.5
191.14314	1.7
193.10324	2.3
193.12228	23.4
194.42586	1.1
195.11684	5.8
195.13777	3.9
197.13254	6.2
197.14999	1.2
199.11324	1.7
199.13141	2.4
199.14784	4.0
201.12741	2.6
201.16466	2.4
203.14301	2.2
207.11758	1.6
209.13222	4.7
211.13234	8.9
211.14813	2.0
213.12822	2.2
213.14578	1.3
213.16412	2.6
215.14424	1.7
217.15884	3.5
219.13721	1.7
221.13226	2.7
221.15230	1.6
223.14876	1.8
225.12819	1.5
225.14789	3.5
227.12686	14.3
229.14288	17.9
231.17413	2.4
231.21030	1.4
233.15349	2.5
235.14911	1.2
239.17950	3.0
241.19458	4.2
245.19035	1.5
249.14680	3.2
253.14163	5.7
254.14694	2.9
255.15559	1.2
257.19025	5.5
258.19504	1.4
259.20544	18.3
267.15881	69.5
268.16183	4.0
269.17410	14.3
273.14911	1.4
273.18460	5.5
275.20010	14.1
285.17215	1.8
285.22031	1.9
287.19916	1.4
291.19717	1.2
293.21033	3.2
295.20505	1.2
297.21988	2.3
299.20325	2.4
299.23734	3.9
301.14008	1.6
311.19879	1.2
313.21616	1.8
315.23160	3.0
325.21555	2.3
329.20871	2.3
331.22668	1.3
333.24399	10.6
337.21606	1.8
339.23175	1.9
341.24704	1.9
343.22476	2.0
347.21829	1.3
349.23798	11.4
350.16962	1.2
351.23209	4.8
365.23303	1.6
366.23422	1.6
367.24060	2.1
369.24316	5.5
387.25174	3.5
403.24542	2.6
405.26172	2.1
421.25848	11.8
421.31021	2.2
431.29111	1.7
433.31018	6.7
435.27435	5.2
439.26877	1.8
443.27951	7.7
447.27203	4.6
449.30173	3.5
451.31909	6.5
461.22437	1.7
461.28961	33.9
462.29181	1.7
469.33032	3.2
473.28711	2.8
475.30481	1.6
477.28973	1.4
479.30109	1.6
487.34045	4.0
493.31458	8.8
504.34146	3.4
505.34787	1.6
507.34482	3.4
513.34930	1.6
517.34985	1.5
523.34082	2.1
525.35645	30.7
526.35492	1.6
541.35211	19.8
543.36743	62.5
544.36719	3.6
555.36841	1.4
557.38495	6.8
558.35229	3.1
559.35547	10.4
573.37677	2.6
575.39337	10.4
576.39734	1.4
591.38635	2.2
609.36890	1.6
626.44513	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	25.8
57.07071	1.5
59.04991	3.6
61.02909	4.0
65.03943	4.4
65.34464	0.9
67.05496	100.0
68.05831	1.3
69.03420	9.3
69.07059	18.6
71.01344	2.1
71.04987	8.0
73.02912	4.4
79.05483	46.4
80.05769	1.0
81.03407	74.0
81.07047	54.8
83.04972	26.2
83.08608	32.5
85.02891	34.3
85.06520	6.0
86.09705	3.2
87.04462	4.6
89.71859	0.9
91.03941	2.1
91.05470	50.7
93.07032	34.6
95.04959	32.8
95.05547	2.1
95.08593	24.6
97.02879	9.7
97.06526	9.7
97.10151	16.9
98.21549	1.8
99.04436	1.9
99.08107	2.6
103.03970	0.9
105.03358	1.0
105.04527	1.1
105.07017	33.7
107.04945	14.0
107.08588	20.7
109.06522	9.1
109.10141	68.0
111.04423	3.7
111.08060	16.1
113.06001	3.0
115.05441	2.3
117.07002	6.2
119.04924	1.0
119.08559	29.1
120.08965	1.0
121.06489	4.0
121.10111	14.7
123.04391	1.8
123.08073	5.6
123.11676	2.3
124.99977	2.1
125.05959	1.3
125.09613	15.1
127.03868	1.5
127.11160	1.7
129.05460	4.2
129.06990	14.0
131.04997	1.0
131.08557	16.7
133.06512	4.3
133.10118	21.5
133.11082	1.8
135.08029	2.2
135.11665	6.0
137.09586	5.7
142.07736	4.5
143.08505	1.0
143.10661	2.8
145.06459	1.1
145.10101	9.2
147.08078	5.3
147.10606	1.7
147.11676	18.1
148.12071	1.3
148.65454	0.9
149.09593	10.1
151.11171	2.7
153.12717	3.6
155.10632	3.2
157.08748	1.8
157.10101	19.0
159.11662	2.0
161.09651	1.1
163.11139	12.1
165.12769	3.7
169.10158	1.1
173.09601	2.6
173.11717	19.2
173.13142	1.5
175.11156	20.9
181.12241	2.6
184.07332	9.4
185.13319	1.4
191.10608	4.5
193.12221	60.9
199.13235	6.7
209.11682	8.4
211.13266	90.8
212.13756	1.4
217.14223	1.1
227.12769	11.8
229.14328	63.6
230.14734	1.5
249.14850	1.2
253.14346	4.8
255.15828	1.6
265.14362	1.4
267.15878	37.2
268.16229	1.8
273.18436	2.2
275.20132	1.2
283.15417	7.4
285.16928	65.6
286.17337	0.9
291.19510	2.3
297.51614	1.1
301.16443	18.5
365.23361	1.3
383.22235	1.2
399.23752	27.5
401.23358	1.6
409.25763	5.1
421.25836	15.2
427.26608	4.7
437.25171	1.2
439.26843	49.0
440.27045	2.1
459.26877	1.6
464.27249	0.9
475.26712	4.1
476.27289	1.8
477.28329	1.7
493.28098	5.6
494.28790	1.4
495.29132	0.9
511.28928	11.7
519.33032	1.2
529.29791	1.4
543.36481	1.6
557.34460	1.3
558.35419	1.4
559.35291	2.2
591.34912	4.3
609.36237	51.9
610.36078	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	806.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	26.1
57.07069	6.3
59.04976	1.3
61.02922	8.6
65.03927	5.3
66.19046	1.0
67.05493	100.0
69.03413	13.1
69.07056	57.7
70.04223	1.0
70.22131	4.7
71.01324	4.3
71.04984	9.5
73.02896	7.8
74.76715	1.1
77.03896	1.6
79.05480	76.6
80.06261	2.1
81.03403	33.5
81.07042	75.1
82.04186	5.2
83.04965	22.6
83.08609	22.7
84.02095	1.8
85.02888	15.1
85.06522	7.3
87.04436	1.6
91.03938	4.3
91.05463	69.5
93.07024	60.4
94.04204	1.6
94.07788	1.4
95.04954	34.7
95.08592	48.9
96.05759	2.5
97.02885	10.8
97.06515	28.8
97.07134	1.8
97.10145	24.3
98.07309	9.0
99.04466	2.4
99.08070	5.6
101.06023	1.9
103.03893	1.4
103.05466	2.3
105.07012	45.3
107.04939	20.4
107.08578	37.0
109.02852	2.5
109.06517	11.0
109.10135	44.3
111.04414	4.4
111.08074	11.8
113.05980	1.7
113.09623	1.2
115.05371	2.5
115.07561	1.2
116.04699	16.4
117.05569	1.5
117.06989	18.9
119.08561	39.7
121.06476	7.7
121.10120	18.7
123.08045	15.0
123.11659	4.5
125.09608	26.7
127.03893	3.3
127.11180	2.2
128.06209	1.9
129.04483	2.3
129.05458	33.9
129.06944	10.7
130.07742	2.1
131.08543	25.3
132.09293	1.4
133.06487	3.7
133.10103	31.4
133.11072	2.2
135.08061	7.5
135.11658	15.6
136.08813	1.9
137.09593	18.1
138.57928	1.1
141.07001	2.5
141.08926	1.1
142.07745	2.5
143.06987	7.3
143.08565	5.5
143.10706	2.0
144.09323	1.4
145.06493	1.5
145.10095	23.4
147.08047	5.4
147.11673	17.1
149.09605	26.4
149.13290	1.8
151.07544	1.6
151.11208	5.3
153.09067	3.3
153.12717	2.0
155.08531	1.9
155.10652	2.7
157.08577	15.9
157.10088	10.7
158.05753	2.5
159.08015	1.4
159.11638	12.7
161.09595	3.5
161.13187	5.5
163.11183	19.8
164.11938	1.9
165.12682	3.1
167.10680	2.0
169.10115	2.7
171.06523	3.2
171.10139	7.5
171.11670	4.5
173.09547	2.6
173.11714	17.0
173.13248	4.2
175.11096	9.0
177.12723	4.5
179.14313	5.3
181.12202	4.0
182.30554	1.2
183.11687	2.6
184.07339	3.9
185.08127	1.6
185.11757	2.6
185.13263	2.0
187.11214	2.5
187.13278	1.9
187.14827	1.7
189.11212	11.4
189.12700	2.4
191.10663	1.8
191.14183	1.6
193.12238	11.3
197.13188	2.2
199.09576	2.4
199.13263	11.4
199.14828	1.8
200.13951	3.6
201.12762	1.9
201.14780	1.9
209.11682	7.3
210.12427	2.2
211.13240	8.6
211.14915	1.2
215.14301	1.5
223.13240	2.8
225.11122	1.8
225.26025	1.3
227.12717	18.4
227.17918	1.5
229.14240	16.0
229.19423	2.1
239.18018	2.1
241.14467	1.5
243.15900	4.9
247.20572	2.9
253.14290	4.8
253.18034	1.5
255.15782	8.1
257.19070	7.4
267.15848	12.0
268.16708	1.3
269.17401	3.2
273.18448	6.2
275.20013	34.6
279.15802	1.6
283.15329	8.7
285.16910	5.1
291.19452	11.5
293.21097	2.4
297.16934	1.7
301.16415	66.6
302.16748	1.4
317.73178	1.4
326.24475	1.5
339.21860	1.2
347.22354	1.4
349.23682	37.5
350.23782	1.1
363.21655	1.3
365.23395	5.9
367.24759	1.6
383.24188	1.5
397.22131	6.9
421.25684	1.4
439.26987	2.1
452.17105	1.5
455.26172	12.2
469.27921	2.2
479.30341	7.6
481.28131	2.2
503.33179	1.6
526.90784	1.3
541.34955	3.4
557.34393	3.3
559.36230	1.7
575.35669	36.8
576.36194	2.4
593.36493	5.8
806.44641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.9
57.03188	1.4
57.03432	16.5
57.07066	1.8
60.07911	0.7
60.08154	7.0
65.03935	3.8
67.05498	50.1
69.03405	2.1
69.07059	11.0
71.04980	1.9
71.07359	3.2
77.21577	0.9
79.05482	29.5
80.05814	0.7
81.03394	2.3
81.07048	36.9
81.48154	0.8
82.01770	0.8
82.07366	1.0
83.04962	2.5
83.08626	5.2
85.06133	0.9
85.06541	9.4
86.09699	32.1
87.10023	4.5
91.05468	24.5
93.07035	33.0
94.70603	1.0
95.04959	43.6
95.08595	25.6
96.05206	0.7
97.02879	0.8
97.06512	4.7
97.10139	2.2
98.98456	3.1
99.04494	1.1
104.10723	3.1
104.16978	0.7
105.07017	15.8
107.04944	8.4
107.08588	18.9
109.02848	1.0
109.06505	39.4
109.10133	10.6
111.08044	2.2
113.05998	21.1
115.05429	2.3
117.07002	9.7
119.08559	10.4
121.06477	5.0
121.10128	10.8
123.08059	3.4
123.11699	2.3
124.99992	19.0
125.09599	1.1
126.00325	0.8
128.06163	1.0
129.06978	4.4
131.08551	13.2
133.06465	2.9
133.10103	6.9
135.08041	27.5
135.11671	7.9
137.05951	1.3
137.09610	1.8
141.06970	0.8
143.08527	6.0
145.06444	1.2
145.10098	9.8
147.08000	4.7
147.11678	4.7
149.09644	4.5
149.13213	3.1
157.10130	4.4
159.07999	2.5
159.11673	6.0
161.09637	4.8
161.13266	2.3
163.11136	3.0
163.14857	0.8
165.12692	1.0
169.10089	1.2
171.11656	2.5
173.13245	2.3
175.11125	2.1
177.12718	2.1
181.10147	0.8
183.11635	1.3
184.07318	100.0
185.07681	13.6
185.13240	1.6
187.11053	0.9
189.11145	0.9
195.11656	1.1
195.13760	1.2
195.18329	0.8
199.14767	2.3
201.12663	1.4
209.81029	0.8
217.15866	6.8
227.17877	1.1
233.15384	1.1
237.16185	0.8
245.18954	1.7
255.17500	1.6
257.82996	0.9
261.22122	1.3
273.18460	21.8
275.20026	1.6
291.19495	66.7
292.19839	1.7
309.20532	1.6
335.25772	58.8
336.26013	2.1
347.22195	7.0
365.18915	1.3
365.23209	14.6
461.93845	0.9
486.54462	0.8
567.40057	2.0
607.43671	11.5
625.44550	53.1
626.44916	3.7
672.11444	0.9
787.52856	1.2
805.53510	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	805.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.6
62.49773	0.4
66.99744	0.4
67.05477	0.6
69.03425	2.0
69.50871	3.9
74.69126	0.4
75.76101	0.5
79.05493	1.1
80.05019	0.5
81.03406	1.3
81.07037	0.7
83.73189	0.5
84.44312	0.5
85.02881	2.6
85.75120	0.4
87.71569	0.4
91.05453	1.2
93.07023	1.9
94.06561	2.9
95.04959	0.8
95.07339	0.8
95.08634	0.4
96.08124	3.5
97.02888	1.3
98.20774	0.9
99.04498	0.5
105.07002	0.7
107.07312	0.4
107.08575	0.5
108.08109	4.9
109.02863	1.0
110.09663	5.6
111.08068	1.6
120.08069	5.1
121.06490	0.6
121.10154	0.4
122.06019	3.3
122.09619	0.8
123.04459	0.4
124.07560	1.6
127.03842	0.7
133.10121	0.5
136.07559	9.0
137.09605	0.5
138.09129	7.3
139.03845	0.6
139.11116	0.5
143.71255	0.4
146.05989	0.6
146.09686	0.8
147.04408	1.8
147.11673	0.6
148.07561	2.8
149.70332	0.4
150.09135	1.7
152.07079	0.6
153.01833	0.8
162.04301	0.5
164.07045	0.8
165.09038	0.7
166.08623	13.4
167.07056	2.7
172.03903	2.1
176.07126	0.8
181.04948	1.0
184.07420	0.5
190.05003	1.0
204.06505	3.5
209.10606	0.9
211.08554	0.6
220.09850	0.5
221.10745	0.6
223.12080	0.5
225.10236	1.4
227.11818	1.1
235.08519	2.1
235.12231	0.7
236.09393	0.7
237.10187	5.5
238.10979	3.6
239.11758	3.3
247.08682	1.6
248.09393	2.1
249.10207	8.2
250.10994	9.0
251.11722	9.4
251.14044	0.7
252.08981	0.7
252.12413	1.1
253.09741	1.3
253.13289	1.1
261.10135	3.3
262.10928	2.7
263.11771	22.3
264.08847	1.5
264.12485	2.2
265.09793	3.9
265.13162	4.5
266.10550	1.2
267.11380	1.5
268.15631	0.5
269.12833	1.6
271.10809	1.1
273.12247	0.4
275.11563	0.5
276.08862	0.6
277.09692	3.7
278.10483	2.8
279.11227	17.0
280.11948	1.3
281.09576	0.8
281.12805	4.2
282.09952	2.1
283.10773	2.0
284.11548	1.2
285.12317	1.8
287.05582	1.0
287.13943	1.2
289.09756	1.9
290.10458	0.5
291.11273	11.1
292.11945	3.1
293.09412	0.7
293.12738	4.1
295.10791	4.1
295.13959	0.6
296.11505	1.6
297.12277	4.5
299.13904	0.5
307.10669	7.6
309.12286	10.0
310.12909	1.1
311.10587	0.7
311.13776	2.2
314.12451	0.5
317.09094	0.6
318.09518	0.4
319.10684	4.8
321.12244	0.8
323.10205	2.6
323.13992	4.0
325.11792	5.6
326.12534	0.5
327.13553	0.9
328.14465	0.6
330.15768	0.8
335.10196	4.2
336.11115	3.6
337.11761	29.9
338.12256	1.3
339.13602	1.0
340.14816	0.6
342.12387	0.8
342.16165	1.4
343.12988	0.7
351.13510	1.0
354.15619	1.0
355.12808	10.6
356.13687	2.9
356.17477	0.6
357.14420	20.9
358.15219	1.0
367.12894	12.2
368.13672	2.9
369.14349	14.7
370.15439	2.4
371.16562	0.7
372.16791	0.5
384.17017	1.2
386.18872	1.1
388.16351	0.5
398.14850	1.1
399.15494	2.5
400.15991	0.8
402.17728	0.7
403.18869	3.8
412.16602	0.7
414.18198	1.0
416.16058	1.3
417.15717	1.2
428.15891	0.7
429.16678	0.6
431.18179	0.6
432.19019	0.5
440.16000	0.6
442.17538	0.9
444.19397	2.2
446.16806	0.5
447.18137	0.8
448.18665	0.9
458.16846	3.2
460.18515	1.9
470.17361	0.8
472.18848	1.5
476.21912	1.0
478.19708	1.6
488.18100	2.9
490.19623	10.1
492.21191	1.9
494.23065	0.6
502.19647	1.4
503.20535	0.7
504.20734	2.1
520.20752	32.9
521.21356	7.5
522.22290	100.0
523.22601	5.2
579.46503	0.5
593.23376	0.5
611.24945	10.0
625.26404	2.3
638.27258	0.7
643.27594	12.6
650.23297	1.0
652.24316	2.7
682.26105	6.5
683.26727	3.2
684.27539	20.2
684.39349	1.0
685.27753	1.8
773.30341	3.4
805.32721	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	0.9
61.02905	0.9
65.03932	1.1
67.05495	0.8
69.03409	3.0
70.77887	1.4
71.04990	0.5
73.02908	0.5
78.46390	0.4
79.05484	1.7
80.04991	0.9
81.03412	1.8
81.07043	1.3
82.06561	0.7
85.02883	4.2
87.04451	0.5
91.05457	2.2
92.04989	0.8
93.05785	0.8
93.07005	2.1
94.06554	5.4
95.04970	1.2
95.07334	2.0
96.08105	5.1
97.02872	1.8
97.06554	0.7
99.08125	0.4
104.09596	0.4
105.07032	0.7
106.06551	0.9
107.07349	0.6
108.04457	2.4
108.08099	9.5
108.08841	0.6
109.02877	1.4
109.10154	0.6
110.09663	8.9
110.10384	0.8
116.04972	1.6
117.07057	0.5
118.06549	1.3
120.04450	4.0
120.08093	8.0
122.06013	6.2
122.09648	1.6
123.04450	1.0
124.07552	6.8
124.08356	0.7
127.03902	0.9
130.06480	0.5
133.10080	0.4
134.05986	2.9
136.07555	13.7
137.06018	0.5
137.09564	0.6
138.09117	10.9
144.04413	4.3
145.05090	0.5
145.06444	0.8
146.05968	5.5
147.04404	1.8
148.07538	4.0
150.09154	1.7
152.07077	2.1
160.03940	3.4
160.07518	0.5
162.05460	3.4
164.07056	1.3
165.05515	0.5
166.08614	17.6
167.07019	8.9
170.09607	0.7
172.03903	22.4
172.07426	0.9
173.05998	1.4
174.05492	2.2
176.07005	4.2
177.05531	0.7
178.04987	0.7
181.04900	2.8
182.09720	0.9
184.07629	0.5
186.05493	1.0
186.09116	0.5
190.04951	18.8
194.09624	0.5
195.09216	0.5
197.10783	2.7
199.08725	0.6
199.12247	2.7
204.06528	42.9
205.06883	0.8
207.09293	0.7
208.09833	0.9
209.10748	1.0
210.09125	1.7
210.11304	0.8
211.08636	2.9
211.12431	0.8
212.07536	0.5
212.09273	2.4
213.10217	1.3
223.08748	1.3
223.12296	1.7
224.09453	2.0
225.10193	8.8
226.08806	0.4
226.10988	1.4
227.09525	0.8
227.11743	13.3
227.13876	0.8
229.13402	0.7
236.09476	2.0
237.10245	3.3
238.10925	2.4
239.11691	3.9
241.09703	1.6
241.13335	0.7
242.11908	0.5
243.11313	0.8
245.12862	1.1
249.10268	2.9
250.10960	1.4
251.08192	0.8
251.11789	3.2
252.08849	0.7
252.12643	0.7
253.09689	5.9
253.13470	0.8
254.10312	0.6
255.11346	1.7
261.10202	0.7
262.10999	0.7
263.08218	1.4
263.11743	1.1
264.08914	2.6
265.09711	2.5
265.12827	0.7
266.10541	1.1
267.11136	2.8
269.09766	0.7
269.12796	17.3
270.10098	1.0
270.13229	0.6
271.10727	10.0
273.07635	0.5
273.12354	4.5
277.09695	2.5
278.10287	0.6
279.11295	6.2
280.11935	1.0
281.09354	0.7
281.12823	1.8
283.10727	6.3
284.11362	3.3
285.12256	6.5
286.13144	1.9
287.13852	13.7
289.13150	0.5
291.11331	1.3
293.09290	0.8
293.12796	1.2
294.10107	0.6
295.10739	2.2
296.11655	0.7
297.12329	8.9
299.14020	4.2
301.12372	0.5
302.12930	0.6
305.09418	0.8
307.10745	3.3
309.12411	2.1
311.13977	0.9
312.15088	1.3
313.12878	1.8
314.13043	2.6
315.13635	1.4
316.11163	0.9
316.14526	1.7
317.15054	0.6
321.12299	1.2
323.10205	7.2
325.11771	20.6
326.13068	0.6
326.16464	1.3
327.13681	3.0
327.17191	0.9
328.10776	3.3
328.14581	2.5
329.11606	0.7
329.15240	1.4
330.12363	0.7
330.15994	1.8
331.16837	1.5
334.09106	0.7
337.11972	1.4
338.12680	0.8
339.13791	1.7
340.11078	0.8
340.14716	0.8
341.11810	1.6
342.12402	6.1
342.16110	1.4
343.12979	8.0
344.13843	1.1
352.14526	0.8
353.12479	0.7
354.12256	1.2
354.16214	0.8
355.13242	1.7
355.17142	0.8
356.13873	6.2
356.17783	0.6
357.14401	19.2
357.86105	0.6
358.15417	4.9
360.17136	0.6
365.11276	1.1
366.12119	0.7
366.16266	1.0
367.13132	2.0
368.13931	0.8
369.15469	1.6
370.11572	0.9
370.15552	5.8
371.16162	1.6
372.17136	1.6
374.19043	0.7
378.18204	1.7
380.14038	0.8
382.11707	3.0
383.12518	2.5
384.13220	5.1
384.16647	0.6
385.14154	3.3
386.14798	1.8
386.19083	3.5
387.15482	0.6
388.16599	0.8
390.17957	3.5
394.15375	1.3
395.13797	0.9
397.15079	1.7
398.09729	1.1
398.14935	19.0
399.15750	28.4
400.16510	2.6
402.18597	1.2
404.15948	5.6
412.16418	2.9
413.14987	0.7
414.18222	5.4
416.15979	18.0
417.15549	5.0
422.16650	2.0
428.15875	4.5
430.17651	3.4
440.15952	7.7
441.14642	1.6
446.17010	9.7
448.18542	0.5
458.17053	30.3
459.17514	1.4
469.16211	0.8
472.18301	0.9
478.19711	2.9
487.17053	9.4
488.18225	0.9
490.19650	11.5
519.19702	1.5
520.20642	1.8
522.22278	3.5
539.26379	0.8
541.24609	0.9
551.22473	0.9
565.24243	1.4
567.25977	1.2
569.23804	3.4
575.22369	0.6
576.77527	0.5
583.25354	1.7
593.24097	5.2
611.24896	100.0
612.25287	3.2
620.21729	0.6
626.25037	3.3
643.27545	16.3
650.23541	0.8
682.25372	1.3
684.27368	1.0
729.30774	0.7
731.29675	0.6
745.30475	1.0
755.29041	1.5
756.27551	0.6
773.30151	23.8
774.30853	1.1
805.32794	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.5
57.03439	0.1
57.07048	0.2
57.43365	0.1
58.06301	0.1
58.06576	1.3
58.06855	0.1
59.07097	0.1
59.07372	1.2
60.06376	0.1
60.08154	5.5
67.05480	0.2
69.07049	0.1
70.06561	0.1
71.07365	2.7
71.08627	0.2
71.09032	0.1
76.27325	0.1
79.05474	0.1
80.97383	0.1
81.07028	0.2
83.08586	0.1
86.09692	26.8
87.10017	0.2
91.05443	0.1
93.07037	0.2
95.08581	0.1
98.98448	2.3
104.10727	3.6
105.07025	0.1
109.10152	0.2
113.23999	0.1
116.99477	0.1
119.08575	0.1
124.99986	17.0
131.08588	0.1
143.01042	0.3
163.01540	0.2
165.02962	0.1
166.02597	0.2
184.07315	100.0
185.07649	0.6
186.07771	0.1
210.08936	0.1
222.08882	1.4
224.10536	0.2
238.08463	0.2
240.10023	0.1
252.09904	0.1
282.11011	0.2
310.17911	0.1
341.12350	0.2
354.13263	0.4
366.20624	0.1
367.28220	0.1
373.11252	0.2
410.19345	0.1
478.32709	0.2
496.33679	0.2
520.19281	0.1
537.33997	0.1
550.34985	0.4
553.96759	0.1
569.33185	0.2
650.44055	0.7
700.45319	0.9
714.68640	0.1
718.46570	0.4
770.53485	0.5
779.03998	0.1
786.52765	0.1
804.53705	2.1
805.53821	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	804.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.6
57.07058	0.2
58.06599	0.6
58.21881	0.1
59.07380	0.3
60.08149	5.5
67.05487	0.3
69.07035	0.1
70.06553	0.1
70.80120	0.2
71.06969	0.2
71.07358	2.8
79.05463	0.2
81.07033	0.2
86.09686	27.3
87.10008	0.2
91.05465	0.1
93.07021	0.2
95.08572	0.2
98.98443	2.3
104.10715	2.5
105.06997	0.2
107.08569	0.2
109.01035	0.1
109.10093	0.1
116.99462	0.1
121.10148	0.1
124.99975	17.2
143.01028	0.3
166.02632	0.2
184.07297	100.0
185.07614	0.9
222.08856	0.3
273.44489	0.1
290.21109	0.1
306.14603	0.1
335.25879	0.1
362.07907	0.1
363.46667	0.1
478.32501	0.1
487.64938	0.1
496.33817	0.2
524.21906	0.1
538.78162	0.1
550.34723	0.1
607.43219	0.1
624.45837	0.2
676.45367	2.2
677.45404	0.2
689.45715	0.1
700.45691	0.3
718.46857	0.2
741.53064	0.1
754.95392	0.1
786.52551	0.7
787.53052	0.1
804.53607	4.6
805.54401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
57.07061	0.2
58.06572	1.4
59.07372	1.0
60.08152	5.7
61.72952	0.2
67.05501	1.0
69.07064	0.2
70.06573	0.2
71.04973	0.2
71.07364	2.6
75.45488	0.2
79.05484	0.5
80.29938	0.2
81.07040	0.9
83.08636	0.2
86.09691	27.6
91.05466	0.6
93.07021	0.8
95.08586	0.6
98.98453	2.5
104.10721	3.5
105.07032	0.5
107.08550	0.4
109.10133	0.4
119.08548	0.3
121.10040	0.3
124.99986	18.2
131.08557	0.3
143.01083	0.4
166.02669	0.2
177.12758	0.8
184.07307	100.0
185.07663	0.8
194.15372	0.5
222.08878	1.3
229.80136	0.2
238.08420	0.2
267.65958	0.2
282.11060	0.3
290.21140	0.2
354.13110	0.3
373.11224	0.3
550.34985	0.4
607.42712	0.2
624.45483	0.5
650.43365	0.7
693.60736	0.2
699.38623	0.2
700.45288	0.9
718.46173	0.3
770.52502	0.4
804.53735	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	11.5
57.07074	0.8
60.76840	0.7
61.02917	1.0
65.03929	2.7
67.05490	55.3
69.03416	7.1
69.07052	14.7
71.01320	0.8
71.04979	5.1
77.91251	0.6
79.05476	35.2
81.03401	75.4
81.07037	50.3
83.04964	12.7
83.08603	18.4
85.02892	2.6
85.06522	4.7
86.09693	1.3
87.04491	0.7
91.05463	50.9
91.58010	0.7
93.07023	35.6
95.04951	28.3
95.08586	20.3
97.02872	3.4
97.06511	7.1
97.10133	4.3
98.20698	1.4
99.04427	2.1
99.08060	1.9
101.05993	1.4
103.05462	1.5
105.04507	0.9
105.07009	41.9
107.04935	11.1
107.05607	1.0
107.08572	34.2
109.02868	1.0
109.06503	10.1
109.10135	48.2
111.04427	2.9
111.08057	7.9
113.06000	2.8
115.05411	1.6
116.02280	0.7
116.06182	0.6
117.06995	8.1
119.04922	1.4
119.08552	18.4
120.08920	0.7
121.06484	7.6
121.10120	10.4
123.04407	2.1
123.08033	4.9
123.11702	7.6
124.99998	0.8
125.05961	1.1
125.09631	3.4
127.07551	2.2
128.06186	2.4
129.06982	9.7
131.08545	16.5
133.06470	6.0
133.10101	56.5
134.10437	1.5
135.08008	6.0
135.11681	6.9
137.09576	4.1
139.07542	1.4
141.07031	0.7
142.07777	2.1
143.08575	4.7
145.06479	1.4
145.10091	8.8
147.08043	5.3
147.11656	11.0
149.06013	0.8
149.09570	8.6
149.13301	1.2
151.11151	26.5
155.08528	2.1
157.06436	0.7
157.10104	10.4
159.08044	2.3
159.11668	4.2
161.09601	7.2
161.13269	1.7
163.11154	5.4
165.12738	1.7
167.10803	0.7
169.10159	1.6
169.12201	3.6
171.08055	0.7
171.11632	4.2
172.12366	0.8
173.09575	1.7
173.11754	1.5
173.13257	2.1
175.11108	9.0
175.14719	0.7
177.09160	0.8
177.12753	1.6
179.10674	3.0
181.12276	0.8
183.11644	1.2
184.07329	4.3
185.13263	2.1
187.11156	1.7
189.09296	0.7
189.11192	0.8
189.12695	1.5
191.14311	1.0
193.10406	1.5
193.12181	19.4
195.11661	1.0
197.09560	0.8
199.11235	1.1
199.13107	0.8
201.12543	0.7
203.14288	0.8
205.12260	1.3
207.13824	1.0
209.11682	1.1
209.13420	1.4
211.13158	1.3
213.12749	1.3
213.16402	1.0
215.12822	1.9
217.12128	0.8
217.15901	0.7
223.13182	1.3
227.12671	5.6
227.17905	0.9
229.14188	4.4
231.13747	0.9
237.12749	0.8
244.63513	0.6
245.15297	0.8
245.18948	3.2
249.14929	1.2
253.14291	83.0
255.17458	1.4
263.20032	2.8
267.15860	67.4
273.18481	14.4
275.20053	1.4
283.15341	6.2
287.20044	7.8
291.19479	17.9
301.16376	0.8
309.17236	0.8
309.20465	1.6
313.21750	1.7
343.22638	2.0
347.22177	4.4
365.23215	29.9
371.22073	1.3
389.23019	1.9
399.23499	0.7
421.25900	3.4
429.27728	1.2
431.27155	0.8
437.25232	4.7
437.30368	1.1
445.25772	19.0
446.26498	0.7
447.28989	1.9
455.29044	0.8
457.25745	0.9
461.25217	1.8
463.26776	29.5
464.26871	0.8
465.29858	4.1
477.28253	0.9
483.30991	2.5
509.27914	0.9
521.32745	1.8
529.35455	1.2
539.33636	19.4
543.36084	0.7
557.34637	100.0
558.34985	3.0
575.35620	4.4
589.37213	1.1
599.35675	1.3
607.34357	1.3
810.28503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.6
67.05482	0.9
69.03407	2.3
70.87579	0.5
70.87913	0.8
78.70284	0.4
79.05480	1.2
80.04992	0.7
81.03405	0.9
81.07043	0.8
82.06563	0.5
82.22332	0.4
83.56232	0.4
85.02893	3.6
87.04426	0.4
89.03900	0.6
91.05480	1.0
92.04998	0.6
93.05786	0.5
93.07029	1.6
94.06544	4.0
95.04961	0.8
95.07337	1.6
96.08113	3.9
97.02882	1.4
97.06500	0.5
99.04476	0.5
106.06579	0.7
108.04467	2.4
108.08099	8.3
110.06006	0.4
110.09655	5.9
116.04981	1.4
118.06535	0.7
120.04459	3.7
120.08076	6.6
122.06008	5.9
122.09668	1.1
124.07563	5.3
127.03920	1.1
134.06007	1.9
136.07553	10.0
136.08531	0.8
138.05423	0.7
138.09122	9.1
144.04422	3.2
144.08105	0.6
146.05956	4.1
148.07550	3.7
150.09120	1.9
152.07065	1.4
160.03920	3.0
160.07568	0.5
162.05518	3.1
164.07054	1.8
166.08612	16.5
167.21274	0.5
172.03899	23.8
173.04295	0.7
174.05423	2.4
176.07031	3.1
178.04971	0.5
182.09650	0.6
183.09222	1.0
186.05524	0.7
186.09219	0.6
190.04964	17.3
196.09845	0.5
197.10759	1.6
199.08635	0.8
199.12326	1.8
204.06522	40.8
205.06895	0.7
209.10736	1.3
210.09248	1.3
211.08633	3.0
211.12260	0.8
212.09421	1.2
213.10249	1.0
221.10637	0.5
223.08627	1.0
223.12283	0.9
224.09340	0.8
225.10172	8.6
226.08742	0.7
226.11031	1.3
227.11758	12.5
235.08762	0.8
236.09444	1.6
237.10167	3.5
238.11060	1.4
239.11722	3.5
241.09836	1.3
241.13341	1.3
245.12938	1.5
249.10249	1.7
250.10968	0.9
251.08037	0.6
251.11844	2.6
252.09062	0.8
253.09709	5.5
253.13451	1.0
255.11281	1.7
263.08209	1.3
264.08875	2.6
265.09604	2.3
266.10464	1.6
267.11276	2.1
268.08426	0.8
269.09863	0.9
269.12799	16.1
271.10718	10.4
271.13702	0.5
273.12326	3.5
277.09601	2.6
278.10364	0.9
279.11264	5.1
280.12155	0.6
281.09988	0.5
281.12909	2.0
283.10724	5.7
284.11493	5.1
285.12283	5.7
286.13110	1.1
287.13852	14.6
288.14438	0.5
291.11139	0.8
292.11835	0.6
293.09180	1.2
294.09732	0.7
295.10767	2.1
296.11539	0.6
297.12271	10.0
299.13925	4.4
300.14978	0.8
301.12701	0.5
302.12695	0.5
305.09137	0.7
307.10626	3.1
309.12296	1.3
311.10419	0.8
312.14874	0.9
313.12628	1.7
314.12878	1.5
315.13684	1.2
316.11115	1.0
316.14487	2.1
321.08560	0.5
321.12271	0.7
323.10165	7.1
325.11783	19.2
326.12839	1.0
326.16620	1.5
327.13464	3.5
327.17291	1.3
328.10770	2.6
328.14362	2.0
329.15173	1.4
330.12482	0.8
330.16071	2.4
331.16641	1.3
337.11945	0.6
339.13654	1.3
340.14413	0.9
341.11871	1.3
341.15619	0.7
342.12396	5.9
342.16083	1.5
343.12903	6.9
344.13831	1.0
344.17618	0.7
352.14456	0.9
353.15445	0.6
354.12369	1.0
354.16220	1.2
355.13354	2.1
356.13953	5.1
356.17825	0.7
357.14404	23.4
358.15411	5.0
365.11414	1.0
366.15918	0.6
367.13000	0.9
368.13834	0.7
369.15268	1.1
370.11673	1.0
370.15588	5.1
371.16373	1.4
372.17249	0.8
378.17834	1.1
380.14044	0.9
382.11798	3.3
383.12473	2.8
384.13235	5.0
384.16931	0.6
385.14041	2.9
386.14050	2.4
386.19174	3.2
388.16708	0.7
390.17960	3.6
394.15305	1.0
397.15161	1.0
398.14926	19.6
399.15704	28.0
400.16418	3.3
402.18231	1.7
404.16000	7.6
412.16650	2.2
414.18063	4.4
416.15930	18.4
417.16455	1.5
422.17038	3.0
428.15927	3.6
430.17599	3.2
440.15991	8.2
446.17105	8.3
448.18710	0.6
458.17053	26.5
459.17139	1.1
460.18658	0.6
478.19815	2.7
487.17056	10.7
490.19647	10.3
505.18054	0.6
519.19727	1.3
523.23517	0.8
539.26471	0.8
541.24713	0.8
547.22980	0.6
565.24573	1.3
567.25952	1.5
569.24030	4.5
575.23022	0.6
583.25360	1.3
593.24097	4.1
608.21704	0.5
611.24890	100.0
612.25122	5.4
625.26764	0.6
643.27539	24.3
644.27753	1.5
737.27509	0.6
745.30261	1.2
755.28979	0.8
773.30060	33.0
774.29944	1.5
805.33130	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	803.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	23.5
57.07066	2.7
61.02900	4.2
65.03925	4.1
65.30334	1.3
67.05492	80.8
68.05808	2.3
69.03403	5.6
69.07059	17.1
69.39271	7.2
69.39698	6.6
71.04969	4.5
77.03885	2.0
79.05476	51.0
80.05788	1.6
81.03402	9.8
81.06566	3.1
81.07040	58.9
83.04974	7.0
83.08592	10.0
85.02878	5.2
85.06540	12.9
86.09681	4.6
87.04439	1.6
87.59061	1.5
88.59059	1.6
89.97252	1.5
91.03944	1.9
91.05465	57.8
93.07027	58.1
94.07339	2.5
95.04953	55.3
95.08589	38.9
95.09057	0.9
96.08937	1.5
97.02884	5.6
97.06512	13.2
97.10160	1.8
99.04450	2.2
99.08089	2.7
103.05430	2.3
105.07006	61.0
107.04939	21.7
107.08571	33.2
107.84409	1.6
109.02843	2.9
109.06496	59.0
109.07243	3.2
109.10133	13.8
110.10443	2.0
111.08049	3.6
113.05981	34.7
115.05407	2.8
117.06995	26.3
119.08554	37.0
119.48266	1.3
121.06457	7.8
121.10127	17.8
123.04437	1.4
123.08027	10.4
123.11711	2.8
124.99961	2.0
125.09594	2.0
128.06203	4.1
129.06979	19.6
131.08545	35.7
133.06445	4.1
133.10104	26.9
135.08020	40.9
135.11624	13.8
137.09584	4.3
141.06985	5.4
142.07716	2.4
143.08530	21.9
145.06453	5.0
145.10100	28.1
147.08047	8.6
147.11650	16.1
149.09616	6.7
149.13216	4.7
151.11168	1.7
155.08507	6.7
156.09023	1.9
157.10081	16.7
159.08041	3.6
159.11662	22.0
161.09616	9.2
161.13205	13.1
163.11143	6.4
163.14844	2.0
165.09128	2.5
165.12762	1.9
169.10083	8.9
171.11650	13.7
173.09503	2.7
173.13261	10.3
175.11229	3.8
175.14803	7.5
177.12741	5.3
181.10097	4.4
183.11638	5.1
184.07280	12.0
185.09610	1.7
185.13188	7.6
187.11095	4.4
187.14792	5.7
189.12614	1.8
189.16405	1.4
191.14268	1.9
193.10194	2.5
195.11688	2.8
195.13707	1.8
197.13237	4.5
199.11250	2.2
199.14813	6.0
201.12672	2.3
201.16342	2.2
205.12228	2.0
207.11571	1.6
207.13651	1.8
211.14836	3.6
213.16296	2.5
215.14258	2.2
215.17918	1.7
217.15843	13.5
221.15169	1.5
227.17941	2.9
237.16107	2.4
239.17889	2.1
241.14272	2.4
241.19464	9.8
245.19151	2.0
255.17326	3.2
257.18942	2.9
259.20526	17.1
271.16867	1.4
273.18451	23.5
275.20029	5.5
279.15790	17.1
291.19485	62.9
293.21152	2.0
297.16867	1.7
309.96915	1.7
315.23135	6.8
321.14465	1.5
327.23132	1.9
327.26797	4.3
333.24149	32.8
334.24393	1.5
335.25751	1.7
347.21976	6.0
349.23715	5.2
365.23074	16.4
513.36615	4.2
531.37848	4.0
543.36511	5.8
549.39246	4.0
565.38715	3.6
595.43738	1.6
605.41919	17.4
623.42957	100.0
624.43451	6.9
641.44037	26.2
642.42920	1.8
785.47516	1.6
803.48779	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	7.2
57.07041	0.5
61.02908	0.6
64.02922	0.4
65.03886	0.6
67.05492	20.4
68.05759	0.4
69.03419	5.7
69.07060	17.5
70.72005	0.4
70.72353	1.3
71.04991	2.2
73.02907	0.4
77.03905	0.4
79.05481	19.6
80.05811	0.5
81.03407	48.6
81.07047	21.6
83.04970	5.2
83.08606	14.7
85.02869	1.0
85.06544	0.9
86.09667	1.2
91.05470	19.3
93.06473	0.9
93.07030	16.0
95.01286	0.6
95.04953	18.8
95.08042	0.6
95.08594	9.6
97.02882	7.5
97.06519	3.2
97.10150	8.5
99.08044	0.7
103.05434	0.9
105.07018	15.1
107.04943	7.3
107.08578	12.3
109.02831	0.7
109.06518	3.0
109.10144	8.5
111.04383	1.3
111.08068	4.6
115.05405	1.5
117.07000	4.8
119.04910	1.5
119.08566	14.7
121.06472	4.5
121.10122	6.9
123.04395	1.0
123.08051	3.1
123.11682	1.4
125.09630	7.1
128.06186	0.9
129.05531	0.5
129.06972	6.0
131.08556	9.1
133.06485	3.8
133.10110	9.3
135.08017	3.0
135.11685	2.6
136.51546	0.5
137.05899	0.5
137.09636	2.2
142.07704	1.7
143.08568	3.1
145.06487	1.0
145.10104	5.0
147.08025	5.0
147.11659	6.5
149.02216	0.6
149.09605	4.2
149.13199	0.8
151.07396	0.5
151.11166	2.4
153.09048	0.9
157.10120	7.2
159.08006	0.9
159.11598	2.5
160.28366	0.5
161.09633	2.6
161.13257	0.9
163.11153	2.9
165.09052	0.9
165.12694	1.1
168.95233	0.7
169.10083	0.8
169.12169	0.6
171.11633	1.9
173.09619	1.1
173.13191	0.8
175.11188	6.3
177.12663	1.3
184.07317	2.8
185.09554	0.5
185.13257	0.6
189.11263	3.1
189.12737	0.7
191.10681	0.5
193.04880	0.6
193.12221	11.7
195.11652	0.6
195.13799	0.7
203.14412	0.6
205.12189	2.2
207.13687	0.6
209.11595	0.7
211.13297	1.2
212.36295	0.4
213.12787	0.5
219.13824	2.8
223.11108	0.8
223.13264	13.5
227.12743	6.0
229.14194	0.7
245.18967	0.9
249.14851	2.7
253.14374	3.6
267.15878	63.3
268.16299	0.7
273.15298	0.9
273.18439	8.2
275.20010	0.7
283.15308	1.1
291.19507	51.9
292.19919	1.6
309.17020	0.6
313.21671	1.8
315.19431	0.7
323.81885	0.5
347.22192	1.9
365.23181	35.7
366.23428	1.0
385.23688	1.4
389.23196	0.9
403.24863	0.6
421.25177	0.6
437.25186	1.1
445.25668	4.3
447.28818	0.5
459.27350	4.8
463.26874	1.9
465.30188	1.1
477.28329	4.3
483.31046	1.0
527.37091	0.7
529.35370	0.7
539.33624	7.7
557.34656	100.0
558.34882	4.0
575.35327	1.4
589.37238	0.7
599.35657	0.8
665.36566	0.9
683.37518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	16.4
57.07068	4.9
59.04995	2.0
61.02909	4.6
65.03929	7.0
67.05495	100.0
68.05824	3.5
69.03419	25.0
69.07057	45.0
71.04996	12.5
71.05334	2.2
71.08630	3.9
71.62711	1.8
71.63168	2.5
73.02912	5.5
79.05482	78.4
81.03408	41.0
81.07046	100.0
82.07373	3.4
83.04970	21.2
83.08604	22.2
85.02907	13.0
85.06558	4.2
86.09692	8.8
91.05468	78.0
92.05798	2.7
93.07031	75.1
94.07339	2.3
95.01328	2.3
95.04951	22.5
95.08592	60.5
97.02879	16.9
97.06519	38.2
97.10149	14.5
99.04445	7.3
99.08080	5.7
101.02370	2.4
103.05473	2.9
105.07015	79.0
107.04943	24.9
107.08578	54.6
109.02875	9.6
109.06519	16.0
109.10148	39.8
111.04424	4.5
111.08064	8.3
113.09638	2.3
113.18555	1.7
115.05439	4.5
117.07006	29.8
119.04929	1.9
119.08562	50.5
121.06502	8.2
121.10126	30.4
123.04443	2.3
123.08062	13.0
123.11707	7.1
125.00002	6.1
125.09591	11.9
127.03895	10.3
128.06213	5.1
129.05464	4.2
129.06992	18.7
130.07822	3.3
131.08562	39.1
133.06499	2.6
133.10112	46.8
133.11066	3.5
135.08037	13.2
135.11687	15.7
137.09601	8.1
137.13216	1.8
139.11179	3.8
141.06993	8.6
141.31746	2.0
142.07748	4.1
143.08537	17.9
145.06464	5.0
145.10101	37.2
147.08012	6.4
147.10588	3.4
147.11667	24.8
149.09584	23.9
149.13223	9.9
151.11179	8.4
153.09038	2.1
154.07767	2.7
155.08543	10.2
157.10086	18.4
159.08015	4.7
159.11679	25.7
160.11162	3.2
161.09613	7.3
161.13229	11.5
163.11188	12.3
163.14851	2.7
165.09129	3.4
165.12798	4.5
167.08569	4.9
169.10106	11.0
171.08043	2.3
171.10329	3.3
171.11673	16.2
173.04417	8.8
173.09584	4.1
173.11751	4.4
173.13287	13.7
175.11186	6.7
175.14893	3.6
177.09135	2.3
177.12741	5.5
179.08572	2.0
179.14328	4.8
181.10127	7.3
183.11670	12.6
184.07300	20.2
184.12312	1.9
185.07669	1.8
185.13251	9.5
187.11176	4.9
187.14835	7.5
189.11206	4.6
189.12796	2.4
189.16335	2.7
193.10199	2.5
195.11725	5.1
195.13647	2.4
197.11626	1.8
197.13271	8.6
199.14854	6.6
201.12737	4.2
203.14362	2.1
205.10179	2.4
207.11696	3.0
209.13239	5.1
211.14832	2.8
213.12842	2.2
213.16365	2.7
215.14372	3.1
215.17877	2.7
217.15834	2.4
219.11740	2.2
219.17464	2.2
220.17073	2.4
225.12627	2.1
225.16293	2.2
227.12704	11.8
229.14241	11.6
229.19484	6.0
239.17986	6.2
241.19569	2.7
247.20447	4.1
257.19009	14.7
258.08841	3.1
258.19235	2.2
261.18533	2.3
267.15897	2.7
269.17490	5.5
273.18472	6.4
275.20016	72.8
277.21570	3.5
287.20187	2.5
291.19574	3.4
293.21011	7.7
299.19949	2.1
327.23260	2.3
331.22626	4.9
335.25928	3.6
347.22083	2.5
349.23682	53.0
367.25009	4.1
373.18683	2.5
373.59567	2.0
377.28647	2.1
383.21884	2.5
395.29388	4.8
445.29922	2.8
451.31876	2.7
477.46387	2.2
503.33548	8.3
521.33948	2.3
527.37146	6.3
529.35016	7.0
531.37518	2.5
543.36816	30.3
545.37305	2.1
561.37622	3.1
567.39606	1.9
595.43774	4.1
605.42041	8.9
621.41498	1.9
623.42926	54.4
624.43768	2.7
641.43939	27.4
669.41229	2.2
687.40613	5.1
767.47284	3.5
773.29852	1.8
785.47461	9.3
803.48938	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	803.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
58.51433	0.4
61.02910	0.9
65.63295	0.4
67.05496	3.6
69.03422	4.1
69.07048	0.9
71.04987	0.6
79.05473	2.9
80.05017	0.7
81.03400	4.1
81.05717	0.4
81.07039	3.2
82.06583	0.4
83.04967	0.9
83.08588	0.5
85.02885	4.5
85.06553	0.5
91.05477	2.8
93.05772	0.5
93.07035	4.4
94.06557	3.4
95.04947	1.8
95.07333	1.2
95.08599	1.5
96.08115	4.1
97.02900	2.4
97.06490	1.1
97.10130	0.5
98.20695	0.9
99.04451	0.4
103.05486	0.8
105.06982	2.1
106.06527	0.5
107.04935	0.8
107.08533	2.2
108.04438	0.6
108.08105	5.6
108.08783	0.7
109.02823	2.1
109.10138	1.1
110.09663	6.3
111.04458	0.5
111.08084	0.5
117.07040	0.5
119.08580	1.9
120.04440	0.5
120.08082	6.3
121.06513	0.7
121.10106	1.2
122.06007	6.3
122.09647	0.5
123.04408	0.7
124.07595	0.8
125.09665	0.5
127.03887	1.2
131.08548	1.0
133.10126	1.1
135.08044	0.5
136.07553	6.3
138.05493	0.5
138.09111	7.9
139.03917	0.9
143.08562	0.5
145.10147	1.2
147.04381	2.2
147.08102	0.5
147.11673	1.1
148.07524	2.3
149.09659	0.5
149.13205	0.5
150.09122	1.2
151.03806	0.5
153.01820	0.8
159.11681	0.6
163.03896	0.6
163.11224	0.8
166.08621	9.2
169.04977	0.6
172.07588	0.7
175.14728	0.5
177.05452	0.6
184.07437	0.8
193.12230	1.0
195.02809	0.6
211.08583	2.1
211.13304	0.8
220.09894	0.5
221.10701	2.0
235.08673	1.3
236.09332	0.6
237.10216	1.4
239.08342	0.4
247.08719	1.5
248.09363	1.0
249.10208	12.1
250.10895	1.0
251.11739	1.1
253.09682	0.5
261.10211	1.7
262.11026	0.5
263.11844	1.7
265.09604	1.3
267.15857	0.7
269.17383	0.7
269.44162	0.5
275.08087	0.9
277.09686	7.6
277.12524	0.7
278.10397	1.1
279.11273	0.4
281.09338	0.6
285.12924	0.5
289.09805	0.6
291.11426	1.1
293.09155	1.3
295.10767	1.2
303.07813	0.5
307.10739	0.6
309.12332	5.4
310.13144	1.0
311.10474	0.5
314.12933	1.0
321.08813	0.7
321.13181	0.5
322.13376	1.5
323.10562	0.6
323.14227	1.0
324.11984	0.9
325.12656	0.9
326.13025	1.7
327.13885	1.7
328.14444	1.2
330.15955	0.7
335.09952	0.6
336.14975	1.3
337.15848	1.0
338.13022	1.0
338.16556	1.6
339.14111	1.6
340.10776	1.8
340.14514	2.7
341.11639	1.2
341.15466	1.1
342.12405	1.4
342.16171	1.3
343.13129	0.9
349.11877	1.0
350.12881	1.2
351.13791	1.0
352.14505	1.7
353.11929	1.3
354.12433	5.1
354.16028	1.0
355.13098	3.4
355.17007	0.6
356.13885	4.3
356.17673	1.0
358.15430	0.6
364.14444	4.4
365.15112	1.4
366.12363	1.0
366.16327	3.1
367.13086	3.0
368.10172	1.3
368.14041	8.9
369.14673	4.9
370.11353	0.6
370.15634	2.0
371.16449	0.7
372.17123	0.6
377.11392	0.5
379.12878	1.1
380.14178	2.0
382.11694	4.6
382.15585	5.9
383.12003	0.7
383.16623	2.2
384.17175	6.1
385.13889	0.7
386.15042	0.8
387.14944	0.5
392.13892	2.8
394.15671	1.7
395.12772	1.4
396.13309	6.3
397.14130	3.2
398.14365	0.9
398.18750	8.8
400.16504	1.5
408.13760	0.8
410.14926	5.7
412.16534	7.2
413.13367	0.6
414.14499	1.9
415.14899	2.2
416.16077	1.3
420.13351	1.1
424.16843	0.5
426.13681	3.8
428.16092	5.3
429.16733	1.1
430.17538	0.9
438.14389	24.0
439.14853	1.4
441.13385	0.7
442.17862	3.0
444.19678	4.8
446.17056	0.5
452.16034	1.2
456.15497	31.9
457.15485	2.3
458.17053	6.6
461.29175	1.5
470.17087	2.1
476.18091	28.3
477.18536	1.7
479.30264	1.2
488.18115	17.6
489.18552	0.8
519.24207	0.7
563.22845	1.5
581.24445	0.6
591.22363	4.5
595.25531	2.3
609.23334	20.0
610.24023	1.6
613.26471	0.8
614.10876	0.5
623.24878	17.6
623.34082	1.3
624.25043	1.1
641.25958	100.0
642.26257	5.5
771.28558	1.9
803.30920	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	803.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	4.0
61.02906	4.0
64.76308	0.9
65.03913	1.4
67.05478	3.3
69.03419	16.1
69.07080	1.4
69.47052	8.3
71.04977	1.8
73.02904	5.1
79.05473	2.8
80.04982	2.2
81.03410	7.4
81.07024	2.0
85.02892	15.7
87.04422	2.0
91.05458	2.3
93.05785	4.8
93.07011	2.0
94.06554	17.9
95.04955	2.0
95.08571	1.7
95.67807	1.1
96.08103	2.6
96.34317	1.0
97.02864	8.7
98.21439	2.3
99.04436	2.7
101.02348	1.5
103.05435	1.0
104.19540	1.1
105.07004	2.4
106.06531	2.5
107.07320	1.1
107.08582	1.4
108.08099	41.5
109.02834	3.2
110.09669	2.7
115.05420	1.0
116.04965	2.8
118.06542	1.6
118.51773	0.9
118.82204	1.0
119.08511	1.4
120.04459	3.1
120.08085	6.9
121.06461	1.0
121.10119	1.1
122.06006	25.9
123.04404	2.0
127.03911	3.1
132.08136	1.2
134.06003	5.2
136.07552	83.2
137.07869	1.7
137.09572	1.8
138.09097	5.3
139.03842	2.2
144.04427	4.9
144.08017	1.2
146.05988	8.7
147.04362	2.3
148.07564	7.0
150.05476	3.0
150.09068	1.1
152.06992	2.2
158.06055	1.2
160.03917	2.8
162.05476	4.8
163.11122	2.2
164.07039	12.9
165.05463	7.7
165.09171	1.2
166.08652	4.1
167.07118	3.1
170.06062	1.0
171.02873	1.2
172.03915	20.4
172.07550	2.0
173.04613	1.2
174.05473	3.5
176.07042	3.9
180.08228	1.0
182.08318	2.0
182.09735	1.9
183.09128	2.5
184.09882	1.8
185.36662	0.9
186.05486	3.1
188.03371	1.7
190.04951	14.6
191.05687	2.2
191.07266	1.2
196.09941	2.5
197.07025	1.4
197.10707	5.5
198.11555	1.1
199.08696	1.2
199.12260	4.6
204.04654	2.2
204.06526	31.1
207.06471	1.0
207.09233	1.6
209.10661	4.7
210.07524	1.5
210.09143	3.9
210.11436	1.7
211.08655	5.1
211.12292	3.3
212.09488	4.4
213.10129	1.8
213.13644	1.1
220.09941	1.8
221.06982	1.1
221.10692	3.3
222.07646	1.2
222.11455	1.7
223.08673	3.5
223.12323	3.0
223.97505	1.0
224.09430	3.9
225.10178	20.0
226.10805	2.3
227.11739	27.3
235.08646	2.4
236.09349	6.1
237.10204	6.1
238.11015	2.8
239.11783	9.9
240.08861	1.0
240.12511	1.5
241.09599	5.6
241.13324	3.3
247.08617	1.6
248.09375	1.6
249.06441	1.4
249.10191	11.9
250.07475	1.3
250.10941	3.0
251.07997	2.4
251.11719	10.5
252.08871	2.7
253.09680	14.9
253.13483	1.1
255.11215	5.0
261.10223	1.7
262.07452	1.2
262.10779	1.3
263.08044	4.6
263.11691	3.0
264.08908	6.5
265.09647	9.2
266.10461	4.4
267.11261	16.1
269.12793	28.1
271.10712	24.4
275.11566	0.9
277.09668	11.8
278.10379	6.0
279.08197	1.1
279.11215	18.1
280.08554	2.0
280.11868	2.9
281.09430	1.3
281.12817	4.6
283.10757	10.3
284.11539	5.1
285.12277	5.5
287.13870	26.0
291.07620	1.7
291.11160	3.3
292.08331	4.1
293.09143	6.0
293.12521	1.9
294.09921	3.4
295.10672	12.6
296.11230	1.7
297.12268	13.1
299.13928	2.2
300.11469	1.3
305.09216	5.0
307.10687	22.8
309.12091	6.2
311.10602	1.1
313.11877	4.5
314.12875	2.9
315.14154	1.1
316.14514	1.6
317.09854	2.0
321.12271	1.9
323.10199	28.7
323.13950	1.9
324.10913	2.5
325.11847	9.0
326.12836	2.2
327.13474	8.9
328.10748	2.8
328.14462	3.8
329.11572	1.8
330.12430	2.3
330.16122	2.3
331.16779	1.5
336.10507	1.1
337.11795	3.2
339.09811	1.6
339.13419	9.5
340.10757	2.0
340.14447	4.0
341.11249	26.4
342.12225	6.9
342.16052	2.3
343.13065	3.1
344.13702	2.2
352.14447	1.4
353.12000	1.2
354.12299	3.4
354.16174	2.2
355.12823	30.0
356.13828	6.9
357.14523	2.3
358.15475	3.5
366.12045	1.3
367.13373	2.3
368.13852	6.4
368.17905	2.0
369.14478	3.6
370.11319	1.8
370.15518	6.2
374.14621	1.2
380.13983	1.9
382.11240	2.4
382.15976	4.6
383.12299	1.7
384.13113	2.8
384.17029	4.3
385.13760	1.5
386.14639	3.3
386.18829	1.8
390.18054	2.8
394.15271	2.2
396.12842	5.5
397.14188	1.7
398.14606	11.5
398.19284	1.8
399.15741	10.1
400.16422	3.4
402.14032	1.6
404.15982	4.0
410.14926	4.0
412.16476	9.2
414.18002	4.6
415.18842	1.2
416.15842	13.4
417.16245	3.1
422.16888	1.6
428.15656	5.5
430.17575	4.7
432.15378	2.6
433.16367	1.4
435.17972	1.4
438.14563	7.0
440.15945	5.5
444.19150	3.8
446.17090	5.4
456.15530	11.6
457.15790	1.4
458.17026	9.2
459.17355	3.2
460.18417	2.3
470.16946	4.9
474.16495	1.3
475.17361	1.6
476.18060	11.7
477.18875	1.4
478.19553	2.9
479.15417	3.9
485.15341	8.1
487.17389	2.0
488.17996	14.2
489.18524	4.4
490.18976	1.1
503.16406	20.4
517.18048	26.0
518.18500	1.6
521.21777	1.6
539.22662	2.7
547.23059	1.7
549.20898	1.7
551.22839	1.6
563.22583	2.1
565.24365	5.6
567.22327	4.4
575.22803	3.2
581.23608	2.7
591.22565	5.9
593.23859	31.0
594.24310	2.9
609.23315	94.2
610.23419	6.2
623.24823	6.2
625.26544	7.4
632.22211	1.7
641.25897	56.7
642.25922	2.9
649.22400	3.8
650.12488	1.4
650.23346	28.1
651.23450	2.0
743.29175	1.3
771.28516	100.0
772.28918	7.1
803.30420	14.2
804.30975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	10.5
57.07063	2.4
58.05751	1.3
61.02915	2.8
62.06068	1.7
63.70432	1.4
65.03922	4.4
66.01727	1.2
67.05491	46.2
69.03390	2.9
69.07058	13.4
69.45096	12.5
71.04980	3.4
74.98805	1.3
79.05476	34.1
81.03404	52.2
81.07042	46.3
82.60712	1.2
83.04963	5.5
83.08597	16.4
85.02865	3.6
85.06510	2.4
86.09676	8.7
91.05462	24.0
93.07023	37.4
95.04960	18.8
95.08589	29.9
97.02850	4.4
97.06514	5.7
97.10149	4.0
98.98451	1.5
99.08075	1.6
105.07012	25.1
107.04919	4.2
107.08575	21.8
109.06487	4.9
109.10133	15.2
111.04432	2.7
111.08064	6.0
116.55818	1.4
117.06979	7.7
119.08561	19.7
121.06499	4.2
121.10130	18.3
123.08047	3.9
123.11704	6.0
124.99986	5.4
125.09635	3.9
129.06963	7.9
131.08548	15.2
133.06483	2.4
133.10118	12.2
135.08069	2.3
135.11674	13.4
137.09584	3.4
137.13226	2.0
141.06979	1.5
143.08525	2.5
145.10100	7.7
147.08054	3.1
147.11670	11.2
149.09601	5.1
149.13228	5.9
151.11113	1.4
157.10062	8.9
159.11688	4.7
160.11136	2.2
161.09706	1.4
161.13248	6.3
163.11142	3.1
163.14824	2.4
165.12762	2.0
173.13246	5.8
175.11177	5.5
175.14668	1.6
177.12755	2.1
179.14340	2.3
184.07303	27.2
185.03488	1.4
187.14775	2.8
189.11172	2.3
189.12700	1.6
193.12209	17.0
194.25636	1.4
197.13109	1.5
205.15820	1.7
211.13211	1.8
219.17422	2.1
227.12643	7.0
243.15680	1.8
243.21075	5.3
249.14964	1.9
258.08884	1.8
261.22067	20.5
267.15866	100.0
268.16214	2.5
273.18475	1.5
275.19968	1.6
277.21375	2.0
279.23093	1.7
299.23691	1.6
301.25256	3.8
317.24783	4.4
333.24188	1.8
335.25745	83.6
336.25894	3.7
360.82748	1.3
421.25867	2.1
435.27237	3.2
435.32584	3.3
453.33688	7.9
471.34726	2.8
489.35449	1.6
527.37256	66.4
528.37781	2.8
545.38257	57.7
546.38245	2.3
559.39740	1.9
569.38239	2.1
590.43732	2.7
623.42664	1.6
802.52222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03181	1.3
57.03434	14.0
57.06770	1.1
57.07053	2.4
59.04992	2.4
61.02898	1.8
65.03928	4.1
67.05497	100.0
68.05824	1.4
69.03407	6.8
69.07058	21.4
69.60043	8.0
71.04990	6.3
71.08611	1.1
72.18426	1.0
73.02909	1.6
73.06545	1.8
76.22823	1.1
77.03906	1.7
79.05484	78.4
80.05829	1.8
81.03410	23.4
81.07050	62.4
83.04969	17.4
83.08610	17.8
85.02904	9.5
85.06535	4.9
85.70155	1.0
86.09700	6.6
87.04434	2.7
91.05470	60.4
92.05773	1.1
93.07031	69.8
94.07371	2.2
95.04952	23.7
95.08595	36.7
97.02888	6.1
97.06514	10.5
97.10149	13.2
98.21524	1.9
99.04475	2.0
99.08078	1.7
103.05466	1.1
105.04489	1.7
105.07018	42.4
106.07362	1.1
107.04943	10.8
107.08578	28.4
109.02862	1.8
109.06514	10.2
109.10141	55.2
110.10457	1.5
111.04420	2.9
111.08042	5.5
115.05473	1.6
117.06998	14.5
119.08570	30.6
119.93215	1.1
121.06461	5.5
121.10125	10.9
123.04432	1.3
123.08057	6.8
123.11727	2.4
124.99982	4.5
125.09621	9.0
127.03907	1.7
127.07578	1.8
128.06183	2.5
129.05455	3.4
129.06989	16.5
130.07584	1.0
131.08548	10.0
133.06522	1.9
133.10106	19.0
135.08038	2.9
135.11682	7.7
137.09616	4.1
139.07571	1.1
142.07716	1.3
143.08539	8.5
145.06537	1.2
145.10112	14.9
147.08035	4.4
147.11671	38.9
149.09584	4.0
149.13223	1.3
151.11201	2.6
153.09070	1.4
153.12730	1.7
155.08565	1.5
155.10648	2.3
157.08722	1.0
157.10156	3.4
159.11687	2.9
161.09636	4.6
161.13219	13.2
163.11148	9.9
169.10126	1.6
171.10223	2.2
171.11670	27.2
172.12057	1.3
173.04465	2.2
173.09566	2.2
173.11716	11.8
173.13150	2.3
175.11116	1.7
177.12689	1.3
179.14394	1.9
181.12198	2.1
184.07307	17.4
189.11131	1.3
189.12656	10.5
191.10649	4.4
193.12247	2.2
199.13255	4.3
207.13776	28.0
209.11714	4.7
211.13277	2.1
223.13335	1.9
225.14777	1.9
227.12775	12.9
229.14305	38.8
257.19012	1.4
265.14328	3.2
267.15848	6.8
273.18573	2.2
275.20087	3.2
281.17444	66.9
282.17764	2.5
283.15375	7.4
293.20880	1.5
297.17142	1.4
301.16498	7.2
335.18594	1.6
349.23697	3.4
367.24744	1.3
399.23819	14.1
405.26434	3.1
423.27182	2.7
435.27380	92.3
436.27780	5.8
453.03036	1.1
471.27371	2.7
473.28995	6.3
489.28638	5.8
490.28577	1.3
503.33054	1.8
507.29364	14.1
525.30426	5.4
571.36298	1.3
605.36719	47.5
606.36884	4.0
609.44580	2.0
622.41974	1.3
640.43231	1.6
643.45007	1.9
802.47607	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	9.7
58.92241	0.6
59.04994	0.8
61.02903	1.1
65.03922	2.0
67.05492	22.0
68.31602	0.6
69.03069	1.4
69.03414	18.7
69.07056	5.1
70.18905	3.2
71.01342	0.9
71.04974	7.4
73.02902	1.8
79.05476	22.2
81.03403	100.0
81.07040	27.7
83.01324	0.9
83.04967	18.8
83.08125	1.4
83.08604	19.4
84.08894	0.7
85.02892	20.9
85.06528	1.6
91.03945	0.8
91.05465	29.6
91.27959	0.6
93.07027	18.8
95.04954	27.0
95.08587	9.6
97.02874	20.3
97.06512	7.6
97.10143	5.7
99.04442	6.4
99.08041	1.5
101.02364	1.2
103.05418	0.8
105.07016	20.8
107.04926	8.5
107.08579	10.3
109.02856	17.9
109.03581	1.2
109.06492	6.1
109.07054	0.6
109.10130	5.1
111.04419	12.0
111.08065	10.7
113.06017	1.9
115.05437	1.8
117.06977	4.5
117.56553	0.8
119.04949	1.8
119.08556	18.4
121.02860	1.0
121.06480	4.1
121.10117	10.9
123.04421	3.4
123.08068	2.4
123.11694	3.0
125.05978	0.9
125.09599	4.3
127.03885	16.5
128.06194	1.5
129.05484	3.4
129.06973	9.8
131.04956	2.0
131.08543	12.2
133.06459	4.9
133.10104	9.5
135.04420	1.5
135.08063	2.3
135.11688	2.5
137.05988	2.0
137.09634	2.9
137.13170	0.6
139.03912	2.0
141.06953	1.7
142.07774	1.3
143.08556	1.5
145.04913	1.7
145.06454	2.1
145.10114	4.6
147.04369	3.4
147.08028	4.9
147.11665	20.0
147.12769	1.3
149.05963	1.6
149.09573	6.4
151.03929	1.8
151.07545	1.0
153.01788	0.8
153.09023	0.9
153.12778	1.8
155.08539	1.5
157.06474	1.9
157.10098	15.3
159.08028	1.8
159.11702	0.8
161.05984	1.8
161.09627	1.8
163.03893	1.4
163.07608	1.2
163.11122	5.8
165.05450	1.6
165.09167	1.4
165.12697	4.9
167.08636	0.9
169.10167	0.7
171.07997	1.1
171.11705	1.1
173.04442	7.5
173.05827	1.2
173.09653	1.7
175.07588	0.8
175.11156	17.0
177.05556	0.8
177.12714	0.7
181.10107	0.9
181.12273	2.6
183.06506	1.0
183.11635	0.7
184.28247	0.6
185.09691	0.7
185.13329	1.1
187.07468	0.8
187.11191	0.8
189.05414	1.4
189.11179	1.7
189.12689	1.1
191.10626	3.0
193.12204	42.7
194.12599	1.4
195.13805	1.4
197.13306	0.9
199.11121	0.9
207.13742	1.0
211.13240	46.4
213.12730	1.1
227.12555	4.1
229.14285	4.7
231.13802	1.4
233.15349	0.8
235.13342	0.9
245.15421	0.8
247.13316	0.9
249.14877	3.0
253.07155	0.9
255.13860	1.1
259.13168	1.1
267.15863	26.2
273.14880	3.5
277.14346	1.7
283.15530	1.2
285.16922	20.4
289.09201	0.8
291.15811	1.1
295.15372	1.0
301.14185	5.5
309.16986	1.6
313.16534	0.9
319.15356	3.1
329.17957	0.7
337.16412	3.4
355.17422	7.1
357.24512	0.8
359.88745	0.9
367.22726	2.1
368.84540	0.8
375.18094	1.9
385.23801	2.6
393.18793	3.3
403.24957	2.1
411.20108	8.2
429.21167	14.3
431.27997	1.0
433.25653	0.9
449.28812	0.9
459.27295	18.0
460.27490	0.8
477.28372	22.8
478.28854	1.0
483.26910	0.9
495.29477	13.4
501.28421	1.3
511.28177	0.9
519.29535	2.0
543.29443	1.5
561.30524	1.6
567.29761	2.0
573.30627	1.8
585.30499	6.6
603.31366	9.3
621.32544	17.9
639.33655	30.9
640.34113	1.8
765.36743	2.2
783.37744	9.4
801.25372	1.3
801.39014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.5
56.87079	0.2
58.06606	0.4
60.08155	6.0
61.08465	0.2
67.05495	0.3
69.07057	0.2
71.07020	0.2
71.07369	2.6
71.63419	0.3
73.26912	0.2
74.09733	0.2
79.05498	0.4
81.07060	0.9
86.09692	29.5
87.10036	0.5
91.05456	0.4
93.07022	0.6
95.08575	0.7
97.06449	0.2
98.98447	2.5
104.10735	1.8
105.07010	0.4
107.08572	0.5
109.10146	0.3
119.08603	0.3
121.10137	0.2
124.99986	19.2
127.55106	0.2
133.10115	0.4
135.11714	0.2
143.01035	0.2
145.10107	0.2
147.11638	0.2
154.24179	0.2
158.11028	0.2
166.02612	0.3
166.68167	0.2
182.21892	0.2
184.07312	100.0
185.07687	1.5
601.44238	0.2
626.44177	0.6
780.55170	5.9
781.55530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.7
57.07059	0.1
58.06628	0.4
59.07388	0.2
60.08151	6.2
67.05495	0.4
70.06565	0.1
70.80711	0.2
71.07361	3.4
77.70857	0.1
79.05466	0.3
81.07038	0.6
81.72175	0.1
83.17802	0.1
86.09689	29.2
87.10013	0.6
91.05453	0.2
93.07021	0.3
95.08594	0.3
98.98443	3.1
101.04971	0.1
104.10717	2.5
105.07024	0.3
107.08596	0.2
109.10126	0.3
119.08551	0.2
121.10134	0.2
124.99979	20.1
126.00370	0.1
133.10117	0.1
135.11665	0.1
143.01009	0.4
166.02670	0.2
184.07303	100.0
185.07651	2.6
186.07768	0.4
248.68700	0.1
282.22141	0.1
323.90067	0.1
516.30560	0.2
778.53638	4.7
779.54254	0.7
796.53650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	11.2
61.02922	4.1
65.03940	4.1
67.05498	48.7
69.03064	2.3
69.03421	34.5
69.07060	12.7
70.20538	6.2
71.01335	1.3
71.04984	12.2
73.02906	3.5
76.32153	1.1
77.03925	1.3
79.05485	61.6
81.03408	100.0
81.07047	47.6
83.01356	1.3
83.04976	25.0
83.08615	18.8
85.02895	23.8
85.06540	3.9
86.09705	2.2
87.04481	1.6
91.05471	63.6
93.07034	56.4
95.01317	1.2
95.04961	33.1
95.05550	2.2
95.08599	25.9
97.02882	28.1
97.06522	8.4
97.10146	7.6
99.04459	11.0
99.08084	2.2
101.02363	2.0
103.05441	2.9
105.04517	2.0
105.07020	44.0
107.04949	15.5
107.08578	19.9
107.47583	1.1
109.02872	18.6
109.06491	9.9
109.10136	6.8
111.04426	11.7
111.08084	8.5
113.05977	1.4
115.05437	5.7
116.06254	1.5
117.06995	15.6
117.23640	1.1
119.04929	3.1
119.08572	32.7
121.06504	8.3
121.10131	13.7
123.04416	10.3
123.08046	5.7
123.11697	3.0
125.05939	1.1
125.09648	4.8
127.03907	19.2
127.07546	1.9
128.06203	4.5
129.05527	5.5
129.06992	26.5
130.07764	1.1
131.04924	2.9
131.08557	20.4
133.06485	9.6
133.10103	16.5
135.04395	4.0
135.08031	4.0
135.11690	6.0
137.02393	1.3
137.06018	1.8
137.09613	3.1
139.03886	7.6
141.06984	3.3
142.07785	2.8
143.08557	13.1
145.04953	2.5
145.06474	8.3
145.10098	16.6
147.04393	4.5
147.06903	1.1
147.08046	5.5
147.11668	33.3
147.12772	2.3
149.05975	2.2
149.09607	4.2
149.13272	2.8
151.03889	2.8
151.07562	1.5
153.01839	1.7
153.05411	1.5
153.09052	1.7
153.12758	2.5
155.08559	4.0
157.06496	3.8
157.10095	12.8
159.08061	3.7
159.11728	4.5
161.05951	3.5
161.09627	4.2
161.13240	8.8
163.03903	4.8
163.11156	5.5
165.05501	2.2
165.09126	1.6
165.12741	5.2
167.07144	1.8
167.08569	4.4
169.10100	3.8
171.08075	3.8
171.11682	17.9
173.04454	16.0
173.05925	2.8
173.09642	3.9
173.13231	2.6
175.07523	2.1
175.11116	9.1
177.05461	2.8
177.12692	1.4
179.03351	1.3
179.08626	1.1
179.14259	1.4
181.10048	2.2
181.12263	4.0
183.06532	1.4
183.07994	1.5
183.11649	3.5
184.07333	5.3
185.05856	1.3
185.09599	2.2
185.13280	3.2
187.07547	1.5
187.11169	2.1
189.05490	2.2
189.11208	1.7
189.12776	4.8
191.08711	1.1
191.10675	3.1
191.14311	1.4
193.08553	2.8
193.12230	26.0
195.11823	1.5
201.12579	1.7
203.14357	1.4
205.10309	1.5
207.13809	19.3
209.09749	1.3
209.13335	1.6
211.13246	26.8
211.15205	1.6
213.12769	1.3
219.13783	1.2
223.14915	1.8
225.12733	1.6
225.14877	3.3
227.12840	3.6
229.14340	3.2
237.12746	1.3
241.15955	2.4
249.14835	2.2
251.14212	1.5
252.58235	1.3
253.06966	2.1
255.13847	2.7
257.15210	1.6
259.17035	1.7
265.18146	2.5
267.15881	18.4
269.15417	4.2
271.16788	1.8
273.14896	2.5
279.15985	2.8
281.17444	46.8
283.06055	1.8
283.15463	3.5
283.44345	1.1
285.16956	12.6
287.05399	2.0
287.16364	10.0
289.06870	1.2
295.18942	1.3
299.05560	3.7
301.06955	2.3
301.14151	1.7
309.17010	3.4
313.06793	1.3
315.16043	3.3
319.15213	2.0
327.19623	1.4
333.16833	2.8
337.16626	3.0
351.17972	4.7
355.11572	2.2
355.17899	2.4
361.20248	2.9
379.20944	1.6
381.24359	2.0
389.19852	1.4
393.18988	2.3
398.80414	1.3
407.20630	2.4
411.20251	5.8
425.21597	7.4
429.21255	7.8
445.29364	1.7
447.27493	1.7
455.27869	1.6
461.28226	1.6
463.30264	1.3
473.28952	44.9
487.30307	1.9
491.30054	19.3
491.36719	1.0
497.28424	1.6
515.29797	3.2
525.32257	2.2
527.29584	1.4
539.30054	1.7
541.31195	1.4
553.31445	6.2
557.30566	1.2
571.32227	6.7
581.31207	3.1
589.33588	1.9
599.31879	3.6
617.32861	11.8
635.34222	29.9
636.33850	1.6
715.36389	1.7
761.37250	2.3
779.37317	4.2
797.40460	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	796.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.6
58.06629	0.4
59.07390	0.2
60.08152	5.7
67.05497	0.3
68.96033	0.1
69.07066	0.1
70.06565	0.1
70.81067	0.2
71.07362	3.2
71.07740	0.2
73.91604	0.1
79.05475	0.2
79.34001	0.1
81.07026	0.4
83.08601	0.1
84.33156	0.1
86.09691	29.8
87.10015	0.5
91.05475	0.2
93.07011	0.2
95.08584	0.4
98.98445	2.7
104.10725	2.2
105.07024	0.2
107.08580	0.2
109.10145	0.2
116.99472	0.1
119.08586	0.1
121.10033	0.1
122.80372	0.1
123.11703	0.1
124.99983	20.0
131.72829	0.1
133.10091	0.1
143.01035	0.5
147.11742	0.1
166.02650	0.3
184.07309	100.0
185.07655	1.7
186.07800	0.3
288.04208	0.1
356.84863	0.1
465.68484	0.1
520.33221	0.1
637.92419	0.1
778.53711	5.5
779.54254	0.5
796.53241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53592	0.3
56.05021	0.5
57.03437	2.4
57.07066	0.9
58.83259	0.3
60.08152	1.3
61.02909	4.3
66.50931	0.3
67.05492	3.8
68.05822	0.4
69.03423	3.5
69.07051	1.9
71.01347	0.5
71.04964	1.1
71.07365	1.0
71.08605	0.3
73.02908	3.9
79.05476	3.5
81.03406	3.5
81.07049	4.1
83.01108	0.7
83.04970	1.3
83.08606	1.3
85.02892	5.7
85.03358	0.5
85.06556	0.7
86.09695	7.1
86.10219	0.4
87.04455	0.5
87.10029	1.0
91.03944	3.4
91.05477	3.5
93.07029	3.5
95.01081	0.5
95.04957	1.6
95.08611	1.8
97.02880	4.6
97.06532	0.8
97.10163	0.6
98.21577	0.8
98.98449	0.4
99.04436	0.8
101.02364	2.1
102.56638	0.4
103.03941	0.4
104.10738	0.4
105.07018	2.2
107.04923	0.8
107.08582	2.3
109.02849	1.2
109.06548	0.5
109.10134	2.3
111.04427	0.4
111.08085	0.8
117.05491	0.9
117.07032	0.8
119.08543	1.9
121.10169	1.2
123.08020	0.6
123.11685	0.4
124.99989	4.8
125.09647	0.5
126.00336	0.5
127.03881	1.7
127.07506	0.4
127.11224	0.4
129.05460	1.9
129.07031	0.6
131.08569	1.5
133.10114	2.5
135.08054	0.4
135.11691	1.3
143.08588	0.5
145.04997	0.8
145.10104	1.2
147.11719	1.2
149.02310	0.4
149.09637	0.6
149.13225	0.6
157.04997	0.4
157.10052	1.0
159.11668	0.7
163.11122	0.5
171.11679	0.5
173.11777	0.5
175.11180	0.5
181.04738	0.6
184.07312	24.7
185.04218	4.2
185.07657	3.6
187.11215	0.5
193.12242	1.3
199.05887	0.4
200.20111	0.4
201.03703	1.8
203.05272	0.5
211.13257	1.0
221.11555	0.6
223.13341	1.0
229.71999	0.5
241.06786	0.7
243.08351	4.4
243.10417	0.5
251.12543	2.8
255.15833	0.4
259.07999	0.9
263.12619	1.0
291.10831	0.4
291.15781	0.6
301.08890	12.2
315.10489	3.2
327.10349	1.0
329.12152	0.4
333.20227	3.5
341.12030	1.0
343.09875	0.6
343.13696	0.4
349.16318	1.7
355.13519	0.8
357.15179	1.1
369.15039	0.9
371.16815	0.8
373.11044	4.3
373.23575	1.2
383.16858	1.8
385.18295	7.6
387.12537	0.8
389.23026	0.6
395.16858	1.2
413.17807	1.6
415.16000	0.4
429.17358	2.0
431.23929	2.0
433.25845	1.5
439.19382	4.8
443.18845	2.9
449.25137	0.5
453.21103	0.8
457.20816	1.0
467.18945	0.4
467.31802	0.5
469.20395	10.4
471.90579	0.3
477.24692	1.4
479.25882	0.5
481.20374	5.1
485.20123	1.5
487.21603	0.6
499.21375	2.5
511.21249	0.8
513.26678	0.6
515.33545	1.1
527.28235	0.8
528.21582	1.7
541.22382	7.3
541.29828	0.5
549.26801	0.5
551.28162	5.0
555.24219	1.1
561.34009	0.8
567.28436	0.7
569.25641	0.4
583.29144	0.8
610.29370	0.5
611.30469	1.0
612.31207	1.1
623.30219	4.1
625.32288	1.2
637.32123	1.1
641.31262	1.9
651.33612	1.5
652.34338	0.5
655.16199	0.5
665.34625	1.3
667.32831	6.4
667.43280	0.5
681.35034	0.4
693.38568	1.9
709.33911	13.9
710.34521	0.5
723.39081	0.5
735.39294	0.5
749.40155	1.0
761.43250	0.5
777.40302	3.1
778.41058	0.6
795.41199	100.0
796.41418	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	794.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.7
58.06310	0.1
58.06621	0.6
59.07383	0.1
60.08153	6.1
67.05483	0.2
69.07078	0.1
69.82982	0.4
70.06584	0.1
71.07359	3.2
79.05491	0.2
80.97430	0.1
81.07046	0.2
83.08612	0.1
86.09692	29.9
87.04490	0.1
87.10014	0.3
91.05460	0.2
93.07040	0.2
95.04974	0.1
95.08591	0.2
98.98447	2.9
104.10721	2.0
104.11395	0.1
105.06989	0.1
107.08582	0.1
116.12834	0.1
116.99497	0.1
119.08597	0.1
124.99982	21.2
126.00373	0.1
131.08513	0.1
133.10233	0.1
142.02498	0.1
143.01030	0.4
166.02614	0.2
167.06888	0.1
184.07307	100.0
185.07651	0.9
258.08987	0.1
337.73450	0.1
500.30365	0.1
516.30591	0.1
575.68427	0.1
771.11987	0.1
776.52075	5.0
777.52490	0.5
794.52094	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	794.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.8
57.07060	0.3
58.06616	0.4
60.08153	6.2
67.05486	0.5
69.07043	0.3
70.11366	0.6
71.07365	3.6
77.25994	0.1
79.05461	0.3
81.07027	0.4
83.08591	0.2
86.09690	29.6
87.04456	0.7
87.10005	0.3
91.05455	0.5
93.07021	0.3
95.08598	0.3
97.05620	0.1
97.06544	0.1
98.20775	0.1
98.98445	3.0
104.10722	2.5
105.07011	0.3
105.60900	0.1
107.08574	0.3
109.06493	0.1
109.10105	0.1
119.08553	0.3
121.10092	0.3
124.99981	20.0
126.00346	0.1
131.08549	0.2
133.10092	0.2
143.01050	0.4
159.52434	0.1
160.86191	0.1
166.02603	0.2
184.07306	100.0
185.07713	0.8
238.67731	0.1
252.72888	0.1
354.30930	0.2
448.31708	0.1
534.31738	0.1
560.06836	0.1
597.44080	0.2
673.46350	0.1
776.51965	0.3
794.53125	5.5
795.53192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	14.6
57.07067	7.8
60.08145	2.1
61.02910	3.8
65.03926	3.5
67.05492	91.6
69.03417	1.5
69.07055	30.6
69.33611	12.6
71.04975	2.8
71.08620	1.7
76.36300	1.0
79.05476	40.1
81.07038	100.0
82.07369	1.3
83.04969	2.7
83.08604	19.1
85.02891	3.4
85.06525	1.8
86.09693	10.0
87.04447	4.8
91.05464	23.2
93.07027	54.0
95.04951	4.1
95.08588	76.0
96.08932	2.2
97.02866	1.4
97.06507	4.6
97.10155	8.5
98.21487	2.3
99.08078	1.9
105.07018	18.9
107.08573	25.8
109.06474	2.5
109.10139	31.5
111.08039	3.3
111.11694	2.6
113.09644	1.3
117.07007	5.7
119.08559	18.4
121.09295	2.1
121.10123	29.1
123.11678	12.3
124.99979	7.1
125.09650	1.5
130.07729	1.4
131.08511	10.4
133.10095	15.0
133.74820	1.0
135.11653	18.8
137.09549	1.8
137.13237	7.0
139.11142	2.0
145.10056	9.3
147.10593	2.0
147.11639	11.8
149.13222	7.8
151.14870	2.6
153.12767	1.3
157.10072	1.8
159.11650	8.0
161.13216	10.1
163.14799	6.7
171.11682	1.6
173.13252	8.1
175.14783	4.7
177.16357	2.9
184.07306	34.3
185.13269	2.0
187.14761	3.7
199.14793	2.1
201.16333	2.2
203.17863	1.3
233.22656	1.8
241.19429	1.7
243.21043	6.8
245.22545	2.3
259.20529	3.8
261.22107	25.3
262.22440	1.4
263.23654	6.4
277.21414	1.5
279.23254	1.4
317.24701	4.7
325.51733	1.1
333.24133	3.0
335.25742	86.2
336.26181	5.7
337.27295	97.9
338.27655	4.4
339.28876	7.9
523.44806	3.2
541.46002	2.3
597.48627	29.2
598.49066	3.6
615.49658	33.5
616.50085	3.8
646.72522	1.3
648.44177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25949	0.7
57.03419	2.6
57.07050	2.3
59.04980	0.8
59.58844	0.7
60.08146	1.5
61.02907	1.0
65.03919	1.1
67.01565	0.8
67.01853	8.3
67.05175	1.0
67.05496	14.6
68.99779	4.3
69.03121	0.7
69.03421	7.3
69.07054	18.3
70.03836	4.0
71.04961	3.0
71.07370	1.4
71.08608	0.8
79.05058	0.8
79.05481	10.1
81.03409	12.0
81.07047	46.4
83.04964	3.6
83.08600	5.9
85.02885	5.9
85.06526	5.9
86.09701	4.8
91.05463	7.9
93.06462	1.2
93.07030	22.6
95.04963	7.0
95.08593	36.8
96.08923	0.8
97.02370	0.6
97.02890	5.4
97.06512	6.2
97.10159	10.9
99.04411	1.6
99.08053	2.2
101.06036	0.7
103.05430	1.5
105.07009	13.3
107.04949	5.1
107.08579	23.3
109.02875	9.9
109.06488	2.7
109.09439	1.2
109.10140	15.5
109.10892	1.0
111.04404	2.9
111.08083	7.1
111.11728	3.6
111.66281	0.8
117.06983	2.3
119.04935	4.0
119.08566	11.2
121.02821	2.1
121.06476	7.3
121.10122	17.1
123.04402	4.7
123.08040	2.6
123.11688	26.5
124.12019	1.1
125.00021	3.6
125.02322	1.7
125.09604	2.4
127.03902	7.2
128.06137	0.9
129.01810	1.7
129.06978	1.8
131.04918	1.6
131.08562	4.0
133.06400	1.1
133.10121	7.2
135.04404	1.3
135.08029	2.1
135.11674	10.6
137.05977	2.4
137.09616	2.3
137.13245	8.1
139.03865	2.0
139.11166	7.5
141.01813	0.8
141.12726	1.5
143.08530	1.7
143.10677	1.4
145.06438	1.2
145.10107	5.3
147.04388	20.1
147.08035	1.8
147.11668	8.8
149.09613	1.8
149.13245	16.7
150.29561	0.7
151.03859	2.1
151.07503	1.4
151.11131	3.0
151.14787	1.5
153.01805	91.1
153.12738	2.7
154.02118	1.3
155.08484	1.2
155.10641	0.9
155.14287	0.8
157.10103	2.8
157.12172	3.8
159.08022	1.7
159.11690	4.9
161.09581	1.8
161.13220	5.8
163.03902	2.2
163.07513	1.5
163.11122	2.3
163.14778	3.3
165.01813	7.5
165.12746	2.3
167.03337	0.8
167.07022	2.8
167.10670	1.0
167.14325	1.2
169.10098	1.4
169.12274	0.9
171.02867	90.3
171.11673	2.5
171.13817	1.0
172.03139	1.3
173.09567	1.3
173.13159	4.1
175.07422	1.0
175.11162	1.2
175.14725	2.2
177.01720	2.0
177.05447	1.1
177.09029	1.0
177.12688	1.8
177.16388	1.7
179.03354	3.3
179.14201	1.4
179.86784	0.8
181.12105	1.2
183.02864	8.2
184.07329	18.4
185.09587	1.6
185.13155	1.9
187.11119	0.9
187.13228	4.7
187.14803	2.2
189.12692	1.5
189.16391	1.7
191.03349	2.9
191.07045	0.8
191.10628	0.9
191.14215	1.8
193.12244	1.1
195.02852	14.8
195.11673	0.8
197.13231	1.2
201.16383	1.5
203.10785	0.9
203.12659	1.6
205.15947	0.9
207.02942	1.1
209.15337	1.1
211.14771	0.9
213.12669	1.1
213.16354	1.0
215.03357	1.3
215.14262	1.8
219.02803	2.9
219.17406	0.9
229.16075	1.1
231.06465	1.1
231.13713	0.9
233.04437	0.9
235.16853	0.9
237.03883	0.8
243.02872	2.4
245.04289	0.9
253.17953	0.8
257.15344	0.8
261.03961	3.3
269.22556	1.1
273.07532	100.0
274.07895	3.1
275.23529	2.2
277.25107	1.1
285.07544	9.2
287.15039	0.9
287.23651	3.9
289.25287	1.1
293.24701	4.4
297.07492	2.3
303.23120	2.4
305.24667	14.6
309.07315	1.1
313.16492	4.3
315.08667	7.3
323.25702	6.4
329.24844	0.9
331.17529	1.2
339.08481	5.9
347.25601	1.3
363.08493	2.8
365.10266	1.7
367.26172	1.4
371.25421	1.0
373.27322	1.0
381.09570	6.7
383.25598	1.1
385.27243	1.3
389.26901	1.2
395.25507	1.5
399.10455	1.0
401.26743	2.7
407.27747	1.6
413.26746	5.0
417.11588	1.0
419.27707	3.4
431.27887	9.2
437.29062	5.7
449.28925	13.1
455.30191	4.5
467.30035	11.0
485.31116	2.5
512.53925	0.8
689.31323	13.7
690.32135	1.5
793.35278	1.3
794.43707	1.1
799.02325	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.1
55.05505	15.0
57.03432	9.9
57.07076	2.4
61.02915	2.7
65.03937	2.3
67.05495	61.5
68.05839	0.6
69.03429	1.1
69.07059	14.2
69.43166	4.0
71.04964	1.9
71.08628	0.6
73.02902	0.9
75.92418	0.5
77.03954	0.4
79.05482	35.3
81.03431	0.9
81.07047	60.3
82.07388	0.8
83.04964	1.8
83.08608	8.9
85.02882	2.3
85.06529	2.5
86.09703	0.8
88.87494	0.4
91.03925	0.9
91.05468	21.9
93.07032	49.6
94.07349	0.6
95.04961	3.4
95.08593	46.7
96.08894	0.5
97.02876	1.2
97.06493	2.7
97.10158	3.5
98.21482	0.8
99.04451	0.4
99.08064	1.2
104.20204	0.4
104.90662	0.4
105.04560	0.7
105.07015	17.0
105.84432	0.4
107.08582	24.0
109.06508	1.5
109.10142	20.8
109.11256	0.5
111.08070	1.6
113.09613	0.7
115.05463	0.5
117.06997	5.6
119.08567	14.6
121.10124	21.7
122.10525	0.5
123.08076	1.0
123.11697	9.4
124.12059	0.4
124.99993	0.7
127.03917	0.5
129.06993	1.6
131.07573	0.6
131.08554	11.7
131.09500	0.8
133.10114	12.7
135.08041	0.5
135.11678	13.9
137.09628	1.0
137.13210	2.9
143.08525	1.6
145.10107	9.4
147.11668	9.3
147.12769	0.7
149.09587	0.7
149.12141	0.8
149.13240	8.3
149.14342	0.7
151.11243	0.7
151.14824	1.0
155.08531	0.7
157.10135	2.1
159.11670	8.3
161.13232	7.3
163.11241	0.6
163.14798	4.9
165.12781	0.7
171.11624	2.1
173.13245	6.8
175.14775	4.1
177.16389	1.7
184.07372	1.8
185.13217	1.7
187.14804	3.3
189.16331	0.7
191.14333	0.7
197.13264	0.5
199.14807	1.9
201.16403	1.4
203.14288	0.4
203.17940	0.9
205.19591	0.6
213.16434	0.8
215.17815	0.7
217.19443	0.5
219.17387	0.5
225.16267	0.4
227.16254	0.6
231.21126	0.7
233.22729	0.7
241.19676	3.0
243.21060	5.2
245.22565	0.7
257.18930	0.7
259.20554	7.0
261.22107	17.7
262.22406	0.6
263.23727	1.3
266.24377	0.5
266.91498	0.5
277.21606	0.7
279.23056	0.8
287.23471	0.5
299.23663	0.7
315.23279	0.7
317.24734	2.6
333.24167	6.6
335.25760	100.0
336.26038	5.0
337.27371	10.1
338.27939	0.7
349.27139	0.5
419.32852	0.4
489.36026	0.5
497.30750	0.6
503.36783	0.5
503.43179	0.5
521.43427	1.3
529.39270	0.7
539.44519	0.5
595.47150	14.9
596.47021	1.6
613.48181	12.6
614.48602	0.9
811.05518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.2
56.05016	0.6
58.06610	0.5
60.08152	5.5
67.05491	0.5
69.07056	0.2
71.07361	3.3
79.05484	0.4
81.07031	0.5
86.09693	27.8
87.10007	0.4
91.05462	0.2
93.07028	0.5
95.04924	0.2
95.08580	0.3
97.37257	0.2
98.98447	2.3
104.10720	2.4
107.08588	0.4
119.08572	0.2
121.10149	0.2
124.99985	18.2
133.10101	0.3
143.01070	0.3
160.11142	0.4
166.02582	0.2
167.73146	0.2
172.54124	0.2
177.92297	0.2
181.44701	0.2
184.07314	100.0
185.07677	1.4
258.08972	0.4
323.94592	0.2
335.26019	0.2
532.30151	0.2
609.44464	0.2
680.71515	0.2
792.51483	6.3
793.51672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.5
55.05502	29.2
57.03431	22.4
57.07055	2.8
59.04977	2.8
60.08145	1.5
61.02903	3.8
65.03918	4.2
67.01842	2.7
67.05495	73.7
68.05818	0.9
68.99776	1.4
69.03423	8.7
69.07059	34.5
70.06896	0.8
71.04978	9.1
73.02900	2.8
79.05484	55.2
80.05813	1.4
81.03408	76.4
81.07047	100.0
82.03737	1.5
82.07370	3.4
83.04974	21.1
83.08607	41.6
84.08969	0.9
85.02893	32.0
85.06523	7.2
86.09696	11.2
87.79288	0.9
91.03936	1.5
91.05469	63.3
93.07030	59.1
94.07362	2.1
95.04955	34.4
95.08597	42.5
96.05266	1.3
96.08947	2.2
97.02885	6.5
97.06522	16.2
97.10147	12.5
98.98417	1.0
99.04427	2.4
99.08081	2.8
101.37090	0.9
103.05420	1.4
104.10741	1.1
105.04501	1.5
105.07019	49.8
106.07365	1.9
107.04945	12.6
107.08578	41.5
108.08902	2.2
109.02864	5.9
109.06508	17.4
109.10139	27.9
110.10439	1.7
111.04427	4.2
111.08073	18.3
111.11711	1.3
111.94554	0.9
113.05978	3.0
113.09618	1.9
115.05402	2.8
117.07005	13.9
119.04900	3.6
119.08568	45.1
120.08886	1.1
121.06493	8.9
121.10125	31.5
122.10415	2.4
123.04401	3.6
123.08063	5.8
123.11692	13.5
124.12015	2.2
124.99980	6.3
125.05972	1.5
125.09613	9.0
127.03888	3.7
127.07520	1.9
128.06190	1.3
129.05493	1.3
129.06995	14.6
131.04826	1.0
131.08551	25.0
132.08951	1.1
133.06479	4.7
133.10112	35.3
134.10428	1.5
135.04404	1.4
135.08037	5.0
135.11658	10.8
136.12056	1.3
137.05972	2.5
137.09573	6.3
137.13263	1.5
139.03876	1.7
139.11140	3.5
141.06998	1.2
142.07748	3.7
143.08588	4.8
145.06453	2.6
145.10098	14.9
147.04373	9.0
147.08028	6.7
147.11674	31.5
148.04729	2.0
148.12044	1.8
149.08536	1.5
149.09616	17.0
149.13231	13.9
151.03871	1.9
151.11172	3.1
153.01813	28.3
153.09067	1.4
153.12769	1.8
154.02087	5.1
155.08504	2.0
157.10110	16.5
158.10582	0.9
159.08052	2.4
159.11652	14.1
160.12003	1.5
161.09587	1.8
161.13258	4.4
163.03874	1.3
163.11176	9.4
163.14851	1.8
165.09079	2.2
165.12732	7.5
165.26639	0.9
167.03378	1.0
167.06996	2.5
169.10139	3.4
171.02864	28.0
171.11644	2.7
171.13779	1.1
172.03256	4.9
173.11746	2.9
173.13257	4.5
175.11162	18.1
175.14851	1.5
177.12697	4.4
179.03445	1.2
179.14264	2.1
181.04906	1.3
183.02879	1.3
183.11691	1.9
183.13940	1.2
184.07324	38.2
185.13197	1.5
187.11177	2.0
187.13277	1.8
187.14836	2.2
189.11166	2.3
189.12746	1.2
191.03363	1.0
191.14262	2.2
193.12213	41.5
193.76817	1.1
194.12517	1.3
195.02896	6.5
195.13773	3.6
196.03255	1.6
196.41702	0.9
197.13255	2.0
201.12726	1.5
201.16411	1.5
205.12195	1.2
211.13243	45.7
212.13509	1.4
219.02794	1.7
227.12680	5.8
229.14313	6.3
229.19464	2.0
233.19028	1.2
239.17917	3.4
243.02802	1.2
247.20529	2.6
249.14859	2.2
257.18909	5.8
261.03992	2.9
267.15869	33.7
269.17441	27.5
271.74631	1.0
273.07544	23.1
274.07886	13.8
275.20050	36.5
275.23132	1.6
276.20438	1.0
276.55789	0.9
285.16934	61.4
286.17343	1.3
293.21051	6.4
293.24417	1.5
294.24908	2.2
303.23166	7.5
304.23547	6.4
315.08649	1.9
316.08841	1.4
321.24161	2.2
322.24451	2.4
331.22574	1.7
339.08389	1.4
349.23700	25.2
367.24750	12.7
381.09561	1.8
382.09802	1.6
387.24948	1.3
413.21414	1.6
421.25931	4.4
429.74435	1.1
433.29382	1.7
439.21008	1.6
439.26810	19.9
443.27734	2.9
447.27652	1.1
448.27856	1.1
455.27103	1.2
461.28955	34.4
462.29733	1.9
465.28424	1.4
466.28812	2.5
467.30872	1.0
479.29993	92.8
480.30313	2.3
523.33929	1.2
541.35217	27.7
559.36237	58.0
560.36346	2.7
577.37335	25.3
623.34436	6.2
630.36493	1.5
673.29590	1.1
694.35327	3.3
792.41913	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05257	0.6
55.05504	7.4
56.05023	0.9
57.03432	4.9
58.06596	0.5
60.08156	6.0
60.08443	0.3
61.02901	0.8
63.70287	0.3
65.03909	0.7
67.05495	15.9
69.03413	2.6
69.06715	0.6
69.07056	7.0
69.32768	4.2
71.01333	0.4
71.04976	1.6
71.07363	3.0
72.50723	0.4
73.02916	0.6
79.05482	14.1
80.05827	0.4
81.03407	19.2
81.07046	17.4
82.07329	0.5
83.04970	3.0
83.08138	0.4
83.08607	7.5
85.02891	1.9
85.06500	1.0
86.09695	28.3
91.03941	0.5
91.05466	12.4
93.07028	13.7
95.04958	8.1
95.08595	7.0
97.02881	1.9
97.06500	3.6
97.10151	3.9
98.21535	0.6
98.98460	2.3
99.04414	0.5
99.08070	0.8
104.10742	2.2
105.07021	10.3
107.04944	2.6
107.08582	8.5
109.02861	0.7
109.06483	2.2
109.10144	4.1
111.04440	0.8
111.08075	2.3
113.09668	0.5
115.05436	0.6
117.06998	3.9
119.08560	8.2
121.06464	2.2
121.10129	5.6
122.10452	0.4
123.04398	0.8
123.08038	1.6
123.11668	1.0
124.99985	19.9
125.09610	3.7
127.03890	0.7
128.06233	0.7
129.06990	3.2
131.08542	6.5
133.06444	1.0
133.10124	6.4
135.08022	1.3
135.11673	3.8
137.09581	1.0
141.07011	0.5
142.07750	0.9
143.08527	1.5
145.06435	1.0
145.10101	3.9
147.04396	0.7
147.08008	1.6
147.11655	4.8
149.09596	4.1
149.13271	1.9
151.07425	0.5
151.11136	0.7
153.09018	0.7
155.08511	0.9
157.10077	3.5
159.08084	0.6
159.11687	2.3
161.09586	0.8
161.13214	0.9
163.11136	1.7
165.12732	1.2
169.10074	1.0
171.11641	1.4
173.04390	0.4
173.09593	0.9
173.13213	0.9
175.11157	2.9
177.12642	0.6
183.11636	0.6
184.07314	100.0
185.07674	1.4
185.09415	0.4
185.13156	0.8
187.11185	0.5
189.11201	1.3
193.12195	5.6
195.11772	0.4
195.13783	0.9
197.13139	0.4
203.14488	0.4
211.13206	0.9
217.15808	0.7
227.12701	4.0
229.14270	0.6
249.14720	0.7
255.15677	2.1
257.18903	1.4
267.15878	18.4
268.16455	0.6
269.14819	0.6
269.17468	6.5
273.14902	0.5
275.20001	5.0
285.16940	1.9
293.21140	0.6
321.24258	0.4
331.22763	0.7
349.23679	4.3
350.24384	0.5
351.23141	0.8
367.24713	1.5
369.24084	1.0
387.25085	0.7
421.25583	0.4
437.25031	1.0
439.26389	0.7
443.28073	2.0
447.27365	6.1
461.28949	21.8
462.29221	0.7
465.28723	0.4
467.31381	0.9
473.28848	0.7
477.28433	0.7
479.29956	3.7
485.32437	0.5
501.31628	0.9
523.34277	0.7
541.35193	12.9
542.35535	0.9
559.36224	6.7
577.36975	1.7
587.31866	0.7
644.35590	1.4
724.41473	0.8
742.42877	6.3
792.42572	1.2
793.39484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05499	4.3
57.03425	3.8
57.07060	0.8
59.04976	0.5
60.08148	0.6
61.02916	5.7
65.03940	0.7
67.05492	11.7
68.05830	1.0
69.03406	4.0
69.07055	4.0
69.43221	5.1
71.04977	1.1
71.08610	0.8
73.02908	4.6
79.01624	0.6
79.05479	8.9
80.05809	1.4
81.03403	7.3
81.07043	11.8
81.46304	0.5
83.04961	2.8
83.08598	3.4
84.05301	0.6
85.02889	7.0
85.06525	0.9
86.09692	3.2
87.04443	0.6
91.03944	3.6
91.05461	7.9
92.05804	1.2
93.07033	9.6
94.07388	1.1
95.04959	4.2
95.08591	5.3
96.08931	0.9
97.02856	5.9
97.06508	1.8
97.10150	1.1
99.04432	0.8
99.08077	1.7
101.02375	1.5
103.03902	0.6
105.07008	6.0
106.07372	0.6
107.04951	1.5
107.08571	5.2
109.02872	1.2
109.06512	1.7
109.10128	4.5
111.04412	0.6
111.08050	1.2
117.07006	2.0
119.08540	3.4
121.06500	1.2
121.10116	3.0
121.64174	0.5
123.08051	1.6
124.99989	1.9
125.09618	1.7
127.03876	2.9
129.05479	2.4
129.07016	2.4
131.08527	2.5
133.10089	4.0
134.10452	0.9
135.08043	1.0
135.11699	2.1
143.08569	1.5
145.04938	0.9
145.10110	2.2
147.08037	0.9
147.11642	4.0
149.09586	1.3
149.13245	1.2
157.08546	0.6
159.11641	1.7
161.09622	0.7
161.13242	1.4
171.11714	1.4
173.11786	0.7
175.11145	0.7
179.14267	2.0
183.11646	0.6
184.07309	11.1
185.04167	5.1
185.07742	1.7
189.12743	0.9
193.12280	0.6
195.06444	0.6
199.13232	0.7
201.03743	1.8
201.14845	0.6
203.05193	0.8
207.13661	0.9
223.13228	0.6
227.12688	0.9
229.14323	0.9
241.06902	0.8
243.08388	6.2
247.13055	4.2
251.12602	0.8
255.15770	0.7
259.20383	0.7
263.12610	0.9
267.15887	4.3
268.16098	2.5
269.17392	1.3
270.17746	0.6
273.14664	1.0
277.21619	1.1
287.16202	1.0
301.08875	11.9
301.12076	0.8
301.16342	0.6
303.15689	1.0
313.09067	0.6
315.10397	3.4
329.11981	0.7
341.12018	1.4
343.13928	0.6
345.16849	2.8
350.24048	0.7
352.25696	0.8
355.13812	1.2
357.15247	1.0
369.15182	1.3
371.16791	2.7
373.10989	6.4
383.16843	0.9
385.18234	6.7
387.12686	1.0
391.17371	1.5
401.14105	0.6
413.17712	3.0
429.17249	1.7
429.26312	2.6
435.20053	1.8
439.19312	0.9
443.18900	1.4
455.18857	1.4
457.20422	1.3
465.20868	21.6
466.21118	1.1
468.19540	0.6
475.26712	1.5
481.20377	9.0
495.21799	7.8
495.28098	0.7
496.22681	1.3
513.26501	0.7
524.22174	3.9
527.28772	0.7
528.22137	0.7
537.22803	6.1
539.28058	0.8
543.29517	0.8
543.36542	3.1
544.37042	7.5
549.26935	0.9
551.24982	1.1
565.30280	4.1
567.27771	1.0
579.31549	4.6
580.31714	1.1
607.30939	2.3
608.31622	4.0
612.31622	0.8
637.31616	5.9
663.33533	2.1
705.34430	34.2
706.34753	1.9
773.40289	2.9
791.41663	100.0
792.42236	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	791.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.9
55.05501	20.2
57.03428	2.9
57.07063	3.1
58.45124	0.8
61.02902	0.9
65.03929	1.6
65.29920	0.7
67.01855	6.9
67.05495	16.6
68.99771	3.7
69.03419	7.9
69.07057	17.5
70.07357	0.9
71.04972	3.2
73.02889	1.4
79.05482	8.9
81.03406	16.8
81.07044	33.7
82.07339	1.0
83.01306	0.8
83.04984	4.7
83.08599	5.8
85.02891	7.7
85.06517	3.3
85.38963	0.8
86.09681	1.9
87.04512	0.8
91.05465	10.3
91.57208	0.8
93.07035	16.1
95.04955	8.6
95.08591	24.1
97.02876	3.5
97.06520	6.6
97.10154	37.6
98.10470	1.2
98.20787	2.2
99.04442	2.6
99.08073	3.1
99.61510	0.9
103.03948	0.8
103.05460	1.0
105.07010	15.5
106.07366	0.8
107.04932	6.3
107.08574	14.7
109.02863	11.7
109.06522	4.5
109.10136	19.8
111.04435	3.4
111.08062	4.1
111.11688	3.3
115.05416	1.5
117.06993	3.6
119.04924	5.3
119.08559	12.4
121.02881	2.3
121.06487	8.3
121.10113	12.2
123.04391	4.2
123.08047	3.5
123.11687	17.3
124.11990	0.9
125.02304	1.7
125.05957	1.3
125.09609	9.5
127.03905	7.1
127.11175	1.3
129.01846	1.1
129.05521	1.1
129.06993	2.8
129.09991	0.8
131.08565	5.0
133.06519	1.3
133.10101	8.3
135.08040	2.7
135.11668	8.8
137.05983	1.4
137.09567	5.4
137.13246	2.3
139.03879	1.4
139.11151	7.1
141.09052	2.2
142.07736	1.0
142.18872	0.9
143.08601	3.8
143.10652	11.6
145.06453	1.0
145.10114	6.5
147.04385	23.6
147.08022	3.1
147.11661	8.6
149.09583	3.7
149.13257	6.0
151.03874	1.7
151.07544	2.6
151.11156	2.9
151.14801	1.2
153.01802	88.5
153.12721	0.9
154.02170	1.4
155.08633	1.0
155.10609	1.2
157.10156	4.4
157.12233	2.5
159.08109	1.6
159.11658	8.0
161.09573	2.8
161.13222	5.0
163.03870	2.0
163.07559	1.0
163.11172	3.7
163.14810	1.4
165.01791	6.5
165.05519	1.2
165.09062	3.3
165.12691	4.3
167.07027	3.7
167.14293	1.5
169.10068	1.4
171.02859	79.7
171.10120	1.5
171.11635	2.1
172.03233	1.3
173.05983	1.0
173.09625	1.9
173.11816	1.7
173.13240	3.7
175.03801	1.1
175.07516	1.2
175.11171	3.4
175.14819	2.8
177.01865	1.2
177.05473	1.7
177.09096	0.9
177.12732	2.4
179.03371	4.4
179.10649	0.8
181.04916	1.9
181.12187	1.4
182.46185	0.8
183.02858	9.0
183.11685	2.0
184.07315	5.2
185.09715	1.2
185.11678	1.0
185.13177	2.1
187.14790	2.3
189.01791	1.3
189.05533	0.8
189.11205	4.6
189.12785	2.4
189.16339	1.8
191.03331	2.6
191.07002	1.2
191.10643	1.0
191.14273	1.4
193.12257	4.3
195.02855	19.1
195.11647	1.7
195.13705	1.3
199.11081	1.4
199.14803	0.9
201.12787	1.9
201.16461	1.5
203.10757	1.2
203.12704	1.3
205.04955	0.9
205.08664	1.0
205.12221	0.9
207.02823	1.3
207.13783	1.5
211.13170	1.8
213.12733	1.8
215.03339	1.7
215.14287	1.2
217.04758	0.9
217.15669	1.2
219.02904	3.3
219.17470	0.9
227.12643	1.2
229.14145	1.4
229.16104	1.5
229.34953	0.9
231.06407	1.3
231.13820	1.8
233.04317	1.1
233.15295	1.3
235.17084	0.9
237.14740	1.1
242.31865	0.8
243.02885	2.3
245.15251	1.8
247.16821	1.4
251.16338	1.5
261.03867	5.5
265.17978	1.1
267.15894	2.9
267.21002	1.0
273.07523	100.0
273.22049	0.9
274.07864	3.9
275.23599	1.5
285.07550	9.6
285.17041	2.2
285.22012	1.4
285.72507	0.9
291.23117	1.8
297.07596	2.5
297.13260	1.1
303.23090	7.0
309.07547	0.9
309.24112	1.3
315.08600	8.0
315.14374	3.0
321.24203	8.0
327.08578	1.2
339.08606	6.6
349.23892	1.4
363.08560	4.7
363.25238	1.3
367.24844	1.5
369.24454	0.9
381.09616	7.7
383.25702	0.8
387.25293	1.3
393.09741	1.1
399.10666	1.3
405.26181	3.8
411.25369	4.5
417.11414	1.1
417.26218	2.3
423.27155	2.0
429.26245	8.6
435.27090	2.5
439.26797	3.3
447.27353	19.1
448.27753	1.1
453.28302	2.9
465.28421	22.1
465.35120	1.2
466.28656	1.0
467.24323	0.9
479.29935	2.2
483.29391	7.6
484.29474	0.9
531.05988	0.9
541.34912	0.9
559.36365	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	0.2
56.05021	0.8
57.03416	0.1
57.07058	0.2
58.06291	0.1
58.06611	0.4
59.07135	0.0
59.07401	0.2
60.08150	6.4
67.05484	0.3
69.07050	0.1
69.36414	0.1
69.36822	0.5
70.06566	0.2
71.07358	3.4
71.08623	0.1
79.05498	0.3
80.97414	0.1
81.07059	0.3
83.04945	0.1
83.08584	0.1
86.09686	33.2
87.10011	0.4
91.05463	0.2
93.07021	0.2
95.04964	0.1
95.08576	0.2
97.10152	0.1
98.98441	3.1
104.10721	3.2
105.07021	0.2
107.08547	0.1
109.10143	0.1
116.99480	0.1
117.06966	0.1
119.08562	0.1
121.10126	0.1
124.99976	21.5
126.00317	0.1
133.10062	0.1
143.01009	0.4
147.11624	0.1
166.02654	0.3
184.07297	100.0
185.07658	1.3
186.07816	0.2
312.95270	0.1
478.33023	0.1
496.33746	0.2
610.45160	0.2
618.44757	0.1
676.45190	0.1
690.46881	1.9
691.47339	0.2
704.25708	0.1
754.53339	0.1
772.54675	1.0
773.54395	0.1
790.55762	4.4
791.56274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.4
55.05499	26.3
56.02608	1.1
57.03423	14.5
57.07050	2.2
59.04967	2.6
60.08145	2.7
61.02910	3.4
65.03928	4.1
67.05493	65.6
68.05805	1.6
69.03415	7.5
69.06712	1.7
69.07056	22.2
71.04980	12.1
73.02881	1.5
76.50197	1.2
79.05478	54.5
81.03407	43.3
81.07043	62.0
82.07381	1.7
83.04970	11.3
83.08611	18.0
85.02888	5.6
85.06519	4.0
86.09689	9.2
91.03916	1.8
91.05463	55.2
92.05767	1.3
93.07024	57.7
94.07349	1.6
95.04952	26.8
95.08591	34.8
97.02871	4.5
97.06504	10.6
97.10152	13.3
98.98454	1.5
99.08062	4.3
105.07014	50.1
106.07320	2.4
107.04948	10.0
107.08575	32.6
109.06493	9.6
109.10143	21.5
111.04414	2.6
111.08073	7.2
115.05437	3.0
116.04733	1.4
117.06996	18.4
117.14170	1.4
119.08560	37.6
120.08925	1.4
121.06499	6.0
121.09300	2.3
121.10118	23.9
123.04410	1.7
123.08034	6.6
123.11681	5.6
124.99989	7.4
125.09615	11.7
128.06219	2.7
129.05453	3.3
129.06978	15.3
130.07790	1.2
131.08549	28.5
133.06451	4.1
133.10103	34.4
134.10446	2.2
135.08014	5.1
135.11653	16.0
137.09608	5.1
139.07578	1.8
139.11110	1.2
141.06984	3.6
142.07707	2.5
143.08549	13.0
144.09302	1.4
145.06482	2.5
145.10091	22.2
145.11121	1.8
147.08017	5.4
147.11658	19.9
148.12048	2.0
149.09601	8.0
149.13219	7.6
151.11166	5.0
153.09135	1.8
153.12685	2.2
155.08559	4.6
157.08815	2.1
157.10091	12.5
159.11662	14.0
161.09624	2.4
161.13243	7.2
163.11136	8.8
163.14812	1.5
165.12691	3.4
167.08545	3.0
169.10046	7.4
171.07991	1.4
171.11684	9.8
172.12009	1.6
173.09563	2.1
173.11835	2.2
173.13239	7.9
175.11182	6.3
175.14806	3.7
177.12749	4.0
179.08562	1.9
179.14275	3.0
181.10095	3.0
181.12215	2.6
183.11650	4.3
184.07307	34.3
185.07669	2.3
185.13206	9.5
187.11188	3.0
187.14844	2.9
189.11198	3.4
189.12703	1.4
191.10645	1.3
193.12198	7.7
193.15854	1.3
195.11650	4.3
195.13591	1.9
197.13187	4.0
199.14798	5.9
201.12749	1.7
207.14056	1.2
209.11566	1.6
209.13281	3.6
211.13225	4.8
211.14990	1.8
217.15947	2.3
219.17445	1.3
221.13249	2.1
227.12692	13.4
229.14275	3.6
229.38237	1.6
239.17992	1.8
241.19557	4.0
253.14290	1.9
253.18027	1.4
257.18976	2.4
259.20480	14.2
263.17838	1.5
267.15872	19.8
268.16238	2.0
269.17383	6.8
275.20065	8.1
276.20358	1.6
283.15335	6.3
285.16934	3.4
291.19559	2.8
297.22211	2.2
299.23715	5.2
301.16412	6.3
301.19720	2.3
315.23227	2.1
325.21719	1.6
333.24124	8.3
349.23917	8.4
350.24261	2.1
351.24347	2.3
375.25266	1.3
403.24844	2.4
415.29715	1.6
421.25656	5.6
423.27383	2.6
433.25897	1.5
433.30984	9.1
435.27316	5.2
437.28976	1.7
449.29007	2.0
451.32001	9.4
459.27213	2.8
463.30426	3.1
469.32983	5.2
477.28506	4.9
489.32642	1.9
495.28918	6.2
507.34418	4.3
515.37109	1.6
517.35083	5.7
525.35675	45.2
541.35095	5.1
542.35370	4.6
543.36627	100.0
544.36920	4.1
557.38232	8.7
559.36115	3.3
561.37238	1.8
575.39563	13.9
585.36859	1.4
593.38562	1.4
791.39746	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	790.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.8
55.05256	1.2
55.05503	20.5
57.03430	11.6
57.07064	1.9
59.04989	1.2
60.57961	0.8
61.02908	1.8
65.03923	2.5
66.91853	0.8
67.05497	43.6
69.03419	4.1
69.06717	1.1
69.07059	16.7
70.22158	3.6
71.04981	7.7
73.02895	1.4
79.05484	38.4
81.03407	37.0
81.07047	43.0
83.04959	7.3
83.08133	1.1
83.08608	16.1
85.02883	3.9
85.06522	4.6
86.09693	3.1
91.03932	0.9
91.05470	40.6
93.07031	45.0
95.04955	16.9
95.08592	28.8
97.02866	2.5
97.06523	5.8
97.10162	10.2
99.04426	1.6
99.08072	2.4
103.05444	0.8
103.27473	0.8
105.07017	35.6
107.04948	6.9
107.08577	25.0
109.02858	0.9
109.06499	4.6
109.10133	13.9
111.04384	1.7
111.08061	4.1
115.05444	1.8
117.07011	13.6
119.08568	30.7
121.06474	3.9
121.10129	23.6
123.04400	0.9
123.08067	5.1
123.11708	3.8
124.99982	1.3
125.09632	8.9
127.03880	0.8
128.06183	1.5
129.05507	1.7
129.06996	14.3
130.07768	1.0
131.04912	1.1
131.08557	23.1
133.06476	3.4
133.09094	1.3
133.10107	24.6
135.04411	0.8
135.08055	4.2
135.11664	12.1
137.09624	2.6
139.11180	1.4
141.06966	3.0
142.07756	3.3
143.08542	11.6
145.06531	1.3
145.10106	19.5
147.08072	4.4
147.11665	16.5
149.09601	5.4
149.13228	4.6
151.11133	2.1
153.09077	1.5
153.12759	0.9
155.08553	5.5
156.09253	1.3
157.10123	13.3
159.08052	1.7
159.11671	14.3
161.09592	2.8
161.13248	8.5
163.11148	4.7
163.14807	1.7
165.12709	3.1
167.08549	2.2
169.10101	7.0
171.08075	1.7
171.11658	10.0
173.09529	2.2
173.11838	1.3
173.13228	7.4
175.11166	5.3
175.14772	3.7
177.12723	1.8
179.08580	1.0
179.10553	0.8
181.10075	3.2
183.11659	6.9
184.07306	9.3
185.07648	0.9
185.09570	1.4
185.13249	7.2
187.11084	2.0
187.14793	3.5
189.11188	3.2
189.12755	1.9
189.16408	1.5
191.10622	0.9
193.10464	1.2
193.12193	6.3
195.11642	4.5
195.13358	0.8
197.13228	5.4
199.11177	1.2
199.14798	4.4
201.16429	1.0
203.06729	0.9
205.12166	1.0
207.11740	1.2
209.13231	3.3
211.14838	2.0
213.16385	2.1
217.15833	2.3
221.13248	0.9
223.14777	2.2
225.16536	1.0
227.12662	9.1
229.14299	3.1
231.21086	1.2
237.16312	2.1
241.19562	4.3
249.16315	1.2
257.19141	1.6
259.20544	13.5
265.14240	1.0
265.19666	1.2
267.15869	18.7
269.17307	1.8
273.18460	1.3
275.20059	2.8
283.15335	2.4
283.20447	1.6
285.16953	3.2
285.22089	1.9
293.21469	0.9
295.20691	1.4
297.21991	1.8
299.20264	1.3
299.23611	5.9
301.16431	1.4
301.21225	1.0
311.19885	0.9
313.21292	0.9
315.22946	1.6
321.22040	1.0
325.21445	1.7
331.22629	1.3
333.20923	1.0
333.24286	8.6
339.23029	1.1
349.23746	2.2
357.24167	1.3
403.24475	1.8
407.24017	1.6
415.29929	2.1
417.26236	1.5
421.25757	9.0
423.27539	1.5
423.32672	1.2
433.31119	7.5
435.27151	5.9
437.28821	1.2
443.27975	2.3
447.27579	1.2
449.28745	1.0
451.32083	10.8
463.30652	1.5
469.33060	5.3
473.58905	0.9
483.35510	1.0
487.33646	1.0
489.33267	1.2
496.54681	0.9
499.34061	1.0
503.33499	1.0
507.34351	5.3
517.35071	3.7
525.35730	48.3
526.35815	2.5
541.34650	1.5
543.36761	100.0
544.37256	4.0
552.48541	0.9
555.37408	0.9
557.38403	10.9
567.36700	1.6
575.39429	17.0
585.37738	1.5
603.70410	0.9
651.38892	1.3
669.39752	1.4
687.40521	1.7
705.41235	1.4
791.37164	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	790.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	16.7
55.05503	39.0
57.03141	1.3
57.03428	26.4
57.07059	2.9
59.04982	1.8
61.02909	6.1
64.38048	1.0
65.03930	5.2
67.05493	87.0
69.03113	1.2
69.03420	13.1
69.07058	31.1
69.47943	9.0
71.01340	3.3
71.04700	0.9
71.04990	10.6
73.02906	6.1
79.05479	75.2
80.05817	1.1
80.06258	1.1
81.03404	54.3
81.07043	100.0
82.04196	2.1
82.07350	2.0
83.04970	26.6
83.08131	1.7
83.08602	28.7
84.02104	1.7
85.02895	19.1
85.06532	7.2
86.09694	3.2
86.38371	1.1
91.03943	2.9
91.05466	69.4
93.07028	68.9
95.04961	32.2
95.05516	0.9
95.08592	40.4
97.02879	11.8
97.06520	17.7
97.10155	14.9
98.07294	4.4
98.21454	2.2
99.04436	2.8
99.08071	3.8
103.03911	1.3
105.04494	2.0
105.07013	48.1
107.04941	17.4
107.07849	2.3
107.08575	41.3
109.02852	3.8
109.06510	10.9
109.10133	16.2
111.04409	2.8
111.08072	14.2
111.11710	1.3
113.05982	3.9
113.09616	1.4
115.05436	2.8
116.04689	7.4
117.06999	17.3
119.08564	36.5
121.06484	8.0
121.10120	23.1
123.08044	12.0
123.11682	5.9
124.99969	2.3
125.09603	13.6
127.03881	3.6
127.07571	2.4
128.06213	2.5
129.05479	17.6
129.06966	12.1
130.07764	1.6
131.04884	1.4
131.08545	24.3
133.06459	3.6
133.10109	35.0
135.08076	7.7
135.11674	24.5
136.08800	1.2
137.05902	1.2
137.09579	7.5
139.11139	2.4
140.24934	1.1
141.06972	1.7
142.07736	2.3
143.06999	3.1
143.08530	5.3
143.10649	1.4
145.04929	1.5
145.06441	2.2
145.10100	18.1
147.08012	5.8
147.11659	22.0
149.09592	13.2
149.13237	10.5
151.11151	4.4
153.09027	2.0
153.12762	2.8
155.08479	1.1
156.08997	1.2
157.08589	7.9
157.10106	15.7
159.07988	1.2
159.11644	12.1
161.09595	2.8
161.13240	3.6
163.11172	13.9
165.09157	1.5
165.12726	5.0
169.10199	2.5
169.12349	1.4
171.06511	2.1
171.10214	1.9
171.11713	3.3
173.04425	2.0
173.09579	1.6
173.11684	3.5
173.13266	4.8
175.11165	13.3
177.12697	5.0
179.10579	1.3
181.12219	4.7
184.07314	14.6
185.11713	1.7
187.11206	1.4
187.13280	1.6
189.11198	5.4
189.12750	1.3
191.10651	1.7
193.12213	37.0
195.13777	7.0
197.13245	1.4
199.13251	9.1
200.13927	1.8
209.11694	5.9
210.12405	1.6
211.13243	34.7
215.14229	1.1
223.08539	1.0
227.12738	11.2
229.14333	4.0
239.18118	1.4
243.15932	5.4
247.20499	1.6
253.14200	5.1
255.15826	21.2
257.18964	4.6
267.15848	26.6
268.16483	2.7
269.17441	28.1
270.17801	1.5
273.18436	4.8
274.19186	1.1
275.20010	13.4
283.15417	10.0
285.13989	1.8
285.16956	27.4
291.19467	5.9
301.16422	40.9
302.16840	1.6
323.18860	1.8
328.38263	1.1
349.23584	13.1
365.22931	1.7
367.24805	2.4
393.26132	2.8
409.25613	1.4
411.27328	3.4
423.27417	9.0
435.27356	2.3
447.27264	5.3
453.28458	4.9
459.27136	1.6
460.27859	1.5
461.28735	4.7
464.27573	1.5
465.28510	6.0
477.28275	5.6
478.28732	3.1
479.29721	3.7
481.27872	10.9
495.29471	35.6
496.30023	2.0
541.35150	1.9
557.34662	2.9
559.35913	3.0
575.35876	10.4
593.36859	5.1
615.28961	1.3
639.32910	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.0
55.05504	32.9
55.05770	2.3
57.03428	37.6
57.07058	2.0
58.95796	0.9
59.04989	4.1
61.02929	8.0
61.87617	1.0
65.03938	6.5
67.05495	87.5
68.05824	1.5
69.03421	22.0
69.07058	58.6
70.07406	1.1
71.01345	2.6
71.04984	27.2
71.07362	0.9
73.02908	8.2
73.06534	1.2
77.03926	3.0
79.05480	75.5
81.03406	78.2
81.07044	93.7
82.07384	1.6
83.01333	1.7
83.04972	32.0
83.08607	35.6
85.02894	35.6
85.06535	7.3
86.09689	4.9
87.04450	3.7
87.69607	1.1
91.03951	2.8
91.05467	82.0
92.05768	2.5
93.07030	74.6
94.07349	1.1
95.04343	2.4
95.04956	41.5
95.08595	40.6
97.02883	14.7
97.06516	100.0
97.10146	13.3
98.06806	1.7
98.21487	2.2
99.04459	5.0
99.08083	9.4
101.06025	0.9
103.03959	1.5
103.05453	3.0
105.03397	1.1
105.04487	1.6
105.07014	55.4
106.07331	1.5
107.04939	21.9
107.08576	39.8
108.08903	1.8
109.02845	6.2
109.06509	24.8
109.10130	21.3
110.82061	1.1
111.04433	5.6
111.08067	20.4
113.05967	4.7
115.05453	3.7
115.07555	29.4
116.06197	1.1
117.07005	23.2
119.04915	3.1
119.08564	45.3
120.08880	1.5
121.06486	16.0
121.10125	25.3
123.04409	1.8
123.08048	12.5
123.11687	5.7
124.99978	4.0
125.05941	1.9
125.09616	9.0
127.03876	7.0
127.07545	5.3
128.06209	4.0
129.05490	2.4
129.06985	25.7
130.07809	1.3
131.04915	1.3
131.08551	37.3
132.08929	1.9
133.06456	7.7
133.10103	33.8
134.10425	2.1
135.04315	1.2
135.08038	13.2
135.11665	12.6
136.06146	1.4
137.09618	5.0
139.03876	1.1
139.07591	1.7
139.11205	1.4
141.06976	3.1
142.07785	5.2
143.08542	11.4
145.04883	1.7
145.06461	3.4
145.10092	22.8
147.08023	12.2
147.10487	1.4
147.11661	25.5
147.12766	1.7
149.05928	1.3
149.09595	15.6
149.13217	8.9
151.03970	1.2
151.07497	1.4
151.11165	5.7
153.09120	1.6
153.12671	2.3
155.08557	4.0
157.06470	1.3
157.10103	23.7
159.08032	3.4
159.11653	13.3
161.09587	11.7
161.13232	2.9
163.07527	1.7
163.11157	13.5
165.09084	1.3
165.12778	5.0
167.08495	2.6
169.10114	4.9
171.11604	5.3
173.04477	5.3
173.09608	5.7
173.11787	1.9
173.13248	4.0
175.11153	21.2
175.14799	1.8
177.09140	1.0
177.12729	5.9
179.10638	1.6
181.10161	2.0
181.12192	4.9
183.11679	3.8
184.07318	20.9
185.09581	2.2
185.13222	5.5
187.11179	2.5
187.14835	2.3
189.11186	2.0
189.12746	2.8
189.16357	1.3
191.10625	3.2
191.14369	1.3
193.12215	46.3
195.11867	2.1
195.13806	5.9
197.13252	2.1
199.11104	2.6
199.13176	1.2
199.14778	4.8
201.07570	3.4
201.12706	3.2
203.14278	2.5
205.12193	1.9
209.11684	2.4
209.13394	1.8
211.13252	70.3
212.13609	2.7
213.12820	1.6
215.14395	1.4
216.65237	1.0
217.12318	1.2
217.15854	14.6
219.13724	2.1
221.15294	1.5
223.09422	1.1
227.12657	10.0
227.17946	2.4
229.14278	5.0
230.14471	1.2
231.17293	1.4
233.15355	4.3
235.16881	1.4
237.16461	1.6
245.18921	5.7
247.95657	1.0
249.14903	2.8
251.16243	1.5
253.14194	6.5
255.17354	4.3
257.18900	1.8
263.19995	2.0
267.15860	27.5
269.17413	27.8
273.18445	45.6
274.18854	1.7
275.19992	7.1
283.15335	17.0
285.16913	65.6
286.17267	3.3
291.16418	2.1
291.19522	25.2
293.20993	1.7
301.16605	1.7
307.19009	5.9
309.20639	2.0
311.19836	1.1
312.85690	1.0
323.18820	1.5
329.21075	2.5
331.22543	1.7
341.19553	2.4
347.22180	18.0
349.23822	5.2
365.23160	17.4
367.24875	1.8
381.20551	1.6
383.24146	3.2
407.26035	1.0
419.29318	1.4
437.24960	5.6
443.27945	2.6
447.28043	3.6
461.29001	14.5
465.29037	6.0
477.28433	17.5
479.23343	2.1
479.29974	28.6
480.30267	2.4
483.31131	1.5
499.30307	2.5
501.32108	2.3
505.31512	2.2
507.29581	3.5
517.31555	4.3
533.30780	2.1
539.33875	7.6
540.33075	1.6
557.34662	29.2
558.35120	1.2
575.27179	1.8
575.35748	29.6
576.35876	2.8
593.36945	12.3
737.40002	1.5
758.30182	1.2
790.41461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01624	2.0
55.01864	22.7
55.05500	41.4
57.03176	2.0
57.03429	23.7
57.07066	3.1
59.04988	2.0
60.72955	1.2
61.02909	7.8
65.03922	3.5
67.05492	100.0
67.54456	1.3
69.03414	13.0
69.07055	57.0
70.87711	4.2
71.01328	2.6
71.04988	11.9
73.02892	5.2
73.06516	1.2
75.16043	1.1
79.05478	79.7
81.03403	68.9
81.07041	89.5
82.04181	2.9
82.07355	1.9
83.04973	26.6
83.08604	34.2
85.02889	31.3
85.06536	7.1
85.63286	1.4
87.04407	1.5
91.03934	2.4
91.05463	87.4
93.07024	64.4
94.07209	1.1
95.04958	44.0
95.08590	50.7
97.02879	11.8
97.06504	25.9
97.10149	16.9
98.07291	4.0
99.04426	2.7
99.08059	4.3
101.06018	1.3
103.05435	1.9
105.04499	2.3
105.07010	61.9
107.04941	20.8
107.08577	35.6
109.02876	2.6
109.06488	11.6
109.10136	29.1
111.04426	5.9
111.08064	20.8
113.05972	2.6
113.09625	1.7
115.05408	3.9
116.04694	4.1
117.07001	16.9
119.04945	1.4
119.08558	48.7
121.06483	7.7
121.10129	21.8
123.08057	11.2
123.11684	6.3
125.09596	17.5
127.03871	4.5
127.07528	1.6
127.11195	1.6
128.06157	2.2
129.04597	1.6
129.05479	15.0
129.06963	16.4
131.08553	28.3
133.06439	4.6
133.09090	1.9
133.10095	34.6
135.08031	8.8
135.11673	19.8
137.09593	17.7
137.13080	1.6
139.07494	1.8
142.07732	3.6
143.07045	2.5
143.08507	5.9
145.06447	2.8
145.10088	18.7
147.08017	4.9
147.11674	27.1
149.09598	29.5
149.13260	6.4
151.11171	4.0
153.09105	2.2
155.08479	3.1
155.10612	2.7
157.08569	4.9
157.10091	18.2
159.08023	1.7
159.11676	11.3
161.09624	3.4
161.13229	5.4
163.11143	14.6
165.09064	1.5
165.12726	5.8
169.10095	2.8
171.08331	1.1
171.10071	3.9
171.11638	4.2
173.04344	1.9
173.11687	7.5
173.13210	4.5
175.11147	20.9
175.14728	1.5
177.12704	5.0
179.14258	2.7
183.11633	2.2
184.07306	2.4
185.11655	1.7
185.13237	2.6
187.11192	3.3
187.13179	1.4
187.14735	1.5
189.11171	9.5
189.12614	1.7
191.10663	1.7
193.12212	50.2
194.12549	1.7
195.11807	2.1
195.13771	4.0
197.13229	2.4
199.13281	5.7
205.12120	1.6
209.11687	2.0
211.13252	62.9
211.15263	3.0
212.13737	1.3
214.06575	1.3
215.14171	1.5
219.13730	1.7
223.13255	2.3
227.12726	14.2
229.14268	10.6
229.19446	2.4
239.17953	3.5
243.15871	2.5
247.20584	2.2
253.14287	2.7
255.15729	6.7
257.18976	8.2
267.15839	28.6
269.17416	7.4
273.18430	5.5
275.16928	2.2
275.19995	38.3
276.20276	2.4
283.15311	3.0
285.16913	49.1
286.17242	3.1
291.19516	9.0
293.21042	3.8
299.14685	1.9
301.16403	31.1
308.16129	1.3
331.22516	1.7
349.23666	52.6
350.24020	2.3
357.17136	1.3
365.22968	4.0
367.24631	1.5
381.22760	3.1
413.21454	1.4
421.25632	4.8
423.27209	2.4
435.27423	1.8
439.26889	19.2
445.29773	1.8
447.27036	1.6
453.28149	3.7
455.26178	2.3
463.30331	5.3
465.28351	2.9
471.26041	2.6
477.28622	2.8
479.29883	4.3
481.27670	4.9
495.29315	13.7
529.19257	1.7
541.35217	12.4
557.34412	2.0
559.36188	36.4
560.36462	3.3
575.35614	15.1
576.35626	1.6
577.37042	5.6
593.36774	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.6
55.05502	10.8
56.05027	0.8
57.03433	4.1
57.07054	1.2
58.06593	0.6
60.08157	7.0
61.46097	0.4
65.03912	1.3
66.87170	0.4
67.05495	25.2
69.03395	1.2
69.07059	14.3
69.28612	0.5
69.37297	4.1
71.04968	1.7
71.07368	3.6
71.08610	0.5
79.05480	18.2
81.02953	0.4
81.03405	2.1
81.07045	30.5
82.60283	0.4
83.04971	2.8
83.08604	5.6
85.06504	1.3
86.09690	31.8
87.10021	3.5
91.05468	23.3
93.07030	20.1
93.07560	0.4
95.01311	3.3
95.04955	5.1
95.08595	22.1
97.05910	0.5
97.06516	10.4
97.10151	3.3
98.98450	3.9
99.08078	0.8
103.05422	0.7
104.10725	3.1
105.04514	0.6
105.07015	29.5
106.07220	0.4
107.04942	7.0
107.08580	9.1
109.06503	2.4
109.10139	5.9
111.04470	0.5
111.08044	1.1
115.05432	1.0
117.06996	7.2
119.08566	15.2
121.06462	1.0
121.10124	6.7
123.04417	0.9
123.07990	2.3
123.11670	1.6
124.99989	22.7
125.09601	0.5
126.00318	1.5
128.06189	0.6
129.06972	1.6
131.08551	9.3
133.06483	0.7
133.10106	15.9
135.08012	1.7
135.11684	4.4
137.09595	1.3
139.07520	0.6
141.06955	0.7
142.07814	0.5
143.08528	1.5
145.06482	1.0
145.10094	7.0
147.08018	0.6
147.11668	7.0
149.09576	2.0
149.13211	2.2
151.11143	0.7
155.08521	0.6
157.10077	1.5
159.11659	4.2
161.09558	0.7
161.13219	2.5
163.11169	1.7
163.14752	0.5
169.10085	1.4
171.11693	0.8
173.13266	2.1
177.12740	1.1
179.14281	3.8
183.11633	1.5
184.07310	100.0
185.07657	14.9
185.13342	0.6
186.07729	1.5
187.11151	1.2
187.14897	0.7
197.13242	0.7
219.17403	7.4
239.18036	0.9
247.20589	0.8
257.18948	2.2
275.20026	29.3
276.20422	0.8
279.15948	0.5
289.18076	0.6
293.20996	2.1
311.25912	0.6
317.24484	0.7
331.22675	0.5
335.25748	34.3
336.25925	0.9
349.23657	12.3
436.59091	0.6
459.91733	0.5
484.19321	0.5
571.39459	0.7
599.43756	0.7
609.45032	64.4
610.45935	2.5
617.43903	6.3
627.45520	0.7
691.47491	1.4
771.53033	1.2
789.54413	5.0
790.55499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.9
55.05254	1.9
55.05502	24.3
57.03429	7.2
57.07069	2.2
61.02900	1.0
65.03923	2.0
67.01854	10.5
67.05495	17.9
68.99793	4.1
69.03419	11.5
69.06712	2.1
69.07060	24.1
70.16654	4.5
70.85748	1.1
71.01326	1.2
71.04984	10.3
77.03915	1.3
79.05480	20.6
81.03409	27.2
81.07047	37.4
82.03728	1.7
82.07349	1.1
83.01340	1.8
83.04972	8.5
83.08616	7.1
84.08931	1.1
85.02895	16.2
85.06525	3.6
87.04465	2.0
87.23159	1.0
91.04939	2.0
91.05467	18.4
92.05794	1.9
93.07030	38.3
95.04951	15.0
95.08595	26.9
97.02888	5.0
97.06506	7.6
97.10159	34.9
98.10427	1.1
99.04447	2.9
103.05484	2.1
105.07019	17.6
107.04946	7.3
107.08584	25.3
108.08908	1.1
109.02863	14.9
109.06508	5.9
109.10147	20.6
109.10856	0.9
110.10457	1.8
111.04406	5.1
111.08070	3.7
111.11701	3.8
117.06995	4.5
119.04935	6.4
119.08565	17.7
121.02843	2.0
121.06487	9.7
121.10128	27.5
122.10498	1.2
123.04417	5.7
123.08048	6.2
123.11671	7.5
124.94630	1.2
125.02316	1.8
125.05972	1.4
125.09620	11.1
127.03905	9.0
129.01823	2.2
129.07005	3.7
131.04924	2.0
131.08578	6.5
133.06502	2.2
133.10120	12.7
133.99744	1.1
135.04404	2.1
135.08011	5.3
135.11673	17.9
137.05974	1.5
137.09567	6.5
137.13243	1.9
139.03859	3.1
139.11157	12.2
143.08469	2.0
143.10646	10.1
145.06439	1.8
145.10100	14.1
145.17801	1.1
146.10428	1.5
147.04387	28.8
147.08022	3.0
147.11678	10.7
149.09613	6.2
149.13222	4.9
151.03874	2.6
151.07535	2.5
151.11150	3.3
153.01802	86.9
153.09111	1.4
153.12714	3.8
154.02225	1.7
155.08556	1.5
157.10152	6.9
157.12221	4.9
159.08032	3.1
159.11653	7.6
161.09612	3.6
161.13194	3.0
163.03833	2.2
163.07509	1.7
163.11150	14.8
163.14908	2.2
164.11540	1.4
165.01807	3.9
165.09091	5.6
165.12729	2.5
167.06931	1.3
167.10611	2.6
171.02864	82.0
171.11630	2.5
172.03242	1.8
173.06097	1.4
173.09673	1.2
173.13257	3.2
175.11142	6.4
175.14742	2.7
177.01782	5.6
177.05431	1.6
177.09029	1.3
177.12747	2.3
179.03394	3.7
179.10635	2.6
179.14241	1.4
181.12202	10.0
183.02885	4.8
183.11775	1.2
184.07413	3.0
185.09680	1.4
185.13295	2.1
187.11151	1.4
187.14812	1.5
189.11220	2.4
189.12711	2.6
191.03401	4.6
193.12173	7.2
194.12595	1.4
195.02867	40.3
195.11707	1.3
195.13774	2.1
199.11186	1.1
199.14914	1.3
201.16368	1.3
203.14365	1.9
211.13217	8.2
212.13603	2.7
213.16232	1.6
215.03337	3.0
219.02911	8.8
219.13811	1.2
227.12717	1.2
229.14299	1.7
243.02863	3.9
243.13893	1.2
255.21324	1.9
261.03870	12.6
265.19321	1.2
267.15854	2.2
268.16302	1.5
273.07532	100.0
273.22055	4.5
274.07742	2.5
275.20047	3.5
279.05164	1.2
283.15387	3.4
283.20602	2.7
284.15860	1.2
285.07510	2.6
285.16916	9.0
286.17111	3.4
289.18008	1.3
289.21509	2.3
291.23203	4.5
297.07507	3.9
301.21643	14.7
307.22537	2.3
309.07602	1.3
315.08572	13.9
319.22620	12.1
337.23703	6.0
339.08411	10.4
347.22269	1.3
363.08582	6.8
379.24503	1.6
381.09634	11.9
381.22681	2.2
399.10556	1.9
403.24658	1.7
409.23694	1.4
415.24857	1.7
417.26382	1.8
419.24435	1.3
427.25006	5.4
433.25775	1.7
437.25034	2.5
445.25458	5.2
451.26697	1.8
463.26880	19.5
475.27173	2.0
476.27213	4.6
481.27722	11.0
493.27881	9.0
494.28223	11.8
499.29077	1.2
557.04163	1.2
574.34253	1.8
592.35437	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	789.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.3
55.05502	25.6
57.03434	3.7
57.07061	1.5
59.04976	0.9
65.03912	1.4
67.01855	8.6
67.05490	11.6
68.99783	2.8
69.03106	0.8
69.03423	7.8
69.06706	1.3
69.07057	16.6
71.04971	3.2
71.08624	0.9
71.62447	1.4
73.02885	1.0
79.05485	9.4
80.07388	0.7
81.02961	1.4
81.03405	15.4
81.07043	24.7
83.01308	0.7
83.04977	5.5
83.08594	4.7
85.02891	9.4
85.06544	5.0
86.09681	1.1
91.05473	9.6
93.07030	23.1
93.96574	0.7
95.04953	9.5
95.08595	27.9
95.72519	0.7
97.02890	5.7
97.06523	9.2
97.10158	42.1
99.04428	2.5
99.08068	1.0
103.03912	1.2
103.05487	1.4
105.03355	1.4
105.07023	11.6
107.04951	5.1
107.08581	20.2
109.02864	16.7
109.06519	4.8
109.09441	1.4
109.10140	19.7
111.00824	1.1
111.04417	4.4
111.07343	1.4
111.08066	18.4
111.11696	1.6
113.09673	0.8
115.03944	0.8
115.05497	0.8
117.06983	2.0
119.04941	6.8
119.08571	9.6
121.02872	2.5
121.06479	6.3
121.10133	16.9
122.10469	0.7
123.04407	6.9
123.08064	5.2
123.11693	8.2
125.02340	1.8
125.06009	1.1
125.08731	1.4
125.09606	20.5
127.03904	11.5
127.07603	0.9
129.01762	1.6
129.06993	2.2
131.04906	1.2
131.08536	4.3
133.06451	2.1
133.10107	7.6
135.04424	1.4
135.08011	3.2
135.11665	13.4
137.05960	2.5
137.09576	3.7
137.13220	1.2
139.03868	2.2
139.11171	8.7
141.05537	0.9
141.09088	2.1
142.07727	0.8
143.08598	2.0
143.10666	11.8
145.02756	0.8
145.06471	1.7
145.10101	5.8
147.04395	27.6
147.08023	1.4
147.11678	7.3
149.09618	5.8
149.13231	5.9
151.03847	3.8
151.07526	3.3
151.11127	5.8
153.01805	95.5
153.09102	1.2
153.12721	10.5
154.02121	1.6
155.08562	1.5
157.10106	2.6
157.12285	1.6
159.04454	0.9
159.08043	1.4
159.11678	4.0
161.05989	1.1
161.08261	0.9
161.09593	2.0
161.13232	2.1
163.03896	3.1
163.07504	1.2
163.11215	3.5
165.01797	3.9
165.05475	1.4
165.09105	3.6
165.12724	4.2
167.03375	0.9
167.07021	2.8
167.10675	14.1
167.14323	2.0
168.09369	0.8
171.02866	88.1
171.10254	1.3
171.11700	2.0
171.13712	3.9
173.06000	1.5
173.09615	1.0
173.11821	1.4
173.13240	3.1
175.07399	0.9
175.11151	3.8
175.14813	2.0
177.01859	3.8
177.05417	1.4
177.09085	1.3
177.12717	3.4
179.03304	2.9
179.10608	1.6
179.14221	0.8
181.04956	2.8
181.12238	1.4
183.02876	4.5
184.07332	1.4
185.09787	1.0
185.11703	12.5
185.13229	1.9
187.03885	1.8
187.07498	1.0
187.11118	1.2
187.14792	2.3
189.01888	1.2
189.05525	1.0
189.09393	0.9
189.11176	4.3
189.12714	1.5
191.03384	5.2
191.07054	1.1
193.04977	1.0
193.12198	2.9
195.02869	32.2
199.14781	1.2
201.12698	1.4
203.03329	1.3
203.10829	1.3
203.12628	1.5
203.14346	1.4
205.04836	1.1
206.47255	0.7
207.02917	1.7
209.13403	0.8
211.13123	1.0
215.03380	2.4
217.04935	0.9
219.02826	6.2
219.13817	1.1
221.15327	1.2
223.13153	1.3
231.06546	1.0
233.04367	1.4
233.15260	0.9
237.14862	1.0
237.18481	0.9
243.02849	5.2
243.13873	1.4
245.04317	1.1
245.15346	1.3
249.14807	1.3
251.12691	0.8
255.12643	0.8
257.04489	1.1
261.03909	10.1
261.14755	1.5
271.06042	1.0
273.07538	100.0
273.22049	1.5
274.07855	2.7
283.20490	1.2
285.07568	4.4
287.05585	1.5
289.06992	1.7
291.23013	1.8
293.13864	1.8
297.07611	5.1
301.21494	5.3
307.22348	0.8
309.07477	0.8
311.14819	12.0
315.08603	10.6
315.14426	1.2
317.21078	1.1
319.22614	10.7
325.10715	0.9
329.15918	3.4
337.10550	1.6
337.23657	4.8
339.08618	7.8
355.11612	1.2
363.08575	8.3
379.24918	1.3
381.09525	9.2
399.10458	1.6
403.24716	0.9
408.60275	0.8
421.25903	1.6
427.24854	3.8
439.26700	1.5
445.25903	8.5
451.27081	1.8
454.19440	0.8
463.26880	13.1
481.28021	9.9
499.28839	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.7
57.07055	0.1
58.06609	0.5
59.07381	0.2
59.65022	0.1
60.08152	6.2
60.67435	0.1
61.08470	0.1
67.05486	0.1
69.07051	0.1
70.06575	0.1
71.07359	3.1
72.08143	0.1
79.05478	0.2
81.07032	0.2
86.09690	30.7
87.10017	0.3
88.25494	0.1
91.05458	0.1
93.07028	0.1
95.08584	0.1
98.98444	3.0
104.10727	3.0
111.34210	0.1
118.54957	0.1
118.96783	0.1
119.08579	0.1
119.79317	0.1
124.99982	21.1
126.00328	0.1
143.00998	0.3
161.86668	0.1
166.02663	0.2
184.07306	100.0
185.07663	1.2
198.33978	0.1
229.32928	0.1
345.10950	0.1
380.05429	0.1
496.33923	0.2
503.49832	0.1
542.38757	0.1
676.45343	0.1
690.46838	1.4
691.46625	0.1
730.50171	0.1
752.52155	0.2
770.52997	1.0
788.54187	4.7
789.54669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.4
58.06332	0.2
58.06612	0.5
60.08154	5.6
67.05493	0.2
69.87464	0.6
69.87867	0.5
71.07367	3.0
76.76110	0.2
79.05478	0.4
81.07030	0.4
83.08624	0.2
86.09692	29.1
87.10018	0.7
91.05466	0.2
93.07050	0.3
98.98454	2.8
104.10720	2.3
107.08607	0.2
109.10110	0.3
118.34645	0.2
124.99984	20.9
126.00282	0.3
143.01053	0.3
156.65511	0.2
166.02580	0.3
184.07312	100.0
185.07669	2.8
186.07770	0.7
238.62700	0.2
594.47662	0.2
599.91870	0.3
702.46283	0.5
754.52820	0.9
770.52271	0.4
788.54089	5.5
789.53491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.2
56.05024	0.8
57.07049	0.2
58.06344	0.1
58.06605	0.3
59.07399	0.1
60.08149	6.3
67.05500	0.5
67.05774	0.1
67.24035	0.1
68.43771	0.1
69.07029	0.3
70.06564	0.2
71.06041	0.3
71.07352	3.3
71.08605	0.1
79.05468	0.5
81.03391	0.1
81.07027	0.7
83.04939	0.3
83.08588	0.2
86.09685	30.5
87.09988	0.2
91.05452	0.3
93.07017	0.5
95.04906	0.2
95.08579	0.4
98.98438	3.1
99.04443	0.1
104.10719	2.7
105.06998	0.2
107.03957	0.1
107.08552	0.3
109.06535	0.1
109.10095	0.3
114.39633	0.1
117.06992	0.2
119.08562	0.3
119.53606	0.1
121.10150	0.2
122.55163	0.1
124.99976	20.6
125.09597	0.1
133.10085	0.2
138.15622	0.1
143.01010	0.5
143.16881	0.1
145.10100	0.1
147.11655	0.1
159.11682	0.2
166.02596	0.3
173.13251	0.1
184.07295	100.0
185.07675	1.1
275.19968	0.2
393.04675	0.1
400.40344	0.1
467.37640	0.1
496.33896	0.2
572.59888	0.1
609.44983	0.2
676.44745	0.2
690.47076	0.8
690.92401	0.1
770.53040	1.8
771.53595	0.2
788.39197	0.2
788.54248	3.9
789.54456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.1
55.05486	0.5
56.05021	0.8
57.07049	0.2
58.06329	0.2
58.06586	0.3
59.07387	0.2
60.08154	7.2
67.05492	1.4
69.07047	0.5
71.03785	0.1
71.04939	0.2
71.07362	3.3
71.08615	0.2
74.90928	0.2
78.91336	0.1
79.05491	1.1
80.86593	0.2
81.03419	0.2
81.07037	1.3
83.04980	0.3
83.08601	0.3
85.02904	0.2
86.09691	33.9
87.10012	0.4
91.05478	0.7
93.07028	1.2
95.04937	0.2
95.08603	0.9
97.06509	0.2
97.10165	0.2
98.98447	2.9
104.10729	2.5
105.07021	0.7
107.08578	0.5
109.06432	0.2
109.10149	0.5
117.06988	0.4
119.08593	0.5
121.10146	0.3
123.11736	0.2
124.99984	21.1
125.09621	0.2
131.08589	0.3
133.10127	0.3
135.11702	0.3
143.01045	0.4
145.10098	0.2
147.11661	0.3
151.85402	0.2
155.87799	0.2
157.10094	0.2
159.11681	0.4
166.02626	0.3
184.07307	100.0
185.07626	1.4
201.16643	0.1
275.19983	0.4
335.25803	1.1
335.91248	0.1
349.23514	0.2
496.34375	0.2
609.45209	0.4
625.03210	0.2
643.88641	0.2
770.53186	5.1
771.53748	0.4
788.54236	7.3
789.54736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01617	0.8
55.01866	12.9
55.05504	19.3
57.03429	10.9
57.07071	2.3
58.61466	0.5
59.04995	1.2
60.08160	1.2
61.02913	2.0
65.03934	1.4
67.05495	42.1
68.02635	0.7
68.05843	1.0
69.03426	5.5
69.07059	21.5
71.01340	0.8
71.04983	5.1
71.07382	0.7
73.02900	1.6
77.03909	0.5
79.05483	32.4
80.05807	0.8
81.03408	39.8
81.07045	49.1
82.03719	0.6
82.04173	1.3
82.07373	0.9
83.04971	12.7
83.05449	1.0
83.08607	13.9
84.97496	0.5
85.02876	3.2
85.06519	3.8
86.09702	5.6
87.04459	1.0
91.03937	1.2
91.05470	47.9
92.05807	1.1
93.03421	0.7
93.07030	32.9
94.07344	0.7
95.01324	4.2
95.04957	22.1
95.08591	19.3
97.02857	3.6
97.06519	14.4
97.10148	5.9
98.07323	1.2
98.62095	0.6
99.04443	2.6
99.08087	1.6
103.03941	0.6
103.05471	1.8
105.04532	0.9
105.07018	52.5
106.07339	1.2
107.04945	13.9
107.07848	1.3
107.08579	26.1
109.02869	0.9
109.06518	6.4
109.10143	27.9
110.10417	0.7
111.04422	1.6
111.08064	6.2
113.06011	1.3
113.09626	0.7
115.05437	1.5
116.04716	2.2
117.05608	0.4
117.06996	12.1
119.04942	1.1
119.08568	26.0
120.08918	1.0
121.06485	6.5
121.10123	9.9
123.04424	2.0
123.08069	5.8
123.11673	5.0
124.99993	4.5
125.09605	4.7
127.03870	0.6
127.07553	1.2
128.06216	1.4
129.05482	5.1
129.06985	8.3
130.07845	0.7
131.08548	14.7
133.06467	3.7
133.10114	48.3
134.10440	1.0
135.08029	5.5
135.11664	7.1
137.05946	0.8
137.09605	3.8
139.03816	0.5
139.07553	0.8
139.11140	0.8
141.06966	1.4
142.07785	1.5
143.07007	0.9
143.08539	4.0
143.10603	0.5
145.06477	1.8
145.10101	11.6
146.07289	0.5
146.10632	0.7
147.08029	3.5
147.10480	0.7
147.11662	12.7
147.12767	0.9
148.12051	0.6
149.09616	7.4
149.13283	2.2
151.07631	0.6
151.11162	15.5
151.12318	1.1
153.12737	0.8
155.07190	0.4
155.08549	1.6
157.08623	2.5
157.10126	7.7
159.08070	1.4
159.11671	7.4
160.11919	0.5
161.09592	3.9
161.13229	3.2
163.07507	0.8
163.11160	5.3
165.09056	1.4
165.12750	1.7
169.10156	1.5
169.12183	2.4
171.10220	1.2
171.11691	3.1
173.09615	1.2
173.11836	0.9
173.13292	1.5
175.11179	7.3
177.09081	0.8
177.12730	1.9
179.10684	1.2
179.14296	5.5
181.10127	0.7
181.12233	0.6
183.11691	1.4
184.07312	18.8
185.13283	1.8
187.11237	1.4
187.14815	0.7
189.11188	1.3
189.12694	1.2
191.10672	1.1
193.12233	8.5
195.11633	0.7
195.13811	0.8
197.08220	0.5
197.13269	1.1
199.11320	0.6
199.13292	1.7
199.14944	0.6
201.12744	0.7
201.16504	0.6
203.14262	0.7
205.12273	0.9
207.13843	0.8
209.11748	2.1
210.12383	0.9
211.11372	0.7
211.13300	1.9
215.12796	2.1
216.29395	0.5
219.17540	0.8
223.13196	0.6
227.12820	2.3
229.14276	0.9
229.19461	0.7
233.15457	0.5
239.18045	0.6
245.19099	2.0
249.14809	1.0
250.39134	0.5
251.12880	0.8
253.14317	40.7
254.14642	1.6
255.15764	0.6
257.19016	1.4
263.20038	1.8
267.15881	36.9
268.16354	0.9
271.15234	2.4
273.18463	11.3
275.20020	21.9
276.20361	0.8
279.16052	0.7
281.17770	0.5
283.15375	1.9
285.16956	1.6
291.19501	10.8
292.19528	0.7
293.21143	2.0
301.16449	13.5
309.20648	1.0
347.22235	3.0
349.23672	16.4
350.24094	1.0
365.23184	10.8
366.23718	0.8
378.58987	0.5
395.24265	0.8
447.27011	1.0
461.29318	0.6
463.26471	0.7
479.25836	0.8
497.27170	3.7
514.36365	0.8
519.33295	0.8
541.35199	100.0
542.35468	7.2
543.36804	1.0
557.34644	1.0
559.36462	3.5
573.33746	2.4
574.34668	0.7
583.36163	1.3
587.01038	0.6
591.35144	18.5
592.35400	1.9
609.36127	0.8
626.44714	1.8
788.50275	0.9
789.40314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.4
55.05503	32.4
57.03181	1.2
57.03434	19.9
57.07066	2.7
57.94776	1.1
59.05004	3.2
59.71448	1.1
60.08146	4.6
62.82135	1.2
65.03930	4.8
67.05496	100.0
69.03429	6.1
69.07058	24.3
69.07439	1.4
70.21882	2.3
70.22273	3.1
71.01342	2.7
71.04973	8.7
71.07369	1.6
73.02927	2.1
73.06541	1.3
75.91769	1.2
77.03928	1.2
79.05483	83.0
81.03408	20.9
81.07047	82.3
81.07434	1.1
82.07393	1.4
83.04974	21.8
83.08611	20.1
85.02894	6.0
85.06504	6.2
86.09693	16.6
87.04450	1.7
91.05469	70.5
93.07030	77.8
94.04150	1.3
94.07333	1.7
95.04958	37.0
95.08596	43.1
97.02873	5.8
97.06525	15.7
97.10144	13.0
98.98441	1.6
99.04426	1.4
99.08079	2.2
103.05457	2.8
104.10660	1.7
105.04528	2.0
105.07018	59.5
107.04948	24.2
107.08581	42.8
109.02853	1.4
109.05790	1.5
109.06516	17.2
109.10144	45.1
109.10889	2.2
110.10482	1.8
111.04433	4.7
111.08052	7.3
112.05218	1.6
113.05978	2.8
115.05439	3.4
115.62672	1.0
117.07001	18.7
119.04932	2.1
119.08568	39.5
120.05715	1.1
121.06496	9.5
121.10132	18.0
122.07276	3.4
123.04419	1.9
123.08076	7.1
123.11693	4.8
124.99988	12.7
125.09558	7.1
127.07571	1.4
128.06198	4.8
129.05498	2.3
129.06985	19.3
130.07770	1.6
131.04924	1.2
131.08548	17.3
133.06476	7.4
133.10110	30.0
135.08052	8.4
135.11679	12.8
137.06059	1.4
137.09592	4.1
139.07581	1.2
141.06940	3.2
142.07721	1.2
143.08551	10.8
145.06476	3.7
145.10101	18.4
147.08049	10.1
147.11674	34.2
149.09590	10.6
149.13263	8.2
151.07581	1.2
151.11182	6.3
153.09111	1.3
155.08487	2.7
155.10593	2.2
156.09402	1.5
157.06441	1.1
157.10118	7.6
159.08051	1.5
159.11659	10.1
161.09625	9.4
161.13245	11.6
162.10274	1.4
163.11211	7.0
165.09106	1.8
165.12680	1.6
169.10161	1.9
171.11653	20.2
173.09541	3.3
173.11723	7.2
173.13289	3.9
175.11116	5.4
175.14796	1.3
177.12749	3.7
179.14265	2.2
181.12167	1.7
183.11734	2.2
184.07320	55.2
185.13390	2.5
187.11145	3.9
187.14809	1.6
189.11212	3.1
189.12726	7.9
193.12215	9.1
195.13806	2.1
197.13263	2.2
201.12717	1.4
203.14331	1.6
205.11957	1.1
205.15872	1.3
207.13795	14.7
209.11687	2.7
211.13306	10.3
215.14438	1.8
227.12796	10.2
229.14340	22.1
232.92430	1.2
233.15353	3.3
241.14256	2.5
249.14879	1.9
251.16287	1.3
253.14273	3.1
257.19019	6.1
267.15948	8.7
269.17422	11.8
273.18405	4.9
275.20013	26.6
279.15829	2.6
281.17432	43.3
283.15396	3.3
285.16904	11.7
289.17892	4.5
290.18671	4.9
291.19473	8.6
293.21140	1.8
299.14920	7.2
301.16467	4.1
307.18954	3.6
331.22690	2.5
347.22052	2.7
349.23654	18.1
365.23370	3.5
367.24808	5.6
369.15390	1.5
381.22769	9.0
418.27158	1.1
435.27396	84.4
436.27682	4.0
451.26877	2.2
457.29410	1.7
461.28812	1.4
475.30502	71.6
476.30719	4.1
493.27805	6.7
517.31354	1.7
533.31158	1.8
537.35699	3.6
539.33630	2.2
555.36853	59.7
556.36841	4.2
557.34552	1.9
573.35858	18.9
574.34662	2.3
579.31458	1.7
591.35205	29.5
592.35553	3.2
619.34277	3.8
704.31042	1.3
788.44873	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01611	1.0
55.01864	11.6
55.05504	16.6
55.63925	0.5
57.03428	11.4
57.07059	2.4
59.04998	0.9
61.02913	2.4
65.03922	1.9
67.05494	44.3
68.02612	0.6
68.05824	0.7
69.03410	5.5
69.07055	17.6
71.04985	4.9
71.22770	0.5
73.02897	2.4
73.06523	0.5
77.03903	0.7
79.05482	30.8
80.05824	0.8
81.03406	36.4
81.07043	42.7
82.03719	0.7
82.04182	1.6
82.07353	0.6
83.04476	0.7
83.04966	10.9
83.08602	11.5
84.05782	0.5
84.96252	0.5
85.02888	4.0
85.06532	3.9
86.09693	2.5
91.05466	44.5
93.07029	32.5
94.04176	0.6
95.01331	3.0
95.04955	18.9
95.08591	20.9
97.02885	4.2
97.06516	12.3
97.10151	6.1
98.07293	1.9
99.04441	1.6
99.08073	1.6
101.06020	0.6
103.05449	1.5
104.10734	0.7
105.07013	46.7
107.04935	11.8
107.08578	23.8
109.02880	1.1
109.06500	7.0
109.10139	28.6
110.10465	0.7
111.04434	2.4
111.08064	7.2
113.06003	1.8
115.05437	1.1
116.04693	3.8
117.07008	8.8
119.04945	0.6
119.08561	24.4
121.06498	4.5
121.10117	8.9
123.04410	2.4
123.08043	5.6
123.11680	4.4
124.99980	1.7
125.05917	1.0
125.09592	6.0
126.39754	0.5
127.03925	0.9
127.07527	1.4
127.11237	1.0
128.06236	1.0
129.05473	7.4
129.06956	6.4
129.07770	0.6
131.08539	17.1
131.09496	0.9
133.05544	0.8
133.06487	3.6
133.10109	45.9
134.10417	0.9
134.39473	0.5
135.08032	5.3
135.11667	7.6
137.09579	2.9
139.03914	0.6
139.07503	0.6
141.06992	1.9
142.07787	1.4
143.07043	1.9
143.08539	3.5
143.10678	0.6
145.06488	1.4
145.10100	11.2
147.08015	4.0
147.11665	12.0
149.09592	9.0
149.13280	1.5
151.11156	17.0
151.12332	1.0
153.09079	0.6
153.12712	1.2
155.08565	1.1
157.08600	3.9
157.10110	7.2
159.08046	1.2
159.11655	5.8
161.09610	4.8
161.13264	2.8
163.11168	4.6
165.09108	2.0
165.12708	1.4
169.10150	1.9
169.12186	3.8
171.06543	1.4
171.10208	1.3
171.11668	3.1
173.09567	1.1
173.11745	1.0
173.13251	1.7
175.11154	5.8
177.09103	1.6
177.12755	2.0
179.10658	1.5
179.14233	4.1
180.25299	0.6
181.12222	1.2
183.11749	1.7
184.07318	9.4
185.13232	1.5
187.11176	1.6
187.14882	0.8
189.11189	2.5
189.12698	1.2
191.10652	1.5
193.12199	8.4
195.11720	1.3
195.13718	1.1
197.08156	0.8
197.13173	1.4
199.11403	0.8
199.13333	2.2
200.14021	0.7
205.12134	0.7
207.13841	1.1
209.11737	2.4
211.13068	2.5
211.14996	1.0
215.12717	1.2
223.13216	0.8
227.12727	3.8
227.17975	0.6
229.14362	1.0
230.15414	0.6
233.15247	0.6
239.18025	0.8
245.19049	2.2
247.20549	0.8
249.14784	0.7
251.12837	1.1
253.14310	42.7
257.19058	1.5
259.20709	0.6
263.20081	1.9
267.15872	41.3
271.15311	3.3
273.18454	10.9
275.20016	19.6
279.15860	0.8
281.17413	1.4
283.15289	2.8
285.17035	1.6
289.17892	0.7
291.19519	11.6
292.19168	1.1
293.21054	1.3
301.16409	27.9
325.16354	0.8
347.22134	4.3
349.23669	13.2
353.19455	0.7
365.23178	12.9
395.24304	1.1
419.53104	0.6
425.24408	0.7
461.29001	0.7
463.27011	1.2
465.20944	1.0
475.30762	0.6
479.26166	0.7
497.27390	11.7
513.35529	0.6
514.35840	0.7
541.35181	100.0
542.35339	1.9
557.34363	1.3
559.36255	3.0
573.33868	3.0
575.35931	0.9
591.35095	23.1
608.44006	1.9
609.36169	0.7
618.33954	0.8
625.43909	1.0
626.44739	3.9
743.35797	1.3
788.49902	2.0
789.40179	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	25.6
55.05503	49.1
57.03177	1.8
57.03431	24.0
57.07067	3.6
59.04995	4.0
60.08139	1.6
61.02916	8.3
63.42148	1.2
65.03934	5.1
67.05495	80.4
69.03420	13.1
69.07058	65.9
71.01345	2.4
71.04992	6.6
71.07364	1.5
73.02905	4.5
78.57148	1.0
79.05480	68.2
80.05798	1.4
80.06261	1.8
81.03403	28.7
81.07043	70.9
82.04180	3.4
83.01321	8.6
83.04971	26.7
83.07193	1.0
83.08602	27.5
84.02129	1.1
85.02898	12.5
85.06543	4.4
86.09702	9.1
91.03952	2.7
91.04889	2.0
91.05466	60.6
93.07027	72.7
95.04955	26.7
95.08591	45.4
97.02872	18.3
97.06519	18.4
97.10151	21.4
98.07294	3.2
99.04430	4.3
99.08080	3.5
101.06003	1.3
103.05465	2.2
104.10722	1.2
105.04507	1.1
105.07017	44.2
107.04939	21.4
107.08578	39.1
109.02876	3.1
109.06491	11.2
109.10138	26.5
111.04430	4.6
111.08083	7.9
113.09618	1.1
115.05451	1.8
116.04699	8.0
117.06992	22.0
119.04892	2.0
119.08566	39.5
120.05672	1.2
121.06487	9.8
121.10124	19.1
123.04395	2.5
123.08042	16.8
123.11690	4.0
124.99971	6.1
125.05996	2.5
125.09603	21.4
127.03893	4.3
128.06158	1.4
129.05478	19.9
129.06956	9.0
130.07762	2.4
131.04890	1.7
131.08545	17.6
133.06477	5.7
133.10106	23.4
135.08067	8.7
135.11670	18.4
137.09590	16.6
139.11172	2.0
140.72255	1.1
141.06966	1.6
143.07024	5.7
143.08549	6.7
143.10680	1.6
144.09250	1.3
145.04933	1.4
145.06462	3.1
145.10098	32.4
147.08044	8.5
147.11671	11.2
149.09612	18.5
149.13237	3.9
151.11182	4.2
153.09036	1.6
153.12703	2.8
155.08553	3.3
157.08586	12.4
157.10118	8.2
159.08037	2.0
159.11661	9.2
161.09607	4.7
161.13220	5.4
162.10371	2.3
163.11157	34.1
165.09151	2.6
165.12779	1.5
169.10107	2.4
171.06610	1.4
171.10150	4.5
171.11691	4.5
173.09541	5.2
173.11748	6.4
173.13261	4.4
175.11192	6.6
177.12755	3.6
179.10704	1.5
179.14319	3.8
181.12250	4.9
183.11705	3.0
184.07300	29.6
185.11711	1.5
187.11156	1.8
189.11182	12.2
189.12704	2.1
191.10634	6.1
191.36414	1.2
192.42795	1.1
193.12233	6.2
195.13863	2.2
199.11617	1.4
199.13156	5.6
201.12810	1.4
205.12236	2.5
209.11690	11.5
210.12450	1.3
211.13263	4.0
215.17938	1.2
223.13252	18.0
227.12741	21.0
229.14256	5.9
229.19438	2.3
229.24937	1.3
239.17831	1.9
243.15826	1.3
245.19083	2.5
247.20612	2.2
249.14824	3.5
253.14322	1.9
257.18958	7.1
263.20114	1.5
265.14362	2.1
267.15891	9.7
273.18478	17.9
275.20035	21.6
283.15347	67.1
284.15952	2.2
291.19498	100.0
292.19717	1.2
293.21182	2.2
299.19882	1.4
301.16415	48.1
321.24091	2.1
346.96997	1.5
347.22028	2.8
349.23642	37.6
365.23184	43.7
379.21106	7.8
437.25333	26.6
438.25876	1.4
451.26639	4.9
453.24777	1.6
461.28867	10.5
463.26813	2.3
477.28134	3.1
498.04056	1.1
505.28076	1.5
519.33075	2.4
539.33862	3.0
557.25897	2.0
557.34668	52.2
573.34161	5.5
574.34967	5.7
575.35437	9.0
591.35205	53.9
592.35883	2.0
762.43311	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	20.7
55.05256	2.3
55.05503	31.7
57.03428	17.7
57.07081	6.6
59.04979	1.8
60.08149	3.4
60.85925	1.2
61.02896	5.8
65.03928	5.8
67.05495	82.6
68.05826	1.7
69.03416	18.7
69.07058	46.0
71.04976	9.9
71.08595	2.3
71.23166	2.6
72.39684	1.3
73.02901	3.6
76.19098	1.5
77.03888	1.9
79.05480	73.5
80.05838	1.4
81.02921	1.8
81.03406	53.5
81.07044	100.0
82.07368	2.3
83.04967	15.5
83.08607	17.8
85.02891	13.8
85.06509	4.8
86.09695	11.7
87.04461	1.8
91.03946	2.4
91.05467	78.7
92.05762	2.6
93.07030	72.5
94.07304	1.6
95.01299	2.6
95.04959	17.1
95.08591	58.2
97.02871	15.3
97.06516	26.2
97.10168	8.2
97.23254	1.4
99.04476	6.7
99.08065	3.3
101.02383	1.9
103.05436	2.9
104.10730	1.5
105.07018	91.3
106.07316	3.2
107.04934	14.5
107.08575	48.4
109.02868	7.4
109.06509	11.1
109.10128	24.6
111.04429	2.7
111.08031	4.9
113.09547	1.3
115.05450	3.4
117.06992	30.5
119.08562	61.3
120.08914	1.4
121.06491	8.1
121.10130	32.9
123.04434	2.5
123.08035	6.8
123.11700	9.8
124.99969	8.8
125.09589	4.8
127.03902	9.6
128.06210	5.7
129.05431	3.8
129.06984	18.3
131.04877	2.1
131.08551	43.5
132.08818	2.0
133.06459	5.1
133.10106	50.3
135.08025	7.4
135.11670	20.9
137.09573	6.9
139.11227	1.6
141.06923	7.0
142.07733	2.8
143.08534	20.1
145.06459	4.8
145.09006	2.6
145.10103	34.1
146.10544	1.6
147.08018	5.2
147.11662	33.3
149.09589	10.4
149.13220	14.0
151.11159	4.7
153.06993	2.4
154.07692	1.9
155.08507	11.3
157.06474	2.2
157.10098	23.8
159.08025	2.0
159.11656	28.2
161.09572	5.1
161.13234	18.2
163.11136	7.5
163.14790	5.3
165.06981	2.4
165.09003	2.1
165.12695	5.5
167.08517	5.0
168.09268	2.5
169.10101	12.6
171.07964	3.0
171.10229	2.8
171.11632	19.5
172.12012	1.7
173.04434	19.6
173.09621	3.5
173.11790	1.7
173.13229	15.5
175.11136	3.8
175.14853	8.7
177.12708	5.8
179.08461	2.0
179.14249	6.1
180.09250	1.8
181.10002	7.0
183.08006	1.9
183.11627	13.6
184.07318	40.0
185.07661	5.0
185.09506	3.2
185.13245	15.8
187.11139	4.6
187.14818	7.5
189.12703	3.3
189.16315	3.8
193.10121	3.5
193.12172	2.5
195.11638	7.6
195.13528	2.9
197.11571	2.2
197.13255	11.5
199.11253	2.9
199.14775	7.2
201.12817	3.0
201.16258	3.1
205.10030	1.7
207.11633	4.1
207.13567	1.3
209.13242	5.9
211.11185	2.6
211.14787	6.0
213.12746	3.1
213.16403	1.6
215.14285	2.0
215.17899	3.2
219.11647	1.8
221.13307	3.4
223.14743	4.1
225.12791	1.7
225.16406	3.4
229.14211	1.7
229.19536	3.2
231.20885	1.6
235.14784	3.4
237.16397	3.1
239.17900	5.1
241.19531	16.1
245.19014	2.2
247.20575	2.2
253.14273	2.2
257.18985	7.3
259.20538	23.7
261.22122	3.8
263.20258	1.6
267.15842	7.3
269.17340	6.7
271.20270	1.6
273.18442	4.2
275.20047	35.7
275.23074	1.8
277.21738	2.2
283.20563	1.6
285.16809	1.8
289.21631	1.9
293.21005	2.2
297.21878	2.4
301.21643	3.0
313.21524	2.8
315.23038	5.5
325.21579	2.6
331.22787	2.1
333.24200	27.0
335.25986	9.9
337.25247	2.3
339.23099	3.0
349.23831	25.4
350.23999	3.1
353.24506	1.9
367.22592	2.4
385.23447	2.7
406.48730	1.6
411.20056	2.6
413.21655	3.7
435.32489	6.1
441.26230	2.5
487.34265	1.4
489.35181	3.1
501.36041	2.9
509.36002	3.3
513.35565	5.5
515.37646	4.8
525.35675	2.7
527.37244	27.4
528.37695	1.8
529.38947	2.0
533.39893	2.1
543.36646	2.9
545.38593	3.5
551.40906	2.6
553.38690	2.1
607.43481	54.9
608.43652	4.8
625.44525	41.9
626.44781	4.6
635.39148	4.2
649.43353	1.9
653.40057	6.7
671.41882	7.5
689.42206	13.8
690.42651	1.9
733.46234	2.8
751.46887	3.4
769.48407	6.4
787.49988	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	787.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	18.3
55.05498	26.6
57.03422	11.0
57.07056	3.2
59.04976	1.5
61.02911	1.8
61.13527	0.7
65.03925	2.8
67.05489	67.5
68.05817	3.0
69.03427	3.6
69.07050	40.3
69.67473	5.4
70.07390	1.1
71.04987	4.6
71.08590	1.6
71.50909	0.7
73.02908	1.2
73.38960	0.7
77.03905	1.2
79.05475	54.1
80.05804	1.5
81.03398	11.1
81.07037	69.6
82.07370	2.5
83.04959	8.6
83.08598	10.1
85.02877	3.3
85.06514	3.8
86.09684	3.1
91.05459	80.8
92.05797	2.1
93.07020	60.3
94.07353	1.9
95.01302	9.3
95.04938	12.9
95.08584	45.1
96.08916	1.9
97.02876	2.0
97.06509	31.1
97.07133	1.8
97.10159	3.7
98.06833	1.1
98.21391	1.1
99.04430	1.2
99.08043	2.2
103.03927	1.0
103.05432	2.4
105.07007	100.0
106.07366	2.6
107.04936	17.5
107.08566	30.1
108.08859	1.9
109.06484	7.8
109.10131	22.5
110.10466	2.4
111.04411	0.9
111.08049	4.4
113.05937	0.8
113.09625	1.3
115.05437	2.8
116.06302	0.8
117.06194	1.6
117.06987	22.7
119.04893	1.0
119.08553	58.8
120.08927	2.2
121.06508	4.2
121.10113	17.2
122.10448	1.1
123.04389	2.0
123.08028	5.5
123.11659	4.6
124.99995	2.0
125.09621	3.3
127.03876	1.3
128.06215	1.9
129.05432	1.0
129.06982	9.0
130.07794	1.6
131.08537	30.6
132.08904	1.7
133.06467	2.3
133.10101	53.9
134.10420	2.3
135.08034	4.4
135.11647	15.5
136.12029	0.7
137.09578	3.0
137.13200	1.1
139.07497	1.6
139.11160	1.6
140.74951	0.8
141.06978	3.4
142.07776	1.6
143.08530	9.8
144.09286	1.1
145.06476	3.1
145.10097	26.0
145.11279	1.3
146.10588	0.9
147.08014	2.2
147.11656	27.5
148.12019	1.1
149.09593	6.6
149.13229	8.2
151.11166	2.6
154.07730	1.0
155.08484	3.9
157.10101	8.4
159.08055	1.3
159.11656	20.0
160.12022	1.1
161.09607	2.2
161.13217	15.4
163.11143	4.6
163.14798	1.9
165.09132	2.4
165.12738	1.2
167.08543	1.3
168.09412	0.9
169.10081	4.7
171.10243	1.7
171.11638	11.4
173.09572	0.9
173.11707	2.9
173.13242	8.7
174.12140	1.4
175.11195	2.0
175.14738	7.2
177.12701	4.5
179.14275	11.1
181.10106	1.7
183.10295	1.0
183.11635	4.9
184.07294	8.6
185.09631	0.7
185.13235	7.5
187.11125	4.1
187.14780	3.3
189.12712	1.4
191.14282	1.2
195.11627	0.9
197.13248	3.3
199.14714	4.3
201.12828	1.2
201.16330	1.6
203.18030	1.1
205.12187	1.3
205.15909	0.8
207.13617	1.2
209.13254	1.2
211.14716	1.9
213.16348	2.5
215.17894	1.8
217.19458	1.8
219.17409	1.5
223.13217	1.7
229.14232	10.5
229.19449	1.4
230.14606	4.2
231.21100	3.0
233.15425	1.2
239.17911	3.2
241.14236	0.9
241.19456	15.2
241.21698	1.4
242.19728	0.8
243.21066	2.6
247.20589	2.4
249.16432	0.9
257.18985	7.2
259.20511	23.3
261.22141	2.7
262.22415	0.9
269.36377	0.8
273.18469	1.9
275.19998	62.8
276.20367	2.9
277.21600	1.8
279.15836	1.8
289.21912	0.8
293.21036	3.7
297.16873	3.1
297.22025	1.0
298.17389	2.3
313.21548	1.1
315.23071	9.7
331.22394	1.4
333.24142	46.7
334.24597	1.0
335.25702	9.6
336.26065	9.0
337.25677	0.8
349.23657	39.4
350.23965	1.6
435.32620	0.9
437.34265	2.1
483.34555	1.7
489.35605	2.5
490.35992	6.7
511.37595	2.4
513.35876	2.2
515.38623	0.8
533.39777	2.1
538.36310	0.8
540.37164	1.1
551.40741	1.2
554.19971	0.8
557.38605	1.5
558.38580	3.1
607.43408	67.2
608.43738	5.9
625.44562	17.2
626.34271	0.9
626.44733	1.5
715.45264	1.1
787.50293	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	787.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	15.0
55.05257	2.8
55.05504	41.1
57.03429	16.5
57.07058	6.4
59.04985	1.5
61.02915	18.0
62.08187	1.6
63.30939	1.6
65.03920	4.7
67.05494	100.0
68.05829	3.2
69.03416	19.5
69.07057	39.9
69.40336	16.1
71.04977	8.8
71.72633	1.6
73.02898	7.2
79.05479	60.3
81.03407	26.8
81.07044	83.8
82.07375	2.6
83.04968	13.8
83.08608	21.8
85.02892	18.8
85.06517	5.3
86.09726	2.7
91.03942	8.2
91.05465	62.9
92.05740	1.8
93.07029	74.0
93.07621	3.9
94.53404	1.9
95.04957	19.4
95.08591	57.9
97.02876	17.2
97.06524	18.4
97.10155	14.1
97.59605	1.7
98.21510	3.1
98.98507	1.7
99.04430	5.6
99.08070	3.4
103.05461	2.5
105.04518	3.0
105.07017	66.3
107.04949	9.8
107.08578	40.8
109.02856	7.0
109.06514	9.1
109.10134	38.6
110.10473	2.3
111.04421	2.7
111.08060	8.1
111.27789	1.6
115.05450	5.9
117.06994	30.7
119.08562	53.4
121.06480	5.7
121.10117	25.0
123.08044	8.2
123.11710	8.5
125.09602	9.9
127.03889	8.0
128.06200	6.8
129.05447	4.3
129.06982	25.2
130.07761	2.4
131.08543	45.7
133.06493	3.4
133.10107	40.1
135.08035	6.8
135.11665	16.9
137.09628	6.1
137.13304	1.9
139.11159	2.3
141.06978	10.8
142.07770	6.3
143.08543	31.3
145.06461	4.0
145.10097	40.3
147.08046	5.5
147.11679	21.4
149.09607	6.7
149.13214	10.0
151.11201	4.2
153.06987	2.8
153.09079	2.0
154.07747	2.6
155.08543	16.1
156.09267	3.6
157.10112	23.8
159.07980	3.9
159.11676	27.5
161.09619	5.4
161.13240	12.1
163.11177	5.9
163.14900	4.2
165.06982	4.3
165.12758	2.6
167.08530	8.7
169.10101	16.6
171.07938	2.1
171.11649	27.6
173.04480	7.2
173.09590	4.3
173.11694	5.1
173.13249	17.4
175.11176	3.2
175.14796	6.5
177.12767	4.4
179.08540	2.5
179.14323	3.2
181.10115	10.6
182.10966	2.6
183.11658	22.5
184.07320	6.5
185.09703	3.0
185.13268	14.9
187.11150	5.1
187.14819	9.1
189.11214	4.1
189.12718	4.6
189.16367	4.0
191.14285	1.9
193.10129	5.9
195.11693	11.4
197.09627	2.0
197.13254	17.8
199.14809	9.9
201.12798	3.1
201.16396	4.6
203.14308	2.0
207.11667	6.3
209.13255	11.7
211.11172	2.6
211.14796	11.2
213.12895	2.9
213.16379	5.8
215.17912	3.7
217.15892	2.9
219.11746	3.0
221.13222	4.3
223.14792	6.8
225.16357	3.5
227.12672	4.2
227.18031	2.8
229.14235	12.5
231.20956	2.6
235.14774	4.3
237.16396	4.4
239.17870	4.1
241.15863	2.6
241.19495	9.4
243.21091	2.8
247.14783	2.3
250.17340	1.8
251.17918	4.8
257.19101	5.4
259.20477	13.3
261.16388	1.9
261.21988	4.1
263.17868	2.6
269.17471	4.3
271.20612	3.1
273.18573	5.5
273.21777	2.0
275.17639	2.1
275.20123	17.8
276.20618	2.2
277.21838	2.2
283.20609	3.5
291.19437	2.6
293.21371	2.8
297.21851	2.8
301.21680	1.9
309.22064	2.4
315.23206	3.1
321.22009	2.4
325.25122	2.3
333.24481	9.4
335.25958	10.4
336.26074	5.5
341.24551	2.1
349.23685	6.6
353.24603	2.2
353.28827	2.3
375.25772	2.4
379.30222	2.3
395.29587	2.1
435.32315	3.0
439.32001	2.2
445.30688	2.5
453.33395	2.2
471.34790	2.8
489.35669	2.4
490.35590	2.3
499.34174	2.1
501.35272	3.4
513.35815	19.6
515.38135	6.3
527.37354	19.7
533.39539	6.2
537.35388	2.7
543.36554	2.1
545.38068	5.3
551.40564	6.7
557.37799	2.3
567.40369	4.2
589.42010	3.9
597.44818	5.1
607.43372	67.0
608.43109	5.2
609.45117	3.1
625.44525	91.7
626.44562	7.2
653.40570	2.5
667.45581	3.1
671.41284	2.9
689.41870	5.5
733.46393	3.9
751.47766	4.4
769.48505	9.7
787.49902	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	786.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05027	0.8
57.07056	0.1
58.06617	0.6
58.83097	0.1
59.07143	0.1
59.07385	0.2
60.08151	6.9
67.05474	0.2
69.07050	0.2
71.07359	3.3
71.22668	0.2
79.05471	0.2
81.07030	0.3
81.77145	0.1
86.09690	33.1
87.10023	0.3
91.05468	0.2
93.07021	0.2
95.08610	0.2
98.43728	0.1
98.98444	3.5
104.10722	3.4
105.07019	0.2
108.10600	0.1
119.08621	0.1
121.10129	0.1
124.99983	21.5
143.01041	0.4
166.02650	0.3
184.07307	100.0
185.07732	0.8
198.05803	0.1
198.57037	0.1
281.45355	0.1
286.97717	0.1
425.17093	0.1
471.65237	0.1
496.33844	0.2
522.61902	0.1
629.75433	0.1
768.51440	0.6
786.52637	9.6
787.53064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.2
56.05021	0.8
57.07040	0.2
58.06611	0.6
60.08149	6.7
60.18363	0.1
65.10438	0.1
67.05485	0.2
69.07043	0.1
70.10132	0.1
71.06964	0.2
71.07357	3.7
71.59106	0.2
71.59451	0.1
74.09695	0.1
80.97421	0.1
81.07025	0.4
86.09686	33.1
87.10011	0.2
91.05478	0.2
93.07048	0.1
95.04901	0.1
95.08597	0.2
98.98435	3.0
104.10720	3.1
105.07010	0.1
107.08533	0.2
109.10171	0.1
116.99470	0.1
119.08541	0.2
124.99975	21.7
126.00293	0.1
143.01048	0.4
166.02614	0.3
184.07298	100.0
185.07672	0.7
222.23251	0.1
288.06451	0.1
385.99942	0.1
496.34210	0.3
603.45520	0.1
768.51233	0.4
786.52600	10.3
787.52344	0.6
799.42413	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	787.497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	13.9
55.05496	43.6
57.03423	19.7
57.07049	6.2
59.04973	1.5
61.02906	15.8
65.03938	7.5
67.05489	100.0
68.05817	2.9
69.03413	22.1
69.07053	42.5
71.04981	11.7
71.08604	1.7
73.02897	7.7
79.05475	72.6
81.03400	40.3
81.07039	98.1
82.03674	1.7
82.07372	1.6
83.04966	12.2
83.08597	22.5
85.02886	20.4
85.06509	5.9
86.09709	8.8
87.04466	1.9
89.76394	1.3
91.03938	6.0
91.05460	75.9
92.05769	1.6
93.07020	75.3
95.04942	18.5
95.08591	63.3
97.02867	20.7
97.06511	19.0
97.10139	12.0
99.04428	6.7
99.08055	5.5
101.02354	2.6
103.05445	3.2
105.07006	68.5
106.07289	2.6
107.04935	11.5
107.08568	47.3
109.02852	9.7
109.06488	13.1
109.10136	33.4
111.04394	4.0
111.08053	9.0
113.02294	1.7
113.05942	1.9
115.05430	6.1
117.06987	32.7
119.08559	56.0
121.02831	1.4
121.06475	6.0
121.10121	30.7
123.04364	1.9
123.08055	8.3
123.11691	11.7
124.99991	6.1
125.09612	8.7
127.03912	9.0
128.06192	7.6
129.05431	4.9
129.06973	26.6
130.07759	5.3
131.04851	2.0
131.08545	44.6
133.06482	4.1
133.10097	39.8
135.08032	7.9
135.11655	18.6
137.09575	5.4
139.07425	1.7
139.11166	2.2
141.06935	11.6
142.07745	5.2
143.08528	32.2
144.09309	1.7
145.06490	5.0
145.10097	41.4
147.08008	6.6
147.11655	31.1
149.02303	20.8
149.09592	9.5
149.13261	9.7
150.02696	6.9
151.11127	2.8
153.06989	2.4
153.09068	2.1
154.07709	2.9
155.08524	18.0
156.09286	3.6
157.06516	2.0
157.10092	27.7
158.10762	1.4
159.08034	4.7
159.11662	29.9
161.09598	4.7
161.13228	12.0
163.11084	7.7
163.14828	4.5
165.06985	1.9
165.08984	1.8
165.12726	3.6
166.07687	2.0
167.08548	11.4
168.09157	2.5
169.10065	22.8
170.10799	1.7
171.07988	4.5
171.11644	30.4
173.04405	15.5
173.09540	4.3
173.11717	2.3
173.13223	18.4
175.11159	6.6
175.14763	7.8
176.60730	1.4
177.12733	2.4
179.08492	4.0
181.10046	10.5
183.08110	2.0
183.11653	23.4
184.07303	33.5
184.08722	1.4
184.12587	1.6
185.07719	3.7
185.09573	2.9
185.11778	2.1
185.13232	18.9
187.11151	3.4
187.14743	7.3
189.11177	3.1
189.12730	2.2
189.16281	1.6
193.04929	20.1
193.10100	5.6
193.12022	2.5
194.05264	5.5
195.08043	1.5
195.11658	15.1
195.13507	2.5
196.12465	2.0
197.09576	1.8
197.13222	16.7
199.11160	3.6
199.13232	1.5
199.14798	9.2
201.12642	2.2
201.16362	4.9
203.14243	2.2
205.09990	2.0
207.11713	7.2
209.13199	12.8
211.11310	1.6
211.14842	12.3
213.12767	2.4
213.16333	6.4
215.14330	2.4
215.17914	3.8
219.11699	1.7
221.13239	5.8
223.11179	1.9
223.14786	7.7
225.12767	2.2
225.16322	7.0
227.12730	5.1
227.17856	5.4
227.19963	2.9
229.14214	3.4
229.19415	2.0
231.17619	1.8
233.13200	3.3
235.14705	3.6
237.16394	5.5
239.17932	5.0
241.19424	7.3
243.21017	2.9
247.20445	1.8
249.16394	3.5
251.17888	3.1
255.17447	3.1
257.19000	5.7
259.20544	15.4
261.21973	3.0
261.45291	1.5
265.19437	1.9
267.15860	5.3
269.17395	5.6
271.20465	3.3
273.18451	4.6
273.21613	1.4
275.19998	18.2
277.19067	1.6
279.20966	2.2
281.19000	2.2
283.20529	4.9
287.20001	1.6
289.21558	2.0
295.20456	1.6
297.21960	2.0
299.20047	3.8
299.23389	1.8
301.21619	3.4
309.22086	2.7
313.21405	2.5
315.23254	4.2
321.21747	2.0
325.21378	2.0
331.22803	2.1
333.24359	10.3
335.25690	6.2
339.23032	3.3
341.24826	2.2
347.22180	2.8
349.23886	9.1
351.25812	2.6
353.24432	2.0
361.24570	1.6
363.26416	1.8
365.28519	2.3
367.22699	2.6
369.23907	1.8
377.37012	1.4
379.30194	2.2
385.23471	1.8
403.29892	2.0
413.21521	1.6
419.28156	1.9
421.30862	3.0
435.32462	3.4
439.31998	2.2
445.30365	2.9
453.33313	3.2
471.33185	1.5
477.28177	2.2
487.33734	1.8
489.35809	2.6
495.34778	2.8
501.35675	2.7
509.36111	2.7
513.35669	23.7
515.38184	11.7
527.37323	21.4
528.37524	2.3
529.38312	3.4
533.40033	7.4
539.35913	1.4
543.36505	3.2
545.37927	2.7
551.40662	6.8
553.39258	1.9
555.36456	2.6
557.38318	2.2
567.40405	1.9
589.42694	1.9
597.45123	2.4
607.43481	61.9
607.58099	2.7
608.43561	5.7
611.46655	3.0
625.44525	96.2
626.45032	9.0
628.45306	1.8
635.38879	3.0
649.44397	3.2
653.40326	6.5
667.45752	1.8
671.40857	5.5
689.42810	11.5
715.45288	2.4
733.45929	6.3
751.47729	6.9
769.48474	12.9
770.18268	7.9
787.49719	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	786.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
56.05035	0.7
57.07056	0.2
58.00259	0.2
58.06627	0.5
59.07370	0.2
60.08154	7.0
67.05478	0.6
69.07059	0.4
70.06488	0.8
71.07360	3.8
71.08617	0.1
79.05473	0.5
81.07040	0.8
83.08620	0.3
86.09692	33.3
87.10010	0.4
88.10999	0.2
91.05450	0.7
93.07018	0.9
95.04951	0.5
95.08619	1.0
95.09138	0.2
97.06532	0.2
97.10158	0.2
98.98447	2.8
104.10728	3.9
104.11400	0.3
105.07008	0.9
107.08597	0.6
109.06491	0.3
109.10136	0.4
111.08050	0.2
117.07062	0.2
119.08575	0.7
121.06517	0.1
121.10144	0.4
123.08052	0.2
124.99986	21.1
131.08557	0.4
133.10149	0.4
135.08061	0.2
140.01059	0.2
143.01047	0.5
143.08543	0.2
145.10107	0.4
147.11690	0.3
149.13237	0.2
151.11285	0.1
157.10159	0.2
159.11719	0.4
161.13290	0.2
166.02686	0.3
173.13206	0.2
184.07310	100.0
185.07658	1.0
186.07840	0.3
196.84926	0.2
227.20076	0.2
474.25687	0.1
496.33920	0.2
516.77362	0.2
656.37341	0.2
751.19250	0.2
768.51263	1.0
786.52686	9.7
787.52667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.1
55.05256	2.0
55.05502	32.1
57.03425	17.1
57.07049	1.9
58.50809	1.1
60.08130	1.4
61.02906	3.6
65.03924	5.8
66.04701	1.4
67.05492	95.8
69.03425	8.1
69.07050	21.9
69.63069	2.9
69.63490	6.5
71.01333	3.7
71.04967	6.6
71.08616	1.5
73.02875	1.6
73.06545	2.2
77.03905	1.8
79.05479	100.0
80.05780	1.3
81.03407	22.7
81.07045	86.9
82.07368	1.7
83.04968	25.1
83.08600	17.9
85.02883	5.6
85.06521	9.2
86.09689	47.6
87.04434	1.3
87.09477	1.5
87.10019	10.1
89.06000	1.6
91.05464	90.5
93.07027	98.3
94.07337	1.5
95.04953	36.0
95.08585	43.2
97.02868	7.8
97.06523	13.8
97.10161	7.1
99.04442	2.6
99.08051	4.4
103.05420	2.8
105.04501	1.3
105.07013	59.4
106.07373	1.3
107.04941	14.2
107.08575	37.6
109.02850	2.0
109.06503	12.5
109.10125	11.8
111.04382	2.4
111.08051	7.4
112.11214	2.8
113.05980	1.7
115.05437	1.9
117.06995	17.7
119.08561	39.0
120.08088	17.9
121.06484	5.6
121.08415	5.6
121.10128	12.9
123.08033	17.5
123.11670	4.6
124.99974	3.4
125.05952	1.7
125.09608	3.8
127.03937	1.5
127.07520	3.1
128.06187	4.2
129.05487	2.5
129.06973	21.8
130.07706	1.9
131.08536	14.3
133.06436	3.4
133.10104	25.8
135.08028	5.5
135.11676	19.9
137.09579	3.5
139.07425	1.3
141.06941	4.0
141.09094	1.4
142.07751	1.6
143.08516	13.3
145.06479	2.0
145.10081	18.6
147.08014	4.5
147.09868	1.6
147.11659	42.3
148.11986	1.5
149.09579	4.6
149.13188	2.9
151.11151	3.5
153.09160	1.4
154.15860	6.0
155.16229	2.6
157.10114	8.0
157.13326	2.9
158.13635	2.6
159.11685	7.6
161.09644	6.9
161.13199	14.9
163.11154	7.5
167.08424	1.6
169.10042	2.0
171.11647	28.8
173.04451	3.8
173.11763	1.7
173.13257	2.3
175.11148	4.0
177.12663	1.9
179.14197	1.3
181.12175	3.5
183.11682	1.9
184.07306	18.0
185.12949	5.7
187.13347	1.5
188.14265	2.4
189.12717	11.8
193.12231	3.7
195.13820	2.4
199.18062	6.2
200.18338	2.8
207.13759	30.0
211.13092	2.1
223.13243	5.4
225.14777	3.8
225.19537	2.4
227.17511	6.6
227.19708	1.4
228.17915	1.9
229.14212	1.7
233.16539	2.8
234.16750	2.7
243.15796	8.7
253.14252	2.9
253.19017	1.8
255.15829	21.7
257.18884	3.1
259.20547	2.4
261.15906	4.1
262.16180	3.1
263.16504	2.2
267.15884	10.1
267.24274	1.8
273.18472	5.8
275.19989	5.5
276.20395	1.4
279.15631	1.5
281.17422	52.5
283.15387	2.0
285.16864	8.2
291.19495	6.1
297.16858	6.0
298.21320	1.8
301.22635	1.6
302.22653	1.7
330.22418	2.0
332.19717	1.4
341.49167	1.2
347.21677	1.6
349.23633	3.6
365.23505	1.5
367.27472	1.8
375.24716	1.7
380.07571	1.3
441.84024	1.4
449.28928	23.4
461.28873	43.2
462.29633	1.6
473.28809	4.5
474.29581	2.7
475.30392	8.2
477.28397	2.2
491.29987	13.4
514.34662	2.1
525.38123	1.7
555.36346	5.5
557.34729	3.0
559.36542	2.9
560.36816	2.3
627.42767	1.9
628.43042	2.0
672.44818	3.3
673.45294	6.7
758.53778	3.9
786.53784	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	786.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	16.9
55.05499	30.1
57.03429	11.2
57.07059	2.3
57.15315	0.8
59.05001	2.4
61.02909	2.7
65.03934	4.1
67.05491	100.0
69.03423	5.2
69.07053	44.2
69.50068	7.4
71.01345	1.2
71.04968	5.6
73.02887	1.8
73.06541	1.1
77.03912	1.4
77.91241	0.8
79.05477	90.9
81.03410	13.3
81.07041	68.6
83.04963	15.1
83.08604	14.4
85.02878	4.2
85.06519	4.1
86.09689	1.8
89.05998	1.8
91.05463	76.5
93.07024	86.9
95.04946	26.8
95.08586	49.3
97.02869	3.0
97.06506	25.6
97.10133	6.7
99.04460	1.7
99.08084	2.9
99.83624	0.9
103.05425	1.6
105.04522	1.8
105.07009	60.0
107.04931	16.1
107.08573	28.3
109.02764	1.0
109.06506	8.5
109.10139	28.5
111.04408	1.5
111.08067	5.2
113.09649	1.5
115.05431	1.7
117.06995	18.0
119.04902	1.2
119.08559	41.9
120.00438	0.9
121.06476	6.6
121.10101	11.6
123.08030	9.5
123.11668	1.9
125.06033	1.2
125.09563	4.4
127.03869	2.5
127.07589	1.9
128.06200	3.2
129.05534	1.9
129.06984	19.9
130.07803	2.1
131.08537	15.2
133.06453	2.9
133.10104	22.8
135.08026	4.4
135.11652	9.5
137.09590	17.7
139.07494	1.5
139.11116	1.4
141.06955	2.2
143.08542	12.0
145.10100	23.1
147.08015	4.7
147.11659	42.1
148.11952	0.9
149.09587	20.6
149.13234	3.0
151.11165	3.8
155.08553	2.0
155.10683	1.3
156.09325	1.4
157.08626	1.5
157.10081	4.0
159.11647	10.4
161.09567	5.4
161.13219	15.9
163.11134	11.1
169.10104	2.0
171.10219	1.7
171.11642	30.9
172.12180	1.1
173.11708	7.5
173.13226	3.9
175.11140	2.5
177.12695	2.9
179.10614	0.9
179.14252	4.1
183.11755	2.7
184.07281	5.9
185.13257	1.5
187.11160	3.2
187.14856	1.8
189.11119	2.0
189.12727	10.5
193.12263	1.2
194.32823	0.9
195.13814	1.6
197.13173	1.4
205.12184	1.5
207.13763	29.3
211.13304	3.6
216.22142	0.9
223.13254	2.2
225.14867	3.4
227.12714	4.1
227.20099	1.7
229.14296	11.8
229.19394	1.3
239.17934	2.3
247.20569	1.4
257.18976	7.3
273.18414	3.4
275.20020	28.5
276.20267	1.2
279.15775	2.1
281.17438	52.9
282.17792	1.2
291.19556	9.8
293.21088	2.1
331.22580	1.1
349.23685	27.8
365.23102	2.4
377.23038	6.8
383.24338	1.7
435.27347	50.9
436.27618	1.2
449.28937	2.8
459.31128	6.0
461.28711	1.1
475.30365	2.8
497.32324	1.2
503.29721	1.9
527.37250	2.2
537.35632	2.2
555.36719	62.0
556.36792	4.4
557.34900	1.2
571.36084	3.3
573.37567	6.3
589.37225	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.9
55.05256	2.6
55.05503	35.3
57.03432	8.6
57.07051	3.1
58.28041	1.3
58.52078	1.5
59.04987	1.5
61.02911	9.3
65.03922	3.9
67.05495	56.2
69.03414	14.9
69.07059	22.0
69.80123	11.0
71.04978	5.4
71.08609	2.2
73.02901	4.2
77.03920	2.0
78.19691	1.6
79.05482	43.1
80.77805	1.6
81.03405	14.3
81.07048	45.5
83.04970	8.7
83.08606	17.1
85.02899	15.4
85.06511	2.4
89.30377	1.4
91.03935	3.1
91.05463	38.4
91.06004	3.3
93.07028	37.2
95.04961	10.5
95.08595	36.9
97.02863	6.8
97.06531	4.2
97.10150	21.9
98.20777	2.1
99.04433	2.8
99.08115	2.7
101.02370	2.1
101.83119	1.6
105.07021	30.0
107.04934	6.9
107.08581	29.0
109.02824	3.7
109.06509	6.7
109.10149	18.6
111.04437	2.8
111.08018	3.5
115.05425	3.6
117.07012	21.9
119.06032	1.5
119.07787	2.2
119.08565	22.9
121.06462	2.8
121.10119	9.3
121.13715	1.6
123.08044	4.6
123.11684	2.8
124.99920	1.8
125.09618	17.9
127.03876	5.1
128.06174	5.5
129.06985	17.2
131.08548	20.6
133.06462	3.3
133.10104	19.3
135.08038	6.7
135.11650	8.4
137.09610	2.3
141.06964	10.2
142.07765	4.5
143.08545	19.4
145.06497	3.7
145.10100	16.3
147.07996	3.1
147.11684	9.4
149.09599	4.7
149.13177	2.6
153.06937	2.6
153.09053	4.3
155.08539	13.5
157.10123	14.8
159.08008	3.2
159.11674	12.4
161.13214	5.5
163.11215	2.5
166.07784	2.2
167.08575	8.1
168.09334	3.2
169.10080	15.8
171.08006	2.7
171.11650	12.7
173.04437	1.8
173.09576	2.5
173.11827	3.1
173.13232	7.0
175.11137	2.8
179.08531	7.1
180.09314	3.2
181.10080	11.5
182.10841	1.9
183.08066	2.8
183.11696	11.5
184.07358	4.7
185.07773	1.6
185.09515	3.7
185.13205	7.8
187.11137	3.0
187.14787	3.5
189.11272	12.1
191.08609	1.6
193.10106	5.4
195.08020	1.8
195.11659	8.3
197.13193	10.2
199.11145	3.3
199.14726	5.2
201.12634	1.6
205.10107	2.8
207.11667	4.7
209.13234	6.9
211.11223	2.5
211.14799	5.6
213.12814	3.9
213.16389	2.2
219.11684	1.6
221.13264	5.6
223.11124	2.9
223.14810	6.3
225.12807	3.2
225.16325	4.6
227.12639	11.7
227.20068	4.2
237.16351	4.2
239.14317	2.3
239.17857	4.5
241.19521	1.9
245.13664	2.0
247.14687	2.0
249.16428	2.1
251.14107	1.7
251.17963	3.6
259.20569	3.1
263.18011	2.0
265.19150	1.8
271.17191	2.5
273.18561	4.2
275.20105	4.4
285.21841	2.3
287.20135	2.2
291.19659	9.6
297.22168	1.6
305.19110	1.7
309.22028	2.5
313.21634	2.1
323.23871	1.9
335.25970	2.3
339.23099	2.4
377.28134	2.2
379.29846	6.9
385.23871	2.8
441.09241	1.8
513.36676	4.4
531.38104	6.5
541.34583	2.1
549.38965	5.5
553.35272	3.2
554.36066	2.3
587.41058	2.4
605.41876	37.7
623.42975	100.0
624.42957	3.9
626.44446	4.6
687.40936	2.4
749.45294	3.3
767.47064	5.4
785.48010	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	11.3
55.05506	35.1
56.41677	2.1
57.03429	26.7
57.07056	2.4
59.04984	2.2
61.02905	3.8
62.85998	2.1
65.03934	5.1
67.05495	89.1
69.03424	12.9
69.07060	39.8
71.04985	15.2
71.62115	4.8
73.06548	2.6
77.03939	3.7
79.05482	100.0
80.05795	3.1
81.03403	32.5
81.07046	89.1
82.07392	3.6
83.04964	23.7
83.08608	20.4
85.02879	11.5
85.06538	5.5
86.09674	7.7
86.51450	2.5
91.05467	93.8
93.07032	91.7
93.07624	5.6
95.04964	36.1
95.08598	48.3
97.02863	7.8
97.06524	50.5
97.10146	13.1
99.04460	5.0
99.08072	6.3
103.05425	4.0
105.07016	64.0
107.04931	24.0
107.08575	46.6
109.02862	3.2
109.06509	23.6
109.10152	19.2
111.04456	4.2
111.08057	12.1
115.05439	2.8
115.07546	7.1
117.07005	25.3
119.08567	41.9
121.06499	16.6
121.10130	23.6
123.04460	3.4
123.08051	12.0
123.11672	4.1
125.09610	8.4
127.03860	3.5
128.06226	5.1
129.05487	5.3
129.06973	22.4
131.08553	28.7
133.06487	8.7
133.10118	34.1
135.07988	12.7
135.11682	13.9
137.05904	2.7
137.09497	3.2
143.08527	14.5
145.06459	5.5
145.10101	24.3
147.08037	8.9
147.11656	34.2
149.09586	9.0
149.13249	7.8
151.07501	3.2
151.11179	6.2
155.08531	3.7
157.10098	10.8
159.08020	3.9
159.11662	16.2
161.09561	13.1
161.13222	9.6
163.11177	13.0
167.99997	2.6
169.10127	5.0
171.11664	27.0
173.09659	3.4
173.11746	3.5
173.13217	6.3
175.11133	6.2
177.12721	7.1
184.07382	14.0
185.13258	5.1
187.11133	6.4
189.11189	5.1
189.12697	9.7
195.11688	2.9
195.13754	3.1
199.14841	3.7
203.14214	2.7
207.13788	20.7
209.11568	3.4
217.15895	9.0
221.15318	5.2
223.13290	7.6
227.12665	14.1
227.17862	3.7
233.15230	5.6
253.14265	7.1
255.17532	4.2
267.15894	6.3
269.17419	11.0
273.18469	30.8
275.19849	5.8
279.15756	4.1
281.17447	51.9
283.15289	11.1
289.17917	6.6
291.19470	25.2
297.16907	7.6
299.14771	4.4
301.16437	9.6
302.30441	3.3
335.25775	2.8
347.22220	9.6
349.23785	4.6
352.58008	2.6
363.21671	5.8
365.23196	17.1
445.29361	10.5
461.28906	11.4
475.30417	46.1
477.28409	4.9
513.32104	4.9
553.35175	18.7
557.34674	6.1
571.36444	35.4
589.33496	30.0
606.43335	3.5
768.48035	5.9
786.46472	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	784.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.4
56.05007	0.5
56.32696	0.2
67.05487	1.1
68.32642	0.2
69.07038	0.9
69.35419	2.3
71.08614	1.0
71.90009	0.2
79.05476	0.8
81.03410	0.3
81.07039	1.1
81.73549	0.2
83.08631	0.3
86.09686	100.0
87.10019	0.7
91.05450	1.6
93.07039	1.2
95.04948	0.4
95.08585	0.7
97.10155	0.2
98.09667	1.2
103.05437	0.9
105.07008	2.1
107.08554	0.8
109.10140	0.6
110.09631	0.3
112.11216	6.2
113.31600	0.2
114.09151	0.2
117.07037	0.2
119.08549	0.6
120.08077	40.4
121.08414	0.3
121.10103	0.3
123.11741	0.3
124.99938	0.4
129.06964	0.3
131.08539	0.5
132.08080	0.5
133.10118	0.9
135.11641	0.2
137.09552	0.2
143.08588	0.2
145.10075	0.5
146.09630	2.3
154.15874	18.1
157.13333	11.7
159.11641	0.3
167.11830	0.3
173.11911	0.2
173.13335	0.2
182.15474	0.2
183.18501	0.2
184.07266	1.2
185.12814	14.0
188.14310	7.3
191.11816	0.6
199.18008	16.3
209.16473	0.8
219.11288	1.3
225.19568	6.8
227.17484	14.9
233.16435	17.4
234.16771	0.3
235.18141	0.4
237.15987	0.4
243.14906	0.9
243.78830	0.2
253.14606	0.6
253.19060	6.8
255.17114	0.4
259.18060	1.9
261.15921	14.6
262.16312	0.3
263.17471	0.2
267.24258	7.5
271.14410	0.3
275.20004	0.4
277.22806	0.5
280.20621	0.2
287.17508	3.3
288.17804	0.3
289.15512	0.3
295.23758	4.9
297.16837	0.2
298.21191	8.4
301.22693	7.9
311.21219	0.5
314.18585	0.3
322.24869	0.5
326.20764	0.2
329.22144	4.6
332.19626	5.9
333.20065	0.3
340.25876	2.5
342.18744	0.2
356.23325	0.8
366.27475	2.1
374.24289	4.6
383.30029	1.5
400.25931	3.7
408.32205	0.7
411.29547	5.4
411.34818	0.3
415.62503	0.2
417.28506	1.9
425.35172	0.4
442.30508	2.3
442.52710	0.2
445.28015	4.2
451.36526	0.3
453.34467	0.7
459.32925	1.4
469.31677	0.3
479.35883	1.9
487.32706	3.0
496.38382	1.3
510.12567	0.2
513.34387	3.1
515.32440	0.3
524.37970	4.8
525.38580	0.2
527.38495	0.3
530.36945	2.5
552.37408	0.2
555.38800	1.4
558.36353	9.4
559.36725	0.3
568.34857	0.5
572.41724	0.7
586.36084	0.5
587.35718	0.5
592.44189	1.6
598.42896	0.3
600.40973	1.8
607.43359	0.7
609.46570	0.6
626.42651	5.7
637.46375	2.5
643.45288	4.5
653.43707	0.8
668.47552	0.9
671.44757	19.2
672.44910	1.2
699.43579	0.5
713.49609	0.8
739.50818	3.9
756.53601	8.6
757.53766	0.6
766.52368	2.9
784.53125	13.4
785.53033	1.0
819.98846	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05025	0.6
57.07069	0.3
58.06611	0.5
60.08152	6.1
67.05493	0.7
69.07056	0.6
69.43747	1.6
71.07362	3.6
71.08656	0.2
79.05470	0.5
81.07030	0.5
83.08595	0.2
85.80004	0.2
86.09691	30.7
87.10033	0.4
91.05470	0.3
93.07034	0.8
95.04919	0.2
95.08605	0.7
98.98444	3.2
104.10730	2.6
105.07018	0.4
107.08562	0.7
109.10169	0.5
116.99516	0.2
119.08566	0.4
121.10125	0.4
124.99984	20.5
126.00392	0.2
131.08507	0.2
133.10094	0.4
135.11659	0.3
143.01056	0.3
145.10146	0.2
147.11664	0.3
171.86340	0.2
184.07309	100.0
185.07692	1.5
186.07828	0.4
266.90594	0.2
289.18167	0.2
331.28110	0.2
559.54468	0.3
784.50879	8.4
785.51544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	13.6
55.05503	23.3
57.03429	17.4
57.07064	2.0
65.03927	5.9
67.05496	68.6
68.05807	1.9
69.03417	5.0
69.07060	18.6
69.27029	1.7
71.01331	2.9
71.04970	4.3
71.62800	2.6
71.88963	1.3
73.02907	2.5
73.06528	2.6
75.10984	1.3
79.05483	76.6
80.06258	1.7
81.03413	22.2
81.07047	59.6
82.07375	1.4
83.04971	27.1
83.08607	9.1
85.02901	4.0
85.06515	5.0
86.09686	7.2
89.06010	1.4
91.05467	75.5
92.05777	1.4
93.07029	72.3
95.04959	53.7
95.08594	37.6
97.02886	7.0
97.06531	11.8
97.10145	4.4
98.07307	2.9
99.04416	3.0
103.05472	2.7
103.36001	1.5
105.04497	2.9
105.07014	58.7
107.04939	46.9
107.08581	27.1
108.05739	3.3
109.02852	2.7
109.06501	20.7
109.10154	11.4
111.04427	8.3
111.08039	6.4
112.05226	3.8
113.05988	5.2
115.05456	4.6
117.07010	21.8
119.04903	4.9
119.08565	37.7
121.06503	14.0
121.10112	12.0
122.07266	11.6
123.04453	7.3
123.08083	6.9
123.11683	1.7
124.99954	3.1
125.05942	1.8
125.09624	2.0
128.06194	8.4
129.05438	2.0
129.06972	20.5
131.04924	3.1
131.08557	21.9
133.06473	18.8
133.10114	19.2
135.04419	3.0
135.08035	11.5
135.11662	8.6
136.08772	2.2
137.05954	3.3
137.09569	2.5
139.07536	2.1
141.06961	4.7
142.07791	2.5
143.08525	16.8
145.06448	10.9
145.10095	17.6
145.24376	1.6
147.04341	1.6
147.08029	21.0
147.11668	32.4
148.08815	2.4
149.05940	2.4
149.09598	7.1
149.13284	2.9
151.07501	4.7
155.06172	1.7
155.08542	4.2
157.06418	2.1
157.10045	7.6
159.08049	6.0
159.11653	8.9
161.09612	18.8
161.13251	13.6
162.10406	3.5
163.07535	2.3
163.11168	12.4
165.09076	3.4
167.08554	1.8
169.10103	5.0
171.11679	22.2
173.09592	4.5
173.13216	2.0
175.11182	5.6
177.09204	2.3
177.12700	6.1
179.14232	3.0
183.11623	2.6
184.07297	25.6
185.13219	3.5
187.11154	4.4
187.14803	5.1
189.12700	8.6
191.10815	1.7
197.13202	3.3
199.11156	1.9
201.12787	2.7
203.14386	2.9
205.12288	2.7
205.15862	2.6
207.13770	15.8
213.12732	2.2
215.14319	4.9
217.15796	3.1
221.15111	1.5
225.14774	2.5
227.12613	3.9
227.66698	1.6
229.14189	2.1
231.13881	2.1
233.15343	11.0
241.14311	2.4
243.13676	1.5
243.17534	1.6
249.14838	2.9
261.14822	5.3
261.18582	2.4
267.15887	2.5
271.16898	3.3
273.18484	12.2
275.20074	3.3
279.16019	9.3
281.17426	56.1
283.15308	2.7
289.17953	18.2
290.18600	7.9
291.19455	5.0
297.16840	2.3
307.18991	8.0
319.84372	1.8
323.18591	2.3
325.20239	2.0
335.18344	3.7
347.22192	4.5
350.74756	1.5
363.21655	5.5
381.22598	21.4
420.12189	1.6
459.30673	4.1
513.31903	2.3
529.31500	17.5
541.33148	3.2
553.35229	19.0
559.36273	3.0
569.34668	9.6
570.35291	12.5
571.35889	4.9
587.35706	100.0
588.35864	6.1
688.42456	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
55.05497	7.0
56.92443	0.3
57.03423	3.2
57.07063	22.2
59.04981	0.7
63.06535	0.4
65.03931	0.8
67.05487	16.3
67.55212	0.3
69.03408	1.2
69.07053	6.4
69.18539	0.3
71.04989	1.9
71.08611	15.4
71.62630	0.4
74.09709	0.4
78.77352	0.5
79.05474	9.7
81.03400	15.1
81.07035	18.2
83.04955	4.3
83.08601	11.1
83.09105	0.5
85.02889	7.5
85.06519	1.3
85.10160	7.7
86.09676	1.8
86.10561	0.3
91.05458	14.4
92.05798	0.4
93.07015	6.4
95.04944	6.7
95.08582	16.0
97.02824	0.7
97.06499	0.9
97.10138	3.4
98.98443	2.3
99.08061	0.5
99.11722	0.7
104.59446	0.4
105.07004	8.8
105.07671	0.7
107.04941	2.4
107.08572	2.8
109.02859	0.4
109.06499	2.0
109.10126	6.7
111.04414	0.5
111.08047	2.2
111.11668	0.5
113.05991	0.6
113.54016	0.4
115.05425	0.6
117.06974	0.8
119.08557	7.3
121.10110	3.0
123.08060	1.1
123.11684	2.9
124.99990	1.6
125.09624	0.4
129.06960	4.0
131.08540	3.5
133.06480	0.9
133.10089	4.5
137.09589	0.8
137.13266	0.7
142.07758	0.9
145.10133	0.6
147.08031	1.1
147.11635	4.2
149.09599	1.5
155.00986	0.9
157.10107	4.1
163.11168	0.5
165.12677	0.7
175.11157	3.9
184.07292	6.1
185.07759	1.1
193.12198	10.2
211.13234	11.2
232.14648	0.4
239.23689	2.6
249.14821	1.0
267.15799	3.4
274.21298	0.3
285.16916	1.5
313.27298	5.0
497.69659	0.4
505.38745	16.5
506.38773	0.7
523.39819	100.0
524.40216	3.3
581.22961	0.4
783.46832	0.6
788.97400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65344	0.4
55.01860	3.1
55.05502	5.2
57.03432	4.1
57.80063	0.4
61.02922	1.9
65.03928	1.5
67.01858	6.6
67.05495	22.0
67.30369	0.4
68.99770	2.6
69.03419	23.2
69.07064	1.7
71.01324	0.4
71.04983	2.7
71.62566	0.4
73.02898	1.3
79.05480	2.8
79.18378	0.4
81.03405	23.4
81.07047	12.9
82.07409	0.5
83.01346	0.7
83.04971	17.3
85.02891	11.7
85.03413	0.5
85.06549	0.6
87.04473	1.1
91.05463	4.3
93.03401	1.0
93.07025	3.8
95.04948	6.3
95.08591	9.5
97.02878	3.6
97.06529	1.3
97.10171	0.5
99.04435	7.5
99.08107	0.8
101.02413	0.6
101.06052	0.5
103.03922	1.3
105.07004	1.6
107.04951	3.0
107.08583	3.4
109.02863	13.3
109.06497	2.9
109.10142	55.8
110.10470	1.3
111.00826	0.6
111.04427	31.3
112.04777	0.5
113.06034	0.5
115.05482	0.6
117.07043	0.7
119.04946	3.4
119.08566	4.2
121.02853	1.8
121.06499	3.4
121.10141	1.8
123.04404	3.6
123.08035	0.5
125.02335	1.7
125.05969	2.6
125.32886	0.4
127.03903	10.5
127.07504	0.5
129.01825	1.9
129.05461	17.9
131.04922	0.5
131.08650	0.5
133.10143	1.1
135.04416	0.8
135.08022	1.6
137.05995	1.2
137.09598	100.0
138.09946	3.1
139.03902	2.8
143.08621	0.5
145.04935	0.7
145.10117	0.9
147.04391	13.9
147.06393	2.5
147.08017	1.3
148.04758	0.4
149.02344	0.6
151.03877	1.6
153.01804	54.4
154.02196	1.1
155.10645	10.5
157.04901	1.5
157.06187	0.4
159.11784	0.5
160.08260	0.4
161.05934	0.7
161.09525	0.8
161.13278	0.4
163.03906	1.6
163.07512	0.7
165.01862	2.0
165.09087	73.9
166.09392	1.9
167.03375	0.7
167.07021	0.7
167.10646	0.5
171.02866	53.6
172.03172	1.2
175.03873	0.6
175.05968	0.5
177.01804	2.2
177.05424	0.9
179.03362	2.2
181.04990	0.5
183.02817	0.9
183.08557	0.8
183.10109	7.7
187.03883	1.1
189.05414	0.9
191.03427	2.6
191.06979	0.8
191.81479	0.5
195.02867	22.9
196.03200	1.0
199.11188	0.4
201.11194	18.5
201.13072	1.0
207.02895	0.9
209.04295	0.7
215.03311	2.4
217.01312	0.5
219.02823	4.1
219.06508	0.7
219.12123	0.9
225.11079	0.5
231.06525	0.6
233.04393	1.0
237.04170	0.6
237.07478	0.9
243.02859	3.5
245.11623	0.5
255.08679	1.1
261.03909	7.2
263.12753	0.5
267.12146	1.0
273.07529	49.3
274.07727	2.6
279.04889	1.4
285.07413	0.9
291.12173	1.6
293.13794	0.7
297.07632	3.8
309.13333	4.7
311.14844	13.9
312.15106	0.5
315.08591	8.3
327.14355	7.5
329.15897	27.5
330.16144	1.4
339.08514	5.2
339.14322	1.4
347.16833	2.0
353.15909	1.3
357.15372	3.5
363.08542	6.7
371.16895	2.8
381.09637	7.4
383.17026	0.6
395.16891	1.0
399.10449	1.7
413.17795	2.0
417.11603	1.5
419.16711	1.3
431.19150	2.2
437.17984	5.5
455.19070	12.8
456.19128	0.8
461.14447	0.7
473.20151	19.8
474.20197	0.8
491.20798	1.7
781.36426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.3
55.05501	1.4
56.05009	0.7
57.03428	2.0
59.04965	0.5
60.08152	3.3
61.02918	5.2
61.08469	0.4
63.09509	0.3
67.05492	6.1
69.03413	3.6
69.07056	1.8
69.27890	1.0
69.28313	2.3
71.04985	1.5
71.07358	1.4
73.02907	3.8
73.98974	0.3
74.99624	0.3
75.04456	0.3
79.05482	4.0
81.02962	0.3
81.03402	2.8
81.07041	5.7
83.04952	0.5
83.08575	1.0
85.02892	6.6
85.06511	0.4
86.09690	17.1
87.04433	0.6
87.10021	1.9
91.03938	3.7
91.05470	2.9
93.07034	4.8
95.04938	1.6
95.08596	4.5
97.02878	4.4
97.06480	0.5
98.98447	1.8
99.04410	1.1
101.02365	2.2
103.03918	0.4
104.10690	0.6
105.07001	2.7
107.04891	0.5
107.08585	2.0
109.02834	0.9
109.06480	0.4
109.10139	1.6
109.31267	0.3
111.08055	0.3
115.03905	0.4
117.06991	0.7
118.44353	0.3
119.08580	1.7
121.10116	2.5
123.07975	0.4
123.11670	0.4
124.99981	11.6
126.00307	0.5
127.03850	1.7
129.05423	0.4
129.07001	0.5
131.08525	1.2
133.10115	1.7
135.11615	0.6
143.00923	0.5
145.10071	0.5
147.11641	1.3
149.09578	1.2
149.13213	0.8
151.11159	0.3
157.10098	0.9
159.11697	0.4
161.13275	0.3
173.13205	0.5
175.11130	0.6
184.07309	62.0
185.04204	0.7
185.07660	7.1
193.12123	0.7
203.05243	0.6
225.14769	0.6
233.11427	0.4
243.08423	2.6
261.22018	0.4
267.15894	0.6
283.06082	0.5
283.15097	6.3
333.15082	0.4
335.25739	0.9
339.17715	0.8
458.02682	0.3
501.22983	8.6
519.29266	7.8
519.37054	0.4
520.29962	0.4
617.40289	0.5
649.55627	0.3
674.44287	0.4
675.33319	0.3
675.44312	2.0
779.45459	100.0
780.45856	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.9
55.05501	1.9
56.05001	0.3
57.03430	1.8
58.06567	0.5
59.07347	0.3
60.08157	2.8
61.02917	5.1
65.03906	0.6
67.05497	4.9
68.05809	0.2
69.03062	0.3
69.03417	3.4
69.07054	2.5
70.03743	0.2
70.04113	0.2
71.01317	0.5
71.04989	1.2
71.07360	1.6
71.11795	0.2
73.02557	0.3
73.02904	3.7
79.05482	4.7
81.03405	4.0
81.06586	0.3
81.07048	5.3
83.04963	1.3
83.08623	1.5
85.02891	6.9
85.06501	0.5
86.09693	13.2
87.04406	0.3
87.10019	1.7
91.03931	2.4
91.05468	5.1
93.07024	3.7
95.04961	2.0
95.08586	2.2
97.02277	0.3
97.02881	4.7
97.06513	1.1
97.10155	0.6
98.21523	0.4
98.98448	1.3
99.04455	1.3
101.02379	1.6
103.03932	0.4
104.10700	1.7
105.07016	3.7
106.00508	0.2
106.89970	0.2
107.04906	0.8
107.08577	2.1
109.02858	0.8
109.06468	0.7
109.10115	1.0
111.04402	0.3
111.08051	0.5
113.06011	0.3
115.03870	0.6
117.06989	1.1
119.04900	0.2
119.08570	2.5
121.06488	0.4
121.10116	1.5
123.08002	0.4
123.11720	0.4
124.99990	9.6
125.09570	0.6
126.00297	0.3
127.03882	1.4
129.05518	0.2
129.06946	0.9
131.08563	1.7
133.10121	1.8
135.07983	0.3
135.11658	1.0
145.10089	0.7
147.07977	0.4
147.11711	1.2
149.09598	0.5
153.01788	1.4
157.10092	1.0
159.11629	0.5
163.11133	0.4
165.12726	0.3
175.11153	1.0
184.07315	50.8
185.04236	0.5
185.07661	7.7
189.11147	0.3
193.12247	1.6
203.05220	0.7
211.13229	0.7
221.11488	0.3
222.09052	0.4
241.06837	0.2
243.08380	3.1
251.12473	1.2
303.19397	0.3
307.15067	0.6
333.20309	2.8
389.23059	0.7
404.01450	0.3
439.19440	1.1
453.20959	1.0
469.20386	9.2
470.20929	0.7
515.54517	0.2
541.22040	0.3
551.28241	6.1
552.28583	0.4
574.93964	0.2
599.35651	0.3
617.37061	0.3
670.93335	0.2
671.40961	0.4
681.34369	0.3
761.43872	1.1
779.41748	100.0
780.42133	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	779.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92405	0.7
55.01860	1.0
55.05503	2.2
57.03427	3.2
60.08144	2.5
60.82590	0.7
61.02914	5.2
63.72321	0.8
67.05499	4.9
69.03413	3.7
69.07056	2.7
70.06577	0.8
71.04979	2.0
71.07352	0.7
73.02905	4.1
79.05466	6.3
81.03398	2.7
81.07054	5.5
83.04984	1.9
83.08611	1.4
85.02888	5.4
86.09695	12.5
87.10036	1.3
91.03948	4.0
91.05457	5.2
93.07030	4.4
95.04972	1.6
95.08594	2.3
97.02875	5.4
97.06524	1.0
98.98451	1.3
99.04456	1.5
101.02376	2.1
103.03854	0.8
105.07005	4.0
107.04980	0.8
107.08553	2.1
109.02893	1.4
109.06538	1.6
109.10143	2.0
117.07044	1.1
119.08555	4.3
121.10136	2.1
124.99997	7.6
125.09634	0.7
126.22934	0.8
127.03920	1.6
129.05490	1.4
129.06970	0.8
131.08554	1.5
133.10152	2.1
135.11714	1.1
139.03934	1.2
143.08546	1.1
145.10115	0.9
147.11691	2.0
155.90041	0.7
157.10098	1.2
159.11691	1.3
161.09531	1.0
181.04842	0.8
184.07309	41.4
185.04195	4.5
185.07657	6.3
187.15042	0.8
193.12416	0.9
199.05840	1.2
201.03709	2.0
203.05312	1.2
220.65012	0.8
241.06747	1.1
243.08426	4.5
247.13072	1.1
251.12654	1.2
301.08929	11.9
315.10519	3.1
317.20978	1.9
329.12311	0.9
341.12286	1.4
355.13611	0.9
357.15115	0.9
357.24066	1.3
369.15512	1.0
373.11163	2.8
383.16812	1.5
385.18359	7.6
399.06400	0.7
415.24347	1.4
429.17264	2.6
455.18857	1.1
465.20810	5.7
469.20248	9.6
485.20123	1.1
495.21964	2.8
499.34109	2.4
513.27063	1.0
525.22955	16.1
535.28650	9.8
535.35797	1.2
551.27917	1.8
594.30359	2.4
607.30750	5.9
609.32147	4.3
621.32123	1.1
635.33978	2.4
649.35590	1.3
663.34100	1.5
677.38745	3.1
681.33966	1.5
693.34406	40.5
694.35101	2.0
695.39929	3.3
733.39874	1.0
743.41901	0.9
761.40814	7.1
779.41516	100.0
780.41821	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	778.5359
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
54.41241	0.1
56.05026	0.6
58.06615	0.5
59.07380	0.1
60.08149	5.2
67.05485	0.1
70.06569	0.1
71.07359	3.0
71.23194	0.1
78.67854	0.1
79.05454	0.1
81.07063	0.1
86.09686	26.0
87.10013	0.2
98.98444	2.7
104.10721	2.0
124.99977	17.8
130.35138	0.1
143.01056	0.2
166.02654	0.2
167.72243	0.1
184.07300	100.0
185.07634	0.6
335.14255	0.1
500.31274	0.2
518.32355	0.2
525.78644	0.1
778.53638	3.2
779.53308	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.5
55.05502	1.7
55.20741	0.3
57.03422	2.5
60.08154	2.6
61.02914	4.5
61.08458	0.2
67.05176	0.3
67.05493	4.6
69.03416	3.6
69.07062	2.2
69.48315	0.6
69.48726	1.6
71.01314	0.4
71.04958	0.8
71.07333	1.1
73.02908	3.8
75.16798	0.2
79.05485	4.5
80.05769	0.3
81.03403	5.0
81.07043	5.8
82.07310	0.3
83.04980	2.0
83.08586	1.3
85.02888	6.3
85.06516	0.6
86.09690	10.8
87.04422	0.6
87.10030	1.5
91.03930	2.6
91.05473	4.5
93.07029	4.0
95.04950	2.0
95.08588	2.2
97.02883	4.0
97.06491	1.1
97.10160	0.3
98.20767	0.5
98.98408	1.0
99.04426	1.1
101.02366	1.9
103.03911	0.4
104.10686	1.1
105.07014	3.3
107.04904	0.9
107.08569	2.0
107.84940	0.2
109.02834	0.7
109.06475	0.7
109.10101	1.1
111.08054	0.8
113.06062	0.3
115.03864	0.5
117.06931	0.8
119.08566	2.6
121.10101	1.5
123.04331	0.3
123.05439	0.2
123.08044	0.8
123.11621	0.3
124.99983	8.0
125.09547	0.5
127.03905	1.6
129.05467	0.5
129.06960	0.9
131.08571	1.7
133.10114	1.9
135.08002	0.4
135.11629	0.9
137.09503	0.3
139.03853	0.3
145.04909	0.7
145.10052	0.8
147.08026	0.3
147.11650	1.9
149.09560	0.8
151.11124	0.3
157.10074	1.6
159.11694	0.3
163.11079	0.3
175.11179	1.0
184.07309	39.9
185.04156	0.5
185.07663	5.6
187.14748	0.3
193.12193	1.9
203.05235	0.5
211.13226	1.1
227.13010	0.2
235.12996	0.4
243.08400	3.2
251.12575	1.3
285.16827	0.5
299.05582	0.4
307.15167	0.8
309.93164	0.3
333.20279	2.5
389.23242	0.4
439.19290	1.0
453.20670	1.5
469.20392	13.9
470.20782	0.5
502.23611	0.3
546.37744	0.3
551.28284	4.6
552.29047	0.4
617.35834	0.3
641.43982	0.3
649.35242	0.6
672.41956	0.3
681.34442	0.6
743.42987	0.4
761.44324	0.4
762.45294	0.6
779.41724	100.0
780.42084	9.9
780.56641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	0.6
55.05503	5.5
56.05014	0.8
57.03419	3.4
57.07060	3.0
57.85371	0.4
60.07869	0.5
60.08152	6.4
67.05489	6.3
69.03403	0.5
69.07057	6.8
69.66257	2.8
71.04962	0.6
71.07348	3.1
71.08614	1.9
79.05476	3.8
81.03399	17.9
81.06571	0.6
81.07035	6.7
83.04942	1.0
83.08135	0.7
83.08599	9.4
85.06528	0.7
85.10149	0.7
85.21548	0.4
86.09686	28.9
87.10016	0.9
91.05470	3.6
93.07024	4.3
94.86533	0.4
95.04949	5.6
95.08582	6.9
97.02806	0.5
97.06498	1.3
97.10136	4.0
98.98438	3.2
104.10717	2.1
105.07009	2.6
107.04927	1.1
107.08550	2.3
109.06513	0.9
109.10118	3.0
111.08051	1.7
111.11679	0.7
117.06995	0.6
119.08568	2.9
121.06498	0.5
121.10100	3.8
123.04514	0.4
123.08025	0.7
123.11699	0.6
124.99980	17.4
126.00273	0.6
129.06973	1.5
131.08539	2.3
133.06427	0.7
133.10078	1.2
135.11665	2.0
142.07784	0.4
145.10086	0.4
147.07985	0.5
147.11687	1.8
149.09581	1.0
149.13223	0.9
157.10139	2.2
163.11168	0.6
163.14758	0.5
165.12791	0.6
173.13245	0.4
175.11169	1.8
184.07300	100.0
185.07652	3.2
186.07695	1.2
193.12216	6.1
207.83896	0.4
209.31610	0.4
211.13321	0.6
211.90018	0.4
220.16997	0.4
229.14227	0.4
235.13107	0.5
249.14818	0.6
265.25250	0.5
267.15848	31.2
268.16223	0.8
272.56830	0.4
301.73453	0.5
313.27332	1.3
327.18793	0.4
339.28882	26.2
340.28976	0.5
341.13205	0.4
426.75360	0.4
457.36908	0.7
467.36832	0.8
531.40338	23.5
532.40540	1.3
549.41376	4.7
573.41290	1.1
778.53619	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	778.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05032	0.7
57.03434	0.3
57.07061	0.5
58.06320	0.2
58.06618	0.5
59.07387	0.2
60.08155	5.6
61.02914	0.3
65.03926	0.3
67.05492	0.9
69.03419	0.2
69.07063	0.4
69.97454	0.5
70.06584	1.4
71.04983	0.2
71.07362	2.6
71.07970	0.1
71.08637	0.2
73.02906	0.2
79.05066	0.1
79.05479	0.7
80.05806	0.2
81.03407	0.5
81.07047	0.8
82.07364	0.1
83.04972	0.2
83.08603	0.3
85.02908	0.4
86.09692	28.6
87.10027	0.4
88.07628	1.3
91.03935	0.2
91.05468	0.7
93.07024	0.7
95.04932	0.3
95.08616	0.5
97.02876	0.4
97.06525	0.2
98.98449	2.8
102.09168	1.2
104.10726	2.1
105.07005	0.4
107.04922	0.1
107.08562	0.4
108.08873	0.1
109.06499	0.2
109.10136	0.4
116.98597	0.1
117.06991	0.2
119.08561	0.5
121.02892	0.1
121.10125	0.3
123.08049	0.2
123.11658	0.1
124.99985	19.6
129.06898	0.1
131.08539	0.2
133.10117	0.5
134.10518	0.1
135.11696	0.3
139.03908	0.2
143.01036	0.3
143.08589	0.2
145.06381	0.1
145.10094	0.3
147.11655	0.2
149.02322	4.7
149.03375	0.3
149.09616	0.1
150.02692	0.1
151.11208	0.2
160.11151	0.2
161.13275	0.1
163.11192	0.1
166.02612	0.2
184.07312	100.0
185.07655	1.2
186.07848	0.1
186.96892	0.1
193.04926	2.0
227.12915	0.1
228.23177	2.9
229.23499	0.2
253.14319	0.3
254.14571	0.1
258.08923	0.3
286.56787	0.1
321.04865	0.1
341.06424	0.1
354.41278	0.1
385.09055	0.4
409.39633	0.1
443.30853	0.1
469.20212	0.2
470.20633	0.1
518.32263	0.2
533.09863	0.1
577.13373	0.9
710.43781	12.0
711.44257	0.8
768.83832	0.1
778.38190	3.4
779.32196	0.6
779.39111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	14.0
56.05835	0.2
57.07043	0.3
59.04978	1.0
67.05487	1.1
69.03414	1.2
69.07043	0.7
70.19877	0.9
71.04980	0.6
79.05476	0.6
79.50487	0.2
81.03395	0.3
81.07034	1.6
83.04963	8.6
83.08601	11.5
85.02881	0.9
85.06512	0.8
87.05197	0.2
91.05486	0.4
93.07021	1.5
95.04928	0.8
95.08581	1.2
97.06512	1.2
97.10138	2.1
105.07005	0.6
107.08573	4.7
109.02844	0.2
109.06483	0.7
109.10130	5.6
110.07190	0.2
111.08054	2.8
113.09614	0.5
119.08480	0.2
120.60709	0.2
121.10115	2.3
123.11680	2.2
125.09596	3.1
127.03893	0.5
127.07478	0.3
131.08557	0.2
133.06476	0.4
133.10081	1.6
137.09558	0.2
139.03882	0.3
145.04901	0.4
147.04404	0.4
149.13242	2.1
151.11150	19.5
152.11458	0.4
153.09105	0.4
161.05943	0.2
163.03886	0.2
163.14772	0.4
167.14282	24.0
168.14621	0.5
173.13199	0.6
177.10666	0.2
191.14264	0.8
193.08499	0.3
205.07036	0.2
209.15318	100.0
210.15654	2.4
245.62036	0.2
255.71303	0.2
314.85623	0.3
361.09283	0.2
371.20654	0.4
375.95190	0.2
640.14459	0.2
757.87408	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.2
55.05480	0.2
56.05022	0.5
56.29798	0.1
57.03417	0.1
57.03694	0.1
57.07035	0.1
58.06569	1.0
59.07356	0.6
60.08151	5.5
61.02896	0.3
65.08498	0.1
67.05479	0.5
68.05821	0.1
69.03411	0.1
69.07049	0.3
70.06583	0.1
70.21852	0.1
70.22205	0.3
71.04975	0.1
71.07358	2.5
73.02879	0.1
79.05473	0.4
81.03414	0.4
81.07041	0.5
83.04968	0.2
83.08596	0.2
85.02878	0.3
86.09688	26.1
87.10013	0.2
91.03934	0.1
91.05455	0.5
93.07030	0.5
95.04935	0.3
95.08586	0.4
97.02851	0.2
97.06485	0.1
98.98441	2.3
104.10723	2.9
105.06998	0.3
107.04942	0.1
107.08571	0.4
109.06493	0.1
109.10137	0.2
111.01090	0.1
117.06977	0.1
118.23064	0.1
119.08576	0.4
121.10115	0.2
123.08081	0.1
123.11769	0.1
124.99977	16.0
126.00336	0.1
126.99227	0.1
129.06909	0.1
131.08549	0.1
133.10106	0.2
135.07957	0.2
135.11696	0.1
137.05966	0.2
142.07776	0.1
143.01053	0.3
145.10095	0.1
147.11688	0.2
149.09590	0.1
153.01817	0.1
157.10056	0.1
161.08015	0.1
166.02580	0.1
169.10063	0.1
175.11139	0.1
184.07301	100.0
185.07681	1.1
186.07755	0.1
193.12137	0.1
196.67110	0.1
216.08617	0.1
222.08842	0.7
224.10458	0.3
226.08580	0.1
233.09126	0.1
238.08598	0.1
243.08310	0.1
373.11453	0.1
424.20651	0.1
469.20303	0.4
491.22781	0.2
509.23926	0.1
522.24768	0.1
550.29889	0.1
551.28687	0.1
562.60455	0.1
622.33136	0.6
648.35004	0.4
672.34680	0.1
678.35944	0.3
690.36304	0.2
725.42017	0.2
742.42578	0.1
743.43036	0.1
744.44122	0.6
760.43317	0.6
761.43756	0.1
778.44769	3.8
779.41803	3.4
805.18976	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	777.402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.4
55.05501	2.3
57.03428	2.6
60.08158	1.8
60.43970	0.3
61.02919	4.6
65.03918	0.6
67.05492	8.2
68.05820	0.4
69.03423	3.7
69.07052	3.2
71.01330	0.6
71.04977	1.2
71.07360	0.9
73.02903	3.5
77.69731	0.4
79.05049	0.4
79.05483	5.4
80.05806	0.6
81.03404	4.2
81.07044	6.3
83.04944	1.9
83.08605	2.4
85.02890	6.3
85.06526	0.4
86.09690	8.1
87.10030	0.8
91.03945	3.2
91.05463	5.7
92.05778	0.4
93.07029	4.8
94.07372	0.5
95.04955	2.8
95.08582	3.9
96.08926	0.5
97.02879	4.4
97.06507	1.3
97.10171	0.5
98.98451	0.7
99.04449	0.8
99.08118	0.4
101.02362	1.9
104.10730	0.7
105.07024	5.1
106.07337	0.6
107.04961	1.3
107.08582	3.6
108.08923	0.8
109.02876	1.1
109.06500	1.9
109.10144	2.6
111.08074	1.0
111.34655	0.4
117.07001	1.3
119.08564	3.1
120.08842	0.4
121.06509	0.6
121.10126	1.6
123.08056	0.7
124.99975	5.7
125.05920	0.4
127.03912	1.2
129.07019	1.1
131.08516	1.9
133.06465	0.6
133.10114	3.9
135.08017	0.6
135.11697	1.1
137.09573	0.5
142.07768	0.4
143.08534	0.9
145.04907	0.4
145.10124	1.8
147.08084	0.5
147.11649	2.1
149.09589	1.1
149.13225	0.5
149.63857	0.3
151.11171	1.2
157.10117	1.7
159.11674	0.9
161.09625	0.7
163.11182	0.5
165.12726	0.4
171.11621	0.7
173.09686	0.3
175.11234	1.4
184.07312	29.9
185.04243	0.7
185.07686	2.0
193.12221	2.6
194.12668	0.4
203.05176	0.5
211.13284	1.4
243.08319	2.8
251.12445	1.9
260.20901	0.4
268.16241	0.3
269.17456	0.5
273.18423	0.6
285.16956	0.6
301.09244	0.5
307.15198	0.7
313.17841	0.5
331.18839	1.6
334.24490	0.4
339.00873	0.4
423.27725	0.4
436.28125	0.5
451.19446	1.4
469.20352	7.1
481.31326	0.5
482.31656	0.5
504.34119	0.5
530.35382	0.4
531.25653	2.1
541.22339	1.8
544.36877	0.5
549.26624	4.2
562.38361	0.7
679.33014	1.9
727.43665	0.9
759.38959	6.4
760.40289	0.4
777.40155	100.0
778.40399	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	777.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.8
55.05505	2.2
56.05001	0.6
57.03424	1.6
58.06576	1.0
59.07346	0.5
60.08156	5.9
61.02642	0.2
61.02915	2.9
61.08456	0.3
65.03906	0.3
67.05493	4.9
68.31175	0.2
69.03420	2.5
69.07057	2.2
69.07376	0.4
69.35946	1.9
69.36354	0.6
71.01319	0.4
71.04956	1.0
71.07354	2.3
73.02914	2.7
79.05051	0.3
79.05477	3.5
80.05770	0.3
81.03398	3.6
81.07040	3.8
83.04946	1.0
83.08597	1.3
85.02893	3.6
86.09690	26.8
87.10015	3.9
91.03941	1.4
91.05459	3.9
93.07017	3.1
95.04950	1.7
95.08610	1.8
97.02361	0.3
97.02876	3.6
97.06489	1.0
97.10115	0.6
98.20761	0.6
98.98444	2.6
99.04412	0.8
101.02329	1.0
104.10719	2.4
105.07004	1.9
105.11029	0.4
107.04977	0.6
107.08575	1.8
107.52734	0.2
109.02853	0.5
109.06485	0.6
109.10139	1.5
110.10475	0.4
111.08047	0.5
115.03895	0.3
117.06985	1.5
119.08578	1.8
121.10130	1.2
123.08060	0.6
124.99982	18.5
125.09593	0.8
126.00315	1.0
127.03876	1.0
129.06947	0.5
131.08507	1.2
133.06436	0.3
133.10083	1.4
134.10506	0.3
135.07948	0.3
135.11641	1.1
137.09550	0.5
143.00978	0.4
143.08502	0.4
145.10068	0.7
147.11613	0.7
148.12045	0.3
157.10027	0.8
159.11621	0.6
161.13234	0.3
163.11191	1.2
173.52968	0.2
175.11131	0.3
184.07307	100.0
185.04184	0.5
185.07657	13.9
186.07724	0.3
193.12228	0.7
211.13225	0.5
222.08839	0.6
223.13188	0.4
227.12782	0.3
243.08406	2.4
251.12581	0.7
275.20166	0.3
283.15378	0.4
285.16986	0.4
291.19641	0.6
315.10352	0.3
331.18756	0.9
333.20407	0.6
387.20981	0.3
439.18936	0.4
453.20789	0.5
467.18781	2.7
469.20325	3.9
504.34454	0.5
530.35608	0.4
541.22876	0.3
544.37006	0.4
549.26624	1.3
551.28180	1.9
562.37622	0.5
690.36267	0.3
691.35919	2.2
698.34814	0.3
743.42700	1.1
759.41907	0.5
777.40161	61.0
778.40448	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	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.9
55.05503	46.7
57.03432	19.4
57.07061	2.5
59.04987	4.7
60.08135	2.3
61.02914	3.8
65.03919	2.3
67.05495	100.0
68.05820	1.4
69.03411	5.4
69.07056	21.3
71.01328	1.8
71.04993	6.3
71.07353	1.4
73.02910	1.5
75.04466	1.0
77.03862	0.8
79.05482	50.3
81.03403	5.4
81.07045	68.7
82.07347	0.9
83.04967	6.1
83.08606	19.4
85.02424	1.3
85.02897	18.6
85.06516	3.7
86.09702	14.0
87.04456	7.9
91.03931	1.5
91.05467	28.9
93.07034	52.2
95.04965	9.2
95.08594	52.7
97.02887	4.2
97.06522	6.3
97.10158	23.8
98.98488	0.9
99.04441	0.8
99.08080	2.3
103.03908	1.7
104.10703	0.9
105.04515	1.3
105.07018	18.3
107.04954	3.8
107.08580	33.6
108.08840	0.9
108.72138	0.8
109.06508	3.3
109.10140	53.0
110.10513	0.8
111.04417	1.6
111.08097	4.2
111.11690	1.0
117.07006	7.5
119.07767	1.4
119.08564	18.6
121.06476	1.8
121.09298	1.5
121.10127	21.4
123.08051	2.9
123.11677	6.1
124.90521	0.9
124.99964	6.9
125.08732	1.5
125.09615	22.0
127.03884	0.9
129.05458	1.0
129.06961	3.7
131.08533	13.1
133.10120	12.3
133.53311	0.9
135.08054	2.2
135.11670	15.0
137.09599	2.9
137.13223	1.7
139.11150	2.9
143.08542	2.6
143.10645	4.3
145.10115	13.2
147.08012	1.6
147.11661	7.9
149.09583	2.9
149.13208	7.1
151.11145	1.9
153.12662	1.4
155.08473	1.3
155.10687	2.3
157.10069	2.3
159.11652	9.3
161.09537	1.3
161.13228	4.9
163.11131	6.0
163.14853	2.9
165.12689	1.6
169.10092	1.0
171.11659	3.2
173.09554	1.5
173.11699	14.3
173.13237	5.5
175.11180	1.1
175.14774	2.5
181.12207	1.9
183.11713	1.2
184.07315	40.9
185.06044	0.9
185.07683	3.2
185.13173	2.3
187.14780	2.7
189.11194	2.3
189.12689	1.0
191.10703	1.2
193.12228	3.5
195.11758	1.4
197.13188	1.4
199.13232	8.3
199.14799	1.6
201.16437	0.8
203.12657	1.0
209.11703	3.1
211.13228	1.2
217.14320	3.1
227.12747	9.9
229.14308	43.8
241.14288	1.6
243.21033	3.6
245.13828	2.8
255.15800	0.9
257.13794	1.5
259.20575	2.8
261.22153	14.3
267.15784	4.7
273.34848	0.8
277.21585	1.5
283.15344	2.8
283.20279	1.2
285.16846	1.0
285.21951	1.5
289.21729	1.2
301.16391	20.7
303.23087	1.0
315.23096	2.1
317.24573	2.2
319.17377	2.4
321.24417	2.1
327.23111	1.7
333.24289	2.0
335.25754	75.7
336.26056	2.0
351.25269	1.3
363.25168	2.9
433.31110	1.2
451.31613	1.3
459.34439	2.1
463.34216	0.9
469.33154	1.9
475.33978	1.7
477.35684	13.4
489.35773	15.2
507.36499	1.2
525.35736	1.8
543.36597	5.4
561.37769	11.6
579.39081	7.6
672.42200	1.8
723.42834	1.1
739.16516	1.0
776.43768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.9
55.05501	45.5
57.03430	20.3
57.07065	4.7
59.04980	3.5
61.02904	3.7
65.03918	5.3
67.05492	100.0
68.05811	1.6
69.03414	5.1
69.06721	1.6
69.07056	21.6
70.65144	0.9
71.01352	1.6
71.04976	6.0
71.62448	1.0
73.02895	2.0
78.96811	1.0
79.05478	50.2
80.05812	1.0
81.03403	8.4
81.07041	67.8
83.04969	7.4
83.08603	19.2
85.02891	21.6
85.06542	4.7
86.09680	1.3
87.04447	10.1
91.03963	1.5
91.05465	28.2
92.05786	1.2
93.07024	46.5
95.04954	8.1
95.08590	48.1
97.02888	6.0
97.06515	6.1
97.10151	31.4
99.08059	1.7
100.51111	1.0
103.03929	2.7
105.07005	19.6
107.04914	3.6
107.07851	1.9
107.08572	33.6
109.06487	3.6
109.10136	56.4
110.10490	1.2
111.04451	1.5
111.08035	4.2
117.06973	7.5
119.08561	19.6
121.10120	24.1
123.08027	3.1
123.11697	7.0
124.99985	1.7
125.09602	23.6
129.06993	3.5
130.07823	1.0
131.08536	11.5
133.06424	0.9
133.10100	15.1
135.07994	2.0
135.11664	13.4
137.09563	3.8
137.13248	1.8
139.11163	2.7
141.06964	1.5
143.08531	3.9
143.10605	5.3
145.10098	11.1
146.10489	1.1
147.11681	8.3
149.09625	3.1
149.13243	5.9
151.11153	2.6
153.12714	1.6
155.08464	0.9
155.10667	2.5
157.10063	3.2
159.07904	0.9
159.11668	7.6
161.09624	1.3
161.13217	5.6
163.11128	7.3
163.14807	3.7
165.47641	0.9
169.10115	0.9
171.11650	2.5
173.09558	2.1
173.11697	14.0
173.13219	6.6
175.11139	2.4
175.14799	1.9
177.16344	1.2
181.12114	2.3
181.43756	0.9
183.11681	1.5
184.07307	7.1
185.13177	1.7
187.14748	2.3
189.11218	2.2
189.12706	0.9
191.10605	2.6
191.14258	1.2
193.12231	3.1
198.15472	0.9
199.13251	13.0
199.14854	1.4
201.16394	2.0
203.12668	1.6
203.17867	0.9
207.13731	1.2
209.11610	5.1
211.13219	1.3
213.16354	1.4
217.14281	2.8
225.16357	1.0
227.12726	11.1
227.94714	1.1
229.14307	43.2
230.14555	1.5
233.22635	1.3
241.14316	1.7
243.21037	4.2
245.13823	4.8
257.13751	1.2
259.20514	3.2
261.22113	12.3
262.22327	1.1
267.15924	6.5
269.17120	1.2
275.20050	1.2
277.21460	3.0
283.15250	1.8
285.17017	1.5
289.21497	2.4
299.14566	1.2
301.16403	24.4
305.20776	1.1
315.23038	2.3
317.15775	1.3
317.24612	2.2
319.17383	3.8
327.23083	2.2
333.24142	1.9
335.25742	70.6
336.25986	4.7
337.26694	2.5
363.25165	2.6
451.31860	3.1
459.34665	1.6
464.17755	1.0
469.33191	1.4
477.35648	14.2
489.35715	10.6
517.34882	1.5
525.35815	1.4
543.36853	7.1
561.37726	13.9
561.45770	1.7
579.38623	7.0
776.42340	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	776.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48085	0.7
55.01862	4.4
55.05502	39.2
57.03430	18.9
57.07076	3.6
59.04995	3.9
60.08156	4.0
61.02910	4.3
65.03928	3.1
67.05495	100.0
68.05813	0.7
69.03424	4.8
69.07058	17.4
71.01344	1.2
71.04984	4.7
71.07354	1.4
73.02915	2.3
76.67543	0.7
76.74644	0.6
79.05480	49.2
81.03415	7.9
81.07045	63.6
83.04968	7.2
83.08607	16.7
83.09103	0.9
85.02895	16.3
85.06543	3.0
86.09694	20.0
87.04456	7.0
91.03947	2.9
91.05466	26.6
93.07029	48.5
94.07360	1.6
95.04958	9.0
95.08591	44.1
97.02888	4.7
97.06508	4.3
97.10155	21.0
98.98458	2.3
99.04451	1.0
99.08089	1.9
101.06059	1.0
103.03934	1.2
103.05496	1.1
104.10740	0.9
105.07016	18.7
107.04955	2.4
107.08575	27.2
109.02869	0.8
109.06528	2.8
109.10139	56.5
110.10494	0.8
111.04460	1.3
111.08041	3.3
117.06999	7.2
119.06150	0.6
119.08565	16.9
121.06503	1.9
121.10117	21.0
123.08073	2.3
123.11697	4.5
124.99990	11.6
125.09608	18.5
127.03913	1.0
127.11184	0.9
129.07036	1.9
131.08546	11.6
133.10114	11.4
133.11050	0.8
135.08005	1.0
135.11676	14.9
136.12015	0.6
137.09622	3.2
137.13258	1.6
139.03868	0.8
139.11139	1.5
143.08578	2.5
143.10701	2.9
145.10095	10.4
147.11658	6.8
149.09563	3.1
149.13249	6.3
151.11205	1.3
153.12846	1.2
155.08511	1.3
155.10713	2.4
157.10164	2.3
159.11659	7.1
161.13216	4.9
163.11176	4.0
163.14824	2.4
165.12729	0.9
169.10098	1.4
171.10370	0.7
171.11719	2.9
173.09602	1.5
173.11760	15.3
173.13272	5.3
175.11125	1.3
175.14900	2.5
177.16412	0.9
181.12273	1.4
183.11729	0.8
184.07318	64.6
185.11755	0.8
185.13261	1.7
187.14838	3.1
189.11217	1.6
189.16449	1.0
191.10616	3.1
193.12337	3.0
199.13245	9.8
199.14746	1.2
201.16364	0.9
207.13853	0.9
209.11668	3.7
211.13269	1.4
215.17885	0.7
217.14244	1.9
227.12740	5.5
229.14319	47.7
230.14799	0.9
241.19443	1.0
243.20992	3.5
245.13907	2.5
255.15935	0.8
257.13861	1.0
259.15594	0.8
259.20612	2.5
261.22107	14.8
267.15903	4.7
275.20218	1.1
277.21811	1.1
283.15497	2.0
289.21771	1.9
299.15088	0.8
299.23978	1.0
301.16422	16.9
301.21652	0.8
315.23233	1.6
317.24765	2.7
319.17380	0.9
327.23309	0.8
333.24460	1.4
335.25751	79.8
336.26196	3.5
363.25424	2.0
385.63022	0.7
389.26865	1.0
397.30951	0.9
451.32254	1.5
459.34811	2.3
463.30438	1.0
465.20804	4.0
466.21082	4.3
469.33499	1.6
477.35651	9.4
489.35721	17.8
507.37119	1.2
515.37427	0.9
517.35889	1.0
525.36157	1.3
543.36780	5.8
561.37787	11.8
579.38733	1.7
672.41956	4.6
689.34845	3.2
690.35327	23.0
691.35858	2.1
758.41467	3.7
776.42981	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	776.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
55.05504	9.3
56.05040	0.5
57.03180	0.3
57.03432	3.6
57.07056	0.6
58.06591	0.5
59.04980	0.9
59.49612	0.2
60.08158	5.0
61.02922	1.2
65.03918	0.8
67.05495	24.2
68.05815	0.2
69.03411	0.9
69.06712	0.4
69.07059	4.5
71.01349	0.3
71.04999	1.1
71.07365	2.4
73.02899	0.4
77.52000	0.2
79.05482	11.9
81.03413	2.1
81.07047	15.4
82.07393	0.3
83.04973	1.5
83.08610	3.7
85.02898	3.5
85.06522	1.0
86.09694	25.0
87.04475	1.2
91.03929	0.6
91.05473	7.2
93.07031	11.2
94.07397	0.2
95.04958	1.8
95.08593	11.3
97.02866	1.2
97.06527	1.3
97.10157	4.8
98.21513	0.5
98.98448	2.7
99.04429	0.4
99.08088	0.4
103.03888	0.4
104.10724	2.0
105.07012	4.6
107.04955	0.6
107.08578	7.3
109.06486	1.0
109.10144	13.0
110.10466	0.3
111.04436	0.5
111.08054	1.1
115.05463	0.2
117.07007	2.1
118.32458	0.2
119.08561	4.6
121.06466	0.4
121.10125	5.8
123.08051	0.5
123.11693	1.3
124.99989	17.7
125.09619	4.5
127.03895	0.3
129.06963	0.4
131.08545	3.3
133.10114	3.4
135.08018	0.5
135.11659	3.5
137.09584	1.1
137.13240	0.4
139.11150	0.8
141.06981	0.2
143.01021	0.3
143.08492	0.5
143.10640	0.9
145.10104	2.6
147.08054	0.3
147.11676	2.0
149.09598	0.8
149.13208	1.5
151.11160	0.5
153.12674	0.3
155.08508	0.4
155.10617	0.6
157.10086	0.6
159.11646	1.7
161.09552	0.4
161.13234	1.1
163.11153	1.3
163.14778	0.8
165.12694	0.4
166.02530	0.3
169.10083	0.4
171.11667	0.5
173.11713	3.5
173.13255	1.4
175.14761	0.6
177.12643	0.3
177.16280	0.4
181.12209	0.3
183.11719	0.4
184.07317	100.0
185.07718	1.1
185.09120	0.2
185.13231	0.4
187.14799	0.8
189.11162	0.5
191.10654	0.6
191.14452	0.3
193.12244	0.6
197.13211	0.2
199.13245	2.6
199.14850	0.3
209.11636	1.4
211.13263	0.5
217.14267	0.4
227.12750	2.0
229.14313	11.8
229.40735	0.3
233.22374	0.2
241.14398	0.3
241.19595	0.4
243.21013	1.1
245.13765	0.7
257.13950	0.3
259.20596	0.6
261.22089	4.0
267.15805	1.3
271.20511	0.3
275.19705	0.4
277.21585	0.4
283.15323	0.8
289.21515	0.4
297.21591	0.3
301.16431	4.9
301.21744	0.3
315.23145	0.6
317.24716	0.8
319.17072	0.3
327.23077	0.6
333.24292	0.4
335.25760	23.5
336.26074	1.1
337.26651	0.2
358.26474	0.3
363.25232	0.8
389.26736	0.3
389.63705	0.3
433.30963	0.3
451.32016	0.5
459.34842	0.4
477.35660	3.2
489.35754	5.3
490.35983	0.4
516.64880	0.3
525.35498	0.6
543.36542	2.1
561.37756	3.7
579.38739	0.8
672.42255	5.0
673.42297	0.5
757.58020	0.3
776.45795	3.9
777.43274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.1
55.05507	0.3
56.05026	0.7
57.03422	0.2
57.07054	0.1
58.06565	1.1
59.07357	0.7
60.08153	5.6
67.05493	1.0
69.03423	0.1
69.07051	0.3
71.04981	0.1
71.07362	2.7
71.62544	0.1
79.05481	0.6
80.96886	0.1
80.97401	0.1
81.03397	0.2
81.07040	0.9
83.04951	0.1
83.08605	0.2
85.02921	0.1
86.09692	28.8
87.10019	0.3
91.05474	0.5
93.07031	0.6
95.04948	0.2
95.08604	0.2
97.02859	0.1
97.06498	0.1
97.10148	0.1
98.98445	2.2
99.04435	0.1
104.10724	3.5
105.07024	0.4
105.11116	0.1
107.08583	0.3
109.06488	0.1
109.10162	0.2
111.08059	0.1
114.53911	0.1
117.06987	0.1
119.08562	0.3
121.06493	0.1
121.10153	0.2
123.04282	0.1
124.99982	18.8
125.09625	0.1
126.00394	0.1
131.08546	0.2
133.10075	0.2
135.08031	0.1
135.11676	0.1
137.09503	0.1
143.01041	0.2
145.10133	0.1
147.11639	0.1
149.09650	0.1
149.13216	0.2
157.10124	0.1
159.11717	0.2
163.01321	0.1
163.11026	0.1
165.03123	0.1
166.02611	0.1
171.11752	0.1
183.33549	0.1
184.07309	100.0
185.07668	1.1
193.12161	0.1
195.13982	0.1
211.13322	0.1
222.08856	0.7
224.10483	0.3
227.12798	0.1
229.14548	0.1
238.08496	0.1
238.90065	0.1
240.09929	0.1
269.17419	0.4
275.19931	0.2
349.23657	0.1
354.13339	0.1
423.27454	0.3
450.22412	0.1
463.30362	0.5
491.22543	0.1
509.23889	0.2
522.24658	0.2
543.36853	0.3
561.37396	0.2
575.31927	0.1
607.34650	0.1
622.33337	0.7
623.34430	0.1
648.34650	0.2
672.35059	0.6
676.12256	0.1
678.35962	0.2
690.35822	0.4
740.41602	0.1
742.42822	0.4
748.29498	0.1
758.42145	0.7
776.43292	3.2
777.43121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.2
55.05509	0.5
56.05023	0.5
57.03428	0.2
58.06563	0.9
59.07361	0.5
60.08150	4.9
61.02905	0.4
63.70108	0.1
67.05490	1.8
69.03414	0.4
69.07038	0.6
69.53512	0.4
69.53932	0.3
70.06582	0.1
71.04979	0.5
71.06962	0.2
71.07355	2.7
73.02901	0.3
79.05476	1.0
81.03404	0.7
81.07040	1.4
83.04960	0.3
83.08595	0.4
85.02879	0.4
85.06537	0.1
86.09686	25.8
87.09496	0.1
87.10020	0.3
91.03933	0.2
91.05468	1.1
93.07013	1.2
94.07322	0.1
95.04958	0.5
95.08586	0.6
97.02852	0.4
97.06486	0.2
97.10145	0.2
98.20708	0.2
98.98438	2.1
101.02335	0.1
104.10719	2.3
105.07002	0.7
107.04931	0.2
107.08572	0.8
109.02878	0.1
109.06477	0.2
109.10151	0.8
111.08047	0.1
113.05946	0.1
117.07001	0.5
119.08545	0.8
121.06474	0.1
121.10120	0.4
123.04496	0.1
123.08034	0.1
124.99978	17.0
125.09620	0.1
127.03894	0.1
129.06967	0.2
131.08556	0.4
133.10088	0.5
135.08018	0.2
135.11635	0.3
137.09595	0.1
141.07167	0.1
143.01024	0.3
143.08524	0.2
145.10127	0.4
147.07965	0.1
147.11676	0.3
149.09584	0.2
150.75131	0.1
151.11139	0.1
157.10115	0.2
159.11662	0.3
161.13260	0.1
163.01443	0.1
163.11137	0.3
166.02638	0.1
166.39262	0.1
171.11711	0.1
173.11743	0.1
173.13176	0.1
175.11140	0.1
184.07300	100.0
185.07660	1.0
193.12181	0.2
211.13217	0.1
222.08884	0.4
223.13316	0.1
224.10365	0.3
227.12663	0.1
240.09880	0.2
243.08392	0.2
255.15836	0.2
259.20462	0.2
267.15833	0.2
269.17297	0.2
275.19910	0.3
282.11011	0.1
285.16840	0.3
287.18457	0.3
291.19415	0.1
333.24191	0.1
335.07678	0.1
349.23529	0.2
351.24191	0.1
409.25214	0.1
423.27118	0.3
435.27164	0.2
449.28806	0.2
463.30649	0.1
467.18820	0.2
469.20178	0.4
481.31088	0.2
503.33420	0.4
504.23215	0.1
529.34949	0.1
543.36743	0.4
549.25830	0.1
561.36975	0.3
579.37732	0.1
586.31146	0.2
641.40308	0.1
690.24811	0.1
690.35992	2.1
691.35693	0.2
742.42639	1.4
743.42584	0.1
758.41882	0.2
776.43109	0.8
777.40125	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	775.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
55.05502	3.4
55.89449	0.3
56.05830	0.3
56.23162	0.2
57.03425	2.9
57.07078	0.4
58.03770	0.3
60.08171	0.3
61.02919	4.7
63.63283	0.3
65.03925	0.8
67.05492	9.0
68.05817	0.7
69.03416	3.6
69.07054	4.1
71.01362	0.4
71.04980	1.2
71.62664	0.3
71.63081	0.3
73.02905	3.2
79.05478	9.8
80.05811	0.7
81.03406	5.2
81.07045	9.6
82.03698	0.2
82.07384	0.9
83.04974	1.8
83.08604	2.0
84.08910	0.3
85.02888	5.2
85.06519	0.6
86.09686	1.7
87.04468	0.3
91.03934	2.6
91.04893	0.5
91.05466	8.8
92.05814	0.8
93.07027	8.6
94.07381	0.8
94.57656	0.3
95.04952	3.7
95.08594	5.2
97.02872	4.6
97.06517	1.5
97.10164	0.8
99.04457	1.0
99.08047	0.4
101.02341	1.7
103.03953	0.4
105.07014	5.7
106.07359	0.7
107.04950	1.3
107.08575	4.8
108.09001	0.3
109.02855	0.9
109.06512	1.1
109.10153	1.9
111.00466	0.2
111.08062	1.1
115.03938	0.4
116.77197	0.3
117.06987	1.7
119.08564	4.2
120.08911	0.3
121.02840	0.3
121.06512	0.5
121.10124	1.7
122.10526	0.3
123.08072	0.9
123.11727	0.5
125.00006	1.1
125.09605	0.5
127.03933	1.7
129.05504	0.3
129.06973	1.9
131.08565	1.7
133.10106	3.8
135.08104	0.6
135.11681	2.0
137.09624	0.8
139.03839	0.2
140.64346	0.2
141.06985	0.3
143.08534	1.2
145.05025	0.3
145.10103	2.3
146.10457	0.4
147.08051	0.5
147.11668	3.4
149.09644	0.9
149.13264	1.0
157.10136	0.9
159.11716	1.0
160.12077	0.4
161.09662	0.4
161.13235	1.2
163.11191	0.9
171.11662	2.1
173.13232	0.5
174.95999	0.3
175.11176	0.6
184.07326	6.5
185.04234	0.9
185.07748	0.6
189.12753	0.5
193.12280	1.0
194.12558	0.5
195.13857	0.5
196.14056	0.3
203.05299	0.8
207.13850	0.5
211.13216	1.3
212.13715	0.5
227.12788	0.3
228.13185	0.3
243.08365	4.1
247.12993	1.7
259.20743	0.8
260.20844	0.6
267.15903	0.6
269.17505	1.6
270.17871	0.4
275.20178	0.8
281.17535	0.9
285.16965	1.4
286.17343	0.4
303.15732	0.8
331.87863	0.3
333.20419	2.6
333.24133	0.6
334.24576	0.5
338.31384	0.3
346.62256	0.3
349.23700	0.5
350.24237	0.5
389.22864	0.7
423.27448	0.5
424.27478	0.4
439.19418	1.1
453.21249	0.8
465.20859	12.7
466.21933	0.4
469.20322	0.3
479.29941	0.5
480.30579	1.0
506.67203	0.3
543.36749	0.5
544.37000	1.8
545.37537	0.4
551.28229	6.3
551.36206	0.5
552.28674	0.3
560.36908	0.5
577.37054	0.4
578.37482	0.6
613.36847	0.6
775.42242	100.0
776.42590	6.9
803.41534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.7
57.03407	0.5
59.21769	0.2
61.02901	0.5
64.15419	0.2
65.03624	0.3
65.03929	2.1
67.05466	1.0
69.03422	2.2
70.06554	0.3
71.04915	0.2
71.62738	0.4
73.02874	0.4
77.03879	0.2
78.04697	1.9
79.05470	1.6
81.03374	1.0
81.07030	0.5
82.00529	0.2
82.04183	0.6
83.04940	0.2
83.08575	0.3
85.02423	0.2
85.02893	3.5
91.05468	3.3
93.03367	0.8
93.07027	0.4
94.04174	0.2
95.04945	1.5
96.05716	0.3
96.23436	0.3
97.02883	1.3
97.06486	0.6
99.04360	0.4
101.02365	0.2
103.05450	1.7
105.03366	0.4
105.06985	0.6
106.04132	1.3
107.04971	1.7
107.08537	0.3
108.02038	0.4
109.02839	0.6
109.10163	0.3
110.03671	1.2
111.04402	0.8
115.05432	4.9
117.06213	0.5
117.07000	7.7
117.54968	0.2
119.04928	2.6
119.08557	0.3
121.02850	0.3
121.06503	0.3
121.10130	0.6
122.03612	0.4
123.04407	7.3
124.05196	2.2
125.05962	1.1
127.05403	1.2
130.04109	0.4
131.04924	1.2
132.05638	0.4
133.02829	0.6
133.06427	0.5
134.03578	0.7
135.04419	0.4
137.02315	0.3
137.04985	0.4
137.05957	5.4
137.09601	0.4
138.03093	0.6
139.03949	0.4
142.02594	1.0
143.04875	0.4
144.05746	0.4
144.08066	0.2
145.06462	12.3
146.06848	0.3
147.04384	4.1
147.07973	0.5
149.05917	0.4
151.03932	1.6
151.07529	1.1
152.04648	1.6
153.05397	1.0
155.04819	0.4
155.06000	3.5
157.06442	0.3
159.04362	0.5
160.05151	0.5
161.05937	0.7
163.03859	0.3
165.05402	0.6
165.09088	0.3
167.07010	100.0
168.07359	1.7
171.06485	2.1
172.05208	0.5
173.05959	21.5
174.06471	0.4
175.07469	1.6
177.05478	0.4
179.07042	1.2
181.04924	44.1
182.05264	0.6
187.03955	0.3
188.04616	0.5
189.05518	0.5
190.06229	0.3
191.06978	1.2
195.06476	0.3
197.07938	0.2
201.05426	1.1
203.07002	1.8
205.08565	5.2
207.06590	0.4
213.18587	0.3
219.06497	0.7
221.07956	0.5
231.06512	0.7
233.05806	0.4
233.08047	6.1
234.08847	0.3
235.07558	0.3
235.09605	4.4
237.09158	0.4
239.07097	0.3
250.06059	0.4
256.69324	0.3
265.00449	0.2
265.08646	0.6
267.10150	0.3
279.06418	0.5
279.25656	0.3
282.08896	0.3
283.09607	0.3
288.45081	0.3
293.08096	0.7
294.08734	0.3
295.05954	0.3
297.11261	0.6
298.11972	0.3
309.07523	0.3
310.08344	0.9
311.08951	0.3
325.10657	1.5
325.14014	0.3
326.11551	0.7
329.13910	0.3
337.11108	0.3
342.11014	0.3
353.10138	0.5
355.11646	0.4
356.12302	0.3
357.13260	4.1
369.13089	0.4
385.12732	16.9
386.13208	1.0
387.14319	5.8
392.80099	0.3
397.12650	1.0
399.14307	0.7
400.19382	0.7
400.69223	0.5
401.19931	0.5
403.13858	1.2
415.13629	2.0
416.14691	0.8
417.15369	39.2
418.15677	1.3
561.55530	0.3
565.20685	0.3
577.18738	0.5
579.21136	0.5
595.20844	0.4
613.22681	9.3
614.22607	0.4
710.88312	0.3
775.27899	17.7
776.28339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05029	0.6
57.07056	0.2
58.06623	0.4
59.07355	0.1
60.08152	5.3
61.26416	0.1
67.05482	0.3
69.07054	0.2
70.04234	0.4
70.06586	0.2
71.07359	2.8
71.08617	0.1
79.05483	0.3
79.32758	0.1
80.97388	0.1
81.07032	0.3
83.08602	0.1
84.76440	0.1
85.10152	0.1
86.09689	26.3
87.10023	0.4
91.05477	0.2
93.07028	0.2
95.08575	0.2
97.10237	0.1
98.21371	0.1
98.98444	2.5
104.10725	2.0
105.07007	0.1
107.08586	0.1
124.99979	17.3
127.00314	0.1
133.10118	0.1
143.01007	0.3
149.13284	0.1
166.02618	0.2
184.07304	100.0
185.07672	1.3
186.07768	0.3
200.60802	0.1
200.75049	0.1
225.41449	0.1
291.19373	0.1
293.21097	0.1
496.33487	0.2
585.44519	0.1
602.44562	0.1
603.46155	0.4
756.55164	7.7
757.55286	0.5
793.51227	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	774.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.9
55.05504	24.0
57.03427	13.5
57.07061	3.3
59.04990	1.7
61.02915	3.7
65.03915	4.3
67.05496	87.2
69.03419	6.4
69.07059	23.3
71.04983	36.9
71.08581	1.8
71.62373	2.4
71.62746	1.8
73.02900	4.1
79.05482	51.5
81.03392	10.5
81.07043	100.0
83.04968	6.9
83.08616	16.8
85.02895	6.8
85.06523	9.5
86.09681	10.7
91.05465	73.6
93.07029	63.5
93.07621	2.8
95.04955	12.1
95.08589	39.5
97.02857	3.9
97.06525	13.7
97.10139	7.0
99.08096	4.5
105.07011	59.3
107.04939	4.6
107.08572	37.7
109.06488	6.8
109.10139	22.6
111.04455	1.9
111.08045	5.3
115.05411	1.9
117.06993	19.9
119.08565	45.8
121.06477	3.5
121.10130	27.4
123.08047	3.2
123.11671	15.5
124.99994	7.3
125.09603	8.1
128.06213	2.5
129.05457	3.4
129.06979	9.5
131.08560	30.9
133.10107	46.2
135.08044	3.1
135.11678	19.6
137.09579	4.5
137.13292	2.5
139.11145	4.5
141.06906	2.3
143.08580	10.1
145.10100	18.5
147.08029	2.6
147.11670	25.1
149.09592	4.5
149.13243	8.8
151.11174	11.7
155.08527	3.9
157.10123	12.5
159.11664	23.8
161.09659	2.5
161.13208	12.5
163.11118	3.8
163.14781	2.4
165.12729	2.6
169.10101	4.7
171.11688	10.9
173.13199	11.3
175.11249	1.5
175.14828	3.8
177.12682	4.6
179.10631	1.7
181.10165	1.7
183.11681	5.8
183.13797	3.0
184.07317	37.7
185.07703	1.5
185.11813	1.6
185.13202	8.3
187.11353	1.5
187.13248	5.5
187.14854	3.9
193.12286	3.3
195.11755	2.4
195.13768	3.9
197.13281	3.5
199.14824	5.4
201.14809	2.9
201.16440	1.7
227.12698	2.5
229.14265	2.1
231.21196	4.4
241.19441	11.2
243.08261	2.3
243.15868	3.5
243.20961	2.7
257.17432	6.0
259.20630	27.0
261.22177	3.0
267.15912	5.3
269.17279	7.9
271.20630	1.9
275.20032	2.7
277.21317	2.4
283.15372	3.8
285.16971	3.2
285.22134	1.7
299.15067	2.3
299.23730	1.8
301.20044	26.1
315.23187	5.8
317.15839	3.1
333.24191	33.7
335.25894	8.2
391.29971	3.2
409.31049	4.2
427.32294	1.7
435.32446	7.2
453.33475	3.4
465.20721	3.6
466.20978	2.8
477.28256	2.4
483.34793	7.6
501.35666	72.7
503.37500	3.0
509.36011	5.4
527.37213	66.2
528.37231	2.2
533.38373	6.4
543.36566	4.6
545.38501	9.3
550.27032	2.1
559.40167	22.0
577.37933	3.3
653.40668	1.9
671.41119	1.9
689.41949	2.3
710.43243	1.7
742.81384	1.9
774.40881	45.2
775.40271	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	774.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.7
55.05502	17.0
57.03429	19.8
57.07043	2.2
57.81452	0.6
59.04978	0.9
61.02914	0.9
62.35498	0.6
65.03912	2.8
67.05495	59.3
69.03431	3.5
69.06713	1.1
69.07057	14.9
70.06982	3.5
71.04984	4.1
79.05481	40.2
81.03405	84.5
81.07043	59.6
83.04974	5.2
83.08606	23.2
85.02866	0.9
85.06503	2.1
89.35480	0.6
91.04881	1.0
91.05466	30.3
93.07028	49.2
95.04954	27.5
95.08591	43.2
97.02857	3.1
97.06513	4.7
97.10154	6.9
98.21458	0.9
99.08047	1.5
105.04538	0.8
105.07014	23.7
107.04941	8.3
107.07845	1.6
107.08572	27.1
109.02760	0.7
109.06494	5.0
109.10137	18.7
111.04411	2.1
111.07462	0.7
111.08070	8.0
113.09602	0.7
115.05430	1.0
117.06990	8.8
119.08568	21.1
121.06507	3.4
121.10120	25.0
123.04388	2.0
123.08065	3.5
123.11677	8.3
124.99921	0.9
125.09605	3.3
128.06166	0.8
129.06998	9.8
131.07564	1.0
131.08546	20.1
133.06459	3.0
133.10103	16.0
135.07997	1.1
135.11673	13.1
137.09567	2.9
137.13235	1.9
141.06906	0.7
142.07759	2.7
143.08525	2.7
145.06493	0.6
145.10103	9.4
147.04414	0.8
147.08038	4.0
147.11659	13.0
149.09595	5.2
149.13225	7.4
151.11157	1.0
157.10123	10.5
159.11664	7.6
161.09544	1.0
161.13234	5.5
163.11110	2.9
163.14778	3.5
165.12697	2.4
167.08466	0.7
169.10165	1.1
171.11644	3.1
173.09468	0.9
173.13249	5.9
175.11148	9.4
175.14793	2.0
177.12726	1.3
177.16328	0.7
179.14464	0.6
183.11688	1.6
184.07268	2.2
185.13223	1.3
187.14809	3.2
189.11188	3.5
189.12662	0.8
189.16359	0.8
191.14291	0.8
193.12210	23.2
197.13263	1.3
199.14815	1.3
201.16324	1.3
203.14450	0.8
211.13235	2.6
213.16432	0.9
225.14740	0.7
227.12715	5.6
230.27521	0.7
235.13138	1.3
243.21074	5.8
247.17001	1.1
249.14781	3.0
259.13293	1.2
261.22095	18.2
265.14365	0.9
267.15869	100.0
268.16290	1.6
273.14740	1.1
279.23105	1.9
285.21939	1.3
299.23798	0.8
301.25211	4.7
309.16959	2.3
317.24857	3.5
333.24469	0.7
335.25745	89.7
336.26166	3.6
337.16409	0.7
337.27762	0.8
343.22601	1.1
359.25604	1.4
403.24899	0.9
417.26151	1.2
417.31317	1.2
421.25687	3.4
425.34332	1.2
431.28671	0.7
435.27274	3.3
435.32584	4.9
453.33618	6.7
461.28912	1.1
471.34900	3.3
475.30234	1.1
481.93134	0.9
509.36365	1.5
527.37244	65.3
528.37738	3.4
545.38287	61.1
546.38562	3.8
559.39832	2.9
569.38080	4.0
577.41064	1.8
587.38129	1.1
623.39526	1.3
671.41681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	11.7
55.05254	2.7
55.05503	34.9
57.03430	32.4
57.07076	2.9
59.05001	2.1
61.02923	9.7
65.03928	6.6
67.05493	84.2
69.03419	13.1
69.07059	28.5
70.87461	2.2
70.87807	3.2
71.04994	10.0
71.08620	3.4
73.02903	3.6
78.68371	1.4
79.05479	85.2
80.05788	1.8
80.06231	1.4
81.03404	67.0
81.07044	97.8
82.04189	2.5
83.04968	27.0
83.08605	33.4
85.02891	32.1
85.06535	4.5
91.03967	3.2
91.05464	100.0
92.05782	2.7
93.07030	82.7
95.04955	38.2
95.08591	45.5
96.98730	1.4
97.02885	9.1
97.06528	16.5
97.10133	10.9
98.09706	1.9
99.04478	2.7
99.08070	7.0
101.02355	1.6
103.05431	3.2
105.04544	1.9
105.07015	89.3
107.04944	11.5
107.08578	43.3
109.06510	9.9
109.10133	17.5
111.04432	3.6
111.08061	15.7
113.05943	2.8
115.05452	4.5
116.04689	4.2
116.06186	2.6
117.07005	27.0
119.04935	1.6
119.08564	70.8
121.06484	6.8
121.10117	32.5
123.08045	6.9
123.11699	4.3
125.09595	8.0
127.03932	5.1
128.06232	3.1
129.05492	13.4
129.06978	24.1
131.08545	43.5
133.06462	4.1
133.09097	3.1
133.10112	57.1
134.10428	1.8
135.08069	4.2
135.11665	16.8
137.09581	6.7
138.23363	1.9
139.11089	2.6
141.06931	2.4
142.07739	4.9
143.07013	2.8
143.08543	11.6
145.04895	1.7
145.10098	27.3
147.08046	6.8
147.11668	52.5
148.12025	1.7
149.09602	15.0
149.13242	14.8
151.11160	2.7
153.09094	1.8
155.08537	4.2
157.08632	4.6
157.10127	25.9
159.11658	22.1
161.09601	2.4
161.13248	17.6
163.11075	7.3
165.12770	4.6
169.10141	6.3
171.11641	15.6
173.04413	1.9
173.09671	1.8
173.13214	13.0
175.11151	16.2
175.14813	8.7
177.12753	6.0
179.14412	3.2
183.11679	3.5
184.07260	9.8
185.13219	7.4
187.11211	2.1
187.14755	3.6
189.11188	4.0
189.12799	3.0
193.12224	49.5
193.14015	2.4
195.11734	2.2
195.13765	5.5
197.13235	3.6
199.13199	2.0
199.14882	5.4
200.14040	1.7
201.12825	1.5
203.14284	1.6
209.13367	1.5
211.13251	67.7
212.13617	4.1
227.12814	5.2
229.14252	3.0
229.19638	1.7
231.17387	1.7
231.21088	2.1
239.17999	2.5
241.19481	18.1
247.20706	1.6
250.30449	1.5
253.14343	1.6
257.18979	9.6
259.20551	43.9
260.20795	2.9
267.15900	22.9
269.17459	15.0
275.20053	18.0
277.21494	2.0
283.15488	1.6
285.16934	57.8
286.17258	1.9
301.16385	19.1
313.21637	2.3
315.23126	4.2
331.22809	2.0
333.24225	38.2
349.23779	9.6
352.40298	1.6
357.69580	1.4
433.30881	2.4
451.32037	3.5
461.28998	8.0
479.29996	27.8
480.30304	2.3
507.34561	2.2
525.35541	16.7
541.35278	3.8
543.36700	32.0
544.37292	4.3
559.36053	12.3
577.37128	5.3
693.10052	1.9
775.40918	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	6.4
55.05502	23.6
57.03427	17.9
57.07056	1.2
61.02908	3.4
65.03946	2.0
67.05493	58.7
69.03426	8.3
69.07056	25.2
69.28551	2.7
69.28963	8.4
71.01349	1.4
71.04990	8.1
71.05330	1.4
73.02905	2.7
79.05478	52.1
81.03406	66.4
81.07043	69.2
83.04962	21.0
83.08604	31.1
85.02414	1.9
85.02889	24.0
85.06522	4.4
86.09700	3.5
87.04434	1.2
91.03935	1.3
91.05467	53.1
92.05788	0.9
93.07030	48.6
95.04951	29.9
95.08592	28.9
95.09215	1.1
97.02886	8.0
97.06504	12.9
97.10156	8.0
99.04475	1.4
99.08055	4.4
103.05470	1.2
105.04465	1.2
105.07014	38.8
107.04937	11.7
107.08578	30.8
109.02864	1.6
109.06500	8.7
109.10144	11.2
111.04440	4.3
111.08065	13.5
112.87296	0.9
113.06046	1.2
115.05467	2.5
117.06979	13.5
119.04939	1.7
119.08561	32.4
121.06468	4.2
121.10120	20.7
123.08057	5.5
123.11710	3.9
125.00037	2.1
125.09579	4.8
127.03893	3.3
127.07560	1.2
128.06215	1.3
129.05507	1.7
129.06993	15.1
131.08546	23.0
132.09077	1.1
133.06479	3.6
133.10109	26.4
135.08044	3.0
135.11653	11.4
137.09592	3.0
142.07776	2.9
143.08542	2.9
145.06480	1.5
145.10106	11.8
147.08055	4.0
147.11662	23.3
149.09584	14.3
149.13229	11.8
151.11168	1.8
155.08594	2.2
157.10094	15.6
159.11665	9.8
161.13266	2.2
163.11125	6.5
165.12746	4.1
169.10110	2.2
171.11662	3.2
173.04446	2.5
173.13246	3.6
175.11159	15.6
177.12656	4.5
179.14250	1.5
181.12193	1.4
183.11661	1.5
184.07298	8.2
189.11177	1.7
193.12218	42.6
195.13782	5.9
205.12309	1.0
209.13332	1.0
211.13255	63.8
212.13704	1.4
222.20905	0.9
227.12715	2.6
229.24818	0.9
239.17964	1.8
249.14789	1.2
253.14386	1.1
255.15846	13.2
257.18939	6.3
267.12964	1.5
267.15869	31.1
269.17441	37.3
275.20032	21.2
285.16928	60.1
286.17346	2.8
293.20880	1.0
331.22565	1.9
339.18076	1.0
349.23700	19.4
350.23923	1.1
367.24808	4.4
369.24408	1.2
387.76346	1.0
413.21350	2.6
435.27496	1.3
439.27286	1.5
443.28076	4.7
447.27328	10.9
449.30173	1.1
461.28918	40.9
462.29108	3.1
465.28415	19.5
466.28381	1.2
479.29965	100.0
480.30219	6.2
523.34021	1.6
526.21857	1.1
541.35242	9.1
557.29224	1.0
559.36255	22.8
560.36530	2.6
577.37134	7.5
623.34253	2.7
699.72498	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.9
55.05259	2.2
55.05505	39.7
57.03431	24.2
57.07067	2.8
59.04982	3.6
61.02901	4.0
65.03936	3.9
67.05495	77.3
69.03424	12.2
69.06711	3.0
69.07063	40.3
71.01347	2.0
71.04990	9.6
73.02917	1.8
79.05482	73.7
81.03410	90.6
81.07045	100.0
83.04973	29.3
83.08610	40.6
85.02896	33.7
85.06517	5.3
86.09682	5.8
91.05474	79.2
91.05958	1.0
91.06071	2.4
93.06456	3.5
93.07034	59.1
95.04957	40.4
95.08598	38.4
97.02897	9.7
97.06508	21.5
97.10154	18.0
98.20680	3.8
99.04433	3.7
99.08088	2.3
103.05476	2.5
105.07015	60.5
107.04935	17.4
107.08583	45.3
109.02872	2.7
109.06501	12.2
109.10135	11.7
111.04424	6.3
111.08063	16.6
113.06023	2.8
113.09676	1.7
115.05431	3.6
117.07000	15.1
119.08568	45.7
121.06474	6.1
121.10127	29.9
123.08053	7.8
123.11676	6.1
124.99989	2.7
125.09618	15.3
127.03926	4.4
129.05476	3.1
129.06982	19.7
130.07782	1.6
131.08537	37.6
133.06497	4.6
133.10115	33.6
135.08043	3.8
135.11650	13.5
137.09615	4.7
141.06924	3.2
142.07784	3.4
143.08531	5.5
145.06445	1.9
145.10110	20.0
147.08037	5.6
147.10503	2.1
147.11656	30.5
149.09589	26.5
149.13240	8.1
155.08537	3.7
157.10107	22.9
159.11679	15.8
161.09604	2.5
161.13234	4.2
163.11162	12.5
165.12744	4.7
169.10101	3.9
171.10130	1.7
171.11568	2.4
173.04515	2.5
173.13239	5.8
175.11180	26.3
177.12732	3.1
178.42131	1.6
179.14302	3.7
181.12254	2.3
183.11642	4.0
184.07333	17.9
185.13272	2.5
187.11057	2.1
189.11214	8.3
193.12216	63.2
194.12303	2.0
194.28883	1.8
195.13786	3.2
197.13153	3.0
211.13266	90.0
227.12762	22.7
229.19432	3.2
229.32922	2.1
239.17917	4.9
241.35866	1.8
247.20662	2.6
253.18069	2.4
255.15845	8.0
257.18985	11.9
267.15863	37.5
267.18564	3.2
269.17453	18.1
275.20038	46.7
276.20212	2.1
285.16931	88.9
286.17175	2.6
293.20987	6.1
331.22604	3.8
349.23709	47.0
350.24011	2.2
367.14261	2.2
367.24655	3.5
437.25336	3.6
439.26846	4.5
447.27206	9.4
455.26294	5.0
461.29034	24.2
463.30215	3.4
465.28400	16.5
473.58206	2.1
479.30002	65.7
479.36899	3.2
480.30182	4.3
501.32562	1.7
523.34656	2.5
541.26959	2.4
541.35223	31.0
542.35492	2.2
559.36249	60.8
560.36279	4.7
577.37000	8.2
601.37933	1.8
623.34021	2.6
759.36652	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01658	0.9
55.01866	10.6
55.05499	32.7
57.03426	17.9
57.07059	2.8
59.04963	2.6
61.02914	6.6
65.03919	3.9
65.44065	1.0
67.05492	97.2
68.04996	2.5
69.03426	15.4
69.07053	40.8
69.46157	3.9
69.46587	6.3
71.01324	2.9
71.04985	9.2
71.08602	2.1
73.02887	4.9
76.12766	0.9
77.03943	1.0
79.05479	55.6
81.03402	24.3
81.07042	100.0
83.04970	15.8
83.08136	1.3
83.08605	21.6
85.02882	11.5
85.06523	7.1
86.09690	3.0
87.04456	1.4
91.03931	3.3
91.05462	58.3
93.07027	73.8
94.04178	1.5
95.04951	17.1
95.08586	42.8
97.02876	13.8
97.06510	15.1
97.10161	9.4
98.07275	1.4
99.04441	4.0
99.08073	4.2
105.07014	30.4
107.04923	8.9
107.08574	41.2
109.02847	3.9
109.06505	7.9
109.09460	2.1
109.10142	31.3
111.04420	3.6
111.08051	10.0
115.05472	2.5
116.04673	2.6
117.06985	13.8
119.04939	1.2
119.08566	22.0
121.06448	5.2
121.10126	21.9
123.08028	8.9
123.11680	7.2
125.09601	9.1
127.03902	6.9
129.05461	9.4
129.06972	5.0
131.08537	19.1
133.06493	1.7
133.09097	1.8
133.10104	27.8
135.08011	5.7
135.11682	20.1
137.09590	12.0
139.11169	1.8
141.09050	1.6
143.08527	3.8
145.04924	2.2
145.10080	7.1
147.07980	2.1
147.11662	14.4
149.05969	1.2
149.09589	16.9
149.13232	17.5
151.11147	4.6
153.09068	1.1
155.10677	2.0
157.10110	4.6
159.11659	13.7
161.09587	3.0
161.13214	3.4
163.11111	4.2
165.12701	3.1
166.13593	1.1
167.10675	1.0
167.14236	2.0
169.10031	1.6
171.10159	1.2
171.11626	2.6
173.04420	3.5
173.11702	10.2
173.13161	2.5
175.11169	3.1
175.14720	1.3
177.12735	7.9
179.10612	1.9
179.14261	5.3
180.08630	1.4
181.12198	2.0
183.11748	1.4
184.07286	10.2
184.13292	1.4
187.13217	1.4
189.11130	3.0
193.12225	3.1
195.13763	20.8
199.13205	2.4
199.14879	1.5
209.70584	1.1
211.13197	1.6
213.14766	3.1
222.08983	1.1
223.13249	1.6
227.12718	5.2
229.14326	12.1
233.15269	1.2
241.17761	1.3
243.15921	5.2
251.16295	1.2
253.14331	4.0
255.15758	8.2
257.18942	1.5
259.20428	2.9
267.15851	10.7
269.17426	65.4
270.17783	1.7
273.18463	3.4
275.20020	9.1
277.21558	2.0
283.15335	1.2
285.16864	9.0
291.19485	10.1
291.22772	2.3
293.21136	1.8
297.16925	2.1
299.14984	2.6
301.16428	2.6
315.23145	1.1
333.24155	2.7
349.23712	13.2
351.25177	1.3
356.65164	1.0
365.23038	6.0
365.26910	3.0
373.18503	6.9
383.27942	4.7
393.26212	1.6
411.27219	2.4
420.28363	3.2
423.27338	37.0
424.27966	1.7
437.28964	12.1
449.29019	7.0
461.28842	3.8
462.29605	3.0
463.30426	2.9
465.28384	1.4
479.29724	4.8
543.36768	17.1
544.36768	1.8
559.35986	3.9
561.37616	4.0
567.31732	4.0
577.37006	5.6
774.40588	1.5
775.42694	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.2
55.05253	2.3
55.05503	31.5
57.03428	24.6
57.07059	2.5
59.04979	1.7
61.02920	7.0
65.03935	5.4
66.48718	1.1
67.05497	72.1
68.05815	1.5
69.03421	12.3
69.06705	2.1
69.07063	29.3
69.37815	7.5
69.38241	5.0
71.01332	1.3
71.04979	8.6
73.02899	3.4
73.06544	1.3
76.06011	1.1
77.03906	1.5
79.05483	77.3
80.05837	3.0
81.03407	67.6
81.07047	89.1
82.03729	1.8
82.07368	3.5
83.04967	26.7
83.08607	34.0
85.02899	27.8
85.06527	4.2
86.03242	1.9
86.09694	5.8
91.03934	2.6
91.05470	100.0
92.05807	3.8
93.07034	74.8
94.07366	2.4
95.04958	39.8
95.08595	43.1
96.08936	1.5
97.02882	8.2
97.06507	15.3
97.10162	8.4
98.20683	2.4
99.04445	3.5
99.08070	7.2
103.05440	1.4
105.04509	1.7
105.07015	82.5
106.07336	3.0
107.04930	13.2
107.08578	40.8
108.08897	2.0
109.06519	12.5
109.10143	18.2
110.10475	2.5
111.04439	3.8
111.08057	16.1
113.05992	2.7
115.05444	4.7
116.06208	1.9
117.07001	21.1
119.08563	65.3
120.08927	2.8
121.06509	6.8
121.10131	29.6
123.08049	8.4
123.11681	4.3
124.99989	4.3
125.09614	5.1
127.03916	5.1
128.06210	2.9
129.05544	6.4
129.06982	23.7
131.08554	38.2
133.05562	1.2
133.06477	5.4
133.10115	53.5
134.10451	1.9
135.08054	5.2
135.11671	17.7
137.09628	5.2
141.06946	3.3
142.07794	4.2
143.08527	9.1
145.10097	24.3
147.08012	6.2
147.11670	46.8
149.09604	17.7
149.13239	14.3
151.11200	2.6
152.11517	2.0
155.08588	2.0
157.10103	23.5
159.11691	20.4
161.09656	1.8
161.13237	16.8
163.11195	8.0
163.14716	2.0
165.12737	5.2
169.10181	2.8
169.33328	1.3
171.10229	2.1
171.11632	13.2
173.11847	2.0
173.13216	8.2
175.11151	19.7
175.14790	3.8
177.12737	3.4
179.14302	3.2
183.11710	3.8
184.07326	21.4
185.07643	1.4
185.13243	5.5
187.14775	1.8
189.11174	1.6
189.12758	2.8
189.16324	1.6
193.12219	51.5
194.12578	2.7
195.11795	2.0
195.13779	5.7
195.47725	1.5
197.13229	2.3
199.14798	5.8
207.13696	1.4
211.13255	71.8
213.16454	2.1
217.15770	1.7
227.12759	4.2
229.14290	2.3
231.10329	1.4
231.21007	3.0
239.17957	3.6
241.19484	16.0
249.14931	1.6
253.14383	4.1
254.14661	4.4
257.18994	7.5
259.20544	46.3
260.20963	2.7
267.15869	27.2
269.17447	19.4
273.18430	2.2
275.20035	15.7
277.21609	1.9
281.17453	1.6
283.15323	2.5
285.16925	60.4
286.17310	5.1
291.19601	4.6
293.20795	2.8
301.16614	1.5
315.23129	2.9
333.20331	2.3
333.24197	37.2
334.24460	2.3
349.23605	12.5
351.23502	1.7
355.51746	1.4
366.23560	2.8
413.21713	1.4
433.30753	3.8
439.26645	1.6
451.31891	5.2
461.28839	10.2
465.27536	1.7
469.32861	4.1
479.29980	34.2
480.30142	3.6
482.28384	2.4
507.34683	2.7
515.37408	2.1
525.35632	17.5
526.35663	1.7
541.34888	3.1
543.36743	51.7
544.36932	5.8
559.36340	8.4
561.37830	1.8
576.35999	2.1
577.36523	6.0
639.85199	1.4
775.40253	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	774.46
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.1
55.05256	1.8
55.05500	22.9
56.05832	1.2
57.03429	9.5
57.07047	2.4
60.08148	6.0
61.02906	5.0
62.26311	0.9
65.03926	2.9
65.51492	0.9
66.10378	1.0
67.05492	51.4
68.05817	3.1
69.03414	6.4
69.07053	25.4
69.89394	3.6
69.89803	2.0
70.07383	1.6
71.04967	4.4
71.07355	3.2
71.08608	1.3
73.02890	4.8
77.03896	1.6
79.05479	46.1
80.05813	2.1
80.06245	1.0
81.03408	22.8
81.07041	57.4
82.07367	4.1
83.04964	11.2
83.08604	15.0
85.02881	7.1
85.06519	4.2
86.09689	30.4
86.10134	0.6
86.10217	1.2
91.03928	2.6
91.05464	52.6
92.05808	2.8
93.07025	45.8
94.07348	2.4
95.01305	2.0
95.04952	19.7
95.08591	30.7
96.08913	2.5
97.02892	8.1
97.06513	11.4
97.10158	6.7
98.10465	1.1
98.21539	1.3
98.98447	2.8
99.04430	2.1
99.08064	2.5
103.05477	1.5
104.10742	2.9
105.04562	1.2
105.07014	46.5
106.07324	4.0
107.04924	11.1
107.08575	25.2
108.08903	2.4
109.02862	1.7
109.06525	6.7
109.10134	16.0
110.10458	1.2
111.04412	1.8
111.08086	5.0
113.06002	1.1
115.05436	1.7
116.04684	1.4
117.06994	14.9
119.08559	32.4
120.08902	2.4
121.06476	6.4
121.10125	12.7
123.08041	5.9
123.11649	3.3
124.99984	17.3
125.09592	5.3
127.03901	2.3
128.06197	2.9
129.05478	3.6
129.06973	10.0
131.08542	19.6
132.08878	2.3
133.06487	2.0
133.10106	25.0
134.10434	2.9
135.08032	5.7
135.10809	1.2
135.11685	11.7
136.12027	1.7
137.09593	3.9
141.06981	1.5
142.07716	1.4
143.08545	7.4
145.06482	1.6
145.10091	18.8
146.10487	2.4
147.08018	3.0
147.11664	16.9
148.11925	2.1
149.09567	7.9
149.13214	5.2
150.09897	1.1
151.11134	4.0
153.12703	1.7
155.08502	3.9
156.25186	1.1
157.08633	1.8
157.10083	10.2
159.11667	9.3
160.12012	1.3
161.09581	2.3
161.13219	5.3
163.11148	8.9
165.12741	1.5
169.10051	3.7
171.10292	1.1
171.11635	5.7
171.12973	1.0
173.11713	1.8
173.13219	4.0
175.11121	4.1
175.14690	2.2
177.12701	3.1
179.14278	2.8
180.14549	1.2
181.10036	2.0
181.12183	1.9
183.11636	3.9
184.07306	100.0
185.07648	2.7
185.13246	1.9
187.11279	1.1
187.14726	1.2
189.11104	2.5
189.12686	2.3
189.46014	1.1
191.10616	1.2
193.12180	6.2
195.13826	2.9
197.13211	2.2
199.14842	1.5
201.12744	1.4
211.13213	6.8
221.13162	1.2
223.13011	1.7
227.12686	6.8
228.12965	1.2
229.14308	2.5
239.17984	1.4
241.19475	2.8
243.08395	2.1
253.14346	3.5
255.15932	3.0
257.18915	7.0
259.20425	6.8
267.15894	13.3
268.16345	1.2
269.17419	9.4
273.18463	2.3
274.18985	1.3
275.20044	13.4
276.20456	6.2
277.20709	2.0
283.15320	4.4
284.15768	1.3
285.16940	10.0
286.17084	1.3
291.19421	4.2
292.19794	2.4
293.20493	1.3
295.20541	1.0
301.16367	3.4
302.16617	1.7
313.21536	1.9
331.22632	1.7
333.24014	6.9
349.23630	8.3
350.24011	3.3
351.24347	1.6
365.23105	2.5
423.27084	2.4
447.31418	1.1
449.29938	2.1
459.58417	1.1
461.28693	2.0
465.20837	4.3
465.27765	2.5
467.18857	1.2
479.29822	4.6
480.29501	1.2
513.35175	1.4
519.32916	3.0
525.35266	2.3
533.34589	1.8
541.35272	8.0
543.36658	9.8
551.28131	1.8
559.35913	7.7
575.35638	4.1
576.35956	6.0
577.36462	19.9
774.44250	3.6
775.41998	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	773.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.2
55.05504	32.3
57.03427	16.9
57.07063	5.8
60.06661	1.9
61.02914	13.7
65.03914	3.7
67.05493	94.2
68.05838	2.0
69.03416	8.9
69.07054	29.0
71.04955	4.3
71.08593	2.3
73.02903	4.2
79.05480	70.4
81.03418	9.5
81.07043	87.5
82.07384	2.5
83.04968	7.3
83.08605	19.1
85.02892	13.4
85.06535	3.7
86.09692	5.6
91.03922	5.6
91.05463	73.4
93.07028	86.4
95.04945	11.6
95.08591	62.4
95.09055	1.4
96.39384	1.9
97.02863	11.4
97.06508	7.2
97.10141	5.5
99.04430	2.7
99.08062	5.0
101.02396	2.3
103.05486	2.3
105.04546	2.4
105.07011	66.0
106.07351	2.0
107.04966	2.4
107.08575	42.2
108.08862	2.0
109.02856	3.0
109.06484	5.3
109.10136	30.4
111.08058	3.9
115.05420	2.4
117.06998	29.7
119.08564	59.9
121.06535	2.4
121.10126	38.4
123.08030	4.5
123.11668	9.1
125.00019	2.6
125.09654	1.9
128.06242	3.1
129.06981	18.2
131.08540	38.3
133.10104	43.3
135.07967	2.2
135.11667	28.8
137.09622	4.7
137.13263	2.9
141.06931	3.1
142.07751	2.8
142.66101	1.9
143.08575	18.6
145.10101	36.7
146.10446	1.8
147.08043	2.6
147.11659	40.6
149.09500	2.4
149.13251	17.4
153.07042	2.4
155.08559	7.5
157.10063	18.0
159.08034	3.0
159.11668	29.8
161.09584	3.2
161.13220	29.9
163.11143	3.7
163.14792	7.8
167.08534	2.6
169.10098	10.1
171.11632	18.8
173.13254	22.1
175.11229	4.9
175.14783	14.6
177.16447	2.7
181.10094	3.0
183.11678	7.7
184.07324	21.0
185.09555	3.3
185.13249	15.3
187.14790	8.3
189.12772	3.9
191.73068	2.2
195.11717	2.9
197.13274	8.0
199.14780	11.6
201.16351	3.4
203.14384	2.7
207.11641	2.4
209.13222	2.3
211.11180	3.3
211.14735	4.1
213.16432	3.6
215.17941	3.4
217.19458	2.2
223.14865	2.3
231.21056	3.7
239.17929	3.7
241.19516	25.1
243.21016	4.2
257.19040	7.3
259.20514	54.8
260.20950	3.2
261.22159	8.9
275.20111	2.7
277.21591	4.0
283.20541	2.2
297.21677	2.0
301.21588	3.8
313.21622	3.2
315.23016	3.6
325.21786	2.8
331.22675	2.8
333.24188	36.6
335.25739	78.1
336.26196	3.6
337.27225	2.3
343.22247	2.0
351.25180	3.0
367.22623	4.7
385.23645	2.8
393.26306	4.1
458.21274	1.9
477.28662	3.1
519.41693	5.8
536.70056	2.0
541.39093	3.4
593.45703	12.0
601.44147	2.4
609.44434	4.5
611.46558	100.0
612.46637	8.4
623.46686	4.0
635.46124	2.7
677.47205	2.3
689.46710	2.1
701.47644	7.5
719.47894	4.6
737.49341	5.5
755.50452	8.1
773.52332	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	773.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
55.05492	1.8
55.36366	0.5
59.04993	20.1
61.57210	0.5
64.36227	0.4
67.05499	4.9
68.27927	0.5
69.03416	2.6
69.07050	1.4
69.73492	3.5
71.04972	0.9
79.05489	2.1
81.03398	0.9
81.07030	4.1
83.04966	2.0
84.65460	0.5
85.02907	2.8
91.05458	5.7
93.07030	8.7
93.37259	0.4
95.04955	2.7
95.08607	4.3
96.08974	0.5
97.02927	0.6
97.06508	1.2
101.06001	15.0
103.05473	0.6
105.07017	13.2
107.04924	1.5
107.08580	62.1
108.08904	1.2
109.06493	10.9
109.10139	10.0
111.08068	0.7
119.04939	0.8
119.06026	0.6
119.08564	12.3
121.06468	3.4
121.10143	3.3
122.07294	0.9
123.04413	0.9
123.08050	24.6
125.05988	0.8
125.09622	1.0
126.54470	0.5
127.03879	1.7
131.08539	1.2
133.06476	3.1
133.10114	4.1
135.08038	9.5
135.11673	10.7
137.09596	100.0
138.09930	1.4
139.03918	0.7
143.08577	1.0
145.10092	1.3
147.04381	2.4
147.08037	2.2
147.11664	11.1
149.09596	4.7
151.07471	2.4
153.05478	1.4
153.09074	9.3
156.09319	2.0
159.11668	1.4
161.09621	1.0
161.13242	8.8
163.03853	0.8
163.11122	1.0
171.11612	3.4
174.10349	0.5
177.05296	0.5
177.12717	2.3
179.14304	1.1
189.12723	14.1
195.06468	1.3
207.13774	33.0
208.14056	0.7
225.14824	18.6
265.59384	0.5
289.07025	0.7
303.05042	1.2
386.51529	0.5
524.27881	0.5
744.56433	0.5
755.78143	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.3
55.05503	30.6
57.03429	14.6
57.07066	6.6
58.34256	1.3
60.08152	1.8
60.86198	1.2
61.02917	11.7
65.03937	6.4
67.05495	84.0
68.05809	1.5
69.03435	6.6
69.06713	1.9
69.07061	28.5
71.04977	4.6
71.08594	2.3
73.02897	6.2
79.05482	69.8
81.03420	5.4
81.07045	80.7
83.04968	4.3
83.08605	14.2
85.02888	9.7
85.06525	3.1
86.09714	3.4
91.03954	6.4
91.05467	63.3
93.07030	80.1
95.04971	11.2
95.08594	65.9
97.02868	8.3
97.06519	6.7
97.10170	6.5
97.38805	1.3
98.21504	3.0
99.08060	3.2
101.02383	1.5
103.05424	2.4
103.13411	1.5
105.04548	1.8
105.07015	64.9
107.04968	1.6
107.08584	46.1
109.06493	5.8
109.10143	25.7
111.04415	1.3
111.08046	3.1
115.05436	3.8
117.07001	23.4
119.08565	55.0
121.06517	3.2
121.10127	34.8
123.08050	4.4
123.11723	7.7
124.99994	4.8
125.09666	1.9
127.03919	2.7
128.06178	3.5
129.06982	12.2
130.07782	1.8
131.08557	38.0
131.82828	1.3
133.10104	45.8
134.10460	1.7
135.08032	2.7
135.11670	26.8
137.09595	3.2
137.13231	2.5
139.11191	1.5
141.06992	4.7
142.07739	3.5
143.08536	17.5
144.09256	2.4
145.04930	1.7
145.10098	35.6
147.08023	2.8
147.11673	37.0
149.09579	4.1
149.13248	15.5
149.39491	1.4
154.07796	1.5
155.08521	7.2
157.10112	13.7
159.08147	1.6
159.11665	28.6
160.12064	1.6
161.13234	28.8
163.11122	2.7
163.14796	5.3
167.08485	1.7
169.10103	7.6
170.59103	1.4
171.08009	1.9
171.11664	20.0
173.09592	1.6
173.13249	19.7
175.11237	1.6
175.14806	14.1
177.12703	2.7
181.10124	3.0
183.11656	6.0
184.07314	18.6
185.07787	1.8
185.13203	15.6
187.11159	1.8
187.14841	9.1
189.12738	2.2
189.16394	3.0
195.11664	4.6
197.13214	7.7
199.11223	1.6
199.14827	8.4
201.12773	1.9
201.16374	4.5
203.14366	2.2
207.11552	1.8
209.13243	3.4
211.14777	6.4
213.16341	4.8
215.17949	3.6
217.15910	1.8
219.17409	1.7
223.14673	2.0
225.16449	1.8
227.17998	2.2
229.19460	1.9
231.17403	1.9
231.20953	7.0
235.14758	1.8
239.17885	3.5
241.19505	30.0
242.19801	1.7
243.20978	3.2
257.18912	7.0
259.20544	63.7
260.20840	2.8
261.22052	9.3
269.18863	1.5
271.20605	2.3
275.19897	2.7
277.21692	2.6
283.20651	2.4
291.19510	1.5
296.50739	1.4
297.22092	1.7
299.20319	1.5
301.21548	3.2
315.23138	4.7
325.21460	2.0
325.25000	2.1
331.22723	2.6
333.24194	39.7
335.25745	73.4
336.26093	3.5
337.27277	3.1
339.23090	2.0
343.22812	2.1
349.21365	3.2
353.28293	2.5
355.22607	1.3
359.25647	1.7
367.22519	5.4
375.25299	2.0
385.23447	2.3
389.20798	1.5
403.24899	2.8
421.25897	2.0
441.26248	2.2
459.27325	1.8
495.29263	2.0
503.37378	1.6
519.41687	5.4
529.38373	2.5
537.42957	2.2
541.38226	2.0
593.45435	12.6
601.44385	3.6
609.45435	2.8
611.46619	100.0
612.46857	6.9
623.46313	2.4
635.47070	1.7
701.47687	7.0
719.48468	5.2
737.49664	3.5
755.50305	5.6
773.51581	8.6
774.52179	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.1
56.05029	0.5
57.07048	0.1
58.06618	0.5
59.07391	0.1
60.08155	5.7
66.35415	0.1
67.05481	0.1
69.07053	0.1
69.43096	0.8
70.06580	0.1
71.06968	0.2
71.07361	3.0
71.18818	0.1
79.05515	0.1
81.06996	0.1
83.08638	0.1
86.09692	28.4
87.10037	0.2
93.07000	0.1
95.08592	0.1
98.20683	0.1
98.98450	2.4
104.10731	2.0
119.08553	0.1
124.99986	18.6
126.00334	0.2
142.19850	0.1
143.01099	0.2
166.02696	0.2
170.50150	0.1
184.07310	100.0
185.07658	1.0
473.72021	0.1
496.33704	0.2
498.29346	0.1
601.44092	0.3
657.66785	0.1
754.53699	7.2
755.54315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	10.2
55.05261	1.9
55.05501	24.7
57.03426	18.4
57.07049	4.7
59.04975	4.0
60.08138	6.4
61.02917	8.5
65.03916	3.3
67.05492	72.9
67.24142	1.3
69.03406	4.5
69.07047	21.9
69.27099	1.9
69.27496	16.2
71.01322	5.6
71.04971	7.7
71.07347	4.0
73.02905	2.7
79.05477	64.3
81.03404	31.0
81.07040	78.9
82.07354	1.8
83.01333	3.0
83.04959	14.9
83.08599	16.2
85.02885	11.8
85.06518	4.6
86.09211	2.1
86.09689	32.5
87.04494	2.3
91.03927	4.1
91.05463	40.3
92.05833	1.6
93.07025	67.3
94.07350	2.0
95.04942	15.9
95.08586	52.4
96.08918	2.1
97.02873	14.9
97.06523	13.8
97.10154	5.8
98.20670	3.3
98.98450	3.6
99.04437	5.3
99.08046	1.6
103.05398	1.9
104.10715	3.3
105.07017	22.9
107.04932	19.5
107.08572	37.9
109.06493	12.6
109.10132	25.1
111.03700	2.5
111.04422	34.9
111.08068	7.2
113.06004	2.4
117.06991	19.3
119.08559	29.3
121.06492	11.6
121.09292	3.0
121.10118	33.5
123.08049	9.3
123.11664	6.1
125.00006	19.8
125.05936	8.2
125.09586	6.1
127.03855	1.8
129.07019	8.1
130.07768	1.6
131.08548	21.7
133.10114	12.5
135.08043	4.8
135.11655	29.2
137.09596	5.4
137.13196	1.7
141.06917	2.4
143.08533	6.2
145.06424	2.9
145.10094	36.3
146.10445	1.9
147.08026	5.4
147.11703	7.8
149.09552	5.9
149.13214	5.1
153.12721	13.3
155.08511	6.8
157.10045	3.5
158.07344	1.3
159.11659	7.7
161.09662	2.0
161.13199	6.6
162.47990	1.5
163.11157	35.6
163.14786	2.4
169.10127	2.8
171.11613	4.8
173.09534	9.2
173.13200	8.9
175.11151	2.0
175.14812	2.4
177.12740	4.4
181.12186	7.3
183.11597	3.6
184.07309	96.1
185.13232	3.9
187.14774	3.3
191.10631	9.6
193.82841	1.5
195.13795	2.4
197.13286	2.2
199.05666	1.5
199.13109	1.8
199.14842	3.1
205.12251	1.6
209.11658	13.9
211.14890	2.2
222.13460	1.7
223.13206	25.8
227.12694	14.6
233.15575	1.9
241.14302	58.8
243.21107	2.8
259.20529	1.8
261.22098	10.9
265.14288	6.6
283.15366	30.2
299.23581	3.2
315.17963	84.0
316.18387	3.0
317.24875	2.6
321.25162	1.8
333.24155	3.2
335.25739	100.0
336.26083	6.3
433.30640	1.7
451.31873	6.3
469.32959	4.2
499.34064	1.6
525.35645	17.7
543.36731	94.3
544.36737	5.7
557.38367	3.7
575.39307	83.7
576.39941	7.9
609.44812	5.5
610.45367	33.0
611.46411	2.0
754.53589	6.8
772.51025	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	772.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01654	0.7
55.01865	10.9
55.05501	33.6
57.03429	14.9
59.04977	3.5
61.02901	3.1
65.03922	2.3
67.05492	47.2
69.03419	12.6
69.07056	34.9
69.55210	7.5
71.04990	6.0
72.83990	0.8
73.02898	2.4
79.05479	45.1
81.03403	46.9
81.07040	50.5
83.01321	2.7
83.04974	14.8
83.08128	1.7
83.08604	28.9
83.09094	1.7
85.02889	18.0
85.06518	1.9
91.05466	43.6
93.07030	43.2
95.04948	25.1
95.08036	1.4
95.08593	18.2
97.02870	12.2
97.06508	10.4
97.08443	1.0
97.10151	17.7
99.04419	1.6
99.08063	2.5
105.07013	33.4
107.04944	13.3
107.08578	26.6
109.02867	1.3
109.06503	9.0
109.10139	13.4
111.04404	3.8
111.08067	10.2
113.05990	1.2
115.05413	1.6
116.06228	1.1
117.06997	11.3
119.04906	1.4
119.08564	29.0
121.06487	5.4
121.10120	16.0
123.04417	1.4
123.08049	8.6
123.11703	2.8
125.05985	1.5
125.09610	12.6
128.06148	1.1
129.05522	1.0
129.06969	10.8
130.07724	1.4
131.08543	17.9
133.06459	5.1
133.10114	17.8
134.07243	1.5
135.08020	6.3
135.11656	10.0
137.09589	4.6
141.06960	1.8
142.07750	2.8
143.08539	4.0
145.06441	1.7
145.10077	15.3
147.08040	7.9
147.11659	15.7
149.09590	11.1
149.13252	4.3
151.11115	2.8
153.09071	1.8
153.12758	2.0
155.08531	1.7
157.10109	13.0
159.11674	5.9
161.09601	2.6
161.13211	1.1
163.11147	11.6
165.12724	2.8
171.10236	1.3
171.11653	1.8
173.04495	1.6
173.09683	1.8
173.13219	2.1
175.11150	10.7
177.12688	1.6
181.12152	2.2
185.13266	1.5
187.14735	1.4
189.11166	5.9
193.12198	29.1
195.13701	1.6
205.12186	1.7
209.11670	2.3
211.13242	46.0
219.13849	1.4
223.13219	18.9
227.12740	18.1
229.14252	1.2
229.19455	1.2
232.17836	0.9
233.15417	1.0
239.17899	1.7
245.13599	1.2
245.18990	1.2
249.14851	3.3
253.14272	1.1
255.15724	2.8
257.18921	3.6
266.34821	0.9
267.15872	29.5
269.17407	8.7
273.18436	15.0
275.20026	12.9
283.15338	36.1
285.16913	45.1
291.19485	100.0
292.19778	2.1
296.10025	1.1
313.21735	1.1
331.22641	1.3
347.22064	3.7
349.23663	12.6
365.23178	50.6
366.23566	1.5
413.21384	1.3
437.25156	2.4
445.25571	2.3
453.24576	2.8
459.27353	2.2
463.26883	9.5
477.28394	36.5
495.29660	1.6
529.34796	1.4
539.33508	3.8
557.34607	64.3
558.34436	1.9
562.16064	1.0
575.35675	81.2
576.35980	2.7
593.36688	1.5
665.33185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	17.0
55.05499	39.7
56.05844	1.2
57.03424	22.9
57.07058	3.3
59.04989	3.4
59.93117	1.2
61.02914	9.9
65.03918	3.4
67.05492	71.4
68.05819	1.1
69.03421	14.2
69.07057	31.3
69.63490	1.6
69.63891	7.5
71.01344	3.3
71.04989	10.1
71.08611	1.7
73.02886	3.6
77.03899	1.2
79.05478	74.9
80.05814	1.9
81.02921	1.3
81.03401	25.5
81.07040	82.3
83.01321	11.3
83.04964	24.5
83.08604	25.6
85.02886	16.8
85.06525	6.1
86.09698	4.3
91.03931	5.0
91.05464	78.6
92.05816	1.6
93.07027	82.1
94.07385	1.3
95.04955	22.9
95.08586	39.3
96.08913	1.4
97.02869	17.2
97.06507	16.8
97.10169	8.8
98.09684	1.4
98.20741	2.6
99.04424	4.7
99.08033	6.5
101.02361	1.5
103.03922	1.3
103.05478	2.9
105.04491	1.2
105.07011	68.1
106.07344	2.4
107.04929	18.3
107.08575	53.6
108.08921	2.8
109.02872	3.5
109.06493	15.6
109.10131	19.3
111.04420	5.0
111.08061	8.2
113.06023	1.5
113.09676	1.4
115.05434	4.1
117.06996	29.4
119.08556	52.6
120.08967	1.4
121.06500	9.1
121.10121	32.1
121.61130	1.1
122.10532	1.3
123.04414	1.2
123.08052	17.0
123.11691	5.6
124.99954	2.8
125.05945	2.6
125.09620	7.0
127.03899	5.0
128.06216	1.9
129.05473	7.2
129.06969	14.5
130.07759	2.5
131.08539	29.4
133.06459	3.7
133.10109	49.5
134.10472	1.7
135.08051	7.8
135.11662	30.9
136.62433	1.3
137.09573	5.2
139.07567	1.4
139.11163	1.4
141.06967	1.7
143.08516	10.4
145.04924	3.5
145.06416	1.9
145.10092	39.2
147.08009	4.6
147.11659	37.4
149.05962	1.5
149.09602	11.8
149.13222	11.8
151.11168	7.2
153.09161	2.0
153.12744	5.9
155.08525	2.9
157.10074	7.6
159.11649	20.9
159.12874	0.8
161.09601	4.2
161.13222	15.7
163.11145	36.7
163.14809	2.0
165.12724	3.0
169.10110	2.1
171.11670	10.5
173.04428	2.0
173.09692	5.8
173.13235	12.0
175.11119	1.8
175.14836	5.6
177.12703	4.2
179.14232	2.3
181.12206	5.4
183.11699	2.2
184.07301	15.2
185.13210	6.2
187.14812	2.1
189.11247	2.7
189.12689	2.1
191.10634	4.6
193.12013	1.6
195.11821	1.4
195.13763	6.1
197.13188	3.4
199.14755	4.8
207.13705	1.5
209.11633	12.6
211.14862	1.4
213.14711	1.7
213.16451	1.7
217.15886	1.4
219.13596	1.5
227.12732	14.7
229.14185	1.5
229.19467	1.4
231.21164	2.4
233.15292	1.9
239.17955	2.3
241.19455	11.8
247.20486	1.8
253.14334	14.9
254.14703	2.6
257.18954	6.3
259.20547	35.6
260.21097	1.4
267.15878	9.3
269.17468	15.6
273.18460	2.7
275.19946	18.3
276.20514	1.2
281.17368	2.7
283.15338	100.0
284.15622	3.0
285.17087	5.9
291.19522	5.4
293.20984	2.6
297.22144	3.8
301.16403	1.7
315.22955	3.4
333.24136	24.6
347.22003	2.1
349.23779	13.4
365.23151	8.7
367.23755	1.3
413.21558	1.4
431.29248	2.8
449.30292	2.3
461.28857	1.8
463.26849	4.8
467.31491	3.3
475.30417	2.0
476.30847	2.3
477.28342	50.5
478.28452	2.3
481.27570	2.5
485.32535	1.7
489.28308	3.8
513.35510	2.2
523.33844	4.5
541.35217	41.6
542.35254	2.4
543.36444	2.2
557.34485	8.7
559.36292	12.0
561.38696	1.6
575.35571	15.3
697.29425	1.2
772.38666	1.3
773.40265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.4
55.05501	23.9
57.03429	15.5
57.07061	1.8
59.04984	2.6
60.08149	2.3
61.02922	5.1
64.15646	0.9
65.03930	3.3
66.72014	1.0
67.05493	52.8
69.03412	7.6
69.06712	1.6
69.07058	21.2
69.47761	2.2
69.48167	6.1
71.01340	1.7
71.04988	7.7
71.07351	0.8
73.02926	1.2
73.28151	0.9
77.03934	1.1
79.05479	46.3
81.03005	0.6
81.03403	25.3
81.07043	67.1
83.01340	7.0
83.04972	20.6
83.08601	21.6
85.02890	11.8
85.06522	5.4
86.09698	10.5
91.03927	2.2
91.04878	2.0
91.05462	44.7
93.07028	58.3
95.04948	17.6
95.08592	24.4
97.02885	5.8
97.06506	10.3
97.10162	4.9
99.04456	2.1
99.08072	1.8
103.05453	1.4
104.10740	1.4
105.04523	1.6
105.07012	35.5
107.04926	12.5
107.07855	2.1
107.08576	36.1
109.06506	12.4
109.10140	16.8
111.04426	4.7
111.08082	7.7
113.06028	1.9
115.05436	1.7
117.06998	18.1
119.04916	1.3
119.08568	22.6
119.09426	1.2
121.06480	6.8
121.10124	17.1
123.04436	1.8
123.08041	10.2
123.11700	4.3
124.99982	6.6
125.05995	1.9
125.09654	4.3
127.03883	0.9
127.07593	1.4
129.05482	2.1
129.06981	9.1
130.07733	1.8
131.08551	16.4
133.06480	3.5
133.10114	28.8
135.08026	7.9
135.11662	23.1
137.09587	4.6
139.07515	1.9
141.06972	1.8
142.07791	1.3
143.08545	3.9
145.06432	2.1
145.09018	1.7
145.10106	21.0
147.08029	4.6
147.11671	8.7
149.09630	9.3
149.13208	8.6
151.11151	8.3
153.09099	0.9
153.12691	2.2
155.08525	3.7
157.10077	6.4
159.08133	1.1
159.11682	9.6
161.09584	2.4
161.13237	1.7
163.11154	22.4
163.12515	1.5
165.12811	2.2
169.10110	1.1
171.11679	2.6
173.09625	3.6
173.13277	3.2
175.11171	5.8
177.12729	3.0
179.14337	1.4
181.12225	4.0
183.11751	1.6
183.13582	1.0
184.07318	35.6
189.11206	2.2
191.10555	2.0
193.12256	8.2
195.13741	5.3
209.11661	6.7
211.13234	13.7
223.13358	1.1
227.12743	7.5
229.19414	1.6
239.17935	1.6
245.18935	1.8
248.34412	1.1
253.14308	15.2
255.15778	7.9
257.19028	4.2
267.15891	9.3
269.17432	22.4
271.15323	1.3
271.66019	0.9
273.18399	7.2
275.20035	12.2
283.15347	69.4
285.16943	13.7
289.18112	1.3
291.19531	10.2
331.22726	1.5
347.22049	4.3
349.23657	13.6
365.23206	9.8
367.24826	1.9
413.21280	1.7
445.25757	1.8
459.27634	2.4
463.26904	22.9
477.28406	100.0
478.28763	2.5
481.27838	5.1
517.31567	1.5
539.33344	4.2
557.34668	28.4
558.34515	1.3
575.35651	27.6
576.35925	1.0
621.32220	1.5
772.43066	1.5
773.20074	1.1
773.40247	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.8
55.05504	25.3
57.03433	14.3
57.07065	1.6
59.05006	1.0
60.08161	0.9
61.02913	3.4
65.03934	3.5
65.19691	0.9
67.05495	63.5
69.03421	7.6
69.07057	21.1
70.09339	3.7
71.04989	8.6
71.07393	0.8
79.05486	49.2
80.05803	1.1
81.03409	61.7
81.07047	73.3
81.65270	0.8
82.07368	0.9
83.04970	24.0
83.08608	19.9
85.02886	20.3
85.06544	7.5
86.09698	8.1
87.04440	1.3
91.03954	1.8
91.05468	69.4
92.05794	1.5
93.07033	48.0
94.07345	1.8
95.04957	30.1
95.08591	23.6
95.82372	0.9
97.02871	6.0
97.06526	7.4
97.10150	6.7
98.21362	1.3
99.04451	2.6
99.08073	2.1
101.66032	0.9
103.05437	1.2
105.04503	1.0
105.07020	55.6
106.07339	1.2
107.04946	13.6
107.08582	36.0
108.08900	1.1
109.02795	1.0
109.06503	12.0
109.10146	49.2
111.04419	5.3
111.08076	10.8
113.05980	3.9
115.05427	2.5
117.07001	10.3
119.04918	1.0
119.08571	27.4
121.06490	8.9
121.10130	13.2
121.10985	1.2
123.04446	1.7
123.08070	5.1
123.11684	9.4
124.99998	2.5
125.05917	1.2
125.09623	4.1
127.07538	3.5
128.06212	1.9
129.06993	13.2
131.08551	21.9
133.06496	7.5
133.10115	71.2
134.10480	1.0
135.08032	8.3
135.11700	4.8
137.09608	3.8
142.07761	3.1
143.08559	4.8
145.06604	1.1
145.10091	9.5
147.08046	6.5
147.11673	15.3
149.09604	12.0
149.13248	1.4
151.07591	1.0
151.11159	27.0
151.12323	1.7
155.08496	1.9
157.10104	16.6
159.08066	2.9
159.11690	3.2
161.09615	6.1
161.13226	2.6
163.11127	4.3
165.09091	1.3
165.12709	3.2
169.10121	2.0
169.12233	4.7
171.11572	4.5
173.09612	1.5
175.11176	14.6
177.09099	1.5
179.10707	1.9
181.10049	1.0
184.07324	23.8
184.08958	1.5
185.13283	1.9
187.11185	1.8
189.11211	1.4
189.12785	1.9
191.10619	1.0
193.12221	37.3
195.11612	1.0
197.11673	1.0
207.13829	0.9
210.13222	0.8
211.13272	71.1
212.13643	1.6
215.12790	3.3
223.13246	2.3
227.12778	2.7
227.17841	1.3
231.13878	0.8
245.19025	3.4
249.14732	1.3
251.12804	2.4
253.14317	100.0
254.14651	3.6
255.17480	1.4
263.20023	3.1
267.15894	22.6
267.18570	1.8
271.15402	3.7
273.18463	27.0
275.20151	2.6
283.15353	2.6
285.16931	61.4
286.17282	3.5
287.19760	1.3
291.19510	31.7
292.19907	1.3
305.21155	1.2
309.20572	3.2
330.21634	1.0
347.22113	13.0
349.23654	1.3
365.23178	41.6
366.23584	3.3
445.25632	4.2
461.25082	1.6
463.26877	24.5
464.26965	1.1
477.27927	2.1
479.26035	1.1
481.27905	28.1
482.28091	1.4
539.33984	4.9
543.36639	2.1
557.25763	1.7
557.34625	34.0
558.35321	2.2
575.35699	67.3
576.36102	4.8
593.36652	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	16.9
55.05503	20.6
56.04984	0.6
57.03174	1.0
57.03431	12.3
57.07056	2.0
59.04988	0.7
60.08146	1.4
61.02905	1.8
61.97938	0.5
65.03919	2.5
67.05497	39.8
68.05828	1.0
68.99828	0.6
69.03421	4.3
69.07059	23.6
70.68452	2.0
71.04988	4.2
73.02923	2.7
77.03915	0.7
79.05482	34.4
80.05824	0.6
80.06322	0.6
80.06843	0.5
81.03409	13.2
81.07046	51.4
82.04185	2.4
82.07387	0.8
83.04973	13.7
83.08606	9.9
84.02093	0.7
84.05753	0.9
85.02905	3.0
85.06535	2.3
86.09691	4.6
91.05470	49.5
92.05785	1.4
93.07034	36.4
94.07336	1.4
95.01323	6.7
95.04345	1.1
95.04958	16.3
95.08593	27.6
96.08940	0.8
97.02881	3.1
97.06521	27.8
97.10152	8.2
98.07315	4.1
98.21320	0.7
99.04453	1.3
99.08084	2.0
101.06032	0.9
103.05440	1.7
105.07018	63.7
106.07337	1.2
107.04936	16.5
107.08583	19.9
109.02850	1.3
109.06509	7.0
109.10149	10.4
110.07271	0.8
111.04435	4.0
111.08085	5.0
113.05989	1.2
113.09686	1.1
115.05465	1.0
116.04701	7.1
117.05547	0.5
117.07004	12.8
119.08567	33.7
121.02816	0.6
121.06500	5.7
121.10116	9.8
123.04416	1.9
123.08057	6.9
123.11676	2.8
123.19168	0.5
124.99962	3.0
125.05987	0.8
125.09608	10.0
127.11182	1.2
129.05466	20.5
129.06943	5.3
130.07805	0.9
131.08553	22.0
132.09349	1.2
133.06497	2.6
133.10115	40.1
135.08057	4.8
135.11661	9.6
137.09619	3.1
137.27205	0.6
139.07523	2.0
139.11090	0.6
141.06946	1.8
142.07758	0.9
143.07042	5.6
143.08511	3.7
144.09265	0.6
145.06458	2.5
145.10107	16.1
146.10510	0.8
146.99786	0.6
147.08025	2.6
147.11673	17.6
149.09599	8.1
149.13226	3.8
150.09988	0.8
151.11154	4.5
153.09140	0.8
153.12761	1.5
155.08534	2.4
157.08606	10.4
157.10103	5.4
159.08090	1.0
159.11679	11.3
161.09607	1.8
161.13225	4.1
163.11147	9.0
165.09091	1.4
165.12769	1.7
169.10104	2.5
171.06448	0.7
171.10159	3.3
171.11700	4.1
173.04428	0.7
173.09636	1.7
173.11853	0.7
173.13213	2.8
175.11111	3.6
175.14914	0.9
177.12714	3.1
179.14287	12.7
181.12257	1.8
183.11679	2.1
184.07321	16.4
185.11708	1.0
185.13264	1.4
187.11174	2.8
187.14719	0.7
189.11212	4.8
189.12634	1.2
191.10698	1.7
191.14305	0.7
193.12212	3.6
195.13820	1.6
197.13327	1.3
199.06087	0.8
199.13235	2.9
200.14038	2.4
201.12740	0.8
205.12158	1.2
207.13824	1.0
209.11688	2.1
211.13293	2.5
215.14430	0.9
215.17932	0.9
227.12720	6.9
227.14517	0.7
229.19545	1.4
233.15393	1.0
239.17972	2.2
241.14296	1.3
247.20605	1.9
251.09569	0.5
253.14310	4.2
255.15924	1.0
257.18863	4.6
259.20459	1.4
265.14395	1.9
267.15829	4.7
269.17508	1.5
273.18369	3.3
275.20023	59.2
276.20392	1.7
279.15930	3.1
281.17487	1.2
282.17801	0.9
283.15305	8.8
283.18100	0.9
284.15878	1.1
285.16968	1.9
291.19604	3.5
293.17825	0.8
293.20947	3.1
301.16418	59.8
302.16895	1.3
313.76492	0.6
347.22409	0.6
349.23697	28.6
350.24213	1.1
365.23285	2.5
403.24731	0.9
421.26285	0.7
431.27591	0.6
445.20441	0.7
461.28955	1.3
473.32327	1.5
477.29144	1.1
489.28537	1.4
491.33841	0.8
503.33594	4.2
525.36053	0.9
539.33643	2.0
540.35187	1.0
541.35345	4.5
543.36749	1.9
544.55255	0.6
557.34698	8.1
558.35339	2.6
559.36121	1.1
575.35706	100.0
576.35986	5.2
593.36926	1.5
729.69073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	1.8
55.05423	8.5
55.05719	1.6
57.03344	4.0
57.03651	0.8
57.06976	1.3
57.07238	0.5
58.68021	0.3
59.04911	0.5
61.02833	11.5
61.03179	1.9
65.03847	1.3
66.20522	0.4
67.05402	17.8
67.05801	2.3
69.03326	6.2
69.03743	0.8
69.06964	9.4
69.07383	1.3
69.90517	0.3
71.01275	0.8
71.04895	1.4
71.08558	0.5
73.02811	7.1
73.03252	0.8
77.03865	0.4
79.05382	12.7
79.05882	1.1
81.03306	2.7
81.06945	19.6
81.07473	1.7
82.07296	0.3
83.04866	2.2
83.08508	4.0
85.02787	11.3
85.06448	0.8
86.09603	1.1
87.04333	1.1
91.03838	5.9
91.05361	14.3
93.06924	15.1
93.07558	0.9
94.07275	0.5
95.04845	2.9
95.08485	15.9
95.09142	1.1
97.02877	10.5
97.03437	0.6
97.06398	2.2
97.10149	3.0
98.20733	1.2
99.04334	1.5
99.07997	0.8
101.02352	1.6
103.05360	0.6
105.07016	13.5
105.07652	0.8
107.04824	1.4
107.08578	10.3
109.02742	1.2
109.06496	2.3
109.10130	8.6
111.04359	0.5
111.08072	1.8
111.11641	0.4
115.03847	0.7
115.05351	0.9
117.06998	8.7
118.74620	0.4
119.08566	12.3
119.09350	0.5
120.08813	0.3
121.06429	0.6
121.10125	7.0
123.04276	0.4
123.07933	1.4
123.11714	1.9
123.12388	0.6
124.99891	0.9
125.09462	1.5
127.03892	1.8
128.06189	2.5
129.05423	0.6
129.06995	8.5
130.07674	1.0
131.08549	12.2
133.10115	9.8
135.07912	1.3
135.11691	4.7
137.09480	0.7
137.13147	0.6
139.07350	0.4
139.11061	0.8
141.06966	4.3
142.07748	2.0
143.08540	11.1
144.09218	0.4
145.04854	0.9
145.10106	10.9
147.07907	1.0
147.11664	5.8
149.09488	1.1
149.13237	2.0
151.11076	0.6
153.06812	1.5
154.07666	0.9
155.08534	10.1
156.09363	1.6
157.10106	11.2
158.10562	0.5
159.07983	0.5
159.11670	8.0
160.12117	0.4
161.09503	0.7
161.13246	3.4
163.11011	0.9
163.14709	0.7
165.06931	0.9
166.07698	0.5
167.08540	4.4
168.09166	1.2
169.10104	10.5
170.10704	0.7
171.11659	9.3
173.04256	0.5
173.09485	0.5
173.13228	5.6
175.14845	2.2
176.11575	0.4
177.16299	0.5
179.08508	2.1
180.09221	0.8
181.10095	7.7
182.10620	1.2
183.11658	10.6
184.07297	3.7
184.12221	0.7
185.13246	7.9
187.14853	3.2
189.12683	0.4
189.16214	0.9
191.08252	0.4
192.09221	0.7
193.04807	0.9
193.10118	2.7
194.10815	0.5
195.11667	7.5
196.12172	0.7
197.13231	8.9
198.13770	0.5
199.09398	0.4
199.11075	0.7
199.14803	5.2
201.12698	0.6
201.16208	1.5
203.17850	0.8
205.09932	0.8
207.11639	3.1
208.12248	0.9
209.11488	0.4
209.13217	7.0
210.13861	0.5
211.11093	0.6
211.14790	6.1
213.14436	0.6
213.16408	3.7
215.17877	0.9
219.11566	1.0
219.17300	0.4
221.13199	3.1
223.14870	3.8
224.15317	0.4
225.16357	3.4
226.16655	0.4
227.17995	2.3
229.19331	0.8
233.13069	1.0
235.11169	0.5
235.14828	2.1
237.12538	0.6
237.16324	2.9
238.16708	0.4
239.14131	0.5
239.17960	2.4
241.17426	0.5
241.19460	1.4
245.13316	0.5
245.18890	0.6
247.14760	1.1
249.16203	1.4
251.17834	1.8
253.19365	1.3
257.19009	0.5
259.14777	0.5
261.16129	0.7
263.17789	1.5
265.19266	1.4
267.21118	0.8
273.22250	0.5
275.20084	0.8
277.19357	1.0
279.20834	0.7
281.18829	0.7
283.20438	0.6
293.22287	0.4
297.21964	0.8
299.20020	0.4
299.23306	0.5
307.20352	0.8
309.21866	0.7
311.20032	0.4
311.23431	0.7
313.21469	0.6
313.24811	0.4
321.21799	1.4
323.23590	1.5
325.21494	0.6
325.25089	0.6
333.24582	0.6
335.23151	0.7
335.26239	0.7
337.21494	0.5
337.25229	1.1
339.23001	0.8
339.26672	0.7
341.24673	0.8
349.25104	1.0
351.22873	0.5
351.26685	1.6
359.23425	0.4
361.25113	0.6
363.26651	0.7
365.28204	1.0
367.25894	0.5
375.26389	0.6
377.28125	0.9
381.27640	0.5
389.28326	0.4
391.30011	0.9
393.31583	0.7
405.31638	0.4
407.29453	0.9
409.30804	0.6
421.30664	0.8
433.30286	0.5
435.32730	0.6
447.32458	0.9
449.34341	0.6
461.34232	0.6
473.32361	0.7
475.35028	0.5
485.33829	0.4
487.34460	0.6
499.39230	1.0
501.35544	1.1
507.35287	0.4
513.35846	0.8
515.37848	1.0
517.40417	6.5
523.38062	0.6
525.35516	0.6
527.37335	1.0
529.40027	0.5
535.41327	3.2
539.37109	1.9
540.37982	0.5
541.38928	1.2
553.38824	0.5
555.41290	0.6
573.43054	0.9
581.42157	0.5
591.44116	7.9
607.43628	2.1
609.45044	100.0
610.45483	7.2
621.45306	1.0
625.43250	0.5
633.44806	0.7
641.27051	0.4
651.46130	1.3
675.45868	0.7
693.47186	0.7
699.45959	1.3
717.47198	1.4
735.48004	1.7
753.49725	2.4
771.50293	24.6
772.50549	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	771.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.3
55.05504	11.5
55.05756	0.5
57.03428	5.3
57.07069	1.9
59.04971	0.3
61.02918	15.9
61.03209	0.5
65.03893	1.5
67.05495	21.4
69.03419	8.3
69.07058	9.3
71.01310	1.1
71.04986	1.8
71.05289	0.4
71.08608	0.5
73.02907	7.5
75.79990	0.3
79.05480	13.8
81.03407	3.5
81.07046	21.5
83.04929	1.0
83.08607	5.2
83.76176	0.3
85.02890	12.3
85.06485	1.3
87.04432	0.8
91.03944	6.6
91.05466	12.9
93.07030	14.7
93.96904	0.3
95.04958	2.4
95.08592	18.2
97.02295	0.6
97.02877	10.9
97.06501	2.2
97.10159	2.7
99.04399	1.4
99.08030	0.6
100.27975	0.3
101.02353	1.5
103.03857	0.4
104.06211	0.4
105.07009	13.1
107.04906	0.8
107.08580	10.6
109.02831	1.4
109.06469	1.2
109.09469	0.5
109.10139	7.8
111.08027	1.3
111.11665	0.6
115.03856	0.9
115.05399	1.1
117.06211	0.5
117.06992	8.1
119.08566	12.3
121.09309	0.4
121.10121	6.8
123.08070	1.7
123.08786	0.3
123.11682	1.8
125.09567	1.0
125.10422	0.3
127.03887	2.5
128.06172	2.6
129.05487	0.6
129.06985	10.1
130.07709	1.2
131.08546	12.2
133.10112	8.7
135.07991	0.8
135.10799	0.4
135.11665	4.3
137.09535	0.8
137.13188	1.0
141.06967	4.6
142.07730	2.3
143.08537	12.8
144.09229	0.4
145.04903	0.6
145.06427	0.4
145.10101	11.3
147.11665	6.0
149.09532	0.5
149.13205	1.6
153.06966	1.5
154.07715	1.0
155.08525	9.7
156.09254	1.4
157.06458	0.4
157.10101	11.8
158.10634	0.4
159.10417	0.7
159.11662	8.4
161.13211	2.9
163.11153	0.5
163.14777	0.8
165.06964	0.9
165.12698	0.3
166.07768	0.9
167.08530	5.2
168.09290	1.3
169.10106	11.3
170.10863	0.9
171.11646	11.3
172.12247	0.5
173.09677	0.4
173.13243	4.9
175.14767	1.6
177.16345	0.9
178.07692	0.4
179.08493	1.8
180.09372	0.8
181.10091	6.9
182.07172	0.3
182.10826	1.3
183.11668	13.0
184.12254	0.8
185.11580	0.5
185.13222	7.8
186.13780	0.4
187.11105	0.4
187.14755	3.3
189.16331	1.3
191.08488	0.7
191.17804	0.5
192.09264	0.6
193.10104	3.1
193.15710	0.4
194.10741	0.4
195.11670	7.5
196.12427	0.6
197.11420	0.6
197.13211	10.3
198.13914	0.5
199.14787	5.1
201.12822	0.6
201.16339	2.0
203.14308	0.4
203.18015	0.6
205.10068	0.6
206.10825	0.5
207.11658	3.3
208.12578	0.5
209.11441	0.6
209.13235	6.4
210.13867	0.4
211.11253	0.3
211.13023	0.6
211.14809	6.8
213.14812	0.4
213.16377	3.2
215.14337	0.6
215.17938	0.8
219.11636	1.2
220.12425	0.5
221.13214	2.6
222.13736	0.4
223.14796	5.4
225.12837	0.4
225.16316	3.8
227.17989	2.1
233.13193	0.8
235.14882	1.9
237.16333	3.3
239.17995	2.7
241.15761	0.4
241.19717	1.6
247.14743	0.9
249.16342	1.6
251.17870	2.1
253.19647	1.6
255.21150	0.6
261.16287	0.8
263.17929	0.6
265.19489	1.4
267.21027	0.6
269.18799	0.5
273.22156	0.4
275.17871	0.5
277.19287	0.7
279.21106	0.4
281.22498	0.4
283.20578	1.2
285.22028	0.7
291.21118	0.5
293.22855	0.5
295.20477	0.6
295.23920	0.4
297.18555	0.4
297.21863	0.6
299.20096	0.4
299.23602	0.6
305.22369	0.5
307.20401	0.7
309.22125	1.1
311.20129	0.6
311.23553	0.6
313.21561	0.9
321.22079	0.9
323.23651	1.0
325.21512	0.5
325.25168	0.5
327.23300	0.5
335.23779	1.0
337.25128	1.1
339.23138	0.5
339.26871	1.1
349.25250	0.9
351.26849	1.4
353.24548	0.4
353.28543	0.4
361.25113	0.6
363.26828	0.6
365.24451	0.5
365.28436	1.4
367.26410	0.8
377.28403	0.7
379.30298	0.4
381.27628	0.5
391.30157	0.8
393.27591	0.5
393.31873	0.4
405.31375	0.6
407.28748	0.5
421.30136	0.4
423.33099	0.4
425.30807	0.4
433.30417	0.7
435.32349	0.5
439.32370	0.4
447.32529	0.8
449.33978	0.6
461.33377	0.6
473.32516	0.5
475.35156	0.6
485.32510	0.6
499.39175	1.0
501.35410	1.0
513.35767	0.9
515.38013	0.9
517.40295	5.5
521.35754	0.6
524.04169	0.4
525.35645	1.0
527.37354	0.9
529.39172	0.4
535.41644	3.0
539.37097	1.7
540.37939	0.6
541.38806	1.2
553.40094	0.4
555.41150	0.6
567.40411	0.7
573.43317	0.6
591.44019	6.7
592.44550	0.8
607.43274	2.0
609.45032	100.0
610.45306	7.6
611.46399	1.2
619.42328	0.5
621.45496	1.1
633.44983	0.6
651.45953	0.7
675.46545	0.5
693.46594	0.4
699.45679	0.6
717.47241	1.2
735.48236	1.6
753.48541	1.7
771.50214	22.7
772.50714	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
57.07055	0.2
58.06618	0.4
59.07371	0.1
60.08150	6.5
66.69775	0.1
67.05466	0.1
69.07050	0.1
70.06537	0.1
71.02229	0.1
71.02553	0.2
71.07359	3.5
71.83872	0.1
79.05482	0.1
81.07040	0.3
86.09687	32.5
87.10003	0.1
91.05446	0.2
93.06989	0.1
94.67361	0.1
95.08577	0.1
98.98442	2.9
104.10721	2.8
105.07017	0.1
117.06985	0.1
124.99976	20.3
131.08479	0.1
133.10107	0.2
135.11632	0.1
135.98302	0.1
143.01018	0.3
166.02625	0.1
184.07300	100.0
185.07625	0.5
200.19917	0.1
306.28217	0.1
336.84122	0.1
475.98676	0.1
496.33951	0.3
587.46027	0.1
733.34338	0.1
770.53113	10.4
771.53467	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	7.7
55.05511	21.6
57.03421	15.9
57.07053	9.3
61.02914	5.1
64.84634	4.3
67.05496	70.3
67.75580	3.9
69.03394	8.3
69.07042	17.6
69.59399	35.2
71.04976	9.6
71.08582	4.3
72.05206	4.3
79.05479	61.4
81.03404	51.7
81.07045	73.9
83.04955	10.0
83.08601	13.3
85.02885	10.3
86.09695	5.8
91.05466	58.6
92.05814	6.6
92.95056	4.5
93.07038	67.5
94.07340	6.7
95.04955	20.4
95.08602	37.3
97.02884	6.2
97.06532	7.6
97.10170	7.5
105.07015	41.8
107.04948	7.9
107.08569	27.0
109.02873	4.7
109.06512	6.9
109.10133	16.2
111.08049	8.4
117.07000	20.0
119.08557	24.5
119.29349	4.3
121.06485	7.1
121.10118	21.8
123.08060	5.6
123.11644	6.5
125.00007	4.7
125.09599	6.7
128.06145	4.8
129.06972	12.9
131.08551	24.1
133.10133	26.7
135.07930	4.5
135.11655	14.3
143.08482	11.8
145.10083	15.0
147.11678	24.3
149.09590	6.6
149.13234	10.2
157.10098	13.1
159.11699	12.8
161.13208	8.6
171.11664	13.3
173.13165	6.6
184.07271	32.4
193.12196	23.6
197.13173	5.4
207.13818	5.7
211.13249	50.8
243.20885	4.5
261.22125	18.6
267.15808	15.9
275.19989	7.8
281.17529	23.4
285.16901	69.5
335.25705	95.1
335.29340	7.5
336.26276	7.7
461.28641	10.4
475.30301	49.0
527.36987	20.6
539.37213	9.3
541.31372	4.7
545.38293	100.0
555.36853	14.5
573.37939	11.6
577.14453	4.6
608.43500	13.5
609.45001	9.0
770.49451	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	770.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	5.6
55.05510	21.9
56.39061	4.4
57.03431	12.0
60.08147	8.8
60.14675	4.4
62.08140	4.0
65.03903	4.7
67.05494	89.5
69.03423	8.1
69.07068	30.5
71.04954	6.1
79.05479	75.5
81.03403	58.2
81.07053	84.4
83.04977	21.2
83.08613	26.5
85.02911	10.6
86.09681	29.5
86.62978	4.4
91.05465	69.8
92.05824	6.6
93.07027	66.9
95.04943	25.5
95.08589	39.8
97.06528	7.7
97.10129	8.1
105.04531	4.7
105.07021	45.0
107.04920	15.7
107.08575	31.8
109.06504	14.5
109.10130	21.0
111.04462	5.7
111.08013	5.4
117.06998	19.8
119.08576	34.1
121.06490	7.2
121.10137	14.0
123.08062	4.5
123.11687	5.5
125.00001	24.0
129.06969	16.8
131.08513	22.2
133.10100	21.2
135.11652	12.6
137.09650	4.2
141.07016	4.7
143.08514	6.6
145.10089	17.0
147.11656	38.2
149.09521	9.4
149.13283	9.9
157.10074	8.9
159.11636	17.2
161.13249	9.0
163.11145	7.0
169.10185	5.4
171.11649	13.9
173.13203	8.3
175.11139	7.4
177.12653	4.5
184.07317	100.0
187.11111	4.7
187.14821	4.9
189.16452	4.4
193.12192	21.7
207.13824	8.3
211.13226	41.8
257.18777	4.5
261.22229	14.8
267.15869	14.3
269.17410	9.7
275.19962	8.5
279.15689	5.9
281.17398	26.2
285.16907	58.3
335.25726	86.8
336.26028	5.8
349.23715	8.9
377.08383	4.6
461.29016	14.1
475.30273	51.3
527.37048	15.8
539.37164	6.0
545.38312	89.2
555.36377	18.4
573.37463	11.5
608.43927	9.6
611.45648	8.5
770.51276	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	770.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.6
57.46175	0.1
58.06611	0.5
59.07396	0.1
60.08153	6.4
67.05496	0.1
69.30258	1.0
71.07362	3.1
76.26105	0.1
77.56275	0.1
79.05476	0.1
80.97404	0.1
81.07047	0.1
86.09692	30.6
87.10027	0.2
90.82542	0.1
91.05424	0.1
95.08606	0.1
97.10163	0.1
98.98447	2.9
104.10725	3.0
105.07032	0.2
111.08190	0.1
124.99983	19.3
143.01013	0.2
166.02721	0.3
184.07310	100.0
185.07729	0.4
186.05754	0.1
439.76901	0.1
448.37378	0.1
496.34140	0.3
587.46619	0.2
737.90674	0.1
770.53162	10.3
771.53583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.1
55.05263	1.1
55.05504	15.1
56.14350	0.6
57.03173	0.8
57.03426	7.6
57.07060	1.4
59.04978	0.9
63.72361	0.5
65.03914	3.1
67.05492	48.5
69.03410	3.6
69.07056	18.4
70.68126	1.1
70.68497	1.4
71.01329	0.6
71.04984	4.6
73.02886	1.5
73.06539	1.4
77.03892	0.9
77.32700	0.5
79.05479	58.4
81.03406	10.3
81.07042	55.1
83.04962	13.3
83.08602	9.1
85.02876	2.4
85.06536	3.8
86.09692	1.8
91.05465	44.6
93.07025	58.7
95.04953	16.5
95.08588	21.6
95.09043	0.3
97.02867	2.3
97.06505	10.0
97.10139	4.3
99.04434	0.7
99.08070	1.9
103.05427	1.1
105.04520	1.0
105.07011	37.5
107.04936	8.1
107.08572	27.6
109.02849	1.2
109.06498	6.5
109.10130	10.3
111.04447	1.3
111.08074	4.1
113.09691	0.8
115.05413	1.4
117.06995	12.7
119.08560	21.1
121.06486	3.3
121.10127	10.9
123.04440	0.6
123.08055	5.4
123.11686	2.1
125.09596	1.5
127.03880	1.8
127.07538	1.4
128.06212	1.9
129.06981	11.8
130.07718	1.1
131.08560	10.9
133.06470	1.5
133.10107	18.5
135.08057	3.6
135.11681	8.8
137.09586	1.7
139.07574	0.7
141.06981	1.0
142.07813	0.6
143.08531	6.5
145.06361	0.6
145.10098	12.7
147.08008	2.0
147.11656	22.1
149.09618	6.6
149.13245	5.3
151.11124	3.3
155.08501	1.7
157.10120	2.4
159.11644	7.3
161.09579	3.4
161.13202	8.0
163.11101	5.3
165.12703	0.8
169.10075	2.1
171.11655	16.9
173.04424	0.9
173.11914	0.7
173.13278	2.2
175.11295	0.7
176.35220	0.8
177.12759	2.1
179.14256	1.5
181.12193	0.9
183.11655	1.0
184.07335	1.8
185.13185	0.8
187.11179	0.6
189.12735	5.6
193.12155	0.6
195.13713	2.8
197.13359	0.9
207.13754	14.6
225.14821	1.1
227.12749	2.0
229.14330	0.9
229.19467	1.3
247.20593	1.2
251.16418	0.7
253.14282	10.8
255.15799	4.4
257.18854	3.2
263.16437	1.2
263.19760	0.6
269.17444	16.1
273.18427	1.9
275.20023	10.6
279.15799	1.0
281.17429	42.3
282.17603	0.7
283.15317	2.5
291.19553	2.2
293.21072	1.6
331.22568	0.9
343.80713	0.6
347.22562	0.7
349.23663	9.8
365.23203	1.7
367.24667	2.4
413.21509	1.2
435.27808	1.2
457.29520	2.0
459.30859	0.9
461.28970	17.8
462.29108	0.8
475.30475	100.0
476.31006	3.5
479.26041	2.1
505.05576	0.8
527.37024	1.3
537.35657	2.4
555.36792	23.5
556.36945	0.9
573.35907	5.7
619.34723	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	770.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.2
55.05506	39.8
57.03427	17.6
57.07051	3.4
58.16740	1.0
59.04988	3.0
61.02911	4.7
65.03929	4.6
67.05495	83.7
68.05832	1.6
69.03427	10.7
69.07061	37.8
69.58262	8.6
71.01340	1.8
71.04984	7.2
73.02906	2.3
73.06547	2.1
77.03918	2.6
79.05482	93.3
80.05794	1.1
81.03408	20.0
81.07044	83.5
83.01324	5.1
83.04972	19.5
83.08605	23.2
85.02886	8.3
85.06527	4.4
86.09693	3.1
89.48605	1.2
91.05468	80.4
92.05801	1.1
93.07030	100.0
95.04957	31.2
95.08596	44.7
97.02878	8.9
97.06506	13.2
97.10152	13.9
98.20670	1.0
99.04433	2.6
99.08086	3.1
103.05479	2.4
105.04491	1.9
105.07014	60.0
107.04937	17.0
107.07845	2.2
107.08581	43.0
109.02885	3.0
109.06509	15.9
109.10141	17.4
109.10832	2.1
111.04433	2.9
111.08058	5.6
115.05446	4.0
117.07008	25.6
118.07352	1.0
119.08565	47.5
121.06522	7.3
121.10133	20.9
123.04434	1.2
123.08057	12.7
123.11671	2.6
125.00039	2.5
125.09587	9.4
126.27881	1.0
127.03887	3.0
127.07560	1.9
128.06245	3.3
129.05502	2.4
129.06990	22.7
129.07893	1.6
130.07745	3.0
131.08548	26.0
133.06480	4.2
133.10107	30.1
135.08040	6.4
135.11676	18.2
137.09586	5.8
141.06992	4.2
141.09035	1.4
142.07793	1.7
143.08560	14.2
145.10103	33.9
147.07991	10.0
147.11659	39.2
149.09607	8.4
149.13240	6.4
151.11116	3.1
153.09091	1.3
153.12724	2.2
155.08533	5.0
157.10106	8.0
159.11687	17.3
161.09604	7.1
161.13239	12.0
163.11160	19.6
165.09077	2.2
167.08513	1.2
169.10088	5.2
171.11656	24.4
173.04474	1.8
173.09616	2.6
173.11890	1.6
173.13199	5.8
175.11171	3.3
175.14862	1.4
177.12715	3.6
179.14258	2.0
181.10103	2.1
181.12242	2.1
182.10794	1.3
183.11693	4.3
184.07329	12.0
185.13234	5.6
187.11203	1.5
187.14862	2.1
189.11143	3.9
189.12740	9.9
191.10629	2.4
195.11595	1.2
195.13806	2.5
197.13310	3.3
199.14851	1.7
201.12611	1.6
202.73621	1.1
205.15771	1.7
207.13762	23.1
209.11726	3.7
211.14966	1.3
213.16351	1.1
215.14410	1.3
217.15784	2.3
223.13188	11.5
225.14728	1.4
227.12749	11.1
229.14163	1.2
229.19568	1.8
239.17967	4.3
249.14761	1.7
253.14363	5.5
253.17780	1.5
255.15767	6.9
257.18939	15.5
259.20599	2.2
265.14319	1.2
267.15930	4.1
269.17334	8.7
273.18405	7.5
275.20032	29.7
279.15906	1.4
281.17438	72.3
283.15356	57.2
284.15784	2.1
290.21960	1.2
291.19489	59.4
292.19821	1.4
293.20996	2.5
313.26859	1.2
331.22754	3.8
333.24329	1.6
347.22098	2.0
349.23630	24.2
351.04016	1.1
365.18951	2.2
365.23203	33.8
366.23639	2.4
367.24814	2.2
435.27466	2.1
445.30582	1.9
451.26822	3.1
457.29102	1.3
461.28842	25.9
462.29611	1.5
463.31995	1.5
475.30557	59.7
476.30762	3.1
479.26294	1.5
493.27798	2.1
497.32828	2.4
515.33759	2.5
527.37402	1.6
537.35925	7.3
541.35107	3.8
555.36884	52.1
556.36499	3.0
573.33936	71.5
574.34344	4.9
576.83063	1.2
608.43732	6.2
712.59161	1.3
770.48267	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.4
55.05502	22.3
57.03428	9.8
57.07063	1.0
61.02907	1.8
65.03933	3.7
67.05495	66.5
67.41773	0.7
69.03416	4.5
69.07058	25.1
70.22353	3.5
71.04976	5.2
73.02921	1.0
73.06526	1.6
77.03913	1.0
79.05482	79.9
80.05825	0.6
81.03410	13.2
81.07045	68.0
82.07387	0.9
83.04968	16.9
83.08607	13.3
84.56951	0.7
85.02879	3.3
85.06526	4.2
86.09696	1.3
91.05467	64.7
93.07029	79.4
95.04955	23.1
95.08593	33.1
97.02895	3.8
97.06515	16.0
97.10143	8.3
99.04430	1.5
99.08062	2.9
103.05451	1.9
105.04506	2.3
105.07013	47.9
107.04938	11.5
107.08577	33.5
109.02854	2.2
109.06499	8.5
109.10136	9.7
111.04411	0.8
111.08073	3.6
113.09637	0.9
115.05476	2.6
117.07002	17.2
119.08566	32.0
121.06477	7.8
121.10128	11.2
123.08054	6.6
123.11683	2.9
125.09614	5.5
127.03883	2.4
127.07536	1.6
128.06151	3.5
129.05432	1.0
129.06134	1.3
129.06995	17.1
129.52299	0.7
130.07774	1.8
131.08554	14.2
133.06442	1.7
133.10114	20.8
135.08012	3.0
135.11658	10.6
137.05959	1.0
137.09572	2.5
139.07541	0.9
141.06952	1.1
142.07774	0.9
143.08537	11.0
145.06416	1.0
145.10109	19.0
147.00998	0.8
147.08026	2.7
147.11665	34.9
149.09605	11.7
149.13249	6.3
151.11147	2.5
153.08946	1.0
155.08551	1.7
156.09399	0.9
157.10100	3.1
159.11665	9.4
161.09660	4.5
161.13226	11.3
163.11147	8.7
163.14757	1.2
165.12796	0.8
169.10141	2.3
171.11670	23.4
173.04463	3.1
173.09653	0.9
173.13274	4.9
175.11134	1.7
177.12732	2.5
179.14270	2.4
183.11687	1.8
184.07164	1.7
185.13293	1.3
187.11104	1.0
187.14713	1.1
189.11151	1.7
189.12730	8.1
191.14285	0.8
195.11813	0.8
195.13797	2.7
197.13280	1.7
207.13766	28.4
213.16396	1.0
215.17796	1.0
217.15785	0.9
225.14821	2.7
227.12718	9.3
229.19511	1.0
239.17978	2.6
247.20570	1.4
248.77307	0.8
251.16322	1.1
253.14262	2.9
255.15765	4.5
257.18988	9.2
263.16327	1.1
267.15866	1.8
268.39136	0.7
269.17413	13.0
273.18399	1.3
275.20010	30.0
279.15939	1.7
281.17432	75.3
282.17825	1.9
283.15463	1.9
291.19266	0.9
293.21121	2.5
331.22571	1.5
349.23679	24.0
350.24084	0.9
365.23810	1.0
367.24936	1.9
377.23267	1.9
413.21637	1.6
435.27368	3.7
443.28125	1.0
447.31110	0.9
451.26877	3.3
457.29477	1.4
458.75302	0.7
459.30826	2.0
461.28976	29.6
462.29120	1.2
463.31973	1.1
475.30493	100.0
476.30908	4.3
479.26013	1.1
491.29776	1.0
493.27454	1.0
515.33698	2.4
527.37042	1.8
537.35822	4.9
555.36774	55.8
556.36951	2.6
573.38013	8.9
595.31201	2.3
619.34552	4.0
717.42584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.4
55.05255	1.7
55.05505	26.3
56.53418	1.1
57.03432	10.4
57.07057	2.4
61.02900	1.8
63.70853	1.2
65.03928	4.2
67.05496	82.3
68.05836	1.4
69.03412	7.9
69.07056	30.1
69.76086	9.2
71.01324	1.9
71.04986	6.2
79.05482	100.0
80.05821	1.6
81.03408	13.7
81.07047	83.3
83.04970	21.4
83.08612	12.6
85.02891	5.3
85.06535	5.0
87.49111	1.0
91.05466	89.4
92.05804	1.5
93.04148	1.3
93.07030	97.6
94.07350	2.1
95.04961	27.4
95.08592	46.1
97.02870	4.0
97.06532	16.9
97.10144	6.4
99.04472	2.6
99.08079	4.8
103.05444	2.3
103.07569	1.3
105.04507	2.8
105.07016	77.3
106.07338	1.9
107.04951	11.9
107.08576	43.6
109.02847	2.1
109.06515	9.2
109.10144	15.8
110.10471	1.7
111.08069	5.2
113.24868	1.2
115.05466	2.7
117.06996	21.7
119.08561	53.5
121.06509	7.1
121.10125	19.7
123.08025	9.2
123.11699	3.8
125.09599	2.2
127.03925	3.5
127.07505	1.6
128.06165	4.1
129.05527	1.3
129.06981	27.1
130.07745	2.0
131.08553	19.5
133.10120	35.9
134.10422	3.0
135.08009	3.1
135.11699	11.7
137.09610	3.8
139.11148	1.2
141.07021	3.0
141.09148	1.7
143.08546	16.0
145.06487	1.4
145.10104	24.8
145.65814	1.4
147.08011	4.9
147.11662	57.9
149.09615	8.7
149.13248	12.2
151.11183	3.4
155.08621	1.3
157.10100	4.2
159.11667	17.1
161.09599	6.5
161.13235	22.5
163.11125	7.0
163.14835	2.4
167.49751	1.4
169.10144	3.6
171.11665	37.7
172.12061	1.6
173.13219	8.4
175.11148	1.9
175.14816	5.0
177.12737	3.9
179.14250	2.9
181.10133	2.0
183.11623	2.9
184.07341	3.2
185.13237	3.6
187.11177	2.7
187.14813	3.0
189.11250	1.7
189.12732	13.4
195.13789	5.2
197.13203	1.5
199.14885	2.7
207.11938	1.2
207.13756	31.5
208.14091	1.5
213.16397	1.5
217.15831	1.9
225.14832	2.9
227.12604	3.1
229.19357	1.6
231.21188	1.2
239.18037	2.9
241.19524	10.4
253.14355	3.7
254.14658	3.9
257.18988	10.3
259.20535	29.2
261.22040	1.2
269.17447	13.8
275.20023	15.6
279.15881	9.4
281.17447	68.7
282.17834	3.2
291.19415	3.3
292.19922	1.3
293.20859	2.1
313.21674	1.5
315.23141	2.6
331.22586	2.2
333.24152	19.9
349.23706	9.4
431.39294	1.4
436.05878	1.3
439.93277	1.2
447.32144	3.5
457.29388	1.8
465.33725	3.9
475.30466	60.2
476.31064	1.7
479.28955	2.0
483.34290	1.8
508.34979	1.2
521.36328	1.7
529.38745	1.8
539.37244	34.4
540.37280	1.8
555.36554	12.0
557.38251	13.2
571.36340	1.6
572.36340	2.3
573.36926	8.7
798.82050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.1
55.05502	30.1
57.03428	13.4
57.07064	1.5
59.04965	2.6
60.08134	0.8
61.02919	4.2
65.03901	2.5
67.05494	48.2
68.05813	1.1
69.03074	1.0
69.03417	10.1
69.07056	31.1
71.01316	1.3
71.04971	5.9
73.02878	2.3
73.06509	1.0
77.03879	1.6
79.05481	53.7
80.05791	1.4
80.06232	0.6
81.03405	20.4
81.07044	50.6
82.07362	0.8
83.01331	5.2
83.04467	0.9
83.04964	15.6
83.08138	1.1
83.08604	19.4
85.02895	7.3
85.06523	3.9
86.09692	3.2
87.04425	1.1
91.03935	1.2
91.05466	47.5
92.05757	0.9
93.07027	56.0
94.07351	1.1
95.01305	1.2
95.04952	17.9
95.08591	28.2
97.02872	13.1
97.05972	0.8
97.06517	8.6
97.10153	14.7
99.04449	3.5
99.08053	1.3
101.94534	0.6
103.05439	2.2
105.04507	0.7
105.07017	38.5
106.07313	0.9
107.04273	1.1
107.04937	14.2
107.08577	29.7
109.02831	2.7
109.06490	9.7
109.10135	16.4
111.04404	2.4
111.08062	4.8
113.05962	1.0
115.05447	3.5
117.06995	22.6
119.04890	1.3
119.08566	31.6
120.08916	1.1
121.06484	8.6
121.10120	16.6
123.04411	1.5
123.08056	10.2
123.11648	2.4
124.99982	1.8
125.05965	1.7
125.09615	10.8
125.73161	0.7
127.03862	2.5
128.06197	2.6
129.05489	0.8
129.06973	11.9
130.07712	1.5
131.04869	1.0
131.08548	19.5
132.24852	0.6
133.06500	4.0
133.10104	17.4
134.10402	0.7
135.08063	5.2
135.11671	13.6
137.05989	0.7
137.09605	4.7
139.07451	0.8
139.11148	1.0
141.06953	2.9
141.09068	0.9
142.07716	1.2
143.08530	9.4
144.09256	0.9
145.06454	1.9
145.10106	28.1
147.08022	6.9
147.11664	15.9
149.09616	5.0
149.13237	3.7
151.07507	0.8
151.11122	2.8
153.09120	0.7
153.12683	1.6
155.08527	3.6
156.09180	0.7
157.10088	6.7
159.08018	1.3
159.11653	11.4
161.09596	5.1
161.13217	5.3
162.10329	1.1
163.09814	1.3
163.11159	20.2
165.09064	2.0
165.12712	0.8
167.08513	1.4
169.10127	4.1
169.12259	1.0
170.10495	0.9
171.10188	1.0
171.11633	9.9
172.11925	0.7
173.04446	1.1
173.09572	2.9
173.11806	1.2
173.13216	4.2
175.11148	3.0
175.14760	0.9
177.12733	2.5
179.14339	1.1
181.10039	1.4
181.12148	2.3
183.11674	2.8
184.07326	9.8
185.13219	3.3
187.11154	1.9
187.14828	0.9
189.11159	4.9
189.12717	3.9
191.10616	1.5
193.12193	1.9
195.11642	1.8
195.13768	1.7
197.13181	1.9
199.14767	1.4
203.14244	1.3
205.12234	2.2
205.15727	0.8
207.11986	1.1
207.13770	6.3
209.11613	4.5
209.13318	0.8
211.13115	0.9
211.14894	0.9
219.17380	1.5
223.13235	17.3
227.12753	12.6
229.14230	1.3
229.19507	1.6
231.17609	0.8
237.16388	1.2
239.17879	3.9
245.19020	1.3
249.14734	3.3
253.14264	4.6
257.18954	10.5
259.20517	1.4
267.15820	4.9
269.17456	1.6
273.18430	13.4
275.20035	11.6
279.15790	1.5
280.01721	0.8
281.17422	23.4
283.15347	75.9
284.15704	2.6
291.19492	99.7
292.19687	4.1
292.25250	1.0
309.20468	1.3
331.22739	4.1
347.22098	2.2
349.23679	6.6
365.23175	52.1
366.23523	2.6
435.27393	2.1
445.30338	1.0
451.26636	1.0
453.24878	1.3
461.28839	3.0
463.31784	0.8
475.30991	8.2
476.30823	0.8
485.32367	1.5
493.27963	3.7
505.27808	1.1
519.34259	0.8
537.35938	4.2
541.35181	9.6
542.35730	0.9
555.37073	19.5
556.37183	1.0
559.36072	0.8
573.34088	100.0
574.34375	8.0
591.35260	1.6
607.43274	1.2
608.35175	0.9
608.43860	4.0
770.49573	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49380	0.8
55.01866	7.7
55.05503	20.6
57.03424	6.7
57.07055	2.3
59.04995	1.2
61.02919	1.6
63.66583	0.7
65.03921	3.4
67.05494	64.3
69.03409	5.5
69.07059	17.0
69.63051	1.8
69.63461	4.8
71.04993	4.6
73.02927	0.9
73.06552	1.1
79.05482	66.4
80.05824	1.9
81.03407	13.5
81.07044	65.2
82.07376	1.9
83.04967	15.3
83.08610	8.5
85.02893	3.4
85.06530	4.9
86.09702	2.4
91.05466	70.2
92.05785	2.7
93.07028	66.1
94.04185	0.8
94.07378	1.3
95.01344	0.8
95.04957	24.7
95.08591	28.6
97.02872	3.0
97.06510	7.4
97.10143	4.6
99.04412	1.8
99.08061	1.7
103.05460	2.9
105.04522	1.9
105.07014	56.8
106.07341	1.3
107.04931	11.4
107.08575	34.4
108.08916	0.9
109.02792	0.9
109.06494	9.7
109.10138	31.6
110.10469	0.9
111.04446	2.8
111.08060	3.6
113.05940	1.2
115.05442	1.8
117.07003	13.4
119.04937	0.7
119.08562	26.1
121.06509	11.5
121.10116	9.7
121.12458	1.0
121.59716	0.7
123.04499	0.8
123.08036	6.6
123.11657	5.4
125.05973	1.6
125.09595	2.3
127.03842	1.3
127.07533	3.2
128.06201	3.3
129.06987	14.6
130.07726	1.0
131.04868	0.8
131.08554	13.1
133.06480	7.6
133.10110	46.7
134.10338	0.8
134.12869	0.9
135.08047	8.9
135.11646	6.5
137.05968	1.0
137.09604	2.0
139.07533	2.0
140.20183	0.7
141.06996	1.0
142.07779	1.4
143.08525	10.1
145.06479	0.9
145.10100	12.9
147.08041	5.5
147.11662	25.4
148.11905	1.1
149.09583	7.4
149.13235	1.0
151.07539	1.0
151.11153	17.7
153.09052	0.9
155.08507	1.2
156.09361	1.3
157.10159	4.3
159.08032	3.3
159.11678	5.3
161.09619	9.4
161.13214	10.1
163.11151	2.8
165.09126	1.4
169.10074	1.6
169.12225	3.1
170.10617	0.8
171.11650	18.8
172.12003	1.7
173.09564	1.3
173.13164	1.0
175.11142	4.3
175.14830	1.9
177.09087	2.4
177.12715	0.8
179.10776	1.1
179.14325	1.5
181.10172	1.3
181.12282	0.8
184.07285	5.5
185.09581	0.9
185.13193	1.8
187.11168	1.6
189.12724	8.6
193.12309	1.1
197.13341	1.0
201.16373	1.1
203.14206	1.2
207.13750	19.2
213.12874	1.2
215.12657	1.5
217.12225	1.4
225.14842	1.9
227.17914	2.3
245.18958	5.2
251.12682	5.0
253.14307	53.7
254.14745	1.4
255.17416	3.6
263.20001	3.5
273.18454	34.8
275.19882	1.2
279.15833	0.9
281.17413	42.3
282.17789	1.5
291.19489	29.0
301.21552	1.6
309.20538	3.3
329.21021	1.5
347.22095	14.1
357.23853	1.0
365.23163	24.7
383.24179	1.0
436.27640	1.1
459.27264	1.3
475.26709	3.3
477.28397	21.7
478.28351	1.4
491.29410	1.5
543.36438	1.5
553.26544	1.1
553.35101	20.8
554.35394	1.3
571.36206	100.0
572.36530	7.4
589.37207	2.0
596.38983	0.9
609.45001	2.8
740.80084	0.8
768.45837	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01648	0.9
55.01868	8.7
55.05256	1.3
55.05506	18.1
57.03433	7.9
57.07060	1.2
58.59684	0.7
59.04980	0.9
61.02903	2.1
64.75275	0.8
65.03934	2.9
65.49137	0.7
67.05495	67.6
69.03422	3.9
69.07059	18.3
69.27374	1.6
69.27772	7.4
71.04990	4.2
73.06531	1.9
77.03876	1.0
79.05480	71.0
80.05805	1.1
81.02962	1.1
81.03406	10.7
81.07045	67.5
82.07378	0.8
83.04967	15.0
83.08603	8.1
85.02880	2.8
85.06532	4.7
91.05466	67.4
92.05798	0.8
93.07029	66.2
94.07359	1.4
95.04951	22.8
95.08592	28.4
97.02869	2.6
97.06508	6.7
97.10152	3.4
99.04436	1.4
99.08098	1.5
101.06014	1.0
103.05446	1.7
105.04530	2.0
105.07018	60.7
107.04948	12.3
107.08578	38.3
109.06498	10.1
109.10143	38.6
110.10474	0.9
111.04424	2.2
111.08070	3.3
113.05982	2.0
114.23956	0.8
115.05444	2.1
117.06997	10.8
119.08567	25.4
120.08923	0.7
121.06516	8.0
121.10115	8.8
123.08060	7.3
123.11686	6.5
125.09645	0.9
127.07529	2.7
128.06198	2.9
129.06985	15.9
130.07759	1.0
131.08551	13.3
133.06485	6.1
133.10110	53.6
134.10431	1.1
135.08043	7.0
135.11664	6.0
137.05919	0.9
137.09587	3.1
139.07538	1.2
141.06941	1.6
143.08545	10.1
145.06467	1.6
145.10100	13.5
147.08031	4.8
147.11670	27.4
148.12000	0.8
149.09587	5.1
149.13254	1.5
151.09950	1.3
151.11160	23.9
156.09343	1.0
157.10103	3.5
159.08049	1.7
159.11699	4.1
161.09587	10.2
161.13222	10.4
163.11166	2.9
165.09033	1.0
166.48026	0.8
169.10115	1.0
169.12234	3.0
171.11658	23.6
173.09692	1.4
173.13281	1.8
175.11130	5.4
175.14830	0.8
177.09074	2.2
177.12791	0.9
179.10573	1.1
179.14346	1.4
181.10139	1.0
185.09558	0.8
185.13191	1.4
187.11191	1.4
189.12685	9.6
195.11693	1.1
199.11316	1.3
199.14857	0.9
205.12360	1.1
207.13774	24.0
215.12799	2.0
217.12230	1.0
225.14838	1.9
227.17950	1.7
231.82327	0.7
234.53799	0.8
235.16985	0.8
245.18932	5.0
251.12746	4.6
253.14313	81.6
254.14714	1.6
255.17451	3.4
263.20068	2.6
271.15387	1.5
273.18448	28.6
274.18671	1.2
275.05844	0.9
275.20084	0.9
281.17432	54.1
282.17896	2.2
291.19489	36.2
292.19952	1.1
301.21533	1.7
309.20587	2.5
329.21155	1.8
347.22079	15.5
347.25964	1.3
365.23196	29.7
366.23569	1.1
383.24594	0.9
475.27005	2.6
477.28421	32.1
478.28717	1.6
479.31381	1.2
543.36615	1.7
553.35260	18.5
554.35706	1.7
571.36218	100.0
572.36475	7.3
589.37018	2.0
609.45020	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.5
55.05505	10.2
57.03429	8.6
57.07067	13.5
60.08147	2.3
67.05162	2.2
67.05498	28.8
69.03395	1.4
69.07057	11.1
69.63641	9.5
70.47890	1.3
71.04973	2.4
71.08617	11.3
76.44839	1.4
77.83297	1.2
78.09268	1.2
79.05480	28.8
81.03407	25.3
81.07046	30.7
83.04984	6.5
83.08619	12.5
85.02879	2.1
85.06509	1.7
85.10175	6.5
86.09699	10.0
91.05468	22.1
93.07026	27.1
95.04959	13.0
95.08595	27.2
97.06514	2.9
97.10146	4.6
99.08067	1.7
105.07018	18.8
107.04947	3.3
107.08584	11.3
109.06499	4.9
109.10123	10.5
111.08067	2.7
117.07011	2.5
119.08573	10.6
121.06490	2.4
121.10123	8.5
123.08015	3.4
123.11678	4.0
125.00003	9.8
129.06984	9.8
130.15898	5.9
131.08549	6.0
133.10107	5.8
135.11664	5.0
143.08542	1.7
145.10101	5.9
147.08083	2.2
147.11649	13.4
149.13245	3.0
151.11147	1.7
157.10071	3.0
159.11691	1.5
161.09579	2.7
161.13235	3.9
165.12717	1.4
171.11691	7.5
173.13269	1.9
175.11157	3.8
184.07317	41.7
189.12759	3.8
193.12242	10.8
207.13840	13.6
211.32867	1.5
235.33070	1.3
239.23743	1.6
243.21077	1.7
261.22104	5.5
267.15872	34.5
279.15994	2.6
281.17435	54.1
282.17633	1.4
291.19531	2.7
313.27335	42.9
314.27655	2.6
317.24661	1.5
335.25760	46.4
415.26984	2.7
467.36951	1.7
489.30795	1.6
498.82513	1.3
505.31375	1.8
505.38834	32.5
506.39108	3.6
507.40140	2.2
541.38806	100.0
542.39526	8.7
547.39844	2.7
559.39807	3.4
601.40497	2.1
624.46460	1.5
625.44397	19.0
626.44965	1.9
766.50403	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	766.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05021	0.7
57.07067	0.3
58.06612	0.5
60.08153	6.3
67.05487	0.4
69.07027	0.2
71.07359	2.8
71.08627	0.3
71.63172	0.3
74.09721	0.2
79.05479	0.3
81.03406	0.8
81.07042	0.6
86.09692	29.3
91.05467	0.3
93.07057	0.5
95.04974	0.2
95.08592	0.5
96.84789	0.2
98.98454	2.5
104.10719	1.8
105.07011	0.3
107.04985	0.2
107.08587	0.2
109.10146	0.3
119.08546	0.3
121.10130	0.3
124.99985	18.5
133.10167	0.2
143.01077	0.3
160.11197	1.0
184.07307	100.0
185.07684	1.3
193.12138	0.4
195.00204	0.2
258.08801	1.1
267.15820	0.5
304.26031	0.2
313.27353	0.4
351.47797	0.2
461.77911	0.2
505.38708	0.4
625.43970	0.3
659.69269	0.2
716.48444	9.2
717.48462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
55.05503	8.2
55.24162	0.6
57.03189	0.8
57.03433	12.2
57.07067	30.8
67.05173	0.9
67.05497	15.1
69.03410	2.3
69.07051	7.2
71.04960	1.7
71.05677	1.1
71.06007	0.8
71.08623	21.9
74.09712	0.8
79.05129	0.7
79.05485	8.3
81.03405	58.9
81.06573	1.1
81.07040	18.7
83.04976	3.2
83.08604	19.2
84.08929	0.7
85.02875	2.9
85.06521	1.5
85.10165	13.5
86.09700	3.4
89.05988	2.2
91.05461	11.3
93.07027	7.8
95.01307	0.8
95.04953	17.0
95.08586	21.1
97.02855	2.1
97.06508	1.7
97.10143	5.7
98.14964	0.6
98.21338	0.7
99.11695	0.9
104.10700	0.7
105.07001	11.1
107.04925	4.2
107.08541	3.9
109.06502	2.4
109.10136	10.1
111.04407	1.7
111.08066	6.3
113.02361	0.7
115.05440	1.0
117.06985	1.7
119.08563	10.1
121.06475	2.2
121.10123	5.0
123.04382	2.7
123.08013	0.9
123.11690	3.5
124.99950	2.9
125.09602	0.9
129.06976	5.8
131.03435	0.8
131.08527	5.5
133.06468	2.4
133.10100	3.9
135.11652	1.5
137.09550	1.2
137.13205	1.9
141.01791	1.8
142.07755	1.5
143.08611	0.8
145.10098	2.2
147.04459	0.9
147.08017	2.2
147.11678	4.8
149.09570	2.3
157.10078	8.2
161.09445	0.9
163.11156	1.6
165.12711	1.6
171.11671	0.7
175.11145	6.9
184.07329	13.5
193.12215	26.7
194.12619	1.0
211.13309	1.8
217.12225	0.8
223.13187	1.2
235.13170	3.1
239.23613	3.4
249.14806	2.1
249.39980	0.7
257.24759	2.0
267.15872	99.5
268.16174	2.8
271.13242	1.0
277.14160	1.1
287.12949	0.8
289.14301	2.8
309.17038	3.2
313.27307	100.0
314.27640	2.8
315.12219	1.2
331.28201	1.0
333.13312	1.5
335.25735	1.2
345.16986	1.2
351.14359	1.7
351.94672	0.6
415.26840	1.5
425.17966	1.2
443.19257	3.7
489.30453	2.3
505.38797	80.2
506.39044	4.3
507.40683	1.0
523.39697	2.0
541.38647	1.1
547.39819	5.5
601.40857	1.6
625.44214	1.7
627.38550	2.0
645.39618	1.4
663.40582	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.2
56.05031	0.8
58.06608	0.5
59.07409	0.2
60.08154	5.2
67.05497	0.5
69.07055	0.4
69.58804	1.3
71.07362	2.8
79.05479	0.3
81.07034	0.5
86.09692	27.8
87.10034	0.4
90.55478	0.1
91.05479	0.2
93.07021	0.2
95.08585	0.4
98.98452	2.3
104.10726	2.2
105.07011	0.3
107.08591	0.3
119.08541	0.2
121.10114	0.2
124.99982	19.0
133.10138	0.3
135.11635	0.2
143.01035	0.5
147.11586	0.2
166.02666	0.3
176.79199	0.1
184.07312	100.0
185.07669	1.0
232.12550	0.2
377.65750	0.2
575.49561	0.3
635.09064	0.2
764.39563	0.2
764.52063	3.2
765.51306	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
57.03426	0.3
57.07067	1.7
67.05495	4.4
68.05827	0.2
69.07059	4.8
71.00607	0.4
71.08617	1.1
79.05071	0.3
79.05484	4.0
81.07047	3.4
83.04960	0.2
83.08610	3.3
85.10165	0.4
86.09687	0.6
91.05473	2.4
93.06477	0.3
93.07037	4.3
93.32810	0.2
95.03372	0.2
95.04958	0.5
95.08590	2.4
97.10148	2.2
98.98399	0.3
104.99219	0.8
105.07018	1.1
107.08589	1.7
109.10115	1.0
111.11702	0.4
115.03679	1.7
117.06997	0.6
119.08528	0.8
119.57673	0.2
120.96615	0.7
121.10115	1.3
124.26460	0.2
124.93711	0.3
131.08517	0.6
133.10115	0.5
135.11708	0.4
145.10063	0.5
146.98154	0.3
176.99220	3.6
184.07280	0.7
193.12227	0.2
195.00275	100.0
196.00591	0.3
198.97391	1.8
216.98599	0.2
236.02873	0.4
262.97980	0.2
331.26358	0.5
344.98297	0.2
407.32938	0.2
413.20850	0.3
437.20398	0.3
487.24380	0.5
499.03970	0.2
505.39102	0.6
511.24442	0.5
529.25031	0.3
571.47144	4.1
575.50891	0.4
576.50647	2.2
593.45325	25.0
594.45679	1.0
611.45996	1.1
667.52802	0.4
706.44611	0.3
765.46631	17.7
766.47241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80006	0.1
55.01863	0.2
55.05500	1.4
56.05023	0.6
57.03425	0.3
57.07063	3.5
58.06349	0.2
58.06625	0.5
59.04981	0.1
60.08150	5.3
60.50972	0.1
61.29157	0.1
65.03923	0.2
65.81105	0.1
67.05489	5.2
69.03447	0.1
69.07054	2.1
70.91563	0.1
71.04974	0.3
71.07355	2.6
71.08620	2.5
79.05473	1.9
81.03397	1.2
81.07035	4.2
83.04972	0.2
83.08600	2.0
85.06504	0.2
85.10151	1.2
86.09685	27.6
87.08673	0.2
87.10034	0.1
91.05450	1.7
93.07024	2.1
95.04958	0.7
95.08590	3.4
97.06499	0.6
97.10149	0.9
98.20757	0.2
98.98439	2.7
104.10725	2.2
105.07011	1.4
107.04916	0.3
107.08566	1.6
109.06487	0.4
109.10128	3.1
111.08047	0.3
111.11679	0.1
117.06995	0.7
119.08565	0.9
121.06472	0.2
121.10118	0.7
121.85484	0.1
123.08075	0.2
123.11671	0.5
124.99975	17.8
125.09611	0.3
129.06963	0.4
131.08528	0.8
133.10094	0.9
133.37192	0.1
135.07964	0.2
135.11652	0.3
137.09511	0.3
142.02423	0.1
145.10112	0.6
147.08070	0.1
147.11624	0.8
149.09587	0.5
149.13240	0.3
153.09071	0.1
155.01056	0.2
156.09100	0.1
157.10126	0.2
159.11659	0.4
161.13251	0.2
163.11186	0.2
166.02698	0.3
173.11647	0.4
175.11124	0.2
177.12715	0.2
179.14301	0.1
184.07297	100.0
185.07649	1.0
185.13197	0.1
193.12180	0.4
195.13893	0.2
196.13367	0.2
198.14850	0.2
227.12730	0.2
239.23544	0.3
251.39774	0.1
252.80605	0.2
257.19058	0.2
267.15811	0.7
275.20013	1.3
282.27786	0.4
307.18665	0.1
313.27277	1.5
317.15796	0.2
318.24252	0.2
339.28992	0.4
349.23578	0.5
367.24728	0.2
467.37247	4.8
468.37631	0.3
505.38803	1.9
507.33383	0.3
507.40338	4.1
508.40494	0.4
531.39752	0.3
547.43402	0.3
569.45514	0.7
569.52820	0.2
587.46576	7.1
588.47003	0.3
590.37714	0.6
605.38800	0.3
605.47656	4.0
606.47784	0.3
608.38708	0.3
630.41132	1.3
710.46661	0.4
714.46875	10.1
715.46313	0.6
728.48474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76100	0.3
55.01862	0.8
55.05497	1.7
56.84538	0.4
57.03422	1.9
57.26397	0.4
59.10678	0.4
60.08143	0.6
61.02911	3.2
67.05494	6.0
69.03418	2.4
69.07058	2.3
69.50343	0.4
71.04980	0.8
71.62366	0.6
73.02906	3.2
79.05485	4.1
81.03400	2.2
81.07047	7.2
83.04988	0.7
83.08625	1.4
84.08094	0.4
84.23871	0.4
85.02897	4.0
85.06530	0.6
86.09691	2.8
91.03935	3.2
91.05478	3.5
93.07031	5.4
94.07367	0.4
95.04942	2.0
95.08603	2.3
97.02885	2.8
97.06530	1.4
97.10165	0.5
99.04433	1.1
101.02384	1.7
103.03909	0.6
104.10709	0.4
105.07015	2.2
107.08588	3.5
109.02863	0.9
109.06494	0.6
109.10151	1.1
111.08099	0.7
117.07006	1.1
119.08552	2.1
121.10152	2.0
123.08041	0.7
124.99997	1.4
127.03954	1.2
127.92971	0.5
131.08545	1.4
133.10126	1.6
135.11710	0.8
141.87747	0.5
145.10075	0.9
147.11667	1.0
149.09605	0.5
149.13283	2.5
158.25099	0.4
159.11708	1.5
161.13211	0.5
167.14183	0.4
173.13287	0.4
184.07329	8.8
185.07755	1.9
193.12234	0.8
195.13815	0.6
211.13211	0.5
230.19196	0.5
235.13097	1.1
241.04979	0.6
243.08383	3.5
251.12645	0.4
269.17221	0.4
333.20297	2.4
389.23233	0.6
389.28156	0.4
439.19254	0.7
451.09586	0.5
453.20932	10.6
469.20407	2.3
535.28839	1.2
551.28223	4.4
601.37500	0.5
763.42249	100.0
764.42499	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	762.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05035	0.6
56.87713	0.1
57.03430	0.1
57.07074	0.1
58.06314	0.1
58.06630	0.4
59.07377	0.1
59.46608	0.1
60.08156	6.1
67.05499	0.5
68.05820	0.1
69.03429	0.1
69.07063	0.2
70.06586	0.2
71.07364	2.9
79.05479	0.3
80.97439	0.1
81.03404	0.4
81.07039	0.7
83.04977	0.1
83.08608	0.1
85.02862	0.1
86.09695	29.3
87.10000	0.4
87.29550	0.1
91.05478	0.2
93.07030	0.3
95.04936	0.2
95.08600	0.4
98.21487	0.2
98.98452	2.9
98.99113	0.1
104.10032	0.1
104.10728	2.2
105.03374	0.1
105.07008	0.3
107.08563	0.2
109.06503	0.1
109.10146	0.2
117.07008	0.1
119.08566	0.3
121.10120	0.2
124.99987	18.7
126.00307	0.1
133.10081	0.1
143.01022	0.3
145.10117	0.1
147.11710	0.1
153.40573	0.1
157.10048	0.1
162.13153	0.1
166.02617	0.2
184.07317	100.0
185.07695	1.1
193.12138	0.1
267.15875	0.3
337.27264	0.2
420.54602	0.1
520.33850	0.1
529.38538	0.2
530.39984	0.1
547.39587	0.2
573.48969	0.1
712.45404	8.6
713.45807	0.6
762.39331	0.1
763.40533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00895	0.1
55.05514	0.1
56.05020	0.6
56.51082	0.1
57.03424	0.1
58.06620	0.4
59.07389	0.1
60.08154	6.0
62.06689	0.1
67.05487	0.6
69.07076	0.2
69.67574	0.6
71.04959	0.1
71.06966	0.1
71.07361	2.7
79.05464	0.2
81.03400	0.3
81.07050	0.7
82.07421	0.1
83.04980	0.1
83.08591	0.1
85.02913	0.1
86.09691	28.3
87.10030	0.2
88.22269	0.1
91.05467	0.3
93.07051	0.4
95.04965	0.2
95.08603	0.3
97.02911	0.1
98.98446	2.7
104.10723	2.2
105.03378	0.1
105.07013	0.3
107.08583	0.3
109.06478	0.1
109.10120	0.2
113.43259	0.1
117.07010	0.1
119.08593	0.2
120.08931	0.1
121.10172	0.1
124.99982	19.0
126.00357	0.2
131.08539	0.1
133.10072	0.2
135.11713	0.1
143.01004	0.3
147.11653	0.1
166.02686	0.2
184.07309	100.0
185.07683	0.9
226.35556	0.1
232.08774	0.1
267.15857	0.1
429.39038	0.1
450.22269	0.2
529.38477	0.1
712.45331	8.1
713.46075	0.6
762.40076	0.4
763.42224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05037	0.5
56.18945	0.1
57.03431	0.1
58.06614	0.6
59.07386	0.2
60.08154	5.4
67.05495	0.5
69.07053	0.2
70.06586	0.2
71.07360	2.6
79.05472	0.3
81.03384	0.2
81.07054	0.4
83.04970	0.2
83.08581	0.1
86.09692	27.7
87.10024	0.3
91.05456	0.3
93.07025	0.3
95.04964	0.1
95.08573	0.2
97.06512	0.1
98.98449	2.3
104.10733	2.2
105.07002	0.2
107.08559	0.1
109.06495	0.1
109.10142	0.1
119.08541	0.2
121.10103	0.2
124.99984	18.4
129.12746	0.1
133.10130	0.2
143.01012	0.2
145.10110	0.1
148.30679	0.1
149.02231	0.1
157.09979	0.1
166.02676	0.1
184.07309	100.0
185.07687	1.2
186.07761	0.2
229.33606	0.1
264.36337	0.1
284.79663	0.1
331.83929	0.1
400.28693	0.1
468.23401	0.2
471.22614	0.1
473.14264	0.2
516.30334	0.1
646.36627	0.1
674.26184	0.1
674.36584	1.8
726.42993	0.1
728.44836	2.8
729.44843	0.1
744.44153	1.1
762.43036	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05022	0.7
57.03423	0.1
57.75574	0.1
58.06612	0.6
59.07390	0.2
60.08154	6.1
67.05489	0.5
69.07046	0.2
69.40234	0.1
69.40640	0.7
70.06573	0.1
71.07361	2.9
71.08624	0.1
71.68703	0.1
79.05478	0.3
81.03392	0.2
81.07030	0.4
83.08589	0.1
85.06506	0.1
86.09689	30.6
86.68034	0.1
87.10035	0.2
91.05473	0.3
93.07024	0.2
95.04941	0.2
95.08602	0.3
97.10191	0.1
98.98446	2.5
104.10727	2.5
105.07009	0.4
107.08567	0.2
109.06508	0.1
109.10115	0.2
111.08089	0.1
117.07001	0.1
119.08572	0.2
121.10129	0.2
123.08070	0.1
124.99982	19.0
126.00274	0.1
131.08508	0.1
133.10164	0.1
134.06693	0.1
135.08009	0.1
135.11618	0.1
143.00999	0.3
147.11581	0.1
149.09596	0.1
151.11150	0.1
163.01532	0.1
163.11206	0.1
166.02591	0.1
184.07306	100.0
185.07663	0.9
189.65097	0.1
222.08945	0.1
297.64471	0.1
450.22208	0.1
486.56757	0.1
515.33191	0.2
518.32141	0.1
644.34436	0.1
646.36713	0.1
674.36493	1.5
728.44763	2.7
729.68048	0.1
744.44397	2.2
745.44000	0.1
762.40649	0.4
763.41132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44571	0.1
55.01860	0.2
55.05490	0.3
56.05036	0.5
57.03406	0.2
58.06623	0.4
59.07392	0.1
60.08154	6.2
61.08474	0.1
61.29111	0.1
67.05503	0.7
69.03414	0.1
69.07047	0.2
70.06577	0.2
71.07362	3.0
71.32021	0.1
71.32339	0.1
71.92244	0.1
79.05472	0.6
81.03399	0.3
81.07034	0.7
83.04962	0.2
83.08605	0.1
85.02864	0.1
86.09692	30.9
87.10015	0.2
91.05464	0.7
93.07027	0.6
95.04951	0.2
95.08580	0.4
96.98793	0.1
98.98449	2.6
104.10727	3.1
105.07011	0.4
107.04962	0.1
107.08580	0.4
109.10123	0.2
117.06993	0.2
117.82923	0.1
119.08564	0.4
121.10130	0.2
122.69981	0.1
123.08019	0.2
124.99984	19.9
125.09627	0.1
126.00297	0.1
131.08482	0.1
133.10097	0.2
135.07974	0.1
135.11655	0.2
143.01006	0.2
145.10114	0.2
147.11650	0.1
149.09576	0.1
157.10060	0.1
165.09158	0.1
166.02618	0.2
172.80258	0.1
184.07312	100.0
185.07710	0.8
186.07835	0.1
229.14238	0.1
275.19913	0.2
284.80603	0.1
547.36151	0.1
662.36530	2.5
666.93066	0.1
726.44128	0.2
744.44257	1.5
762.45355	6.3
763.45538	0.3
776.96515	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	761.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.8
53.86839	0.4
55.01841	0.8
55.05473	1.8
57.03408	1.8
58.06576	1.0
60.08153	5.0
61.02912	3.9
61.08480	0.5
65.03893	0.5
65.52278	0.4
67.05169	0.4
67.05492	4.9
69.03418	2.8
69.07050	4.4
70.06586	0.4
71.04954	1.0
71.07350	2.4
71.62922	0.7
73.02895	3.1
79.05476	4.0
81.03404	3.5
81.07037	6.6
83.04938	1.6
83.08575	1.6
85.02892	5.0
85.06514	0.6
86.09688	21.4
87.04417	0.5
87.09614	0.4
87.10017	3.7
91.03930	2.7
91.05453	5.1
93.06531	0.5
93.07028	4.5
95.04933	1.7
95.08596	3.3
97.02882	4.1
97.06519	2.0
97.10117	0.8
98.98457	1.9
99.04424	0.6
101.02329	1.4
104.10710	1.9
105.06369	0.6
105.07008	6.4
107.04935	2.1
107.08572	2.5
109.02829	0.7
109.06424	0.6
109.10119	1.2
111.08031	0.8
117.06986	1.4
119.08567	4.6
121.06438	0.5
121.10108	1.9
123.08003	0.7
124.99979	14.9
126.00281	0.8
127.03857	1.3
129.06932	0.8
131.08542	2.7
133.10106	3.9
134.10490	0.5
135.07942	0.5
135.11664	0.9
145.10081	1.6
147.11633	2.0
149.09547	0.8
157.10091	1.4
159.11652	1.2
161.13205	0.5
163.11119	1.2
163.81514	0.4
171.11617	0.5
175.11174	0.7
179.14258	1.7
184.07301	79.2
185.07671	11.0
186.07758	0.7
193.12125	0.9
211.13245	0.6
243.08347	3.0
251.12445	1.2
255.34085	0.4
275.20071	1.1
280.53812	0.4
285.17065	0.4
307.15076	0.7
315.19336	3.7
371.22009	1.8
422.69485	0.4
469.20358	6.3
487.50504	0.4
533.27112	11.4
534.27234	0.7
572.46765	0.4
599.35394	0.5
633.35657	0.5
726.44409	0.4
743.44202	0.4
761.40637	100.0
762.41028	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	761.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01851	1.1
55.05505	2.9
57.03428	2.9
60.08150	1.7
61.02912	4.7
65.03902	0.3
67.05489	8.5
68.05824	0.9
69.03423	2.9
69.07059	4.4
70.07383	0.5
71.01357	0.6
71.04985	0.9
71.07355	0.9
73.02908	3.6
75.81284	0.3
79.05479	5.8
80.05795	0.9
81.03394	4.7
81.07041	7.5
82.07389	0.7
83.04514	0.2
83.04954	1.7
83.08607	2.1
85.02892	5.7
85.06529	0.5
86.09689	7.9
87.10029	0.8
91.03953	3.1
91.04887	0.3
91.05463	7.0
92.05791	1.0
93.07021	6.8
94.07359	0.9
95.04936	2.4
95.08599	3.7
96.08929	1.0
97.02876	4.2
97.06520	2.6
97.10163	0.8
98.98440	0.7
99.04436	1.2
99.08067	0.3
101.02339	1.7
103.03954	0.3
104.10727	0.7
105.06996	4.9
106.07358	0.4
107.04924	1.6
107.08571	3.3
108.08913	0.7
109.02880	0.7
109.06491	0.7
109.10126	2.0
110.10435	0.4
111.04457	0.3
111.08057	0.9
117.07007	1.2
119.04896	0.3
119.08553	3.7
121.06478	0.6
121.10090	1.8
123.08088	0.7
123.11692	0.3
124.99984	5.7
125.09631	0.6
127.03876	1.7
129.05487	0.4
129.06972	1.9
131.08546	2.6
133.06535	0.4
133.10112	3.5
134.10521	0.4
135.08017	0.4
135.11658	3.7
136.11983	0.8
137.09630	0.8
143.08557	0.4
145.10062	1.8
147.11646	2.4
149.09601	2.4
149.13353	0.3
151.11078	0.4
157.10127	1.6
159.08096	0.3
159.11685	0.9
161.13232	0.7
162.13680	0.3
163.11214	0.9
165.12776	0.4
171.11661	0.3
173.13252	0.5
175.11208	1.2
179.14301	0.8
181.12149	0.6
184.07301	24.8
185.04236	0.4
185.07658	3.3
186.07707	0.3
193.12184	1.5
203.05360	0.5
204.91649	0.3
211.13237	0.7
229.14246	0.3
229.36533	0.5
243.08334	3.2
251.12552	0.9
255.15860	2.4
256.16141	1.6
267.15869	0.4
275.20099	1.3
276.20401	1.0
307.15305	0.7
315.19250	5.8
349.23822	1.1
350.24344	0.7
371.21939	0.5
404.16846	0.3
409.25803	0.9
410.26120	1.0
467.19434	0.4
469.20346	12.4
529.35400	0.8
530.35370	2.7
533.27063	6.2
546.38348	0.3
572.47833	0.5
605.92206	0.3
673.35382	0.4
727.43335	0.4
761.40613	100.0
762.41034	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	760.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
55.01855	0.6
55.05500	16.2
57.03419	1.2
57.07062	7.0
59.76241	0.3
65.03925	0.6
66.91467	0.4
67.05492	16.0
68.69465	0.3
69.03424	0.4
69.07056	20.1
69.32999	0.5
69.33406	3.3
70.68449	0.4
71.04955	0.5
71.08616	3.9
79.05478	13.6
81.03400	0.8
81.07039	13.8
83.04965	0.5
83.08604	14.6
85.06531	0.4
85.10161	1.8
86.09681	0.9
91.05451	7.2
93.07025	16.0
95.04949	2.0
95.08588	10.8
97.06496	1.0
97.10154	10.9
97.37890	0.4
98.98447	1.3
104.99252	7.0
105.04453	0.4
105.07004	4.9
107.08575	7.1
109.06503	0.8
109.10144	4.2
111.08080	0.6
111.11685	2.6
117.06995	1.4
118.29286	0.3
119.08556	2.8
120.96629	1.2
121.10127	5.6
123.11646	0.7
125.09596	0.4
125.13223	0.6
131.08548	2.2
133.10109	2.7
135.11679	2.3
137.09555	0.4
145.10107	1.8
147.11671	1.6
149.13222	1.3
155.01007	1.0
156.47324	0.4
159.11703	1.0
161.13243	1.1
163.14796	0.7
171.11716	0.4
173.13217	0.6
177.12723	0.4
177.27657	0.3
184.07289	2.3
186.99493	3.3
201.16364	0.4
261.22122	0.8
268.99835	4.2
311.25739	2.9
317.24695	1.0
335.25845	1.2
337.26968	0.4
424.22052	0.9
426.23669	0.7
433.00488	2.1
455.21445	0.9
457.23041	1.5
514.99957	0.5
571.47101	100.0
572.47443	8.2
575.46368	1.7
588.46783	1.7
760.41559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01861	3.9
55.05501	20.6
57.03208	1.2
57.03430	11.0
57.07058	3.0
59.04992	2.7
60.08142	5.7
61.02909	6.0
64.97029	1.1
65.03934	3.1
67.05494	84.4
69.03412	4.7
69.07051	19.2
69.39375	3.4
69.39787	8.9
71.04980	33.1
71.07365	2.4
71.08611	2.3
73.02895	2.4
79.05479	46.1
81.03400	8.2
81.07040	49.9
81.07511	3.0
82.03767	1.2
83.04955	7.3
83.08598	9.6
85.02880	5.3
85.06543	3.9
86.09690	28.4
87.04472	1.7
91.03928	3.1
91.05463	48.7
93.07028	57.6
94.07347	2.0
95.04944	11.4
95.08587	31.2
96.08919	1.6
97.02859	4.8
97.06527	10.6
97.10160	4.5
98.98445	2.5
99.04408	1.5
99.08110	1.8
101.02383	1.3
104.10700	2.7
105.07015	47.2
107.04932	2.7
107.08580	32.9
109.06500	4.2
109.10139	48.5
110.10385	1.2
111.08070	5.3
111.11666	1.4
117.06998	18.0
119.08564	41.5
121.06502	3.0
121.10125	22.0
123.08038	2.8
123.11665	5.3
124.20179	1.2
124.99978	20.2
125.09617	7.2
127.03874	1.8
129.05490	1.7
129.06982	7.7
129.73230	1.2
131.08545	21.5
133.10109	31.2
134.10416	2.1
135.08041	3.1
135.11670	22.3
137.09573	13.5
139.11121	2.7
141.06987	2.3
142.07791	2.2
143.08551	10.6
145.10097	20.0
147.11667	18.4
149.09578	2.8
149.13219	7.3
151.11179	2.2
155.08499	3.6
155.10597	2.2
157.10110	9.6
159.11667	15.8
161.09625	2.8
161.13242	12.3
163.11159	5.3
163.14738	1.3
169.10107	4.9
169.12219	1.9
171.11636	12.2
173.04385	1.3
173.11708	4.8
173.13226	11.1
175.11150	2.4
175.14850	2.7
177.12697	1.9
179.10634	2.2
181.10031	1.4
181.12163	2.9
183.11615	3.9
184.07314	100.0
185.07591	2.0
185.13237	7.8
187.13255	2.9
187.14804	2.9
197.13214	3.7
199.14819	3.1
201.16319	1.9
207.51973	1.2
209.13315	1.9
211.13190	2.2
213.16428	1.7
223.14742	3.0
227.12675	1.5
229.14337	4.6
231.21082	2.6
241.19435	8.2
243.15891	7.3
243.21104	1.6
245.17258	1.6
253.14337	1.5
255.15868	5.8
257.19022	2.3
259.20517	26.9
259.23004	2.4
269.17398	4.0
271.15500	1.3
275.20105	1.6
277.21576	2.1
285.16895	3.8
285.22195	1.8
287.18488	21.2
295.20480	1.5
315.19733	1.5
315.23129	4.7
327.22842	1.5
331.22672	2.2
333.24170	22.5
335.25653	4.0
345.24002	1.6
350.23505	1.5
377.27606	2.0
395.29327	5.4
403.29959	1.6
407.91638	1.3
421.31006	5.9
439.31659	1.8
463.30441	4.4
467.18924	2.2
468.18973	1.8
469.33163	4.3
487.34106	67.6
488.34341	4.0
489.28540	1.3
489.35583	4.0
495.34708	4.0
513.35706	44.4
514.35992	4.4
519.36810	9.0
531.36865	10.6
545.30438	2.2
545.38300	28.5
563.38495	1.8
571.46918	4.7
653.40015	2.0
657.38531	1.5
689.41412	1.4
753.62152	1.5
760.39331	29.1
761.40387	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	760.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.05510	0.5
56.05032	0.6
57.03419	0.5
57.07077	0.1
58.06622	0.5
58.77922	0.1
59.07379	0.2
60.08154	5.6
62.02708	0.1
67.05492	1.9
69.07057	0.5
69.67469	0.1
70.06583	0.1
71.04969	0.2
71.06971	0.2
71.07363	3.1
71.07744	0.2
79.05480	1.4
81.03406	2.2
81.07051	2.1
83.04978	0.2
83.08617	0.7
86.09691	29.2
87.10001	0.2
91.05454	1.0
93.07032	1.5
95.04938	0.9
95.08594	1.4
96.09007	0.1
97.06524	0.1
97.10159	0.3
98.98445	2.8
104.10725	2.0
105.07009	0.7
107.04959	0.2
107.08578	0.8
109.10152	0.7
111.08086	0.2
117.06997	0.3
119.08535	0.7
121.06438	0.3
121.10146	0.7
123.11700	0.2
124.99982	18.9
126.00292	0.1
129.06998	0.2
131.08545	0.5
133.10098	0.5
135.11690	0.4
137.09650	0.2
143.01024	0.3
143.08536	0.1
145.10120	0.3
147.07993	0.1
147.11674	0.5
149.09586	0.2
149.13223	0.2
157.10106	0.4
159.11668	0.3
161.13240	0.1
163.11249	0.1
163.14809	0.2
166.02629	0.2
173.13258	0.2
175.11147	0.3
184.07309	100.0
185.07617	0.5
185.13110	0.2
193.12157	0.6
227.12665	0.2
229.67474	0.2
243.21198	0.1
261.22104	0.5
267.15884	2.6
317.24762	0.2
335.25757	2.3
355.02158	0.1
445.72937	0.1
453.33374	0.2
471.34647	0.1
472.34558	0.1
527.37335	1.5
545.38275	1.6
563.39172	0.2
569.38495	0.2
710.43787	8.0
711.44196	0.3
760.43640	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
54.53400	0.9
55.01870	3.2
55.05505	21.8
57.03431	20.0
57.07057	2.3
60.08159	4.6
61.02895	1.8
65.03939	2.4
67.05494	70.0
68.05827	1.8
69.03413	4.9
69.07058	16.3
69.51393	8.0
71.04971	5.2
71.07373	2.1
78.38946	0.9
79.05480	46.1
80.05824	1.9
80.32949	0.8
81.03406	87.7
81.07044	72.2
82.03716	1.3
82.07372	2.2
83.04970	7.4
83.08605	22.0
85.02904	4.1
85.06541	3.5
86.09692	24.3
86.10211	1.2
91.05465	42.1
93.07031	59.0
94.07374	1.3
95.04948	30.5
95.08590	49.1
96.08980	1.5
97.02876	4.2
97.06520	6.6
97.10152	9.2
98.98466	1.3
99.04486	1.1
99.08060	2.0
104.10729	1.4
105.04533	1.1
105.07013	29.7
107.04962	8.1
107.08579	32.6
107.09282	2.1
108.08915	1.2
109.06509	5.6
109.10140	23.9
111.04385	1.7
111.08063	8.7
113.09616	1.3
115.05434	1.9
117.07019	7.5
119.04926	1.3
119.08563	29.4
119.46026	0.9
120.08903	1.2
121.06510	5.4
121.07262	0.8
121.10126	25.5
123.04420	1.6
123.08043	4.7
123.11704	6.2
124.99989	17.5
125.09632	5.3
126.30563	0.9
129.06975	12.4
131.08553	21.2
131.09502	1.9
133.06480	3.1
133.10117	20.8
135.08069	3.2
135.11679	14.7
137.09631	3.7
137.13252	1.2
139.11111	1.8
141.06953	1.4
142.07799	2.0
143.08563	4.7
145.06470	1.1
145.10103	13.8
147.08057	5.0
147.11668	18.1
149.09604	6.2
149.13219	8.4
151.11201	2.7
153.12740	1.0
154.90500	0.9
155.08539	1.8
157.10117	14.4
159.11659	7.5
161.13248	6.9
163.11162	3.8
163.14795	4.3
165.12772	3.1
169.10124	2.5
171.11711	2.5
173.13246	6.0
175.11148	8.8
175.14836	3.5
177.12735	2.1
177.16357	1.2
179.14160	1.2
181.10159	1.9
183.11737	1.4
184.07323	84.2
185.07744	2.1
185.13213	2.4
187.14745	4.9
189.11182	3.1
193.12218	22.7
194.12643	1.2
195.13751	1.6
197.13319	1.6
199.14853	1.4
201.16333	2.2
211.13194	2.2
223.16820	1.2
227.12747	7.2
229.14258	2.3
243.21100	4.9
246.10843	1.0
249.14786	1.9
249.18506	2.4
259.20483	2.2
261.22131	14.7
262.22342	1.3
267.15878	100.0
268.16238	4.3
269.17511	1.4
279.23013	1.1
285.16940	6.3
287.41763	1.0
299.23587	1.7
301.25070	4.5
309.17023	2.5
315.23102	1.5
317.24786	2.2
319.15262	1.0
324.85263	1.2
333.24149	2.0
335.25748	76.4
336.26144	5.2
336.49527	1.1
346.84225	1.2
361.27545	1.0
417.26254	1.2
417.31418	2.8
421.25876	2.0
435.27310	2.0
435.32544	7.1
449.29169	1.5
453.33582	9.0
471.34805	7.8
489.36008	1.5
501.35858	1.2
509.36380	1.6
527.37262	64.5
528.37903	4.6
545.38275	65.5
546.38647	6.1
563.39209	7.3
569.38232	2.9
635.38599	1.5
710.43976	6.1
760.41962	1.7
761.40137	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	760.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.1
54.50972	0.6
55.01863	5.4
55.05506	10.9
57.03426	4.4
57.07056	1.2
57.33221	0.5
59.05002	0.6
60.07918	0.5
60.08155	6.4
61.02911	1.5
62.28205	0.6
65.03919	1.3
67.05496	37.0
69.03423	4.8
69.06726	1.1
69.07063	15.7
70.88616	1.1
70.88982	1.4
71.04987	3.5
71.07356	2.7
71.87559	0.6
73.02911	0.8
77.03869	0.7
79.05482	21.5
80.05756	0.6
81.03403	6.0
81.07046	37.2
83.04967	6.6
83.08615	6.1
85.02904	3.7
85.06512	4.4
86.09692	31.2
86.10233	1.4
90.40289	0.5
91.05466	30.2
92.05768	0.7
93.07028	23.0
95.04958	6.3
95.08589	11.5
97.02860	2.9
97.06521	7.0
97.10171	4.0
98.98444	3.0
99.04465	2.9
99.08089	1.3
101.05959	0.8
103.05496	0.8
104.10707	1.4
105.07017	28.9
106.07345	0.6
107.04936	4.5
107.08577	29.0
109.02847	1.0
109.06506	5.6
109.10139	39.5
110.10477	0.7
111.04437	0.8
111.08066	2.1
113.05975	2.3
117.07018	6.1
119.08567	10.9
121.06510	1.9
121.10137	4.9
123.08045	2.3
123.11700	7.2
124.99991	19.2
125.09629	3.7
127.03858	2.0
127.07528	2.1
129.06979	2.0
131.08549	6.9
133.10114	49.9
134.10428	1.6
135.08011	1.9
135.11697	4.9
137.09604	1.5
143.08539	2.6
145.10112	7.2
147.11667	3.6
149.09599	5.1
149.13258	2.8
151.11157	22.6
155.08469	0.6
157.10071	2.0
159.11674	5.3
161.09619	2.1
161.13249	1.7
163.11127	3.2
169.10052	1.0
169.12262	4.4
171.11624	1.7
173.04485	1.0
173.11821	0.7
173.13258	1.8
175.11157	0.9
177.12746	1.2
179.10493	0.6
179.14339	0.8
183.11609	1.0
184.07317	100.0
185.07661	3.0
186.07713	1.2
189.11176	2.2
193.12239	0.9
195.13696	0.9
201.12752	0.9
215.12712	2.5
221.31215	0.7
227.12753	3.9
239.17955	1.6
247.20587	0.8
253.14320	90.8
254.14699	2.9
255.15918	1.8
257.18979	3.9
269.17380	5.1
271.15381	25.1
275.20032	16.6
291.19519	1.1
293.21054	1.7
328.09525	0.6
331.22583	0.7
349.23740	11.9
350.24216	0.7
367.24930	1.1
413.21631	1.1
423.23767	3.0
425.25504	1.1
431.27759	0.6
441.24542	1.2
447.27292	1.1
451.26758	8.8
452.27292	0.7
465.28436	27.1
466.28824	1.7
477.28299	0.7
519.32910	0.8
527.33624	2.4
545.34674	29.8
546.34918	2.2
563.35553	5.6
571.47156	2.9
609.32581	1.4
742.43146	5.0
760.43073	1.8
760.97614	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01861	5.6
55.05257	0.5
55.05500	8.4
56.05023	0.7
57.03174	0.6
57.03427	7.1
57.07051	1.0
58.06586	0.6
60.08150	6.6
61.02895	1.7
65.03916	1.6
67.05491	35.4
68.05789	0.6
69.03405	2.0
69.07053	18.8
69.44500	3.5
70.07394	0.4
71.01324	1.5
71.04978	3.1
71.07349	2.6
71.08640	0.5
73.02916	0.5
76.51271	0.4
79.05476	23.2
81.03401	4.5
81.07038	20.3
82.07378	0.8
83.04970	5.4
83.08604	4.7
85.02891	2.7
85.06510	1.7
86.09687	28.5
87.10058	0.8
90.43642	0.4
91.03931	0.5
91.05462	17.9
92.05779	0.5
93.07024	26.7
95.04943	5.8
95.08586	14.1
96.08965	0.4
97.02866	1.2
97.06514	10.0
97.10152	4.9
98.98435	2.3
99.04435	0.9
99.08060	1.1
104.10703	1.6
105.07007	10.2
106.07308	0.7
107.04944	4.1
107.08575	15.3
109.06486	2.1
109.10130	10.7
109.10670	0.2
111.04422	0.5
111.08040	2.5
113.03702	0.5
113.09650	0.8
117.06996	5.7
119.08553	9.9
120.08857	0.5
121.06471	1.8
121.10118	6.2
123.08023	1.8
123.11666	1.2
124.99978	17.5
125.09589	2.2
127.03918	1.0
128.06136	0.5
129.05457	1.0
129.06972	1.5
131.08569	5.2
133.06467	0.4
133.10114	7.4
135.08047	2.4
135.11659	20.0
136.12025	0.4
137.08617	0.7
137.09583	6.7
141.06937	0.9
143.08517	1.6
145.06444	0.5
145.10085	7.5
146.10481	0.4
147.08005	0.9
147.11662	4.3
149.09578	7.3
149.13197	1.6
151.11142	1.4
153.12672	0.8
155.08499	1.2
155.10645	1.0
157.10081	1.9
159.11694	3.8
160.12021	0.5
161.09569	0.5
161.13264	2.5
163.11140	6.8
163.14757	0.5
169.10066	1.1
171.10289	0.5
171.11658	1.7
173.11699	3.2
173.13210	1.7
175.11092	0.7
177.12788	1.2
179.14241	1.6
181.12177	5.1
183.11639	0.9
184.07300	100.0
185.07617	2.9
185.13246	0.5
186.07791	1.2
187.13260	0.8
189.11156	0.9
189.12701	0.8
193.12248	0.7
195.13736	0.5
199.13229	1.3
205.12180	0.6
223.13196	0.9
227.12708	1.2
229.14275	2.2
229.19279	0.9
233.15271	0.5
239.17961	0.8
247.20581	1.0
253.14311	0.6
255.15848	21.7
256.16187	0.5
257.18961	2.7
259.20404	0.6
269.17383	1.2
270.17694	0.5
273.18506	0.8
275.19992	11.8
276.20361	0.7
291.19473	2.6
293.21127	0.7
315.19196	0.6
331.22491	0.8
349.23645	11.4
351.21451	2.9
365.22958	1.3
409.25757	11.8
423.27252	1.2
425.25107	0.6
433.29343	2.7
449.28894	1.0
477.27686	0.6
501.35498	0.9
511.34064	0.8
527.36554	0.4
529.35156	23.2
530.35248	1.2
543.36102	0.4
545.36890	1.7
547.36401	2.3
563.36133	0.8
571.47382	2.5
632.06378	0.5
672.34692	1.9
726.43250	2.8
742.43964	0.8
760.43170	1.5
761.40662	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	760.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
55.05500	0.6
56.05028	0.6
57.03426	0.2
58.06616	0.6
59.07375	0.2
60.08155	5.8
60.93087	0.1
61.37217	0.1
64.25308	0.1
67.05490	1.3
67.43633	0.1
69.03395	0.1
69.07051	0.7
70.06596	0.1
71.04992	0.2
71.07362	2.7
71.08620	0.1
71.63226	0.2
79.05479	0.8
81.03403	0.4
81.07038	1.3
83.04964	0.3
83.08601	0.3
85.02895	0.2
85.06541	0.1
86.09692	29.3
87.10027	0.5
91.05457	1.0
93.07040	0.9
94.49561	0.1
95.04961	0.4
95.08588	0.6
97.06519	0.2
97.10159	0.3
98.98447	2.5
99.04465	0.2
104.10726	2.6
105.07025	0.9
107.04906	0.1
107.08575	0.8
109.06469	0.2
109.10141	0.8
117.07044	0.2
119.08575	0.8
121.06477	0.2
121.10142	0.3
123.11667	0.2
124.99984	18.2
125.09608	0.3
126.00334	0.1
128.23376	0.1
129.06967	0.1
131.08542	0.3
133.10104	1.3
135.11661	0.3
143.01006	0.3
143.66837	0.1
145.10164	0.2
147.11642	0.3
149.09618	0.2
151.11209	0.4
153.09039	0.1
157.10052	0.2
159.11676	0.2
161.13200	0.1
166.02623	0.1
173.69095	0.1
184.07312	100.0
185.07690	1.5
186.07791	0.2
211.13286	0.1
227.12617	0.2
227.98212	0.1
229.14188	0.1
245.21356	0.1
253.14346	1.3
255.15921	0.2
257.18817	0.1
271.15350	0.7
275.19940	0.4
285.16742	0.1
349.23636	0.2
451.26907	0.2
465.28201	0.5
468.23718	0.1
545.34601	0.7
563.36060	0.1
571.46948	0.5
674.36481	1.7
675.36914	0.2
714.38336	0.1
726.43201	1.5
727.42487	0.2
742.42725	1.2
760.43719	1.9
761.41870	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.1
55.05498	0.2
56.05018	0.7
57.03404	0.2
58.06614	0.5
59.07367	0.2
60.08153	5.8
67.05478	0.4
69.07059	0.2
70.06573	0.2
70.56704	0.3
71.06965	0.2
71.07359	3.2
79.03969	0.1
79.05475	0.3
81.03394	0.3
81.07030	0.4
85.02872	0.1
86.09690	31.1
87.10021	0.3
91.05457	0.3
93.07027	0.2
95.04959	0.2
95.08620	0.2
97.06501	0.2
98.98448	3.0
104.10725	3.5
105.07003	0.2
106.80463	0.1
107.08578	0.2
109.06497	0.1
109.10151	0.1
116.99464	0.1
117.06996	0.1
119.08535	0.2
124.99981	19.0
131.08548	0.2
133.10147	0.2
143.01018	0.3
147.11668	0.1
163.11058	0.1
173.47104	0.1
184.07307	100.0
185.07629	0.9
211.13191	0.2
233.15872	0.1
267.15787	0.1
297.84320	0.1
335.53357	0.1
468.23755	0.1
545.34247	0.2
571.46899	0.1
592.57166	0.1
648.35486	0.1
662.36639	1.1
724.41705	0.1
742.42761	2.8
743.42871	0.2
760.43835	5.4
761.43616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.1
55.05498	0.4
55.05769	0.1
56.05023	0.6
57.03420	0.2
58.06615	0.4
59.07375	0.1
60.08151	6.2
60.29918	0.1
61.61993	0.1
66.06946	0.1
67.05490	0.9
69.07049	0.4
70.06579	0.2
70.09624	0.4
71.04972	0.2
71.07358	3.1
72.08134	0.1
74.46091	0.1
78.85992	0.1
79.05477	0.8
81.03392	0.2
81.07050	1.0
83.04959	0.2
83.08604	0.2
85.02888	0.2
85.06529	0.1
86.09687	28.8
87.10020	0.4
91.05459	0.7
93.07019	0.6
95.04960	0.3
95.08589	0.5
97.06537	0.1
98.98441	2.6
104.10722	2.3
105.06999	0.8
107.04934	0.2
107.08566	0.6
109.10144	0.6
116.61749	0.1
117.06969	0.1
119.08561	0.4
121.06504	0.1
121.10125	0.2
122.64075	0.1
123.08070	0.1
124.99976	18.7
131.08531	0.2
133.10097	0.8
135.07973	0.1
135.11671	0.2
143.01025	0.3
143.08537	0.1
145.10086	0.1
147.11674	0.2
149.13283	0.1
149.45511	0.1
151.11148	0.4
157.10062	0.1
166.02594	0.1
169.12274	0.1
171.11722	0.1
184.07300	100.0
185.07651	0.9
227.12700	0.1
253.14311	1.0
255.15941	0.1
269.17181	0.1
271.15381	0.5
275.20004	0.3
291.19443	0.1
349.23438	0.1
451.26871	0.1
465.28372	0.5
545.34424	0.4
571.47253	0.4
660.34985	0.2
674.26190	0.1
674.36530	1.8
675.36792	0.1
724.41455	0.1
726.43060	1.4
727.43066	0.1
742.30011	0.2
742.42450	1.3
743.42438	0.2
760.43896	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01871	1.3
55.05503	15.5
57.03431	7.6
57.07059	2.3
59.04980	1.8
60.08152	0.8
61.02917	3.8
65.03938	2.6
67.05495	77.0
68.05822	0.9
69.03416	2.1
69.07056	13.2
69.71948	0.5
69.72269	3.9
71.04983	21.6
73.06554	0.5
79.05481	37.9
81.03419	1.4
81.07045	100.0
82.07379	1.1
83.04975	4.5
83.08607	11.4
83.18243	0.5
85.02890	3.8
85.06531	10.0
86.09701	1.9
87.04451	0.9
91.03940	1.2
91.05464	28.0
92.05798	0.7
93.07029	40.6
94.07341	0.9
95.04945	3.9
95.08593	30.0
97.02879	1.9
97.06522	4.9
97.10161	3.1
99.04414	0.9
99.08118	0.7
105.07020	16.9
107.08581	25.2
109.06508	2.3
109.10141	17.6
110.10638	0.5
111.08092	2.1
117.07015	5.8
119.08567	10.2
121.10129	19.8
122.29710	0.5
123.08064	1.6
123.11693	15.5
125.00014	1.1
125.09639	1.5
129.07036	0.6
131.08551	9.5
133.10112	20.5
135.11670	10.9
137.09554	0.9
139.11316	0.7
143.08600	0.9
145.10112	4.4
147.11662	4.8
149.09583	1.1
149.13239	7.8
151.11143	6.4
153.12738	1.1
159.11676	6.8
161.13234	4.1
163.14809	1.3
169.12228	1.6
173.11940	0.5
173.13242	2.7
175.14838	1.0
177.12767	1.7
179.14517	0.5
183.12238	0.6
183.13748	3.0
184.07330	7.0
185.07631	0.6
185.13206	0.5
187.13313	3.9
187.14810	1.5
195.13834	1.7
197.13284	0.7
199.14767	0.6
201.14842	0.7
211.13281	0.6
227.16318	2.1
243.15746	0.7
243.21298	1.0
253.17897	0.7
257.17484	2.0
259.20685	0.6
261.22113	2.2
269.17444	6.3
285.16998	0.6
301.20038	19.2
317.24625	0.6
335.25745	29.8
336.26239	1.1
379.82230	0.5
393.31329	0.9
411.32294	0.8
437.34070	0.6
455.35233	0.7
465.35669	4.5
466.36679	0.6
485.36328	3.0
503.37247	92.9
504.37732	5.6
511.37677	0.7
517.38739	4.1
529.38855	15.6
530.39240	1.0
547.39972	0.8
561.41431	97.2
562.41730	6.8
569.40228	1.3
586.45453	1.2
633.79089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.8
55.01863	9.3
55.05257	1.8
55.05502	25.3
57.03424	18.4
57.07051	3.4
59.04961	1.3
60.08142	3.1
61.02903	4.2
65.03912	3.7
67.05492	88.7
69.03404	6.6
69.07053	38.3
69.58325	7.3
69.58749	2.4
71.01338	1.5
71.04977	7.8
73.02879	1.2
79.05479	64.1
81.03403	17.0
81.07040	100.0
83.04965	15.6
83.08597	21.7
85.02888	8.8
85.06541	6.0
86.09193	1.6
86.09695	14.3
87.04425	1.1
91.05461	46.0
93.07029	84.8
94.07352	1.6
95.04952	13.9
95.08588	41.3
97.02861	4.9
97.06506	23.8
97.10126	8.5
98.20731	1.7
99.04430	1.9
99.08079	5.2
104.10692	1.4
105.07011	32.0
107.04942	8.5
107.08576	50.7
109.02844	1.9
109.06506	7.9
109.10136	12.5
111.04427	1.3
111.08061	10.1
111.11683	1.8
113.09618	2.1
115.05416	1.3
117.07001	20.2
119.04908	1.3
119.08555	23.2
121.06474	6.8
121.10120	32.0
123.08031	3.5
123.11737	6.2
124.99982	9.3
125.09644	6.0
127.03900	2.9
127.53001	1.1
129.05455	1.8
129.06978	7.4
130.07805	1.2
131.08548	24.5
133.06488	2.4
133.10104	30.7
135.08022	4.7
135.11673	21.1
137.09586	2.3
139.11214	1.7
141.06900	1.5
142.07689	1.1
143.08557	4.1
145.06483	1.5
145.10098	15.3
147.08018	1.4
147.11667	15.6
149.09584	14.4
149.13242	31.5
151.11137	4.1
155.08562	1.5
157.10101	7.4
159.11671	23.3
161.09644	1.3
161.13228	7.5
163.11134	8.9
165.12778	1.5
169.10086	4.4
171.11649	4.7
173.04448	2.5
173.11795	1.5
173.13174	6.2
175.11142	4.2
175.14841	1.9
177.12747	6.6
179.14299	1.9
183.11644	1.9
184.07315	39.9
185.13289	2.9
189.11172	3.7
193.12166	4.6
195.13742	13.7
197.13252	2.3
211.13199	5.7
227.12711	13.5
229.19530	1.6
239.17963	3.5
241.19359	1.6
247.20578	2.8
251.16409	2.6
255.15779	5.7
257.18927	10.0
259.20471	7.9
267.15811	5.7
269.17429	91.7
270.17633	1.8
275.20016	30.4
283.15338	1.2
285.16867	8.0
291.19238	1.3
293.21066	2.2
331.22382	2.3
333.24136	9.0
349.19711	2.2
349.23697	28.1
349.27982	1.4
350.23969	1.9
365.23080	1.8
367.24802	1.6
423.27237	2.8
433.31491	1.3
439.26608	4.2
445.29443	1.4
447.30988	2.3
449.23285	1.5
449.28845	25.8
450.29044	1.5
451.31659	1.9
463.30472	96.2
464.31003	5.8
469.33020	2.0
487.30118	1.3
503.33270	2.6
515.36932	2.2
525.35724	4.5
543.36725	60.3
544.37268	2.8
545.37378	1.3
561.37872	14.3
607.34326	3.3
662.17157	1.5
675.73547	1.3
705.42383	1.5
740.44525	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	758.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.8
55.01859	4.5
55.05260	1.9
55.05505	25.5
55.24385	1.6
57.03424	19.0
57.07066	3.2
60.08154	4.5
61.02912	5.4
65.03923	3.5
67.05496	63.9
69.03413	6.7
69.06710	2.0
69.07056	22.0
71.04974	6.1
71.07365	2.0
79.05484	63.1
81.02913	1.7
81.03408	55.2
81.07047	71.9
83.04966	18.2
83.08598	27.3
85.02893	24.5
85.06519	5.4
86.09689	25.9
91.03922	2.9
91.05465	79.1
93.07030	69.8
95.04951	35.3
95.08592	32.8
97.02869	5.0
97.06516	10.0
97.10153	5.7
98.21530	3.7
98.98473	1.7
99.08062	2.4
105.07018	78.5
107.04942	8.4
107.08578	35.5
109.06511	8.4
109.10131	14.1
111.08068	10.9
113.05981	2.7
115.05430	3.3
117.06995	16.6
119.08566	63.3
121.06499	3.8
121.10127	33.3
123.08063	5.0
123.11691	4.9
125.00004	14.9
125.09598	5.7
129.06999	21.1
131.08554	35.3
133.06505	3.3
133.10115	52.1
135.07999	2.6
135.11668	16.8
137.09607	4.1
138.19664	1.6
141.06918	2.7
142.07758	5.9
143.08534	11.6
145.10106	25.4
147.08055	3.6
147.11670	48.3
149.09558	8.3
149.13243	10.7
155.08598	2.6
157.10110	23.1
159.11656	18.3
161.13220	17.0
163.11163	4.4
163.14789	3.5
165.12704	2.9
169.10132	4.7
171.10327	2.3
171.11670	11.4
173.13202	11.5
175.11174	15.3
175.14798	11.8
177.12730	2.0
183.11647	4.6
184.07320	79.4
185.13225	10.3
187.14864	2.0
189.11194	2.6
189.12756	1.8
193.12206	40.8
197.13293	1.9
199.14790	6.2
211.13246	61.1
211.15234	3.2
227.12750	4.7
229.14397	2.8
231.21048	4.2
241.19490	24.2
257.18903	3.0
259.20535	63.3
260.20810	3.3
267.15863	19.6
269.17496	7.6
275.20068	5.6
283.15280	3.7
285.16937	68.6
297.22046	2.0
299.23605	2.6
301.21671	2.1
315.23093	4.9
321.22339	1.8
333.24191	56.4
333.28156	2.8
349.23849	2.7
397.35818	1.6
423.32266	2.3
433.30984	9.6
435.27075	1.8
439.26767	3.5
451.32016	8.5
469.33148	6.4
507.34668	3.0
515.37030	5.2
525.35687	33.4
543.36755	100.0
544.36743	5.3
561.37854	5.1
596.35663	3.0
669.40430	1.8
758.46362	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	758.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01855	3.9
55.05504	22.2
57.03430	17.8
57.07049	3.4
59.04953	1.5
60.08144	3.4
60.56756	1.2
61.02914	2.9
65.03918	4.2
67.05496	52.2
69.03404	4.9
69.07050	16.6
71.04976	5.6
71.07349	2.8
71.98987	1.1
77.03887	1.0
79.05483	59.1
81.03408	44.8
81.07045	55.1
83.04976	15.1
83.08146	1.2
83.08609	22.1
85.02431	1.1
85.02901	18.8
85.06526	3.0
86.09695	21.2
87.42672	1.0
87.86084	1.1
91.05470	80.6
93.07031	58.3
95.04959	24.4
95.08596	33.3
97.02876	4.4
97.06528	6.4
97.10150	6.3
98.20722	3.2
98.98484	1.4
99.08054	3.2
103.05434	1.6
105.07016	76.9
107.04935	7.8
107.08585	34.5
109.06506	8.6
109.10148	14.2
111.04459	1.6
111.08073	9.8
111.11749	1.4
113.05992	1.5
115.05450	3.8
117.07009	19.7
119.08566	57.9
120.08897	1.3
121.06496	3.6
121.10129	27.7
123.08041	4.2
123.11681	6.2
124.99986	13.2
125.09624	3.2
128.06198	3.2
129.05482	2.0
129.06990	19.9
131.08553	35.0
133.06464	2.6
133.10112	52.9
134.10435	1.4
135.08032	3.0
135.11681	17.7
136.12025	1.2
137.09583	1.9
141.06987	2.5
142.07741	3.5
143.08546	12.5
145.10109	23.1
147.08044	3.7
147.11661	47.8
148.11942	1.5
149.09599	8.0
149.13237	9.1
151.11191	1.7
155.08549	3.0
157.10130	20.7
159.11671	17.5
161.13234	23.4
163.11145	4.9
163.14816	2.3
165.12695	3.6
169.10139	2.4
171.11676	11.1
173.13220	11.2
175.11159	11.8
175.14775	9.0
177.12643	1.3
181.10063	2.3
181.12053	1.2
183.11644	2.8
184.07318	67.9
185.07654	1.4
185.13240	8.6
187.11186	1.2
187.14772	2.9
189.11125	2.0
189.12666	1.3
191.10707	1.5
193.12230	36.0
197.13229	3.3
199.14795	7.4
201.12813	1.2
209.13335	1.9
211.13255	40.2
211.15242	2.5
213.16394	2.4
223.14766	1.8
227.12752	2.4
229.14310	2.0
231.17325	1.3
231.20995	6.5
239.17973	1.5
241.19498	24.2
253.14240	1.4
259.20544	82.1
261.18375	1.5
261.22305	1.6
265.14178	1.4
267.15912	19.1
269.17416	2.6
275.20062	2.4
277.21716	2.8
283.15326	4.1
285.16913	52.2
289.21390	1.3
291.19513	1.3
297.01093	1.3
297.21884	1.4
299.23621	2.2
315.23163	7.3
323.23358	1.4
333.24210	62.8
335.25623	1.8
389.26895	1.7
415.29715	3.1
433.30939	9.1
435.27267	2.2
451.32040	11.5
469.32874	3.9
507.34378	3.9
515.37390	5.7
525.35699	37.2
526.35767	1.9
543.36780	100.0
544.36981	3.3
561.37189	4.3
596.34674	1.8
640.27216	1.2
650.09308	1.3
651.39478	1.3
736.28931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01865	13.2
55.05503	22.3
57.03409	1.9
57.07064	5.0
60.08145	3.7
65.32033	1.6
67.05499	18.3
69.03400	2.6
69.06708	2.7
69.07056	29.3
69.48704	1.5
71.07365	2.0
71.08617	3.4
72.30412	1.5
79.05473	17.0
81.07040	24.8
82.33503	1.3
83.04952	3.8
83.08601	17.5
84.01444	1.4
85.06545	1.8
86.09688	20.7
87.10037	2.0
91.05462	16.3
93.07030	16.6
95.01318	3.3
95.04951	4.1
95.08582	16.4
97.06514	14.4
97.10158	8.4
98.98460	4.2
104.10757	1.9
105.07014	18.1
107.04949	5.7
107.08586	8.9
109.06495	3.0
109.10141	4.6
111.08031	1.6
117.07002	4.7
119.08559	11.7
121.10127	5.0
124.99985	14.1
125.09615	2.0
131.08557	6.8
133.10068	10.3
135.07965	1.7
135.11655	5.2
145.10114	5.9
147.11681	4.2
149.09624	3.8
157.10184	2.5
159.11667	1.8
161.13203	2.2
163.11148	3.2
164.88843	1.5
179.14264	3.0
184.07307	61.9
185.07698	6.1
219.17430	1.9
237.22072	2.9
275.20032	12.5
300.76013	1.5
308.29306	1.6
311.25760	4.4
544.91711	1.9
585.45038	100.0
586.45294	8.0
616.36578	1.8
621.09308	1.5
757.56018	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01856	1.3
55.05502	2.0
57.03432	1.5
60.08157	0.7
61.02919	3.6
67.05157	0.5
67.05491	6.3
69.03423	2.7
69.07052	3.5
69.57040	2.2
71.01356	0.4
71.04980	0.7
71.07372	0.4
71.29794	0.3
73.02906	2.6
79.05480	7.0
81.03394	3.0
81.07043	6.1
83.04952	1.7
83.08601	1.2
85.02890	3.8
86.09686	3.7
87.10024	0.3
91.03946	1.9
91.05457	6.1
92.05795	0.3
93.07028	6.5
94.07352	0.4
95.01311	0.6
95.04955	1.6
95.08592	4.4
97.02871	3.1
97.06538	1.2
97.10178	0.6
98.21500	0.5
98.98463	0.4
99.04444	0.9
101.02380	1.4
105.07014	5.9
106.07388	0.3
107.04932	1.6
107.08559	3.4
109.02871	0.7
109.06519	1.2
109.10139	1.6
111.04429	0.3
117.07013	1.5
119.08558	3.6
121.06480	0.4
121.10139	1.2
123.08076	0.7
125.00008	2.4
127.03902	0.7
129.06984	1.5
131.08507	1.6
133.10121	3.2
135.08086	0.5
135.11696	1.2
139.04401	0.3
143.08543	0.6
145.04909	0.3
145.10092	2.2
147.11659	2.9
149.09648	1.0
149.13222	0.4
151.07674	0.3
151.11121	0.3
157.10117	0.4
159.11670	0.7
161.09557	0.5
161.13266	1.2
163.07443	0.3
163.11179	0.8
171.11647	1.5
172.34772	0.3
173.13229	0.3
179.14331	1.0
184.07315	10.7
185.04263	0.4
185.07643	0.8
187.11021	0.3
189.12697	0.5
203.05278	0.7
207.13885	0.4
243.08362	2.4
247.13089	1.1
261.22235	0.3
269.17590	0.3
275.20120	0.9
281.17337	0.3
283.15405	0.4
285.18317	0.4
299.14954	0.4
300.15271	0.3
301.16437	0.4
303.15756	0.5
315.19333	4.0
335.25848	1.1
349.24033	0.3
371.21744	1.4
465.20905	10.6
472.98752	0.3
521.83118	0.3
533.27130	8.4
534.27844	0.3
543.36499	0.5
560.37225	0.4
561.37683	0.4
595.36365	0.3
757.41187	100.0
758.41632	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	757.2169
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03927	0.2
55.01857	0.2
55.05502	0.2
57.03429	0.6
59.04975	0.1
61.02913	0.8
65.03926	0.1
67.01862	0.1
67.79555	0.1
68.99758	0.3
69.03416	1.7
70.74622	0.1
70.75027	0.1
71.01337	0.1
71.04980	1.1
72.77595	0.1
73.02902	0.3
75.04466	0.2
79.05476	0.1
81.03403	0.9
81.07043	0.0
83.04967	1.5
85.02888	7.5
86.03182	0.1
87.04453	0.2
91.03939	0.2
91.05450	0.1
95.04935	0.2
95.82023	0.1
97.02868	1.8
99.04440	0.3
105.03387	0.2
105.07064	0.1
107.04931	0.3
107.08590	0.1
109.02870	0.6
109.10110	0.1
111.00788	0.5
111.04424	1.0
115.05478	0.1
119.04831	0.1
121.02837	1.8
121.06435	0.1
121.10096	0.1
123.04411	0.1
123.11655	0.1
125.05908	0.1
127.03889	1.5
129.05457	1.9
129.06912	0.1
133.02805	0.4
135.04399	0.1
137.02324	0.5
137.05902	0.1
139.03839	0.1
145.04944	1.3
145.06425	0.2
147.04370	0.4
147.06485	0.5
147.11682	0.1
151.03922	0.1
151.07446	0.1
153.01799	2.5
157.06467	0.2
161.02353	0.1
161.05925	0.1
163.03929	0.1
163.06114	0.1
165.01810	1.2
167.06949	0.1
171.02969	0.1
171.04390	0.2
173.04523	0.1
177.05409	0.1
180.38736	0.1
183.02884	0.7
185.05908	0.2
189.05382	0.1
191.03281	0.1
191.14140	0.1
194.02176	0.1
197.05942	0.1
203.03323	0.1
203.06940	0.1
207.13757	0.1
210.41304	0.1
213.05453	0.9
229.04921	0.1
231.06482	0.6
237.07526	0.2
241.04901	0.7
255.08397	0.3
258.05167	0.8
259.05954	0.4
263.05484	0.1
269.04391	0.2
270.04663	0.1
273.09695	0.1
286.04474	0.1
287.05435	100.0
288.05771	1.7
298.57440	0.1
303.04926	1.3
329.06387	0.1
333.16846	0.1
351.17941	0.2
369.18909	0.1
405.18683	0.1
431.09641	0.1
433.11230	5.4
434.11502	0.2
449.11047	0.3
465.09662	0.1
479.69281	0.1
595.16437	0.4
716.44775	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.1
55.05498	2.8
55.12888	0.2
56.05011	0.6
57.03419	0.2
57.07042	0.9
58.06600	0.6
59.07356	0.3
60.07875	0.3
60.08152	5.4
63.17064	0.2
64.25331	0.2
67.05492	2.7
69.07053	2.5
69.44298	1.7
69.44724	0.8
71.07359	2.7
71.08594	0.6
78.34540	0.2
79.05479	2.5
81.07034	2.4
83.04947	0.3
83.08607	1.8
85.06508	0.3
85.10157	0.5
86.09689	27.8
87.10024	0.3
91.05466	2.0
93.07028	1.7
95.04907	0.5
95.08574	1.7
97.06493	0.7
97.10146	1.0
98.98441	3.0
104.10719	1.5
105.07013	1.5
107.04925	0.8
107.08553	2.0
109.06487	0.3
109.10125	0.8
111.11684	0.4
117.06968	1.0
119.08545	1.2
121.10106	1.1
124.99982	18.1
131.08516	0.7
133.10124	0.5
134.65024	0.2
135.11658	0.5
137.79478	0.2
143.01031	0.4
143.08641	0.3
145.10086	0.7
147.11658	0.6
149.09552	0.8
149.13228	0.4
155.00975	0.4
159.11638	0.6
161.13315	0.3
163.11111	0.4
173.13254	0.4
177.12752	0.3
184.07304	100.0
185.07625	1.0
197.13177	0.3
210.56671	0.2
237.22154	0.4
257.19040	0.4
273.18335	0.3
275.20035	1.6
311.25800	0.9
311.72546	0.3
322.59122	0.3
584.43713	0.9
585.44995	12.4
597.48145	0.4
609.44531	0.5
736.88196	0.3
756.54694	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	756.552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.05033	0.5
57.03416	0.1
57.07051	0.2
58.06622	0.5
59.07372	0.2
60.08152	5.3
65.03915	0.1
67.05489	0.7
69.03419	0.1
69.07047	0.3
70.06565	0.1
71.04992	0.1
71.06965	0.2
71.07361	2.9
79.05492	0.6
81.07034	0.8
83.08606	0.2
86.09690	27.9
87.09993	0.2
91.05475	0.4
93.07037	0.6
95.04948	0.2
95.08588	0.4
97.10127	0.1
98.98438	2.3
104.10722	1.9
105.07006	0.4
107.08554	0.3
109.06455	0.1
109.10153	0.2
117.07003	0.2
119.08572	0.3
121.10152	0.3
123.11719	0.1
124.99981	17.9
126.00401	0.1
129.06953	0.1
131.08553	0.2
132.29172	0.1
133.06418	0.1
133.10095	0.3
135.11670	0.2
143.01036	0.3
143.08572	0.1
145.10143	0.2
147.11656	0.2
154.29103	0.1
159.11557	0.1
161.13246	0.1
166.02618	0.2
184.07306	100.0
185.07660	1.1
272.53375	0.1
283.15549	0.1
335.25867	0.2
336.26126	0.1
418.08371	0.1
496.02847	0.1
496.33640	0.1
559.40186	0.1
585.45044	0.6
756.55261	3.9
757.55542	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.2
55.05506	0.6
56.05026	0.7
57.03413	0.2
57.07058	0.3
58.06616	0.5
59.07365	0.1
60.08150	5.7
67.05482	0.7
69.07053	0.7
70.06573	0.1
71.07362	2.6
71.08591	0.2
79.05476	0.7
81.07044	0.8
83.08599	0.7
86.09687	27.7
87.10028	0.3
90.47532	0.1
91.05447	0.5
93.07021	0.7
95.04946	0.2
95.08607	0.5
97.06502	0.2
97.10138	0.4
98.98446	3.1
104.10715	1.8
105.07003	0.4
107.04906	0.2
107.08559	0.4
109.09419	0.1
109.10126	0.3
117.06989	0.2
119.08567	0.3
121.10131	0.3
124.99977	18.8
129.32573	0.1
131.08522	0.3
133.06458	0.1
133.10098	0.3
133.84018	0.1
143.01025	0.3
145.10115	0.2
147.08041	0.1
147.11581	0.1
149.13173	0.1
159.11714	0.2
165.31851	0.1
166.02637	0.2
179.14323	0.1
184.07301	100.0
185.07657	0.6
275.19919	0.6
290.89981	0.1
311.25922	0.2
349.23795	0.1
356.12070	0.1
496.34326	0.2
512.00018	0.1
584.43909	0.7
585.44965	2.9
638.68811	0.1
702.27734	0.1
756.55060	3.8
757.55713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
55.05500	0.5
56.05014	0.4
57.07061	0.3
58.06615	0.4
60.08154	5.6
67.05499	0.8
69.07053	0.6
71.04998	0.2
71.07365	2.9
71.08625	0.2
73.95564	0.2
79.05112	0.1
79.05476	0.9
80.97453	0.2
81.07034	1.1
83.04950	0.1
83.08612	0.5
86.09689	27.6
87.10000	0.2
91.05466	0.7
93.07023	1.0
95.04951	0.3
95.08617	0.8
97.10136	0.3
98.21492	0.4
98.98434	2.3
104.10717	1.9
105.07021	0.7
107.08582	0.7
109.10149	0.5
117.07004	0.2
119.08578	0.6
121.06501	0.1
121.10133	0.3
123.11768	0.2
124.99979	18.3
131.08565	0.3
133.08557	0.2
133.10121	0.4
135.11661	0.2
137.93787	0.2
141.07014	0.2
143.01140	0.2
147.11636	0.4
157.10188	0.2
159.11693	0.2
184.07306	100.0
185.07642	0.7
187.14731	0.2
246.96068	0.2
337.38144	0.2
393.36835	0.2
486.83157	0.2
496.34158	0.2
531.40320	0.3
565.48828	0.2
584.43469	0.4
585.44604	0.7
756.55334	3.7
757.55939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.5
53.03929	1.8
55.01865	3.4
55.05257	1.0
55.05502	14.0
57.03429	9.1
57.07047	1.6
59.04976	1.9
60.08157	3.5
61.02919	3.5
65.03909	1.1
66.00233	0.6
67.05496	35.8
67.88130	0.7
69.03410	1.9
69.07058	9.6
69.35207	3.9
69.35647	3.3
71.01340	0.7
71.04962	2.4
71.07356	2.3
71.08612	0.7
73.02908	1.4
76.35619	0.6
79.05480	25.1
81.03410	5.4
81.07045	40.6
82.13928	0.7
83.04949	2.9
83.08127	1.0
83.08608	12.3
85.02877	2.8
85.06512	2.1
86.09695	21.2
91.03939	1.7
91.05466	23.3
93.07029	30.8
94.07355	0.8
95.04945	5.8
95.08589	26.3
96.08900	0.8
97.02875	3.8
97.06509	3.3
97.10175	4.0
98.98449	1.7
99.00798	10.9
99.04447	0.8
102.46593	0.6
104.10709	0.8
105.04520	0.8
105.07013	19.3
107.04928	4.7
107.08579	19.5
109.02870	6.8
109.06492	3.1
109.09441	1.2
109.10147	15.5
111.04416	1.0
111.08068	3.8
115.03916	1.6
117.07012	5.9
119.08558	12.9
121.06494	6.0
121.10134	11.1
123.04386	1.2
123.08067	1.3
123.11694	5.4
124.99987	14.4
125.09610	1.5
127.03916	3.8
128.06221	1.7
129.06972	1.2
130.55188	0.7
131.08521	6.6
133.06496	1.6
133.10109	35.0
135.08060	1.7
135.11659	9.0
137.05968	1.5
137.09569	1.5
137.13214	1.2
139.07503	1.9
143.08521	4.4
145.10088	4.4
147.07973	1.4
147.11673	4.7
149.09639	0.9
149.13252	4.8
151.11157	9.5
151.14766	0.8
157.10110	0.9
159.11656	4.4
161.09601	15.1
161.13226	2.7
163.11111	1.2
163.14781	2.4
165.09029	0.8
169.12222	1.2
171.08064	3.4
171.11629	0.8
173.13254	3.7
175.14827	1.2
176.11768	0.9
177.16339	1.1
179.10652	7.4
184.07314	73.0
185.07640	1.2
187.14737	1.5
189.09096	8.2
189.10757	1.1
197.11690	1.9
207.10123	3.6
211.13219	1.3
225.11159	9.5
227.12688	1.2
233.22511	0.7
243.12299	3.6
243.21045	4.9
259.20480	1.3
261.22104	14.7
262.22473	0.9
267.15909	0.9
275.20294	0.9
281.13736	3.1
281.16827	0.8
285.17001	1.6
289.24097	0.8
299.14847	100.0
300.15115	2.8
301.16275	0.8
315.23218	2.3
317.24637	2.6
335.25754	80.5
336.25974	3.7
421.31058	1.4
449.30460	2.0
467.31363	4.1
485.32510	2.6
503.37726	0.7
513.35681	2.0
515.37085	1.5
531.36682	2.7
541.35229	7.7
542.35040	1.1
545.38031	2.1
559.36212	38.4
560.36218	3.8
577.37231	2.4
611.64044	0.9
756.54517	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.6
53.03938	4.7
55.01854	3.6
55.05259	1.4
55.05504	18.7
57.03425	13.8
57.07060	1.7
59.04979	1.8
59.25394	0.8
60.08151	5.7
61.02912	3.4
65.03931	2.6
67.05492	55.4
68.05813	1.3
69.03408	3.5
69.07056	14.1
71.01324	2.4
71.04980	3.1
71.07359	1.1
71.08591	1.2
73.02890	1.6
77.91702	0.9
79.05478	37.6
79.20372	0.9
81.03400	7.7
81.07041	59.4
83.04975	5.7
83.08602	17.8
85.02887	6.1
85.06513	2.6
86.09690	27.7
91.03932	1.6
91.05464	34.9
93.07025	45.6
94.07334	1.2
95.04942	9.1
95.08585	37.7
97.02867	5.1
97.06521	5.0
97.10150	3.6
98.98437	2.2
99.00786	9.4
99.08051	1.5
101.96722	0.9
103.05450	1.2
103.13353	1.0
104.10716	2.2
105.04533	1.5
105.07011	24.4
106.06212	0.8
107.04942	4.3
107.08574	26.3
109.02863	7.8
109.06484	4.7
109.09441	1.5
109.10140	20.3
111.04429	2.7
111.08046	3.8
113.05933	1.4
115.03899	2.3
117.06989	6.4
119.08566	17.9
121.06490	5.2
121.10133	14.7
123.04424	2.4
123.08056	2.8
123.11687	7.1
124.99974	16.4
125.09602	2.4
127.03893	2.0
128.06192	1.6
129.06982	2.0
130.07510	0.8
131.08519	11.1
131.23920	0.8
133.06445	1.7
133.10107	38.1
135.08026	2.4
135.11671	10.8
136.56723	0.9
137.09601	2.0
137.13170	0.9
139.03877	1.9
139.07507	2.2
143.08537	5.1
145.10114	7.9
147.07990	1.4
147.11682	8.1
149.09605	1.9
149.13223	7.1
151.11160	11.9
157.10121	2.1
159.11612	5.7
161.09602	11.3
161.13226	3.8
163.11122	2.4
163.14771	3.0
165.12712	1.7
171.08009	2.9
171.11697	1.4
173.13232	4.5
175.11121	1.7
175.14836	1.5
177.12741	1.1
179.10651	6.3
184.07310	89.2
185.07629	2.0
185.13284	1.6
187.14825	2.4
189.09070	5.5
191.14101	0.9
193.12231	4.2
197.11749	1.6
201.16331	1.4
207.10158	4.4
211.13263	4.9
213.55431	1.0
215.12729	1.1
225.11217	9.0
233.22562	0.9
241.19582	1.2
243.12207	3.2
243.21054	6.0
259.20670	1.4
261.22095	19.7
267.15793	2.6
275.20084	1.5
279.23355	0.9
281.13828	3.2
283.15573	1.1
285.16934	7.1
287.23611	1.4
295.72549	0.9
299.14832	83.7
300.15265	2.8
315.23111	2.6
317.24707	3.3
335.25739	100.0
336.26187	4.6
349.23621	2.2
439.31656	1.2
446.81436	1.0
449.30563	1.3
467.31232	2.8
479.29901	2.5
485.32623	1.8
513.35779	2.4
523.34467	1.1
526.22894	1.1
527.37183	2.5
531.36530	2.2
541.35034	9.7
542.35803	1.4
545.38391	7.1
559.36212	53.1
560.36237	4.9
577.37286	1.8
756.54437	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01861	11.5
55.05252	1.3
55.05500	15.7
57.03428	8.5
57.07033	0.9
59.04982	1.1
61.02901	1.1
61.90230	0.7
65.03928	1.8
65.25467	0.6
67.05494	30.9
69.03427	3.8
69.07059	23.1
71.04983	3.7
73.06533	0.8
77.03922	0.9
79.05479	30.9
81.03407	36.4
81.07045	48.4
82.07399	1.2
83.04972	10.8
83.08609	17.1
85.02892	15.6
85.06532	3.2
86.09688	2.4
91.05466	48.5
93.07030	29.4
95.01321	6.8
95.04954	18.7
95.08597	23.9
95.09219	0.9
97.02872	2.7
97.05892	1.4
97.06516	23.0
97.10175	4.2
99.04446	1.0
99.08067	1.2
103.05441	1.2
105.07014	66.8
106.07367	1.3
106.82333	0.6
107.04939	12.5
107.08586	13.4
109.02834	0.9
109.06509	4.9
109.10139	7.0
111.04427	1.9
111.08060	7.8
113.05992	2.0
115.05435	2.4
117.07006	9.7
117.55476	0.7
119.04957	1.4
119.08564	39.1
120.08896	0.8
121.06512	3.9
121.10125	11.3
123.04415	1.8
123.08063	5.8
123.11683	2.6
124.99967	1.8
125.05925	0.6
125.09621	1.4
127.03835	0.7
127.07495	0.7
128.06190	1.1
129.06984	9.2
131.07561	1.3
131.08551	22.1
133.06465	1.8
133.10114	38.6
135.08014	3.3
135.11659	5.4
137.09616	3.0
139.07538	1.5
141.06973	1.1
142.07793	1.9
143.08557	2.6
145.06485	2.2
145.10106	13.9
147.08038	2.7
147.10486	1.0
147.11661	19.6
149.09581	9.1
149.13211	2.9
151.11177	1.9
155.08542	1.6
157.10095	9.8
159.07993	0.8
159.11684	6.6
161.13211	4.4
163.11148	3.5
165.09103	1.8
165.12767	1.7
169.10109	2.1
169.32414	0.7
171.11708	2.1
173.13127	3.1
175.11147	9.0
175.14728	0.7
177.12730	2.8
179.14294	9.4
183.11652	1.3
184.07314	8.6
185.13272	1.0
187.11095	1.6
193.12209	19.8
197.13239	1.6
205.12158	0.9
211.13239	23.0
215.14459	0.8
227.12671	0.9
229.19540	1.5
239.17934	1.6
247.20709	1.9
249.14940	0.7
257.19000	4.1
259.20535	1.3
267.15863	31.4
268.16299	1.1
275.20020	58.8
276.20465	2.2
279.15872	3.0
283.15466	0.7
285.16922	64.6
286.17322	2.1
293.21011	3.4
349.23685	36.0
461.28925	2.6
475.30136	0.9
541.35187	70.7
542.35541	3.5
559.36224	100.0
560.36664	8.5
577.37323	2.6
703.40173	1.0
778.67834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01864	9.3
55.05501	13.8
57.03432	6.6
59.04969	0.6
61.02908	0.8
65.03921	1.7
67.05493	28.6
69.03405	1.8
69.07058	21.5
69.07446	0.9
69.48083	3.1
69.48511	1.1
71.04977	3.8
71.08630	0.6
73.06558	0.5
79.05480	26.2
80.05822	0.8
81.03403	24.1
81.07043	41.2
82.07385	1.0
83.04968	9.7
83.08603	11.4
85.02410	0.7
85.02896	9.3
85.06519	1.8
86.09695	2.5
89.06786	0.5
91.05466	46.3
92.05797	1.1
93.07030	25.6
95.01318	6.2
95.04954	14.7
95.08588	24.0
96.08914	0.7
97.02884	2.0
97.05895	1.0
97.06517	20.0
97.10165	3.4
97.24596	0.5
98.06801	0.5
98.20690	0.9
99.04469	0.8
99.08061	1.3
101.06025	0.5
103.05490	0.8
105.07014	62.0
106.07353	1.4
107.04936	13.2
107.08579	12.9
107.51242	0.6
109.06493	4.1
109.10127	5.7
111.04421	1.1
111.08060	4.3
113.06004	1.2
113.09653	0.7
115.05445	1.6
117.06990	9.9
119.08562	34.1
120.08933	0.4
121.06471	2.3
121.10120	7.7
123.04422	1.7
123.08028	3.6
123.11707	2.7
124.99979	1.1
125.05968	0.6
125.09604	2.8
128.06197	0.6
129.06989	5.5
131.07565	0.8
131.08553	18.2
133.06502	2.1
133.10109	35.9
134.10472	1.0
135.08040	2.7
135.11670	5.9
137.09631	2.4
139.07521	1.0
139.11238	0.6
139.12639	0.5
141.06978	1.3
142.07707	1.0
143.08517	2.5
145.06497	2.1
145.10107	11.0
147.08032	1.8
147.11665	15.0
149.09610	7.1
149.13228	2.6
151.11186	1.3
155.08546	1.3
157.10103	7.6
158.10555	0.5
159.08092	0.8
159.11668	8.2
161.09581	0.9
161.13225	3.4
163.11171	3.7
163.14804	0.6
165.09142	1.7
165.12761	1.3
169.10143	2.0
171.11685	2.2
173.09683	0.5
173.13205	2.4
175.11130	5.2
175.14806	0.5
177.12743	2.4
179.14294	9.7
183.11685	1.3
184.07304	5.8
187.11189	2.1
193.12209	11.3
197.13271	1.3
201.12746	0.8
205.12288	1.1
211.13246	12.4
213.16270	0.5
219.13850	0.5
219.17453	2.2
229.19505	0.5
239.17973	1.7
241.14365	0.8
247.20616	1.2
257.18939	4.8
267.15857	15.6
267.18509	1.0
269.17377	1.0
275.20010	55.6
276.20398	1.9
279.15829	2.2
285.16919	24.4
286.17068	0.7
293.21082	3.3
331.22754	0.5
349.23669	33.5
350.23984	0.9
442.06604	0.5
447.27716	0.5
461.29099	1.5
475.30447	0.8
479.29883	0.9
515.33221	0.6
541.35181	50.5
542.35358	3.9
559.36218	100.0
560.36664	6.6
573.85504	0.5
577.37311	1.6
703.40918	0.9
756.55701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.01869	4.5
55.05504	16.6
57.03431	7.7
57.07052	1.4
58.06591	0.7
59.04982	1.2
60.08157	5.8
61.02899	1.9
65.03931	1.6
65.54309	0.5
67.05495	46.2
68.05830	0.7
69.03423	6.1
69.07059	24.4
71.04983	4.4
71.07342	2.8
71.08628	1.0
71.62953	0.8
71.63319	0.8
73.02884	0.7
79.05484	33.9
81.03414	9.0
81.07047	56.2
82.07341	1.1
83.04977	7.8
83.08134	0.7
83.08612	12.2
85.02916	3.2
85.06547	3.3
86.09695	29.7
91.03928	1.0
91.05471	35.4
92.05784	0.8
93.07033	40.8
95.04966	10.5
95.08591	20.5
97.02882	7.5
97.06516	8.0
97.10164	7.3
98.98412	2.7
99.04411	1.3
99.08040	1.1
103.84176	0.6
104.10690	2.5
105.06288	0.7
105.07015	23.6
107.04955	5.4
107.08578	28.0
108.08907	0.7
109.02875	1.0
109.06509	4.5
109.10139	12.7
110.10461	0.8
111.04445	0.6
111.08093	4.6
113.05959	0.7
115.05411	1.1
117.07004	9.2
119.08566	16.3
121.06490	4.1
121.10118	11.8
123.08040	3.1
123.11720	4.1
124.99988	20.0
125.09624	4.9
127.03905	0.9
127.07526	1.1
128.06194	1.7
129.06970	4.2
131.08553	13.1
133.06529	3.2
133.10114	25.1
135.08029	4.9
135.11667	9.8
137.09566	2.2
142.07753	0.8
143.08517	3.1
145.06462	1.6
145.10106	7.0
146.97208	0.6
147.08023	3.4
147.11653	7.2
149.09608	4.2
149.13237	10.8
151.11177	5.6
154.17776	0.8
155.08504	0.8
157.10097	4.4
159.11688	8.9
161.09593	3.2
161.13173	3.1
163.11189	3.5
169.10059	1.8
169.12198	1.4
171.11633	3.3
173.13181	1.3
175.11166	3.1
177.09126	0.8
177.12686	3.0
183.11742	0.9
184.07317	96.4
185.07622	1.1
185.13200	1.3
187.11154	1.1
189.11211	0.9
189.12743	1.0
193.12244	2.6
195.13713	5.5
205.12109	1.8
207.13763	1.5
211.13142	1.1
213.14758	1.5
215.12808	0.7
223.13254	9.2
227.12721	4.4
227.17969	0.9
245.18985	3.5
249.14828	1.5
253.14336	15.3
255.17490	0.7
257.18979	1.0
259.20551	2.7
261.18381	0.8
263.19968	1.2
267.15894	6.6
269.17441	51.1
270.17874	2.5
273.18430	13.0
275.20087	2.8
277.21649	1.0
281.17502	2.2
283.15411	2.5
285.16968	1.1
291.19507	49.6
292.19775	1.7
299.15179	0.8
333.24097	1.1
347.22089	4.3
349.23767	1.4
365.23181	31.7
366.23727	1.1
439.26727	1.1
447.27155	0.8
461.28857	4.4
463.27072	0.8
465.28320	6.8
475.30478	1.8
479.30087	2.6
525.35626	2.3
531.36053	0.9
541.34961	8.1
543.37012	1.2
559.36218	100.0
560.36407	7.5
577.37573	1.8
738.43701	1.5
756.43616	2.5
756.56158	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99060	0.1
55.01876	0.1
55.05499	0.4
56.05026	0.7
57.03423	0.2
57.07058	0.1
58.06622	0.5
59.07399	0.2
60.08155	6.0
61.00803	0.1
63.41556	0.0
67.05492	0.8
68.27272	0.1
69.03426	0.1
69.07069	0.3
69.30716	0.7
70.06571	0.1
71.07365	3.1
79.05471	0.7
80.97432	0.1
81.03403	0.3
81.07048	0.8
83.04967	0.2
83.08606	0.2
85.02903	0.1
86.09694	29.9
87.10028	0.3
88.98441	0.1
90.95550	0.1
91.05474	0.6
93.07026	0.6
95.04959	0.2
95.08599	0.4
97.06508	0.1
97.10161	0.1
97.88075	0.1
98.20759	0.1
98.98450	2.7
99.04533	0.1
104.10728	2.9
105.07014	0.6
107.04942	0.1
107.08580	0.3
109.06523	0.2
109.10123	0.2
110.33624	0.1
111.08022	0.1
116.99440	0.1
117.07014	0.2
117.84105	0.1
118.07228	0.1
119.08564	0.4
121.06490	0.1
121.10101	0.2
123.08068	0.1
124.99987	19.3
126.00368	0.1
129.06996	0.1
131.08540	0.2
133.10098	0.3
135.08025	0.1
135.11671	0.2
143.01039	0.3
143.08440	0.1
145.10098	0.2
147.07971	0.1
147.11646	0.2
149.09624	0.1
157.10100	0.1
159.11635	0.1
166.02612	0.2
171.11745	0.1
178.13708	0.1
183.72122	0.1
184.07314	100.0
185.07661	1.4
186.07683	0.1
193.12172	0.1
211.13370	0.1
253.14337	0.1
259.20309	0.1
267.15872	0.1
269.17413	0.2
273.18225	0.1
275.19888	0.1
281.17148	0.1
283.15494	0.1
285.16989	0.1
291.19476	0.2
349.23639	0.1
365.23239	0.2
446.22885	0.1
464.24207	0.1
495.20776	0.1
515.33270	0.1
541.34729	0.2
559.36188	0.9
670.37006	2.7
671.36804	0.2
722.43799	1.6
723.43512	0.2
738.43079	0.4
756.43970	0.6
757.42102	0.1
761.41296	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.1
55.01853	0.1
55.05502	0.4
56.05037	0.7
57.03425	0.3
58.06609	0.5
59.07379	0.2
60.08152	6.5
65.03935	0.1
67.05488	1.0
69.03400	0.2
69.07044	0.3
69.50020	0.1
70.06554	0.2
70.77833	0.2
70.78205	0.2
71.04979	0.1
71.06963	0.2
71.07359	2.9
78.56882	0.1
79.05472	1.0
79.43440	0.1
80.97438	0.1
81.03393	0.4
81.07037	1.2
82.07347	0.1
83.04947	0.3
83.08590	0.3
84.08118	0.1
85.02888	0.1
85.06512	0.1
86.09689	31.6
87.10025	0.3
91.05470	0.9
93.07030	0.9
95.04939	0.3
95.08594	0.5
97.02879	0.2
97.06532	0.4
97.10115	0.1
98.98444	3.1
104.10719	3.9
105.07024	0.8
107.04928	0.2
107.08575	0.5
109.02846	0.1
109.06496	0.2
109.10131	0.3
111.08057	0.1
117.06970	0.2
119.08572	0.6
121.06523	0.1
121.10136	0.2
123.11713	0.1
124.99979	21.9
125.09618	0.1
126.00327	0.1
129.06940	0.2
131.08531	0.4
133.10112	0.5
135.08060	0.1
135.11639	0.2
143.01031	0.4
143.08492	0.2
145.10120	0.3
147.08041	0.2
147.11641	0.3
149.09590	0.2
151.11169	0.1
157.10052	0.1
159.11679	0.2
161.13168	0.1
163.11252	0.1
166.02585	0.1
175.11142	0.2
184.07303	100.0
185.07642	1.4
211.13213	0.1
227.12820	0.1
244.55557	0.1
253.14372	0.1
267.15930	0.2
273.18262	0.1
274.17776	0.1
275.20023	0.2
283.15561	0.2
285.16876	0.2
301.16602	0.1
349.23541	0.2
365.23358	0.1
433.82047	0.1
442.24472	0.1
461.30258	0.1
464.23987	0.1
532.30969	0.1
541.34912	0.5
545.59222	0.1
559.35266	0.3
560.36066	0.1
576.35437	0.1
580.86890	0.1
658.37036	1.6
720.41730	0.2
738.43268	1.2
739.43567	0.1
756.44305	5.2
757.44214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
56.05029	0.6
57.03416	0.1
57.07072	0.1
58.06297	0.2
58.06615	0.6
59.07141	0.1
59.07390	0.2
60.08148	6.4
62.61910	0.1
67.05485	0.8
69.03432	0.1
69.07055	0.3
69.21398	0.1
69.21829	0.1
69.67690	0.2
69.68098	0.3
70.06582	0.1
71.04970	0.1
71.07357	3.0
77.81976	0.1
79.05471	0.6
81.03401	0.2
81.07043	0.7
83.04977	0.2
83.08598	0.1
85.02862	0.1
86.09684	30.5
87.10011	0.4
91.05449	0.6
93.07024	0.6
95.04940	0.3
95.08580	0.3
97.06532	0.1
97.10157	0.1
98.98441	2.8
104.03531	0.1
104.10717	2.9
105.07022	0.5
107.04897	0.1
107.08556	0.3
109.06486	0.1
109.10140	0.1
117.06995	0.2
119.08569	0.3
121.06434	0.1
121.10122	0.2
123.08054	0.1
124.99975	20.0
125.09612	0.1
126.00381	0.1
129.06938	0.2
131.08559	0.2
133.10085	0.2
135.08012	0.1
135.11632	0.1
137.45056	0.1
143.01016	0.3
147.11641	0.1
149.09566	0.1
149.13229	0.1
159.11670	0.1
161.09607	0.1
166.02644	0.2
171.02591	0.1
171.11713	0.1
175.11058	0.1
184.07295	100.0
185.07649	1.2
186.07799	0.1
253.14479	0.1
267.15756	0.1
269.17450	0.3
275.19870	0.2
291.19388	0.2
350.24359	0.1
365.23001	0.2
446.22476	0.1
464.24292	0.1
541.34900	0.3
559.36053	0.8
568.32141	0.1
670.36993	3.1
671.36786	0.2
722.43762	1.8
723.43677	0.2
738.42999	0.5
756.44055	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17340	0.4
55.01863	2.5
55.05499	10.7
57.03429	7.6
57.07029	0.5
59.04972	0.6
65.03913	1.0
67.05494	14.7
69.03416	2.7
69.07060	3.8
70.31787	2.0
71.04987	2.7
79.05477	16.8
81.03403	40.6
81.07040	15.7
83.04961	4.4
83.08606	12.5
85.02843	1.6
85.06480	1.4
91.05464	13.4
93.06473	0.7
93.07022	11.6
95.04948	18.2
95.08589	7.5
97.02832	1.6
97.06505	3.1
97.09542	0.7
97.10152	13.2
105.07013	8.4
106.07365	0.6
107.04937	11.4
107.08575	9.3
109.02855	1.3
109.06498	8.0
109.10144	5.2
111.04371	1.4
111.08067	4.8
113.06002	0.9
115.05432	0.6
117.06985	4.3
119.04899	1.1
119.08561	9.3
121.06484	7.8
121.10103	7.0
123.04377	1.1
123.08064	4.2
123.11662	1.0
125.05931	0.9
125.09601	13.0
129.06989	6.6
131.04848	2.0
131.08540	8.1
133.06464	3.9
133.10114	4.0
135.08072	4.6
135.11624	2.2
136.08690	0.5
137.05914	0.6
137.09563	1.0
139.03906	0.6
139.11125	1.1
141.06880	1.4
142.07751	1.5
143.08553	2.5
143.10532	0.6
145.06477	5.5
145.10083	4.2
147.04305	2.1
147.08037	4.1
147.11656	5.7
149.05887	0.5
149.09584	3.7
149.13231	0.6
151.07561	0.6
153.09068	2.0
153.12669	0.7
155.08476	2.1
157.06424	1.6
157.10091	7.2
159.07967	1.9
159.11621	1.7
161.05960	1.1
161.09569	1.4
163.11163	3.5
165.12694	1.7
167.08459	0.9
167.10619	1.1
169.10023	1.2
171.07967	1.7
171.10283	0.7
171.11644	2.2
173.06023	0.5
173.09558	1.4
173.11736	0.6
173.13177	1.3
175.07541	0.5
175.11157	5.6
175.79729	0.5
177.05418	1.1
177.12724	1.3
181.10019	0.8
183.11664	1.1
185.09543	1.2
185.13225	1.5
187.11136	1.3
187.14700	1.0
189.11174	5.6
189.12704	1.2
191.10713	0.9
191.14229	1.3
193.12201	14.4
195.11613	1.3
197.09561	0.8
197.13177	1.4
199.11147	1.6
201.12666	0.7
203.14322	0.5
205.12173	1.8
209.13266	0.9
211.11223	1.1
211.13147	1.1
213.12711	1.0
215.14227	1.9
217.12207	1.2
219.11612	0.5
219.13722	2.1
223.11140	0.6
223.13245	1.4
227.12616	1.5
227.14484	0.9
231.13753	1.0
233.15211	3.4
235.13286	0.9
237.12672	1.2
237.14857	0.8
239.14279	0.8
245.15422	0.6
249.14833	1.7
255.13728	1.2
257.15308	0.8
259.13141	0.9
267.15866	35.6
268.16254	0.7
269.15387	0.7
271.16953	1.1
273.14676	5.9
273.16785	0.5
275.16382	1.1
311.16278	0.6
321.22098	1.1
331.20340	0.5
339.23230	2.6
349.21664	4.0
357.24216	1.8
367.22583	11.4
385.23666	18.3
403.24722	5.3
405.24002	0.6
423.25275	1.1
441.26309	8.8
441.37244	0.5
459.27335	100.0
460.27673	3.0
477.28400	93.6
478.28992	3.2
491.29959	13.7
501.28403	1.8
509.31207	5.8
541.33490	1.4
567.29407	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.7
55.01862	25.3
55.05501	43.4
57.03425	26.3
57.07058	6.1
59.04998	1.9
61.02912	9.2
63.53154	1.7
65.03920	2.5
67.05492	100.0
68.05824	2.6
69.03418	24.2
69.07056	40.0
69.31186	11.8
69.31617	5.7
71.01328	4.1
71.04980	12.1
73.02914	9.0
77.03928	1.5
79.05479	70.5
81.02914	1.9
81.03403	72.4
81.07043	98.7
82.04198	2.8
83.04970	26.1
83.08604	26.8
85.02893	23.5
85.06523	6.0
86.09688	10.1
91.03961	3.8
91.05466	69.1
92.05785	1.5
93.07027	64.1
95.01331	1.6
95.04954	37.1
95.08588	44.9
97.02875	22.5
97.06517	35.9
97.10159	16.9
98.07288	2.4
99.04434	7.5
99.08074	4.4
102.08303	1.6
103.05427	2.8
105.07012	57.4
107.04931	23.5
107.08580	41.2
109.02864	10.1
109.06515	17.1
109.10137	35.6
111.04426	9.9
111.08054	14.5
113.05997	2.0
114.20827	1.5
115.05410	2.9
116.04676	5.6
117.06997	24.9
119.04939	3.1
119.08560	47.1
121.06481	11.5
121.10123	24.4
123.04414	3.8
123.08029	18.5
123.11701	9.6
125.00002	5.4
125.05956	2.0
125.09602	15.9
127.03882	10.3
127.07501	2.3
128.06204	3.3
129.05467	16.5
129.06956	15.0
131.04980	1.7
131.08549	30.3
133.06439	8.5
133.10109	32.1
135.08041	12.4
135.11661	15.5
137.05930	3.0
137.09567	10.5
139.11121	2.6
141.06993	3.2
142.07771	3.0
143.03333	2.1
143.08513	10.1
145.06464	4.3
145.10092	24.2
147.08022	11.5
147.11655	29.0
149.09599	26.4
149.13225	9.9
151.11159	5.2
153.09077	4.9
153.12749	2.9
155.08508	4.1
155.10597	2.0
157.08582	6.5
157.10114	17.7
159.08096	5.6
159.11636	14.8
161.09616	7.7
161.13234	6.3
163.11157	16.3
165.09102	4.1
165.12730	6.6
167.10634	3.0
169.10104	4.5
171.08121	2.6
171.10175	5.3
171.11665	6.4
173.04448	10.3
173.09579	3.4
173.11705	7.3
173.13231	8.6
175.11142	11.6
177.09100	1.8
177.12756	6.6
179.10667	2.0
181.10083	2.1
181.12241	4.2
183.11682	4.4
184.07312	23.1
185.07845	2.2
185.09612	1.6
185.11627	1.9
185.13226	3.1
187.11067	3.3
187.13269	2.5
187.14824	2.8
188.06883	1.6
189.11212	6.7
189.12720	2.0
191.10652	2.8
193.12198	24.9
195.13765	6.3
197.13284	2.7
199.11282	2.7
199.13252	5.1
199.14906	2.6
200.14085	1.8
201.12730	2.4
205.12181	2.2
209.11716	6.9
211.13229	27.7
215.18040	1.8
217.15892	2.2
219.66565	1.6
221.11520	1.9
223.13148	3.1
227.12708	14.0
229.14262	15.3
229.19574	2.0
233.15315	2.1
239.18182	2.2
241.14348	1.8
243.13757	1.9
243.15895	5.8
245.18916	2.0
247.20499	2.4
249.14850	2.7
253.14276	1.7
255.17863	2.0
257.18961	5.9
267.15857	21.0
269.17322	10.1
273.15869	2.0
273.18488	12.1
275.20001	42.7
276.20410	2.4
283.15411	8.9
285.16888	19.5
291.19473	24.7
293.21106	4.9
299.20053	1.9
301.16461	26.8
309.20493	3.7
313.21759	2.2
323.18588	1.8
329.20926	2.4
339.17981	2.0
347.22195	5.4
349.23697	21.9
365.23178	13.4
383.24298	5.0
393.26169	2.1
397.22018	2.0
413.21564	3.4
421.25626	4.6
423.27216	5.6
429.21085	2.4
439.26855	4.9
449.28546	2.3
453.28629	4.0
461.28793	2.5
477.28214	3.3
479.30136	3.8
495.29272	6.0
501.31711	2.0
502.33038	1.7
503.33777	3.9
529.35071	1.8
539.33380	3.0
540.34052	2.5
541.35077	3.9
557.26825	2.1
557.34808	13.9
558.35107	2.5
559.36139	4.3
575.35669	35.0
576.35907	4.9
593.36658	19.3
639.33337	2.9
719.39575	3.2
737.40729	4.8
738.42456	2.8
755.42676	4.8
773.69202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.7
55.01862	25.3
55.05501	43.4
57.03425	26.3
57.07058	6.1
59.04998	1.9
61.02912	9.2
63.53154	1.7
65.03920	2.5
67.05492	100.0
68.05824	2.6
69.03418	24.2
69.07056	40.0
69.31186	11.8
69.31617	5.7
71.01328	4.1
71.04980	12.1
73.02914	9.0
77.03928	1.5
79.05479	70.5
81.02914	1.9
81.03403	72.4
81.07043	98.7
82.04198	2.8
83.04970	26.1
83.08604	26.8
85.02893	23.5
85.06523	6.0
86.09688	10.1
91.03961	3.8
91.05466	69.1
92.05785	1.5
93.07027	64.1
95.01331	1.6
95.04954	37.1
95.08588	44.9
97.02875	22.5
97.06517	35.9
97.10159	16.9
98.07288	2.4
99.04434	7.5
99.08074	4.4
102.08303	1.6
103.05427	2.8
105.07012	57.4
107.04931	23.5
107.08580	41.2
109.02864	10.1
109.06515	17.1
109.10137	35.6
111.04426	9.9
111.08054	14.5
113.05997	2.0
114.20827	1.5
115.05410	2.9
116.04676	5.6
117.06997	24.9
119.04939	3.1
119.08560	47.1
121.06481	11.5
121.10123	24.4
123.04414	3.8
123.08029	18.5
123.11701	9.6
125.00002	5.4
125.05956	2.0
125.09602	15.9
127.03882	10.3
127.07501	2.3
128.06204	3.3
129.05467	16.5
129.06956	15.0
131.04980	1.7
131.08549	30.3
133.06439	8.5
133.10109	32.1
135.08041	12.4
135.11661	15.5
137.05930	3.0
137.09567	10.5
139.11121	2.6
141.06993	3.2
142.07771	3.0
143.03333	2.1
143.08513	10.1
145.06464	4.3
145.10092	24.2
147.08022	11.5
147.11655	29.0
149.09599	26.4
149.13225	9.9
151.11159	5.2
153.09077	4.9
153.12749	2.9
155.08508	4.1
155.10597	2.0
157.08582	6.5
157.10114	17.7
159.08096	5.6
159.11636	14.8
161.09616	7.7
161.13234	6.3
163.11157	16.3
165.09102	4.1
165.12730	6.6
167.10634	3.0
169.10104	4.5
171.08121	2.6
171.10175	5.3
171.11665	6.4
173.04448	10.3
173.09579	3.4
173.11705	7.3
173.13231	8.6
175.11142	11.6
177.09100	1.8
177.12756	6.6
179.10667	2.0
181.10083	2.1
181.12241	4.2
183.11682	4.4
184.07312	23.1
185.07845	2.2
185.09612	1.6
185.11627	1.9
185.13226	3.1
187.11067	3.3
187.13269	2.5
187.14824	2.8
188.06883	1.6
189.11212	6.7
189.12720	2.0
191.10652	2.8
193.12198	24.9
195.13765	6.3
197.13284	2.7
199.11282	2.7
199.13252	5.1
199.14906	2.6
200.14085	1.8
201.12730	2.4
205.12181	2.2
209.11716	6.9
211.13229	27.7
215.18040	1.8
217.15892	2.2
219.66565	1.6
221.11520	1.9
223.13148	3.1
227.12708	14.0
229.14262	15.3
229.19574	2.0
233.15315	2.1
239.18182	2.2
241.14348	1.8
243.13757	1.9
243.15895	5.8
245.18916	2.0
247.20499	2.4
249.14850	2.7
253.14276	1.7
255.17863	2.0
257.18961	5.9
267.15857	21.0
269.17322	10.1
273.15869	2.0
273.18488	12.1
275.20001	42.7
276.20410	2.4
283.15411	8.9
285.16888	19.5
291.19473	24.7
293.21106	4.9
299.20053	1.9
301.16461	26.8
309.20493	3.7
313.21759	2.2
323.18588	1.8
329.20926	2.4
339.17981	2.0
347.22195	5.4
349.23697	21.9
365.23178	13.4
383.24298	5.0
393.26169	2.1
397.22018	2.0
413.21564	3.4
421.25626	4.6
423.27216	5.6
429.21085	2.4
439.26855	4.9
449.28546	2.3
453.28629	4.0
461.28793	2.5
477.28214	3.3
479.30136	3.8
495.29272	6.0
501.31711	2.0
502.33038	1.7
503.33777	3.9
529.35071	1.8
539.33380	3.0
540.34052	2.5
541.35077	3.9
557.26825	2.1
557.34808	13.9
558.35107	2.5
559.36139	4.3
575.35669	35.0
576.35907	4.9
593.36658	19.3
639.33337	2.9
719.39575	3.2
737.40729	4.8
738.42456	2.8
755.42676	4.8
773.69202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01855	4.4
55.05507	24.1
57.03427	11.1
57.07071	2.8
59.04976	1.7
65.03932	4.0
67.05494	64.6
69.03419	1.5
69.07057	17.7
69.38563	4.6
69.38990	7.1
71.04979	4.2
71.55195	1.1
77.03925	1.8
79.05482	86.8
81.03414	7.4
81.07045	66.0
83.04984	13.7
83.08612	11.0
85.02899	1.9
85.06532	3.8
86.09695	1.7
91.05468	86.4
93.07030	94.4
95.04964	20.5
95.08592	41.2
97.02834	1.4
97.06512	4.9
97.10152	4.8
99.08115	2.2
103.05422	1.7
105.04510	1.9
105.07015	93.7
106.07339	1.4
107.04954	7.5
107.08571	30.4
109.06511	5.5
109.10139	12.1
111.08048	3.0
113.09669	1.5
115.05434	1.3
115.09806	1.2
117.07002	22.4
119.08561	63.9
121.06487	3.7
121.10127	18.0
123.08048	6.8
123.11708	1.8
128.06226	5.0
129.06993	21.8
130.07881	1.3
131.08546	23.9
133.06512	1.5
133.10106	39.6
135.08060	2.2
135.11678	17.0
137.09579	2.2
139.11139	1.1
141.07045	2.0
142.07805	1.4
143.08543	18.5
145.06555	2.1
145.10103	26.5
147.08063	3.7
147.11668	60.3
149.09602	1.9
149.13219	7.0
155.08543	2.9
157.10095	7.2
159.11688	16.4
161.09590	4.5
161.13231	35.0
161.71843	1.2
163.14851	3.4
165.69221	1.1
169.10155	3.9
171.11670	31.0
171.13135	2.3
173.13211	11.9
175.14807	12.2
177.12733	3.2
179.14174	1.3
181.10088	1.5
183.11699	3.7
184.07358	4.7
185.13225	9.2
187.11116	1.8
187.14828	3.5
189.12691	9.5
195.11765	2.8
197.13237	1.7
199.14841	4.7
207.13763	24.3
213.16394	3.2
217.19464	1.4
231.21085	5.2
239.17958	2.2
241.14386	1.3
241.19484	32.9
243.21179	1.3
247.16830	1.6
257.19031	3.8
259.20544	61.2
260.20892	2.4
261.22159	3.0
265.17682	1.6
275.20261	1.2
279.15918	21.0
280.16394	1.3
281.17426	79.5
282.17749	2.6
283.18878	2.0
297.17093	3.2
315.23160	7.6
318.83398	1.2
331.22556	2.7
333.24188	52.7
333.88379	1.2
334.24677	2.1
437.33923	2.8
447.32501	9.3
465.33301	5.7
483.34601	4.6
521.36023	4.2
529.39233	2.9
539.37244	100.0
540.37421	4.9
557.29608	1.8
557.38281	36.9
558.38409	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	754.5088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.2
57.03427	9.2
57.07055	8.5
67.05493	32.3
69.07050	15.2
71.04114	4.6
71.04464	7.2
71.08624	3.2
79.05488	21.2
81.03391	5.6
81.07048	41.3
83.04977	3.5
83.08604	12.6
86.09689	17.1
91.05463	13.4
93.07043	28.0
95.04951	6.9
95.08604	22.5
97.10185	6.2
105.07008	11.6
107.08591	15.9
109.10130	12.5
117.06995	5.0
119.08589	9.6
121.10166	17.1
123.08080	4.2
124.99992	11.2
131.08542	4.5
133.10147	9.6
135.11679	3.5
147.11607	3.5
149.13235	14.2
159.11664	10.6
161.13223	4.5
163.14833	4.3
167.11470	3.7
177.12669	3.7
184.07323	74.5
185.07608	4.3
195.13776	7.0
200.79985	3.4
243.21265	4.1
251.57932	3.7
261.22119	15.5
267.15903	5.3
269.17441	100.0
335.25763	65.3
335.29541	2.6
388.64609	4.3
443.74896	3.4
468.39642	3.6
529.38824	95.7
530.39093	4.1
537.37811	23.3
538.37561	4.3
543.39740	4.1
754.50366	4.3
755.40808	6.9
767.72736	3.9
786.44049	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	754.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.01865	5.6
55.05499	23.5
57.03428	12.6
57.07065	4.6
58.15445	1.7
60.08151	2.6
61.02885	2.4
65.03920	3.4
67.05493	72.6
69.03429	2.2
69.07050	19.8
71.04968	4.3
74.10115	1.8
79.05479	85.0
81.03417	9.9
81.07041	74.6
83.04974	11.0
83.08598	16.8
85.02873	3.2
85.06525	4.2
86.09686	11.1
91.04887	3.4
91.05465	99.2
93.07029	100.0
95.04951	21.3
95.08588	50.4
97.02867	3.1
97.06515	8.7
97.10133	5.2
98.20732	6.2
99.08071	4.2
103.05437	3.4
105.04514	2.5
105.07012	90.4
106.07352	1.6
107.04936	11.5
107.08578	38.4
109.06535	8.6
109.10146	15.1
111.08041	3.5
112.85140	1.8
115.05455	1.9
117.06993	25.6
119.08561	67.3
121.06530	4.9
121.10132	23.8
123.08051	8.1
123.11706	3.4
124.20700	2.0
124.99992	7.7
125.09566	2.9
125.64967	2.1
128.06197	5.8
129.05530	2.1
129.06976	23.4
131.08545	24.9
133.10103	47.2
135.08011	2.7
135.11655	16.0
137.09550	2.4
143.08513	16.0
145.10103	30.9
146.10628	1.7
147.08096	3.6
147.11665	67.1
149.09579	5.9
149.13251	10.2
155.08554	5.0
156.09256	2.2
157.10097	11.5
159.11655	25.2
161.09589	6.6
161.13223	41.6
163.11176	4.6
163.14874	3.4
169.10115	5.3
171.11647	34.7
173.13252	11.5
175.14801	13.9
177.12755	3.5
179.14320	2.0
183.11630	4.1
184.07303	35.0
185.13283	12.1
187.11124	3.0
187.14809	4.6
189.12714	11.1
195.13678	1.9
197.13226	3.2
199.14824	6.2
207.13838	14.8
211.84679	1.7
213.16322	4.4
231.17403	3.2
231.21074	6.9
241.14334	2.5
241.19476	28.9
243.21120	2.7
249.20152	2.0
257.18979	4.6
257.65897	2.0
259.20538	67.7
261.22168	2.5
271.16403	2.0
275.20084	2.5
279.15878	23.2
281.17422	84.1
282.17734	2.2
283.19177	2.9
297.16971	3.3
297.22217	2.4
315.23148	4.1
333.24222	36.1
334.24435	2.5
335.25812	2.2
429.31653	2.7
447.32394	9.0
465.33380	9.2
483.34299	6.5
498.45120	2.0
521.35913	5.8
527.37524	2.1
529.38806	5.3
539.37250	99.2
540.37463	7.4
557.38342	39.6
558.38055	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01871	2.9
55.05499	25.6
56.05849	0.8
57.03143	1.0
57.03427	16.8
57.07062	4.2
59.04971	1.4
59.42210	0.5
60.08133	1.9
61.02913	4.9
65.03927	3.7
67.05491	72.1
69.03413	5.6
69.07055	18.0
69.67349	4.6
71.01322	0.8
71.04986	3.5
71.07359	0.8
71.08616	2.9
73.02890	1.3
79.05479	46.1
80.05803	1.4
81.03402	9.9
81.07039	58.4
82.07349	1.1
83.04960	7.4
83.08602	13.3
85.02434	0.6
85.02892	9.2
85.06514	2.5
85.10157	0.9
86.09691	11.7
91.03918	2.4
91.05463	29.4
92.05782	0.6
93.07028	48.9
94.04166	0.7
94.07342	1.1
95.04350	1.0
95.04949	18.5
95.08589	40.3
97.02863	3.4
97.06516	3.5
97.10151	14.6
99.04427	1.7
99.08067	0.9
103.05436	1.1
104.10677	0.7
105.04449	0.7
105.06292	0.8
105.07007	19.3
107.04929	6.9
107.08573	28.6
109.02850	1.9
109.06524	3.9
109.10135	28.3
109.64841	0.6
110.10487	0.7
111.04424	0.8
111.08056	4.3
113.09607	1.0
115.05426	2.0
117.06998	12.5
119.08561	16.1
119.99364	0.6
121.06498	4.8
121.10117	18.2
123.08025	3.0
123.11700	4.4
124.99995	6.5
125.05949	1.1
125.08735	0.9
125.09604	13.4
128.06128	0.8
129.06987	2.9
130.07790	0.6
131.07568	0.9
131.08540	15.9
133.06425	1.2
133.10106	10.1
135.08032	3.6
135.11665	10.9
137.09572	1.9
137.13162	1.5
139.11169	1.1
141.06935	2.0
143.08594	3.0
143.10626	0.8
145.04895	0.7
145.06435	1.4
145.10098	10.2
147.11661	6.5
149.09567	2.4
149.13206	7.1
151.11131	1.2
151.16743	0.6
153.09041	1.1
155.08548	0.8
155.10603	1.1
157.10098	2.6
159.11665	11.1
161.09578	1.9
161.13231	3.8
163.11143	1.6
163.14757	2.3
167.10645	0.8
169.10034	3.1
171.10246	0.7
171.11644	2.4
173.11696	4.8
173.13223	4.9
175.11131	0.9
175.14810	1.3
177.12665	3.7
177.16342	1.0
179.14305	0.8
181.10033	1.3
183.11600	1.5
183.81133	0.6
184.07301	43.4
185.07657	0.8
185.13249	1.6
187.11105	3.8
187.13220	0.6
187.14787	2.7
189.11195	7.7
195.13712	0.9
197.13205	1.0
199.13158	1.1
199.14847	0.8
201.16362	0.7
205.12177	3.4
207.13731	0.8
213.14774	1.6
223.13239	46.4
224.13618	1.8
227.10712	1.0
227.12753	7.9
229.14293	13.7
241.14278	0.9
241.19458	0.7
243.21019	3.3
259.20560	1.6
261.22098	13.5
265.99365	0.7
279.15845	3.1
281.17419	0.8
297.16913	100.0
298.17313	4.4
301.16452	2.0
311.23474	1.2
313.27402	8.3
315.22998	1.3
317.24725	2.1
329.24802	1.7
333.24240	0.9
335.25745	70.4
336.26086	4.2
371.25635	0.6
403.28433	1.3
429.31793	0.7
437.34525	0.9
447.32523	2.0
455.37259	0.8
465.33783	2.8
467.37125	2.5
483.34741	1.8
487.34384	0.8
489.35577	10.5
490.35904	0.9
529.38788	2.3
537.37775	0.8
539.37482	6.3
557.38300	48.8
558.38391	4.1
575.39600	2.9
650.43652	1.8
664.44751	1.2
754.48517	1.7
779.04022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01871	6.7
55.05509	11.1
56.58872	1.0
57.03419	4.5
57.07045	1.5
67.05492	17.0
69.03416	1.7
69.07064	12.9
69.60680	9.9
70.50973	1.1
71.04969	3.6
71.08591	1.4
71.61013	1.0
76.82699	1.1
77.04032	1.1
79.05489	17.1
81.03415	7.5
81.07046	26.0
83.01324	4.3
83.04961	7.6
83.08600	9.3
85.02910	2.1
85.06527	1.3
86.09706	1.2
91.04891	1.3
91.05470	26.8
92.05798	1.2
93.07030	22.4
95.01310	4.0
95.04967	9.4
95.08597	14.2
97.02878	2.4
97.06514	12.7
99.04482	1.8
99.08114	1.5
105.07018	32.0
107.04955	9.9
107.08576	13.3
109.06506	4.6
109.10125	5.8
111.04475	1.8
111.08028	1.4
117.06981	8.0
119.08567	18.8
121.06479	2.8
121.10130	6.5
123.04388	1.5
123.08044	4.9
124.99925	1.8
125.09606	1.9
129.06989	1.8
131.08545	10.5
133.10130	17.6
135.08017	2.4
135.11688	9.6
137.09583	2.0
143.08554	3.2
145.10120	12.3
147.08069	2.2
147.11673	6.2
149.09628	3.7
151.11168	1.5
153.09090	1.3
157.10162	1.6
159.11652	4.8
159.72455	1.2
161.09425	1.4
161.13216	1.9
163.11165	11.8
171.11638	1.6
173.09554	1.2
173.13206	2.0
175.11198	1.4
177.12790	1.7
179.14291	4.1
181.12152	1.4
183.11656	2.2
184.07339	6.3
185.13239	1.3
187.11171	1.3
208.87624	1.1
209.11604	2.2
227.12634	3.0
247.20596	1.2
257.18954	2.6
275.20013	31.0
283.15375	56.2
349.23697	15.1
539.33997	3.3
557.34674	100.0
558.34613	5.2
575.35266	1.7
599.35114	1.4
625.11780	1.2
732.96259	1.3
755.37067	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
55.01866	19.0
55.05503	37.0
57.03426	22.8
57.07061	5.8
59.04987	6.1
60.40850	1.0
60.61506	1.1
61.02904	1.1
62.50937	1.0
65.03923	3.5
67.05492	98.6
67.58121	1.3
67.64487	1.0
69.03419	24.6
69.07056	24.1
69.58595	5.9
69.59023	3.0
71.01336	5.0
71.04977	9.4
73.02901	3.5
79.05480	48.5
81.03405	100.0
81.07043	58.3
82.03722	1.5
82.07378	2.3
83.04969	24.8
83.08601	25.6
85.02890	40.1
85.06509	5.8
86.09689	1.9
87.04449	2.8
91.05465	44.3
92.05804	1.3
92.70119	1.1
93.07028	41.1
95.04951	31.1
95.05545	2.0
95.08593	23.5
95.09148	1.0
96.08936	1.6
97.02871	19.6
97.06525	14.1
97.10158	20.2
98.07320	1.1
99.04436	8.3
99.08089	1.8
103.03918	2.5
103.05428	2.0
105.07012	29.4
106.07281	1.4
107.04941	16.9
107.07864	1.6
107.08575	24.2
108.08942	1.8
109.02859	23.6
109.06520	10.2
109.10138	61.0
109.37729	1.3
110.10489	1.5
111.04425	12.6
111.08060	10.9
113.05960	2.1
115.03998	1.4
115.05424	3.4
117.06991	11.2
119.04926	1.9
119.08566	30.7
120.08889	1.7
121.02841	1.6
121.06501	7.8
121.10120	12.4
122.10458	1.3
123.04432	7.9
123.08024	8.9
123.11669	2.3
124.99967	1.8
125.05991	2.5
125.09602	20.4
127.03903	14.6
127.11174	1.6
128.06183	1.8
129.05444	5.1
129.06970	9.3
131.03392	2.2
131.04926	3.1
131.08542	20.1
133.06476	5.4
133.10106	11.5
135.04358	2.4
135.08031	7.2
135.11685	7.1
137.05986	2.2
137.09573	6.0
139.03899	3.3
139.07516	1.7
140.71497	1.1
143.08513	5.7
143.10645	2.1
145.06442	3.7
145.10081	11.5
147.04337	3.1
147.08008	7.1
147.11658	17.1
148.11993	1.8
149.05939	2.5
149.09586	9.0
149.13324	1.2
151.03839	1.5
151.07529	2.2
151.11209	2.1
153.09149	1.8
153.12726	4.4
155.08540	2.7
155.10701	2.1
157.04953	1.6
157.06496	1.3
157.08833	2.0
157.10088	12.5
159.08061	3.4
159.11647	4.6
161.06075	1.8
161.09612	4.5
161.13213	3.2
163.11139	9.5
165.05495	2.6
165.09077	2.1
165.12735	3.7
167.10620	1.6
169.10106	2.2
171.06570	1.8
171.08023	1.6
171.10231	1.1
171.11696	3.9
173.04442	11.1
173.09595	4.0
173.11710	15.2
173.13156	2.0
175.11159	13.7
177.12758	2.1
181.12231	3.9
183.06557	1.7
184.07317	5.6
185.13307	1.6
187.11212	1.7
189.09573	1.1
189.11208	7.5
189.12782	3.4
191.10614	5.4
193.12206	39.3
194.12598	1.5
199.05934	1.6
199.11145	3.6
199.13315	3.5
205.12222	1.4
207.13770	1.4
209.11629	7.9
211.05905	1.6
211.13245	35.6
212.13586	1.5
217.12328	2.4
223.13271	5.0
227.12741	15.2
229.12079	2.5
229.14294	28.5
230.14600	1.5
235.13280	5.2
249.14809	3.0
255.15907	1.5
257.13937	1.9
265.14294	2.3
267.15860	19.1
273.14960	3.3
273.18445	7.3
275.20056	1.9
277.14423	3.6
278.99005	1.1
283.15445	11.8
285.16895	8.4
289.14532	1.8
289.17917	2.0
291.19431	14.7
301.16714	3.3
309.16922	7.4
319.15366	1.6
337.16379	1.6
347.22189	2.6
353.15857	1.6
360.32590	1.2
365.23163	5.3
411.20447	1.6
421.25845	4.1
427.19852	2.0
439.26813	34.4
440.27188	2.5
459.27240	1.6
462.29230	1.6
463.26923	4.2
475.26068	1.5
477.28210	2.5
490.35941	4.2
493.28452	2.5
495.29007	1.4
511.29535	2.6
519.33221	6.7
528.37927	7.8
535.28491	1.7
555.32990	2.1
557.35309	1.6
573.34076	5.0
583.30988	2.7
585.30286	1.6
591.35181	2.4
594.41022	2.0
609.35925	5.1
637.32111	2.8
638.32483	1.4
655.33069	2.2
735.39502	3.4
753.40228	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	752.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.01856	1.5
55.05500	8.4
56.94650	0.8
57.03426	12.9
57.07066	27.2
58.48713	0.7
65.03925	0.8
67.05158	1.6
67.05494	17.7
67.05825	1.8
69.03406	1.6
69.07056	8.2
69.43732	8.1
70.38886	0.7
71.04983	1.6
71.08618	19.8
79.05479	10.2
81.03403	53.6
81.07044	19.0
83.04977	3.9
83.08125	1.7
83.08604	19.5
85.10168	12.3
85.67706	0.9
86.09700	4.1
89.05999	1.1
91.05467	12.2
93.07020	9.2
95.04953	15.1
95.08596	20.1
97.06505	2.0
97.10128	5.4
105.07020	9.1
107.04939	5.9
107.08557	3.8
109.06491	2.8
109.10146	9.2
111.04418	2.7
111.08057	4.9
111.11725	1.0
117.06999	1.6
119.08560	10.3
121.06518	1.7
121.10115	6.7
123.08008	1.1
123.11692	3.8
124.99968	2.3
129.06944	4.9
131.08536	7.8
132.85182	0.9
133.06480	1.9
133.10104	3.6
135.08058	1.0
135.11685	1.4
137.05960	4.6
137.13211	0.9
142.07770	1.6
147.08093	1.4
147.11644	6.2
149.09634	4.0
149.13213	1.1
157.10126	6.7
159.11639	1.2
163.11136	1.7
165.12657	1.1
175.11137	7.7
184.07297	12.8
193.12225	23.1
211.13266	1.8
221.11507	0.9
221.15434	1.3
239.23602	1.9
246.43866	0.8
249.14806	1.8
257.24664	2.0
267.15872	87.0
268.16196	2.4
273.14932	1.0
277.17792	1.0
301.14243	1.1
309.16769	1.3
313.27310	100.0
314.27621	3.6
335.25671	2.6
503.37085	1.6
505.38831	73.0
506.39227	4.0
523.39600	1.3
541.39032	1.5
547.39661	2.7
555.40070	4.3
601.40277	1.6
611.42957	3.1
631.42480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
55.01865	8.6
55.05257	0.5
55.05505	7.3
57.03435	2.0
57.07067	0.6
65.03928	1.0
67.05494	19.2
69.03397	0.5
69.07059	12.8
71.04981	1.0
73.06543	0.5
77.03901	0.6
79.05484	23.2
81.03409	4.0
81.07046	23.9
83.04969	6.5
83.08604	3.8
85.02879	0.5
85.06541	0.9
91.05469	27.6
92.05817	0.4
93.07031	24.3
95.01321	3.6
95.04960	7.4
95.08594	14.8
97.02872	0.5
97.06519	18.8
97.10155	1.9
98.21486	1.0
99.08078	0.7
103.05437	0.9
105.07016	33.1
106.07371	0.6
107.04939	9.4
107.08580	9.1
109.06519	2.8
109.10142	3.3
111.08082	1.0
113.09607	0.5
115.05427	0.9
117.06994	6.0
119.08565	19.0
121.06496	2.1
121.10133	3.8
122.79108	0.4
123.04420	1.0
123.08035	2.7
123.11660	1.0
125.09611	1.0
128.06281	0.4
129.06987	4.7
131.08556	7.4
133.06429	0.6
133.10110	17.1
135.08054	1.4
135.11684	3.0
137.09650	0.7
139.07477	0.5
141.06992	0.8
143.08549	2.6
145.06467	0.9
145.10097	7.4
147.08041	0.9
147.11662	13.7
149.09581	4.2
149.13269	1.1
151.11171	1.0
155.08510	0.6
157.10136	1.3
159.11682	4.3
161.09604	1.2
161.13239	4.2
163.11153	2.2
165.09074	0.9
169.10150	1.3
171.11673	5.9
173.13206	1.9
175.14784	0.7
177.12791	1.8
179.14284	4.6
183.11743	1.1
184.07320	0.8
187.11212	1.5
189.12714	2.0
195.13724	0.5
197.13165	0.7
198.52179	0.3
205.12274	0.4
207.13785	4.3
211.14923	0.5
224.06429	0.4
229.19563	0.4
229.30971	0.4
239.17984	0.5
247.20663	0.7
257.19006	1.6
259.20621	1.4
263.16537	1.1
275.20026	31.8
276.20428	0.8
279.15887	3.2
281.17435	23.7
282.17816	0.6
293.21066	2.2
331.22708	0.5
349.23682	14.3
377.23260	0.5
459.31131	0.7
516.19824	0.3
537.35999	2.8
555.36737	100.0
556.36932	4.8
573.37439	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.05022	0.4
57.03428	0.3
57.07070	0.4
58.06604	0.4
58.32835	0.2
60.08153	5.7
67.05492	0.9
71.07361	2.7
71.08621	0.4
79.05482	0.5
81.03388	0.3
81.07030	0.6
83.08604	0.5
85.10175	0.3
86.09692	28.6
91.05463	0.7
93.07033	0.5
95.08575	0.5
98.77578	0.2
98.98454	2.4
104.10741	1.8
105.07016	0.6
107.08633	0.2
109.06474	0.2
109.10120	0.2
111.36700	0.2
119.08572	0.3
124.99984	18.5
131.08517	0.2
133.10133	0.4
143.01054	0.4
151.11157	0.3
155.64685	0.2
166.02640	0.3
184.07310	100.0
185.07602	0.9
219.22372	0.2
229.45992	0.2
277.99878	0.2
313.27362	0.6
317.15851	0.6
473.85648	0.2
541.39069	0.3
555.37964	0.2
677.46912	0.2
702.46924	10.5
703.46637	0.4
752.47699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01653	0.8
55.01860	7.9
57.29272	0.8
57.36567	0.7
57.66187	1.1
61.02905	1.1
62.51715	0.9
67.05495	1.6
68.99777	3.3
69.03413	1.1
71.61470	1.5
81.03354	1.2
83.01317	2.9
85.02882	3.4
95.04926	1.8
97.02855	1.8
105.03389	2.1
109.02856	2.0
111.00804	1.4
111.04404	4.0
119.04889	1.4
123.04401	60.5
124.77734	0.8
127.03874	7.7
127.05424	1.0
131.04825	0.9
135.04341	2.5
137.02328	2.5
139.03871	59.5
140.04179	1.5
143.04915	1.0
147.04370	5.2
151.03870	4.5
153.01784	2.0
153.06950	0.9
155.03413	1.4
155.04817	1.2
161.05949	3.1
163.03868	7.7
169.06454	1.1
173.05966	4.2
175.03960	2.0
177.05487	0.9
179.03371	11.8
180.03671	1.2
181.06383	1.0
183.04419	1.3
184.05185	1.0
185.05879	1.9
187.03853	5.2
188.04480	1.2
189.05429	3.2
197.05925	3.9
199.03908	2.3
201.05399	3.7
203.03371	2.6
209.05930	2.5
211.03847	3.9
211.07202	1.0
213.05487	5.3
215.03491	1.6
215.06900	2.0
217.04872	1.1
221.05992	1.2
223.04002	1.4
223.07399	1.2
225.05409	7.2
226.05893	1.2
227.03369	3.3
227.06860	2.1
229.04880	6.0
230.05589	1.5
237.05377	3.7
239.03348	4.2
239.06973	1.7
240.04128	4.1
241.04916	9.4
242.05510	2.1
243.02814	1.4
243.06496	1.5
247.07692	0.9
249.05553	1.0
251.03336	3.2
251.06931	2.6
252.03943	0.9
253.04886	13.1
255.02791	2.0
255.06502	4.1
256.03696	1.2
257.04361	11.8
258.04968	4.2
259.05893	4.1
261.05359	1.1
263.03436	1.6
263.06955	2.0
265.04932	7.6
267.02820	11.6
267.06458	5.0
268.03629	3.2
269.01492	1.4
269.04391	29.9
270.01779	1.3
270.05072	4.7
271.02753	1.1
271.05914	10.8
272.06458	1.6
273.03696	2.0
275.06763	1.0
277.04913	1.8
278.05588	1.1
279.02805	3.7
279.06473	4.5
280.03336	1.0
281.04419	16.6
281.07507	1.1
282.05115	3.6
283.02286	7.0
283.05902	14.6
284.03156	2.1
285.03867	17.2
286.04333	1.5
287.05475	2.8
291.02884	1.4
291.06418	2.4
293.04395	8.3
294.04980	1.2
294.99478	1.0
295.02335	6.1
295.05945	10.3
296.03210	4.4
296.06219	1.0
297.03897	20.8
297.07230	1.1
298.04407	4.3
299.05429	21.7
303.04965	2.1
305.04309	2.1
305.07700	1.1
307.02267	2.5
307.05887	5.6
308.03061	1.5
309.03967	14.0
309.07394	2.5
310.04501	2.3
311.01898	2.0
311.05356	13.7
313.03284	3.0
313.06760	1.5
315.04910	2.6
317.04422	1.5
317.07864	1.7
319.02490	1.5
319.05792	5.7
321.03815	3.6
323.01706	9.5
323.05435	10.8
324.02371	2.4
325.03397	19.2
325.06995	2.1
326.03812	1.7
327.04865	7.6
329.03049	1.1
333.03726	2.1
333.07364	1.3
335.01828	1.6
335.05359	8.2
337.03296	6.7
337.06958	3.0
339.04880	10.1
341.02927	1.6
341.06796	1.9
343.04382	9.6
345.07758	1.3
347.05396	4.0
349.03259	1.7
349.07098	1.7
351.04932	6.4
353.02805	2.2
353.06638	3.4
354.03473	1.3
355.04453	9.5
357.06830	1.1
359.05646	1.2
361.03223	1.8
361.07178	1.3
363.04755	4.2
365.02454	1.9
365.06555	3.2
367.04395	6.3
369.06039	7.7
371.05139	1.6
373.07086	2.0
375.04941	1.7
377.06628	1.1
379.04330	3.5
381.01855	1.1
381.05951	4.6
383.03870	7.6
385.05743	2.1
387.06693	3.2
389.06473	1.7
391.04294	1.3
393.05786	2.5
395.04102	1.9
397.05511	18.8
398.05878	1.8
401.06378	2.0
403.06738	5.8
405.06158	1.9
407.07401	1.7
409.05212	6.7
411.05170	1.0
415.06540	58.0
416.06805	2.5
417.06110	2.6
421.05276	2.2
427.06534	5.7
429.05743	2.0
431.06519	3.5
433.07632	10.0
435.07043	2.0
437.04825	2.6
443.06335	2.7
445.05740	1.5
447.07190	1.5
451.06256	2.7
455.06186	8.1
457.06793	6.2
461.06992	3.5
463.06482	1.4
465.07776	1.5
467.05798	2.7
473.07077	52.1
474.07324	1.7
475.06708	3.5
477.08246	1.6
485.06665	1.9
487.06137	1.3
491.06268	1.4
493.07269	3.5
499.06250	1.2
501.08362	1.8
509.06760	1.0
517.07281	3.8
519.09283	1.1
521.06696	1.8
527.05768	1.2
529.08063	1.7
535.08685	9.6
536.09534	1.7
537.09802	1.3
545.07025	3.3
547.08606	2.8
549.09961	5.8
553.09613	13.5
554.09515	1.2
563.08087	13.2
564.08533	1.3
565.09741	7.3
567.10974	3.1
571.10248	2.0
575.07251	1.1
577.09088	1.0
581.09149	42.9
582.09546	3.1
583.10693	35.6
584.10724	1.4
589.09283	2.4
593.09082	3.7
599.10175	100.0
600.10669	5.3
607.10846	6.3
625.11017	1.5
687.12732	1.2
697.11230	2.5
715.12848	9.6
733.13464	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	748.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05262	1.1
55.05503	15.9
57.03416	3.5
57.07064	35.6
62.06069	1.9
62.78986	1.1
65.03912	1.8
67.05494	39.0
69.07053	15.3
71.04973	2.4
71.08623	42.7
72.08955	1.2
79.05485	22.1
80.04980	1.8
81.03397	3.0
81.06574	2.2
81.07043	42.2
82.06552	2.5
83.04948	4.0
83.08143	1.2
83.08604	17.1
85.02927	1.1
85.06534	1.5
85.10168	15.6
86.09685	2.3
91.05466	19.0
93.07030	27.0
95.04970	6.8
95.08595	36.4
96.08138	1.1
97.06520	5.0
97.10138	4.9
98.06050	2.4
98.98463	3.4
99.08089	9.5
103.05460	1.2
105.07011	13.4
107.04884	1.6
107.08587	13.3
109.06459	2.0
109.10140	14.3
110.37448	1.1
111.08063	2.3
113.09649	2.4
115.05412	1.5
117.07007	6.6
119.08554	7.9
121.10130	7.3
123.08038	1.3
123.11681	4.0
125.00046	2.2
129.06961	2.6
131.08545	5.9
133.10075	7.1
135.08025	2.0
135.11667	5.3
137.13223	1.6
139.11098	1.8
142.12302	1.2
143.08510	2.1
145.10065	4.6
147.11655	4.7
149.13263	5.6
151.11168	12.0
155.01016	2.0
157.10014	1.1
159.11682	3.6
161.13235	5.6
163.11156	10.5
171.11653	2.6
173.13242	1.9
177.12668	3.5
179.14272	5.2
184.07309	13.0
185.13167	2.0
195.13797	2.9
198.34322	1.2
217.19482	1.1
220.16945	10.8
224.10455	1.8
229.56705	1.7
233.92075	1.1
238.17950	8.1
239.23605	4.5
241.19427	4.2
251.16376	3.3
259.20471	3.9
269.17474	2.5
277.21622	9.3
282.27896	7.8
295.22769	2.6
301.14740	1.3
313.27319	29.0
314.27676	1.4
315.23203	1.7
318.14520	5.2
320.25842	6.8
336.15637	2.4
338.26788	1.3
351.25293	5.3
370.18384	1.2
374.17297	2.5
392.18356	7.4
491.40646	1.4
493.38651	3.1
507.40384	100.0
508.40433	3.8
532.43878	1.7
571.47113	23.3
572.47034	1.9
589.48212	98.9
590.48615	6.0
607.49164	16.8
630.41217	37.4
631.41333	1.7
712.49133	7.3
730.49811	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.5
54.03189	0.2
55.01844	0.6
55.05498	1.9
56.05011	0.2
57.03429	2.1
57.07038	0.3
58.06581	0.5
58.31796	0.2
60.08154	2.5
61.02915	5.5
61.08472	0.3
65.03909	0.3
67.05492	5.4
67.83021	0.2
69.03420	3.8
69.07055	1.7
69.67446	1.0
69.67876	0.7
71.01331	0.6
71.04964	0.5
71.07362	1.1
73.02904	4.4
79.05477	3.7
81.02985	0.2
81.03403	3.4
81.07040	6.7
83.08611	1.2
85.02889	7.5
86.09688	10.3
87.04438	0.3
87.09993	1.4
91.03932	4.2
91.05453	3.5
93.06473	0.3
93.07021	4.7
95.04951	1.4
95.08034	0.3
95.08587	4.1
97.02876	6.3
97.06512	0.5
97.10123	0.4
98.21519	0.3
98.98428	0.9
99.04426	1.1
101.02353	1.9
103.03924	0.4
104.10687	0.9
105.07018	2.4
107.04899	0.3
107.08567	2.5
109.02844	0.7
109.06470	0.3
109.10128	1.8
111.08053	0.5
115.03899	0.6
117.06966	0.5
119.08559	2.0
121.10134	2.4
123.08036	0.3
123.11660	0.7
124.99979	6.8
127.03892	1.9
129.06934	0.5
131.08551	1.1
133.10114	1.6
135.11632	0.7
137.09517	0.3
145.04915	0.4
145.10045	0.7
147.07947	0.3
147.11696	1.0
149.09605	0.5
149.13242	0.5
157.10077	0.7
159.11629	0.6
159.69531	0.2
171.20023	0.2
173.13147	0.3
175.11159	0.5
183.94016	0.3
184.07304	40.1
185.04163	0.7
185.07664	5.8
185.13272	0.3
186.07689	0.3
193.12183	0.9
203.05147	0.4
211.13217	0.5
243.08325	2.3
251.12613	1.3
267.15695	0.5
307.15179	0.4
309.24344	0.3
335.25717	1.1
336.26141	0.3
391.82837	0.2
424.87143	0.2
469.20215	3.9
519.29150	7.3
519.36926	0.4
520.29712	0.5
568.37891	0.3
607.43262	1.4
747.42761	100.0
748.43048	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	747.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01866	0.6
55.05505	1.6
57.03421	1.8
60.08147	0.6
61.02914	5.7
63.13309	0.2
64.18474	0.3
67.05496	4.1
69.03419	3.1
69.07076	1.2
71.01369	0.3
71.04972	0.7
71.08627	0.3
71.62763	0.5
73.02907	3.6
79.05472	3.3
81.03407	3.9
81.07038	4.8
83.08594	1.7
85.02892	6.7
86.09692	4.0
87.04459	0.4
87.09989	0.4
91.03940	3.3
91.05473	3.4
93.07031	3.9
94.07365	0.3
95.04947	1.7
95.08591	3.1
97.02876	4.8
97.06497	0.3
97.10155	0.5
98.98482	0.2
99.04442	1.2
101.02374	2.2
102.53215	0.3
103.03962	0.3
104.10714	0.4
105.07022	2.4
107.04977	0.4
107.08575	2.1
107.94607	0.2
109.02867	0.7
109.06483	0.4
109.10167	1.1
110.20051	0.2
111.08115	0.6
115.03892	0.5
119.08564	1.8
121.10136	2.0
123.08054	0.4
123.11705	0.4
124.99968	2.1
125.09670	0.3
127.03887	1.6
129.05469	0.3
129.06995	0.9
131.08563	1.2
133.10068	1.4
135.11658	0.7
145.10135	0.6
147.11664	1.3
149.09599	0.6
157.10146	0.7
158.10545	0.3
159.11710	0.3
173.13322	0.5
175.11211	0.7
184.07318	12.2
185.04221	1.1
185.07695	1.9
193.12299	1.1
211.13309	0.6
235.23352	0.3
241.07089	0.3
243.08371	2.6
251.12621	1.1
281.92419	0.2
285.16959	0.4
307.15112	0.6
331.99832	0.3
335.25845	0.7
469.20425	8.5
519.29248	3.9
520.29565	0.2
548.40259	0.3
645.92780	0.3
712.57648	0.3
747.42780	100.0
748.43109	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	746.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38269	1.7
53.03931	4.3
55.01863	3.7
55.05508	19.7
57.03429	13.1
57.07069	11.9
57.33595	1.6
60.08154	2.0
60.59171	1.8
61.02914	3.4
66.18266	1.7
67.05164	2.3
67.05496	31.8
69.03410	5.2
69.06711	2.4
69.07061	26.8
71.04975	4.0
71.08645	3.5
79.05482	17.1
81.03410	38.8
81.07046	34.9
83.04968	11.0
83.08609	30.1
85.02895	17.7
85.06503	2.2
85.10154	3.6
86.09680	8.0
88.18272	1.6
91.05471	20.6
91.92944	1.8
93.07026	20.6
95.04961	16.7
95.08591	28.0
97.02866	5.3
97.06499	4.1
97.10126	10.5
99.08051	1.9
104.10677	1.9
105.07003	16.5
107.04924	5.4
107.08588	10.9
109.06507	4.7
109.10142	14.0
111.04425	2.9
111.08066	8.0
111.11688	2.5
113.06005	2.6
119.08578	13.6
121.10137	13.9
123.11694	3.0
124.99994	5.3
125.09564	2.4
126.82044	1.9
129.06970	5.3
131.08560	8.3
133.10165	8.3
135.11681	6.1
137.09558	2.1
145.10117	3.3
147.11696	9.3
149.09595	4.6
149.13171	1.9
157.10092	9.8
175.11203	11.2
184.07321	32.2
185.37289	1.8
190.27849	1.9
193.12221	30.2
195.00308	7.1
211.13289	43.8
212.13420	1.7
230.05544	3.0
267.15912	16.3
276.98904	1.7
285.16940	61.0
339.28897	63.2
467.37253	6.8
491.37021	3.1
496.51926	1.8
531.40381	13.9
549.41455	100.0
550.41766	5.5
575.39081	2.6
631.07922	2.0
697.36542	3.6
746.44147	9.7
747.39929	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	746.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28814	2.9
53.03932	3.9
55.01856	4.6
55.05504	22.6
57.03435	5.3
57.07069	61.2
65.03920	4.1
67.05495	68.3
69.07061	37.4
69.58336	8.0
69.58761	16.9
69.91194	2.9
71.04969	3.8
71.08632	41.6
79.05478	37.0
80.05009	2.8
80.71792	2.6
81.03421	6.0
81.07049	80.8
83.04961	11.2
83.08604	23.3
85.06513	4.6
85.10177	20.4
85.10941	3.4
86.09694	9.1
91.05457	40.8
93.07036	48.1
94.32865	2.8
95.04943	10.3
95.08596	66.6
97.06512	9.5
97.10152	11.5
98.98442	4.9
105.07003	31.0
106.22687	2.9
107.02380	3.0
107.08588	26.6
109.06497	8.1
109.10155	27.2
111.08070	3.5
117.07006	20.8
119.08541	25.5
121.10132	16.6
123.08073	3.6
123.11696	7.9
124.11212	3.5
124.99990	6.0
128.06273	3.4
129.06979	7.8
131.08578	14.6
133.10126	20.9
135.11662	9.9
142.02620	3.8
143.08571	5.0
145.10098	17.3
147.11638	10.6
149.09605	13.3
149.13243	7.5
157.10094	5.0
159.11665	13.0
161.13226	4.4
163.11139	10.1
171.11676	6.4
173.13303	5.9
177.12755	5.8
179.14314	7.0
184.07323	37.4
220.16959	15.4
235.60559	2.8
238.17886	7.3
239.18004	6.6
240.74522	2.8
257.18964	6.1
275.20126	17.6
282.27924	14.7
313.21454	5.2
313.27246	42.1
318.24393	4.3
336.15527	4.0
349.23703	7.8
392.18091	6.3
436.28201	3.4
467.37451	6.0
493.38678	34.5
507.40369	88.7
508.40842	5.0
514.55688	3.2
547.42993	7.4
569.45618	24.6
587.46606	100.0
587.56049	4.9
605.47540	29.5
616.40057	4.3
630.41162	39.8
710.47150	9.0
746.48553	5.3
747.56012	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	746.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17344	0.1
55.05499	0.2
56.05019	0.6
58.06616	0.4
59.07390	0.2
60.08152	6.8
67.05500	0.5
69.07056	0.2
69.89966	0.2
69.90378	0.2
71.06963	0.2
71.07357	2.9
71.08615	0.1
79.05480	0.3
79.61299	0.1
81.07032	0.3
83.08607	0.1
86.09689	31.6
87.09519	0.1
87.10008	0.4
90.43151	0.1
90.91524	0.1
91.05467	0.3
93.06992	0.4
95.04922	0.1
95.08585	0.2
97.06485	0.1
98.98447	2.8
104.10027	0.2
104.10719	2.7
105.07004	0.3
107.08584	0.2
109.10158	0.2
109.20874	0.1
119.08572	0.2
121.10136	0.2
124.99978	20.8
126.00331	0.2
131.08519	0.1
133.10135	0.2
135.11684	0.1
143.01022	0.3
145.10126	0.1
147.11691	0.1
149.13196	0.1
156.82010	0.1
156.83176	0.1
166.02548	0.1
173.09869	0.1
184.07303	100.0
185.07657	1.4
186.07764	0.1
235.19511	0.1
416.98618	0.1
468.23166	0.1
510.87299	0.1
518.32758	0.1
710.43842	0.2
712.95563	0.1
728.44800	13.5
729.45032	1.1
746.45233	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	746.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.1
55.05495	0.4
56.05018	0.6
57.03427	0.1
58.06616	0.5
59.07364	0.1
60.08152	6.0
65.86033	0.1
67.05499	0.9
69.07052	0.4
69.48867	0.8
70.06585	0.1
71.07358	2.9
79.05477	0.7
81.03400	0.2
81.07044	1.0
83.04969	0.2
83.08613	0.2
85.02884	0.1
86.09689	29.4
87.10022	0.4
91.05452	0.6
93.07020	0.6
95.04935	0.2
95.08588	0.4
97.06526	0.2
97.10186	0.2
98.98445	2.9
104.10728	2.3
105.07043	0.5
107.08559	0.5
108.08872	0.1
109.06480	0.1
109.10155	0.3
117.06983	0.2
119.08552	0.4
121.10128	0.2
124.99979	19.7
125.09602	0.2
130.21019	0.1
131.08525	0.1
133.10106	0.3
135.11621	0.2
143.01024	0.3
145.10118	0.2
147.11752	0.2
148.68228	0.1
149.09612	0.1
157.10065	0.1
166.02605	0.2
169.10098	0.1
173.13235	0.1
184.07303	100.0
185.07655	1.4
186.07803	0.2
225.80254	0.1
227.12785	0.2
228.13036	0.1
229.14394	0.1
239.16331	0.3
245.27652	0.1
255.16011	0.2
259.42972	0.1
269.17535	0.2
275.19937	0.2
349.23868	0.2
385.64325	0.1
419.28214	0.2
423.27600	0.1
433.29553	0.2
468.23169	0.2
482.93375	0.1
513.35400	0.2
531.36188	0.4
704.52216	0.1
728.44781	11.9
729.45142	1.2
746.43353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
54.25774	0.4
55.01858	1.0
55.05505	3.7
57.03431	3.1
57.07061	0.8
58.46060	0.4
60.08152	2.0
61.02914	5.8
65.03935	0.5
67.05162	0.9
67.05495	9.7
68.05842	0.9
69.03422	4.1
69.07059	2.9
71.04965	1.1
71.07367	1.3
71.62855	0.6
71.63244	0.5
73.02899	4.4
79.05474	6.3
80.05804	0.7
81.03404	2.5
81.07049	8.6
82.07372	0.8
83.04964	0.9
83.08614	2.8
84.08923	0.7
85.02892	6.2
86.09694	10.3
87.10031	1.9
91.03936	4.0
91.05481	3.8
93.07033	7.6
94.07356	1.0
95.04945	1.6
95.08591	7.2
96.08921	0.7
97.02878	5.2
97.06499	0.7
97.10152	1.6
98.98425	0.8
99.04456	1.0
101.02386	2.1
104.10690	0.8
105.07012	2.3
107.04939	0.6
107.08575	4.6
109.02871	1.1
109.06483	0.6
109.10139	4.3
110.10463	1.0
111.08055	0.8
115.03925	0.4
117.06998	0.7
119.08571	2.5
121.10115	3.4
122.10461	0.6
123.11720	0.6
124.99971	7.0
127.03889	1.6
131.08534	1.5
133.10118	1.2
135.11682	3.2
138.30746	0.4
145.10107	1.6
147.11716	1.0
149.13245	0.7
150.64198	0.4
156.58519	0.4
157.10112	0.6
159.11630	0.8
160.11131	0.6
163.11143	2.6
182.37102	0.4
184.07315	34.9
185.04222	0.5
185.07684	4.4
211.13409	0.6
219.09953	0.5
227.12790	1.3
243.08347	2.2
249.10950	13.5
258.08832	1.0
261.21954	0.4
270.17682	0.4
286.17264	0.7
305.13663	1.1
318.76801	0.4
324.94385	0.4
335.25781	1.9
336.26114	1.2
337.26410	0.9
338.26627	0.4
466.35956	2.8
467.18808	5.8
504.37347	0.6
519.29156	10.1
520.29724	0.6
530.39130	0.5
538.38391	0.6
545.37842	0.5
546.38849	0.7
547.39264	1.1
548.39441	2.8
573.49152	0.5
583.43616	1.6
745.41046	100.0
746.41388	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	745.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
55.01984	0.3
55.05374	0.7
55.05659	0.5
57.03288	1.3
57.03608	0.7
59.05146	0.3
61.02773	2.3
61.03131	1.3
67.05346	4.7
67.05746	1.7
69.03264	1.4
69.03668	0.5
69.06917	0.5
69.07272	0.5
71.01235	0.3
71.04848	0.6
71.62478	0.4
73.02751	1.7
73.03194	0.5
77.03698	0.2
79.05317	1.7
81.03233	2.9
81.03764	0.8
81.06879	2.6
81.07414	0.7
83.04799	0.8
83.08443	1.1
85.02718	4.3
85.03278	0.9
85.06420	0.4
86.09573	0.3
87.04321	0.3
91.03760	2.5
91.04377	0.4
91.05289	2.6
91.05911	0.6
93.06853	1.6
95.04761	1.4
95.08401	1.4
95.09072	0.4
97.02688	3.7
97.03384	0.6
97.06397	0.5
99.04284	0.7
100.49969	0.2
101.02167	1.5
103.03757	0.3
105.06818	1.9
107.04745	0.4
107.08369	0.9
109.02689	1.0
109.06368	0.5
109.09941	5.9
109.10765	0.8
111.04265	0.6
111.07862	0.9
115.03758	0.4
119.08356	2.4
121.06326	0.4
121.09905	1.0
123.04228	0.4
125.09493	0.3
127.03674	1.6
129.06821	0.7
131.08330	1.0
133.09889	1.1
133.10872	0.5
135.07899	0.4
135.11516	0.5
137.05833	0.4
137.09473	0.5
139.03763	0.5
142.69102	0.2
145.04765	0.4
145.06097	0.3
145.09865	0.7
146.96909	0.2
147.04214	0.7
147.11455	1.2
147.82275	0.2
149.09364	0.4
153.01628	0.5
153.12500	0.3
155.10495	0.3
157.09880	0.9
163.03650	0.8
163.10970	0.4
165.08934	0.3
173.11714	3.2
175.10925	0.8
175.14723	0.3
177.05244	0.3
184.07056	0.3
185.04007	0.5
193.12181	1.9
195.09895	1.2
195.11249	0.3
203.05112	0.3
211.13235	1.2
229.14236	1.9
231.22211	0.3
243.08382	2.3
251.12437	1.9
259.09503	0.5
260.09979	0.5
267.15445	0.3
285.16742	0.3
301.08719	0.3
307.14938	0.6
373.11517	0.3
373.18033	0.3
413.12311	0.6
413.17776	11.7
414.17935	0.3
448.27847	0.3
469.20361	12.9
470.21100	0.3
479.26160	0.9
501.22928	0.3
615.79761	0.2
641.31311	100.0
642.31659	4.8
699.35223	0.7
727.35187	0.8
745.35962	19.0
746.36304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03404	3.8
71.61797	2.9
81.03383	3.1
85.02886	6.1
97.02859	6.4
98.97546	1.8
99.03803	1.5
101.00848	2.0
103.05450	2.0
109.02866	1.7
118.01105	5.9
119.01891	9.3
119.04900	2.8
121.06503	2.4
123.04442	2.3
127.03892	2.5
129.64722	1.4
131.01907	7.9
131.04878	2.3
132.73163	1.4
136.06136	6.1
137.03004	2.1
137.05934	3.1
139.03888	2.1
142.01085	4.1
143.01865	4.2
145.03503	8.3
145.04547	1.6
147.04315	3.5
148.04884	1.5
149.05962	2.1
149.99762	1.3
155.01862	6.7
156.02632	3.6
157.03450	4.8
160.02130	8.1
161.02927	8.0
161.05917	2.8
163.03931	4.3
163.07407	1.8
167.07008	46.2
168.02635	3.4
173.02930	10.9
174.03848	1.8
175.04587	2.1
177.05420	11.0
178.01067	2.5
179.01788	1.6
181.08582	2.4
182.04193	1.6
183.05080	2.3
185.02986	3.8
186.03673	5.5
187.04509	2.1
191.06982	3.8
193.03563	2.1
195.04941	1.9
196.02187	9.1
197.02937	5.7
201.05977	2.3
203.03944	3.7
205.03491	1.8
207.04985	5.7
209.02895	2.0
209.08057	3.1
211.04460	11.4
213.02408	6.1
219.04959	1.8
221.03032	3.2
221.05028	11.5
222.03595	1.8
222.60300	1.7
223.04457	3.8
225.06042	39.4
226.03264	3.8
229.05486	12.1
231.03300	2.3
233.03058	2.4
234.03688	5.3
235.04451	6.5
236.05008	1.9
237.02490	8.6
237.06055	3.2
239.04053	2.6
240.04765	2.2
243.07080	8.2
244.04250	100.0
245.04878	7.6
246.03636	2.5
247.04494	5.0
248.05200	2.9
249.02412	3.8
249.06056	38.1
250.06511	2.1
251.03918	6.2
252.04701	11.2
253.05536	13.9
254.06224	2.0
255.03461	12.6
257.05035	3.0
258.05777	2.0
260.05145	2.9
261.02631	2.5
261.06027	8.8
262.05191	16.4
263.03934	6.5
263.07703	4.2
264.04877	1.9
265.05545	6.2
266.06357	9.7
267.03604	6.4
267.07089	59.7
268.07416	3.5
268.10306	1.7
270.05841	3.7
271.04507	3.9
274.06726	3.9
275.03854	1.7
275.07520	3.0
276.04724	4.9
277.05548	9.4
278.06262	3.9
279.03516	4.6
279.07111	16.4
280.07660	2.3
281.05026	9.4
281.08676	4.5
283.62787	1.8
285.04147	1.8
285.08099	5.3
288.04758	1.9
289.05527	9.3
291.03769	3.3
291.07004	20.2
291.14252	2.4
292.07449	3.2
293.08673	3.6
294.05713	16.6
295.06320	2.9
297.04538	2.7
297.07947	4.2
301.06042	1.8
303.06940	3.6
306.05804	2.9
308.07217	1.8
309.08154	42.0
310.08459	3.5
311.09586	3.0
318.05746	2.6
321.04556	4.6
321.08142	12.8
323.09842	3.0
327.09235	2.3
330.05786	4.4
332.09598	3.2
333.08255	3.4
336.06693	2.4
337.07608	15.0
339.05533	46.7
339.09244	9.9
340.05927	3.5
348.06799	3.8
349.08026	1.8
350.08487	3.6
351.09186	44.8
352.09796	2.6
355.08859	2.0
357.06619	15.3
366.07822	8.7
369.10291	3.5
378.07883	50.7
379.08023	2.7
380.08401	1.7
381.10016	3.9
385.07806	2.7
391.08905	2.3
393.10202	14.4
396.08939	11.1
399.11612	3.0
403.08746	4.0
411.11310	56.8
412.11459	4.3
417.08273	9.5
421.09528	5.7
429.12479	37.8
429.19022	3.4
435.09396	2.9
437.10736	1.9
452.13849	2.5
491.14206	2.1
501.10471	3.4
519.12299	3.1
535.14423	1.6
547.12701	1.8
565.13818	14.4
583.14807	8.3
697.17834	2.9
727.19177	73.8
728.19202	5.2
745.19843	96.9
746.19940	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	744.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01855	2.4
55.05501	20.7
57.03429	12.5
57.07070	4.4
59.04966	1.0
60.08146	2.7
61.02914	3.8
65.03918	1.9
65.10862	0.8
67.05493	56.8
68.05799	1.0
69.03414	3.9
69.07056	20.0
69.44530	1.7
69.44944	6.7
70.07408	1.0
71.04975	6.0
71.07352	1.2
71.08615	1.5
73.02897	1.3
73.76643	0.8
79.05479	31.3
79.59732	0.9
80.05836	0.9
81.02918	1.2
81.03403	43.2
81.07043	58.9
82.07383	1.2
83.04964	13.4
83.08601	26.7
84.08923	0.8
85.02891	19.8
85.06535	3.9
86.09689	13.5
87.04494	1.1
91.03919	1.6
91.05462	26.8
93.07028	28.4
95.04952	18.7
95.08589	36.7
96.08900	1.0
97.02872	4.6
97.06504	5.1
97.10141	7.9
98.93439	0.7
98.98454	1.2
99.04434	1.1
99.08082	1.9
105.06295	1.1
105.07013	17.8
106.07340	1.2
107.04993	4.3
107.08576	14.5
109.06500	4.4
109.10133	23.1
111.04423	2.1
111.08051	10.4
111.11703	2.1
113.05972	2.7
115.05440	1.7
117.06992	2.6
119.08565	19.1
121.06537	1.8
121.10133	14.6
123.08046	3.0
123.11662	5.9
124.99998	7.7
125.09605	1.5
129.06978	8.0
131.08546	10.1
133.06444	2.5
133.10109	13.5
134.10437	1.3
135.07968	1.0
135.11653	6.7
137.09624	3.1
137.13200	1.2
142.07803	1.5
145.10124	3.9
147.08052	1.7
147.11644	13.8
148.11919	1.4
149.09616	5.3
149.13181	2.5
157.10089	10.2
159.11687	2.3
161.13240	2.4
163.11208	1.2
163.14777	1.9
165.12756	2.6
167.36913	0.8
173.11813	1.3
173.13228	1.6
175.11148	10.8
175.14783	1.5
184.07304	38.7
193.10410	1.7
193.12209	26.9
209.11868	0.8
211.13257	50.2
249.14804	1.0
261.21964	1.5
263.23660	1.4
267.15894	14.6
269.17355	1.1
285.16910	63.7
286.17249	2.1
287.15109	1.1
287.18445	1.9
335.25830	5.1
336.26227	1.3
337.27313	59.3
338.27554	1.7
413.81174	1.0
465.35547	2.8
489.35669	12.6
490.36002	1.9
515.37225	2.1
528.26440	0.9
529.38885	12.1
537.37787	1.6
546.39014	1.2
547.39874	100.0
548.40295	5.6
555.38910	1.2
572.47449	1.8
744.44568	2.5
745.40906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01859	1.5
55.05253	1.2
55.05502	16.5
57.03432	7.5
57.07063	2.7
59.04999	3.6
60.08150	1.8
61.02913	2.9
65.03927	2.1
66.83593	0.5
67.05490	100.0
68.05817	1.8
69.03409	2.5
69.07057	14.3
69.54466	5.4
71.04979	20.5
71.08605	1.1
73.02902	0.7
79.05476	31.6
81.03410	3.4
81.07039	42.4
83.04972	5.0
83.08597	10.6
85.02894	4.7
85.06536	3.2
86.09701	5.9
91.03930	1.6
91.05462	22.2
92.05772	0.9
93.07024	45.1
94.07367	0.9
95.04943	6.1
95.08588	32.9
97.02876	1.8
97.06525	4.9
97.10139	4.6
98.98432	1.1
99.04466	0.7
99.08070	1.2
105.04479	0.9
105.07014	11.0
107.04942	0.8
107.08567	19.0
109.06512	2.3
109.10135	71.3
110.10466	1.2
111.08058	3.6
111.11704	0.7
117.06979	5.4
119.08557	17.7
121.10120	18.5
123.08071	1.1
123.11687	2.6
124.99986	4.6
125.09647	1.3
128.58968	0.6
129.06981	0.6
131.08546	7.0
133.10092	7.2
135.08020	1.0
135.11653	16.4
137.09589	9.2
143.08513	1.4
145.10112	8.3
147.11671	5.2
149.13239	4.1
151.11116	0.7
155.10614	2.0
157.10085	0.8
159.11693	2.8
161.13185	3.4
163.10030	0.6
163.11095	3.5
163.14790	1.3
165.12726	1.0
169.12257	1.2
171.11673	1.1
172.28250	0.6
173.11732	8.2
173.13261	2.2
175.11171	1.3
175.14870	1.1
181.12215	1.7
181.71384	0.6
183.11707	0.7
184.07306	19.5
187.13283	1.0
187.14742	1.5
193.12244	1.4
201.16310	1.0
211.13228	2.6
213.14853	1.8
225.16319	0.7
227.12811	0.8
229.14363	1.4
241.19608	0.9
243.15880	2.1
243.20908	0.8
255.15898	4.9
256.69330	0.6
261.22165	3.1
285.16983	2.3
287.18484	18.6
317.24924	0.8
335.25726	27.3
336.26025	1.3
337.27234	2.3
397.30920	0.7
465.35730	4.9
471.34427	2.8
489.35663	97.5
490.35974	5.8
503.36938	3.2
504.37726	0.9
505.37970	2.5
515.37158	15.8
516.37512	0.9
529.38953	1.0
533.38403	0.9
537.38129	1.0
547.39856	85.3
548.40137	5.1
555.38831	2.5
572.47498	1.1
744.44141	0.9
745.40796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01646	0.7
55.01867	6.9
55.05502	21.2
57.03431	17.8
57.07059	1.4
59.52304	0.6
60.08151	6.4
61.02903	2.6
63.05753	0.7
65.03929	2.1
67.05495	59.0
69.03428	5.5
69.07059	25.7
69.07444	0.9
69.50676	6.5
71.01328	4.3
71.04980	6.0
71.07349	2.4
71.15029	0.8
73.02888	1.3
77.03932	0.9
79.05482	52.5
81.03405	11.0
81.07043	50.5
83.04970	14.1
83.08611	10.6
85.02898	5.6
85.06525	4.5
86.09691	29.8
86.10223	1.3
91.03915	0.9
91.05464	34.7
93.07028	61.1
95.04941	8.8
95.08591	20.4
97.02871	3.8
97.06515	21.2
97.10150	15.4
98.98450	2.4
99.04425	1.7
99.08065	2.0
104.10715	2.2
105.04485	0.9
105.07014	22.9
107.04938	7.0
107.08578	45.6
109.02878	1.2
109.06503	5.0
109.10140	10.0
111.04410	0.9
111.08060	4.5
111.11670	1.6
113.09602	1.4
117.07004	12.7
119.08561	19.3
121.06483	4.1
121.10117	14.0
123.04386	0.8
123.08031	2.8
123.11672	2.2
124.99989	18.1
125.09612	7.3
127.03898	2.1
129.05460	1.3
129.06950	2.8
130.07809	0.7
131.04846	0.7
131.08543	11.7
133.06467	1.0
133.10114	15.5
135.08029	2.7
135.11671	45.5
136.11998	1.3
137.09593	2.4
137.13231	1.0
139.07561	0.7
141.06938	1.5
143.08540	2.9
145.06454	0.8
145.10101	19.8
147.07994	1.3
147.11649	6.9
149.09595	11.8
149.13245	6.1
151.11174	1.0
153.12674	1.1
155.08546	1.8
157.10106	2.8
159.11649	7.5
160.11148	1.7
161.09628	1.4
161.13272	3.2
163.11145	12.1
164.32304	0.6
165.12712	1.1
169.10059	1.2
171.11632	2.2
173.04413	1.9
173.09575	0.8
173.13229	4.2
177.12715	2.4
179.14270	2.4
181.12202	11.1
183.11728	1.3
184.07315	100.0
185.07742	0.9
187.11082	1.5
187.14821	0.9
189.11160	3.4
193.12372	0.8
195.11916	0.6
195.13771	2.0
196.35440	0.7
197.13310	1.6
199.13239	1.4
227.12746	13.0
229.19386	1.2
231.13782	0.8
234.89694	0.7
239.17862	2.8
247.20572	1.1
255.15875	74.0
256.16223	1.4
257.18985	9.0
258.08875	1.8
265.14297	0.8
267.15765	1.3
269.17490	8.8
275.20032	25.8
293.21027	2.1
321.24014	0.9
331.22675	2.5
349.23669	18.9
351.21698	1.7
352.43478	0.7
367.24695	1.0
409.25613	2.6
425.25247	6.5
433.29495	2.7
435.27396	20.5
449.28922	69.2
450.29095	2.3
473.28970	1.0
489.32211	1.4
501.35522	1.0
511.34030	2.5
529.35193	45.1
530.35461	2.9
547.36334	9.2
569.28973	1.3
593.33252	2.3
691.39374	0.8
726.43469	4.2
744.43799	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	744.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.01865	4.8
55.05254	1.1
55.05502	15.7
56.09684	0.7
57.03431	13.6
57.07059	2.4
60.08148	4.6
61.02900	2.6
62.99390	0.5
65.03923	2.1
67.05495	51.3
69.03420	3.7
69.07059	17.6
69.67751	4.6
71.01356	3.6
71.04992	4.5
71.07351	1.6
73.02875	0.6
79.05482	45.0
81.03407	8.5
81.07046	43.6
83.04970	10.2
83.08618	9.4
85.02887	4.3
85.06523	5.0
86.09695	21.7
86.10229	0.9
91.03931	0.8
91.05468	27.8
93.07029	52.8
94.07362	0.9
95.04954	8.4
95.08593	16.5
97.02868	2.6
97.06525	14.0
97.10158	9.3
98.98438	1.3
99.04444	1.5
99.08057	2.8
103.05441	0.9
104.10736	2.1
105.07021	16.3
107.04942	4.1
107.08580	38.7
109.02863	0.8
109.06508	4.1
109.10126	8.9
111.04427	1.0
111.08086	4.1
113.05994	0.6
113.09631	0.7
115.05409	1.1
117.06999	9.7
119.08565	13.4
121.06488	2.5
121.10133	11.4
123.08051	2.9
123.11653	2.2
124.62659	0.6
124.99985	15.0
125.00872	1.2
125.09615	2.5
127.03915	1.7
129.07019	3.1
130.07843	0.7
131.08553	8.6
133.10112	12.8
135.08031	3.5
135.11671	39.5
136.80008	0.6
137.09590	3.1
139.11174	0.7
141.06984	1.0
143.08533	2.4
145.06465	0.8
145.10098	13.0
147.11667	5.4
149.09590	6.2
149.13237	7.2
151.11118	1.5
153.12674	1.0
155.08533	1.2
157.10097	1.9
159.11670	7.0
161.09634	0.8
161.13231	2.5
163.11162	7.6
165.09097	0.6
169.10056	1.2
171.11670	2.1
173.04401	0.9
173.13263	2.7
175.11197	1.8
177.12741	2.7
179.14279	2.0
181.12213	8.2
183.11757	1.0
184.07315	79.0
187.11252	0.7
195.13725	3.2
197.13220	1.5
199.13261	1.4
201.12546	0.7
211.13148	1.2
211.15015	0.7
213.14781	1.0
217.15782	0.8
227.12904	1.2
229.19513	0.7
239.17912	1.7
247.20616	0.6
253.14268	0.9
255.15869	59.8
256.16183	1.9
257.19000	4.4
263.20032	0.7
267.15900	2.2
269.17410	14.3
275.20059	13.0
285.17078	1.5
293.21072	1.6
313.64911	0.6
337.23654	1.8
349.23715	10.3
367.24710	1.6
409.25699	0.9
425.25418	1.4
431.27942	1.5
435.27396	21.6
436.27679	1.1
449.28937	100.0
450.29224	3.4
451.26309	0.6
501.35733	0.8
511.34464	1.3
529.35175	22.5
530.34424	0.9
547.36298	9.1
593.33167	2.1
726.43036	2.0
744.44427	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	744.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87284	0.1
53.16454	0.1
55.05484	0.1
56.05022	0.6
58.06610	0.4
60.08152	6.2
67.05489	0.4
69.03442	0.1
69.07072	0.1
69.68511	0.4
70.06592	0.2
71.04959	0.1
71.07364	3.1
73.39744	0.1
79.05478	0.3
81.03383	0.2
81.07034	0.2
83.04970	0.1
83.08618	0.1
86.09691	31.7
87.10008	0.2
91.05456	0.4
93.07024	0.2
95.04936	0.1
95.08574	0.3
98.20773	0.2
98.98447	2.9
104.10725	2.5
105.07027	0.3
107.08588	0.2
109.10135	0.1
119.08578	0.2
124.99984	21.3
131.08574	0.1
133.10120	0.2
135.11629	0.1
143.01045	0.4
145.10144	0.1
149.09595	0.1
159.11789	0.1
166.02620	0.1
175.85965	0.1
184.07309	100.0
185.07655	1.0
294.30606	0.1
324.11636	0.1
516.30927	0.1
579.44324	0.1
726.43274	11.7
727.43756	0.7
744.44269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01871	2.3
55.05263	0.7
55.05505	11.7
56.05021	0.9
56.72506	0.4
57.03182	0.7
57.03431	9.1
57.07050	2.0
58.06597	0.6
60.07868	0.6
60.08156	6.4
61.02918	2.6
65.03938	1.2
67.05497	37.4
68.05818	0.7
69.03413	2.6
69.06715	0.8
69.07060	12.5
71.01341	1.8
71.04974	3.3
71.07357	3.8
71.08613	0.4
73.02908	1.0
77.03917	0.8
79.05484	32.9
80.05816	0.5
81.03413	6.0
81.07049	28.3
82.07386	0.6
83.04970	7.5
83.08601	4.6
85.02892	3.1
85.06566	2.3
86.09696	32.0
87.10026	1.1
91.03925	1.2
91.05471	27.6
92.05799	0.9
93.07033	38.8
94.07331	0.7
95.04952	6.3
95.08595	15.1
97.02883	2.3
97.06517	9.1
97.10162	4.9
98.98485	2.7
98.99007	0.5
99.04427	1.3
99.08084	2.5
103.05435	0.7
104.10728	2.5
105.07018	22.1
107.04964	2.9
107.08580	23.2
109.06530	2.8
109.09451	0.5
109.10143	6.5
111.04433	1.1
111.07432	0.4
111.08053	2.4
115.05420	0.8
117.06997	8.7
119.08564	18.2
121.06477	2.3
121.10132	9.4
123.08049	2.0
123.11683	1.6
124.99990	20.8
125.09577	2.1
127.03914	1.4
128.06244	0.7
129.05464	0.8
129.06952	3.2
130.07787	1.2
131.08553	8.1
133.06506	0.6
133.10114	15.3
134.10411	0.8
135.08061	2.0
135.11679	29.0
136.12015	0.4
137.09570	2.4
141.06914	0.5
143.08557	2.9
145.06424	0.6
145.10106	12.0
147.08032	0.9
147.11656	11.1
149.09605	4.1
149.13255	5.8
151.11148	2.0
153.12714	1.4
155.08528	1.0
157.10133	3.3
159.08018	0.6
159.11664	7.9
160.12070	0.5
161.09575	1.1
161.13243	5.8
163.11156	5.7
169.10114	1.1
171.11638	3.5
173.04355	0.4
173.13239	4.1
175.11143	1.0
175.14832	3.1
177.12740	1.8
179.14236	0.8
181.12222	6.9
183.11765	1.1
184.07318	100.0
185.07690	3.0
185.13237	2.9
186.07791	1.0
187.11147	0.5
187.14693	0.8
195.13814	1.5
197.13280	0.7
199.13252	0.9
199.14836	0.6
207.13870	0.5
217.15901	0.6
227.12663	0.8
231.21051	0.8
239.17937	1.0
241.19485	4.8
243.21016	0.6
244.45874	0.5
247.20558	0.6
253.14351	3.7
254.14705	1.1
255.15881	35.3
256.16180	0.7
257.19095	2.7
259.20541	18.9
260.20898	0.5
261.15048	0.6
261.22195	0.7
269.17447	5.6
270.56339	0.5
273.18442	0.7
275.20047	6.3
291.19516	0.9
293.21051	0.6
305.20578	0.5
315.23129	1.5
331.22733	0.9
333.24182	9.4
349.23505	2.7
367.24481	0.5
421.30838	1.4
431.28040	0.8
439.31992	1.0
449.28989	18.8
461.28900	1.0
495.34558	1.0
513.35645	14.9
529.35083	3.1
531.36792	5.3
546.34833	0.8
547.35730	2.3
572.47516	1.1
603.46204	0.8
648.53497	0.5
726.44653	1.3
744.44427	5.6
745.41333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94259	0.1
55.05497	0.1
56.05021	0.5
58.06621	0.4
59.07376	0.1
60.08154	6.1
61.45152	0.1
63.60604	0.1
67.05481	0.3
69.07043	0.1
70.06570	0.1
71.04898	0.1
71.06966	0.2
71.07362	3.2
71.63088	0.1
78.59441	0.1
79.05485	0.3
79.34708	0.1
79.99995	0.1
80.16641	0.1
81.07038	0.3
83.04969	0.1
83.08611	0.1
86.09693	30.1
87.10019	0.2
91.05455	0.3
93.07048	0.2
95.04965	0.1
95.08617	0.1
97.06519	0.1
98.98450	2.6
104.10732	2.5
105.07005	0.2
107.08556	0.1
109.06555	0.1
109.10156	0.1
110.15667	0.1
117.07008	0.1
119.08563	0.2
121.10159	0.1
124.99986	19.6
125.47606	0.1
126.00307	0.1
131.08557	0.1
133.10094	0.1
139.45744	0.1
143.01013	0.3
150.48619	0.1
166.02698	0.2
166.58443	0.1
178.52788	0.1
184.07314	100.0
185.05269	0.1
185.07678	1.0
468.23444	0.1
523.47125	0.1
572.47546	0.1
708.42291	0.1
720.74744	0.1
726.43286	10.4
727.43457	0.8
744.43970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01870	0.7
55.05502	4.1
57.03432	2.0
57.07073	1.2
61.02919	5.2
65.03926	0.4
67.05501	8.4
69.03420	3.4
69.07060	3.8
71.04986	0.5
71.08623	0.8
71.62971	0.7
73.02908	4.1
79.05487	6.0
81.03409	5.5
81.07057	7.6
82.03741	1.1
82.07378	0.4
83.04974	1.2
83.08619	4.2
84.08981	0.7
85.02901	5.6
85.06535	0.5
86.09718	1.2
87.04451	0.7
91.03961	2.8
91.05479	4.3
93.07037	5.2
95.04957	2.6
95.08593	5.1
97.02890	4.2
97.06547	0.5
97.10175	1.6
98.10503	0.7
99.04469	1.1
101.02396	1.8
105.07027	3.7
107.04954	0.7
107.08589	2.9
109.02882	0.9
109.10174	2.1
117.06986	0.9
119.08585	2.3
120.08859	0.4
121.06490	0.5
121.10143	2.3
123.08117	0.6
125.00008	0.9
127.03946	1.6
129.07027	1.0
131.08603	1.4
131.32437	0.4
133.10124	1.6
135.11702	1.0
145.10146	1.3
147.11673	2.2
149.13264	0.8
157.10161	0.6
158.10497	0.4
159.11678	0.7
161.13245	0.4
173.13419	0.5
176.11639	0.3
184.07335	3.5
185.04268	0.6
193.12390	0.9
243.08334	2.0
247.13074	1.8
277.21646	0.6
311.26074	0.6
335.25839	1.0
465.20782	4.9
503.37415	1.8
504.37619	13.2
519.29236	6.4
571.47095	1.8
743.43317	100.0
744.43561	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	742.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01851	3.9
55.05258	1.8
55.05505	24.5
57.03425	17.3
57.07071	6.6
59.04980	1.3
61.02908	7.6
61.88330	1.0
65.03931	2.9
67.05495	75.8
68.05810	1.6
69.03413	5.4
69.07059	35.1
69.37922	3.6
69.38341	9.0
71.04975	5.7
71.08609	4.1
72.41158	1.2
73.02911	3.0
79.05482	46.6
81.03405	23.1
81.07045	78.9
83.04964	6.7
83.08611	20.3
85.02893	8.8
85.06519	4.6
86.09686	5.9
88.35054	1.2
91.03928	1.7
91.05465	46.8
93.07027	50.0
95.04957	24.8
95.08591	50.7
97.02890	4.4
97.06514	8.5
97.10146	7.9
98.98430	1.3
99.04480	2.4
99.08021	1.4
105.07011	29.8
105.07671	2.3
107.04923	5.3
107.08575	30.2
109.06512	8.6
109.09436	2.0
109.10136	22.3
111.04436	1.1
111.08061	5.2
111.11714	2.7
113.05976	3.0
114.28719	1.2
117.06985	6.1
119.08558	26.2
121.09307	1.9
121.10117	22.9
123.08060	2.8
123.11699	8.0
124.99966	4.7
125.09588	1.5
128.06166	1.4
129.07004	8.6
131.08539	15.9
133.06473	1.8
133.10117	20.4
135.08049	2.9
135.11682	20.7
137.09621	2.8
137.13222	2.3
139.11183	1.4
143.08546	1.3
145.10115	9.7
147.08040	1.2
147.11678	16.3
149.09590	3.9
149.13235	6.0
151.11160	3.4
157.10114	10.6
159.11655	4.9
161.13229	3.7
163.09863	1.4
163.11134	10.0
163.14795	3.5
165.12711	2.9
171.11681	1.6
173.13246	5.5
175.11157	10.6
175.14767	2.0
181.12248	1.7
184.07323	24.5
185.13220	2.0
187.14920	2.3
193.12239	10.8
211.13345	6.7
219.92148	1.3
227.12762	7.8
227.16219	1.4
229.14137	1.6
241.19504	1.7
243.21072	4.1
249.14713	1.5
255.83244	1.2
261.22095	11.2
267.15823	13.7
282.30963	1.4
283.15369	14.7
285.16922	70.9
286.17322	2.3
303.23163	2.1
308.29547	1.6
311.25742	1.6
317.24841	3.0
335.25754	100.0
336.26147	2.2
337.27332	12.9
408.63242	1.4
435.32510	2.7
453.33377	5.0
466.35867	4.0
471.34564	2.8
503.37241	49.0
504.37704	3.4
527.37378	10.6
542.67444	1.5
545.38300	66.6
546.38617	3.7
563.39136	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	743.2014
Annotation	Quercetin 3-(2R-apiosylrutinoside)
Peak:m/z	Relative Intensity
53.03945	0.2
55.01854	0.3
55.05522	0.2
57.03429	2.0
59.04982	0.1
61.02916	0.6
63.16161	0.1
67.05519	0.1
68.99807	0.2
69.03420	2.1
69.72906	0.7
71.01341	0.3
71.04982	7.4
73.02902	1.8
75.04476	0.5
79.05510	0.1
81.03390	0.5
83.04964	1.2
85.02891	13.0
87.04443	0.5
91.03921	0.2
93.03397	0.2
95.04957	0.3
97.02876	3.0
99.04446	0.4
101.05972	0.1
103.03933	0.2
107.04956	0.1
109.02845	0.7
111.00767	0.6
111.04401	0.9
113.02380	0.1
115.03908	1.3
121.02833	0.4
123.04418	0.4
127.03887	1.1
129.05460	3.3
133.04910	0.2
135.04387	0.2
137.02304	2.1
137.06001	0.1
139.03854	0.2
145.04912	0.8
147.06497	1.7
149.02327	0.3
149.04465	0.1
153.01793	2.0
157.04924	0.2
161.06064	0.2
163.03859	0.5
163.05991	0.2
165.01811	1.2
165.05495	0.1
165.07610	0.1
165.36508	0.1
166.02693	0.2
171.06531	0.2
177.05440	0.1
179.03394	0.1
179.07071	0.1
183.02867	0.6
183.04335	0.2
185.16991	0.1
187.03923	0.2
195.02887	0.3
201.05478	0.7
211.97603	0.1
215.03369	0.1
219.02870	0.2
219.06479	0.3
225.07536	0.9
228.04155	0.2
229.04932	2.6
242.87843	0.1
243.08649	0.4
247.05826	0.6
257.04407	2.0
274.04614	0.6
275.05270	0.2
279.10657	0.2
285.03894	1.1
287.05460	0.3
302.03995	0.1
303.04941	100.0
304.05264	2.1
315.05057	0.2
322.13583	0.1
345.05951	0.5
369.05881	0.2
415.02896	0.1
435.09503	0.2
449.10690	0.1
465.10245	2.7
466.10049	0.1
597.14148	0.1
610.24518	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	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
53.29412	0.6
55.01842	2.2
55.05259	0.7
55.05503	12.2
57.03429	8.8
57.07054	2.1
60.08154	4.8
61.02913	1.7
65.03916	1.7
66.16715	0.6
67.05495	44.7
68.05827	0.7
69.03406	1.1
69.06710	1.0
69.07058	15.6
71.04987	3.8
71.07351	2.8
71.08620	0.6
71.12804	1.4
73.02917	1.1
79.05482	35.1
81.03412	4.2
81.07047	56.4
82.07368	0.9
83.04974	4.3
83.08611	9.7
85.02869	2.8
85.06065	0.6
85.06506	3.2
86.09695	27.3
87.04410	0.6
91.05469	35.9
92.05770	1.0
93.07031	52.3
94.07326	1.0
95.04961	6.5
95.08595	22.9
97.02890	0.9
97.06513	6.4
97.10154	2.7
98.98443	2.7
99.08075	2.3
104.10733	1.6
105.04538	0.7
105.07017	33.0
106.07331	0.8
107.04918	1.4
107.08579	28.5
109.06490	2.3
109.10149	8.3
111.08081	4.9
113.09663	0.8
115.05440	1.6
117.06997	10.1
119.08569	26.1
121.06450	1.4
121.10126	18.1
123.08044	1.5
123.11703	3.1
124.99991	19.2
125.09669	0.8
128.06107	0.7
129.07007	6.4
131.08545	15.9
133.06554	0.7
133.10110	26.0
134.10509	0.6
135.08035	2.5
135.11674	12.3
137.09550	1.1
139.11169	1.1
143.08551	5.2
144.73433	0.6
145.06438	0.8
145.10103	10.5
147.11662	23.8
147.90971	0.6
149.09573	2.2
149.13234	18.1
151.11182	0.9
155.08559	1.4
156.09167	0.7
156.66043	0.7
157.10109	6.2
159.11676	16.7
161.09589	0.6
161.13235	15.0
163.11148	1.3
163.14793	1.8
165.12796	1.1
167.14198	0.8
169.10124	1.6
171.11687	6.9
173.13255	6.4
175.11140	1.1
175.14799	7.3
177.12741	4.3
183.11642	1.1
184.07317	100.0
185.07751	1.4
185.13202	5.3
187.14790	2.5
189.12836	0.8
189.16394	0.8
193.12248	0.9
195.13776	6.9
197.13225	1.1
199.14780	3.3
203.14201	0.7
205.15903	0.9
209.13333	0.7
213.16525	1.0
215.18027	1.1
223.14830	0.8
229.29781	0.7
231.17412	0.8
231.21094	2.9
241.19489	15.8
243.21132	1.1
251.20908	0.6
257.18961	1.5
259.20538	45.3
260.20914	1.5
261.22070	2.1
267.15869	10.1
269.17435	54.9
270.17838	1.9
275.20032	0.8
277.21631	0.7
285.16907	1.3
301.16370	1.1
313.21805	0.7
315.23074	4.0
333.24185	34.6
334.24512	1.1
335.25986	3.0
336.26050	1.3
373.64127	0.8
394.16980	0.6
435.32425	3.5
453.33481	2.7
471.34781	3.2
509.36316	2.4
517.39026	1.2
527.37268	48.6
528.37518	2.8
532.52795	0.8
544.37512	1.1
545.38342	17.3
546.38416	1.5
562.37836	2.4
635.39124	0.9
710.43896	3.6
742.44305	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96872	1.3
53.03929	3.0
55.01855	4.2
55.05501	21.4
57.03426	11.2
57.07064	3.2
59.83460	1.3
60.08152	5.1
61.02913	3.0
65.03920	2.9
67.05494	70.4
68.05814	2.7
69.03412	2.9
69.07056	18.9
69.97282	5.1
69.97688	2.5
71.04964	2.3
71.07367	2.8
72.42378	1.2
73.02971	1.6
77.03893	1.4
79.05481	51.9
79.05946	2.9
81.03403	16.0
81.07043	77.0
82.07350	1.5
83.04964	5.8
83.08611	13.8
85.02893	5.0
85.06537	4.0
86.09206	2.1
86.09694	28.4
87.04475	1.7
91.03951	1.6
91.05465	46.5
92.05763	1.7
93.07028	60.4
93.07623	2.9
95.04961	10.7
95.08592	33.2
97.02886	2.3
97.06523	8.5
97.10157	6.0
98.98454	3.4
99.08069	3.2
104.10741	1.8
105.07013	39.9
107.04934	3.7
107.07858	2.0
107.08580	38.2
109.06499	5.7
109.10143	12.2
111.04423	1.5
111.08066	5.4
115.05422	1.6
117.07010	17.4
118.74593	1.4
119.08564	29.9
120.08881	1.9
121.06512	3.7
121.10130	25.4
123.08025	2.2
123.11701	3.2
124.99988	17.4
125.09571	3.8
129.07013	6.8
131.08549	22.6
133.10103	31.9
135.08025	2.8
135.11674	16.2
137.09665	1.4
139.07318	1.6
142.07776	1.9
143.08501	3.0
145.10075	12.6
147.11679	22.6
149.09613	3.6
149.13245	13.1
151.11171	1.9
157.10068	7.3
159.11678	13.7
161.13199	12.5
163.11133	2.0
163.14836	2.7
169.10164	2.3
171.11696	6.8
173.13225	8.0
175.11118	2.9
175.14807	5.4
177.12755	2.3
184.07312	100.0
185.13284	3.8
187.14734	2.9
193.12206	3.7
195.13774	9.1
199.14755	3.2
201.16469	1.8
213.14749	2.8
227.12758	3.3
229.14313	1.9
231.21057	3.7
241.19524	11.7
243.21062	2.0
259.20523	42.7
261.22134	4.7
267.15863	19.5
269.17429	53.1
275.19904	1.7
277.21631	1.8
285.17001	2.9
301.25134	1.4
315.23007	3.2
317.24548	1.4
321.24155	1.6
333.24210	49.5
335.25793	17.0
336.26047	2.2
435.32666	2.9
453.33441	3.3
509.36526	2.1
527.37262	52.5
528.37866	2.2
545.38214	23.3
546.38696	2.5
710.43042	3.7
742.43872	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62342	0.8
53.03934	2.8
55.01862	2.2
55.05503	16.0
57.03176	1.3
57.03428	12.4
57.07052	1.8
61.02910	2.4
62.54524	0.8
65.03931	1.9
67.05495	43.4
69.03417	3.2
69.07052	11.8
70.21834	3.2
71.04972	3.2
73.02917	1.9
77.03888	0.9
79.05479	33.5
81.03404	39.7
81.07041	42.5
83.04964	11.9
83.08607	16.6
85.02894	17.5
85.06519	2.4
87.04483	0.9
91.03935	1.0
91.05465	29.1
93.07026	34.6
95.04958	18.8
95.08585	29.1
97.02883	3.2
97.06498	4.2
97.10134	5.1
99.08083	2.2
103.04003	0.8
105.07016	18.3
107.04939	4.0
107.08573	15.6
109.06506	2.9
109.10130	12.5
111.04436	1.2
111.08058	7.2
113.05994	1.4
115.05448	1.6
117.06947	4.0
119.08564	16.8
121.06484	0.8
121.10121	17.5
123.08083	2.3
123.11691	3.3
125.09570	1.1
128.06201	1.1
129.06989	7.0
131.08549	15.1
133.06483	1.3
133.10100	13.5
133.11061	0.9
135.11674	7.7
137.09642	1.2
137.13240	1.2
142.07770	2.1
143.08566	0.8
145.10100	5.2
147.08051	2.0
147.11655	12.0
149.09587	3.7
149.13226	4.1
157.10100	9.6
159.11705	2.8
161.13232	2.7
163.11159	1.3
163.14830	1.8
163.34497	0.8
165.12746	2.8
171.11758	1.0
173.13274	2.3
175.11162	10.8
175.14848	1.7
184.07385	1.0
187.14841	1.9
193.12215	31.2
211.13255	38.3
212.13628	1.1
243.21133	2.7
261.22113	8.0
266.64133	0.7
267.15854	12.6
285.16931	46.5
286.17230	1.5
317.24908	2.0
335.25742	82.0
336.26224	3.8
435.32748	2.4
453.33575	2.3
527.37268	13.1
528.38062	1.0
542.00757	0.8
545.38306	100.0
546.38812	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.0
55.01853	2.5
55.05496	18.9
57.03426	14.5
57.07053	0.8
59.04990	1.0
59.43301	0.7
61.02916	5.2
65.03916	3.1
67.05490	51.4
69.03418	4.1
69.07056	12.2
69.37424	4.6
69.37843	3.0
71.04976	5.0
73.02895	1.3
79.05478	37.1
81.03400	55.5
81.07037	53.6
82.07356	0.8
83.04964	14.6
83.08599	25.6
85.02885	24.3
85.03261	0.4
85.06517	2.7
91.03924	1.8
91.05461	35.3
93.07023	36.0
94.07324	0.8
95.04950	23.7
95.08587	33.4
97.02861	4.7
97.06536	4.7
97.10136	5.5
99.08066	1.4
104.81606	0.7
105.07010	26.6
107.04927	5.7
107.08574	21.4
109.06498	4.0
109.10134	14.4
111.04427	2.0
111.08064	9.5
113.05978	2.6
115.05453	0.9
117.06989	4.8
119.04827	0.7
119.08556	21.1
121.06457	2.1
121.09297	1.5
121.10121	20.5
123.08065	3.0
123.11691	5.5
125.09602	1.9
127.03825	0.8
127.07512	1.0
128.06349	0.7
129.06987	8.6
131.08545	16.0
133.06468	2.6
133.10104	15.9
135.11661	8.7
137.09593	2.5
137.13206	1.6
142.07730	2.4
143.08450	0.8
145.10092	5.5
147.08054	3.6
147.11655	18.5
149.09570	6.0
149.13246	4.2
153.99483	0.6
157.10089	13.9
159.11641	3.2
161.13220	2.7
163.11052	1.2
163.14806	1.6
165.12703	2.9
171.11652	0.8
173.13199	3.6
175.11140	12.7
175.14746	0.7
184.07312	0.8
185.13206	0.7
187.14801	1.9
193.12201	41.1
194.12704	0.9
201.16379	0.9
211.13240	69.9
212.13573	0.9
227.12750	1.0
243.21103	2.8
249.14864	0.9
253.41606	0.7
259.20563	0.7
261.22122	9.2
267.15854	16.5
267.18542	1.2
285.16907	80.2
285.85254	0.6
286.17325	1.9
301.25180	1.1
317.24701	2.3
335.25714	71.7
336.26215	3.5
417.32034	0.8
435.32541	2.4
453.33450	1.8
471.34628	1.4
527.37238	12.3
545.38263	100.0
546.38727	6.7
563.39972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
53.83842	0.6
55.01851	1.4
55.05254	1.2
55.05507	17.0
56.05848	0.8
57.03429	12.2
57.07062	2.8
60.08153	2.6
61.02927	3.4
63.68695	0.6
65.03939	2.0
67.05495	54.7
68.05824	1.2
69.03419	1.6
69.07058	21.2
69.35423	6.4
70.93674	0.6
71.04986	5.0
71.07368	0.8
71.08619	1.5
73.02898	1.0
73.06551	0.7
74.09690	1.8
74.72817	0.6
79.05480	35.1
81.03409	3.3
81.07048	100.0
82.07404	1.3
83.04975	5.9
83.08611	11.6
85.02888	4.5
85.06532	4.9
86.09696	9.1
87.10033	1.2
91.03961	1.1
91.04881	1.0
91.05468	30.9
93.07032	37.9
95.04948	7.0
95.08596	43.6
96.08931	0.8
97.02879	1.8
97.06516	6.8
97.10135	3.2
98.98436	1.1
99.04442	0.8
99.08070	4.0
101.06046	1.0
105.03379	2.3
105.04565	0.8
105.07018	35.4
107.04945	1.1
107.08581	23.8
108.08897	1.7
109.06504	5.0
109.10144	14.6
111.08069	2.4
113.06030	1.2
115.05450	0.8
117.07002	4.7
119.08563	31.1
120.08913	1.1
121.06483	1.4
121.10128	29.1
122.10479	0.9
123.08028	5.9
123.11688	27.8
124.99993	7.1
125.09567	0.9
127.00407	1.3
127.07556	2.2
129.07057	1.5
131.08549	9.0
133.10107	9.0
135.11691	9.9
137.09569	1.4
137.13234	2.4
141.09079	0.9
145.10104	7.6
146.10550	0.8
147.08012	1.3
147.11668	61.0
148.12036	1.1
149.05974	2.9
149.09627	1.3
149.13229	6.3
151.11148	0.9
151.14807	0.7
157.10127	3.9
159.11670	3.9
161.13243	3.3
163.11162	2.2
163.14789	3.0
164.11540	1.0
164.96642	0.6
165.12727	24.6
166.13100	0.8
173.13240	4.5
175.11176	2.7
175.14796	1.4
177.16364	0.9
183.13815	2.9
184.07318	29.8
184.08957	1.4
185.07684	5.0
186.07776	4.6
187.14848	1.7
189.16318	0.8
193.12233	2.2
211.13199	0.9
227.12776	0.9
229.14339	6.0
243.21045	5.4
261.22128	19.5
262.22406	1.3
267.15875	65.7
268.16000	1.4
269.17291	1.0
276.20834	0.9
279.23117	2.4
283.15384	5.4
284.15753	4.0
285.16928	91.7
286.17279	2.0
317.24759	4.0
335.25751	84.0
336.26169	6.8
337.26459	2.9
353.26901	3.6
355.17026	0.7
453.33490	1.8
471.34650	2.4
503.37167	1.9
527.37238	8.1
544.37134	1.4
545.38269	70.8
546.38647	3.7
550.27881	0.8
553.37286	1.2
563.39264	4.0
692.45770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37928	0.1
55.05497	0.3
55.54422	0.1
56.05023	0.7
57.03434	0.2
57.07067	0.1
58.06624	0.4
59.07379	0.2
60.08154	6.4
61.23434	0.1
65.03930	0.1
67.05493	1.1
69.07063	0.3
69.17220	0.1
70.06573	0.1
71.07360	3.1
79.05476	0.6
80.65704	0.1
81.03403	0.2
81.07044	0.8
83.04965	0.2
83.08614	0.2
86.09690	31.9
87.10014	0.3
87.26894	0.1
91.05457	0.6
91.73053	0.1
93.07039	0.7
95.04975	0.2
95.08587	0.4
97.06481	0.1
98.21470	0.3
98.98447	2.9
101.04622	0.1
103.31907	0.1
104.10728	2.9
105.07027	0.6
107.04922	0.1
107.08566	0.3
109.06470	0.1
109.10154	0.3
113.09653	0.1
116.99409	0.1
117.06985	0.2
119.08555	0.3
121.10126	0.2
123.08009	0.1
124.99984	20.5
131.08511	0.1
133.10103	0.4
135.11656	0.2
143.01021	0.4
145.10107	0.2
147.11685	0.2
159.11679	0.3
161.13217	0.1
163.11200	0.1
166.02649	0.2
171.11711	0.1
182.56511	0.1
184.07309	100.0
185.07698	0.9
227.19978	0.2
229.14658	0.1
229.83873	0.1
241.19641	0.1
269.17236	0.1
288.99585	0.1
333.24176	0.1
518.31897	0.1
527.36108	0.1
545.34851	0.3
724.45331	11.1
725.45911	0.9
728.97791	0.1
742.41931	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.05016	0.7
57.03419	0.1
58.06611	0.5
59.07375	0.1
60.08151	6.3
67.05492	0.4
69.03416	0.1
69.07040	0.3
70.06570	0.2
70.17764	0.1
70.81812	0.1
71.04958	0.1
71.07355	3.1
71.62810	0.1
76.91267	0.1
79.05470	0.4
81.03401	0.2
81.07028	0.4
83.08580	0.1
85.02898	0.1
86.09686	32.0
87.10026	0.4
91.05460	0.4
93.07021	0.3
95.04959	0.3
95.08592	0.3
97.06532	0.1
97.10196	0.1
97.24383	0.1
98.98442	3.3
102.03605	0.1
104.10719	3.2
105.07027	0.4
107.08561	0.2
109.06476	0.1
109.10152	0.2
117.06917	0.1
117.09330	0.1
119.08562	0.2
121.06454	0.1
121.10135	0.1
123.08048	0.1
124.99976	21.4
126.00298	0.2
129.06955	0.1
130.88950	0.1
131.08534	0.1
133.10117	0.2
135.08005	0.1
135.11644	0.1
139.03897	0.1
143.01036	0.4
143.26805	0.1
145.10115	0.1
147.11621	0.2
157.10080	0.1
159.11740	0.1
166.02602	0.1
171.11620	0.1
172.13326	0.1
184.07298	100.0
185.07654	1.1
204.06561	0.2
468.23499	0.3
514.29095	0.1
527.35345	0.1
532.30469	0.1
617.70300	0.1
724.41785	0.5
742.42737	10.2
743.43213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05026	0.7
57.03423	0.1
58.06614	0.5
59.07383	0.2
60.08155	6.4
61.23555	0.1
67.05498	0.5
69.03437	0.1
69.07053	0.2
70.06574	0.2
71.04987	0.1
71.07362	3.2
73.70403	0.1
79.05487	0.4
81.03410	0.3
81.07026	0.6
82.07365	0.1
83.04964	0.2
83.08601	0.1
85.02889	0.1
86.09692	30.8
87.10038	0.3
91.05471	0.6
93.07024	0.5
95.04954	0.4
95.08595	0.3
97.06544	0.1
97.10160	0.2
98.98445	2.7
99.34352	0.1
104.10724	2.8
104.11396	0.2
105.07009	0.5
107.08578	0.3
109.06491	0.3
109.10127	0.2
111.08053	0.1
113.05977	0.1
117.07021	0.1
119.08546	0.3
121.10136	0.1
124.99985	20.1
126.00296	0.1
129.06975	0.2
131.08545	0.2
133.10123	0.3
134.64989	0.1
135.08060	0.2
135.11722	0.1
137.09552	0.1
143.01051	0.3
145.10135	0.2
147.11684	0.2
159.11780	0.1
161.13249	0.1
163.04065	0.1
166.02654	0.2
182.15411	0.1
184.07310	100.0
185.07695	1.1
193.12135	0.1
201.16624	0.1
206.76160	0.1
255.15918	0.1
261.15686	0.1
270.64038	0.1
273.18381	0.1
291.19598	0.3
365.23065	0.1
468.23154	0.1
532.30157	0.1
545.34723	0.5
656.35614	0.1
701.28967	0.1
704.31586	0.1
724.41400	0.4
742.42786	9.1
743.44159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15474	0.7
55.01809	6.2
55.05446	17.1
55.05742	1.6
57.03369	12.4
58.30737	0.6
59.04956	1.2
60.18950	0.6
61.02867	0.8
65.03893	1.3
67.05431	24.7
67.05818	1.8
69.03422	5.7
69.06995	9.0
69.58537	0.7
70.06518	1.2
70.93592	2.0
71.01307	1.1
71.04986	5.7
72.08134	0.6
73.02850	1.6
74.24750	0.6
77.03867	0.9
79.05485	27.5
79.05906	1.5
79.29079	0.6
80.05739	0.9
81.03411	57.9
81.03859	3.1
81.07049	25.6
83.04973	8.2
83.08612	19.1
84.08033	0.6
85.02881	6.2
85.06460	2.2
86.09706	5.7
89.03924	0.7
91.05473	23.7
92.05692	0.7
93.07037	23.9
94.07260	0.7
94.72516	0.7
95.04962	26.0
95.08598	12.7
97.02882	5.0
97.06528	7.0
97.10160	16.1
99.04387	1.6
103.05361	0.7
105.03316	0.8
105.04404	0.9
105.07020	16.0
107.04941	21.4
107.08588	15.2
109.02859	3.3
109.06510	16.6
109.10143	9.1
110.06816	0.8
111.04445	3.3
111.08083	7.4
113.05949	0.8
115.05404	1.6
117.03296	0.8
117.07005	6.9
118.03596	0.8
119.04850	3.0
119.08571	14.1
121.02804	1.2
121.06490	14.0
121.10126	14.7
123.04417	3.8
123.08052	6.8
123.11623	1.6
124.99913	1.9
125.05924	1.6
125.09617	14.7
127.03904	3.7
128.06201	1.0
129.05394	3.0
129.07002	9.8
131.04829	3.0
131.08551	16.6
133.06488	6.5
133.10110	9.1
135.04395	1.8
135.08047	8.1
135.11594	3.1
137.05908	2.2
137.09595	5.0
138.76633	0.6
139.03838	1.6
139.11147	3.4
141.06886	2.2
142.07675	2.1
143.06995	1.3
143.08534	3.3
143.10623	0.9
145.02817	4.6
145.06491	6.3
145.10092	7.2
146.03070	0.9
147.04382	9.4
147.08023	5.4
147.11670	8.7
149.05936	1.0
149.09576	7.3
151.03818	1.4
151.07465	1.5
153.09102	3.9
153.12663	2.2
155.08556	3.4
157.06451	1.0
157.08647	1.4
157.10086	8.5
159.07962	2.0
159.11598	2.7
161.05858	1.3
161.09544	3.1
161.13211	1.2
163.03848	1.3
163.07454	1.2
163.11154	6.8
165.08997	2.1
165.12691	2.9
167.06956	1.4
167.08450	0.7
167.10567	2.0
169.10101	1.6
171.07988	1.8
171.10052	2.3
171.11610	2.7
173.05884	1.5
173.09540	2.0
173.11745	1.5
173.13194	3.2
175.07422	0.9
175.11156	8.1
175.14769	0.8
177.05447	9.9
177.12683	1.4
178.05707	3.1
179.10747	0.9
181.04886	0.8
181.10048	1.6
183.07990	1.0
183.11607	0.9
184.07338	10.3
185.09531	0.8
185.11604	1.8
187.11069	1.1
187.14757	1.3
189.09206	1.4
189.11125	7.7
189.12755	2.2
191.03322	1.9
191.10594	1.5
191.14256	4.1
193.12218	20.1
194.12538	0.8
195.11613	2.1
197.09532	0.8
197.13202	1.4
199.11171	1.5
199.13127	2.0
201.08911	1.0
201.12657	1.3
203.14308	1.0
205.08295	0.9
205.12172	2.0
209.11612	3.1
211.11311	1.2
211.13275	7.9
213.12596	2.1
215.10410	0.7
215.14272	2.3
217.12135	0.8
219.11818	0.8
219.13779	10.3
223.11166	1.3
223.13106	1.3
225.12813	1.2
227.12526	3.5
227.14665	1.1
229.14264	1.8
231.13811	1.0
233.15244	3.7
235.13184	1.3
237.12624	1.4
237.14771	0.9
239.14240	0.8
241.14232	1.4
243.13727	1.2
245.15372	1.1
249.14738	1.0
255.13707	2.4
259.13464	1.0
259.15469	7.0
267.15897	44.1
268.16266	1.6
273.14713	5.5
275.16336	1.7
285.16864	4.7
293.17419	5.5
301.16464	6.0
309.09512	0.9
309.16818	0.8
315.08496	1.0
317.15823	2.9
339.23099	1.9
349.21597	3.4
357.24316	3.2
367.22644	13.9
385.23737	19.8
386.24142	1.2
403.24692	8.2
433.25684	2.1
441.26364	7.8
451.27066	5.1
455.26605	1.7
459.27365	99.1
460.27682	6.7
461.28925	1.0
477.28430	100.0
478.28830	6.4
491.30060	9.9
492.30991	0.9
495.29456	9.8
501.28537	3.1
509.26352	0.9
509.31055	3.1
527.28461	6.2
555.30023	0.8
567.29449	2.1
603.31714	1.0
743.26855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
55.05502	1.0
56.05022	0.6
57.03429	0.6
57.07099	0.1
58.06619	0.5
59.04975	0.1
59.07397	0.1
60.08157	6.3
61.02898	0.2
65.03924	0.2
67.05496	1.9
67.22368	0.1
68.99767	0.1
69.03420	1.2
69.07051	0.4
69.43038	0.1
70.06593	0.2
70.75293	0.1
71.01338	0.1
71.04977	0.5
71.07369	2.4
71.62374	0.1
71.62779	0.1
73.02905	0.2
79.05482	1.7
81.03404	2.6
81.07049	1.4
83.04969	0.9
83.08601	0.9
84.08112	0.1
85.02893	0.9
85.06547	0.2
86.09695	29.2
87.04449	0.1
87.10049	0.3
91.05463	1.7
93.07031	1.4
94.07341	0.1
95.04962	1.3
95.08595	0.8
97.02873	0.6
97.06520	0.5
97.10151	0.6
98.98451	2.3
99.00795	0.1
99.04436	0.3
103.05451	0.1
104.10732	1.7
105.03368	0.5
105.07023	1.2
107.04946	0.7
107.08588	0.9
109.02867	1.3
109.06509	0.5
109.10123	1.2
111.04445	0.7
111.08068	0.3
113.06013	0.1
115.05398	0.2
117.07034	0.3
119.04948	0.5
119.08562	0.9
121.02824	0.3
121.06509	0.3
121.10126	0.6
123.04428	0.4
123.08061	0.2
123.11651	0.2
124.99989	18.3
125.09619	0.5
127.03912	0.3
129.05464	0.8
129.06972	0.5
131.04927	0.1
131.08577	0.6
133.06474	0.3
133.10139	0.7
135.08067	0.3
135.11685	0.4
137.05971	0.3
137.09592	0.6
139.03883	0.2
143.01039	0.3
143.07024	0.2
145.06493	0.2
145.10095	0.5
147.04402	2.0
147.08028	0.3
147.11714	0.6
148.11993	0.1
149.09610	0.4
151.03902	0.4
151.11150	0.2
153.01810	0.3
153.12717	0.2
157.08853	0.1
157.10100	0.5
161.09612	0.2
163.03885	0.3
163.11218	0.6
165.01909	0.1
165.05502	0.2
165.09093	0.4
165.12711	0.2
166.02600	0.1
167.07065	0.2
169.04932	0.1
171.02933	0.1
173.09653	0.2
173.11705	0.1
173.13199	0.1
175.11147	0.5
177.01802	0.2
177.05415	0.4
177.06898	0.1
181.12254	0.2
183.02859	0.1
184.07318	100.0
185.07727	0.8
189.07529	0.2
189.11221	0.2
191.03421	0.2
191.06961	0.1
191.10666	0.2
193.12202	0.9
199.13239	0.2
207.03073	0.2
209.11649	0.7
211.13304	0.6
219.03012	0.2
227.12776	0.3
229.14363	0.4
249.07643	0.2
255.16087	0.1
261.03967	0.3
267.15933	1.1
268.16129	0.2
283.10025	0.1
283.15491	0.7
284.15689	0.2
285.17020	0.5
287.05469	1.9
288.05826	0.7
289.06680	0.2
297.07614	0.2
301.16406	1.0
303.05063	0.1
317.15948	0.3
325.11310	0.1
363.08661	0.1
367.22592	0.2
381.09705	0.2
385.23734	0.4
432.21494	0.1
450.22461	0.2
455.26205	0.1
459.27441	2.2
477.28525	1.3
493.27542	0.2
495.28552	0.2
509.27753	0.2
513.15430	0.1
527.28558	0.8
605.21503	0.1
642.33942	19.3
643.34070	1.2
660.34753	0.2
692.36792	0.2
699.26282	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.01861	0.2
55.05502	0.6
56.05022	0.7
57.03417	0.4
57.07046	0.2
58.06605	0.5
59.07378	0.2
60.08154	5.8
67.05160	0.2
67.05494	2.1
69.03418	0.1
69.07056	0.7
70.06564	0.1
71.04967	0.1
71.07361	2.6
71.08627	0.1
72.83038	0.1
79.05485	1.9
81.03394	0.3
81.07043	1.8
83.04961	0.4
83.08601	0.4
85.02882	0.2
85.06528	0.2
86.09692	28.9
87.10013	0.3
91.05467	1.6
93.06460	0.1
93.07029	2.2
95.04932	0.5
95.08600	1.4
97.06500	0.3
97.10189	0.2
98.21581	0.2
98.75974	0.1
98.98444	2.3
99.08011	0.1
103.31364	0.1
104.10728	2.1
105.07024	1.2
107.04936	0.3
107.08572	1.2
109.06459	0.2
109.10139	0.7
111.08078	0.2
117.07030	0.2
119.08570	0.9
120.20795	0.1
120.40356	0.1
121.06510	0.2
121.10133	0.7
123.08031	0.1
124.99984	18.4
129.06993	0.4
131.08517	0.4
133.10112	0.8
135.08072	0.2
135.11670	0.4
136.73813	0.1
137.13251	0.1
143.01044	0.3
143.08560	0.2
143.23204	0.1
145.10155	0.5
147.07986	0.2
147.11626	0.6
149.13220	0.1
159.11635	0.2
161.13234	0.3
163.11211	0.2
166.02634	0.2
171.11740	0.4
173.09669	0.1
175.11235	0.1
184.07309	100.0
185.07672	1.0
189.12686	0.1
193.12257	0.1
207.13806	0.2
209.11703	0.1
211.13190	0.1
217.90715	0.1
222.08971	0.1
247.20708	0.1
260.51828	0.1
263.20023	0.2
269.17599	0.1
275.20053	0.2
281.17419	1.2
283.15289	0.3
335.25787	0.9
336.84241	0.1
337.23782	0.5
354.18643	0.1
525.35284	0.2
543.36719	4.4
544.37164	0.3
561.37842	0.2
599.50195	0.3
650.43793	8.9
651.44458	0.5
722.45770	0.3
740.46729	5.7
741.46527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92063	0.9
53.03933	2.1
55.01847	2.4
55.05502	24.8
57.03424	2.1
57.07069	10.2
67.05495	15.3
69.07057	25.5
71.08621	6.3
72.02334	0.9
77.96799	0.8
79.05048	1.4
79.05476	14.1
81.03391	1.9
81.07043	19.7
83.04964	0.9
83.08601	22.0
85.06490	1.2
85.10155	2.9
91.05469	20.4
93.07032	15.7
95.04948	2.2
95.08594	13.4
97.06464	1.1
97.10158	14.4
98.20746	1.6
98.98451	4.2
99.08111	1.1
105.07017	21.1
107.08590	9.6
109.06493	1.1
109.10138	5.5
111.08059	1.3
111.11707	4.8
115.05419	1.2
117.06993	6.3
119.08552	18.6
121.10122	7.6
123.11687	1.2
129.06981	3.9
131.08540	11.9
133.10114	14.6
135.08014	1.1
135.11649	5.2
142.07724	1.2
143.08551	4.7
145.10110	10.0
147.11655	12.4
149.09586	1.2
149.13231	3.9
155.00990	1.3
156.09312	1.4
157.10086	3.5
159.11653	7.3
161.13229	11.0
163.14864	2.2
169.10080	1.1
171.11641	7.3
173.13234	7.7
175.14789	6.1
183.11617	1.7
185.13231	4.1
187.14790	2.6
199.14734	2.0
213.16423	1.7
215.17876	2.7
217.19476	4.4
231.21036	2.0
237.22116	1.0
239.17885	2.3
241.19482	19.0
257.18967	2.7
259.20508	12.4
275.20047	1.8
309.24030	1.0
311.25751	36.2
313.21497	8.2
313.27298	3.9
315.23148	13.3
321.05319	1.0
333.24115	4.7
345.86511	1.0
365.27017	1.9
374.38458	0.9
487.25018	1.0
495.42474	1.4
569.45551	100.0
570.45953	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	740.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01849	3.9
55.05505	13.1
57.03425	6.5
57.07063	1.7
60.08141	1.0
61.02911	2.0
65.03909	1.5
67.05493	37.2
68.05818	0.8
69.03404	2.5
69.06713	1.1
69.07057	14.4
71.01323	0.9
71.04963	2.5
71.62790	1.5
73.02873	1.2
73.06538	1.0
79.05482	30.1
81.03416	6.3
81.07043	40.9
83.04948	6.4
83.08605	8.3
85.02878	2.6
85.06511	3.0
86.09684	4.1
91.03907	0.9
91.05466	28.7
91.40794	0.9
93.07027	33.5
95.01309	1.0
95.04949	9.4
95.08591	21.2
97.02874	1.9
97.06519	8.4
97.10135	3.1
105.07014	30.1
107.04927	5.8
107.08567	15.3
109.06496	3.5
109.10139	8.1
111.08044	3.8
117.07007	9.5
119.08561	16.7
121.06475	2.8
121.10126	10.5
123.08013	2.1
123.11696	2.4
124.99987	2.4
125.09613	3.0
129.06996	5.9
131.08543	13.9
133.10104	19.4
135.08032	2.0
135.11658	8.1
141.06976	2.5
143.08524	4.8
145.10107	11.8
147.11662	11.2
149.09579	3.4
149.13240	5.6
151.11136	2.1
155.08514	2.1
157.10123	3.7
159.11684	8.3
161.09604	1.7
161.13274	5.0
163.11127	3.6
163.14903	1.4
169.10118	2.4
171.11707	5.3
173.09567	1.0
173.13179	2.2
175.11162	1.5
175.14809	1.5
177.12766	1.3
179.14287	2.5
181.10049	1.6
183.11613	1.2
184.07306	14.9
185.07468	0.9
185.13208	2.1
187.11142	1.4
187.14839	1.2
189.12680	1.6
193.12196	1.8
193.30920	1.0
195.11716	1.2
195.13815	1.8
195.61829	1.1
197.13284	2.0
201.16328	1.1
203.14282	0.9
207.13770	3.7
209.13206	1.2
211.13234	1.3
219.13850	1.0
227.12746	1.6
227.17960	1.2
245.18933	2.2
251.16423	1.4
257.19000	1.3
259.20575	1.7
263.19852	1.5
267.15842	1.7
269.17422	16.3
272.41101	1.1
275.20065	11.3
281.17413	9.9
283.15506	5.1
284.76410	0.9
285.16849	3.0
319.22800	1.1
333.24405	1.8
335.25766	6.8
337.23627	6.9
343.26047	1.0
349.23654	6.6
431.27515	1.4
433.30591	2.3
442.42242	1.0
445.29669	1.3
451.31964	2.0
469.32831	1.8
487.33929	2.3
520.94781	1.0
525.35553	8.7
543.36731	100.0
544.36987	6.0
561.37482	3.8
599.49927	4.0
687.41046	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01861	5.5
55.05504	8.7
57.03428	4.2
57.07061	0.9
58.40661	0.4
60.08157	0.5
60.57141	0.4
61.02924	0.7
61.37350	0.4
65.03933	1.0
67.05493	23.2
67.52702	0.5
69.03419	1.1
69.07056	14.5
70.87155	0.5
71.04980	1.5
71.08630	0.6
79.05480	16.2
81.03416	3.4
81.07043	33.4
83.04971	4.2
83.08612	6.3
85.02888	1.1
85.06532	1.7
86.09696	1.2
87.21252	0.4
91.05463	20.3
93.07027	22.0
95.01304	3.2
95.04949	4.1
95.08591	15.2
95.09223	0.6
97.02901	0.7
97.06513	13.1
97.10143	2.1
97.12399	0.4
98.20776	1.2
99.08067	1.1
99.79935	0.4
101.06029	0.4
103.05479	0.8
105.07013	28.1
107.04939	5.6
107.08576	14.2
107.09282	0.8
109.06512	2.7
109.10131	3.9
111.04436	0.6
111.07389	0.5
111.08035	2.7
111.11692	0.7
113.09689	0.6
115.05438	0.6
117.07003	7.2
119.08560	15.1
120.08862	0.5
121.06502	1.7
121.10121	7.3
123.04411	0.9
123.08071	1.3
123.11713	1.3
124.99973	1.3
125.09615	1.5
127.44422	0.4
128.06238	0.5
129.06938	2.0
131.08543	11.1
133.10109	16.6
135.08038	1.8
135.11664	4.5
137.09621	1.0
139.07504	0.8
139.11101	0.5
141.06987	0.5
143.08524	2.6
145.06427	0.8
145.10100	6.9
147.11658	7.1
149.09601	2.4
149.13237	8.3
151.11197	0.9
155.08455	1.0
157.10138	1.8
159.11674	6.8
161.09573	0.7
161.13237	1.9
163.11159	2.1
163.14879	0.5
164.29974	0.4
165.09117	0.9
165.12668	0.5
169.10129	1.3
171.11714	1.7
173.13237	1.8
177.12732	2.4
179.14285	4.5
181.10162	0.7
183.11702	1.4
184.07320	4.5
185.13290	0.7
187.11168	1.3
187.14749	0.7
187.29570	0.4
195.11835	0.4
195.13844	1.7
197.13315	1.0
209.13304	0.6
219.13800	0.4
227.12759	1.2
229.33383	0.5
232.31883	0.5
233.15375	0.5
247.20572	1.1
251.16515	0.9
257.19031	2.3
261.22025	0.5
269.17426	25.6
270.17886	0.8
274.34222	0.4
275.20026	24.0
276.20358	0.8
279.15884	1.1
283.15356	1.4
293.21170	1.5
335.25708	2.2
349.23666	10.9
391.76355	0.4
433.29999	0.4
451.32166	1.1
469.32974	0.4
515.51117	0.4
525.35724	3.0
529.35541	0.9
543.36731	100.0
544.37042	4.9
561.38025	2.9
740.44885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.01858	7.4
55.05501	21.1
55.05752	0.7
57.03425	17.4
57.07075	3.2
57.95349	0.4
59.04996	2.5
61.02922	7.0
62.62988	0.5
64.43723	0.4
65.03909	1.8
67.05492	55.2
68.05793	0.7
69.03410	2.9
69.07056	15.3
69.38248	3.7
69.38657	1.0
69.61732	0.4
71.01313	1.0
71.04976	4.1
71.08576	1.3
73.02871	2.1
77.03869	1.1
78.98145	0.5
79.05478	42.9
81.03404	10.8
81.07042	56.4
82.07320	0.6
83.01330	6.5
83.04963	11.0
83.08601	14.5
85.02422	0.6
85.02884	10.0
85.06519	2.5
86.09660	0.9
91.03956	2.5
91.05461	24.3
92.05735	0.6
93.07025	53.0
93.27087	0.4
94.07315	0.9
95.04960	6.7
95.08588	41.0
97.02867	5.0
97.06508	6.1
97.10160	5.8
99.04404	2.2
99.08044	1.5
103.05407	0.7
105.04498	0.5
105.07011	19.5
106.72419	0.5
107.04934	6.6
107.08576	29.7
109.02819	0.6
109.05886	0.5
109.06496	6.3
109.10127	15.6
111.04427	2.4
111.08068	2.8
111.11745	0.6
113.09654	0.5
117.06224	0.6
117.06990	10.5
119.08559	17.5
121.06477	3.8
121.10117	23.6
123.04327	0.7
123.08044	8.3
123.11678	5.0
125.05949	1.3
125.09589	3.4
127.03861	0.6
129.06938	1.8
130.07736	1.6
131.07599	0.8
131.08537	11.0
133.10095	9.6
135.08022	2.1
135.11664	20.9
137.09552	2.2
137.13203	1.5
143.08501	2.1
145.04919	0.6
145.06422	1.0
145.10094	18.8
146.10384	0.6
147.07961	2.0
147.11656	6.3
149.09550	1.4
149.13219	5.9
151.11055	1.0
153.09108	0.8
153.12654	2.6
155.08485	2.1
157.10104	1.4
159.11652	5.7
161.13261	4.0
163.11151	24.4
163.14778	2.9
164.11505	0.9
169.10120	0.9
171.11641	1.4
173.09532	2.6
173.13205	5.6
175.11215	0.5
175.14777	1.9
177.12737	0.7
177.16362	1.1
181.12224	3.5
184.07300	4.1
185.13165	1.1
187.14778	1.6
189.11171	2.0
191.10603	2.0
193.12166	0.9
201.16284	0.8
205.15816	0.6
209.11671	7.4
211.13153	1.1
219.17346	0.8
227.12744	12.3
233.22523	0.9
241.19562	0.5
243.21088	5.4
259.20538	1.6
261.22107	18.2
265.14383	0.8
267.15878	1.4
277.21622	0.9
283.15341	96.9
284.15771	2.5
285.16794	1.1
299.23593	3.8
309.11340	0.6
317.24664	5.0
333.24316	1.3
335.25732	100.0
336.26019	4.2
355.26215	0.6
423.33118	0.9
433.31055	1.2
451.32101	3.5
469.33063	2.4
487.34048	1.0
515.37073	1.1
525.35614	5.3
543.36719	79.7
544.36890	6.0
561.37756	3.6
599.50446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.4
55.01868	2.1
55.05504	10.9
57.03430	7.7
57.07049	1.4
57.07297	0.3
58.41513	0.3
60.08138	0.7
61.02895	0.9
65.03903	1.3
66.04680	0.5
67.05495	35.6
69.03391	1.1
69.07058	9.5
71.04974	2.3
73.02876	1.1
77.03902	0.5
79.05482	29.8
80.05798	0.5
81.03390	1.0
81.07045	37.1
82.07346	0.4
83.04971	2.5
83.08607	8.0
85.02870	1.2
85.06511	1.2
86.09692	3.2
91.03899	0.4
91.05465	13.0
93.07031	41.0
95.04431	0.5
95.04965	5.7
95.08593	43.5
96.08926	0.6
97.02872	3.1
97.06010	0.3
97.06515	2.7
97.10136	1.7
98.20676	0.5
99.04432	2.4
99.08067	0.9
103.05453	0.5
105.04489	0.7
105.07018	9.8
107.04943	5.3
107.08578	24.4
108.08870	0.5
109.06509	1.7
109.10134	10.4
111.04392	1.0
111.08030	1.5
115.05439	0.4
117.06989	7.3
119.08567	11.1
121.06512	3.5
121.10127	15.5
121.45710	0.4
123.08045	1.0
123.11703	2.9
124.99966	1.9
125.05996	1.7
125.09649	0.4
130.07733	1.0
131.08551	3.6
133.10117	5.0
135.08112	1.6
135.11673	35.7
136.12024	0.5
137.13202	0.8
139.07487	1.5
143.08514	0.5
145.10101	21.5
147.11681	2.4
149.13254	3.0
153.12700	0.7
155.08504	0.5
159.11685	1.9
161.13176	1.6
163.11154	42.7
163.14781	1.0
164.11525	0.6
173.09555	0.7
173.13213	1.7
175.07011	0.3
175.14815	0.9
181.12213	5.7
184.05736	0.7
184.07318	10.6
184.14716	0.4
187.14786	0.8
201.16225	0.5
209.11732	1.2
227.12752	47.8
228.13129	0.8
230.01149	0.4
243.20944	1.6
246.63356	0.4
261.22098	6.5
283.15363	51.6
284.15741	1.0
317.24719	1.6
335.25742	100.0
336.26111	3.1
433.43567	0.4
475.29752	0.4
543.36731	80.3
544.37018	5.3
561.37714	0.5
575.93988	0.4
650.43628	1.3
740.46277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01851	0.7
55.05506	1.4
56.05011	0.7
57.03413	0.5
57.07047	0.3
58.06323	0.2
58.06607	0.4
59.04979	0.2
60.08152	7.0
61.02909	0.5
65.03938	0.2
67.05492	3.0
69.03422	0.3
69.06710	0.2
69.07057	2.8
70.35722	0.7
71.04960	0.3
71.07359	3.0
79.05473	2.5
81.03407	0.5
81.07039	3.5
83.04967	0.5
83.08609	0.9
85.02887	0.5
85.06525	0.2
86.09690	32.7
87.10012	0.3
91.05458	2.9
93.07027	2.7
95.04951	0.5
95.08592	2.6
97.02883	0.2
97.06496	1.2
97.10144	0.5
98.98440	3.3
104.10722	3.6
105.07011	2.5
107.04976	0.3
107.08595	1.8
109.06495	0.3
109.10157	0.9
109.10803	0.2
111.08044	0.3
117.07016	0.8
119.08552	2.0
121.06501	0.2
121.10141	1.0
123.08064	0.3
123.11684	0.2
124.99982	20.7
125.09605	0.3
128.06198	0.2
129.06972	0.7
131.08539	1.6
133.10126	1.2
134.41782	0.2
135.08072	0.2
135.11661	0.7
141.07001	0.2
143.01067	0.3
143.08530	0.9
145.10135	1.1
147.08040	0.3
147.11667	1.0
149.09586	0.5
149.13226	0.6
151.11159	0.2
155.08485	0.4
157.10066	0.5
159.11662	1.1
161.09538	0.2
161.13243	0.4
163.11218	0.4
166.02667	0.2
169.10089	0.5
171.11656	0.5
173.13271	0.5
177.12695	0.2
181.10114	0.3
183.08029	0.2
183.11652	0.5
184.07306	100.0
185.07649	0.9
187.11285	0.2
187.14810	0.2
189.12654	0.2
197.13177	0.4
199.14874	0.3
203.14319	0.2
211.14880	0.3
223.14787	0.3
227.12831	0.3
252.01125	0.2
257.18893	0.2
269.17368	0.5
275.19910	0.8
287.19870	0.2
287.23370	0.2
288.79932	0.2
293.21182	0.3
321.22107	0.2
339.23041	0.3
349.23764	0.4
405.26569	0.2
431.27835	1.1
433.30771	0.6
445.29288	0.3
449.29114	0.4
451.32031	0.5
469.32773	0.5
487.34180	0.6
489.35461	0.3
515.37268	0.4
517.35468	0.2
525.35590	1.8
543.36755	6.2
544.37250	0.5
561.37695	1.8
740.44843	11.6
741.45294	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05024	0.7
58.06287	0.1
58.06614	0.4
59.07372	0.1
60.08153	6.4
67.05494	0.4
69.03413	0.1
69.87180	0.1
70.06598	0.1
71.04974	0.1
71.07361	3.3
71.62853	0.1
79.05478	0.4
81.03397	0.1
81.07023	0.3
83.04947	0.1
83.08589	0.1
85.02863	0.1
86.09689	31.4
87.10036	0.3
91.05463	0.5
93.07028	0.5
95.04941	0.2
95.08584	0.3
97.02856	0.1
97.06489	0.1
98.98444	2.9
103.55517	0.1
104.10725	2.5
105.07026	0.3
107.04964	0.1
107.08553	0.3
109.06510	0.1
109.10144	0.1
116.99489	0.1
117.06981	0.2
119.08533	0.2
121.06475	0.1
121.10114	0.1
124.99980	21.2
126.00315	0.1
131.08560	0.2
133.10074	0.1
135.11668	0.1
135.99951	0.1
143.01030	0.4
143.08498	0.1
145.10110	0.1
147.11620	0.2
155.08470	0.1
163.11244	0.1
166.02614	0.2
169.10062	0.1
184.07304	100.0
185.07686	0.8
348.98532	0.1
349.23547	0.1
464.23975	0.1
516.30896	0.1
542.35486	0.1
543.36841	0.1
560.36401	0.1
587.81952	0.1
722.43774	9.8
723.43658	0.7
740.45197	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.4
55.01860	7.3
55.05498	31.8
57.03148	1.3
57.03426	22.3
59.04696	1.7
59.04987	32.5
61.02922	4.4
65.03918	1.4
67.05489	84.7
68.05828	1.3
69.03416	7.7
69.07054	12.3
69.56178	7.9
71.01351	1.1
71.04975	15.0
72.53718	0.9
73.02876	1.5
79.05476	39.2
81.03400	60.8
81.07037	41.1
83.04960	20.7
83.08600	27.7
85.02889	29.1
85.06512	4.0
87.04451	43.6
91.03938	2.1
91.05463	43.9
93.07018	24.1
95.04948	23.9
95.08585	17.0
97.02854	5.2
97.06504	6.2
97.10149	17.7
99.04433	17.5
99.08071	2.5
103.05432	1.5
105.07008	25.9
107.04927	10.1
107.08567	16.1
109.02877	1.2
109.06495	6.1
109.10132	63.9
110.10464	1.3
111.04411	5.3
111.08044	10.9
113.05986	2.6
115.03883	1.5
115.05438	1.5
117.05389	1.4
117.06998	3.9
119.07690	1.4
119.08550	24.9
121.06477	3.0
121.10113	10.2
123.08064	2.3
123.11677	2.0
125.05999	1.3
125.09619	12.3
125.99687	1.0
127.03900	2.0
129.05484	1.4
129.06976	11.6
131.08542	13.7
133.06436	2.4
133.10104	13.6
135.08025	1.4
135.11656	2.8
137.09624	5.1
142.07715	3.0
143.10599	1.4
145.10097	4.9
147.08018	4.2
147.11646	14.8
149.09578	7.3
151.11108	1.4
153.12714	1.8
155.10643	4.2
157.10106	15.9
163.11160	6.5
165.12695	2.4
171.61095	0.9
173.09431	1.4
173.11702	18.5
175.09702	1.7
175.11153	15.9
175.12552	1.7
181.12242	2.1
189.11179	1.0
191.10641	2.7
192.53413	1.0
193.12204	48.2
194.12569	1.4
199.13272	9.7
209.11670	2.8
211.13243	76.5
212.13628	1.1
217.14281	3.1
223.13234	2.2
227.12682	6.0
229.14304	67.0
230.14581	2.2
241.14383	5.7
249.14772	1.4
254.92786	0.9
257.13547	1.2
265.14355	1.9
267.15854	34.7
268.16318	2.5
283.15317	3.7
285.16910	60.0
286.17212	3.0
301.16321	1.5
313.16312	3.1
315.17999	6.5
383.22018	1.5
391.24625	1.5
391.51187	1.1
409.09006	0.9
409.25714	7.2
421.25775	23.7
422.26041	1.3
427.26944	10.6
439.26828	100.0
440.27274	7.4
475.26578	4.3
493.27747	2.1
507.29630	1.3
525.30896	5.9
540.12036	1.2
543.31799	7.0
711.00928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01618	1.2
55.01864	15.2
55.05503	24.9
57.03429	24.2
57.07048	3.2
59.04989	2.0
61.02914	1.8
65.03915	2.0
67.05497	40.5
67.05865	2.1
68.05808	1.0
69.03417	6.0
69.06763	1.0
69.07057	9.8
69.42106	0.9
71.01313	1.6
71.04994	4.2
71.05791	1.4
71.06130	1.0
73.02900	3.9
77.03884	1.0
79.05482	35.6
80.06238	0.8
81.03407	100.0
81.06569	1.4
81.07044	27.8
82.03747	1.2
82.04188	3.4
83.04970	22.4
83.08610	33.2
85.02911	5.0
85.06526	3.0
87.04484	1.2
91.05469	30.7
93.07030	23.3
95.04952	41.1
95.08596	13.2
97.02884	7.6
97.06524	9.8
97.10149	17.2
98.07307	4.4
99.04423	2.0
99.08074	3.8
101.06007	1.4
103.05424	1.1
105.06365	1.6
105.07015	20.3
107.04938	16.5
107.08581	16.4
108.05666	1.0
109.02850	1.0
109.06515	6.8
109.10146	19.1
111.04424	12.7
111.08071	12.4
113.06001	1.3
115.05441	2.2
116.04699	12.1
117.05480	2.8
117.07004	8.9
119.04916	2.0
119.08562	20.5
121.02831	3.7
121.06496	8.2
121.10125	14.3
123.04404	2.9
123.08058	5.4
124.22134	0.8
125.05974	1.8
125.09610	18.1
129.05467	30.5
129.06949	11.8
131.04904	1.9
131.08542	15.0
133.06485	4.8
133.10109	10.9
135.04373	4.0
135.08057	4.4
135.11668	13.4
136.08803	1.5
137.05974	1.7
137.09616	4.1
139.07442	1.2
141.06944	1.8
142.07774	4.1
143.07005	7.9
143.08461	1.1
143.10632	1.1
145.06427	1.8
145.10110	9.4
147.04358	2.5
147.08025	7.4
147.11678	13.6
147.12799	1.5
149.05922	2.1
149.09593	10.4
151.11053	1.4
153.09111	3.3
153.12717	21.2
157.08563	12.1
157.10092	12.8
158.05719	1.1
159.11595	1.2
161.09543	1.2
163.11142	17.9
165.12698	3.4
171.06520	1.1
171.07942	1.0
171.10161	6.3
171.11523	1.5
173.09610	4.2
173.11739	5.6
173.13147	1.4
175.11172	13.0
177.12672	1.2
181.12195	20.5
183.11658	2.7
185.11667	2.3
185.13187	1.4
187.11142	1.5
189.11215	16.8
189.12796	1.0
191.10645	11.5
193.12222	41.3
194.12538	1.6
199.13300	4.8
200.14044	1.8
201.12735	3.8
201.14821	3.2
203.14268	0.9
205.12056	1.1
209.11693	10.4
210.12483	1.1
211.11255	1.7
211.13257	11.9
213.12791	1.1
217.14287	1.1
219.13899	4.1
223.13257	2.0
227.12746	51.1
228.13141	1.3
229.12204	2.9
229.14326	15.2
231.13751	1.9
247.13277	35.4
249.14861	5.7
255.15880	2.6
259.13077	1.8
265.14349	3.4
267.15881	99.3
268.16141	2.5
283.15341	25.8
284.16095	1.0
285.16910	3.2
301.16443	45.3
302.16748	1.5
321.16895	13.2
339.17941	3.9
349.20087	2.1
355.22653	1.5
365.21017	1.9
383.22006	5.7
399.23688	1.0
401.23273	2.4
409.25964	1.2
421.25488	1.2
439.26440	1.3
447.27142	1.8
457.25684	2.6
458.26508	3.2
459.27289	3.9
475.26849	20.3
476.27557	4.9
477.28308	1.1
493.27921	49.0
494.28159	3.1
525.19318	1.0
525.30658	4.5
624.28827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.6
55.01861	19.4
55.05262	3.1
55.05505	45.1
55.29404	2.1
55.58036	1.6
57.03427	18.5
57.07047	3.5
59.05001	2.8
61.02912	11.8
65.03922	4.3
67.05495	90.2
69.03417	25.3
69.07056	31.6
71.01331	2.3
71.04989	13.0
73.02889	7.0
77.03886	2.2
79.05482	79.2
81.03409	93.2
81.07045	100.0
83.04533	3.1
83.04975	32.1
83.08610	40.2
85.02416	2.6
85.02898	39.2
85.06513	5.0
86.09705	3.4
87.04459	2.4
88.01119	1.9
91.03922	5.4
91.05465	88.4
93.07030	68.2
93.07616	4.2
95.04957	43.9
95.08594	44.9
97.02876	20.0
97.06518	38.6
97.10159	20.2
99.04425	5.7
99.08066	4.2
103.05414	3.6
105.07014	72.5
106.07336	2.1
107.04943	23.9
107.08578	51.0
108.08923	2.2
109.02839	9.9
109.06496	13.4
109.10152	23.8
111.04412	8.1
111.08067	16.0
113.06012	2.8
115.05423	4.1
117.06998	26.8
119.08568	58.4
120.08884	2.1
121.06503	11.0
121.10123	28.7
123.04391	2.5
123.08055	10.0
123.11710	9.6
125.05982	2.1
125.09624	13.6
127.03873	8.1
128.06190	3.2
129.05447	3.6
129.06989	20.1
131.04922	2.2
131.08560	38.6
133.06517	10.0
133.10118	49.5
135.08023	8.6
135.11728	12.4
137.09613	6.6
138.28276	1.8
141.06920	4.0
142.07755	4.5
143.08546	10.0
145.06422	3.7
145.10098	27.4
147.08014	7.7
147.11678	37.0
149.09579	29.5
149.13245	9.6
151.07550	2.6
151.11182	4.0
153.09128	3.0
153.12604	2.3
155.08562	5.5
157.06444	3.1
157.10104	28.5
159.08034	4.6
159.11668	18.1
161.09637	4.9
161.13222	6.5
163.11171	12.9
165.12704	5.3
167.08557	2.1
169.10094	7.9
171.11649	10.9
173.04471	11.6
173.09627	4.4
173.11804	3.3
173.13222	7.5
175.11169	19.5
177.12656	4.7
179.14293	3.1
181.12079	2.5
183.11641	6.8
184.07248	4.8
185.13231	2.8
187.11153	5.3
187.14792	2.9
189.11227	11.1
191.14297	2.5
193.10387	3.1
193.12209	47.3
193.13837	3.5
195.11693	2.7
195.13785	4.2
197.13234	4.5
201.12685	2.5
201.16429	1.8
205.12085	2.6
211.11288	4.0
211.13257	72.2
211.15205	4.7
217.15854	2.2
219.13683	2.7
227.12730	35.2
229.14351	4.4
233.15417	2.1
244.85945	1.9
245.13788	3.0
247.20590	2.9
249.14922	2.8
255.17403	2.2
257.18921	13.9
267.15878	46.3
269.17471	6.5
275.20026	73.2
276.20398	2.6
283.15341	2.7
285.16925	65.3
286.17123	2.2
293.20987	5.4
299.19955	2.8
331.22559	5.6
341.21173	2.4
349.23666	52.7
350.24142	2.5
367.24823	10.5
381.22849	2.6
413.21503	5.7
429.21143	7.8
437.25253	5.3
439.26605	5.2
443.27689	2.6
445.29599	2.6
449.30081	3.1
455.26276	4.3
461.28891	14.3
463.30127	6.4
467.31433	4.2
479.29980	30.9
501.31699	2.1
523.34216	3.9
541.35217	35.7
542.35419	2.9
559.36206	64.0
560.36456	5.6
577.37268	31.6
578.37695	3.0
583.35760	3.0
605.33002	3.5
623.33978	17.0
685.38928	3.2
703.39917	8.0
721.40491	9.0
739.39160	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.5
54.57698	1.7
55.01862	10.9
55.05501	33.0
56.06893	2.0
56.71637	2.0
57.03432	20.7
57.07067	3.8
60.40398	1.9
61.02911	6.6
65.03928	5.7
67.05497	70.4
69.03425	24.2
69.07057	25.7
70.22609	7.6
71.04987	12.3
73.02907	4.5
77.03932	2.8
79.05485	59.6
81.03407	100.0
81.07047	93.2
81.07425	1.2
83.04967	31.2
83.08604	28.6
85.02892	31.0
85.06503	4.3
86.09646	1.8
91.03971	2.2
91.05470	68.9
93.07034	54.4
95.01335	2.6
95.04956	41.5
95.08595	35.7
97.02872	13.4
97.06539	13.2
97.10159	8.4
99.04462	7.6
99.08061	4.3
105.04510	2.5
105.07014	61.0
107.04942	18.9
107.08586	37.9
109.02879	9.0
109.06503	14.9
109.10141	20.1
111.04398	9.0
111.08059	15.2
113.06001	2.7
115.05436	3.6
117.07029	15.7
119.08560	43.6
120.03690	2.0
120.08912	2.8
121.06472	10.4
121.10132	25.6
123.04429	4.2
123.08032	10.8
123.11697	7.4
125.09621	7.9
127.03896	7.4
127.07521	1.9
128.06146	3.5
129.05482	4.7
129.06976	14.0
131.04929	2.0
131.08560	30.2
133.06490	5.7
133.10115	41.1
135.08049	8.9
135.11678	11.6
137.09581	5.8
142.07722	2.3
143.08548	6.2
145.06442	2.4
145.10117	20.8
147.08014	6.0
147.11659	27.1
149.09590	11.3
149.13255	11.6
151.11154	6.4
155.08533	3.7
157.10092	19.8
159.08096	2.1
159.11661	11.5
161.05949	2.2
161.09619	3.7
161.13232	3.6
163.11148	4.6
165.09239	2.4
165.12744	3.6
169.10097	6.2
171.11687	4.7
173.04440	12.9
173.09486	2.0
173.13240	7.1
175.11130	18.3
177.12764	5.0
183.11633	4.0
184.07306	5.2
189.12752	4.1
193.12212	45.0
195.13705	4.8
197.13243	3.8
199.14781	2.6
203.14487	2.1
209.13310	2.6
211.13240	54.4
212.13776	2.2
213.14781	2.4
227.12700	4.5
239.17950	3.1
249.14847	2.8
253.14368	9.7
257.19037	5.8
267.15897	37.0
267.18860	2.2
269.17365	12.0
275.20029	37.6
276.20377	2.7
285.16907	48.2
293.21140	3.9
331.22583	2.5
339.17746	2.5
349.23709	25.0
367.24597	5.0
413.21603	13.4
429.21262	6.0
431.28983	2.4
443.28125	4.7
461.28995	28.3
479.23361	3.7
479.29987	51.5
493.28204	2.6
541.35339	17.5
559.36206	31.8
567.23090	2.2
577.37500	20.4
583.36035	2.2
587.31866	4.5
605.32709	5.6
623.34259	33.0
663.36646	2.5
703.40045	6.9
721.41034	6.1
739.36871	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	739.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.9
55.01868	25.7
55.05506	43.1
55.05752	5.4
57.03431	26.9
57.07062	3.3
59.04986	3.6
59.89368	2.6
61.02907	10.1
65.03919	6.5
67.05495	91.3
69.03415	21.2
69.07054	34.8
69.52267	4.6
69.52669	18.5
71.01340	2.8
71.04986	18.6
73.02901	8.1
79.05479	70.9
81.03408	85.2
81.07049	100.0
82.07362	2.7
83.04973	36.4
83.08596	35.7
85.02894	33.2
85.06538	8.0
86.09692	8.3
87.40191	2.6
91.03925	3.2
91.05466	95.7
93.07028	70.8
94.07378	4.5
95.04951	43.5
95.08597	52.9
96.08927	3.8
97.02861	16.0
97.06513	34.1
97.10159	11.8
99.04425	6.3
99.08064	3.4
103.05467	5.0
105.07021	85.4
106.07325	3.4
107.04942	22.6
107.08577	41.6
109.02890	6.2
109.06497	13.3
109.10152	39.0
111.04412	7.2
111.08047	14.4
117.06998	25.8
119.07774	4.7
119.08566	60.2
121.06484	10.3
121.10111	33.0
123.04393	6.4
123.08032	13.2
123.11707	8.8
124.99963	4.0
125.09601	17.5
127.03902	9.1
128.06201	3.2
129.05473	5.5
129.06981	20.9
131.08546	45.9
133.06476	4.1
133.10118	48.0
135.08041	9.3
135.11667	14.4
137.09579	8.6
141.06979	5.9
142.07765	6.0
143.08517	11.3
145.06483	6.5
145.10106	32.1
147.07993	12.8
147.11667	36.3
149.09618	21.2
149.13210	3.9
151.11110	3.4
155.07324	2.4
155.08540	10.0
157.10121	26.1
159.08029	3.4
159.11659	20.7
161.09625	5.0
161.13226	10.7
163.11124	10.2
165.12772	3.1
167.08511	4.1
169.10089	9.5
171.11653	12.7
173.04466	10.6
173.09621	3.8
173.11771	5.5
173.13219	10.7
175.11136	19.0
175.14764	2.7
177.12747	8.1
179.14297	6.5
181.10158	5.8
183.11668	4.8
184.07370	17.3
185.13220	5.5
187.11172	6.1
187.14827	4.5
189.11147	6.8
189.12695	3.8
193.12216	46.7
194.12436	3.9
197.13266	5.3
199.14767	4.7
201.12808	2.9
203.14351	3.2
211.13251	53.5
213.16507	3.2
227.12752	13.5
229.14297	13.0
247.20560	6.1
257.18985	7.0
259.20425	3.1
267.15897	35.4
269.17444	3.6
275.20026	69.8
276.20413	3.4
285.16913	57.0
291.19595	5.1
293.21088	8.7
301.16541	4.0
313.21509	4.4
331.22476	4.5
333.24274	2.9
349.23730	41.3
355.26785	3.3
367.24698	3.8
413.21674	5.3
429.21088	5.5
439.26965	19.3
447.27701	3.2
449.30569	3.6
453.28589	3.2
461.29044	9.6
467.31680	4.7
468.48364	2.7
479.29813	10.6
515.33295	5.4
523.34515	2.9
525.35333	4.1
527.35919	3.9
533.34735	3.9
541.35242	48.5
542.35309	7.0
543.36401	6.3
545.37830	4.0
559.36224	85.9
560.36505	8.4
577.37427	20.5
623.34192	6.3
703.40356	5.6
704.40631	5.1
721.41187	7.2
739.42114	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	738.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64597	0.1
55.50999	0.1
56.05030	0.6
56.06762	0.1
57.07064	0.2
58.06615	0.3
59.07373	0.1
60.08151	5.8
65.65298	0.1
67.05498	0.1
70.06565	0.1
71.07359	2.7
76.10708	0.1
81.03399	0.3
81.07017	0.1
86.09688	26.6
87.10023	0.2
91.05505	0.1
95.08600	0.2
98.21465	0.2
98.98440	2.4
104.10719	1.8
105.07057	0.1
124.99979	17.5
141.76190	0.1
143.01007	0.1
166.02576	0.1
184.07303	100.0
185.07671	1.0
267.15933	0.1
285.50104	0.1
313.27179	0.2
466.40424	0.1
535.27576	0.1
688.45319	10.8
689.45782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01851	1.1
55.05505	9.7
57.03424	2.0
57.07057	1.8
62.06088	0.7
65.03931	1.4
67.05495	38.0
69.03413	0.4
69.07057	10.6
70.80289	1.2
71.04987	0.7
71.08621	1.0
77.45811	0.4
79.05480	18.4
81.07044	35.7
82.07343	0.4
83.04962	0.9
83.08609	5.0
85.05275	0.8
85.06535	1.0
91.05466	10.4
93.07029	20.4
95.04956	2.6
95.08597	25.0
96.08944	0.4
97.06506	1.4
97.10156	2.2
98.06037	5.3
99.08108	0.5
105.04461	0.6
105.07018	7.1
107.08577	9.4
109.06506	0.6
109.10140	8.7
110.50842	0.4
111.08061	1.2
112.07585	1.0
117.06992	1.4
119.08546	5.1
121.10123	7.5
123.11697	2.9
126.09167	0.5
131.08531	2.2
133.10109	4.1
135.11685	4.2
137.13176	1.1
138.08995	0.4
145.10091	1.4
147.11665	1.7
149.13231	2.2
154.12192	0.6
159.11679	1.1
161.13240	1.3
163.14830	0.9
173.13251	0.8
175.14813	0.8
184.07195	0.5
187.14914	0.5
196.16971	0.5
208.17001	0.8
222.18616	0.6
245.22733	0.5
261.22147	0.9
263.23734	1.4
304.26294	29.0
305.26633	0.7
306.27878	27.8
307.28223	0.6
335.25757	10.5
337.27319	9.7
338.27618	0.4
393.60764	0.4
549.48730	1.4
597.48682	100.0
598.48975	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17797	0.1
55.01865	0.2
55.05500	0.3
56.05019	0.6
57.03421	0.2
58.06621	0.6
59.07094	0.1
59.07386	0.2
60.08155	6.5
67.05493	0.9
69.03421	0.1
69.07066	0.5
70.06557	0.1
71.07362	3.4
71.29272	0.1
71.62744	0.1
79.05482	0.7
81.03413	0.4
81.07037	1.0
83.04967	0.2
83.08606	0.2
85.02890	0.1
86.09692	33.0
87.10039	0.2
91.05463	0.7
93.07035	0.8
94.07393	0.1
95.01299	0.1
95.04944	0.4
95.08601	0.6
97.06536	0.3
97.10169	0.1
98.98449	2.9
104.10725	3.7
105.07020	1.0
106.07342	0.1
107.04960	0.3
107.08585	0.3
109.06519	0.2
109.10133	0.2
116.99487	0.1
117.07008	0.2
119.08573	0.5
121.06480	0.1
121.10121	0.2
121.41528	0.1
122.36387	0.1
123.08002	0.1
124.99984	22.0
129.06982	0.2
131.08557	0.3
133.10060	0.5
134.10411	0.1
135.11729	0.2
143.01022	0.5
145.10107	0.3
147.11670	0.3
156.46513	0.1
157.10223	0.1
159.11729	0.1
161.13225	0.1
163.11179	0.1
166.02625	0.1
184.07309	100.0
185.07648	0.7
227.12640	0.1
248.67198	0.1
265.58759	0.1
275.20172	0.2
276.20404	0.2
283.15491	0.2
284.15738	0.2
304.26151	0.1
306.27814	0.2
349.23553	0.2
350.24020	0.1
464.23993	0.1
546.97064	0.1
558.35101	1.0
738.43243	10.9
739.43585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	5.0
55.05506	16.4
57.03430	16.1
59.04979	1.9
61.02903	1.9
65.03914	2.3
67.05163	1.8
67.05498	22.8
69.03420	6.9
69.07059	6.8
70.06564	1.0
71.04977	3.8
73.02892	2.9
74.70368	1.2
79.05482	20.3
81.03409	75.1
81.07047	25.0
83.04970	10.0
83.08612	23.8
85.02907	6.6
85.06531	2.8
86.09690	1.6
91.05467	32.9
93.07035	21.1
95.04955	23.4
95.08598	13.0
97.02906	7.1
97.06509	4.8
97.10162	7.2
98.21507	2.3
99.00803	10.3
99.04476	2.3
99.08088	1.4
103.05471	1.8
105.03374	1.1
105.07016	21.0
107.04943	15.3
107.08578	13.7
109.02857	9.2
109.06513	7.5
109.10153	10.4
111.04421	5.2
111.08084	9.9
113.06073	1.2
115.03909	1.5
115.05430	1.9
117.07002	6.2
119.04882	2.1
119.08571	20.6
121.02851	2.0
121.06482	9.3
121.10123	9.9
123.04419	5.6
123.08049	2.7
123.11697	3.5
125.09573	6.1
127.03933	5.4
128.06223	1.8
129.06987	9.9
131.08549	11.3
133.06505	6.4
133.10117	33.4
135.08041	4.3
135.11656	4.9
137.05951	3.4
137.09613	5.0
139.03908	3.0
139.07533	2.5
142.07777	1.8
143.08517	4.0
145.06487	2.6
145.10072	5.9
147.04390	5.1
147.08047	4.2
147.11662	8.5
149.09613	6.4
149.13309	1.4
151.11157	7.4
153.01787	2.0
153.05365	1.2
153.12727	1.8
157.10117	11.7
159.11684	1.9
161.09612	18.4
163.03798	1.3
163.11183	5.7
165.09061	1.7
165.12740	1.4
167.07021	1.2
171.07985	4.3
173.09595	2.0
173.13237	2.0
175.11195	9.8
177.05458	2.0
179.10643	9.6
184.07312	3.9
189.09079	9.0
189.11166	4.8
191.10666	1.4
193.12212	26.4
197.11662	2.6
203.10510	1.2
207.10178	2.8
209.11700	4.0
211.13217	7.3
217.12125	1.6
219.13774	7.5
225.11183	11.4
227.12723	3.4
229.14258	1.5
229.28275	1.3
249.14833	2.8
263.12543	1.2
267.15884	99.1
268.16364	1.9
273.07587	2.0
281.13766	4.9
283.15439	7.7
285.16895	7.3
299.14847	58.2
301.16504	1.8
381.20517	2.2
381.65991	1.4
385.23749	3.1
403.24942	1.3
417.23013	1.4
441.26620	2.4
445.25723	9.2
455.23969	1.5
459.27390	18.4
463.27136	6.0
473.18384	2.1
473.25223	30.6
474.25278	2.1
477.28406	15.8
491.26340	100.0
492.26456	5.1
509.27124	7.7
523.28894	1.7
533.27228	3.3
594.23792	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.8
55.01870	12.2
55.05505	32.8
57.03429	22.7
57.07046	1.4
59.04996	42.0
59.05273	1.7
61.02923	5.7
65.03909	2.8
67.05497	67.9
68.05807	0.8
69.03422	8.1
69.07059	9.6
71.01321	2.1
71.04985	14.3
71.62825	1.0
73.02873	2.7
76.08159	0.6
79.05485	33.2
80.05807	0.9
81.03407	18.2
81.07049	36.6
82.07372	0.7
83.01333	8.4
83.04483	0.9
83.04971	16.0
83.08610	22.3
84.05261	0.8
85.02430	1.0
85.02897	14.6
85.06532	4.3
86.03269	0.9
86.09647	1.0
87.04459	52.4
91.03882	2.0
91.04890	0.8
91.05471	21.4
93.07036	33.5
95.04955	13.1
95.08043	1.2
95.08595	14.7
97.02887	8.5
97.06524	8.3
97.09544	1.1
97.10150	17.9
99.03843	1.1
99.04446	21.8
99.08044	2.0
101.05995	0.9
103.05430	1.0
105.04504	0.7
105.06372	1.1
105.07024	14.4
107.04949	11.8
107.08586	20.1
109.02831	1.3
109.05876	0.9
109.06510	9.0
109.10144	54.9
110.10444	1.3
111.04428	5.2
111.08067	5.1
113.06005	1.2
115.03895	1.4
115.05431	0.9
117.07013	10.3
119.07777	1.2
119.08566	16.4
121.06493	5.4
121.10130	9.9
123.04382	2.6
123.08059	10.3
123.11661	1.5
124.99960	0.8
125.05935	3.0
125.08758	0.9
125.09624	14.8
127.03846	2.9
129.05432	1.3
129.06995	4.4
130.07713	1.5
131.08543	6.4
133.06425	1.3
133.10103	5.3
135.08054	3.2
135.11673	14.8
137.05923	1.4
137.09607	5.1
139.03882	1.2
143.08510	1.9
143.10623	2.0
145.04919	0.9
145.06453	1.1
145.10107	21.9
146.10423	1.0
147.04376	0.9
147.08054	3.4
147.11635	2.7
149.09575	2.8
151.11105	1.9
153.12764	3.8
155.08481	2.4
155.10655	2.7
157.10110	1.9
157.12167	1.2
159.11615	1.0
161.09557	1.1
161.13174	1.3
163.11168	26.5
164.11429	0.9
165.09103	1.0
173.09595	4.9
173.11717	17.8
175.11180	2.0
177.05502	0.8
181.12239	5.4
184.07333	2.3
189.11183	1.6
191.10646	5.7
193.12167	2.6
199.11551	1.2
199.13277	12.2
209.11685	10.9
210.07213	0.7
211.13257	1.9
223.13243	2.5
227.12740	12.4
229.14333	61.0
230.14497	0.9
241.14381	5.6
253.14290	1.5
257.13751	2.7
265.14279	2.1
267.15936	4.2
283.15366	93.6
284.15652	2.5
285.17053	1.4
291.19498	0.8
306.27722	1.1
311.14844	6.0
315.17947	9.8
407.24374	4.6
425.25275	20.2
437.25311	100.0
438.25546	5.6
459.27597	1.6
475.27136	0.9
477.28574	2.5
491.26465	2.7
509.27505	2.5
523.29022	3.9
540.33868	1.1
541.29706	4.2
543.37292	0.7
558.35284	1.7
576.36005	1.5
738.39404	1.1
739.35303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01867	5.4
55.05505	24.3
57.03428	15.5
57.07050	1.1
59.04992	26.1
61.02910	3.6
65.03925	1.2
67.05495	60.0
68.05826	1.5
69.03426	4.3
69.07064	7.3
70.21962	3.1
71.01337	0.9
71.04624	1.0
71.04984	8.6
73.02898	2.4
79.05484	22.5
80.05817	1.0
81.03407	11.4
81.07047	24.9
82.03711	0.8
82.07367	1.0
83.01339	4.6
83.04975	9.6
83.08607	15.1
85.02897	6.9
85.06522	2.0
86.09722	1.0
87.04459	36.7
91.03930	1.0
91.04896	0.7
91.05469	15.9
93.07034	26.1
94.07346	0.8
95.04958	11.0
95.08599	19.4
96.08908	0.8
97.02886	5.5
97.06521	4.9
97.10157	7.5
99.04436	9.4
99.08054	0.8
105.07025	10.1
107.04948	9.3
107.07854	1.1
107.08578	19.7
108.08979	0.6
109.02857	0.8
109.06501	5.9
109.10143	50.4
110.10452	0.9
111.04415	3.4
111.08054	4.5
113.05992	1.0
114.34398	0.7
115.03873	0.7
117.07018	7.4
119.07770	1.2
119.08575	13.5
121.02837	0.8
121.06489	3.5
121.10121	9.4
123.04382	1.9
123.08069	4.8
125.05997	2.9
125.09605	7.1
127.03890	2.0
129.05453	1.1
129.06979	2.2
130.07729	1.0
131.04932	1.0
131.08563	3.0
133.10127	4.5
135.08032	2.9
135.11671	23.6
136.12003	0.6
137.09590	3.3
139.07516	1.8
143.08549	2.1
144.19888	0.6
145.06573	0.9
145.10101	18.6
147.08017	2.8
147.11667	1.8
149.09561	1.1
151.11072	0.7
153.12747	2.6
155.08536	0.9
155.10663	2.9
157.10095	1.3
159.11713	1.0
163.11159	35.1
164.11526	1.2
173.09598	2.7
173.11734	16.7
173.13123	0.8
181.12207	6.5
184.07275	2.0
189.11140	0.8
191.10658	3.0
193.12173	2.2
195.13622	0.7
199.13269	7.7
209.11633	6.4
211.13290	1.5
223.13251	1.0
223.61621	0.8
227.12746	38.9
228.13145	1.0
229.14320	63.8
230.14677	2.2
241.14345	2.0
257.13794	0.9
259.15610	0.9
265.14337	1.4
267.15778	3.8
274.18896	0.8
283.15372	68.6
284.15756	3.2
301.16379	1.3
311.14789	4.1
315.18011	8.3
379.24637	0.8
407.24088	1.4
425.25217	8.1
437.25308	100.0
438.25644	7.1
459.27631	1.1
477.28653	1.3
491.26398	1.2
509.27460	2.0
523.28906	3.8
541.29523	4.0
558.34991	0.9
738.40552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
54.97240	1.5
55.01864	9.3
55.05504	38.8
57.03178	1.5
57.03429	16.8
57.07062	3.3
59.05001	2.0
61.02921	19.4
62.07520	1.3
63.29464	1.4
65.03918	3.8
67.05495	84.9
67.21853	1.3
69.03416	20.2
69.07057	24.9
70.05520	6.9
71.01319	3.4
71.04985	17.9
73.02925	7.9
77.03913	1.7
79.05482	63.3
81.03405	55.2
81.03901	2.4
81.07044	80.8
83.04967	21.3
83.08610	22.6
85.02415	1.9
85.02893	24.1
85.06532	7.8
86.09626	1.7
87.02902	1.4
87.04432	2.4
91.03951	7.1
91.05466	60.9
92.05784	2.0
93.07029	67.1
93.07618	3.5
95.04951	26.8
95.08594	48.0
97.02878	24.0
97.06506	11.7
97.10155	19.4
98.21463	1.7
99.04426	4.4
99.08062	6.6
99.15863	1.4
101.02351	1.5
103.05438	3.5
105.04506	2.3
105.07014	60.0
107.04935	13.4
107.08571	40.7
109.02833	8.7
109.06503	12.2
109.09449	2.3
109.10147	31.6
111.04428	8.1
111.08070	9.9
113.05944	2.0
113.09669	2.0
115.05405	4.0
117.07008	27.3
119.08562	41.6
121.06495	10.9
121.10124	28.6
123.04408	4.5
123.08048	9.6
123.11681	10.2
125.09621	17.8
127.03918	8.0
128.06172	6.6
129.05461	3.0
129.06989	22.5
131.08551	42.9
133.06479	7.2
133.10109	35.2
135.08026	12.9
135.11687	12.9
137.09584	6.1
139.11169	2.5
141.06905	7.0
142.07774	8.2
143.08537	23.4
144.09306	1.7
145.06448	5.2
145.10100	33.3
147.08043	9.6
147.11662	22.5
149.09619	12.7
149.13200	4.3
151.11165	8.2
153.06984	2.4
153.09082	2.4
153.12729	2.4
155.08516	12.7
156.09309	2.8
157.10106	31.9
159.07990	5.4
159.11665	21.4
161.09599	7.8
161.13208	9.8
163.11156	8.1
163.14697	2.2
165.06987	2.0
165.12743	3.6
167.08539	5.9
167.10602	1.7
168.09230	2.4
169.06519	2.0
169.10103	16.8
169.12213	2.2
170.10803	1.7
171.08028	1.8
171.11676	18.4
172.12004	1.9
173.04462	2.4
173.09567	6.7
173.11856	2.5
173.13225	14.9
175.11121	11.8
175.14825	2.6
177.12686	3.5
179.08591	3.8
179.10577	2.7
181.10133	7.6
181.12189	3.3
183.11656	13.3
184.07277	2.7
185.09583	2.7
185.13214	12.6
186.58017	1.5
187.11139	3.7
187.14735	6.2
189.11156	5.8
189.12575	2.7
191.10559	2.4
193.10326	3.4
193.12193	18.6
195.11682	8.1
196.27621	1.6
197.13235	8.8
199.11166	3.3
199.14825	8.3
201.12686	2.6
201.16408	1.9
203.14326	1.7
205.15823	1.5
207.11716	5.0
207.13718	2.2
209.13255	8.7
211.11249	2.7
211.13124	20.4
211.14828	4.6
213.16400	2.8
215.17749	2.0
217.15959	1.7
221.13249	4.6
223.14781	5.5
227.12689	13.3
229.14272	3.6
233.15334	2.7
237.16396	3.7
245.18976	3.5
247.14847	2.0
253.14114	9.4
255.17349	2.2
257.18973	2.7
259.20569	2.6
263.20145	1.5
265.19571	2.9
267.15817	11.0
273.18475	20.3
275.19998	6.4
283.15283	2.8
283.20523	4.4
285.16916	5.9
285.22055	3.3
287.20038	2.3
291.19501	26.9
297.21893	3.1
299.23618	7.6
301.21594	3.4
311.19830	1.6
313.21317	1.8
323.23578	2.0
325.21204	1.9
339.23050	2.1
347.22113	5.6
349.23611	2.3
353.24820	2.3
355.17392	2.7
357.24405	2.8
365.23190	21.3
366.23431	1.8
415.29947	5.0
421.25555	5.1
429.21002	6.8
433.31012	18.0
443.27786	4.1
451.32144	12.3
461.28442	2.5
469.33139	6.1
489.33514	3.7
495.29160	2.5
499.33875	3.4
507.34760	8.6
515.37085	1.8
517.35254	18.3
525.35730	82.2
526.36145	2.5
539.33594	5.0
543.36743	100.0
544.36737	4.5
557.36530	21.2
575.39856	35.3
679.40057	3.2
687.40302	4.8
701.38757	4.7
705.41687	4.2
719.39832	18.9
737.44141	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	737.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	10.5
55.01862	18.8
55.05502	51.4
57.03431	21.8
57.07061	4.3
57.47791	1.4
59.04961	2.4
59.50400	1.5
61.02922	7.8
65.03923	5.9
67.05493	78.1
68.05800	3.1
69.03418	30.8
69.07056	42.4
69.90835	7.5
69.91250	2.4
71.01330	3.0
71.04996	13.0
73.02900	3.3
75.53127	1.6
77.03928	1.8
79.05478	76.3
81.03403	100.0
81.07039	79.9
82.03713	1.8
82.07366	2.5
83.04971	29.4
83.08138	2.3
83.08605	36.3
85.02885	24.3
85.06505	6.1
86.09697	2.3
87.04440	1.5
91.03915	2.9
91.05463	65.1
92.05798	2.8
93.07027	66.6
94.07334	2.2
95.04950	43.5
95.08583	38.0
96.08891	1.9
97.02875	26.5
97.06512	19.3
97.10149	30.6
99.04443	11.0
99.08066	3.3
101.02352	2.1
103.05441	2.5
105.03378	1.6
105.04520	1.6
105.07005	51.2
106.07343	1.6
107.04932	22.8
107.08575	42.4
109.02858	16.6
109.06496	15.5
109.10134	25.1
111.04421	13.1
111.08054	15.7
113.05970	2.6
115.05442	3.7
117.06991	23.7
119.04895	3.8
119.08556	44.3
121.06477	14.0
121.10120	21.7
123.04372	6.0
123.08053	16.0
123.11654	5.2
125.05918	2.5
125.09592	24.5
127.03887	15.7
128.06279	3.3
129.05417	4.9
129.06967	18.5
131.04910	3.0
131.08554	33.2
133.06448	8.5
133.10095	27.9
135.04387	2.0
135.08055	12.8
135.11668	14.0
137.06000	1.9
137.09604	10.2
141.06963	3.4
142.07742	2.6
143.08548	9.6
145.06421	5.3
145.10095	23.9
147.04338	2.5
147.08020	17.7
147.11652	22.9
149.05936	2.6
149.09570	17.7
149.13206	5.5
151.07599	2.1
151.11176	3.4
153.09058	3.7
153.12689	6.2
155.08447	5.0
157.10091	19.8
159.08037	5.3
159.11676	11.1
161.09636	7.4
161.13231	3.6
163.11139	18.6
163.90562	1.8
165.08978	3.2
165.12689	5.5
167.08554	2.2
169.10124	4.9
169.12184	2.0
171.07964	2.2
171.10179	2.2
171.11649	5.3
173.04436	6.5
173.09590	5.2
173.13161	4.6
175.11157	15.9
177.09087	1.6
177.12645	3.6
179.14331	2.2
181.10101	1.9
181.12241	5.2
183.08054	1.6
183.11615	3.7
184.07327	7.5
185.07672	2.3
185.09645	2.4
185.13199	5.0
187.11134	4.0
187.13159	1.8
187.14772	2.4
189.11176	13.2
189.12708	3.6
191.10622	4.1
193.10594	3.0
193.12206	33.3
195.11678	2.6
195.13649	3.3
197.13176	2.7
201.12733	1.9
205.12122	3.8
209.11659	5.2
211.11346	1.9
211.13234	40.3
211.15228	2.3
213.12814	2.0
215.14313	2.0
219.13768	1.8
223.13141	10.8
227.12721	31.4
228.13104	2.3
229.14227	6.9
231.13702	2.2
239.18066	1.9
243.15907	1.6
247.13094	2.1
247.20651	2.2
249.14828	5.1
253.14322	2.4
255.13675	2.0
255.17291	2.8
257.19016	3.1
265.14108	2.4
267.15839	27.9
273.18457	27.6
274.18643	2.0
275.20032	25.6
283.12698	2.1
283.15369	18.7
283.20346	1.7
285.16956	16.4
289.18030	2.0
291.19476	74.2
292.19708	2.5
301.14117	3.3
313.21576	4.3
319.15445	3.4
331.22552	2.0
333.20282	1.6
337.16586	1.8
347.22009	7.1
349.23877	7.3
355.17374	4.2
365.23163	29.2
411.20160	2.7
423.27155	2.0
429.21100	13.1
435.23294	3.1
437.25385	3.2
453.24490	2.1
459.27176	5.9
461.28851	2.4
465.29282	2.2
477.28415	11.8
483.30838	2.8
495.29187	5.3
503.33646	2.6
525.35437	1.8
527.36981	2.7
528.37531	22.0
529.35168	2.5
539.33478	8.0
543.36700	2.4
557.34637	57.0
558.34949	2.2
575.35608	42.1
576.35767	1.8
593.36322	1.7
621.32178	5.8
639.33307	4.9
683.37256	2.4
701.38965	8.4
719.39886	30.4
720.40332	2.6
737.41333	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	737.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	12.7
53.22668	1.6
54.70594	1.6
55.01863	22.9
55.05500	45.5
57.03428	22.3
57.07052	5.6
59.04972	1.8
61.02906	5.1
65.03928	7.7
67.05495	100.0
68.53188	1.4
69.03418	35.1
69.07053	33.6
69.07408	3.3
69.32569	11.8
69.32988	5.4
70.11574	1.4
71.01330	2.6
71.04976	15.7
73.02905	6.8
77.03900	1.7
79.05481	76.8
79.50637	1.5
81.03406	92.0
81.07044	90.6
83.04968	30.1
83.08611	31.7
85.02888	30.6
85.06517	6.9
87.04410	2.1
91.03928	4.0
91.05468	71.7
93.07027	67.4
94.07316	1.8
95.04951	41.7
95.08588	53.3
96.05724	1.8
97.02879	33.8
97.06508	21.7
97.10159	16.7
99.04424	10.0
99.08059	4.4
101.02351	2.6
103.03915	2.2
103.05472	2.5
105.07008	58.3
107.04265	2.2
107.04942	24.3
107.08582	41.4
109.02853	16.8
109.06497	14.4
109.10139	40.3
111.04424	11.7
111.08070	14.1
113.09621	1.8
115.03886	2.9
115.05447	5.9
117.07018	21.1
119.04917	3.8
119.08566	47.7
121.06509	13.2
121.10117	23.7
123.04389	3.6
123.08056	15.3
123.11658	6.9
125.05988	3.6
125.09607	16.5
127.03905	15.9
127.07522	2.4
128.06192	5.4
129.05440	6.4
129.06981	20.6
131.04831	2.0
131.08543	33.2
132.05721	1.4
133.06451	9.5
133.10109	32.5
135.04385	3.7
135.08032	10.5
135.11668	13.6
137.06004	2.3
137.09616	13.0
139.07507	2.3
140.43042	1.5
141.07027	3.5
141.09021	1.8
142.07797	3.3
143.03438	1.7
143.07013	2.0
143.08517	14.0
145.04855	2.0
145.06454	4.7
145.10101	27.0
147.04396	3.2
147.08023	10.0
147.11661	23.9
149.05826	2.2
149.09590	20.6
149.13168	5.1
151.07524	2.6
151.11156	7.1
153.06993	1.8
153.09073	3.5
153.12665	3.1
155.08521	6.6
155.10641	2.7
156.90758	1.6
157.06490	2.6
157.08835	2.8
157.10085	20.1
159.08034	4.8
159.11636	16.2
161.09592	8.7
161.13222	5.7
163.11151	12.5
165.06953	2.1
165.09062	2.2
165.12750	6.4
165.35837	1.8
167.08519	4.0
167.10626	2.1
169.10124	7.2
171.06604	1.8
171.08051	2.6
171.10304	2.3
171.11638	10.2
173.04456	12.0
173.09607	6.5
173.11703	8.5
173.13246	7.2
175.07574	2.1
175.11139	15.7
175.14706	2.4
177.12703	5.0
179.10603	1.7
179.14217	3.7
181.10088	3.7
181.12201	3.4
183.11676	5.0
184.07300	2.6
185.09642	2.4
185.13184	6.0
187.07518	1.8
187.11198	5.1
187.13130	1.9
189.11165	8.4
189.12694	3.6
191.10629	4.4
193.10413	2.6
193.12198	25.8
195.11684	3.6
195.13588	1.8
197.13153	2.5
199.05934	2.6
199.11237	3.5
201.12827	2.7
203.10637	2.6
203.14351	2.4
205.12225	2.9
209.11652	4.5
209.13371	2.5
211.11272	3.1
211.13231	28.9
213.12732	3.0
215.14438	2.6
219.13861	1.7
227.12617	12.5
229.12105	2.7
229.14261	20.0
229.19472	2.1
231.13751	2.8
239.18011	1.9
243.15866	4.5
245.19009	3.0
249.14771	2.5
253.14369	3.4
257.18979	7.9
263.20047	3.7
267.12692	2.2
267.15851	18.9
269.17404	2.7
273.18481	16.9
275.19998	29.5
283.15320	5.3
285.16968	14.3
287.19955	2.0
289.17856	2.4
291.19485	23.1
293.21277	2.2
297.18597	1.7
299.14737	2.0
301.16415	4.7
303.19839	1.6
311.19949	2.0
319.15323	1.8
329.21057	2.7
331.22504	2.3
341.20874	1.7
347.22079	5.7
349.23746	13.7
355.17545	1.8
365.23322	12.0
366.23212	2.0
403.24420	2.2
421.25711	5.4
429.21173	2.7
435.22830	1.9
439.26794	9.1
445.20544	1.7
453.28223	5.5
461.28513	2.5
465.29889	2.0
477.28665	1.7
479.75073	1.8
491.26083	2.2
503.33508	7.1
509.27243	3.3
521.34277	1.8
525.35602	7.8
529.35284	2.9
539.33887	7.7
543.36780	10.5
557.34564	27.2
575.35443	22.7
576.35901	2.0
583.31061	4.1
593.36469	2.2
599.35120	2.6
683.36829	2.8
701.38239	5.0
719.39734	16.6
737.41223	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	736.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.5
56.05012	0.5
57.07043	0.4
58.06595	0.3
58.22765	0.2
60.08151	5.9
66.30759	0.1
67.05481	1.0
69.07051	0.5
71.07359	2.9
71.08610	0.6
71.62712	0.3
79.05478	0.9
81.03398	0.4
81.07034	1.0
83.08576	0.3
85.02877	0.2
85.10183	0.2
86.09690	31.3
87.10014	0.3
91.05489	0.8
93.07030	0.8
95.04961	0.2
95.08585	1.0
97.06535	0.3
98.98440	2.8
104.10725	2.1
105.07002	0.5
107.08575	0.6
109.06550	0.2
109.10151	0.4
111.04436	0.2
115.08223	0.2
117.06993	0.3
119.08528	0.4
119.25669	0.2
121.10146	0.4
124.99981	19.6
131.08546	0.2
133.10112	0.4
135.11642	0.4
143.01012	0.4
145.10110	0.4
147.11548	0.2
149.09573	0.2
163.11209	0.3
166.02708	0.2
184.07304	100.0
185.07642	1.1
209.11736	0.2
250.43320	0.2
279.16025	0.3
283.15326	0.5
301.16391	0.8
313.27292	1.4
335.25714	0.2
496.33908	0.4
521.38507	0.3
539.39148	0.7
602.97943	0.2
650.16278	0.2
704.43994	0.3
736.47491	10.8
737.35333	0.4
737.47345	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
55.01864	16.8
55.05504	32.6
57.03429	16.3
57.07046	1.7
59.04967	2.1
61.02904	4.9
65.03928	5.3
67.05495	81.6
68.05814	1.9
69.03419	15.6
69.07056	29.3
69.14067	1.3
69.50163	7.4
69.50575	1.8
71.04978	9.9
73.02884	2.9
73.06541	2.8
75.84623	1.0
77.03910	2.2
79.05480	100.0
80.45775	0.9
81.03403	35.8
81.07045	96.6
83.04974	24.5
83.08601	16.7
85.02897	13.1
85.06526	4.3
86.09688	1.5
87.04453	1.5
90.96957	1.0
91.03943	2.0
91.05467	86.8
93.07029	97.6
94.07365	1.8
95.01283	1.5
95.04956	31.4
95.08592	47.4
97.02875	11.4
97.06514	23.5
97.10151	9.5
98.21543	2.4
99.04426	4.8
99.08083	3.5
105.04504	2.4
105.07012	75.2
107.04930	18.4
107.08577	42.5
109.02867	6.6
109.06509	12.3
109.10143	19.0
111.04418	3.4
111.08097	5.8
115.05438	3.9
117.06198	1.9
117.06998	25.1
119.08562	53.9
121.06483	7.2
121.10123	17.4
123.04383	2.3
123.08047	9.6
123.11663	3.3
124.99934	1.2
125.05962	1.6
125.09589	7.4
127.03896	8.0
127.07517	2.4
128.06184	3.1
129.05461	2.8
129.06978	23.7
130.07791	1.5
131.04897	2.0
131.08557	26.8
133.06467	4.9
133.10114	34.1
135.08041	6.7
135.11671	9.7
137.09572	4.9
137.13168	1.1
139.07539	1.1
141.06937	3.4
142.07761	1.6
143.08542	16.4
145.06462	3.7
145.10106	29.1
147.08037	5.6
147.11668	43.6
148.11958	1.1
149.09581	16.3
149.13261	6.8
151.11131	3.2
154.93074	1.1
155.08505	4.9
156.09236	1.7
157.10114	6.3
159.08087	2.5
159.11659	16.6
159.12982	1.4
161.09579	7.4
161.13232	16.0
163.11174	9.0
165.08997	1.7
165.12744	2.3
167.07162	1.1
167.08545	2.8
169.10120	4.3
171.08109	1.2
171.11662	30.8
173.04456	11.3
173.09618	2.3
173.11807	1.8
173.13248	6.7
175.11198	3.7
177.12714	3.6
179.14256	2.8
181.10065	2.3
183.11667	4.1
184.07303	2.9
185.13176	2.8
187.11157	2.1
187.14767	1.7
189.11169	2.9
189.12711	10.9
191.14304	1.6
195.11639	2.4
197.13234	3.5
199.14801	1.9
203.14256	1.3
207.13782	30.6
211.14731	1.5
213.16376	1.3
217.15865	2.1
223.14828	1.8
225.14778	3.3
227.10580	0.9
227.12714	17.3
229.14340	1.8
229.19487	2.5
231.13747	1.5
239.17937	4.0
241.15910	1.7
247.16893	1.4
247.20529	3.0
253.14233	1.3
257.18927	11.6
267.15891	2.5
269.17484	3.1
273.18591	1.3
275.20029	56.5
276.20334	1.5
279.15842	3.2
281.17435	80.6
282.17719	3.0
287.16278	3.0
291.19342	2.4
293.21042	3.6
299.20337	1.4
300.65353	1.2
305.17572	1.5
313.21811	2.0
331.22620	3.9
339.18173	1.3
349.23700	34.6
367.24701	4.7
377.23291	2.7
389.19189	1.2
413.21539	4.7
419.23672	1.4
425.21777	1.9
435.27353	5.8
445.31052	1.8
451.26816	6.2
459.30756	4.6
475.30530	54.4
476.30725	3.6
493.28159	1.3
497.32217	1.7
511.28860	1.3
515.33661	3.6
527.36902	4.3
537.35669	7.8
555.36792	67.3
556.36884	4.6
573.37817	15.7
597.37146	1.5
619.34619	15.5
620.34906	1.6
699.40955	4.5
717.42139	5.3
735.40894	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	735.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.9
55.01866	7.1
55.05260	1.9
55.05505	27.5
57.03437	13.1
57.07066	2.6
61.02914	4.8
65.03928	5.1
67.05495	76.5
69.03423	19.1
69.07056	21.3
71.01338	1.8
71.04988	8.7
73.02907	2.4
79.05484	81.0
81.03410	42.2
81.07046	89.2
82.07368	3.0
83.04976	22.5
83.08609	13.4
85.02892	8.1
85.06522	6.4
87.04452	2.7
91.03932	2.5
91.04878	2.3
91.05467	64.7
93.07034	86.8
95.04963	26.8
95.08595	40.6
97.02883	9.4
97.06519	13.4
97.10155	5.5
98.20740	2.5
99.04459	6.8
105.04435	1.4
105.07016	60.2
106.07398	2.2
107.04943	14.2
107.08578	35.3
109.02872	8.1
109.06514	12.1
109.10132	20.0
111.04440	3.6
111.08055	5.2
113.05986	2.1
115.05446	2.8
117.07003	21.0
119.08562	44.1
121.06499	5.7
121.10130	14.1
122.34621	1.5
123.04404	1.9
123.08044	10.0
123.11665	4.3
125.09632	1.6
127.03903	6.5
127.07575	1.7
128.06200	4.6
129.05461	4.3
129.06987	17.8
131.04897	1.5
131.08536	19.0
133.06462	4.2
133.10109	22.5
135.08046	7.7
135.11673	10.4
137.09604	3.4
141.06950	3.3
143.08528	13.3
145.06488	2.5
145.10112	19.4
147.08020	4.9
147.11665	36.0
149.09583	6.2
149.13258	9.9
151.11166	5.1
155.08511	3.0
157.10130	4.0
159.08075	3.3
159.11673	12.7
161.09630	5.5
161.13231	10.9
163.11128	4.0
169.10078	2.8
171.11652	22.3
173.04430	15.4
173.13298	4.4
175.11302	2.3
177.12746	3.7
183.11655	3.5
184.07286	6.2
189.11301	1.5
189.12724	7.6
195.13803	3.7
197.13248	1.9
207.13762	19.8
225.14830	1.9
227.12759	1.9
229.19478	2.5
229.28172	1.7
239.17889	2.5
247.20670	2.0
253.14435	5.2
257.18967	7.8
266.81384	1.4
267.15884	2.3
269.15048	2.0
269.17511	4.9
273.18610	2.3
275.20038	31.4
281.17438	51.4
282.17981	1.8
291.19556	3.0
293.21088	2.1
330.96494	1.4
331.22687	2.3
349.23663	16.5
350.41269	1.5
395.20276	2.2
413.21692	10.2
416.07397	1.5
425.21414	1.8
468.72241	2.2
475.30527	100.0
476.30936	4.8
537.36359	2.0
555.36841	34.6
573.37842	10.5
619.34747	29.7
717.40845	4.3
735.40149	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	735.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68671	1.6
53.03942	8.0
53.79715	1.9
55.01864	18.1
55.05256	2.8
55.05504	31.1
55.26231	1.8
57.03438	10.3
57.07064	2.6
61.02913	5.3
62.95535	1.8
65.03928	8.1
67.05495	91.6
68.05827	2.3
69.03418	17.2
69.07056	31.3
69.75979	10.9
71.04977	9.6
73.02883	3.4
73.06558	2.1
77.03919	1.8
79.05480	100.0
80.05821	2.2
81.03407	37.1
81.07045	95.2
83.04973	21.1
83.08601	16.8
84.05292	2.1
85.02895	10.9
85.06532	7.4
86.09692	5.4
87.04488	2.1
91.03975	2.4
91.05470	96.3
92.05808	1.7
93.07030	95.1
94.07355	3.6
95.04955	27.5
95.08595	47.8
95.28265	1.9
97.02872	11.7
97.06512	30.8
97.10147	6.1
99.04473	4.5
99.08074	2.8
103.05479	4.0
105.04540	2.5
105.07015	77.3
106.07329	2.5
107.04939	20.5
107.08575	40.5
109.02863	5.7
109.06494	14.1
109.10139	21.7
110.10508	1.9
111.04416	2.3
111.08073	4.8
111.18757	1.6
113.06006	1.8
115.05450	3.9
117.06998	25.2
119.08560	50.1
121.06489	6.5
121.10120	20.3
123.08041	12.2
123.11709	3.7
124.99989	2.9
125.05930	2.1
125.09615	4.7
127.03894	8.2
128.06213	4.4
129.06993	23.7
131.08549	30.4
133.06480	4.9
133.09146	1.5
133.10103	36.2
135.08063	4.9
135.11700	12.7
137.09607	5.8
141.06963	3.8
141.72557	1.6
142.07700	2.1
143.08539	13.4
145.06454	4.0
145.10100	26.0
147.08049	6.8
147.11665	43.9
149.09593	12.9
149.13210	6.0
151.11195	4.9
155.08580	5.2
156.09299	2.6
157.10117	8.7
159.11659	15.2
161.09630	7.3
161.13217	15.3
163.11217	9.0
165.12726	1.9
169.10051	4.4
171.10217	3.6
171.11647	31.1
173.04428	15.7
173.09586	4.2
173.13261	7.0
175.11162	3.6
177.12750	5.3
179.14270	3.2
181.10098	3.1
183.11652	5.3
184.07321	17.9
185.13190	3.5
189.12721	14.5
191.14294	1.9
195.13702	2.2
197.13187	3.1
198.61562	1.8
199.14842	5.0
201.12689	2.0
207.13759	29.2
217.15837	4.9
227.12778	6.8
239.17992	3.5
257.19006	10.1
263.24631	1.5
269.17590	4.7
273.18512	3.2
275.20032	45.8
279.15948	3.8
281.17426	76.2
282.17740	2.7
291.19550	3.5
293.21146	7.4
299.19980	1.8
331.22739	3.3
349.23682	32.0
349.69736	2.1
364.34671	2.0
367.25015	2.6
373.24130	1.9
377.23148	4.2
413.21628	7.2
435.27396	2.4
451.26593	2.3
457.29492	2.6
459.30878	6.5
461.28851	3.0
475.30493	77.6
476.30573	4.8
490.35760	4.9
497.32800	3.3
527.37140	6.4
537.35767	6.0
555.36786	53.3
573.37640	14.3
597.37506	2.0
619.34808	17.4
681.39252	2.2
717.42072	3.3
735.43158	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	734.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64399	0.1
55.05493	0.3
56.05025	0.6
57.03415	0.1
57.07059	0.4
58.06617	0.5
59.07383	0.1
60.08154	6.5
67.05494	0.5
69.07053	0.1
70.06579	0.1
70.22083	0.1
70.22486	0.2
71.07362	3.3
71.08608	0.3
79.05473	0.3
80.97404	0.1
81.03407	0.4
81.07043	0.5
83.04938	0.1
83.08611	0.2
85.02877	0.1
85.10159	0.2
86.09692	32.5
87.10001	0.4
90.39355	0.1
91.05465	0.4
93.07037	0.3
95.05006	0.2
95.08583	0.3
96.05184	0.1
98.20837	0.1
98.98444	3.2
99.05006	0.1
104.10732	2.8
105.07008	0.3
107.08563	0.2
109.10125	0.2
116.99470	0.1
119.08576	0.3
121.10130	0.1
124.99985	22.0
126.00372	0.1
131.08527	0.1
132.99547	0.1
133.10138	0.1
135.11736	0.1
135.16371	0.1
143.01035	0.4
145.10114	0.1
147.11728	0.2
166.02705	0.1
175.11160	0.1
184.07312	100.0
185.07672	1.1
186.96779	0.1
193.12132	0.2
211.13194	0.2
267.15793	0.1
285.17007	0.2
313.27280	0.6
315.23242	0.1
450.22849	0.1
497.41229	0.1
523.39905	0.7
551.42633	0.1
558.92987	0.1
593.45074	0.2
734.49524	8.9
735.49506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.05494	9.1
57.03424	11.1
57.07063	26.7
60.08140	1.2
67.05488	15.9
69.03409	1.9
69.07051	8.5
71.04967	3.1
71.08614	19.6
71.14124	0.9
71.62865	1.6
73.02896	1.2
74.09705	4.5
79.05482	11.2
81.03400	32.0
81.07037	21.2
82.54796	1.1
83.04970	7.6
83.08601	18.1
85.02882	12.6
85.06516	1.8
85.10164	13.7
86.09692	6.9
89.06013	1.4
91.05461	15.9
93.07027	9.3
95.01313	2.1
95.04948	13.3
95.08587	20.5
97.02852	2.0
97.06496	2.2
97.10139	6.7
98.05945	0.9
105.07008	12.1
107.04945	2.8
107.08581	4.5
109.06464	2.5
109.10131	9.0
111.04384	1.6
111.08053	5.1
113.05960	1.1
117.07037	1.4
119.08574	8.8
121.06519	1.0
121.10108	5.0
123.08031	2.7
123.11681	3.0
124.99966	4.5
125.09604	2.3
129.06937	5.5
131.08569	6.1
133.06491	1.4
133.10130	5.6
135.11623	1.2
137.13152	1.3
141.01837	2.5
143.10638	3.5
145.10051	2.0
145.65054	0.9
147.07942	1.5
147.11665	8.7
149.09586	3.1
157.10092	7.9
165.12738	0.9
175.11169	7.9
184.07298	28.3
185.07512	1.0
193.12196	20.8
211.13263	27.4
239.23663	3.7
257.24640	1.5
267.13181	0.7
267.15833	15.5
285.16904	39.4
286.17322	1.1
299.14777	1.5
313.27298	82.7
314.27759	1.8
415.26779	1.7
419.72815	1.0
441.91125	1.0
489.30148	1.1
505.38837	23.8
523.39850	100.0
524.40137	5.2
537.38678	1.0
543.20587	1.0
734.34601	5.2
734.46973	1.8
757.14386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01865	1.2
55.05503	10.1
57.03426	12.0
57.07067	26.0
60.08154	3.5
65.03919	1.0
67.05167	1.2
67.05494	16.9
69.03429	1.5
69.07057	10.2
69.28613	8.2
71.04978	1.8
71.07353	1.6
71.08620	21.1
73.06516	0.7
79.05479	14.3
81.03407	39.2
81.07044	24.6
83.04961	9.3
83.08603	20.6
85.02891	18.0
85.06523	1.2
85.10168	11.3
86.09694	11.6
87.04450	0.8
89.06033	1.1
91.05467	19.1
93.06474	0.9
93.07030	11.4
95.01311	2.0
95.04953	17.0
95.08595	19.5
97.02869	2.0
97.06503	2.8
97.10159	5.5
98.98447	1.1
99.08067	1.1
104.10708	1.3
105.07014	13.2
107.04313	0.9
107.04936	5.1
107.08585	5.8
109.06527	3.3
109.10149	7.8
111.04421	1.3
111.08061	7.7
113.02357	1.2
113.05997	1.9
116.14744	0.7
117.06995	1.7
119.08560	11.7
121.06477	1.3
121.10119	6.5
123.08036	2.1
123.11671	4.0
124.99996	7.9
125.09566	0.8
129.06999	6.2
131.08527	7.0
133.06462	2.1
133.10103	7.7
135.07953	0.7
137.09598	1.5
137.13228	1.7
141.01764	3.9
142.07773	1.9
145.10165	1.3
147.08054	1.6
147.11661	11.9
149.09561	4.3
155.08678	0.7
157.10092	10.9
163.11119	1.1
165.12686	1.8
175.11169	11.6
184.07312	47.1
193.12219	30.4
209.70926	0.7
211.13258	45.3
239.23622	2.7
257.24838	1.8
267.12979	1.3
267.15854	20.8
285.13647	1.2
285.14572	1.1
285.16922	59.1
313.27307	65.4
314.27579	1.1
505.38727	15.6
506.39404	0.9
523.39868	100.0
524.40271	2.2
677.60358	0.7
734.49200	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	734.43
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03943	2.2
55.01864	5.4
55.05499	15.4
57.03141	0.6
57.03423	10.9
57.07061	2.4
59.04988	5.7
61.02912	4.6
65.03935	3.4
67.05490	100.0
68.05022	0.7
68.05822	1.1
69.03414	6.3
69.07053	28.1
70.10572	0.4
71.01331	0.8
71.04980	5.3
71.08615	2.6
73.02914	1.5
79.05474	23.8
80.05820	0.6
81.03403	11.5
81.07040	35.2
83.04964	6.8
83.08599	11.7
85.02883	5.7
85.06517	4.1
86.09695	1.3
87.04440	0.7
89.60838	0.4
91.03931	2.0
91.05460	26.4
92.05762	0.6
93.07025	24.8
95.04955	8.1
95.08586	24.2
97.02863	4.6
97.06505	8.5
97.10146	5.5
98.98449	0.6
99.04446	1.5
99.08073	3.0
101.05990	0.6
103.03939	0.6
105.04520	0.9
105.07008	16.4
106.07283	0.5
107.04938	5.9
107.08571	15.3
109.02845	1.3
109.06514	3.3
109.10132	76.5
110.10463	1.2
110.12299	0.5
111.04452	0.7
111.08063	5.3
113.05981	0.6
113.09641	0.9
117.07001	7.5
119.04947	1.0
119.08558	19.3
121.06476	2.7
121.10124	7.2
123.04415	0.9
123.08014	3.1
123.11682	1.7
125.09596	4.1
127.03916	2.4
127.11165	0.9
128.06149	0.8
129.05478	1.7
129.06973	3.7
130.07814	0.5
131.08528	9.1
133.06479	1.5
133.10114	10.2
134.10388	0.5
135.08038	2.5
135.11652	7.5
137.09586	11.8
137.13287	0.5
139.11130	1.0
143.08549	2.4
143.10698	0.6
145.04901	0.7
145.10098	7.5
147.08002	1.2
147.11642	6.0
149.08418	0.6
149.09587	10.3
149.13226	2.4
151.11174	2.5
153.09114	0.7
155.00922	0.4
155.08571	0.8
155.10602	3.8
157.10077	3.0
159.11624	5.0
161.09601	2.1
161.13226	4.1
163.11169	4.3
163.14731	0.6
165.09093	1.1
165.12767	0.7
167.10609	0.8
169.10080	1.3
171.10185	1.1
171.11644	1.8
173.04445	1.1
173.11722	25.7
173.13219	3.0
175.11151	1.8
175.14731	0.5
177.12735	2.0
179.14261	5.4
183.11641	1.5
184.07356	2.3
184.13274	0.6
185.09415	0.5
185.13255	0.7
187.11113	1.1
187.14728	1.0
189.11159	1.4
189.12648	1.0
189.16412	0.7
193.12184	1.7
195.13719	1.0
197.13219	0.9
198.14897	0.5
199.13202	1.2
201.12704	0.7
207.13751	0.7
209.11665	0.5
211.13185	0.8
223.13147	1.0
227.12746	3.8
229.14302	53.5
229.19206	1.1
230.14534	0.9
236.16624	0.7
239.17917	1.1
243.16010	0.6
245.19073	0.6
247.20496	1.5
253.14244	1.3
255.15797	1.4
257.13818	0.4
257.18893	3.1
261.22009	0.9
267.15939	2.2
269.17310	0.7
273.18503	2.4
274.19016	0.8
275.19995	13.3
277.21719	1.1
285.16830	0.7
291.19525	4.1
293.20898	1.7
299.14752	0.8
317.24756	1.0
321.24112	0.9
325.20029	5.2
347.22141	0.7
349.23657	17.0
350.23969	0.8
351.25385	0.5
352.92444	0.4
355.17197	0.6
365.22983	1.7
373.18445	1.1
383.24188	18.7
384.24329	1.0
397.25787	2.4
399.23834	0.6
400.49573	0.6
407.27811	5.5
408.28030	0.5
409.25513	1.6
421.25500	0.6
422.26324	0.6
423.27319	1.1
450.84592	0.5
451.26520	1.1
461.28635	0.7
489.35703	8.2
503.33575	27.1
504.33609	1.4
519.32587	1.3
521.34888	4.4
525.34808	0.6
527.28723	1.1
527.36951	2.5
543.28180	0.8
543.36700	14.5
544.36816	1.3
560.52362	0.5
593.40375	5.6
612.36108	0.5
623.13361	0.5
684.37970	1.6
734.42279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.3
55.14435	0.1
56.05029	0.6
57.07057	0.1
58.06618	0.5
60.08155	5.7
63.44911	0.1
67.05492	0.3
69.07048	0.3
70.06576	0.1
71.07360	3.0
79.05487	0.3
81.03400	0.2
81.07050	0.5
83.04945	0.1
83.08611	0.1
85.02906	0.1
86.09692	29.3
87.10022	0.2
91.05465	0.2
93.07009	0.3
95.04935	0.1
95.08599	0.2
98.98444	2.6
102.41261	0.1
104.10725	2.4
105.07033	0.4
107.08585	0.2
109.10146	0.2
111.45307	0.1
116.99472	0.1
119.08549	0.1
121.10181	0.1
124.99985	19.0
126.00314	0.1
131.08534	0.1
140.01054	0.1
143.01068	0.3
149.90131	0.1
159.11589	0.1
166.02676	0.2
184.07312	100.0
185.07660	0.8
216.79083	0.1
229.76178	0.1
332.71756	0.1
470.37253	0.1
522.35614	0.3
575.23438	0.1
635.24939	0.2
636.25476	0.3
714.46533	0.2
732.47986	9.2
733.48676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48745	1.1
52.19777	1.1
53.03937	1.3
55.01869	1.3
55.05507	7.5
55.09801	0.9
57.03428	7.8
57.07069	23.4
62.06366	0.9
67.05492	12.9
69.03411	1.5
69.07058	7.8
69.81187	6.5
71.04971	1.9
71.08620	17.9
74.09690	1.0
79.05482	11.9
81.07038	20.8
83.04962	2.9
83.08610	11.8
85.02928	2.2
85.10165	10.5
86.09670	6.0
89.05994	1.2
91.05465	5.6
93.07027	23.7
95.04939	4.3
95.08588	35.3
97.02886	3.7
97.06524	3.3
97.10154	2.9
99.04435	3.1
105.06992	4.0
107.04939	4.4
107.08574	20.7
109.06507	2.8
109.10130	7.0
110.10499	1.2
113.02396	1.9
117.06997	6.2
119.08568	7.9
121.06483	3.5
121.10111	8.6
123.11674	3.5
124.99989	4.1
125.05985	1.8
131.08566	1.4
133.10110	2.0
135.11665	36.9
137.13290	1.3
139.07521	1.4
141.01772	1.3
143.08435	1.1
145.10091	17.0
147.11678	1.4
159.11696	1.0
163.11153	47.1
164.11493	1.2
181.12212	8.4
184.07321	20.8
187.34418	1.4
209.11708	1.5
227.12749	51.7
236.14810	1.0
239.23668	1.9
257.24826	1.9
283.15350	91.5
284.15594	3.2
294.36462	1.2
313.27319	88.6
314.27643	2.4
345.98343	1.1
415.26120	1.3
438.53021	1.1
459.17996	1.2
521.38281	100.0
522.38757	9.1
535.39795	1.5
717.80798	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05026	0.5
57.04865	0.1
57.07066	0.2
58.06615	0.5
59.07384	0.2
60.08154	6.1
67.05478	0.4
69.07050	0.2
70.06570	0.1
71.04965	0.1
71.07361	3.0
71.32680	0.1
71.33028	0.2
79.05466	0.3
81.03388	0.2
81.07031	0.4
83.05012	0.1
83.08597	0.2
84.40102	0.1
85.02892	0.1
86.09691	28.3
87.10030	0.3
89.06030	0.4
91.05469	0.2
93.07024	0.4
95.04942	0.1
95.08599	0.4
97.10145	0.1
98.98444	2.5
104.10726	2.1
105.07011	0.2
107.08572	0.3
109.06468	0.1
109.10149	0.2
117.07000	0.1
119.08553	0.1
120.28542	0.1
121.10138	0.2
123.08072	0.1
124.99982	19.2
133.08603	0.2
133.10103	0.1
135.07945	0.1
142.19374	0.1
143.01038	0.3
145.10152	0.1
157.10098	0.1
166.02608	0.1
173.13199	0.1
177.11263	0.1
184.07307	100.0
185.07655	0.7
211.13396	0.1
285.16980	0.1
311.25897	0.1
468.23758	0.1
541.38861	0.1
714.47644	0.2
732.47992	7.4
733.48419	0.3
750.51166	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	731.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05501	1.9
57.03424	2.0
57.07074	0.4
61.02916	5.8
67.05490	5.9
69.03417	3.8
69.07061	1.8
71.01322	0.3
71.04984	0.6
71.08629	0.3
73.02914	3.8
79.05487	3.4
81.03415	1.5
81.07043	6.6
83.04977	0.5
83.08598	1.4
84.91386	0.3
85.02885	5.4
86.09729	0.4
86.56015	0.3
87.04505	0.3
89.59064	0.3
91.03938	3.7
91.05472	2.0
93.07030	5.8
95.04975	0.8
95.08595	3.7
97.02879	4.9
97.06513	0.5
97.10164	0.5
99.04452	1.1
99.08037	0.3
101.02383	1.8
103.03951	0.6
105.07031	1.5
107.08577	3.1
109.02854	0.9
109.06492	0.4
109.09547	0.3
109.10123	1.6
111.08069	0.3
114.70821	0.3
115.03932	0.4
117.06998	0.6
119.08592	1.3
121.10120	2.0
123.62861	0.3
127.03867	2.0
131.08572	0.8
133.10150	1.0
135.08058	0.3
135.11694	1.3
145.05002	0.3
145.10127	1.0
147.11694	0.6
149.13239	1.4
159.11674	0.7
184.07253	1.9
185.04306	0.8
195.00359	0.7
195.13753	0.5
203.05273	0.4
229.33662	0.4
235.13039	1.8
241.06720	0.3
243.08372	1.7
283.15338	0.5
291.15817	0.5
325.27460	0.5
335.25919	0.6
453.20923	5.5
519.29254	6.1
520.29425	0.4
534.39148	0.4
585.07507	0.3
731.43286	100.0
732.43555	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	730.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57335	0.1
52.62544	0.1
55.05489	0.2
56.05027	0.6
58.06625	0.4
59.07368	0.1
59.37473	0.1
60.08153	5.9
63.40841	0.1
67.05498	0.4
69.07048	0.1
70.06564	0.1
71.07363	2.9
75.91772	0.1
79.05481	0.2
80.97412	0.1
81.03419	0.1
81.07034	0.5
86.09689	29.9
87.10019	0.3
91.05470	0.4
93.07018	0.2
95.08592	0.3
98.97897	0.1
98.98445	2.7
104.10728	2.9
105.07019	0.1
107.08575	0.1
109.10145	0.1
119.08567	0.2
121.10117	0.1
124.99980	20.2
129.06969	0.1
133.10057	0.2
135.11687	0.1
140.01056	0.1
143.01056	0.3
145.10083	0.1
147.11572	0.1
163.01662	0.1
166.02629	0.2
184.07304	100.0
185.07658	0.8
211.19171	0.1
230.07605	0.1
238.33775	0.1
273.16656	0.1
281.87668	0.1
335.25684	0.1
358.34964	0.1
382.24216	0.1
420.82382	0.1
487.40103	0.1
489.35779	0.1
520.33813	0.2
533.37793	0.1
593.27356	0.1
688.21722	0.1
712.45367	0.1
730.46368	8.5
731.47180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.1
56.05023	0.7
57.03417	0.1
58.06306	0.1
58.06618	0.6
58.52044	0.1
59.07368	0.1
60.08155	6.3
60.70642	0.0
67.05497	0.4
69.07042	0.1
70.06602	0.1
70.86297	0.1
71.07362	3.1
79.05472	0.3
80.22265	0.1
81.03398	0.1
81.07028	0.4
83.08587	0.1
86.09693	31.0
87.10022	0.2
91.05456	0.1
91.13749	0.1
93.07033	0.2
95.04970	0.1
95.08580	0.2
98.98451	2.8
104.10733	2.2
105.07018	0.2
107.08565	0.2
109.10150	0.1
116.99438	0.1
119.08559	0.1
121.10116	0.1
123.11588	0.1
124.99985	20.2
126.00336	0.1
131.08513	0.1
133.10101	0.1
135.11687	0.1
143.01039	0.4
145.10283	0.1
145.80162	0.1
147.11630	0.1
166.02594	0.2
175.62077	0.1
184.07312	100.0
185.07675	0.9
252.15384	0.1
418.27274	0.1
468.23560	0.2
489.36075	0.1
590.83685	0.1
656.72766	0.1
712.45361	0.1
730.46429	6.7
731.46777	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88117	0.2
55.05488	0.6
56.05025	0.4
57.07046	0.3
58.06598	0.4
59.04995	0.5
60.08150	6.1
67.05497	0.8
69.07055	0.5
69.42242	1.2
69.42650	0.4
71.07362	3.2
71.08608	0.4
79.05453	0.3
81.07048	1.0
83.08608	0.4
85.02888	0.2
86.09688	29.5
91.05473	0.4
93.07024	0.7
95.04965	0.3
95.08588	0.5
98.21491	0.3
98.98441	2.7
104.10735	1.8
105.06998	0.3
107.08553	0.4
109.10173	0.4
119.08566	0.2
121.10141	0.4
123.11655	0.2
124.99976	18.8
133.10049	0.2
135.11728	0.3
145.10103	0.2
184.07301	100.0
185.07616	1.1
187.82446	0.2
195.00348	0.5
232.72318	0.2
255.23224	0.4
269.48318	0.2
401.93628	0.2
414.46039	0.2
507.12854	0.2
571.69147	0.3
730.46375	7.4
731.35254	0.4
731.46448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
54.06017	0.2
55.01860	0.9
55.05499	1.4
56.03499	0.2
57.03433	1.7
59.04982	0.7
61.02915	4.2
65.03924	0.3
67.05494	3.2
69.03413	2.9
69.07060	1.1
71.01344	0.4
71.04974	1.6
73.02902	2.7
73.69566	0.3
79.05479	2.9
81.02972	0.4
83.04968	1.6
83.08602	1.9
85.02892	6.1
85.06519	0.7
86.09695	0.3
87.04468	0.5
91.03941	2.3
91.05467	4.4
91.57972	0.2
93.07027	3.1
95.04957	2.5
95.08590	2.3
96.01733	0.2
97.02878	3.7
97.06519	1.2
97.10172	0.6
99.04444	0.9
101.02357	1.5
103.03930	0.8
105.07022	3.0
107.04942	1.0
107.08582	2.0
109.02873	1.3
109.06502	1.2
109.10128	1.2
110.07162	0.3
111.04424	0.3
111.08059	1.2
113.06005	0.4
115.03925	0.4
117.03267	0.2
117.07005	0.2
119.04898	0.4
119.08563	2.5
121.02812	0.3
121.06499	0.4
121.10123	2.2
123.04411	0.8
123.08066	0.7
123.11705	0.7
125.09628	0.5
127.03882	1.5
127.07524	0.2
129.05508	0.2
129.06996	1.0
131.08549	1.9
133.06500	0.5
133.10127	2.1
135.08000	0.4
135.11694	0.5
137.05940	0.5
137.09605	0.7
139.03900	0.4
139.11154	0.3
141.06966	0.3
145.02806	0.4
145.04913	0.4
145.10106	0.6
147.04427	1.1
147.08015	0.6
147.11653	2.3
149.05989	0.4
149.09592	2.3
151.03873	0.4
151.11189	0.4
153.01788	0.3
157.10146	1.4
159.11697	0.4
161.09605	0.4
163.03923	0.4
163.07454	0.3
163.11201	0.4
165.05421	0.2
165.12740	0.7
167.07024	0.3
171.02933	0.3
171.11685	0.3
175.03859	0.3
175.11140	1.7
177.05460	1.0
177.12729	0.3
184.07355	0.6
185.04144	0.3
191.14278	0.2
193.12210	2.9
193.13797	0.3
203.05188	0.5
207.06523	0.5
211.13339	0.9
225.14856	0.6
236.03053	0.2
243.08339	2.4
245.28343	0.3
251.12544	1.4
267.15945	0.9
268.16263	0.3
273.07648	0.3
283.06384	0.3
283.15112	4.2
285.16995	0.5
287.05438	0.3
299.05762	0.3
307.15158	0.5
309.90701	0.2
339.17822	1.0
441.20624	0.3
446.15128	0.2
469.20386	11.9
470.21097	0.4
483.22025	0.4
501.22971	12.0
502.23413	0.6
539.47888	0.2
567.31335	0.9
729.36517	100.0
730.36859	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	728.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
55.05481	1.1
56.05019	0.6
57.03429	0.5
57.07043	1.0
58.06576	0.6
58.33928	0.3
60.08157	5.4
67.05495	3.8
69.07050	1.3
71.07356	2.3
71.08623	0.4
74.37015	0.3
79.05478	1.9
81.06640	0.3
81.07047	4.5
83.08574	1.2
85.10175	0.4
86.09695	30.3
91.05459	1.3
93.07022	2.6
95.04949	0.6
95.08596	2.9
97.06498	0.4
97.10131	0.7
98.21536	0.4
98.98455	2.5
104.10724	2.6
105.06995	0.7
107.08583	1.7
109.10151	1.8
111.08010	0.3
115.22691	0.2
119.08564	0.7
121.10126	0.9
124.99988	18.8
130.55577	0.3
131.08510	0.4
133.10124	0.5
135.11652	0.5
143.08574	0.4
149.13258	0.5
159.11659	0.6
179.83821	0.3
184.07317	100.0
185.07651	0.8
229.14342	0.7
269.17435	2.6
313.27325	0.5
337.27377	2.4
467.37250	0.5
468.37686	0.7
522.35742	0.3
531.40363	5.5
539.39160	0.5
728.48474	8.8
729.48712	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01711	1.0
53.03931	5.2
55.01850	2.6
55.05499	26.6
57.03425	24.7
57.07059	4.0
57.74864	1.0
60.08149	6.1
61.02908	3.1
61.80117	1.0
62.27551	1.2
65.03928	3.1
67.05490	78.4
69.03426	1.7
69.06709	1.9
69.07054	25.2
71.01333	3.6
71.04980	6.3
71.07348	2.3
71.11578	1.3
71.11919	2.5
73.02878	1.4
77.03890	1.7
79.05475	74.9
80.41847	1.1
81.03414	7.5
81.07040	60.6
83.04961	13.1
83.08604	12.7
85.02891	3.9
85.06521	5.8
86.09690	27.8
91.05461	75.0
91.17796	1.0
92.05759	1.4
93.07025	95.4
94.07350	1.8
95.04946	9.6
95.08589	37.6
97.02863	1.9
97.06509	12.5
97.10148	12.9
98.98441	2.1
99.04460	1.1
99.08073	5.6
103.05409	1.9
104.10685	2.1
105.04488	1.9
105.07010	65.5
106.07337	2.2
107.04943	3.2
107.08572	58.9
109.06495	4.0
109.10133	16.1
111.08048	5.0
113.05959	1.3
113.09553	1.6
115.05425	1.5
117.06997	21.7
119.08554	56.9
120.08917	1.4
121.06483	2.4
121.10109	30.4
123.08051	3.0
123.11684	3.4
124.99969	19.2
125.09615	4.7
128.06194	1.8
129.06963	11.4
130.07736	3.6
131.08545	24.8
133.10107	54.1
135.08118	2.8
135.11662	65.8
136.11992	1.3
137.09581	3.7
137.13200	1.2
139.10204	1.3
142.07814	1.6
143.08533	10.3
145.10097	32.0
147.07956	1.3
147.11655	44.6
148.12054	1.5
149.09598	4.5
149.13216	9.6
151.11148	4.2
153.12721	2.8
155.08554	1.3
157.10085	12.4
159.11658	19.1
161.09560	1.5
161.13225	31.3
163.11136	8.2
163.14793	4.4
165.09140	1.2
169.10097	2.8
171.11676	13.4
173.13196	11.1
175.11354	1.3
175.14784	16.1
177.12733	2.5
181.12183	12.3
183.11732	2.2
184.07303	100.0
185.07631	3.2
185.13229	9.0
187.14799	4.3
189.12685	1.8
189.16327	1.3
197.13260	2.3
199.13335	2.2
199.14807	6.5
201.16432	1.9
203.14253	1.1
205.59204	1.3
213.16396	1.8
217.15771	1.3
217.19463	1.4
225.12718	1.2
231.20992	8.1
240.27785	1.2
241.19466	34.9
253.14296	17.7
255.15858	96.2
256.16223	2.4
257.19022	2.2
259.20520	98.5
260.20929	2.5
261.22021	2.1
275.20029	2.8
277.21674	1.9
315.23254	6.1
333.24179	52.7
334.24576	1.5
403.29498	1.8
418.36026	1.3
421.30820	7.3
439.32074	6.2
457.32935	2.6
485.35721	1.0
495.34647	3.8
503.36972	4.1
513.35669	88.5
514.36084	7.6
531.36707	30.1
532.36920	2.2
543.36853	1.7
555.36780	2.0
590.49103	1.2
675.40826	2.1
728.43988	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	728.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.51559	0.5
55.01868	3.6
55.05250	0.9
55.05504	10.3
57.03184	0.8
57.03433	8.2
57.07072	2.4
58.30942	0.4
60.08150	2.0
61.02909	1.8
65.03921	1.4
67.05497	43.8
68.05827	1.5
69.03422	2.4
69.07059	14.6
69.93914	1.6
69.94331	1.1
70.06535	0.5
71.04973	3.8
71.07360	1.3
71.08622	1.3
71.34978	0.5
73.02917	0.8
79.05482	21.6
81.03412	2.6
81.07047	41.1
82.07373	0.9
83.04967	5.8
83.08610	7.9
85.02882	2.5
85.06527	3.3
85.10201	0.6
86.09698	15.5
87.10007	0.7
91.03929	0.6
91.05471	25.7
93.07032	25.8
95.04963	4.3
95.08594	17.6
96.08918	0.5
97.02888	0.5
97.06532	2.9
97.07032	0.5
97.10154	2.3
98.98456	1.5
99.04427	1.5
99.08067	0.7
101.06003	0.7
105.04524	0.5
105.07018	23.3
106.07352	0.7
107.04929	1.3
107.08582	26.4
108.08924	0.5
109.06487	4.2
109.10142	44.2
110.10476	2.6
111.04455	0.5
111.08033	1.3
113.05972	2.0
113.09611	0.6
115.05441	0.6
117.07034	3.0
119.08566	5.8
121.10143	7.9
123.04484	0.7
123.08064	1.7
123.11694	9.1
125.00001	8.6
125.09599	1.2
126.53063	0.5
127.07547	2.3
127.11165	0.6
131.08557	5.3
133.10117	47.8
134.10449	2.0
135.08037	0.6
135.11685	5.7
137.09581	0.9
143.08527	1.2
145.10110	2.9
146.98172	1.2
147.11656	2.6
149.09608	0.8
149.13239	2.7
151.11168	22.5
152.11555	0.5
159.11661	2.4
161.09639	1.9
161.13226	2.1
163.11159	0.7
163.14792	1.2
169.12236	4.3
173.11842	1.0
173.13263	1.5
175.14807	0.5
179.10762	0.7
184.07318	41.6
185.07674	0.5
187.14732	1.2
215.12790	1.4
229.14281	0.5
238.02754	0.5
243.21100	2.8
253.14323	100.0
254.14604	4.8
259.20401	0.6
261.22083	11.6
262.22406	0.5
271.15378	25.4
272.15723	1.5
279.23160	1.5
317.24686	1.8
335.25772	46.2
336.26108	3.2
349.23312	0.6
396.14658	0.5
439.32043	1.1
457.32925	1.5
465.35687	1.3
466.36072	6.7
467.36664	1.1
468.37631	0.8
513.35718	6.7
514.36139	1.0
531.36761	47.0
532.37103	4.0
538.38245	0.6
539.38623	1.4
545.37836	1.5
549.37610	1.4
556.39703	0.9
587.46454	0.8
669.37341	3.0
700.83807	0.6
728.44464	6.2
729.44543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01867	4.1
55.05262	0.7
55.05505	7.3
57.03430	5.3
57.07055	2.1
60.08152	2.2
61.02893	1.5
64.60052	0.6
65.03922	1.8
67.05495	37.7
69.03416	3.4
69.06716	0.8
69.07062	11.8
69.40018	6.1
71.04980	3.2
71.07351	0.8
71.08595	0.7
73.02915	0.7
79.05482	19.3
81.03407	3.1
81.07047	36.0
83.04963	5.3
83.08609	4.5
85.02877	2.4
85.06527	3.3
85.10175	0.7
86.09698	9.6
90.39874	0.6
91.05469	24.4
93.06461	1.2
93.07029	22.0
93.07612	1.2
95.04957	4.2
95.08593	15.2
97.02882	1.2
97.06504	3.3
97.10149	2.3
98.21500	1.3
99.04422	2.0
99.08059	1.0
104.10754	0.7
105.07014	21.0
106.07350	0.5
107.04950	1.0
107.08580	25.0
108.08919	1.0
109.06497	4.1
109.10143	40.0
110.10476	1.1
111.08044	0.9
113.05969	2.2
117.06995	1.8
119.08554	5.4
121.10139	6.6
123.08082	0.8
123.11692	8.8
124.99990	4.9
125.09642	1.3
127.07577	2.8
131.08554	4.4
133.10112	47.0
134.10449	1.5
135.11691	5.0
137.09645	0.8
137.13274	0.8
143.08510	1.3
145.10088	2.8
147.11662	1.9
149.09573	0.7
149.13213	2.6
151.11162	22.3
152.11475	1.1
157.10109	0.7
159.11655	2.5
161.09557	1.4
161.13234	1.7
163.11087	0.8
163.14833	2.2
169.12183	3.5
170.12581	0.7
171.11664	0.6
173.13234	1.4
177.16312	0.8
179.10657	1.4
179.14374	0.6
184.07315	24.3
185.07684	1.0
186.07707	1.0
187.14717	0.8
199.14749	0.7
210.15031	0.6
211.13330	1.0
215.12708	2.6
227.12584	1.1
243.21063	3.0
253.14320	100.0
254.14688	2.9
261.22147	12.3
271.15372	30.8
276.83640	0.6
279.23129	1.4
283.15482	0.7
297.16678	0.7
317.24673	1.5
323.25784	2.4
335.25742	26.5
336.26169	1.3
353.26791	1.2
421.31143	1.0
439.31940	1.1
457.32858	1.1
466.35870	1.9
513.35706	8.7
514.36084	0.6
531.36743	41.7
532.37115	2.8
539.39392	1.3
549.37732	0.8
621.31067	0.6
728.44940	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	728.449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.1
55.05497	0.7
56.05019	0.6
57.07064	0.3
58.06613	0.4
59.07379	0.2
60.08153	6.1
67.05489	1.1
68.05825	0.1
69.07050	0.6
71.07359	3.3
71.08607	0.2
71.62791	0.1
71.63173	0.1
74.88933	0.1
79.05465	0.4
81.03400	0.4
81.07056	0.9
83.04931	0.1
83.08612	0.5
86.09689	30.2
87.10019	0.2
91.05461	0.5
93.07017	0.6
95.04954	0.2
95.08590	0.7
97.06522	0.1
97.10163	0.3
98.98442	3.0
104.10731	2.2
105.07023	0.4
107.08573	0.4
109.06432	0.1
109.10152	0.7
111.04398	0.1
111.08051	0.1
111.11721	0.1
116.99469	0.1
119.08577	0.3
121.10146	0.3
124.99979	20.1
126.00299	0.1
131.08521	0.1
133.10123	0.3
135.11641	0.2
143.01079	0.3
145.10146	0.2
147.11679	0.2
151.11160	0.1
163.11147	0.1
166.02693	0.3
184.07304	100.0
185.07625	0.7
209.11629	0.1
253.14624	0.1
268.34973	0.1
271.15353	0.2
286.80408	0.1
323.50577	0.1
335.25815	0.1
448.20587	0.2
465.35904	0.2
466.36160	0.6
481.81815	0.1
503.37280	0.9
514.34692	0.1
520.34351	0.2
521.37927	0.1
539.38885	0.2
545.38367	0.1
562.59680	0.1
587.46216	0.2
727.39130	0.1
728.44775	7.0
729.44757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
54.53944	0.1
55.01863	0.1
55.05502	0.8
56.05032	0.6
57.07059	0.4
58.06615	0.4
59.07391	0.2
60.08156	6.4
65.03927	0.2
67.05499	1.3
69.03397	0.1
69.07061	0.7
69.97526	0.4
69.97942	0.3
71.07365	2.7
71.08613	0.2
79.05480	0.6
81.03399	0.7
81.07030	1.0
81.38415	0.1
83.04961	0.2
83.08617	0.6
86.09692	29.9
87.10000	0.2
91.05476	0.8
93.07037	0.8
95.04968	0.4
95.08588	0.6
97.06507	0.1
97.10169	0.5
98.21423	0.1
98.98447	2.8
104.10723	2.0
105.07024	0.8
107.04922	0.2
107.08569	0.4
109.10139	0.7
117.07005	0.1
119.08580	0.4
121.10140	0.3
123.08110	0.1
123.11755	0.1
124.99985	19.4
128.06259	0.1
129.06985	0.1
131.08548	0.2
133.10106	0.5
135.11690	0.2
138.94623	0.1
143.01053	0.4
145.10201	0.1
147.11655	0.3
149.09630	0.1
151.11198	0.2
157.10168	0.1
166.02669	0.2
173.09558	0.1
182.85530	0.1
184.07312	100.0
185.07620	0.9
232.02017	0.1
253.14455	0.4
261.22220	0.1
267.15948	0.2
271.15323	0.5
285.17130	0.2
321.24283	0.2
335.25781	0.6
466.22031	0.1
466.36096	0.4
502.33173	0.2
503.37201	1.8
504.37650	0.1
531.36572	0.8
539.39526	0.3
728.44818	5.5
729.45032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.04820	0.0
56.05026	0.6
57.03411	0.1
58.06293	0.1
58.06620	0.5
59.07133	0.0
59.07389	0.1
60.08154	6.0
67.05495	0.3
69.07053	0.1
69.55286	0.4
70.06577	0.1
71.07362	2.9
79.05475	0.2
81.03404	0.1
81.07046	0.2
82.17948	0.0
83.04968	0.1
83.08607	0.1
85.02883	0.1
86.09692	29.5
87.10040	0.2
88.31395	0.0
91.05460	0.2
93.07016	0.2
95.04973	0.1
95.08599	0.1
98.21427	0.1
98.98451	2.5
104.10023	0.1
104.10728	2.2
105.07030	0.1
107.08555	0.0
116.99400	0.1
119.08556	0.1
121.10135	0.1
124.99984	19.6
126.00338	0.1
131.08521	0.1
132.40570	0.0
135.11642	0.0
136.97462	0.1
140.01013	0.1
143.01041	0.2
163.01476	0.1
166.02606	0.1
184.07309	100.0
185.07687	0.7
257.73471	0.1
267.08963	0.1
283.06250	0.1
285.10117	0.2
324.11450	0.1
351.52249	0.1
463.22617	0.3
463.73047	0.0
468.23663	0.1
530.35852	0.1
531.35559	0.1
710.43695	0.1
728.44812	6.4
729.44983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2063
Annotation	Helieianeoside A
Peak:m/z	Relative Intensity
55.01839	0.3
55.05481	0.3
57.03424	2.2
59.04969	0.1
61.02913	0.7
64.10767	0.1
65.45866	0.1
68.99786	0.3
69.03071	0.2
69.03415	2.2
71.01346	0.3
71.04979	7.4
71.62839	0.1
71.85278	0.1
73.02559	0.1
73.02905	1.8
75.04449	0.4
81.03413	0.5
83.04975	1.2
85.02886	11.3
87.04424	0.4
91.03941	0.1
95.04943	0.1
97.02871	3.2
97.06519	0.1
99.04408	0.2
103.03948	0.2
105.03375	0.2
107.04922	0.2
109.02859	0.6
111.00781	0.4
111.04418	1.0
115.03905	1.5
121.02830	1.5
123.04392	0.1
127.03874	1.2
129.05449	3.0
133.02834	0.3
133.04922	0.2
137.02304	0.3
137.05925	0.2
139.03844	0.1
145.04936	0.8
145.05917	0.1
145.06482	0.1
147.04323	0.3
147.06496	1.5
151.03929	0.2
153.01787	1.8
153.05431	0.1
157.04935	0.2
157.06378	0.2
161.05894	0.2
163.03902	0.1
163.05986	0.2
165.01805	1.1
171.04291	0.1
171.06668	0.1
177.05423	0.1
183.02795	0.6
185.05943	0.3
189.05403	0.2
197.05930	0.2
213.05353	0.6
225.07545	0.9
231.06505	0.4
231.08569	0.1
241.04893	0.5
241.07108	0.1
243.08556	0.3
258.05215	0.6
259.08124	0.1
261.09402	0.2
269.04684	0.1
279.10629	0.2
287.05435	100.0
288.05771	3.2
299.05292	0.2
329.06488	0.5
336.02682	0.1
433.11273	0.8
449.10727	2.0
581.14551	0.1
669.25403	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	728.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.1
56.05024	0.6
58.06618	0.4
59.07396	0.2
59.08585	0.0
60.08154	6.7
67.05487	0.2
69.07053	0.1
69.48280	0.4
69.48685	0.1
70.06578	0.1
70.20265	0.1
71.07361	3.7
79.05479	0.2
80.97425	0.1
81.03365	0.1
81.07040	0.2
83.08571	0.1
85.02861	0.1
86.09692	31.8
87.09502	0.0
87.10017	0.2
91.05447	0.2
93.07021	0.2
95.08592	0.2
98.98450	3.2
104.10027	0.1
104.10724	2.4
105.06988	0.1
107.08553	0.1
109.10143	0.1
112.38200	0.1
116.99446	0.1
119.08559	0.1
121.10167	0.1
124.99983	21.5
126.00329	0.1
131.08496	0.1
140.01044	0.1
142.99989	0.1
143.01044	0.3
166.02635	0.1
184.07309	100.0
185.07671	0.9
186.07774	0.1
379.15491	0.1
450.22519	0.1
494.87314	0.1
505.83640	0.1
518.32410	0.2
522.01672	0.1
523.89337	0.1
710.43341	0.1
728.44830	7.1
729.45154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01865	1.7
55.05507	13.9
57.03432	13.1
57.07076	3.3
61.02917	2.8
65.03932	1.7
67.05499	59.5
68.05824	0.6
69.03426	1.6
69.07059	21.5
71.04636	0.7
71.04979	3.6
71.07375	0.6
71.08624	0.9
73.02902	1.2
77.03875	0.7
79.05484	36.0
81.03421	2.2
81.07049	72.1
82.07395	1.2
83.04971	5.3
83.08612	11.0
85.02888	2.7
85.06547	3.2
86.09726	2.6
91.03947	1.7
91.05472	18.8
93.03441	0.5
93.07037	57.0
94.07359	1.0
95.04961	5.2
95.08599	34.5
97.02869	1.4
97.06520	8.5
97.10163	2.6
99.08092	2.5
105.07024	10.4
107.04983	0.6
107.08583	30.3
109.06522	1.9
109.10152	12.4
109.10904	0.6
111.08070	6.0
111.11733	1.0
113.09650	1.1
117.06998	7.3
119.08574	8.0
121.06469	0.7
121.10130	22.4
123.08080	1.3
123.11701	4.9
124.99993	1.8
125.09624	0.8
127.07639	0.6
129.07051	0.8
131.08560	9.6
133.10121	7.4
135.08099	1.4
135.11685	11.6
137.09550	0.6
137.13194	0.8
139.11131	1.2
145.04997	0.6
145.10103	3.6
147.11670	3.9
149.13243	24.5
150.00034	0.5
156.06688	0.5
159.11673	10.8
161.13228	3.4
163.14830	2.0
165.12686	0.8
173.13287	1.8
175.14761	1.3
177.12761	3.2
184.07336	8.4
187.14806	1.6
195.13780	6.7
213.14816	0.8
243.21094	2.7
261.22116	10.0
267.15958	1.8
269.17450	88.4
270.17813	2.9
271.18985	0.5
310.75308	0.6
317.24725	2.7
335.25769	53.7
336.26071	2.0
437.34238	2.0
455.35071	1.4
480.01706	0.5
529.38849	100.0
530.39288	8.3
537.37708	4.4
547.39502	3.0
617.14612	0.6
726.47009	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76474	0.1
55.05509	0.4
55.45175	0.1
56.05027	0.7
57.03409	0.2
57.07051	0.2
58.06611	0.4
59.07365	0.2
60.08152	6.4
67.05492	1.5
69.03423	0.1
69.07059	0.7
69.41394	0.9
70.06578	0.1
71.04971	0.1
71.07360	3.2
71.08622	0.2
79.05479	0.8
80.97436	0.1
81.03397	0.3
81.07033	1.3
83.04971	0.2
83.08593	0.4
85.07964	0.1
86.09690	30.9
87.10016	0.3
91.05473	0.6
93.07029	0.8
95.04929	0.2
95.08588	0.8
97.06535	0.1
97.10166	0.2
98.98446	3.1
103.74430	0.1
104.10725	2.7
105.06970	0.4
107.04951	0.1
107.08576	0.5
109.06419	0.1
109.10153	0.4
116.99472	0.1
117.07002	0.1
119.08545	0.3
121.10123	0.3
123.08008	0.1
123.11743	0.1
124.99983	20.7
131.08504	0.2
133.10094	0.3
135.11670	0.2
143.01025	0.4
145.10101	0.2
147.11694	0.3
149.09538	0.1
149.13193	0.2
159.11707	0.1
163.11150	0.1
166.02663	0.2
173.13275	0.1
184.07307	100.0
185.07663	1.2
227.12794	0.1
247.35681	0.1
255.23100	0.1
262.72110	0.1
269.17465	0.6
297.79095	0.1
311.25714	0.1
335.25684	0.7
446.23254	0.1
447.66855	0.1
467.37375	0.2
519.36676	0.5
520.33789	0.1
529.38837	0.7
537.38092	0.6
538.38196	0.2
726.46893	8.7
727.47076	0.6
747.38977	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.1
55.05485	0.2
56.05021	0.6
57.23064	0.1
58.06616	0.5
58.65301	0.1
59.07368	0.1
60.08154	6.0
61.07872	0.1
67.05478	0.4
69.07045	0.1
70.06564	0.1
71.06963	0.2
71.07360	3.3
79.05476	0.4
80.97445	0.1
81.03428	0.1
81.07054	0.5
83.08593	0.1
86.09691	31.4
87.09532	0.1
87.10017	0.6
91.05466	0.3
93.07005	0.4
95.04932	0.1
95.08599	0.2
97.10136	0.1
98.98446	3.2
104.10724	2.3
105.07006	0.2
107.08577	0.2
109.06512	0.1
109.10123	0.1
114.22000	0.1
116.99413	0.1
119.08543	0.2
121.10139	0.2
124.99982	20.1
126.00321	0.2
127.00448	0.2
131.08623	0.1
133.10031	0.1
135.11613	0.1
143.01045	0.3
159.11769	0.1
166.02652	0.2
184.07309	100.0
185.07649	2.4
186.07753	0.8
229.90442	0.1
267.16025	0.1
518.32324	0.2
537.38074	0.3
543.36505	0.1
560.41138	0.1
572.08502	0.1
663.21002	0.1
690.45770	0.7
726.43225	5.8
727.43237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.2
55.01863	0.3
55.05501	0.7
56.05009	0.6
57.03415	0.3
57.07056	0.2
58.06351	0.1
58.06617	0.4
59.07370	0.2
60.08153	6.5
61.02893	0.2
62.30278	0.1
67.05498	2.1
68.87598	0.1
69.03417	0.3
69.07056	1.2
69.44229	1.0
69.44635	0.2
71.04976	0.3
71.06961	0.3
71.07359	3.4
79.05478	1.8
79.90418	0.1
81.03387	0.4
81.06631	0.2
81.07051	2.0
83.04967	0.4
83.08596	0.5
84.30090	0.1
85.02888	0.3
85.06485	0.2
86.09692	28.1
87.10007	0.4
91.05473	1.6
93.07031	1.9
94.69615	0.1
95.04959	0.6
95.08605	1.2
96.08952	0.1
97.02879	0.2
97.06512	0.7
97.10145	0.2
98.21564	0.2
98.98448	2.7
100.59929	0.1
104.10731	2.4
105.07014	1.4
107.04927	0.3
107.08578	1.3
109.06499	0.3
109.10143	0.8
111.08057	0.2
111.79646	0.1
117.07037	0.3
119.08557	0.9
121.06470	0.3
121.10114	0.7
123.08090	0.2
123.11689	0.2
124.99982	19.7
125.09597	0.3
129.07002	0.4
131.08549	0.6
133.06473	0.1
133.10132	1.1
135.08075	0.2
135.11662	0.6
137.09602	0.2
139.44675	0.1
143.00989	0.4
143.08548	0.3
145.10104	0.7
147.08011	0.2
147.11685	0.3
149.09615	0.2
151.11116	0.2
157.10008	0.3
159.11736	0.3
161.09601	0.2
163.11166	0.4
166.02583	0.2
169.10042	0.2
171.11658	0.2
173.13240	0.1
176.92520	0.2
184.07310	100.0
185.07698	0.7
185.13124	0.2
227.12723	0.3
253.14429	0.2
259.16736	0.1
275.20111	0.4
335.25473	0.1
399.72562	0.1
419.28369	0.2
466.22052	0.2
487.19461	0.2
498.33014	0.1
511.33942	0.3
511.80081	0.1
529.35199	4.5
530.35345	0.2
543.36768	0.2
547.35876	0.2
726.43286	7.9
727.43304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99686	0.1
52.39746	0.1
53.23189	0.1
55.05493	0.3
56.05020	0.7
58.06611	0.5
59.07103	0.1
59.07385	0.1
60.08153	5.7
62.86231	0.1
67.05492	0.5
69.07040	0.2
69.84631	0.5
70.06542	0.1
71.07361	2.8
79.05484	0.4
81.03399	0.1
81.07049	0.4
83.04966	0.2
83.08628	0.1
85.02876	0.1
86.09689	28.6
87.10023	0.4
91.05490	0.4
93.07029	0.5
95.04941	0.2
95.08592	0.3
97.06512	0.1
97.10126	0.1
98.20822	0.2
98.98447	3.0
104.10720	2.0
105.07024	0.2
107.08572	0.3
109.10134	0.3
111.51532	0.1
116.99493	0.1
117.06998	0.2
119.08533	0.2
121.10116	0.2
124.99979	20.3
133.10098	0.2
135.11707	0.1
143.01013	0.4
145.10127	0.1
163.01593	0.1
166.02629	0.2
184.07306	100.0
185.07719	1.0
186.07784	0.2
227.12610	0.1
238.09306	0.1
328.46146	0.1
423.27179	0.1
466.21921	0.2
660.16675	0.1
690.45032	0.1
726.43286	5.4
727.42572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.2
53.03944	6.0
55.01864	13.8
55.05505	45.4
55.21171	0.9
55.85899	1.1
57.03429	31.0
57.07071	1.9
59.04994	5.1
60.95791	0.9
61.02922	6.3
64.28696	0.9
65.03925	4.1
67.05497	87.4
69.03421	11.2
69.07060	18.2
69.75233	6.9
71.01337	2.6
71.04984	9.7
73.02901	5.1
77.03873	1.0
79.05484	54.9
81.03410	100.0
81.07047	54.2
82.03744	1.2
82.04195	1.3
83.04972	28.9
83.08611	41.3
83.09104	2.3
85.02897	35.0
85.06528	4.4
86.09699	5.6
87.04451	5.1
91.03951	2.8
91.05472	58.0
93.07037	37.6
95.04961	45.0
95.08598	24.7
95.09154	1.0
97.02881	14.1
97.06511	10.9
97.10162	20.0
97.10757	1.4
98.07290	1.9
98.21436	2.1
99.04444	2.1
99.08073	3.4
103.03933	1.7
103.05456	1.8
105.03389	1.8
105.07022	33.1
106.90496	1.1
107.04946	18.9
107.08578	25.0
109.02879	2.7
109.06515	9.7
109.10144	51.9
111.04435	10.5
111.08081	16.4
113.06019	2.4
115.03973	1.3
115.05440	2.6
116.04701	5.8
117.06993	6.9
119.04929	3.6
119.08578	31.9
121.02847	4.2
121.06489	7.3
121.10127	17.7
123.04396	3.3
123.08070	6.0
123.11697	2.9
124.99996	3.3
125.05988	2.2
125.09628	18.4
127.03889	2.1
127.07561	2.0
128.06175	1.2
129.05492	13.4
129.06975	17.0
130.07782	1.3
131.04906	1.3
131.08559	20.8
133.06496	5.4
133.10117	16.7
135.04398	2.3
135.08032	4.3
135.11676	11.3
137.09624	6.9
139.07497	1.3
139.11176	1.2
142.07732	5.1
143.07034	2.6
143.10674	3.3
145.06442	1.2
145.10109	9.2
147.04395	7.8
147.08069	7.7
147.11674	19.4
148.04726	1.2
149.09595	11.1
151.07443	1.3
151.11168	1.4
153.09047	1.3
153.12732	10.1
155.08537	2.7
155.10663	3.0
157.08618	6.1
157.10127	19.9
159.08023	1.9
159.11703	1.4
161.09595	1.7
163.11162	14.7
165.09100	1.2
165.12769	3.8
167.10649	1.0
171.10165	2.5
173.09598	3.7
173.11729	16.8
173.13148	1.3
175.11176	21.1
177.05479	3.0
181.12184	10.1
184.07333	19.1
187.11137	1.9
189.11266	8.4
191.10689	8.3
193.12222	64.2
194.12543	1.1
199.13277	8.6
200.13821	1.7
201.12810	1.4
201.14716	1.2
203.14209	1.2
205.12329	1.6
209.11726	11.7
211.13271	78.5
212.13634	1.5
217.14384	3.1
219.13797	2.4
227.12761	26.7
229.14334	64.2
245.13721	2.1
247.13268	15.2
247.92256	1.0
249.07462	1.3
249.14854	2.7
255.15901	5.3
257.13712	1.3
259.13406	1.2
265.14261	3.3
267.15897	56.5
275.77402	1.0
277.14420	1.4
283.15347	18.3
285.16937	55.9
287.05487	12.5
301.16440	30.9
321.16940	4.1
339.18237	1.8
349.23773	3.0
351.42899	1.0
365.21057	1.5
383.22226	2.9
391.25116	1.3
401.23273	1.4
409.25922	2.9
421.25824	11.0
427.27151	4.9
439.26865	53.1
440.27280	2.0
447.27466	1.3
457.25458	2.2
459.27548	1.5
461.27902	1.1
465.28268	1.5
475.26886	11.3
476.27667	2.2
477.28290	1.4
493.27966	22.0
511.28879	18.4
529.29913	5.1
611.16571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.3
55.01867	8.3
55.05503	24.7
57.03431	23.8
57.07055	4.0
59.04966	1.9
59.69958	2.0
61.02629	2.9
61.02916	31.0
65.03921	3.8
67.05495	81.5
69.03419	15.5
69.07059	30.8
71.01347	2.3
71.04977	15.1
73.02903	13.3
79.05481	77.2
81.03408	27.9
81.07043	100.0
83.04967	17.9
83.08601	17.5
85.02892	48.4
85.06527	6.5
86.09692	3.9
91.03942	25.3
91.04883	2.4
91.05466	59.6
93.07028	86.4
94.07333	2.4
95.04946	19.7
95.08594	46.7
97.02879	24.3
97.06522	17.1
97.10138	6.8
98.20699	4.5
99.04438	6.1
99.08092	7.7
101.02351	1.8
101.06045	1.9
103.03954	2.2
105.04488	1.8
105.07012	57.7
107.04962	9.3
107.08576	56.8
108.63110	1.9
109.02857	7.3
109.06484	9.7
109.10125	21.8
110.10507	2.6
111.04451	2.8
111.08077	7.2
113.09642	2.3
115.03946	3.0
117.06998	19.4
119.04914	2.6
119.08566	50.7
121.06514	6.6
121.10120	35.8
123.04443	2.1
123.08013	11.2
123.11694	7.2
125.00021	2.2
125.09612	5.2
127.03893	18.1
129.05452	2.7
129.06975	9.8
131.08546	28.4
132.86708	1.8
133.06479	2.3
133.10110	40.3
134.45207	1.7
135.04378	2.3
135.08064	6.2
135.11664	26.3
137.09605	4.8
139.03905	3.9
143.08546	8.8
145.04956	11.0
145.06374	2.0
145.10101	19.8
146.72784	1.9
147.04378	9.4
147.08031	3.8
147.11673	28.5
149.05969	2.4
149.09569	13.5
149.13237	30.1
151.11201	5.1
153.09143	2.8
157.10124	13.0
159.11668	26.8
161.09656	3.7
161.13232	18.8
163.06015	12.2
163.11134	10.3
163.14832	3.5
165.09097	3.0
171.10304	3.5
171.11687	12.3
173.04495	2.5
173.11961	2.2
173.13187	11.0
175.11122	4.8
175.14807	9.1
177.12787	10.2
179.14246	3.5
183.11655	2.5
184.07352	9.0
184.12067	1.9
185.13213	6.7
187.14876	3.7
193.12198	5.7
195.13821	11.8
197.13243	3.6
199.13046	2.2
199.14798	4.8
207.13972	2.1
209.11726	2.2
211.13246	2.9
219.13849	2.4
227.12637	2.8
229.14304	8.2
229.92490	2.2
231.20941	3.1
239.17752	2.3
241.19489	13.3
247.20503	2.2
253.17831	2.5
254.14485	2.1
257.18958	6.7
259.20532	38.4
267.15948	10.2
269.17432	95.9
270.17700	2.6
275.16995	3.3
275.19977	19.3
277.21701	4.4
281.17502	4.4
333.24237	4.7
334.34702	2.0
349.23752	36.2
351.25247	91.4
352.25549	2.3
367.24142	2.5
373.48984	2.4
387.25024	2.8
435.27505	4.1
441.26089	2.8
459.26938	3.8
461.28793	23.0
477.28360	3.8
479.29828	6.0
495.29712	9.2
726.33282	5.3
727.32806	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	726.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01860	0.6
55.05249	0.2
55.05500	3.1
56.05020	0.6
57.03432	1.5
57.07074	0.2
58.06569	1.1
59.04995	0.4
59.07383	0.5
60.08157	4.9
61.02916	0.4
65.03931	0.2
67.05497	6.2
68.05827	0.2
69.03437	0.7
69.07059	1.2
71.04980	0.7
71.07361	2.0
73.02910	0.3
77.30602	0.1
79.05045	0.2
79.05482	3.2
80.05842	0.1
81.03408	5.3
81.07048	3.9
83.04973	1.6
83.08609	2.3
84.08119	0.1
85.02895	2.9
85.06528	0.5
86.09695	25.3
87.04453	0.5
87.10069	0.2
91.03925	0.2
91.05472	3.7
93.07041	2.4
95.04957	2.5
95.08590	1.9
97.02901	0.7
97.06501	0.7
97.10158	1.7
98.20686	0.3
98.98455	2.0
99.04457	0.2
99.08054	0.2
103.05454	0.2
104.10734	2.0
105.07021	2.2
107.04944	1.0
107.08572	1.6
109.02827	0.2
109.06497	0.6
109.10141	3.9
110.10513	0.1
111.04432	0.5
111.08049	1.0
113.05996	0.3
115.05367	0.2
117.06997	0.4
119.04928	0.3
119.08564	2.5
121.02870	0.2
121.06509	0.4
121.10155	1.2
122.51621	0.2
123.04456	0.2
123.08071	0.3
123.11711	0.2
124.99990	15.4
125.09614	1.4
127.03801	0.2
129.06978	1.2
131.07686	0.1
131.08571	1.3
133.06473	0.3
133.10100	1.5
135.04364	0.1
135.08080	0.2
135.11661	0.6
137.09592	0.5
142.07791	0.2
143.01019	0.3
143.10637	0.3
145.10098	0.6
147.04384	0.6
147.08017	0.2
147.11682	1.5
149.09637	0.7
151.07558	0.2
151.11139	0.2
153.12749	0.2
157.10077	1.2
159.08093	0.1
163.03888	0.2
163.11183	0.8
165.12723	0.3
167.10670	0.2
171.10237	0.1
173.09570	0.1
173.11691	1.2
175.11145	1.1
177.05388	0.2
181.12181	0.3
184.07317	100.0
185.07651	0.6
189.11096	0.2
191.10626	0.4
193.12216	4.2
199.13234	0.7
209.11700	0.6
211.13266	6.2
217.14288	0.2
222.08952	0.8
224.10417	0.3
227.12639	0.8
228.12920	0.2
229.12042	0.2
229.14317	4.4
229.16516	0.2
249.14885	0.2
267.15875	2.8
268.16306	0.2
283.15350	0.6
285.16940	5.0
287.05322	0.2
287.14853	0.4
301.16379	1.5
321.16537	0.2
349.23505	0.2
354.12924	0.2
409.25647	0.4
421.25690	1.0
427.26886	0.6
439.26883	3.7
440.27347	0.2
459.27295	0.2
461.28101	0.2
475.26590	0.4
479.27658	0.2
491.22540	0.5
493.27948	0.7
511.29065	2.3
529.29858	0.9
575.32385	0.2
622.33417	0.8
632.77777	0.1
674.93597	0.2
676.34479	13.7
677.34082	0.5
726.37463	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01852	0.9
55.05288	0.3
55.05507	3.5
56.05827	0.4
57.03434	3.3
58.80030	0.3
59.04987	2.6
61.02918	4.3
61.72293	0.3
64.49043	0.3
65.03938	0.3
67.05498	10.3
68.05827	0.7
69.03418	2.9
69.07059	2.4
69.97579	1.3
71.01360	0.4
71.04995	2.9
73.02908	2.7
79.05481	6.7
80.05819	0.7
81.03405	4.4
81.07047	8.0
82.03717	0.3
82.07372	1.2
83.04980	1.6
83.08606	2.2
85.02891	4.4
85.03355	0.4
85.06553	0.7
86.09705	0.6
87.04462	2.6
91.03944	2.7
91.04955	0.5
91.05474	5.4
92.05805	0.5
93.07033	6.9
94.07349	0.8
95.04959	2.8
95.08591	3.6
97.02888	4.2
97.06512	1.6
97.10155	1.1
98.10536	0.3
99.04462	1.4
101.02358	1.2
105.07024	3.3
107.04958	1.0
107.08570	3.9
108.08929	0.6
109.02835	0.9
109.06528	1.2
109.10130	3.3
110.10483	1.0
111.04430	0.4
111.08062	1.0
115.05474	0.5
117.06999	0.6
119.08560	3.2
121.06492	0.5
121.10136	2.1
123.08086	0.7
123.11726	0.5
124.99996	0.4
125.09631	1.2
127.03912	1.4
128.06198	0.4
129.05510	0.5
129.06967	1.5
131.08557	2.0
133.06503	0.4
133.10121	2.0
135.11685	1.2
136.12035	0.3
137.09631	0.7
143.08546	0.5
145.04947	0.4
145.10170	0.8
145.73167	0.3
147.04381	0.3
147.08101	0.4
147.11671	3.0
149.09599	1.8
149.13231	0.8
151.11156	0.5
157.10147	1.1
159.11696	0.9
160.11975	0.4
161.13245	0.8
163.11188	0.6
164.11671	0.3
171.11667	1.5
173.11797	0.5
173.13342	0.3
174.12033	0.4
175.11220	1.3
177.12761	0.5
184.07384	1.3
185.04257	0.5
185.13350	0.4
189.12712	0.7
193.12141	1.5
195.13826	0.9
196.14186	0.7
197.15421	0.4
199.13393	0.5
203.05402	0.3
207.13760	0.8
211.13280	0.3
211.61311	0.3
223.13217	0.3
225.14888	0.8
229.14299	3.2
230.14690	1.5
243.08383	2.5
247.13034	1.0
253.14351	0.6
255.15891	0.3
267.15945	1.2
269.17465	4.0
270.17819	2.2
273.05917	0.3
281.17395	0.6
283.15140	4.4
284.15732	0.4
301.38483	0.3
315.86783	0.3
339.17892	1.3
412.27908	0.9
423.27319	3.2
424.27695	6.6
431.61157	0.4
441.57434	0.3
452.27341	0.3
461.28888	0.3
465.20966	11.9
469.20526	0.5
501.23013	10.2
502.23151	0.5
725.37085	100.0
726.37585	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	725.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.1
53.03925	0.1
55.05505	0.3
56.67237	0.1
57.03415	0.1
63.02370	0.1
65.03920	0.7
67.05481	0.2
69.03409	0.1
69.07061	0.1
71.04987	0.2
79.05467	0.1
81.03389	0.3
81.07042	0.3
83.04964	1.4
85.02874	0.2
91.05461	7.4
92.05794	0.1
93.07040	0.2
95.04940	0.2
95.08575	0.1
98.21497	0.1
105.07000	0.2
107.04972	0.1
107.08548	0.1
109.02843	0.1
109.06519	0.1
109.10120	0.1
111.04422	0.6
119.04916	20.7
120.05230	0.2
121.02868	0.2
121.10124	0.1
123.04429	0.2
127.03885	0.1
129.05476	0.1
131.04865	0.1
133.10167	0.1
137.02419	0.1
137.09569	0.1
139.03867	0.1
145.02882	0.1
145.10114	0.1
147.04376	100.0
148.04721	1.2
153.01794	0.3
153.19650	0.1
157.35922	0.1
165.01799	0.2
165.05460	0.3
165.09004	0.1
167.07091	0.1
177.05440	0.3
181.04890	0.1
183.02863	0.1
184.07281	0.2
201.05307	0.1
209.53490	0.1
213.05432	0.1
231.06477	0.1
242.70457	0.1
258.04971	0.1
267.15790	0.1
275.09113	0.2
287.05441	11.3
288.05820	0.5
289.06061	0.2
293.10141	3.8
395.59219	0.1
433.11249	1.0
460.27145	0.1
573.12933	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	724.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43142	1.3
53.03931	4.1
55.01860	2.9
55.05499	17.7
57.03420	7.3
57.07050	4.3
65.03914	1.9
67.05490	43.2
68.05820	1.8
69.03406	2.1
69.07053	13.6
71.04984	2.4
71.08607	2.2
71.32645	2.6
76.30110	1.1
77.02425	1.4
79.05475	42.2
81.03403	7.2
81.07037	42.4
83.04971	8.6
83.08597	9.5
83.80495	1.3
85.06547	1.6
86.09689	4.5
91.05460	41.9
93.07021	43.3
93.55325	1.1
94.07333	1.8
95.04940	11.0
95.08584	26.4
97.02861	1.3
97.06495	3.8
97.10139	4.3
98.98414	1.6
99.08066	1.6
105.07005	28.0
107.04918	5.3
107.08553	19.5
109.06490	5.4
109.10154	10.9
109.76085	1.3
115.05437	1.4
117.06985	6.0
119.08546	18.1
121.06442	1.8
121.10120	12.2
123.08025	3.1
123.11687	2.4
124.99971	2.5
129.06972	8.1
131.08548	8.3
133.10098	15.8
134.10419	1.3
135.08043	1.9
135.11642	6.4
143.08531	3.7
145.10095	7.4
147.07979	1.8
147.11650	17.7
149.09541	1.9
149.13219	3.5
157.10089	4.6
159.11690	2.5
161.09589	2.1
161.13208	5.2
163.14684	1.5
163.32182	1.2
171.11621	6.7
173.13214	2.2
175.11133	4.1
184.07323	14.3
185.07635	2.0
189.12733	3.1
193.12177	5.3
207.13722	8.7
247.20584	1.3
261.22183	3.2
267.15854	20.8
269.17456	1.4
281.17401	26.8
306.84161	1.3
321.24106	24.3
335.25690	9.5
399.23608	1.3
438.28568	1.4
466.36038	3.5
503.37137	3.0
509.37183	1.6
521.38263	5.6
527.37225	100.0
528.37366	5.0
535.36176	15.2
536.36487	2.3
545.38202	3.2
574.43304	1.3
583.41766	2.3
583.63275	1.5
595.46259	3.2
724.33502	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
56.05016	0.4
56.06826	0.1
57.03431	0.1
57.07063	0.1
58.06327	0.2
58.06633	0.4
59.07380	0.1
60.08154	5.1
64.45184	0.1
67.05495	0.6
69.07050	0.2
70.06599	0.1
71.04983	0.1
71.07362	2.5
71.07743	0.2
71.08628	0.1
73.02824	0.1
79.05474	0.3
81.03401	0.3
81.07040	0.6
83.04980	0.2
83.08603	0.2
86.09692	26.5
86.77486	0.1
87.10026	0.4
91.05457	0.4
93.07041	0.5
95.04980	0.1
95.08594	0.3
97.02856	0.1
97.10175	0.1
98.20723	0.3
98.98443	2.6
104.10729	2.3
105.07008	0.5
107.08570	0.3
109.06464	0.1
109.10151	0.2
111.04429	0.1
117.06946	0.1
119.08575	0.2
119.21956	0.1
121.10122	0.2
124.99984	17.7
131.08543	0.2
133.10136	0.1
140.48453	0.1
143.01025	0.3
147.11668	0.2
157.10040	0.1
166.02650	0.2
175.11154	0.1
184.07310	100.0
185.07671	1.2
186.07701	0.3
201.72824	0.1
239.41594	0.1
285.17145	0.1
496.33588	0.2
562.21600	0.1
595.46881	0.1
600.98425	0.1
688.45349	10.5
689.44751	0.3
706.45752	0.2
724.45557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2064
Annotation	Kaempferol 3-(3''-p-coumaroylrhamnoside)-7-rhamnoside
Peak:m/z	Relative Intensity
53.03944	0.1
55.05497	0.4
56.71482	0.1
57.03417	0.1
58.86592	0.1
61.35858	0.1
65.03922	0.6
65.21175	0.1
67.05486	0.2
69.03417	0.2
69.07047	0.2
69.39565	0.4
69.39995	0.3
71.04980	0.2
75.18161	0.1
79.05498	0.2
81.03411	0.4
81.07033	0.2
83.04472	0.1
83.04969	1.6
83.08595	0.1
85.02892	0.4
86.09680	0.2
91.05466	5.5
93.07047	0.2
95.04971	0.2
95.08581	0.2
97.10155	0.1
105.07008	0.2
107.04938	0.3
107.08585	0.2
109.02872	0.1
109.06489	0.1
109.10177	0.1
111.04418	1.0
117.07043	0.1
119.04922	17.8
120.05265	0.2
121.02856	0.3
121.10137	0.2
123.04447	0.1
129.05440	0.2
131.04874	0.3
131.08507	0.1
133.10092	0.1
137.02287	0.1
137.05920	0.1
137.09555	0.1
145.06430	0.1
147.04384	100.0
147.30061	0.1
148.04710	1.2
149.09529	0.1
153.01794	0.2
161.09616	0.1
163.11194	0.1
165.01837	0.1
165.05495	0.4
165.09068	0.1
177.05463	0.2
182.15341	0.1
184.07292	0.4
189.05547	0.1
193.12241	0.1
201.05293	0.1
212.08308	0.3
241.05093	0.1
258.05453	0.1
267.15936	0.2
275.09137	0.5
287.05457	7.9
288.05844	0.3
293.10141	7.5
294.10504	0.1
433.11099	0.6
443.05698	0.1
459.26971	0.1
477.28317	0.1
491.26169	0.1
492.26709	0.1
579.14484	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	724.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.2
55.01876	2.9
55.05502	20.3
57.03430	18.7
57.07063	3.2
60.54301	1.9
61.02910	4.8
65.03920	3.8
67.05497	64.8
69.03413	3.2
69.07056	17.7
71.04971	2.8
71.08646	1.8
79.05485	41.4
81.03409	76.6
81.07046	58.8
83.04961	8.5
83.08607	21.0
85.02905	2.6
85.06537	3.1
86.09697	4.9
86.44952	1.6
87.32166	1.5
91.03980	2.8
91.05467	35.0
93.07034	52.0
95.04967	29.9
95.08594	47.2
97.02858	5.2
97.06522	5.9
97.10162	7.2
99.04424	1.9
105.07022	25.0
107.04951	8.5
107.08582	25.7
109.06509	6.0
109.10141	18.1
111.04469	1.7
111.08072	6.5
115.05432	2.1
117.07027	7.6
119.08575	24.1
121.06496	4.2
121.10114	24.0
123.04416	2.5
123.08020	3.1
123.11692	5.3
125.09624	4.6
129.06982	12.3
131.08560	15.5
133.06465	3.1
133.10104	16.3
135.08028	2.4
135.11702	13.8
145.10092	9.9
147.08040	3.1
147.11703	11.1
149.09596	7.8
149.13261	6.5
149.65097	1.8
157.10132	9.4
159.11681	6.7
160.11203	4.0
161.09653	2.8
161.13255	4.8
163.11206	2.6
163.14856	3.5
165.12773	2.4
171.11595	2.6
173.13272	4.8
175.11191	9.4
184.07329	10.5
187.14896	2.3
189.11211	2.1
191.14287	2.2
193.12219	21.9
201.62683	1.7
211.13229	2.8
227.12794	4.6
243.21059	5.2
249.14832	3.1
258.08905	6.1
261.22107	20.7
267.15894	100.0
268.16159	2.0
280.00864	1.7
281.17319	3.5
282.17847	2.2
301.25235	4.3
309.16977	2.9
317.24698	5.6
335.25757	90.9
336.26318	2.0
347.93607	2.0
435.32639	3.1
453.33643	6.3
471.34641	3.5
527.29968	3.1
527.37354	58.0
528.37683	1.9
544.40961	8.7
545.38428	27.6
554.47375	1.8
569.38556	3.9
595.46674	8.2
626.44037	2.9
653.40015	1.9
709.32452	2.2
724.45447	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	724.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.05024	0.6
58.06610	0.5
58.72249	0.1
59.07098	0.1
59.07368	0.2
60.08152	5.9
65.03975	0.1
67.05494	0.4
69.07057	0.1
70.06570	0.1
71.04962	0.1
71.07356	3.2
79.05472	0.5
80.97374	0.1
81.07030	0.3
83.04934	0.1
83.08605	0.1
86.09689	29.7
87.10027	0.2
91.05463	0.2
93.07025	0.3
95.04935	0.1
95.08585	0.3
97.10174	0.1
98.20695	0.2
98.98444	2.9
104.10722	2.3
104.11275	0.1
105.07005	0.3
107.08619	0.1
109.10124	0.1
116.99496	0.1
119.08551	0.2
121.10129	0.2
121.73629	0.1
124.99979	20.4
126.00346	0.1
133.10121	0.1
136.66084	0.1
140.01004	0.1
143.01031	0.3
143.08458	0.1
166.02673	0.2
184.07306	100.0
185.07668	1.0
254.28122	0.1
464.24036	0.1
493.38593	0.1
535.36426	0.1
545.37537	0.1
724.45355	5.9
725.46204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05021	0.6
58.06606	0.4
59.07338	0.3
60.08150	6.2
61.08475	0.2
67.05481	0.3
69.07047	0.1
70.06563	0.1
71.07361	3.1
71.08560	0.1
72.07685	0.1
79.05473	0.3
81.07026	0.4
83.08618	0.1
83.38602	0.1
86.09687	31.6
87.10017	1.1
91.05468	0.3
93.07043	0.4
95.04955	0.1
95.08585	0.2
98.20679	0.1
98.98441	3.1
104.10719	2.7
105.06983	0.2
105.11058	0.1
107.08568	0.2
109.10107	0.1
118.07304	0.1
119.08539	0.2
121.10101	0.1
121.91502	0.1
124.99976	21.1
126.00332	0.4
127.00391	0.2
131.08536	0.1
133.10086	0.1
143.01031	0.4
147.11697	0.1
166.02661	0.2
184.07300	100.0
184.79332	0.1
185.07661	3.9
186.07758	1.4
222.08893	0.2
223.09221	0.1
229.80203	0.1
236.33719	0.1
287.19589	0.1
446.22891	0.1
449.39429	0.1
518.32501	0.1
535.36169	0.1
596.43317	0.1
647.45728	0.1
716.46533	0.1
724.45490	8.0
725.45587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.9
55.05501	9.6
57.03429	10.6
57.07058	0.7
58.75080	0.6
59.04990	0.6
61.02913	1.1
63.23185	0.5
65.03934	0.9
67.05495	14.9
69.03413	3.1
69.07048	4.0
71.04974	2.8
73.02873	0.5
73.85314	0.4
77.03931	0.5
79.05480	15.1
80.90533	0.6
81.03404	71.0
81.07046	16.8
82.03771	0.6
83.04972	8.0
83.08604	19.6
85.02895	9.6
85.06505	1.0
87.03510	0.4
89.26992	0.4
91.05469	20.6
93.07027	10.6
95.04955	23.4
95.08589	6.0
97.02854	2.7
97.06485	2.3
97.10142	4.8
102.10687	0.5
105.07014	13.8
105.87883	0.6
107.04936	7.0
107.08578	6.3
109.06502	3.7
109.10144	4.2
111.04414	2.6
111.08071	8.5
113.05975	0.9
115.05459	1.8
117.06964	2.2
119.04961	1.3
119.08562	14.2
121.06513	3.9
121.10109	6.9
121.10892	0.6
123.04424	0.8
123.08044	2.8
123.11688	1.2
125.09610	3.2
128.06183	0.7
129.06990	10.7
131.04887	1.0
131.08545	8.9
133.06453	3.4
133.10107	7.3
135.07970	1.2
135.11661	0.7
137.09589	1.8
141.07004	0.5
142.07774	2.0
143.08540	2.0
145.06445	3.6
145.10085	2.8
147.04408	0.9
147.08032	3.3
147.11664	11.4
149.09575	4.8
153.09081	1.1
155.08566	1.1
157.06427	0.7
157.10106	14.2
159.08072	0.5
159.11633	1.0
161.06023	0.6
163.11153	1.4
165.12724	2.2
169.10040	0.8
171.08101	1.3
171.11664	0.8
173.09610	0.5
173.13318	0.6
175.11159	12.7
185.09572	0.7
185.13217	1.1
187.11066	0.7
189.11229	1.3
193.12212	32.7
194.12558	0.8
195.11696	1.1
197.13254	0.7
199.11180	0.8
205.12196	0.9
206.53590	0.6
211.11279	1.1
211.13260	13.9
213.12845	0.7
215.14355	0.6
227.12685	1.1
229.14340	1.3
229.31093	0.5
231.13788	0.7
233.15506	0.7
237.12592	1.0
237.14873	0.5
249.12685	0.5
249.14746	2.4
255.13818	2.2
267.15869	100.0
268.16266	2.1
273.14847	4.4
283.15469	0.8
285.16928	12.6
341.21182	1.7
349.21561	2.6
357.01617	0.6
367.22650	7.3
385.23663	9.7
403.24762	2.7
415.24530	0.9
423.25128	0.8
433.25790	14.6
441.26202	6.3
459.27335	70.2
460.27719	3.0
477.28421	45.2
478.28876	2.2
501.28839	0.7
519.29413	1.0
619.57886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.1
55.01863	2.9
55.05253	0.7
55.05499	9.8
57.03425	10.2
57.07055	0.9
59.04977	1.1
61.02909	1.8
65.03923	1.1
67.05494	23.7
69.03424	4.2
69.07053	7.5
70.61508	0.5
70.74205	1.8
71.01340	0.7
71.04984	4.0
73.02885	1.6
79.05478	16.4
81.03403	35.7
81.07041	40.7
82.03712	0.8
82.07382	0.9
83.01316	0.5
83.04961	6.6
83.08135	0.8
83.08602	12.4
83.74632	0.5
85.02886	4.2
85.06528	3.1
87.04455	0.8
91.03941	0.8
91.05466	19.2
92.05763	0.6
93.07024	13.3
95.04953	13.3
95.08590	11.7
95.09116	0.3
95.14326	0.6
96.05289	0.5
97.02877	3.1
97.06507	4.3
97.10173	3.6
99.04432	1.0
99.08065	2.2
101.05982	1.1
105.03406	0.6
105.07008	19.4
107.04940	3.6
107.08574	12.2
109.02845	1.1
109.06506	5.3
109.10139	8.8
109.90463	0.5
111.04421	2.7
111.08080	5.3
113.05994	1.2
115.05464	0.8
115.75877	0.5
116.04698	1.0
117.06977	2.9
119.08558	17.3
121.06477	2.2
121.09295	0.9
121.10132	12.8
123.04443	0.9
123.08051	2.9
123.11688	12.0
125.06028	0.8
125.09597	3.3
127.03912	0.9
127.07526	1.5
129.05464	2.6
129.06967	5.1
131.08540	6.0
133.06454	2.1
133.10094	7.6
135.08012	1.5
135.11646	3.3
137.09595	2.0
137.13260	1.4
139.03864	0.9
142.07784	1.4
143.08537	1.0
145.06517	0.5
145.10092	4.3
147.04358	1.6
147.08009	2.0
147.11656	32.5
149.09584	3.1
149.13210	1.1
151.11194	1.4
153.09166	0.6
153.12781	1.0
157.08629	1.6
157.10100	6.5
163.11128	4.0
165.12740	12.8
167.10612	0.6
173.09526	1.1
173.11732	2.3
175.03815	0.6
175.11157	6.5
177.05391	0.7
181.12238	0.8
183.13786	0.9
184.07309	1.2
185.13240	0.8
187.15045	0.7
189.11235	0.6
191.10629	2.0
193.12213	14.9
199.13223	0.7
201.12840	0.6
209.11691	3.0
211.13210	3.0
223.13222	0.7
227.12729	3.2
229.14291	6.4
249.14780	1.2
253.14323	0.9
255.15715	0.7
267.15866	100.0
268.16174	2.0
269.17441	2.1
273.14880	0.5
281.17450	0.8
283.15338	4.9
285.16916	48.8
286.17487	1.1
287.05478	0.9
301.13892	0.5
301.16565	6.2
309.16730	0.7
365.23102	1.2
385.23532	0.9
403.24661	0.7
421.25748	0.9
423.26901	0.9
435.27347	1.6
437.25696	0.6
451.26978	1.0
455.26202	0.8
459.27347	8.3
460.27628	0.6
477.28406	54.1
478.28653	2.2
482.27374	0.7
495.29333	3.7
509.26828	2.9
519.29303	1.4
527.28607	1.9
585.30066	0.8
603.31897	0.9
631.26636	0.6
689.38525	1.0
697.62866	0.6
725.31964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01852	5.2
55.05507	29.8
57.03425	9.4
57.07066	8.1
59.05004	3.8
62.75336	1.7
67.05499	80.1
69.03413	8.9
69.07059	27.8
71.04982	18.7
71.08611	3.8
71.63090	3.0
73.02887	1.8
79.05488	49.4
81.03412	21.0
81.07048	100.0
82.07375	4.0
83.04968	16.2
83.08607	22.6
85.02897	5.2
85.06542	9.4
85.07012	1.5
86.09695	5.7
91.04898	1.9
91.05469	38.5
93.07031	48.5
94.07333	2.3
95.04952	7.1
95.08598	36.1
95.09162	3.6
97.02910	5.2
97.06519	5.9
97.10152	8.6
98.98454	3.7
99.04469	4.0
99.27888	1.8
99.82099	1.9
105.07027	25.5
107.08577	26.3
109.02878	2.0
109.06499	4.0
109.10156	27.6
111.04433	4.1
111.08118	2.1
111.11784	1.7
117.07008	7.0
119.08567	15.6
121.06536	3.3
121.10133	20.0
123.08026	3.3
123.11674	9.0
124.99989	3.1
125.09658	3.9
127.03893	2.8
129.05441	5.5
129.06998	5.0
131.08553	15.1
133.10123	23.2
135.08005	2.8
135.11681	13.7
137.09642	2.1
143.08504	3.0
145.10092	8.8
147.08061	2.7
147.11647	10.3
149.13206	9.3
151.11182	9.3
153.12796	2.3
155.08568	2.1
157.10123	3.8
159.11647	8.5
161.13258	6.4
163.11185	2.5
163.14949	2.0
169.10042	2.2
173.04469	7.5
173.11786	2.9
173.13274	5.3
175.14833	3.0
177.12740	5.2
183.11548	1.9
184.07272	19.1
185.07709	3.3
187.13274	5.9
191.10762	2.7
193.12288	2.4
195.13762	3.6
197.13293	2.6
229.14391	4.1
237.02438	2.0
237.22202	2.4
243.15881	4.1
261.22177	3.4
269.17233	9.0
301.20007	3.6
311.25665	3.4
322.25406	2.0
335.25748	28.6
360.08743	1.8
369.23972	2.1
413.21561	2.6
445.24170	5.9
465.29770	3.3
465.35709	30.8
466.35797	3.4
503.37286	42.1
505.38751	5.6
517.38745	5.9
529.38647	14.2
551.39502	4.0
561.41431	49.1
562.41614	2.7
576.59052	2.0
625.43982	3.7
647.41760	2.3
673.42566	6.4
691.43854	2.9
705.45520	13.2
723.46838	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.43
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.2
54.08621	1.1
54.12799	1.2
54.75110	1.2
55.01852	4.8
55.05505	27.0
56.16362	1.1
57.03423	9.3
57.07085	2.7
59.04981	1.9
61.02908	3.5
65.03920	2.6
67.05499	49.8
69.03423	6.5
69.07056	18.7
69.44617	8.4
69.45024	3.0
71.01359	1.5
71.04980	9.4
71.08630	1.8
71.17029	1.2
79.05484	35.1
81.03412	18.5
81.07050	48.2
83.04974	9.9
83.08610	16.4
85.02892	9.2
85.06519	4.8
91.03941	2.2
91.05469	40.9
93.07038	37.5
95.04964	11.8
95.08594	30.0
96.08890	1.4
97.02872	4.4
97.06522	8.0
97.10155	9.5
99.04430	2.4
99.08072	2.8
103.05401	2.2
105.07019	40.1
106.07358	3.0
107.04926	6.5
107.08585	22.2
109.02879	2.3
109.06486	5.1
109.10142	19.1
110.24353	1.2
111.04424	2.2
111.08061	5.3
115.05414	1.9
117.07004	18.6
119.07777	2.6
119.08564	31.3
120.08902	1.5
121.06489	2.4
121.10120	14.0
123.04465	1.3
123.08068	5.9
123.11707	2.8
125.00005	1.6
125.09619	6.4
127.03883	2.7
128.06241	2.8
129.07010	16.3
131.04828	1.3
131.08551	30.5
133.06422	2.4
133.10110	23.1
135.08011	4.3
135.11694	7.3
137.09596	3.5
139.11111	1.5
141.06946	5.9
142.07750	4.4
143.08533	18.8
145.06520	2.3
145.10103	24.8
147.07994	2.6
147.11671	15.2
149.09573	5.3
149.13190	3.9
151.07372	1.6
153.06984	1.8
153.09079	1.4
155.08542	15.6
157.10110	20.1
159.07988	1.5
159.11681	13.7
161.09595	2.5
161.13206	5.9
163.11185	3.9
163.14731	1.4
165.12790	1.2
167.08528	6.8
168.09319	1.5
169.10110	11.8
171.11636	14.7
173.04344	1.7
173.09602	3.1
173.11754	3.5
173.13246	6.7
175.11177	4.1
175.14757	3.2
179.08488	2.2
181.10089	8.0
183.11681	9.4
184.07198	5.9
185.09682	1.6
185.13226	7.9
187.11147	2.3
187.14821	4.8
189.11227	4.0
189.12787	1.4
193.10144	2.2
193.12178	6.1
195.11665	7.8
195.13503	1.6
197.13239	9.3
199.14749	6.4
201.12733	1.8
203.14357	1.6
207.11656	3.9
208.12326	1.9
209.13200	6.1
211.13223	5.4
211.14818	4.7
213.16431	2.7
217.15898	1.7
221.13222	3.4
223.14783	5.3
225.16316	2.9
227.12695	3.6
229.14230	6.5
231.20995	1.5
233.13382	1.5
235.15033	2.1
237.16380	1.7
239.17996	1.4
241.19466	5.5
243.15842	1.4
251.18010	1.5
257.19067	2.2
259.20508	12.5
267.15839	4.6
275.20270	5.8
281.10617	2.0
285.16937	4.7
297.22052	3.9
299.20209	3.0
299.23663	2.1
309.21994	1.6
313.21558	2.3
315.22977	2.6
333.24283	7.6
339.23010	2.0
349.23795	1.8
353.16147	2.5
353.24747	2.1
371.25620	1.8
379.25381	1.4
415.29889	3.3
417.26285	1.6
423.32718	2.5
433.25949	1.4
433.31073	15.7
445.29022	1.8
451.32083	7.5
461.28851	1.6
469.33209	5.9
471.31735	1.6
485.32480	3.5
487.34003	2.4
489.33203	2.6
503.33273	1.3
507.34811	7.6
515.37286	4.5
517.34882	3.9
525.35699	44.2
526.35834	6.7
529.35022	1.9
543.36743	100.0
544.37103	13.2
561.29730	2.0
561.37793	32.1
562.37933	2.6
636.25482	1.6
705.41180	4.0
723.40533	1.8
724.38922	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.2
55.01846	0.2
55.05489	0.4
55.44863	0.2
56.04998	0.6
57.07042	0.4
58.06564	1.1
59.07363	0.6
60.08155	5.4
61.35752	0.2
67.05476	0.7
69.07055	0.4
71.07365	2.8
71.08611	0.2
71.63080	0.4
79.05434	0.6
81.07019	0.8
83.04978	0.2
83.08588	0.3
85.75711	0.2
86.09694	26.9
87.10012	0.3
91.05449	0.6
93.07015	0.7
95.04909	0.3
95.08582	0.5
97.10118	0.3
97.52660	0.2
98.98452	2.3
104.10735	2.2
105.06992	0.7
107.08556	0.7
109.06519	0.2
109.10143	0.4
119.08556	0.5
121.10149	0.3
124.99989	17.2
131.08536	0.3
133.10100	0.3
145.10060	0.3
184.07317	100.0
185.07594	1.2
222.08876	0.4
238.08316	1.0
496.34021	0.2
531.40680	0.4
657.03430	0.2
722.45990	8.1
723.45508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.1
56.05013	0.4
57.07057	0.2
58.06568	1.4
59.07364	1.3
60.08150	4.8
60.95549	0.1
67.05481	0.2
69.54882	0.4
69.55309	0.3
71.07356	2.3
71.08636	0.1
79.05470	0.1
81.07031	0.3
86.09686	24.0
87.10012	0.3
93.07043	0.1
94.07277	0.1
95.08588	0.2
98.98439	2.1
104.10719	2.0
122.36732	0.1
124.99975	15.6
133.10088	0.1
142.17929	0.1
143.01050	0.3
147.41602	0.1
163.01431	0.1
166.02715	0.1
184.07297	100.0
185.07663	1.2
201.97607	0.1
222.08853	1.2
224.10408	0.2
238.08395	0.2
240.09903	0.3
282.11142	0.2
330.01282	0.1
341.12372	0.1
354.13211	0.2
367.28537	0.1
373.11325	0.2
420.02087	0.1
550.34912	0.2
578.38123	0.1
620.42963	0.1
722.45825	7.4
723.45996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01860	3.9
55.05253	0.7
55.05502	8.5
56.25112	0.3
57.03430	7.4
57.07068	0.8
59.04986	1.2
61.02913	0.7
63.66874	0.3
65.03926	0.7
66.47420	0.4
67.05493	12.2
69.03427	2.4
69.07056	3.2
70.04355	0.4
71.01324	0.4
71.04985	2.1
79.05477	12.9
81.03406	31.4
81.06566	0.7
81.07044	13.1
83.01312	2.2
83.04962	6.3
83.08610	9.5
85.02881	2.3
85.06535	0.9
91.03963	0.7
91.05465	10.8
93.07030	12.7
93.07619	0.7
95.04957	11.4
95.08604	6.5
97.02877	2.8
97.06509	2.6
97.10154	4.0
99.04460	1.3
99.08057	0.7
103.05425	0.5
105.03416	0.4
105.07018	8.2
106.11907	0.3
107.04945	6.6
107.08585	8.7
109.02878	1.0
109.06509	3.5
109.10143	3.3
111.04416	2.7
111.08064	3.0
115.05448	0.5
117.07020	4.0
119.04891	0.5
119.08567	7.8
121.06468	2.6
121.10118	5.1
123.04435	1.3
123.08057	4.0
125.05995	0.9
125.09616	3.9
128.06186	0.6
129.06981	3.8
130.07765	0.5
131.04898	1.1
131.08559	5.5
132.08994	0.3
133.06509	1.3
133.10110	3.8
135.04401	0.4
135.08076	1.8
135.11676	4.6
137.05949	0.9
137.09604	1.2
139.07500	0.5
141.06953	0.6
142.07787	0.5
143.08540	1.4
145.06442	1.9
145.10104	7.2
147.04404	1.3
147.08041	2.6
147.11656	3.6
149.09586	2.4
151.11171	0.6
153.09090	0.7
153.12669	1.0
155.08549	0.9
157.06509	0.6
157.10118	4.0
159.08020	1.0
159.11694	0.8
161.05911	1.8
161.09633	1.1
163.07527	0.4
163.11142	8.6
164.11563	0.4
165.12817	0.6
167.10696	0.4
169.06451	0.5
169.10120	1.1
171.08060	0.7
171.11661	1.0
173.06013	0.4
173.09593	2.4
175.11156	3.5
176.85387	0.4
177.05463	0.6
177.12695	0.4
180.87277	0.4
181.12289	1.3
183.11726	0.9
184.07382	1.2
185.09566	0.6
185.13223	0.6
187.11201	0.6
189.09346	0.4
189.11183	1.7
189.12685	0.5
191.10570	2.0
193.10419	0.5
193.12222	9.0
194.12547	0.4
195.11720	0.4
197.09456	0.4
203.14301	0.5
205.12187	1.2
207.13756	0.9
209.11720	3.3
209.13426	0.6
211.11250	0.9
211.13269	2.0
213.12801	0.6
227.12729	3.2
229.47289	0.5
231.13788	1.9
239.12787	0.4
243.13873	1.2
249.14912	0.8
253.12206	0.5
267.15884	20.4
268.16354	0.7
269.15195	0.6
271.13217	1.0
271.16574	0.5
273.14786	1.3
281.17499	0.8
283.15356	17.7
285.16974	1.3
289.14291	2.0
301.16547	0.6
335.80194	0.4
337.21472	0.7
347.20026	0.5
355.22638	1.1
365.20917	2.4
383.22113	12.9
384.22144	0.6
401.23126	5.7
402.23245	0.4
407.24368	0.4
419.24210	1.2
421.23624	0.5
431.24194	0.6
434.40326	0.4
439.24802	1.3
447.31656	0.5
457.25806	21.0
458.26102	0.7
461.28650	1.3
471.27573	0.4
475.26868	100.0
476.27197	5.2
489.28430	1.7
493.27930	13.5
493.35178	0.7
494.28510	0.7
507.29446	2.8
517.27875	1.2
525.30212	0.5
583.28790	0.7
601.29633	0.7
648.62524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03932	4.6
55.01862	2.4
55.05506	19.2
57.03429	8.1
57.07060	2.1
59.04989	0.7
65.03918	3.0
67.05495	61.5
69.03410	1.6
69.06710	1.0
69.07061	13.8
69.86868	3.4
71.04979	2.6
73.06544	1.2
74.81255	0.6
77.03907	1.0
79.05483	66.4
80.05813	1.2
81.03413	5.5
81.07047	54.0
83.04967	9.1
83.08604	8.3
85.02913	0.6
85.06523	2.0
86.09682	1.1
88.70838	0.7
91.05470	46.3
93.07031	64.6
94.07368	1.4
95.04957	15.0
95.08594	34.4
97.02863	1.0
97.06506	3.9
97.10150	3.8
99.08084	1.1
99.79845	0.5
105.04488	1.3
105.07018	36.2
106.07294	0.7
107.04948	4.1
107.07847	1.1
107.08582	21.6
109.06522	4.8
109.10146	11.5
111.08044	1.8
115.05405	1.0
117.07005	7.9
119.08566	20.3
119.52563	0.6
121.06485	2.3
121.10128	12.8
123.08068	3.4
123.11725	2.8
124.99981	1.3
127.07565	0.7
128.06221	1.5
129.06998	12.1
130.83127	0.6
131.08556	7.0
133.10112	10.0
135.08032	1.0
135.11681	6.9
137.09631	0.9
137.13142	0.8
141.06982	1.0
143.08536	7.1
145.10101	11.4
147.08012	1.2
147.11668	26.5
149.13231	3.4
157.10088	0.9
159.11615	3.1
161.09618	2.5
161.13240	9.1
163.11203	1.0
163.14821	1.1
169.10083	1.0
171.11658	18.3
173.13246	2.6
177.12886	0.9
184.07310	3.4
185.13280	0.8
189.12721	5.7
207.13773	19.6
225.14964	1.0
243.21100	2.1
259.20700	0.6
261.22061	5.5
279.16016	2.1
281.17441	55.0
282.17850	1.3
315.09824	0.6
317.24799	1.4
328.18973	0.6
335.25751	51.9
336.26218	1.7
434.20602	0.6
447.42770	0.6
449.34137	0.9
467.35269	1.4
476.20807	0.8
477.22464	1.2
541.38818	100.0
542.38995	3.9
559.39886	1.4
623.27747	1.8
624.28467	3.9
665.96600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.45
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.0
55.05497	16.1
57.03425	7.6
57.07059	3.8
60.08150	3.7
60.45484	1.2
65.03939	2.6
67.05494	51.1
69.03394	2.5
69.07063	11.4
69.42380	1.3
69.93965	7.1
71.04974	1.3
71.07349	1.3
79.03516	1.3
79.05479	60.9
81.03402	7.7
81.06567	2.9
81.07038	46.6
83.04967	9.3
83.08587	8.0
84.98716	1.4
85.02905	2.1
85.06521	2.2
86.09689	18.7
91.05466	40.3
93.07025	59.7
95.04948	17.6
95.08590	35.2
95.09054	0.8
97.02821	2.1
97.06506	3.7
97.10155	4.0
98.21358	2.0
104.10683	1.7
105.07005	27.9
107.04937	4.9
107.08584	20.8
109.06492	5.0
109.10139	10.9
111.08070	1.7
117.07011	7.7
119.08556	20.3
121.06456	1.8
121.10127	11.8
123.08019	4.4
123.11698	3.1
124.99982	12.0
129.06969	11.4
131.08588	7.1
133.10109	10.0
135.08031	1.9
135.11662	7.4
137.09489	1.4
143.08514	5.6
145.10086	7.1
147.08031	2.2
147.11676	24.7
149.13257	3.3
159.11656	3.9
161.09593	3.2
161.13214	10.5
169.10129	1.4
171.11668	17.6
173.13258	2.8
184.07314	66.8
185.07613	1.6
188.60432	1.5
189.12727	5.4
207.13771	19.0
243.21033	2.1
261.22177	4.5
277.37967	1.3
281.17419	53.6
321.96982	1.5
334.11102	1.4
335.25729	49.5
336.26050	2.8
398.26831	1.4
449.34335	1.7
541.38812	100.0
542.39001	5.2
721.44696	2.3
722.45264	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	721.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61276	0.9
53.03935	4.1
55.01858	2.6
55.05504	17.2
57.03428	8.4
57.07067	2.5
60.08149	2.5
65.03931	2.1
67.05495	57.8
68.05835	1.3
69.03411	2.6
69.07061	13.4
70.03568	3.6
71.04984	2.2
71.07365	2.6
71.08614	1.3
73.06538	1.4
79.05482	52.1
80.05801	1.4
81.03398	5.8
81.07044	48.2
82.07386	1.0
83.04971	8.0
83.08605	6.4
85.06498	1.5
86.09695	13.8
87.10021	1.1
91.05470	40.2
93.07030	56.5
94.07367	1.1
95.04952	11.9
95.08594	34.7
97.06519	3.5
97.10152	4.0
98.98424	1.0
99.08043	1.4
105.04485	1.0
105.07018	29.0
107.04987	4.6
107.08585	19.2
108.27960	1.0
109.06506	2.7
109.10136	11.7
111.08043	1.1
117.06994	7.2
119.08556	15.3
121.06528	1.8
121.10119	11.2
123.08054	4.3
123.11699	2.5
124.99973	8.7
125.09604	1.4
128.06230	2.0
129.05470	1.4
129.06989	7.7
131.08565	6.5
133.10115	10.9
135.11678	6.1
143.08533	5.9
145.10121	8.3
147.08061	1.4
147.11662	20.5
147.13487	1.0
148.11951	0.8
149.09682	0.9
149.13251	3.1
157.10074	1.4
159.11671	2.8
161.09607	3.0
161.13237	5.2
163.11180	0.9
171.11653	12.0
173.13203	2.5
175.15059	0.9
184.07314	41.0
185.07671	3.1
189.12665	4.3
207.13774	13.7
243.21071	1.4
259.20767	1.1
261.22089	5.1
279.15726	1.0
281.17441	28.9
282.17810	1.7
293.12579	1.0
317.24673	1.8
335.25763	48.5
336.26053	2.8
359.27893	0.9
449.34317	1.2
464.93588	1.2
523.38068	1.1
541.38855	100.0
542.39014	10.2
721.44659	2.7
722.46399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.9
55.01866	18.8
55.05502	38.1
57.03429	16.1
59.04978	2.2
61.02917	3.5
65.03931	3.2
67.05492	73.1
69.03070	2.0
69.03419	29.6
69.07056	31.3
69.51751	14.0
71.04983	12.6
73.02884	3.7
79.05480	66.3
81.03403	100.0
81.07043	79.8
83.04964	29.0
83.08604	34.0
83.09096	1.7
85.02891	23.3
85.06518	4.9
86.09708	1.6
91.03944	2.5
91.05462	67.8
92.28127	1.6
93.07026	64.9
95.04955	32.3
95.08588	43.9
97.02872	21.2
97.06522	21.1
97.10163	16.0
99.04459	8.3
99.08054	3.2
103.05400	1.7
105.04502	2.4
105.07014	63.5
107.04939	23.4
107.08578	42.8
109.02876	17.9
109.06517	12.6
109.10144	26.7
111.04424	13.6
111.08041	12.7
113.05980	2.0
115.05435	3.7
117.06997	21.7
119.04961	1.7
119.08567	50.5
121.06477	8.1
121.10119	25.6
123.08040	6.4
123.11681	6.7
125.09623	14.6
127.03886	11.7
127.07462	1.8
128.06230	3.5
129.05458	5.8
129.06979	20.7
131.04912	2.5
131.08539	37.5
133.06471	7.2
133.10110	36.6
134.10458	2.2
135.08032	9.5
135.11685	12.2
137.05875	2.3
137.09605	9.9
141.06963	5.7
142.07802	2.7
143.08549	12.2
145.06474	5.3
145.10101	31.2
147.08020	9.5
147.11661	33.6
149.05922	1.9
149.09619	19.6
149.13231	6.8
149.67165	1.6
151.11166	5.1
153.09157	1.9
153.12775	2.1
154.07742	2.1
155.08582	7.7
157.10098	19.9
159.08011	4.9
159.11667	17.1
161.06067	1.6
161.09610	6.2
161.13260	6.3
163.11154	14.2
165.09102	2.5
165.12756	6.6
167.08551	3.2
169.10117	8.9
171.08101	2.2
171.11647	11.3
173.04414	17.0
173.09572	5.9
173.11819	3.1
173.13252	10.0
174.48615	1.6
175.11115	15.9
175.14658	1.9
177.12738	5.4
179.08379	1.9
179.14268	3.7
181.10135	4.0
181.12206	3.1
183.11621	8.1
184.07344	8.4
185.13242	6.1
187.11098	3.7
187.14854	2.4
189.11208	8.2
189.12737	3.0
191.10669	3.0
193.12201	37.0
195.11685	2.6
197.09631	1.9
197.13245	5.9
199.11174	3.0
199.14821	2.5
201.12717	3.5
203.14595	1.9
209.11603	2.2
209.13336	1.9
211.11285	3.0
211.13214	42.5
213.12782	2.1
213.16389	3.2
215.17938	1.7
217.12299	2.2
227.12677	14.9
229.14253	8.0
229.19551	4.8
239.17902	3.2
245.15604	2.0
247.20512	6.3
249.14784	3.7
253.18073	1.9
255.07776	1.8
257.18887	14.0
259.20599	1.8
267.15906	26.5
273.15320	1.7
273.18439	2.5
275.20023	74.4
276.20407	2.3
283.15512	1.9
285.16922	22.7
291.19653	1.8
293.21030	8.2
299.20172	3.3
302.87793	1.6
309.17062	2.0
317.21170	2.3
327.10580	1.6
331.22580	2.3
337.16562	1.7
341.21024	1.7
347.22345	1.6
349.23709	41.6
350.23706	1.6
355.17419	2.9
355.22256	1.9
367.24683	2.5
387.25583	2.2
393.18842	3.0
401.23340	1.9
410.46680	1.8
411.20111	5.5
419.24167	2.6
429.21161	19.1
431.29352	2.6
439.26062	1.6
447.27441	2.6
449.30206	4.6
461.28802	6.0
467.31516	2.9
485.33170	3.1
493.27975	2.9
501.32407	2.2
513.35651	4.2
523.34198	5.2
531.36469	2.7
541.35193	62.6
542.35651	3.4
559.36182	53.0
560.36530	3.7
577.37396	4.4
601.36121	2.1
623.34412	4.0
667.38159	4.6
685.39447	7.9
703.40338	35.7
704.40485	3.2
721.41449	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	721.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.8
55.01862	28.5
55.05260	2.1
55.05502	30.2
57.03428	14.8
57.07040	1.3
59.04969	1.8
60.25160	1.2
61.02893	1.9
65.03922	3.6
67.05492	57.0
69.03417	19.1
69.07056	32.4
69.59794	10.1
71.01309	1.5
71.04982	9.3
73.02880	3.1
79.05482	48.2
81.03403	95.6
81.07040	72.8
82.54954	1.2
83.04965	27.0
83.08604	25.8
85.02889	17.4
85.06520	4.4
91.05466	74.1
93.07029	47.8
95.01315	10.8
95.04954	35.2
95.07963	1.7
95.08589	37.8
97.02873	23.6
97.06515	43.9
97.10149	8.5
99.04430	5.2
99.08077	2.2
103.05450	2.1
105.07014	97.0
107.04933	25.0
107.08578	25.0
109.02869	11.7
109.06519	11.5
109.10143	11.7
111.04424	11.2
111.08054	11.3
113.05991	1.6
113.09633	2.1
115.05422	2.3
116.06162	1.5
117.06991	18.4
119.08563	51.7
121.06486	7.2
121.10120	17.2
123.04383	2.8
123.08026	8.6
123.11665	5.0
125.05966	1.6
125.09612	5.5
127.03899	9.3
128.06161	1.2
129.05447	3.6
129.06989	11.6
131.08551	30.3
133.06454	4.9
133.10109	51.6
135.08029	5.1
135.11652	10.7
137.09596	5.2
139.07509	4.0
139.11102	1.2
141.06969	3.9
142.07767	3.6
143.08542	7.6
145.06462	3.0
145.09023	1.8
145.10103	24.5
147.08035	6.0
147.11650	26.5
149.09596	13.4
149.13214	5.3
151.11145	5.2
153.12717	2.6
154.49304	1.3
155.08551	3.9
157.10101	17.7
159.08046	2.6
159.11670	12.9
161.09608	2.3
161.13203	5.8
161.97008	1.2
163.11148	9.9
165.06947	1.4
165.09113	1.9
165.12680	4.1
165.56937	1.2
169.10088	5.5
171.11661	5.5
173.04384	4.6
173.13203	5.3
175.11142	12.8
177.12721	4.1
179.14272	14.2
181.12239	3.1
183.11626	2.2
184.07344	2.0
185.13191	2.7
187.11182	3.9
187.14757	1.3
191.10683	3.1
193.12212	34.9
197.13232	3.3
201.12756	2.0
203.14217	2.0
205.12189	3.0
211.13248	39.7
213.12825	1.3
227.12720	5.1
229.14236	3.4
229.19435	1.9
239.17915	1.8
241.14232	2.5
247.20462	5.6
249.14781	2.9
257.19052	7.7
267.15872	43.5
269.17413	1.8
273.18411	3.1
275.20013	100.0
276.20340	2.7
279.15970	3.1
283.15485	1.8
285.16965	13.6
291.15839	1.8
291.19254	1.5
293.20996	6.7
319.15317	1.8
337.16248	2.0
349.23679	52.8
350.24136	2.3
355.17484	3.2
411.19843	7.2
413.17480	1.4
419.24393	2.1
429.21158	53.1
461.28790	1.6
541.35181	93.5
542.35211	3.9
559.36279	31.3
560.36975	2.3
685.38556	3.0
703.40344	69.2
704.40533	4.5
721.38110	16.0
752.15228	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.3
53.03927	8.9
55.01866	12.6
55.05505	34.6
57.03432	16.5
59.05016	1.8
61.02920	6.1
65.03933	3.4
67.05494	69.3
68.08845	1.3
69.03415	24.6
69.07057	23.2
69.51666	2.1
69.52062	10.6
71.01340	2.2
71.04987	14.3
73.02911	4.2
75.35252	1.3
79.05482	61.9
81.03406	100.0
81.07043	79.3
83.04970	26.4
83.08611	28.2
85.02890	21.0
85.06547	5.1
86.09691	2.7
91.05469	68.1
93.07029	54.0
94.07372	1.8
95.04954	34.9
95.08595	36.7
97.02885	21.9
97.06519	15.7
97.10160	14.7
99.04433	9.0
99.08091	4.3
105.07013	55.3
106.07363	1.4
107.04932	16.9
107.08577	37.1
109.02850	16.3
109.06500	12.9
109.10140	21.8
111.04439	8.5
111.08070	11.0
113.05957	2.2
115.05440	3.7
117.07013	21.4
119.08564	46.8
121.06503	11.2
121.10128	22.0
123.04425	3.9
123.08063	9.4
123.11697	6.6
125.00006	2.2
125.09609	14.5
127.03893	14.3
128.06245	4.6
129.05464	6.0
129.06979	18.6
131.04901	2.6
131.08545	34.4
133.06479	6.3
133.10121	27.9
135.08092	9.0
135.08963	1.8
135.11653	13.6
137.05925	2.9
137.09612	6.8
141.06953	4.5
142.07765	4.3
143.08548	13.1
144.09262	1.6
145.06468	5.1
145.10114	27.0
147.04402	3.0
147.08012	7.7
147.11661	26.4
149.09589	10.9
149.13287	8.0
151.11171	5.1
153.09070	1.4
153.12730	2.5
155.08525	7.2
157.06494	2.5
157.10107	21.5
159.08058	5.3
159.11644	15.9
159.12605	1.5
161.09634	4.1
161.13242	6.5
163.03877	2.1
163.11128	10.9
165.09157	2.8
165.12762	5.4
167.08568	3.4
167.82597	1.4
169.10110	9.5
171.08044	2.4
171.11678	10.4
173.04437	37.0
173.05785	1.4
173.09618	4.3
173.11871	1.6
173.13237	7.6
175.11156	11.1
177.12740	5.8
179.08548	1.8
181.10066	3.3
181.12227	3.5
183.11673	7.1
184.07320	13.2
185.07867	1.6
185.09543	2.8
185.13214	6.8
187.11089	3.9
187.14832	2.4
189.11208	6.4
189.12701	3.6
191.10545	4.0
193.10362	2.7
193.12198	28.2
193.13840	2.6
195.11656	5.3
195.13629	3.3
197.13243	6.4
199.11107	2.1
199.14854	3.2
201.12752	3.3
201.16335	2.2
205.12222	1.6
209.09671	1.7
209.11545	1.9
211.11275	1.8
211.13223	36.8
213.12794	2.1
215.14339	2.0
217.12360	2.2
219.13821	1.6
219.17616	1.8
227.12697	11.4
229.14357	5.1
229.19600	2.2
233.46962	1.7
235.13251	2.0
239.17981	4.3
245.19049	1.8
247.20639	4.6
249.14777	2.6
251.16455	2.1
257.18948	9.8
267.13239	2.7
267.15875	24.4
269.17545	5.4
273.14774	3.4
273.18558	4.6
275.20016	38.6
285.16882	17.1
291.19519	2.3
293.21042	4.8
297.22168	2.4
299.19968	4.7
301.14178	3.1
301.21655	2.1
313.21719	1.6
315.23126	3.2
317.20987	2.6
325.21643	1.5
331.22641	3.5
341.21262	1.9
347.22180	2.3
349.23700	21.1
351.23123	2.5
355.17596	3.5
355.22357	2.1
361.23770	1.6
365.20642	1.8
367.53619	1.5
369.24149	2.8
373.23660	3.4
375.18100	2.1
383.22098	2.3
393.18634	1.9
395.20584	2.1
411.20081	2.8
417.26736	1.6
421.25998	2.4
429.21106	4.7
431.29514	3.6
435.27496	2.8
443.28177	2.4
447.27322	2.9
449.30148	5.1
461.29092	10.5
467.31384	4.7
479.30219	4.6
485.32581	2.0
493.27997	3.0
501.32245	2.4
513.35986	3.1
523.33936	5.9
531.36658	5.6
541.35217	53.1
542.35675	3.1
557.34454	1.8
559.36249	44.5
560.36072	1.7
569.30920	1.9
577.37354	1.9
583.36060	2.8
587.32007	1.8
605.33014	3.1
623.34369	9.1
667.37738	4.2
685.38812	5.7
703.40466	18.8
721.41516	21.1
722.40417	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.1
55.01849	1.0
55.05500	9.6
57.03430	10.8
57.07067	23.9
58.06578	0.4
60.08152	2.8
61.02918	2.9
65.18686	0.5
67.05495	16.3
69.03394	1.9
69.06727	0.6
69.07056	8.0
71.04987	2.6
71.07346	1.2
71.08620	20.7
71.33829	0.7
73.02892	1.0
79.05479	9.5
81.03407	27.6
81.07045	21.3
83.04557	0.5
83.04972	6.6
83.08604	17.7
85.02889	15.0
85.06508	1.0
85.10170	12.7
85.52072	0.5
86.09691	12.7
87.09982	1.0
89.06025	1.3
91.03899	1.8
91.04897	0.5
91.05465	15.3
93.07023	8.3
95.04956	12.2
95.08592	16.2
97.02869	2.8
97.06523	2.5
97.10159	5.6
98.98437	0.7
99.08029	0.7
99.11700	0.9
103.07529	0.9
103.72056	0.5
104.10698	0.6
105.07011	10.6
107.04947	3.2
107.08586	4.5
109.06495	2.2
109.10140	8.1
111.04388	1.3
111.08061	4.8
111.11649	0.5
113.05918	1.2
115.05409	1.1
117.06973	1.1
119.07782	0.7
119.08569	9.3
121.06481	1.3
121.10133	4.4
123.08004	1.7
123.11687	3.9
124.99975	7.1
125.05916	0.5
125.09596	0.5
126.00330	0.5
127.00416	0.5
128.06070	0.5
129.07008	4.6
131.08543	5.7
133.06462	1.5
133.10101	5.8
135.11684	0.5
137.09579	0.8
137.13213	1.2
139.11171	0.6
142.07738	0.9
145.04951	0.5
145.10094	1.2
147.07991	1.8
147.11664	7.4
149.09560	2.9
154.67322	0.5
157.10118	7.3
163.11079	0.6
165.12712	1.5
173.13132	0.5
175.11153	7.8
184.07312	36.2
185.07684	4.7
186.07712	2.1
193.12218	22.0
193.88112	0.6
211.13255	25.4
214.32635	0.5
239.23726	1.6
249.14764	0.5
257.24683	1.6
267.15854	13.0
275.19977	0.7
285.16910	34.8
286.17297	1.0
313.27322	79.8
314.27756	1.7
380.41977	0.5
471.80621	0.5
504.14780	0.5
505.38840	16.2
506.38916	0.8
523.39868	100.0
524.40118	4.1
531.99884	0.5
623.28418	0.7
667.45129	0.7
720.35236	0.8
720.47546	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	720.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.01857	1.5
55.05252	1.0
55.05500	12.2
57.03430	12.6
57.07068	27.4
59.04989	0.5
60.08153	1.3
60.76041	0.6
61.02920	4.1
65.03912	0.8
67.05495	23.8
69.03418	3.2
69.06701	1.1
69.07053	10.3
69.32278	6.6
71.04967	3.0
71.07374	0.7
71.08620	21.1
73.02897	1.7
74.62608	0.6
79.05477	19.5
81.03403	39.8
81.07045	30.2
83.04967	9.9
83.08605	23.7
83.09107	0.9
85.02892	19.2
85.06518	2.6
85.09652	0.7
85.10165	12.1
86.09687	6.3
87.04435	0.8
89.05994	1.8
91.03931	1.7
91.05467	20.3
93.07027	15.1
95.04948	17.7
95.08588	21.4
96.08940	0.9
97.02864	3.7
97.06520	3.0
97.10141	5.3
99.08054	1.3
103.07571	0.7
105.07015	15.0
107.04934	4.6
107.08578	7.4
109.06524	3.2
109.10137	9.1
111.04434	0.9
111.08070	7.8
113.05975	1.9
115.05460	1.2
117.06970	1.1
119.08561	14.8
121.06480	1.1
121.10117	7.7
123.08060	2.0
123.11686	4.4
124.54228	0.5
124.78149	0.6
124.99999	4.1
125.09620	1.1
127.03868	1.0
129.06979	8.7
131.08540	7.7
133.06467	1.7
133.10115	9.4
135.11671	1.1
137.09587	1.6
137.13210	1.3
142.07750	1.4
145.10089	2.0
147.08009	2.6
147.11659	11.0
149.09558	5.2
151.11107	0.7
151.14790	0.7
157.10109	9.7
161.13290	0.7
163.11165	1.0
165.12683	1.6
171.11711	0.9
175.11157	12.9
180.05948	0.7
184.07312	20.4
185.07735	1.2
193.12215	29.2
203.18384	0.6
207.13728	1.2
211.13252	48.6
212.13589	1.2
218.08662	0.6
219.76109	0.6
239.23779	1.7
257.24805	1.7
267.12973	1.1
267.15857	18.4
281.17447	2.5
285.16925	71.5
286.17325	1.8
313.27322	74.0
314.27805	2.1
335.25641	0.9
426.27063	0.6
465.35623	1.1
503.37289	1.2
505.38797	15.4
519.64008	0.7
523.39868	100.0
524.39960	4.6
541.38800	6.3
577.03809	0.6
720.34735	1.0
720.47772	2.4
721.35394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.05026	0.5
57.07052	0.2
58.06291	0.1
58.06610	0.5
59.07386	0.1
60.08153	6.3
67.05478	0.3
69.07048	0.2
69.32153	0.5
69.32565	0.2
70.06575	0.1
71.04979	0.1
71.06966	0.1
71.07362	3.0
71.08624	0.2
74.40859	0.1
74.72012	0.1
79.05454	0.2
80.97427	0.1
81.03400	0.1
81.07024	0.3
83.08596	0.2
85.02886	0.1
86.09692	29.7
87.04438	0.1
87.10012	0.3
91.05459	0.3
93.07003	0.1
95.08587	0.2
98.98449	2.7
104.10725	2.2
105.07031	0.1
107.08551	0.1
109.10098	0.2
119.08545	0.1
121.10114	0.1
124.99984	19.6
126.00320	0.1
143.01003	0.3
149.09596	0.1
166.02623	0.1
184.07310	100.0
185.07640	1.1
305.07062	0.1
313.27313	0.1
322.12418	0.1
468.23126	0.1
510.35449	0.1
620.06671	0.1
702.46710	0.2
720.47980	10.1
721.48468	0.9
724.29535	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	720.4431
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
55.05495	0.3
56.05016	0.5
57.07060	0.3
58.06610	0.5
58.37920	0.1
59.07362	0.2
60.08150	5.6
67.05482	0.8
69.07059	0.3
69.32634	0.2
71.07362	3.1
71.62836	0.2
79.05460	0.5
81.03404	0.3
81.07029	0.6
83.04938	0.2
83.08602	0.2
86.09689	28.2
87.10022	0.5
91.05466	0.5
93.07018	0.6
95.04937	0.4
95.08585	0.6
97.06525	0.2
98.98445	2.5
104.10719	2.5
105.07010	0.5
107.08551	0.3
109.10139	0.3
117.07026	0.2
119.08523	0.5
121.10163	0.2
124.99979	19.7
131.08580	0.2
133.10135	0.3
134.37512	0.2
135.11627	0.2
138.65694	0.2
141.06895	0.2
143.01060	0.4
145.10124	0.2
149.09589	0.2
166.02631	0.3
184.07304	100.0
185.07681	0.7
186.07761	0.3
275.19940	0.3
314.27646	0.2
496.33817	0.2
720.44330	8.5
721.44128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
53.03934	2.1
55.01865	1.6
55.05264	0.5
55.05502	6.5
57.03423	4.6
57.07043	0.5
62.93658	0.3
65.03922	1.1
67.05493	17.1
69.03400	1.5
69.07045	4.4
69.48605	2.9
71.04971	1.4
73.06532	0.8
77.12160	0.3
79.05479	26.7
81.03404	36.0
81.07043	16.3
83.04970	5.7
83.08602	9.2
85.02879	0.8
85.06520	1.1
91.05466	20.8
93.07027	26.2
95.04952	15.3
95.08593	9.3
96.36167	0.3
97.02888	1.7
97.06522	2.1
97.10167	1.9
99.08060	1.0
105.04507	0.4
105.07011	18.2
107.04944	4.6
107.08574	7.5
109.06502	3.6
109.10123	2.1
111.04422	0.9
111.08073	3.0
115.05449	1.1
117.07011	2.9
119.08556	12.5
121.06480	2.3
121.10115	3.6
123.08046	2.6
125.09598	0.9
127.07512	0.9
128.06174	0.9
129.06004	0.5
129.06984	9.4
131.08537	3.8
133.06456	1.5
133.10115	6.1
135.08003	0.6
135.11662	1.1
135.33144	0.3
137.09583	0.8
141.09056	0.4
142.07771	1.0
143.08533	3.4
145.06392	0.4
145.10094	4.6
147.08012	2.4
147.11658	18.0
149.09573	2.0
155.08562	0.4
157.10104	4.2
161.09575	1.7
161.13213	4.1
163.11160	1.0
165.12735	1.0
169.10147	0.4
171.11658	10.1
175.11171	4.0
184.07341	0.4
189.12706	4.0
190.14471	0.3
193.12227	9.6
207.13774	9.5
207.15703	0.6
211.13287	1.0
225.14905	0.4
249.14813	0.9
267.15863	32.1
268.16141	0.9
281.17422	37.7
282.17743	0.7
309.16803	0.5
347.76810	0.4
370.05463	0.3
370.45508	0.3
421.25653	0.8
447.27051	0.8
455.28400	0.6
473.28909	100.0
474.29367	4.5
491.30051	3.5
511.67874	0.4
515.29877	2.1
523.28986	0.8
537.85419	0.4
581.30896	0.7
599.33337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.7
53.03939	7.7
55.01863	3.6
55.05501	29.8
57.03428	10.6
57.07060	4.3
61.02906	3.7
65.03918	3.1
67.05491	74.1
67.44005	1.2
69.03404	4.1
69.07057	24.7
71.04976	4.8
73.02901	1.4
73.06523	1.7
77.03930	1.6
79.05476	82.0
81.03400	11.0
81.07039	68.0
83.04970	12.7
83.08607	11.4
85.02888	4.8
85.06513	4.1
91.05463	92.4
93.07025	100.0
95.04951	19.8
95.08588	40.3
95.64609	1.5
97.02863	4.0
97.06524	7.7
97.10148	5.7
99.08120	1.7
103.05469	2.6
105.04508	1.8
105.07008	76.8
106.07363	1.5
107.04953	7.4
107.08572	33.6
109.06499	9.3
109.10130	14.4
111.04406	1.7
111.08058	2.6
115.05445	1.4
117.07002	25.3
119.08559	63.6
120.08940	1.6
120.18930	1.1
121.06467	4.4
121.10107	19.8
123.08029	8.6
123.11680	3.1
125.09637	2.7
128.06178	4.4
128.80392	1.3
129.06975	25.4
130.07828	1.5
131.04869	1.3
131.08540	27.6
133.10107	38.3
135.08000	2.6
135.11668	14.3
137.09593	2.2
141.06967	3.6
142.07771	1.4
143.08533	21.9
145.10086	30.7
147.08009	3.6
147.11655	59.3
149.09618	2.5
149.13237	8.6
151.11186	1.5
152.06674	1.5
153.06894	1.5
154.07698	1.8
155.08507	8.5
156.09288	3.3
157.10103	14.4
159.11653	20.3
161.07057	1.2
161.09599	4.4
161.13229	33.9
163.11163	2.3
163.14774	2.8
167.07172	1.3
167.08545	3.8
169.10112	10.2
171.11658	37.3
173.13220	11.8
175.14783	12.1
177.12729	1.6
179.08554	1.3
181.10069	5.0
183.11623	9.1
184.07312	1.9
185.13217	10.8
187.11156	2.5
187.14790	5.2
189.12721	7.8
193.10187	2.2
195.11681	4.4
197.13242	4.9
199.14806	7.1
207.11829	2.3
207.13759	20.3
209.13237	5.1
211.14764	3.5
213.16373	3.9
215.17816	2.0
217.15994	1.6
217.19510	2.9
223.14877	3.1
227.52274	1.3
231.21062	4.2
235.14775	1.6
237.16499	1.6
241.19464	28.2
243.21049	1.6
257.18991	3.3
259.20529	56.1
261.22058	2.5
275.19885	1.7
279.15811	14.7
281.17395	63.8
282.17776	1.5
297.16864	1.7
311.23819	2.1
313.21603	2.1
315.23193	8.2
331.22815	1.5
333.24213	39.6
335.23663	1.3
339.23038	2.0
353.24487	2.2
401.28323	1.5
408.33612	1.3
429.31451	1.7
437.34100	4.2
447.32373	14.2
465.33649	9.5
483.34473	7.3
521.36047	6.7
527.37518	2.2
528.37708	6.3
529.38568	4.9
539.37231	85.1
540.37463	4.1
557.38287	36.1
683.41028	1.8
701.42499	6.4
719.43414	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03116	1.4
53.03938	11.2
55.01621	1.2
55.01865	17.3
55.05504	48.5
56.05825	1.6
57.03429	14.5
57.07061	2.3
59.04983	3.2
61.02906	2.9
65.03922	4.9
67.05493	86.3
68.05818	4.2
69.03069	2.1
69.03417	36.2
69.07057	34.1
71.01344	3.0
71.04986	13.5
71.08625	1.5
71.62867	1.9
73.02883	1.7
77.03870	1.7
79.05482	67.7
81.03406	100.0
81.07046	67.7
82.03719	1.7
82.07388	1.6
82.63571	1.1
83.01329	2.3
83.04971	24.8
83.08604	30.4
84.08909	1.1
85.02895	22.5
85.06532	5.2
87.04470	1.8
89.06026	1.7
91.03931	1.7
91.05466	62.4
92.05788	2.9
93.07030	61.1
94.07362	1.9
95.01320	1.7
95.04950	32.6
95.08595	34.8
96.05279	1.1
96.08852	2.0
97.02885	25.2
97.06512	15.6
97.10152	21.0
99.04440	8.0
99.08068	3.2
101.02422	1.3
103.05464	3.2
105.03396	1.1
105.07012	47.8
106.07349	1.2
107.04935	19.4
107.08578	40.9
109.02872	22.2
109.06495	12.6
109.10143	36.3
109.10898	1.6
110.10473	3.8
111.04432	17.4
111.08061	11.2
113.03368	1.1
115.05448	3.4
116.06259	1.9
117.07001	23.2
119.08568	38.3
120.08926	2.0
121.02859	1.4
121.06489	10.9
121.10126	23.1
122.10456	1.5
123.04425	4.0
123.08039	11.7
123.11700	4.1
125.05982	2.4
125.09613	20.4
127.03897	16.0
127.07532	1.3
128.06212	4.1
129.05505	2.9
129.06989	15.5
130.07765	1.9
131.04921	3.7
131.08546	30.4
132.08900	1.3
133.06454	9.4
133.08638	1.4
133.10114	23.6
135.04361	1.8
135.08041	12.0
135.11679	15.3
137.05957	2.0
137.09592	7.3
139.11124	1.6
141.07013	4.4
142.07747	3.6
143.08542	12.2
145.04895	1.5
145.06483	4.3
145.10101	24.2
146.07149	1.2
147.04384	2.0
147.08037	11.0
147.11662	19.2
149.09602	11.9
149.13261	5.1
151.07529	1.5
151.11192	3.3
153.09091	3.5
153.12769	3.5
154.07693	1.6
155.08568	5.6
157.06506	2.5
157.10120	15.3
159.08072	3.3
159.11632	10.9
161.05949	1.8
161.09642	6.0
161.13254	3.5
163.11165	16.3
165.05519	1.9
165.09155	2.6
165.12752	3.8
167.08563	2.2
169.10156	5.5
171.08069	2.0
171.10342	1.5
171.11700	5.2
173.04431	11.3
173.05687	1.4
173.09589	6.5
173.11708	3.4
173.13304	4.0
175.07570	2.0
175.11160	9.0
177.12733	3.8
179.10786	1.3
181.10165	3.9
181.12260	5.6
183.06508	1.5
183.11691	5.3
184.07343	3.7
185.09608	2.9
185.13300	3.9
187.11212	4.3
187.14812	2.8
189.09657	1.9
189.11227	9.1
189.12674	2.0
191.10733	4.0
193.04897	1.5
193.10333	2.3
193.12198	20.0
195.11711	3.3
195.13792	1.4
197.09616	1.7
197.13263	2.0
199.11211	2.6
199.14912	1.8
199.16876	2.2
201.12756	2.8
203.14223	1.4
205.12195	3.2
207.13741	1.3
209.09778	1.4
209.11700	3.2
211.11288	2.7
211.13205	28.1
213.12782	1.7
219.13737	2.1
223.13202	8.7
227.12715	23.7
229.12251	2.2
229.14267	13.5
229.19539	1.3
230.14745	5.7
233.15404	2.7
235.13120	1.9
239.17992	2.4
247.13435	2.0
247.20689	1.5
249.14809	2.6
255.17664	1.7
257.19061	5.1
263.20190	2.1
265.14264	1.5
267.15851	10.1
269.17532	3.6
270.17807	2.1
273.15222	2.3
273.18427	19.2
275.20050	27.2
276.20343	2.9
283.15326	10.8
285.16727	2.8
291.19485	55.5
292.19928	1.7
301.14325	1.5
304.26227	1.2
311.19879	1.5
313.21542	2.9
329.21304	1.3
331.22610	1.5
337.16257	1.5
341.21008	1.5
347.22211	6.2
349.23795	10.0
350.23956	1.7
353.21085	1.8
355.17575	5.2
365.23291	7.2
371.22333	1.5
401.23053	1.8
409.25824	2.6
410.25885	2.5
411.20078	5.3
423.27686	6.1
424.27747	14.7
427.19778	5.9
429.20972	1.7
430.12903	2.1
435.23871	1.9
445.25711	2.7
455.26395	1.6
465.29950	1.7
473.25183	1.5
477.28345	1.7
483.31094	1.8
503.33597	1.6
504.33923	4.4
528.37579	8.5
529.35254	3.0
539.33563	12.6
557.34607	31.0
558.34723	2.7
575.35748	8.7
578.37311	1.9
599.35657	2.0
621.32483	2.6
653.35889	1.8
665.36646	2.4
683.37799	6.8
701.38757	22.2
701.49945	2.1
702.39459	1.9
719.39832	75.6
720.39960	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	718.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.05020	0.6
57.03419	0.2
57.07041	0.2
58.06608	0.6
60.08154	5.5
67.05495	0.8
68.11040	0.1
69.07039	0.4
70.06564	0.1
71.07363	2.5
71.08614	0.1
71.62841	0.2
71.63203	0.2
79.05487	0.6
81.03407	0.4
81.07041	0.8
83.08598	0.3
85.02876	0.2
86.09689	29.2
87.10003	0.3
91.05454	0.7
93.07030	0.7
95.04934	0.3
95.08592	0.8
97.02896	0.1
97.06490	0.2
97.10166	0.2
98.98441	2.2
99.08096	0.1
104.10715	2.2
105.07013	0.5
107.08566	0.4
109.10125	0.4
117.06982	0.2
119.08551	0.4
121.10117	0.3
123.08009	0.2
123.11610	0.1
124.99980	18.9
128.09210	0.1
131.08513	0.3
133.10132	0.2
143.01027	0.5
143.08621	0.2
145.10110	0.2
147.11633	0.3
149.13295	0.1
157.10118	0.2
159.11682	0.2
184.07304	100.0
185.07634	1.5
202.04533	0.1
249.85513	0.1
256.52982	0.1
275.20032	0.1
325.37952	0.1
406.56732	0.1
468.23621	0.2
718.46405	7.5
719.47070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36223	0.1
56.05024	0.6
57.07066	0.2
58.06607	0.6
59.07372	0.2
60.08156	6.6
60.08466	0.3
65.03925	0.1
67.05474	0.4
69.07058	0.2
70.06592	0.2
71.07363	3.1
79.05461	0.2
81.07047	0.7
83.04976	0.2
83.08591	0.2
86.09692	30.8
87.10008	0.3
91.05463	0.4
93.07030	0.3
95.04929	0.3
95.08585	0.5
98.21496	0.4
98.98441	2.9
104.10722	2.8
105.06994	0.4
107.08577	0.4
109.06503	0.2
109.10134	0.2
109.77493	0.1
111.08136	0.1
118.61671	0.1
119.08570	0.3
121.10092	0.2
122.28879	0.1
124.99986	21.0
131.08484	0.2
135.11679	0.1
143.01009	0.4
147.11584	0.3
166.02643	0.3
184.07309	100.0
185.07683	1.1
267.15994	0.1
285.17017	0.2
311.25974	0.2
374.07614	0.1
496.33817	0.1
521.38098	0.2
586.82037	0.1
598.30157	0.1
718.46472	9.8
719.46832	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
55.01853	2.4
55.05503	8.7
57.03425	9.3
57.07069	28.4
61.54637	1.1
62.70475	0.9
67.05492	15.6
69.03439	1.1
69.07071	9.2
71.04987	2.0
71.08625	23.2
73.02882	1.4
77.24249	0.9
79.05484	16.1
81.07050	18.5
83.04968	2.3
83.08607	14.5
85.02881	1.4
85.06538	1.1
85.10170	14.5
86.09685	5.1
87.91178	1.0
89.06017	5.0
91.05462	5.5
93.07034	25.6
95.04960	5.8
95.08597	42.9
97.02881	4.0
97.06506	3.0
97.10178	5.0
98.21500	3.2
99.04430	4.0
103.07523	1.3
105.07044	5.5
105.07658	0.9
107.04956	5.5
107.08587	22.7
107.89190	1.0
109.06532	1.4
109.10134	8.7
111.08130	1.2
111.11728	1.1
117.07011	5.6
119.08551	6.2
121.06481	4.1
121.10142	8.7
123.11681	2.9
124.99984	2.7
125.05984	2.5
128.27667	0.9
130.07732	1.3
133.10118	2.6
135.11676	40.3
137.13286	2.2
145.10110	22.2
149.13373	1.2
155.08522	1.4
163.11165	55.9
179.73817	1.2
181.12234	9.5
184.07330	16.9
225.13873	1.8
227.12753	56.4
228.13087	1.9
237.13737	1.2
239.23605	2.7
251.08180	1.5
257.24783	1.5
283.15363	95.4
284.15598	2.1
313.27328	100.0
314.27670	4.6
380.56781	1.2
417.17078	2.1
418.17868	1.7
418.28091	1.0
431.18848	1.4
432.19046	1.8
433.20291	1.9
447.21704	6.3
460.18735	1.3
475.21283	17.9
476.21927	3.3
503.20602	2.7
519.24030	1.2
521.38354	94.0
522.38556	7.3
526.93201	1.3
535.23395	9.7
547.23114	2.0
549.25024	1.3
549.99261	1.1
561.24835	3.2
562.25983	2.7
563.26764	2.5
584.87061	1.2
621.27075	3.5
622.27771	60.7
718.45599	2.2
719.33966	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	718.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.5
53.03934	4.5
55.01865	6.8
55.05248	1.8
55.05500	20.8
57.03431	14.2
57.07059	3.2
59.04976	3.5
61.02913	6.8
65.03930	4.0
67.05493	100.0
68.05825	1.8
69.03416	11.8
69.07053	22.5
70.52713	4.0
71.04979	8.1
71.07403	1.0
71.08611	1.4
73.02895	3.9
77.62690	1.1
79.05478	36.2
81.03409	12.7
81.07043	50.9
83.04965	10.0
83.08601	12.2
85.02889	11.2
85.06515	3.2
86.09668	3.1
91.03935	3.3
91.05466	39.2
93.07030	41.0
93.10279	1.0
94.07854	1.4
95.04945	13.7
95.08589	29.6
97.02876	8.4
97.06520	11.2
97.10148	5.8
99.04401	1.9
99.08056	3.8
105.07017	29.2
107.04945	7.3
107.08577	24.6
109.02863	3.9
109.06486	4.6
109.10139	69.4
111.04422	1.9
111.08069	7.4
113.09573	1.4
115.03918	1.2
115.05444	1.6
116.04696	1.8
116.79222	1.1
117.06998	12.2
119.08559	26.6
121.06473	4.0
121.10124	13.8
123.04420	1.2
123.08061	4.4
123.11710	1.6
124.99969	3.7
125.09616	5.0
127.03865	5.2
129.05463	6.1
129.06964	6.3
131.08549	16.6
133.06430	1.3
133.10101	15.2
135.08057	5.5
135.11697	8.9
137.09619	4.3
137.13220	1.3
141.06912	2.1
143.08566	5.4
145.04913	2.1
145.10107	13.4
147.07996	2.9
147.11655	14.2
149.09569	7.6
149.13248	6.4
151.11128	2.3
155.08585	2.7
155.10585	1.7
157.10110	3.7
159.11684	9.1
161.09563	2.6
161.13208	7.0
163.11159	4.6
163.14781	1.6
165.12787	1.4
169.10126	2.9
171.08220	1.1
171.11678	6.7
173.04510	1.7
173.09552	1.3
173.11713	20.0
173.13255	6.7
175.11159	1.7
177.12746	3.0
179.14279	2.3
181.10161	1.3
183.11700	3.8
184.07298	13.3
185.13222	4.4
187.11150	1.8
187.14845	1.8
189.11166	2.2
189.12692	1.8
195.11792	1.2
195.13721	3.0
197.11600	1.2
197.13289	2.4
199.13159	1.3
199.14861	2.1
203.14259	1.1
207.13805	4.7
211.14899	1.7
227.12718	5.5
229.14291	51.2
239.18030	1.4
241.12170	1.2
241.19424	3.1
245.13931	1.6
257.18918	4.4
259.20508	6.1
267.15881	1.3
269.17365	9.9
271.20505	1.4
275.20020	20.0
281.17377	7.6
291.19446	1.6
331.22659	1.7
333.24084	3.9
349.23697	10.9
383.24390	1.5
383.29388	2.9
388.25763	1.3
401.30661	2.4
406.27057	11.9
423.27359	38.9
424.27890	3.1
427.19482	1.4
435.27319	17.2
475.34070	7.9
487.34332	2.5
493.34872	2.0
503.33707	10.6
505.34879	4.0
519.32306	1.5
538.35773	3.1
556.36646	4.0
559.36395	2.6
577.37042	2.5
701.38519	3.0
716.18274	1.5
718.43207	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
53.04130	0.7
55.01864	8.0
55.05256	1.4
55.05497	17.7
56.05842	0.8
57.03423	14.9
57.07064	2.2
57.56021	0.7
59.04981	3.2
60.08113	0.8
61.02913	5.3
65.03909	2.2
67.05489	100.0
68.05810	2.1
69.03406	9.2
69.07052	20.6
70.82549	2.6
71.01337	0.8
71.04979	5.9
71.08608	2.1
73.02892	1.9
79.05477	35.5
79.29154	0.7
80.05799	2.5
81.03402	17.1
81.07038	52.4
82.07375	1.7
83.04964	9.1
83.08604	11.6
85.02879	8.5
85.06530	3.8
86.09685	2.0
91.03920	1.3
91.05462	39.1
92.05785	2.7
93.07021	39.7
94.07323	2.3
95.01300	1.6
95.04943	12.8
95.08583	23.4
96.08924	1.5
97.02866	6.9
97.06510	11.6
97.10146	4.7
98.06015	1.3
99.04424	2.2
99.08075	3.9
103.05434	0.9
105.04486	0.9
105.07008	33.3
106.07343	3.1
107.04945	5.7
107.08566	19.8
108.05240	1.5
109.02857	3.7
109.06486	4.2
109.10133	63.4
110.10424	1.6
111.04428	1.9
111.08047	6.0
115.05430	1.3
117.06998	11.9
119.08560	29.3
120.08916	2.3
121.06487	4.2
121.10111	11.8
122.10452	1.1
123.04398	1.1
123.08028	4.1
123.11686	1.9
124.99965	1.3
125.09588	2.7
127.03890	4.2
127.11143	1.1
128.06232	1.5
129.05434	3.3
129.06964	7.0
130.07703	1.0
131.08537	16.6
132.08832	1.4
133.06477	1.9
133.10103	21.3
134.10432	2.3
135.07988	3.9
135.11647	9.5
137.09549	5.7
139.07555	0.8
139.11147	0.8
141.06950	2.0
143.08539	5.6
145.06424	2.5
145.10089	12.4
146.10385	1.8
147.08009	1.5
147.11649	15.3
148.11966	1.7
149.09596	6.7
149.13216	5.7
151.11165	2.2
153.08998	0.9
155.08501	2.5
155.10648	2.1
157.10120	4.9
159.07988	1.4
159.11653	10.9
160.12051	1.0
161.09567	1.6
161.13229	8.9
162.13455	1.5
163.11133	5.4
163.14806	1.2
165.09181	1.0
169.10080	2.7
171.08090	0.9
171.11661	6.4
172.11969	1.5
173.04422	2.4
173.09547	1.3
173.10100	1.3
173.11693	21.5
173.13231	5.3
175.11168	1.4
175.14798	2.2
177.12703	3.6
179.14243	3.5
183.11658	1.9
184.07288	6.6
185.13184	3.1
187.11122	1.1
187.14723	0.9
189.11171	1.7
189.12709	2.2
191.14342	0.9
193.12239	1.2
195.11841	0.8
195.13786	2.5
197.13199	1.9
198.41949	0.8
199.14771	2.2
201.12650	1.3
201.16394	1.0
207.13773	2.6
219.13751	1.4
226.91635	1.0
227.12708	6.3
229.14299	54.2
231.20882	1.1
239.17906	1.6
241.19441	5.5
247.20535	1.1
255.15941	1.4
257.18912	4.3
259.20505	14.2
260.20944	1.0
261.14792	0.9
269.17447	8.0
275.19989	19.6
276.20343	7.2
277.21454	1.2
279.15707	1.1
281.17325	4.3
282.17734	1.3
283.15280	1.4
293.20963	0.9
297.17014	1.0
331.22324	0.9
333.24219	10.4
349.23663	9.6
350.23993	4.3
383.28851	1.0
406.26923	1.0
409.25562	1.3
423.27319	28.8
424.27600	1.6
425.22055	0.9
426.22031	1.2
435.27686	4.8
475.33832	1.2
487.33997	7.5
503.33609	5.4
505.35141	10.4
555.36273	1.4
556.36993	7.8
557.35199	1.3
559.36047	2.5
577.36987	1.4
636.39868	1.0
700.40509	2.8
718.42236	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44600	0.5
53.03939	2.4
55.01865	4.2
55.05500	15.0
57.03426	10.3
57.07069	1.8
59.04996	4.1
60.08138	0.6
61.02920	4.5
65.03920	2.5
67.05492	100.0
68.05837	0.6
69.03414	5.7
69.07055	16.8
69.42503	4.0
69.42921	1.1
71.04984	6.5
73.02905	1.6
75.28992	0.5
79.05480	27.4
81.03401	8.2
81.07044	37.9
82.07362	0.7
83.04972	5.9
83.08602	13.2
85.02889	5.4
85.06525	4.0
86.09700	1.2
87.04446	0.6
91.03940	1.4
91.05462	21.6
93.07027	25.4
95.04959	5.5
95.08591	18.3
95.09217	0.8
96.08961	0.5
97.02875	5.3
97.06513	8.2
97.10152	7.2
99.04436	1.6
99.08084	2.7
101.62424	0.5
103.03920	0.7
103.05433	0.7
105.04513	0.6
105.06297	0.6
105.07013	16.1
107.04942	4.7
107.08577	18.4
109.02855	1.5
109.06490	3.1
109.10137	76.2
110.10457	1.1
111.04436	0.7
111.08061	4.8
113.06005	0.6
113.09615	0.8
115.05371	1.1
117.06998	8.0
119.08561	16.5
119.09435	0.9
121.06498	3.5
121.09291	0.9
121.10117	9.2
123.08044	2.2
123.11693	2.0
125.00020	1.1
125.09607	5.7
126.92982	0.5
127.03869	2.4
128.06203	0.7
129.05469	1.4
129.06967	3.6
130.07813	0.6
131.08554	10.1
132.08894	0.9
133.06479	0.8
133.10110	11.2
133.33972	0.5
135.08073	3.5
135.11685	6.8
137.09592	5.1
139.11090	0.8
141.06982	0.9
141.08128	0.5
143.08533	2.4
145.06470	0.7
145.10097	8.9
147.08035	0.7
147.11674	5.8
149.09616	8.5
149.13234	5.2
151.11139	2.1
155.08499	1.3
155.10544	3.3
156.09264	0.6
157.10069	2.4
159.08087	0.6
159.11649	7.5
161.09575	1.3
161.13206	2.4
163.11124	5.6
165.12630	0.7
169.10065	1.7
171.11659	2.0
173.04396	1.5
173.11729	20.4
173.13196	2.8
175.11153	1.1
177.12675	2.4
179.14296	1.4
181.12167	1.1
183.11671	1.2
184.07317	3.6
185.13338	0.9
187.11182	1.0
187.14809	1.0
189.11185	3.0
193.12131	1.0
195.13748	2.7
197.13242	1.1
210.28883	0.6
211.13103	0.8
227.12749	13.1
229.14314	67.7
229.19284	1.6
230.14709	1.2
239.17972	1.8
247.20558	1.7
255.15823	3.6
257.18912	6.4
259.20447	1.3
267.15781	1.0
269.17453	11.5
275.20004	19.5
276.20203	0.7
279.16068	0.6
293.17545	0.7
293.20889	1.9
325.19974	1.4
331.22574	2.1
349.23672	21.1
358.30405	0.6
367.24582	1.3
379.46295	0.6
383.24094	1.2
398.87671	0.6
399.23685	4.2
407.28140	1.2
407.65143	0.6
409.20236	0.8
409.25748	16.7
411.28903	0.6
413.21671	1.4
423.27347	60.3
424.27332	1.9
447.26794	0.7
463.30115	1.7
485.32440	1.5
503.33618	33.6
504.33762	1.3
521.34766	5.7
543.27435	1.0
557.34637	0.8
559.35895	0.6
567.31616	2.6
577.36804	1.0
644.37781	0.6
665.38489	1.0
689.47253	0.7
700.37848	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.3
55.01860	13.2
55.05498	34.7
57.03181	1.2
57.03426	14.0
57.07049	2.4
59.04972	2.0
60.08130	1.7
60.26778	1.1
61.02890	3.3
65.03921	6.3
67.05488	93.0
68.05808	2.1
69.03414	28.3
69.07050	32.7
71.01300	1.2
71.04974	14.9
71.08594	1.5
73.02894	3.1
73.06530	2.7
77.03907	3.1
79.05476	100.0
80.05801	2.0
81.03400	69.0
81.07039	95.6
82.07371	1.6
82.84113	1.1
83.04482	1.1
83.04961	21.4
83.08603	17.2
85.02409	1.5
85.02887	17.0
85.06527	5.6
86.09675	4.8
87.09991	1.1
91.05460	98.9
92.05798	2.3
93.07020	87.3
94.07359	1.7
95.04369	1.2
95.04953	29.5
95.08582	54.2
97.02858	15.6
97.06506	15.0
97.10145	8.2
99.04440	7.9
99.08060	2.7
101.02340	1.6
103.03919	2.3
103.05442	4.2
105.04509	3.5
105.07008	75.3
106.07315	2.7
107.04258	1.9
107.04933	20.1
107.08572	47.8
109.02856	13.1
109.06499	15.5
109.10138	28.3
110.10474	2.0
111.04452	6.5
111.08065	6.7
115.05431	5.7
116.92001	1.0
117.03866	1.0
117.06993	35.8
119.04916	1.7
119.08553	58.5
120.08858	1.1
121.06493	11.6
121.10108	21.2
123.04373	2.6
123.08041	10.2
123.11674	5.8
124.99938	4.0
125.08740	1.2
125.09544	5.7
127.03874	15.4
127.07549	1.6
128.06161	6.8
129.05434	2.6
129.06982	28.5
130.07727	3.2
131.04855	2.7
131.08549	34.9
132.08855	1.3
133.06458	6.3
133.10103	30.4
134.10400	1.1
135.04442	1.5
135.08037	8.4
135.11674	10.5
137.05997	1.1
137.09552	4.8
141.06969	8.2
142.07701	3.3
143.08530	21.5
145.06436	7.6
145.10100	34.4
147.08018	7.9
147.11655	41.0
148.11905	2.5
149.09572	14.1
149.13245	6.2
151.07443	1.3
151.11177	5.3
153.06891	1.7
153.09068	1.6
155.08504	9.2
156.09305	1.3
157.06444	3.3
157.10094	11.4
159.07986	3.8
159.11656	19.3
161.09627	8.2
161.13214	14.9
162.39117	1.1
163.11127	8.5
165.06970	2.3
165.09077	1.9
165.12680	2.2
167.08511	2.7
168.09328	1.5
169.10109	10.8
171.08051	2.7
171.10266	1.2
171.11638	28.3
173.04425	30.1
173.05794	1.4
173.09599	5.4
173.11790	1.5
173.13167	9.1
175.11159	3.0
175.14742	2.3
177.09155	1.3
177.12712	4.9
179.08513	2.9
179.14264	3.8
181.10057	3.6
183.06503	1.2
183.08023	2.2
183.11731	6.6
184.07286	21.1
185.07625	2.8
185.09564	3.9
185.13219	5.5
187.11116	3.5
187.14731	3.1
189.11214	2.0
189.12712	10.0
191.14230	2.7
193.10110	1.4
193.12152	1.7
195.11609	3.5
195.13652	1.3
197.09590	1.8
197.13167	4.1
199.05980	2.4
199.11104	2.2
199.14809	1.4
201.12691	2.6
203.10634	1.2
203.14278	1.5
205.12131	2.4
207.11856	2.4
207.13760	24.7
209.13127	1.8
211.11082	1.5
211.14812	2.3
213.12735	1.8
213.16270	1.7
215.17879	1.6
219.13710	2.1
221.13173	1.5
223.14790	1.8
225.12843	1.5
225.14732	2.4
227.12648	4.2
229.12296	1.5
229.14247	5.6
229.19489	3.7
233.15302	1.7
239.14214	1.2
239.17802	6.0
241.10612	2.0
241.15958	1.5
247.20462	6.8
249.14850	1.5
253.14124	2.8
254.14636	2.4
255.13583	1.2
255.17485	1.5
257.15213	1.2
257.15964	1.2
257.18985	17.3
259.17017	1.4
259.20529	3.3
263.16397	1.9
267.15814	1.6
269.15128	1.9
271.16840	1.3
273.14926	1.4
273.18323	3.8
275.19995	63.1
276.20313	2.3
279.15793	3.2
281.17410	48.0
282.17737	1.5
287.16357	5.1
291.19476	1.6
293.20999	4.8
299.19931	2.3
303.19312	1.2
309.16815	1.2
313.21561	1.9
323.20020	1.3
331.22412	5.1
333.38150	1.2
341.20956	1.8
349.23666	24.3
351.17804	1.2
355.22589	1.9
365.21283	2.1
383.21982	5.1
389.19489	1.7
401.23068	3.2
407.20447	2.2
419.24094	5.1
425.21475	3.9
435.27219	3.1
463.31720	1.6
475.30887	6.5
481.32947	3.0
493.27798	4.6
520.33136	2.5
527.37360	5.5
537.35651	8.8
555.36731	58.8
556.37061	6.2
559.36780	1.2
573.37585	4.4
597.37006	2.7
609.37714	2.0
619.34644	7.2
635.39105	2.6
639.38824	1.7
645.37048	1.6
663.38391	2.5
681.39410	4.7
699.40985	10.4
717.41840	21.3
718.41736	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.8
53.03936	6.7
55.01614	1.5
55.01865	19.9
55.05503	20.6
57.03226	0.8
57.03431	9.6
57.07073	1.7
59.05001	1.1
65.03924	4.4
67.05494	55.8
69.03415	16.2
69.07058	32.9
69.35877	9.9
71.04985	6.7
72.26513	1.0
77.03888	1.0
79.05482	55.9
81.03408	37.9
81.07045	70.6
83.04974	17.0
83.08606	11.2
85.02894	9.7
85.06535	3.1
86.09707	2.1
89.27246	0.8
91.05466	78.1
93.07030	57.2
94.07387	1.1
95.01325	8.1
95.04957	23.6
95.08591	42.7
97.02872	7.5
97.06516	36.4
97.10165	4.7
99.04446	4.1
99.08092	1.5
101.02342	1.1
103.05455	4.0
105.04548	2.1
105.07015	100.0
106.07375	1.1
107.04940	26.6
107.08576	26.7
109.02882	4.5
109.06499	8.9
109.10133	9.3
111.04450	1.6
111.08060	2.9
113.09671	1.3
115.05415	4.8
116.06199	1.0
117.06999	27.2
119.04922	1.8
119.08563	50.6
121.06477	7.2
121.10126	12.2
123.04418	4.4
123.08047	7.4
123.11663	2.4
125.06036	1.1
125.09567	2.2
127.03900	4.5
128.06216	6.1
129.05478	2.1
129.06990	17.1
130.07756	1.9
131.04909	3.6
131.08553	33.3
133.06487	5.5
133.10114	47.7
134.10423	1.1
135.04349	1.2
135.08020	6.3
135.11661	9.2
137.05925	1.2
137.09596	3.7
139.07510	1.5
141.06989	5.7
142.07779	1.7
143.08545	12.5
144.09212	1.1
145.06462	8.6
145.10109	22.8
146.10431	0.9
147.08038	3.9
147.11658	22.7
149.09598	9.1
149.13251	3.8
151.07539	1.0
151.11145	2.3
153.06963	1.2
154.07730	1.1
155.08521	5.0
155.10703	0.9
157.06451	2.2
157.10092	8.1
159.08052	4.5
159.11656	14.2
161.09589	4.0
161.13231	10.7
163.11176	6.3
165.09079	3.5
167.08554	3.4
169.10056	7.0
171.08069	4.6
171.11646	12.4
173.04436	8.8
173.09663	1.7
173.13246	6.2
175.11128	1.8
175.14867	1.3
177.12730	5.2
179.08647	1.1
179.10629	1.5
179.14278	18.1
181.10135	2.3
183.08002	1.3
183.11685	2.9
184.07353	4.5
185.09586	2.4
185.13257	3.5
187.11166	5.9
187.14720	1.8
189.12732	5.1
191.14243	1.7
195.11861	1.3
195.13776	2.3
197.13254	5.0
199.11183	1.8
199.14781	1.4
205.12247	1.7
207.11977	1.6
207.13760	7.6
209.13295	1.5
211.14981	1.3
213.12727	1.0
219.13727	1.2
219.17435	1.0
223.14822	2.2
225.12793	1.1
225.14819	1.9
227.14316	1.7
229.19417	2.3
233.15315	1.3
239.17918	2.1
241.15881	3.6
245.15460	1.1
247.20544	3.4
251.14284	2.8
253.00386	0.9
257.15424	0.9
257.16333	0.9
257.18970	8.2
259.16846	2.8
259.20584	2.2
263.16467	1.6
269.15417	6.2
269.18143	0.9
273.80530	1.0
275.20026	93.5
276.20352	4.6
279.15897	9.2
281.17450	9.1
287.16431	9.3
293.21069	3.4
295.18976	1.0
305.17636	1.1
305.26282	1.2
315.16132	1.1
333.16983	3.2
333.20703	1.1
343.18970	2.5
349.23697	35.9
350.24146	1.2
351.17993	2.5
361.20035	3.7
377.23392	2.1
379.21243	1.4
389.19427	1.1
407.20474	5.7
419.24100	1.1
425.21640	17.4
537.35425	4.9
555.36737	61.1
556.37079	4.6
569.37891	2.9
597.37585	1.6
606.69763	1.0
607.39117	1.5
635.39349	7.5
653.39856	1.9
663.38751	2.4
681.39813	2.3
682.39886	1.0
699.40912	19.3
700.40668	2.1
717.42609	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	716.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	0.6
56.05021	0.7
57.07064	0.5
58.06342	0.2
58.06612	0.5
60.08152	6.8
65.45451	0.2
67.05495	0.9
69.07054	0.5
69.57612	1.5
71.07354	3.1
72.37106	0.2
74.09698	0.2
79.05482	0.6
81.07057	1.1
83.08601	0.4
86.09690	31.6
87.10045	0.4
89.05996	0.2
91.05478	0.7
93.07037	0.9
95.04990	0.4
95.08587	0.8
98.98449	2.7
99.04465	0.3
104.10722	3.1
105.07030	0.7
107.08584	0.8
109.10149	0.7
111.08077	0.2
113.92895	0.2
119.08556	0.6
121.10108	0.6
124.99979	19.3
125.09560	0.2
131.08566	0.3
133.08595	0.2
133.10092	0.4
135.11646	0.3
135.19760	0.2
143.01057	0.2
145.10086	0.3
147.11684	0.2
149.13203	0.3
159.11737	0.2
161.13327	0.2
164.69392	0.2
166.02612	0.2
184.07307	100.0
185.07622	1.3
211.24303	0.2
448.33075	0.2
519.40594	0.5
716.48474	10.1
717.49225	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.05497	9.3
57.03430	6.4
57.07061	21.2
57.88198	1.3
60.76502	1.3
61.66961	1.2
65.03941	1.3
67.05495	21.3
69.07059	10.7
69.07379	2.0
71.04967	1.3
71.08624	13.1
71.45287	3.1
73.06523	1.4
79.05048	2.3
79.05480	31.0
81.03387	3.3
81.07043	26.3
83.04981	7.2
83.08604	9.0
85.02892	2.1
85.06550	3.1
85.10170	9.3
86.09667	4.2
89.05997	2.3
91.05469	22.0
92.05799	1.9
93.07027	37.5
95.04953	10.6
95.08591	22.5
96.50797	1.2
97.06541	2.2
97.10157	4.4
105.07016	18.9
107.04934	1.5
107.08598	8.9
109.06492	2.5
109.10148	8.9
111.08059	1.8
113.51851	1.2
117.06976	4.0
119.08566	11.1
121.06464	1.6
121.10123	2.3
121.86085	1.2
123.08034	3.6
124.99975	2.6
129.06992	7.3
131.08510	1.6
133.08560	1.9
133.10086	7.2
135.11661	2.4
143.08534	4.6
145.10109	4.7
147.11655	18.8
161.09567	1.5
161.13206	4.3
171.11641	12.5
184.07310	11.9
189.12709	4.7
207.13770	17.1
257.24680	2.0
281.17441	47.8
282.17868	2.3
313.27304	41.3
498.83432	1.3
519.40369	100.0
520.40594	7.3
535.98828	1.5
575.49164	2.7
590.96899	1.5
671.92523	1.6
698.86951	1.4
716.49127	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36457	0.1
50.95512	0.2
53.03941	0.7
55.01862	0.3
55.05500	0.4
55.57714	0.1
57.03437	0.3
59.04985	0.2
65.03938	0.4
65.67977	0.1
66.45075	0.2
67.01858	0.3
67.05492	1.2
69.03415	0.9
69.07056	0.3
69.97466	0.6
71.04976	0.6
79.05473	0.4
81.03400	7.3
81.07047	0.7
83.08594	0.4
85.02863	0.7
91.05461	3.7
93.07041	0.6
95.04965	0.5
95.08594	0.5
97.02875	1.7
97.06505	0.2
97.10145	0.1
99.04436	7.9
103.03915	0.9
105.03374	0.3
105.07003	0.4
107.04910	0.2
107.08556	0.5
109.02856	14.7
109.06501	0.2
109.10128	1.1
110.03159	0.2
111.08060	0.2
115.03919	0.3
117.06999	0.2
119.04919	11.5
119.08574	0.5
121.02835	0.1
121.06455	0.3
121.10115	0.5
123.04430	0.3
123.11625	0.2
127.03892	29.1
128.04233	0.5
131.08530	0.2
133.06500	0.2
133.10114	0.4
135.07999	0.2
137.09608	0.3
139.03885	0.4
140.97630	0.1
145.02814	0.3
145.04921	3.2
145.10081	0.2
147.04378	100.0
148.04715	2.0
151.03864	0.2
159.11639	0.2
163.11002	0.1
165.05492	0.1
165.09102	0.2
167.06860	0.2
169.04933	15.4
170.05231	0.2
171.08147	0.2
173.11644	0.2
175.11000	0.2
177.05452	0.7
178.05757	0.2
181.04950	0.2
184.07445	0.2
187.05980	7.2
187.07648	0.4
193.12083	0.3
227.12686	0.1
229.07025	12.0
230.07268	0.2
255.06505	1.3
267.67233	0.2
273.07510	6.1
274.07681	0.2
289.09052	1.5
315.08548	15.3
316.08838	0.5
351.10703	0.3
393.11716	6.2
394.11929	0.2
421.25824	1.7
443.90793	0.1
525.30579	1.4
616.27777	0.2
716.34564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.55
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
53.03948	0.8
55.05263	0.4
55.05505	5.6
56.04780	0.3
56.05038	4.6
57.06811	0.4
57.07068	3.6
58.06579	0.8
60.04519	2.6
61.02903	0.3
65.03920	0.8
67.05496	12.2
68.05006	1.1
69.03411	1.2
69.07059	8.4
69.15541	0.3
70.06590	2.0
70.21751	1.0
71.08623	1.9
79.05481	10.6
80.04999	3.2
81.03400	0.8
81.05788	1.4
81.07047	11.8
82.06110	0.5
82.06570	7.6
83.04952	0.3
83.08613	5.3
85.02869	2.2
85.10159	0.9
85.81024	0.3
91.05466	8.6
93.05750	0.3
93.07036	10.6
94.06554	18.2
95.04942	1.4
95.07336	8.6
95.08598	8.5
96.07537	0.5
96.08115	6.0
97.02882	0.9
97.06515	0.4
97.10162	2.5
98.06033	0.4
105.07018	6.1
106.06580	0.4
106.94832	0.3
107.07387	0.4
107.08577	4.8
108.08110	3.8
109.10134	3.3
110.02097	0.3
110.09655	0.6
111.11696	1.1
117.06965	0.4
119.08572	5.8
121.08889	0.5
121.10126	6.1
122.09666	2.6
123.11692	1.0
124.11215	0.6
127.03904	0.3
131.08549	0.5
133.10121	3.3
135.10588	0.5
135.11668	3.7
136.11185	0.6
137.13190	0.6
145.04893	0.3
147.11681	1.6
149.12151	0.4
149.13275	1.0
151.19966	0.3
161.13219	1.3
163.14761	0.7
165.16406	0.4
182.18925	0.4
184.07312	0.7
193.19525	1.0
196.20364	0.4
219.21123	0.4
233.22636	3.5
234.22154	0.7
245.22607	4.2
250.25259	8.2
254.24672	0.9
262.25266	100.0
263.25867	1.9
264.26840	0.5
272.25772	5.4
278.67572	0.3
280.26303	7.4
282.27792	0.6
304.26251	0.7
310.27454	0.3
312.25177	0.4
326.84134	0.3
353.71899	0.3
442.31488	0.7
504.47656	5.7
516.47699	36.5
517.47852	1.1
518.49304	5.9
534.48737	23.8
535.49072	0.7
696.42688	0.4
696.53918	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.05254	0.5
55.05500	6.1
55.28729	0.3
56.05032	4.7
57.03400	0.5
57.06811	0.4
57.07065	4.1
58.06570	1.3
60.04508	2.3
61.02908	0.5
65.03914	0.7
67.05490	13.3
68.05008	1.5
69.03396	1.1
69.07056	8.2
70.06586	2.0
71.04952	0.4
71.08600	1.5
72.04491	0.4
79.05481	10.1
80.05000	3.1
81.03385	0.9
81.05785	1.1
81.06572	0.6
81.07044	11.5
82.06108	0.6
82.06561	7.1
83.04968	0.5
83.08601	5.3
84.08124	0.9
85.02875	2.3
85.10175	0.8
88.42529	0.4
91.05463	8.2
93.07025	9.8
94.06550	17.6
95.04945	1.6
95.07330	6.9
95.08591	8.6
96.08111	5.9
97.02869	0.8
97.06485	0.6
97.10149	3.3
98.06035	0.7
100.07589	0.5
101.09818	0.3
102.92905	0.4
105.07023	5.6
107.07359	0.5
107.08566	5.7
108.08086	3.5
109.08913	0.4
109.10130	3.9
111.11680	1.2
117.06955	0.4
119.07772	0.6
119.08562	6.4
120.08053	0.4
121.08843	0.5
121.09252	0.5
121.10124	7.3
122.09640	2.6
123.11663	1.2
124.11192	0.5
133.10109	4.0
134.09642	0.5
135.10394	0.9
135.11661	3.7
136.11189	1.3
137.13234	1.0
147.11671	1.1
149.13220	1.4
161.13237	0.7
163.14786	0.6
175.14735	0.4
177.16333	0.4
184.07266	0.6
193.19543	0.7
219.20894	0.5
233.22629	2.3
234.22227	0.6
245.22623	5.4
250.25258	7.9
254.24759	0.7
262.25250	100.0
263.25723	1.8
272.25797	5.4
280.26257	6.7
282.27762	3.3
296.25806	0.5
304.26288	8.3
312.25217	0.8
313.27200	0.4
335.25815	0.8
368.31442	0.5
442.31622	0.7
504.47668	5.1
516.47675	35.2
517.47937	0.9
518.49243	6.0
534.48724	21.5
535.49152	0.5
696.53894	6.9
697.53644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03936	1.3
54.39395	0.2
55.01859	0.4
55.05486	0.4
62.44247	0.2
65.03928	0.4
67.05495	0.5
68.99792	0.2
69.03430	0.9
69.72608	1.2
70.06561	0.2
71.04981	0.7
73.02885	0.2
79.05489	0.3
81.03402	6.6
81.07044	0.7
83.04991	0.2
85.02885	0.8
89.23965	0.1
91.05466	3.4
91.06003	0.3
93.07034	0.7
95.04956	0.6
95.08588	0.4
95.13748	0.1
97.02871	1.5
97.06549	0.2
99.04436	8.0
103.03925	1.1
105.03407	0.4
105.07007	0.3
107.04984	0.2
107.08547	0.4
109.02857	13.4
109.10150	0.5
119.04919	11.5
119.08572	0.4
120.05292	0.2
121.02887	0.2
121.10124	0.5
122.44212	0.2
123.04399	0.3
123.08047	0.2
127.03894	32.2
128.04198	0.3
131.04961	0.2
131.08578	0.3
133.10124	0.2
135.08086	0.2
137.09608	0.2
139.03873	0.5
141.05467	0.2
145.02838	0.3
145.04924	3.5
145.09039	0.2
145.10120	0.3
147.04381	100.0
148.04709	1.5
151.03889	0.2
154.06886	0.2
163.03946	0.2
169.04932	15.6
177.05476	0.7
187.05981	7.9
221.15184	0.2
229.07027	12.9
230.07402	0.3
247.08055	0.3
255.06497	1.5
256.06738	0.2
273.07526	5.8
289.09103	1.2
315.08557	15.6
316.08786	0.3
351.10635	0.5
393.11722	6.4
421.25546	0.6
483.21997	0.2
525.30579	0.4
716.34100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.9
56.04986	0.5
57.03397	0.4
57.07041	0.6
58.06596	0.7
59.07352	0.3
60.08152	6.2
63.18248	0.2
67.05488	2.1
69.07023	0.9
70.06592	0.3
71.07365	2.9
71.08595	0.5
71.62640	0.4
79.05455	0.9
81.07044	2.3
82.07344	0.3
83.04949	0.5
83.08575	0.4
86.09690	30.8
91.05478	1.4
93.07046	1.5
95.04935	0.6
95.08591	1.3
96.08956	0.2
97.10117	0.5
98.98441	2.5
104.10731	2.5
105.06989	1.0
107.08546	0.9
109.10117	0.6
119.08546	1.0
121.10116	0.8
124.99982	19.9
125.09570	0.3
131.08501	0.4
133.10045	0.5
135.11659	0.9
143.01013	0.3
145.10106	0.5
147.11656	0.6
159.11594	0.3
172.27284	0.2
184.07307	100.0
185.07637	0.9
195.00256	1.0
240.90596	0.3
255.15929	0.6
256.16135	0.3
267.19553	0.3
317.82013	0.3
336.26108	0.4
355.31976	0.3
462.25604	0.3
516.37439	0.4
517.38123	0.7
520.33820	0.3
543.36633	1.5
607.23535	0.3
714.46912	9.0
715.37372	0.6
715.48328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05502	10.8
57.03434	7.7
57.07045	1.7
57.33680	1.3
59.05005	1.3
60.08143	5.8
61.46389	1.3
67.05167	2.4
67.05499	32.9
69.03415	1.5
69.07053	13.3
69.93289	8.6
71.04964	1.6
71.07346	4.2
79.05481	19.9
80.47137	1.5
81.07045	42.7
82.07355	1.2
83.04977	3.5
83.08604	7.1
83.64426	1.5
85.02883	3.1
85.06530	2.9
86.09695	27.8
91.05469	17.0
93.07023	24.0
95.04934	4.3
95.08588	26.3
97.06522	3.3
97.10136	2.7
98.21438	1.4
98.98444	3.6
104.10699	1.7
105.07025	20.9
107.08588	16.2
109.06516	2.7
109.10130	15.6
111.08041	1.8
117.06982	4.5
119.08558	15.5
121.10123	13.9
123.11691	4.6
124.99992	18.2
125.09631	2.1
129.06966	2.5
131.08557	8.6
133.10115	11.7
135.11696	7.0
137.09589	2.0
143.08519	3.3
145.10155	8.0
147.11661	12.0
149.13214	5.0
155.08578	1.4
157.10124	3.2
159.11703	6.8
161.13237	3.9
163.14780	2.2
165.12726	4.1
168.90318	1.3
171.11699	3.1
172.00739	1.5
173.11729	3.3
173.13226	4.1
175.14774	2.8
184.07317	100.0
185.07588	3.4
185.13206	2.3
187.14732	2.0
197.13239	2.5
211.14711	1.4
229.14331	12.5
239.16266	8.7
241.17789	2.8
259.20676	1.5
261.22128	3.1
267.27597	1.4
299.76303	1.7
332.91495	1.2
333.24091	1.7
335.25754	21.7
362.08411	1.2
407.32773	3.2
425.33908	6.7
443.35223	2.8
452.22437	1.5
489.35718	6.4
499.37744	16.5
516.77972	1.4
517.31689	2.6
517.38849	40.5
543.35895	2.9
624.68512	1.5
712.68451	1.4
714.46661	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	712.4899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05497	7.9
57.03432	1.3
57.07067	20.7
58.02050	1.1
66.31052	1.0
67.05497	22.2
67.05837	0.9
68.07681	1.0
69.07053	7.2
71.04973	1.5
71.08627	13.4
71.63127	1.3
79.05486	10.0
81.07044	17.9
83.08603	5.9
85.06496	1.1
85.10175	9.1
91.05472	19.2
93.07037	11.6
95.04919	2.3
95.08591	20.7
97.10150	4.1
105.07018	23.0
105.49908	1.0
107.05007	1.3
107.08589	6.5
109.10140	8.3
117.07007	5.9
119.08566	13.1
121.10106	2.6
123.11704	2.5
129.06963	2.7
131.08556	9.7
133.10104	10.8
135.11636	2.3
139.83492	1.1
143.08537	2.6
145.10098	10.1
147.11647	5.7
149.13252	1.9
157.10100	1.8
159.11674	6.7
161.13264	2.6
171.11682	2.7
173.13286	2.9
175.14774	2.1
184.07379	1.2
185.13277	2.0
225.64189	1.1
241.19432	2.0
259.20532	4.1
282.27841	2.2
302.24774	2.3
313.27310	7.7
315.23196	15.9
333.24362	1.9
571.47150	100.0
572.47705	6.6
597.48499	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01866	0.9
55.05498	1.4
57.03432	2.0
57.07062	0.5
61.02922	3.3
67.05495	2.3
69.03429	1.9
69.07052	0.8
70.18600	1.6
71.01343	0.6
71.04979	0.7
73.02899	3.2
73.16401	0.3
75.73216	0.3
78.51791	0.3
79.05476	2.6
81.03404	2.7
81.07042	2.3
83.01105	1.0
83.04961	1.0
83.08592	1.3
85.02898	4.8
85.06560	0.3
86.09686	1.0
87.04472	0.4
91.03940	3.0
91.05493	1.8
93.07036	2.4
95.01104	0.4
95.04956	1.4
95.08582	1.6
97.02879	3.2
97.06537	0.8
97.10177	0.6
97.80259	0.4
99.04465	0.9
101.02353	1.0
105.03378	0.4
105.06997	2.0
107.04921	0.5
107.08564	1.9
109.02850	0.6
109.10145	0.9
111.08062	0.8
115.03973	0.6
115.61641	0.3
119.08589	1.7
121.10143	1.2
123.04356	1.2
124.99975	0.8
125.09657	0.5
127.03883	1.7
129.05463	1.9
129.06960	0.4
131.08553	0.8
133.06509	0.3
133.10158	0.9
135.11705	0.6
137.05898	0.5
137.09567	0.5
139.03873	1.0
143.07050	0.4
145.04964	0.9
145.10123	0.5
147.04459	0.5
147.11685	1.2
151.03867	0.5
157.04852	0.5
157.10091	0.9
161.09668	0.4
163.03787	0.5
163.11220	0.5
175.11145	0.5
177.05464	1.1
181.04768	1.2
184.03479	0.5
184.07315	4.2
185.04182	5.6
185.05748	0.4
185.07703	0.7
193.12263	1.4
199.05737	0.7
199.13336	0.9
201.03680	2.1
203.05264	0.8
211.13268	0.9
227.05164	0.4
241.06897	1.1
243.08430	4.1
251.12561	2.9
265.14200	0.4
277.14157	1.5
291.15686	1.1
299.05212	0.8
301.08920	13.9
302.09186	0.4
307.15161	1.0
315.10495	3.2
317.08322	0.7
327.10635	1.1
329.12128	0.8
341.12201	1.1
343.13705	0.9
349.16156	2.8
355.13568	0.9
357.11337	0.4
357.15231	1.1
363.17624	0.6
367.17322	1.3
369.15118	0.8
371.16739	1.6
373.10944	5.1
383.16660	4.0
385.18256	7.6
387.12637	1.3
395.16660	2.3
397.18359	0.4
401.14053	0.5
415.15704	0.7
423.19641	0.4
429.17798	1.7
433.25464	2.2
439.19186	1.6
441.20810	0.7
443.18814	6.1
443.24194	0.6
457.20438	1.3
467.18805	0.4
469.20447	15.1
470.21289	0.5
479.26151	0.8
483.22064	0.7
485.19650	3.4
499.21109	3.9
511.21500	1.3
527.20947	0.5
527.28198	1.4
528.21643	2.9
541.22430	7.5
555.23779	1.9
568.28314	0.4
569.25543	2.7
583.30206	1.0
595.30939	0.4
597.28394	0.5
611.30438	5.2
612.30811	2.9
625.32019	0.5
641.31354	0.6
651.33990	0.7
653.31512	0.9
663.36914	0.9
667.33221	1.0
695.32434	1.7
696.33087	1.0
713.33398	100.0
714.33789	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	712.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
54.66140	0.4
55.01862	2.3
55.05500	13.9
55.36098	0.4
57.03425	12.9
57.07063	3.5
59.04984	0.8
61.02911	2.3
63.28762	0.5
65.03930	1.6
67.05491	52.0
69.03411	0.8
69.07055	13.2
70.97363	0.4
71.01328	1.9
71.04973	3.4
71.05886	0.9
71.08617	1.6
73.02924	0.5
79.05477	39.8
80.05807	0.6
81.03403	3.6
81.07041	38.0
81.61021	0.4
82.07369	0.7
83.04956	7.0
83.08605	7.3
85.02897	3.2
85.06528	2.9
85.10156	0.9
86.09647	0.5
91.03962	0.9
91.05466	17.4
93.07025	47.4
94.07343	1.0
95.04946	4.7
95.08589	24.4
97.02869	1.3
97.06503	7.3
97.10151	7.5
99.04420	0.5
99.08068	1.0
105.04502	0.9
105.07002	8.0
107.04961	1.4
107.08575	28.7
109.06483	1.7
109.10130	15.7
111.08037	2.2
111.11685	0.8
117.06985	5.0
119.08559	9.1
121.06509	0.9
121.10116	14.2
123.08091	0.8
123.11681	3.3
125.09614	1.8
127.46453	0.4
130.07703	0.6
131.08543	5.6
133.10100	7.1
135.08101	0.6
135.11662	34.6
135.40350	0.4
136.12009	1.1
137.09590	1.4
137.13255	1.2
143.08470	0.6
145.10086	9.2
147.11655	3.0
149.13229	4.0
151.11191	0.8
153.12721	2.0
155.08574	0.6
159.11665	3.4
161.13173	2.2
163.11153	4.5
163.14813	1.9
168.55417	0.4
173.11789	0.9
173.13245	2.2
175.14774	0.8
181.12204	6.9
184.07320	1.8
187.14821	1.4
198.14627	0.5
199.13290	1.4
243.21024	4.3
253.14323	2.3
255.15862	55.7
256.16162	2.3
261.22092	11.1
262.22516	0.7
273.22211	0.5
313.27402	0.8
317.24704	2.4
318.39740	0.5
333.24240	0.9
335.25739	46.6
336.25949	2.2
423.32608	1.5
441.33606	1.1
461.32898	0.7
467.37305	6.6
468.37592	0.7
497.36264	1.2
515.37238	100.0
516.37567	10.4
523.39569	1.2
533.38177	2.2
534.38696	0.8
571.41919	4.0
662.39636	0.5
712.43457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70766	0.1
55.01845	0.1
55.05489	0.4
56.05015	0.6
57.03423	0.2
57.07048	0.3
58.06607	0.4
59.07361	0.1
60.08151	6.1
62.48071	0.1
67.05486	1.1
68.22470	0.1
69.03426	0.1
69.07047	0.4
70.06577	0.2
71.07358	2.9
71.08620	0.2
76.70662	0.2
79.05470	0.5
80.05790	0.1
81.03388	0.2
81.07036	0.9
82.18499	0.1
83.04969	0.1
83.08595	0.3
85.10155	0.2
86.09688	28.1
87.10005	0.5
91.05457	0.5
92.69463	0.1
93.07025	0.7
95.04926	0.2
95.08599	0.8
97.06519	0.2
97.10139	0.3
98.21453	0.2
98.98450	2.6
104.10723	2.0
105.07008	0.5
107.08585	0.5
108.51286	0.1
109.10146	0.4
117.07018	0.2
119.08556	0.4
121.10140	0.4
123.11649	0.2
124.99979	18.8
131.08504	0.2
133.10190	0.3
135.11693	0.2
143.01019	0.4
145.10138	0.2
163.11009	0.1
166.02669	0.2
184.07301	100.0
185.07677	1.5
227.12570	0.2
276.20419	0.1
281.86166	0.1
319.24252	0.1
409.12158	0.1
452.24176	0.2
481.38611	0.3
515.37164	0.2
571.47546	0.2
595.54572	0.1
712.45300	6.1
713.46094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2123
Annotation	Kaempferol 3-apiosyl-(1->4)-rhamnoside-7-rhamnoside
Peak:m/z	Relative Intensity
53.03943	0.2
55.01853	0.7
55.05497	0.5
57.03428	2.9
59.04996	0.3
61.02921	0.5
63.12355	0.2
67.24548	0.2
68.99771	0.2
69.03075	0.2
69.03422	2.6
70.45781	0.2
71.01339	0.8
71.04987	11.6
73.02908	1.8
75.04447	0.6
77.52100	0.2
79.05460	0.2
81.03412	0.3
81.07055	0.2
83.04977	1.9
85.02896	16.5
87.04456	0.7
97.02873	2.3
99.04455	0.4
99.77774	0.2
103.03935	0.7
109.06524	0.2
111.00799	0.5
111.04436	1.3
113.05984	0.3
115.03912	2.1
121.02840	1.5
123.04443	0.3
127.03873	0.3
129.05469	5.1
133.02837	0.2
133.04932	1.5
137.02318	0.5
139.03851	0.6
142.35268	0.2
144.86609	0.2
145.06506	0.3
147.04414	0.3
147.06516	1.9
153.01823	2.0
153.05373	0.2
157.04901	0.3
157.06401	0.2
158.99956	0.2
161.06123	0.2
164.06982	0.3
165.01802	1.1
167.07043	0.3
169.05016	0.4
171.06487	0.2
183.02899	0.7
208.78671	0.2
213.05449	0.8
225.07553	0.4
231.06499	0.5
241.04965	0.6
243.08659	0.3
258.05182	0.7
261.09601	0.2
287.05466	100.0
288.05817	2.6
299.05469	0.6
325.06937	0.2
329.06494	1.0
353.06488	0.4
383.07779	0.4
397.09079	0.5
401.08347	0.3
419.09735	0.8
433.11273	12.2
434.11569	0.3
565.15485	0.4
579.16943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1905
Annotation	Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)-7-rhamnoside
Peak:m/z	Relative Intensity
55.01863	0.2
55.05499	0.7
57.03425	0.6
65.03917	0.5
67.05489	1.0
68.05815	0.1
69.03407	0.4
69.07049	0.3
70.77748	0.1
71.04980	0.3
79.05476	0.9
80.05821	0.1
81.03400	4.5
81.07047	1.1
82.03746	0.4
82.07368	0.1
83.04970	0.5
83.08611	1.1
84.08942	0.1
85.02897	0.9
85.06516	0.1
85.50722	0.1
86.09683	0.2
91.05463	4.9
92.05795	0.2
93.07040	0.7
94.07375	0.1
95.04951	1.5
95.08579	0.4
95.09593	0.1
96.05299	0.1
96.08943	0.1
97.02882	0.4
97.06517	0.2
97.10149	0.3
101.07732	0.1
105.07016	1.0
106.07365	0.2
107.04930	0.5
107.08579	0.4
108.08898	0.1
109.06494	0.3
109.10139	0.3
111.04409	0.2
111.08044	0.5
113.05975	0.1
115.03907	0.1
117.06981	0.2
119.04919	13.2
119.08556	0.8
120.05248	0.2
120.08895	0.1
121.02792	0.1
121.06480	0.3
121.10121	0.5
122.10441	0.1
123.08080	0.2
123.11693	0.1
124.99993	0.2
125.09550	0.2
127.03858	0.1
129.06979	0.6
131.08548	0.6
132.08878	0.1
133.06471	0.2
133.10104	0.5
135.11613	0.1
137.09581	0.2
139.11162	0.1
142.07736	0.1
143.08572	0.1
145.06419	0.2
145.10132	0.1
147.04379	100.0
147.11636	0.6
148.04716	2.2
148.12019	0.2
149.09576	0.5
151.11116	0.1
153.09105	0.1
157.10114	0.7
158.10388	0.2
161.05960	0.1
163.03841	0.1
163.11115	0.1
165.12720	0.1
175.11150	0.8
176.11478	0.2
176.28296	0.1
177.05473	0.1
184.07292	0.7
185.07796	0.1
189.05502	0.1
189.12695	0.1
193.12206	1.7
194.12527	0.4
211.13248	0.7
212.13614	0.2
227.12698	0.1
231.06541	0.1
235.41641	0.1
261.07599	0.1
267.15872	4.3
268.16214	1.7
273.14767	0.2
274.15256	0.1
279.08578	13.3
280.08878	0.4
285.16891	0.7
286.17389	0.3
287.05438	2.1
288.05746	0.1
319.15186	0.1
349.21445	0.1
350.21857	0.1
367.22614	0.4
368.22928	0.2
385.23492	0.3
386.24072	0.3
403.24597	0.1
404.25412	0.1
433.11172	0.1
433.25952	0.4
434.26083	0.4
441.26239	0.2
442.26471	0.2
459.21054	0.1
459.27319	2.2
460.27649	2.5
477.28387	1.3
478.28754	1.4
495.29391	0.1
496.29233	0.1
565.13434	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	710.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
53.10637	0.3
55.01858	1.0
55.05260	0.3
55.05505	4.3
55.85760	0.2
55.89158	0.2
57.03431	4.5
58.06608	0.3
59.04975	0.3
60.08150	0.5
61.02900	0.5
61.85596	0.3
63.49523	0.3
65.03931	0.9
67.05492	7.1
69.03416	1.9
69.07065	1.9
69.58598	0.5
69.59003	1.8
69.62543	0.2
71.04977	1.1
73.02876	0.3
75.20538	0.3
78.25009	0.2
79.05478	7.3
81.03404	31.2
81.07046	7.2
82.03740	0.6
83.04971	3.6
83.08606	8.0
85.02888	4.4
85.06517	0.5
86.09687	3.5
88.64246	0.2
91.03917	0.3
91.05465	13.4
93.07030	5.1
95.04955	10.0
95.08600	3.4
97.02876	1.1
97.06511	1.2
97.10168	2.1
99.08044	0.4
103.05434	0.5
105.07015	7.1
106.76395	0.3
107.04941	3.5
107.08572	2.9
109.02862	0.6
109.06515	2.1
109.10132	2.2
111.04421	0.9
111.08063	3.4
113.05986	0.7
115.05441	0.5
117.07001	1.0
119.04922	14.0
119.08559	6.1
121.06503	1.5
121.10119	3.4
123.04371	0.6
123.08047	1.0
123.11669	0.6
124.99980	1.7
125.09613	1.4
128.06108	0.4
129.05530	0.3
129.06984	4.0
131.04919	1.2
131.08540	4.7
133.06454	1.8
133.10103	3.8
135.08041	0.8
135.11682	0.3
137.05994	0.4
137.09604	1.2
141.06934	0.3
142.07759	0.8
143.08519	0.6
145.06422	1.7
145.10159	0.8
147.04382	100.0
147.11661	4.8
149.09596	2.6
153.09038	0.4
155.08453	0.3
157.06503	0.3
157.10104	4.5
158.10420	0.4
159.08104	0.5
161.05936	0.5
161.09647	0.5
163.07426	0.3
163.11150	0.7
165.09077	0.8
165.12691	1.1
171.07961	0.4
171.11638	0.5
173.09607	0.4
175.11150	5.2
177.05437	0.4
181.10092	0.3
183.08034	0.3
184.07309	11.3
189.11125	0.4
193.12209	14.5
194.12613	0.7
195.11656	0.4
197.13246	0.4
205.11989	0.3
209.66524	0.3
211.11310	0.3
211.13242	7.2
212.13573	0.5
219.13771	0.4
227.12636	0.4
229.14349	0.5
231.13753	0.3
233.15268	0.7
237.12665	0.4
249.14835	0.8
255.13766	0.8
259.15442	0.3
267.15869	41.2
268.16196	1.4
273.14777	1.7
279.08585	13.4
285.16928	6.5
286.17099	0.5
287.05411	3.6
309.13098	0.3
339.23138	0.5
341.21030	0.7
349.21539	1.0
367.22589	3.5
385.23615	3.9
403.24753	1.1
405.23795	0.4
415.24524	0.5
432.17197	0.3
433.25839	5.4
441.26358	2.8
459.27335	30.3
460.27567	1.7
477.28403	19.6
477.35468	0.6
477.90118	0.3
478.28864	1.0
495.29257	0.5
519.29272	0.7
603.31445	0.5
647.92651	0.3
674.12775	0.3
710.34357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.2
55.05490	0.7
56.05018	0.7
57.03431	0.6
58.06610	0.5
59.04992	0.1
59.07364	0.2
60.08154	5.7
60.08463	0.3
66.87292	0.1
67.05495	1.0
69.03410	0.2
69.07042	0.5
70.67471	0.1
70.67822	0.4
71.04963	0.2
71.07365	2.6
73.58292	0.1
74.05407	0.1
79.05500	0.9
81.03403	3.2
81.07040	1.3
83.04969	0.6
83.08606	1.1
85.02898	0.8
85.06519	0.1
86.09689	27.5
91.05468	1.7
93.07030	0.9
95.04958	1.6
95.08591	0.5
97.02872	0.3
97.06509	0.3
97.10156	0.3
98.98450	2.4
104.10720	2.4
105.07008	1.3
107.04929	0.4
107.08572	0.6
108.51849	0.1
109.06477	0.4
109.10121	0.4
111.04395	0.3
111.08065	0.4
119.08563	0.8
121.06474	0.5
121.10137	0.6
123.04419	0.2
123.08071	0.2
123.11802	0.1
123.37804	0.1
124.99979	18.1
125.09654	0.3
127.03992	0.1
129.06961	0.5
131.08545	0.6
133.06454	0.3
133.10068	0.6
135.08060	0.2
135.11642	0.3
136.66963	0.1
137.09570	0.2
138.57309	0.1
143.01028	0.3
145.02957	0.1
145.06493	0.2
145.10052	0.2
147.04375	0.4
147.08022	0.3
147.11662	0.6
149.09596	0.4
150.11151	0.1
155.10669	0.1
157.10080	0.5
163.11179	0.2
165.12804	0.3
175.11151	0.7
177.05475	0.2
184.07303	100.0
185.06046	0.1
185.07632	0.6
189.11131	0.2
193.12215	1.8
194.12384	0.2
211.13226	1.3
227.12772	0.4
247.29890	0.1
267.15881	3.1
285.17014	1.5
301.16742	0.1
367.22672	0.3
369.26608	0.3
381.56857	0.1
385.23645	0.6
403.24301	0.2
413.68692	0.1
441.26376	0.2
450.22122	0.2
459.27344	3.2
477.28378	5.4
478.28519	0.3
495.29202	0.8
513.29480	0.2
626.75055	0.1
632.47815	0.1
642.34570	0.2
660.34949	20.8
661.35291	0.8
710.35822	0.3
718.08728	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
67.05513	2.8
69.07063	0.9
71.59307	1.2
75.06322	0.6
79.05505	1.6
81.07063	2.5
83.04964	0.7
83.08605	0.7
89.58705	0.6
91.05499	1.8
93.07063	1.9
93.29489	0.7
95.08611	1.8
97.10171	1.0
107.08597	1.5
109.10142	0.9
111.07996	0.6
119.08582	0.7
135.08063	0.9
162.79288	0.7
163.11139	0.7
188.13528	0.7
294.64328	0.7
391.19217	2.0
397.32925	0.7
405.16644	3.5
406.21863	1.3
407.22327	5.3
418.17728	1.1
419.18094	4.6
420.19434	2.8
421.20132	2.2
433.15558	1.5
433.20761	4.9
434.21106	4.6
435.21841	9.9
447.17767	3.0
447.22571	2.3
448.18500	2.0
449.19800	2.8
460.23193	0.9
461.19031	4.0
462.20264	5.7
463.21136	4.5
475.21100	2.7
489.22745	2.3
494.23373	1.1
506.23572	0.9
508.24716	1.0
517.21985	1.0
521.25470	9.2
521.38116	1.0
537.40967	2.1
547.26489	1.1
549.24878	52.7
550.25055	3.1
577.24445	1.8
581.27576	6.3
583.91974	0.8
594.28802	3.4
607.28943	3.6
608.28174	1.7
609.26941	100.0
610.27350	8.6
623.28876	1.1
635.32721	1.2
636.32678	1.2
649.33777	5.9
663.31256	1.2
664.35687	2.0
677.33392	1.0
691.35083	4.8
692.35535	3.9
709.35699	47.6
710.36261	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	708.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.3
55.01852	0.3
55.05501	1.6
56.05003	0.6
57.03421	0.3
57.07069	1.0
58.06609	0.5
60.08152	6.0
64.17873	0.2
67.00552	0.1
67.05492	1.6
68.03805	0.1
69.07050	1.3
69.87532	1.0
70.06575	0.1
71.04974	0.4
71.07360	3.1
71.08609	0.6
77.56345	0.1
79.05487	0.9
81.03409	0.9
81.07041	1.4
83.04959	0.5
83.08601	1.4
85.06557	0.2
85.10157	0.2
86.09692	30.6
87.04439	0.2
87.10031	0.2
91.05487	1.0
91.89408	0.1
93.07034	1.4
95.04935	0.5
95.08587	0.9
97.06520	0.3
97.10136	0.7
98.20818	0.2
98.98448	3.0
104.10730	2.2
105.07023	0.7
107.04926	0.4
107.08572	0.8
109.10139	0.7
111.08044	0.2
111.11699	0.2
117.06988	0.3
119.08545	0.6
121.06438	0.2
121.10176	0.3
123.08063	0.2
124.99985	20.9
131.08565	0.4
133.10127	0.5
135.11673	0.6
143.01018	0.3
145.10065	0.6
147.08029	0.2
159.11734	0.2
163.11177	0.7
184.07310	100.0
185.07634	1.1
227.12784	0.2
238.47887	0.2
253.14340	0.3
275.19925	0.2
311.25641	0.2
447.95056	0.2
504.37396	0.8
505.39050	0.2
519.24884	0.2
519.36774	3.6
520.37341	0.3
537.37903	1.6
567.42365	0.2
639.42181	0.2
676.45276	0.9
708.47961	9.1
709.35712	0.5
709.48425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
53.17891	0.3
55.01863	1.4
55.05503	2.2
57.03432	1.9
57.07069	0.4
59.36668	0.3
61.02920	3.4
67.05492	4.5
69.03430	1.9
69.07060	1.5
71.04980	1.2
71.62539	0.7
72.86710	0.3
73.02901	2.6
79.05487	3.6
80.06359	0.4
81.03401	3.1
81.07044	4.1
82.07375	0.4
83.01080	0.5
83.04966	1.6
83.08605	1.1
85.02898	3.9
85.06539	0.5
86.09693	0.5
87.04473	0.5
91.03934	2.9
91.05463	3.4
92.70024	0.3
93.07020	2.9
95.04965	1.9
95.08586	1.7
96.01884	0.4
97.02891	3.0
97.06516	0.7
97.10167	0.5
99.04424	0.7
99.08057	0.4
101.02378	1.2
103.03930	0.5
105.07018	2.4
107.08567	1.7
109.02821	0.7
109.06499	0.8
109.10145	1.6
111.04453	0.3
111.08086	0.4
115.03916	0.4
117.05466	0.5
117.07008	0.5
119.08540	1.8
121.10147	0.9
123.04331	0.5
123.08038	0.5
123.11671	0.7
125.09615	0.7
127.03903	1.5
129.05499	2.3
129.06979	0.7
131.08560	0.8
133.10117	0.9
135.08070	0.4
135.11684	0.6
135.46046	0.3
137.09642	0.4
139.03574	0.4
145.04933	0.7
145.10152	0.9
147.11624	1.9
148.12013	0.4
149.09645	0.6
149.13297	0.4
151.11180	0.3
153.01822	0.4
157.04837	0.5
159.11710	0.5
161.13231	0.5
163.11131	0.4
171.11694	1.3
173.11684	0.5
175.11162	0.4
181.04790	0.6
184.03410	0.4
184.07277	1.8
185.04196	5.1
185.13205	0.3
198.41571	0.3
199.05861	0.5
199.13306	0.5
201.03709	1.6
203.05231	0.6
229.14159	0.4
241.06802	0.5
243.08385	4.0
247.12987	4.5
247.14946	0.4
259.07858	0.5
265.51230	0.3
267.16034	1.0
268.16342	0.7
269.17450	0.6
273.14694	0.4
273.62857	0.3
285.17130	0.3
286.50436	0.3
287.16144	1.3
301.08899	12.4
303.15753	0.4
313.08987	0.7
315.10428	3.8
317.08374	0.4
317.17264	0.4
327.10635	0.6
329.12396	0.5
341.12112	1.6
342.93692	0.4
343.13821	0.8
345.16736	3.6
355.13708	1.0
357.15244	1.5
359.18274	0.8
363.17862	0.6
369.15326	1.1
371.16718	2.3
373.10980	6.1
383.16745	2.0
385.18292	6.5
387.12619	1.4
391.17197	2.0
401.14249	0.5
415.15707	0.8
423.20010	0.4
429.17282	2.2
429.26132	3.0
435.20056	1.0
439.19598	0.6
443.18884	1.5
453.28336	0.4
455.19028	1.9
457.20395	1.1
458.20374	0.4
462.28894	0.5
465.20895	10.6
466.21545	0.6
467.18991	1.0
475.26569	0.7
479.30185	0.4
480.30527	1.4
481.20505	3.3
485.19684	0.8
495.21979	8.7
495.29208	0.7
496.22723	1.2
509.23654	0.9
512.32544	0.5
523.24969	0.7
524.22137	5.3
537.22827	6.9
538.23639	0.4
539.28259	0.5
548.21906	0.4
551.24115	1.6
564.25494	0.3
565.29419	3.2
566.30786	0.3
579.31586	4.3
580.32355	1.5
593.28394	0.4
607.30786	4.8
608.31494	3.2
612.30737	0.4
625.31940	0.5
635.33148	0.5
647.34058	0.6
649.31683	1.1
651.32928	0.5
663.33466	1.8
664.33765	0.5
691.33093	2.2
692.33826	1.4
709.33911	100.0
710.34186	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	708.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02333	0.4
53.03915	1.1
55.01866	1.6
55.02065	0.3
55.05501	5.4
57.03426	8.0
57.07047	0.7
61.02889	0.8
65.03903	0.7
67.05491	24.6
68.05804	0.3
69.03411	2.0
69.07054	7.6
69.39282	3.6
71.01331	0.3
71.04973	2.2
73.02873	0.7
77.91963	0.3
78.07193	0.3
79.05478	14.1
81.03403	37.8
81.07040	29.6
81.07733	0.6
82.07365	0.8
83.04964	4.3
83.08605	12.4
85.02862	1.5
85.06494	1.6
86.09682	0.7
88.28893	0.3
91.05464	12.6
92.05791	0.3
93.07024	21.9
95.04370	0.8
95.04951	12.7
95.08057	0.6
95.08591	8.5
96.05271	0.4
97.02861	1.6
97.06509	4.9
97.10165	2.0
98.20642	0.5
99.04389	0.6
99.08035	1.0
105.07014	7.0
107.04930	2.7
107.08578	11.3
108.08864	0.4
109.06516	2.3
109.10130	2.8
111.04402	1.1
111.08055	6.1
113.05986	0.4
113.09572	0.6
115.05441	0.4
117.06984	3.6
119.04885	0.7
119.07779	0.6
119.08559	6.9
121.06489	2.2
121.09316	0.5
121.10121	9.2
122.10395	0.3
123.08013	1.0
123.11677	2.0
125.05943	0.3
125.09592	1.5
129.06975	3.8
131.08548	7.2
133.06462	1.2
133.10104	5.9
135.08006	1.5
135.11656	4.1
137.09575	0.9
139.11174	0.5
142.07774	1.2
143.08517	0.7
145.05020	0.4
145.06409	0.4
145.10071	1.3
147.08044	1.8
147.11649	4.2
149.09584	2.8
149.13228	12.5
151.11176	0.4
157.10106	5.3
159.07944	0.4
159.11656	6.7
163.11136	1.3
165.12686	0.7
171.11646	0.5
175.11165	4.7
177.12726	2.2
184.07268	1.1
185.13194	0.4
189.12775	0.4
193.12213	11.1
194.12560	0.7
195.13763	4.2
211.13171	2.2
213.14720	0.4
217.15889	0.4
218.84242	0.4
229.14395	1.0
231.13875	0.5
240.82301	0.3
249.14777	1.1
267.15866	45.4
268.16080	1.7
269.17429	52.3
270.17786	2.2
274.18823	0.4
285.16846	1.0
301.20148	0.3
309.16977	0.5
349.23682	0.4
369.24191	0.7
413.22372	0.3
417.26526	0.7
435.27396	4.8
436.27267	0.4
443.27808	1.9
461.28903	100.0
462.29181	6.5
479.30035	3.0
493.28125	0.3
493.31427	0.3
503.29868	1.6
511.27771	0.7
557.30817	0.6
569.31036	0.9
587.32037	0.9
605.33429	0.4
709.32849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75819	0.7
53.03934	3.5
55.01866	4.6
55.05255	1.4
55.05505	22.4
57.03174	1.5
57.03430	16.4
57.07056	1.9
58.26097	0.7
59.04984	2.5
61.02914	7.1
65.03922	2.5
67.05498	71.1
68.05806	1.3
69.03412	5.3
69.06709	1.0
69.07062	12.3
71.04988	29.2
71.62801	1.4
73.02916	2.6
79.05483	37.2
79.05949	1.9
80.05836	0.9
81.02918	1.3
81.03410	59.1
81.07049	100.0
82.03752	1.2
82.07384	2.0
83.04975	16.9
83.08614	27.3
85.02895	24.6
85.03418	1.0
85.06536	11.0
87.04459	1.1
91.03948	2.6
91.05473	46.9
92.05820	1.3
93.07033	35.6
94.07365	0.9
95.04963	27.3
95.08593	18.5
97.02888	7.0
97.06519	10.9
97.10163	5.2
99.04424	1.4
99.08076	3.5
103.03946	1.1
105.07018	31.5
106.07371	0.9
107.04955	8.9
107.08583	22.5
109.06526	5.3
109.10145	13.9
110.10522	0.9
111.04436	2.4
111.08063	12.7
113.06004	3.0
115.05479	1.6
117.06996	6.5
119.08572	18.4
121.06467	4.2
121.10128	15.6
123.08063	4.7
123.11699	15.9
125.00031	1.3
125.09639	4.3
127.03902	2.2
127.07516	1.3
129.05473	1.8
129.07007	9.3
131.08556	15.3
133.06488	2.4
133.10118	29.2
135.04373	0.9
135.08022	1.9
135.10773	1.2
135.11687	8.2
137.09631	2.0
142.07797	3.0
143.08578	1.3
145.06470	1.2
145.10129	5.1
147.04442	1.1
147.08038	3.3
147.11664	17.2
149.09625	7.0
149.13245	8.0
151.11185	7.4
157.10118	15.1
159.08064	1.0
159.11656	6.7
161.09601	1.2
161.13281	1.3
163.11169	5.3
165.12779	4.3
169.12306	1.8
171.11705	1.7
173.11751	2.1
173.13211	1.2
175.11154	15.2
177.05469	1.0
177.12749	3.0
183.13815	3.7
184.07344	3.2
187.07607	1.2
187.13297	5.7
193.12222	33.6
194.53603	0.8
195.13771	4.9
209.11761	1.5
211.13275	33.8
213.14807	1.1
225.14867	2.7
227.12758	2.2
229.14320	5.7
243.15929	3.2
251.16388	0.8
253.17973	3.5
257.17615	1.9
267.15894	30.7
268.16205	2.4
269.17468	24.1
270.65628	0.8
283.15369	3.9
284.15778	1.1
285.16931	24.0
301.16516	2.3
301.20023	21.0
309.63876	0.8
343.22565	1.1
349.23718	4.4
379.25739	0.8
417.26346	1.9
433.29367	1.0
435.27408	27.6
439.26624	3.9
443.27924	5.1
446.74713	0.9
453.28436	63.7
454.28879	3.5
460.27759	1.6
461.28931	80.9
462.29083	4.2
467.29926	12.2
479.30017	67.8
480.30078	3.1
493.31180	4.0
511.33020	46.4
512.32751	3.4
529.29108	1.5
585.32849	0.9
587.31799	2.0
655.36414	1.4
704.28101	1.0
709.33478	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	708.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
54.90396	1.0
55.01606	1.7
55.01854	13.5
55.05500	28.8
57.03425	22.9
57.07045	2.2
59.04972	2.0
61.02916	7.0
65.03940	1.6
67.05490	39.2
69.03117	0.9
69.03420	9.5
69.07054	11.7
69.44920	10.5
71.01331	1.4
71.04977	6.0
73.02891	5.6
74.37165	1.1
79.05477	36.8
81.03403	79.4
81.07042	35.6
82.04179	4.8
83.04967	25.9
83.08131	2.0
83.08602	28.7
83.91439	1.0
85.02884	24.7
85.06510	3.1
86.03209	1.1
91.03962	2.7
91.05460	37.1
93.06456	1.9
93.07023	28.9
95.04949	37.8
95.08585	15.8
97.02867	10.0
97.06523	8.6
97.10154	16.2
98.07300	6.2
98.07832	1.3
99.04482	1.4
99.08047	3.1
101.06009	1.6
105.06366	2.0
105.07008	23.6
107.04931	13.9
107.08574	15.8
109.02859	1.2
109.06492	7.6
109.10142	13.6
111.04411	5.1
111.08051	18.8
113.05963	2.7
116.04679	10.8
117.05531	1.2
117.06976	5.2
119.07774	2.0
119.08556	25.6
121.06473	3.2
121.10104	10.7
123.08039	7.6
123.11674	1.9
125.09602	13.9
127.11143	2.7
129.05461	27.1
129.06944	14.1
130.06235	1.0
131.08542	16.4
133.06474	3.1
133.10106	12.6
135.08023	3.4
135.11685	5.3
137.09567	3.2
142.07722	3.3
143.06995	5.0
143.10637	1.9
145.10085	7.7
147.08017	4.2
147.11655	18.5
149.09592	10.7
153.09052	1.8
153.12683	4.8
157.08565	11.9
157.10089	17.9
158.05635	1.6
163.11159	9.5
165.12685	3.9
166.13347	1.3
171.06499	3.7
171.10167	5.1
173.09572	2.4
173.11703	4.3
175.11154	19.6
181.12186	4.3
189.11180	7.9
191.10748	2.1
193.12207	72.3
194.12469	1.7
199.09497	1.3
199.13258	16.2
200.14043	2.9
201.14877	1.7
209.11621	9.7
210.12502	2.0
211.13246	100.0
212.13597	2.8
227.12743	15.0
229.14293	4.0
247.13342	2.8
249.14929	1.8
255.15810	2.3
265.14288	2.0
267.15845	32.9
283.15347	14.7
284.16122	2.0
285.16901	72.4
286.17285	2.6
301.16394	64.9
302.16663	2.6
325.23660	1.2
339.17862	2.2
409.25659	4.1
427.27087	6.1
439.26849	20.9
459.27109	3.9
475.26630	2.1
476.27625	4.2
477.28580	5.3
477.34491	1.3
493.27808	19.0
494.28891	5.0
511.28925	78.8
512.29181	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	707.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.5
55.01866	8.7
55.05258	2.5
55.05503	33.0
55.73623	1.5
55.93592	1.7
57.03429	17.1
57.07069	8.1
59.04990	1.8
65.03909	4.9
67.05493	71.7
68.05812	1.6
69.03419	21.6
69.07054	20.5
69.93828	9.5
71.01344	2.7
71.04968	9.2
77.03931	2.2
79.05483	50.0
81.03403	100.0
81.07041	81.9
83.04968	33.4
83.08604	29.1
85.02883	21.0
85.06527	2.5
86.09686	8.6
87.04454	32.8
88.04774	3.1
91.05465	57.0
92.99312	1.9
93.07024	59.4
93.07617	3.2
95.04356	2.6
95.04954	35.1
95.08591	50.7
97.02875	19.7
97.06495	9.7
97.10127	10.9
98.98426	2.8
99.04430	5.5
99.08082	3.3
103.05441	1.8
105.07012	42.4
107.04960	9.6
107.08578	38.9
109.02876	10.3
109.06506	8.9
109.10134	21.4
111.04417	15.3
111.08068	12.7
113.05955	3.7
115.05451	2.1
116.06195	1.4
117.06995	14.7
119.08568	37.8
121.06510	7.5
121.10120	28.7
123.04402	2.4
123.08023	5.6
123.11694	7.6
124.99955	6.8
125.06027	1.6
125.09566	7.4
127.03865	6.2
128.06192	4.1
129.05457	9.1
129.06972	14.7
131.08527	25.5
133.06436	4.7
133.10121	25.1
134.10316	2.1
135.08014	4.2
135.11656	11.3
137.05881	1.5
137.09583	4.1
137.13214	2.0
141.06964	2.2
142.07753	3.4
143.08508	9.0
145.06430	2.6
145.10103	15.7
147.08006	6.7
147.11653	26.8
149.09593	8.6
149.13240	6.4
151.11143	2.6
153.12659	5.2
155.08542	4.3
157.06480	2.2
157.10107	20.9
159.08011	3.2
159.11662	11.8
161.09592	3.8
161.13219	6.2
163.11148	9.8
163.14783	3.7
165.09045	2.0
165.12720	6.2
169.10088	4.5
171.08118	2.1
171.11606	7.4
173.09549	3.6
173.11861	1.5
173.13197	7.5
175.11166	16.9
177.12726	1.8
181.10085	1.7
181.12192	4.7
183.11618	3.8
184.07321	31.1
185.07571	3.8
185.13251	4.2
187.11168	3.3
187.14749	3.1
191.10608	5.3
193.12204	48.0
195.11743	1.9
197.13266	2.9
199.11168	2.3
199.14790	3.7
201.12788	1.9
203.10732	1.6
205.88066	1.7
207.13806	1.6
209.11638	2.3
211.13239	67.5
213.16365	2.2
227.12732	12.3
229.14310	6.3
239.14247	1.7
243.20935	2.0
249.14830	2.4
259.20490	3.1
261.22107	9.0
267.15823	25.1
275.20117	3.0
275.32504	1.7
277.21420	3.0
281.17398	2.7
283.15277	4.7
285.16888	28.8
301.21518	2.8
315.22910	2.3
317.24649	3.3
335.25793	40.7
337.16269	2.3
337.27206	5.0
345.24585	1.8
351.22763	4.1
355.17538	2.8
363.25507	1.9
369.24146	10.8
387.25067	4.6
392.20486	2.1
405.26236	5.1
411.20145	2.6
417.31506	2.1
429.21118	18.1
435.32767	2.2
443.27728	4.6
453.33337	2.1
461.28790	5.8
479.29797	4.1
509.36111	1.7
527.37164	20.6
535.36078	4.4
543.36450	2.0
545.38232	63.3
546.38385	4.9
563.39301	3.5
579.36072	1.8
609.44788	3.8
611.39410	2.6
635.39435	2.6
653.40228	12.7
671.41931	9.2
689.42358	35.0
690.42590	3.3
707.32861	2.3
707.44843	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	707.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.0
55.01853	5.8
55.05499	34.3
57.03182	1.4
57.03426	20.6
57.07061	2.8
59.60781	1.2
60.08144	2.1
65.03922	3.9
67.05490	79.3
68.05830	2.2
69.03419	19.6
69.06708	1.9
69.07053	21.7
71.01345	1.3
71.04980	9.1
71.08585	1.4
73.02869	3.3
77.03907	1.4
78.74051	1.2
79.05476	54.6
81.03400	100.0
81.07040	76.5
82.07365	1.0
83.04465	2.3
83.04961	37.7
83.08133	2.0
83.08603	29.7
85.02886	21.3
85.06522	4.1
86.09691	8.0
91.05463	50.1
92.05817	1.7
93.07023	64.5
94.07344	1.4
95.04343	2.1
95.04947	30.2
95.08585	50.0
97.02876	16.8
97.06509	7.8
97.10136	9.8
98.98459	1.1
99.04426	5.1
99.08065	1.9
99.91982	1.2
101.02380	1.3
103.05470	2.2
105.07008	39.8
107.04946	7.2
107.08572	32.9
109.02853	10.2
109.06506	7.9
109.10133	23.0
111.04417	15.6
111.08053	13.2
113.05998	1.4
115.05389	2.2
117.06996	10.1
119.08561	33.9
121.06475	5.2
121.10113	30.6
122.21621	1.1
123.04417	1.7
123.08041	4.3
123.11667	8.2
124.99959	5.5
125.09619	3.7
127.03892	10.4
127.07440	1.2
128.06152	1.9
129.05476	8.4
129.06958	13.5
130.50656	1.1
131.04874	1.3
131.08542	28.7
133.06425	4.8
133.10098	19.6
135.08017	3.4
135.11656	16.0
137.09575	3.6
137.13234	1.7
141.06946	2.8
142.07751	3.2
143.08540	6.0
145.06409	2.6
145.10091	14.9
147.07997	3.7
147.11653	22.4
149.05905	1.6
149.09583	5.8
149.13248	7.6
151.11125	1.3
151.14656	1.1
153.09091	1.2
153.12708	3.7
155.08528	4.4
157.10097	17.0
158.10512	1.4
159.11670	8.6
161.09555	1.7
161.13251	5.4
163.11160	6.2
163.14790	2.8
165.12708	6.0
169.10088	3.9
171.08076	1.3
171.11646	3.4
173.04416	1.4
173.09599	3.9
173.13264	6.8
175.11153	14.5
175.14792	2.4
181.12190	4.9
183.11620	2.3
184.07312	21.5
185.07611	3.1
187.14821	3.4
189.11137	1.8
191.10645	5.5
193.10403	2.3
193.12202	47.7
195.11543	1.7
199.11198	1.3
199.14726	1.4
201.16280	2.8
205.15703	1.3
211.13242	66.5
213.12727	1.8
225.12772	1.7
227.12746	10.1
229.14287	5.0
229.45508	1.3
235.13185	1.3
241.19339	1.4
243.21005	2.3
249.14798	1.8
259.20560	1.8
261.22043	9.3
267.15851	16.4
275.20026	1.4
277.21680	2.7
283.15228	5.9
285.16910	23.5
303.23254	1.8
317.24716	3.2
335.25717	61.2
336.26044	2.8
337.27191	4.7
345.24026	2.1
351.22980	3.4
355.17398	4.0
363.25266	1.4
369.24191	5.0
387.24939	3.1
395.25537	1.3
398.74216	1.3
405.26480	1.8
411.19879	2.0
429.21109	19.6
435.32513	2.7
443.27982	2.7
453.33676	1.7
461.28964	4.0
479.29770	2.8
511.75992	1.4
527.36987	13.5
535.36383	2.3
543.36530	1.4
545.38275	75.6
546.38348	4.7
563.38623	1.7
597.37048	1.5
635.38800	1.5
641.40320	1.4
653.40570	6.5
671.41370	5.3
689.42328	32.5
690.42090	1.8
707.43518	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	707.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01852	6.8
55.05500	30.3
57.02078	1.2
57.03430	18.2
57.07052	2.9
59.04999	1.2
61.02905	4.3
65.03925	4.7
67.05492	78.9
68.05833	1.2
69.03415	21.1
69.07056	19.1
69.67973	9.5
71.01340	1.4
71.04977	12.0
73.02888	3.1
79.05479	58.0
80.05804	2.1
81.03403	100.0
81.07040	77.3
82.03732	1.7
83.04966	36.1
83.08604	28.8
83.97593	1.3
85.02888	24.5
85.06522	4.5
91.03938	4.2
91.05465	48.0
93.07027	60.4
95.04360	1.6
95.04954	27.3
95.08588	48.1
96.08894	1.4
97.02881	22.8
97.06522	7.7
97.07043	1.1
97.10139	7.7
99.04422	5.0
99.08081	2.3
101.06004	1.6
103.03898	1.7
105.04528	2.2
105.07005	32.9
107.04936	7.5
107.08573	29.8
109.02863	10.5
109.06506	7.3
109.10139	22.3
111.04421	16.0
111.08056	13.1
113.05973	2.3
115.05439	2.1
117.07001	10.5
119.04971	1.6
119.08558	31.3
121.06483	3.9
121.10118	31.0
123.04462	1.7
123.08044	3.1
123.11688	8.8
125.09606	4.1
127.03888	10.2
129.05450	10.0
129.06961	13.2
131.08537	24.0
133.06468	3.4
133.10092	21.8
134.10446	1.5
135.08058	1.7
135.11671	18.2
137.09543	1.6
137.13243	2.4
141.06944	2.9
142.07764	2.8
143.08539	5.5
145.04836	1.3
145.06442	2.5
145.10120	12.7
147.08012	5.5
147.11667	21.4
149.09596	7.1
149.13210	6.4
151.11108	1.3
153.12688	4.3
155.08488	3.8
157.10098	16.0
159.08054	2.1
159.11665	5.8
161.13216	5.3
163.11177	6.1
163.14822	2.5
165.12698	5.2
169.10133	1.3
171.11705	4.8
173.09557	3.1
173.13199	6.2
175.11134	11.5
175.14822	2.4
177.12703	1.5
181.10153	1.4
181.12241	4.9
183.06479	1.5
183.11597	2.3
184.07399	3.0
185.13231	2.9
187.14757	1.9
191.10628	4.1
193.10371	2.2
193.12202	39.9
195.13898	1.3
197.13145	2.5
199.11151	1.7
201.16368	1.9
205.12112	1.9
211.13242	63.4
227.12640	8.3
229.14316	5.9
243.21011	2.1
245.33081	1.4
249.14870	1.4
259.20605	2.1
261.22058	11.5
261.42532	1.3
261.84329	1.3
265.05267	1.6
267.15854	12.2
277.21716	1.7
279.23172	1.6
282.06796	1.3
283.06229	13.0
283.15314	5.1
285.16873	21.3
301.07379	8.8
301.21631	1.7
309.16458	1.5
317.24649	2.4
324.08936	2.4
333.15097	2.9
335.25726	63.2
336.26276	1.5
337.27200	4.0
351.23181	3.0
355.17459	5.3
369.24097	6.6
377.27884	1.4
387.25211	2.6
405.26114	3.5
411.20154	3.4
419.27637	1.8
427.19766	1.7
429.21097	14.3
443.27963	2.6
453.33447	2.0
461.28592	4.0
479.29959	3.7
497.30838	2.0
527.37225	12.4
533.69055	1.4
543.37134	1.6
545.38226	71.2
546.38428	3.7
653.40186	4.3
671.41327	6.1
689.42456	32.3
690.42578	1.7
707.42810	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	706.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94155	0.1
52.69638	0.1
56.05015	0.5
57.07073	0.1
58.06610	0.6
60.08150	6.1
67.56946	0.1
69.32079	1.1
70.06549	0.1
71.07360	2.6
71.08605	0.1
81.07033	0.1
83.08566	0.1
86.09686	28.7
87.04422	0.1
87.10009	0.3
91.05432	0.1
97.93410	0.1
98.98441	2.3
98.99026	0.2
104.10722	2.3
105.07015	0.1
124.99977	18.7
130.03824	0.1
143.00974	0.2
145.18391	0.1
179.70010	0.1
181.26878	0.1
184.07298	100.0
185.07651	1.2
269.92059	0.1
308.20721	0.1
427.28760	0.1
496.34137	0.2
706.46387	9.0
707.46826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.5
53.03940	9.7
55.01870	8.9
55.05499	28.7
57.03428	18.1
57.07053	3.1
61.02905	3.6
65.03925	4.0
67.05492	76.9
69.03413	22.1
69.07055	20.9
69.94133	6.5
69.94549	3.1
71.04991	9.3
73.02899	3.3
79.05479	49.7
81.03405	100.0
81.07043	77.1
82.03733	2.6
82.07368	1.5
83.04969	28.6
83.08602	29.2
85.02888	24.7
85.06528	3.2
86.09710	2.2
87.91084	1.4
91.03934	2.3
91.05462	46.6
91.05997	2.9
91.43620	1.4
91.84187	1.6
93.07029	59.6
95.04948	35.4
95.08591	46.9
95.09052	1.5
96.08952	1.8
97.02874	17.8
97.06534	9.3
97.10152	9.2
99.04443	7.3
99.08057	1.8
103.03957	1.6
105.04488	2.3
105.07010	37.9
106.07376	1.6
107.04941	10.0
107.08573	31.4
108.64912	1.5
109.02866	10.5
109.06497	9.7
109.10126	22.3
111.04433	17.7
111.08048	11.9
113.05972	3.2
115.05405	2.1
117.06985	14.7
119.08556	36.1
121.06506	7.2
121.10117	27.8
123.04443	2.3
123.08044	4.8
123.11705	8.7
125.09613	5.5
127.03896	9.8
129.05502	8.1
129.06985	19.3
131.08542	27.0
133.06480	5.0
133.10120	21.7
135.08012	4.5
135.11662	16.4
137.09561	4.6
137.13231	1.7
139.11128	1.8
141.06956	2.6
142.07716	2.8
143.08563	7.9
145.10094	15.8
147.04411	2.4
147.08022	6.1
147.11661	25.6
149.09602	8.9
149.13243	6.0
151.11134	1.8
153.12712	4.2
155.08562	4.5
157.10106	18.6
159.11655	9.6
161.09558	2.8
161.13300	4.2
163.11133	7.7
165.12762	5.2
169.10117	4.6
171.11687	7.1
173.09654	5.1
173.11916	1.9
173.13234	8.6
175.11107	13.2
175.14893	1.9
177.12772	2.6
181.10114	3.0
181.12221	6.1
183.11671	3.2
184.07339	5.5
185.09689	2.3
185.13254	7.1
187.11046	1.6
187.14854	4.3
189.11256	2.4
191.10638	5.0
193.12198	43.9
195.11771	2.1
195.13820	2.3
197.13135	1.7
199.14827	1.8
201.12595	1.8
201.16429	1.8
211.13237	57.7
212.13553	2.3
221.13332	2.1
227.12627	12.6
229.14297	5.7
243.21001	2.5
249.14757	2.1
259.20560	2.2
261.22137	9.8
267.15894	21.1
273.18417	1.6
273.21985	1.5
275.20129	2.1
277.21597	2.9
283.06332	5.1
283.15372	4.1
285.16913	25.2
301.07428	2.0
301.16537	2.3
301.21756	1.7
303.23224	2.4
317.24768	2.7
333.15051	8.2
334.15448	2.0
334.28894	1.7
335.25757	34.9
336.26141	2.8
337.27298	5.9
351.23007	3.8
355.17349	2.8
367.30530	2.1
369.24100	7.1
387.25262	4.6
405.26154	4.3
411.20123	2.1
427.19211	1.7
429.21170	17.1
435.32291	2.1
443.27844	5.6
453.33615	2.3
461.28976	3.9
479.30219	3.6
527.37476	11.5
545.38269	58.3
546.38141	4.4
561.37836	2.1
563.39349	2.6
569.37817	2.0
611.38666	2.5
629.39911	2.3
635.39349	2.3
653.40723	9.4
671.41492	8.7
689.31738	2.4
689.42407	27.2
690.42810	1.7
707.43140	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	706.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53292	0.4
55.01863	3.6
55.05254	0.7
55.05505	10.7
56.51411	0.4
57.03427	11.4
57.07077	0.5
58.26623	0.4
59.04993	0.8
61.02917	1.0
63.79249	0.4
65.03927	1.1
67.05495	16.9
67.12167	0.4
69.03415	4.4
69.07051	5.5
70.88740	0.9
71.04988	3.3
73.02908	0.7
79.05483	17.8
81.03407	82.3
81.07047	21.9
81.07421	0.3
82.03732	0.9
83.01326	0.6
83.04971	9.5
83.08609	21.6
85.02415	0.7
85.02898	12.3
85.06531	2.1
86.09697	0.6
87.04446	0.5
91.05466	23.9
93.06537	0.3
93.07030	14.9
95.04958	25.3
95.08592	9.4
97.02875	4.8
97.06527	3.2
97.10154	6.6
99.04439	1.2
99.08082	1.1
101.05040	0.4
103.05437	0.5
105.07018	18.5
106.07323	0.6
107.04948	7.6
107.08578	9.9
109.02859	1.8
109.06503	5.5
109.10142	5.0
111.04437	3.6
111.08067	10.2
113.05991	1.0
115.05451	1.6
116.14803	0.4
117.06991	3.1
119.04933	2.1
119.08561	17.2
121.06484	3.5
121.10124	9.8
123.04404	2.2
123.08047	3.7
123.11691	1.6
124.99931	0.6
125.05982	0.7
125.09608	4.7
127.03896	1.2
127.07500	0.5
129.05531	0.8
129.06990	11.1
131.04865	0.8
131.08549	11.8
133.06490	3.3
133.10123	9.4
135.08015	2.2
135.11635	2.9
137.05969	1.7
137.09624	2.9
139.03914	1.3
141.07004	0.8
142.07748	1.9
143.08548	1.5
145.06483	3.6
145.10092	4.0
147.04379	1.7
147.08034	4.8
147.11668	12.4
149.05965	0.5
149.09596	6.4
149.13191	0.6
151.03867	1.0
151.07452	0.6
151.11211	1.6
153.05496	0.6
153.09039	0.7
153.12708	1.1
155.08533	0.9
157.06483	0.7
157.10106	13.1
159.08044	1.0
159.11673	1.6
161.05980	0.7
161.09633	1.1
161.13222	0.6
163.11151	3.3
165.05534	0.5
165.09079	0.7
165.12701	2.9
167.08574	0.6
169.10097	1.3
171.02924	0.5
171.08015	1.2
171.11635	0.9
173.09615	0.9
173.13249	1.0
175.11171	13.0
175.14867	0.6
177.05452	0.7
177.12663	0.6
179.06927	0.5
179.08521	0.4
181.10149	0.9
181.12283	0.5
183.08180	0.5
183.11697	0.6
184.07320	2.1
185.09595	0.6
185.13177	0.4
187.11192	1.0
187.74648	0.5
189.09271	0.7
189.11171	1.2
189.12701	1.0
191.10687	0.8
193.12222	36.7
194.12450	0.6
195.11678	1.7
197.13219	1.1
203.10724	0.4
205.12209	1.2
209.11597	0.6
209.13370	0.7
211.11374	0.9
211.13254	18.6
213.12753	0.5
217.12248	0.5
225.12762	0.6
227.12637	2.4
229.14229	1.2
231.13614	0.4
233.15355	1.3
235.13326	0.5
237.12674	0.8
237.14838	0.4
241.92184	0.4
249.14764	2.2
255.13831	1.9
267.15878	100.0
268.16098	2.2
273.07666	0.8
273.14832	4.0
283.15323	3.8
285.16937	18.3
287.16367	0.5
299.15067	1.2
301.16473	1.3
309.16806	0.5
339.23380	1.0
341.21115	1.3
349.21582	2.9
349.60400	0.4
357.24146	0.9
367.22583	8.7
368.23102	0.5
385.23660	10.6
403.24805	2.9
405.24164	0.9
415.25037	0.8
421.26132	0.7
433.25821	13.3
433.31454	0.8
441.26254	6.8
459.27359	75.6
460.27527	3.3
465.31827	0.5
473.25330	0.5
477.28430	49.3
478.28714	1.8
491.25894	3.3
495.29257	1.2
501.28302	0.5
509.26843	4.2
519.29382	1.1
552.19299	0.7
608.80151	0.6
608.89191	0.5
629.34613	0.5
706.34259	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
53.81824	0.5
55.01865	6.9
55.05506	16.9
55.25256	0.5
57.03431	13.0
57.07053	2.1
59.04983	1.9
61.02913	2.7
65.03918	2.1
65.76917	0.5
67.05496	35.0
67.55732	0.5
68.05814	0.5
69.03417	4.5
69.06724	0.5
69.07063	9.5
71.01337	1.1
71.04982	3.3
71.62899	0.8
72.04453	0.6
73.02907	2.9
77.03896	0.8
79.05480	39.8
81.03407	43.1
81.07048	30.9
82.04176	0.8
82.07367	0.6
83.01322	2.9
83.04972	13.1
83.08605	14.9
85.02900	6.7
85.06549	3.1
86.09702	1.1
87.04440	0.8
91.03946	1.1
91.05469	30.2
92.05791	0.9
93.07030	40.0
94.07323	0.6
95.04954	21.8
95.08592	18.4
97.02881	6.8
97.06519	7.1
97.10156	6.4
98.07310	0.6
99.04444	2.5
99.08098	1.4
101.02366	0.5
102.80089	0.5
103.05412	0.6
105.03406	0.7
105.04506	0.8
105.07018	21.4
107.04945	11.0
107.08576	19.9
108.08862	0.6
109.02866	1.5
109.06500	6.9
109.10142	11.4
111.04424	4.4
111.08051	5.7
113.05996	0.8
115.05412	1.5
116.04693	3.3
117.06991	7.2
119.04929	1.4
119.08566	18.5
121.06483	4.6
121.10124	9.6
123.04406	1.7
123.08062	7.4
123.11729	0.9
125.00007	1.3
125.05947	1.1
125.09620	6.5
127.03887	0.8
127.07542	1.0
128.06221	1.0
129.05486	6.3
129.06990	10.6
130.07771	1.3
131.04951	0.5
131.08554	7.6
133.06467	2.0
133.10103	9.3
135.04408	0.6
135.08061	3.6
135.11673	12.0
137.09604	2.4
139.03853	0.6
139.07529	0.6
141.09082	0.6
142.07823	0.9
143.07001	2.0
143.08548	4.6
145.06424	1.0
145.10100	15.1
146.10468	0.7
147.04382	1.5
147.07999	4.9
147.11664	19.2
149.09593	4.0
151.03880	0.6
151.11185	1.7
153.01790	0.9
153.09013	0.8
153.12682	3.0
155.08543	1.4
157.08615	3.0
157.10123	5.8
158.05696	0.9
159.11687	0.7
161.09575	1.8
161.13283	4.2
163.11169	20.8
165.09105	1.2
165.12703	1.1
171.10207	1.1
171.11632	7.6
173.09596	2.5
173.11745	1.6
173.13191	0.6
175.11131	4.5
177.05438	1.0
177.12886	0.6
181.12212	3.5
184.07318	5.6
189.09140	0.8
189.11171	2.0
189.12752	3.5
191.10620	3.1
193.12207	11.6
194.12602	0.7
199.13339	2.7
199.97508	0.6
200.14040	0.9
205.12251	0.7
207.13780	9.2
209.11694	7.3
210.12421	0.8
211.13295	2.4
223.13173	0.8
227.12758	18.8
228.13071	0.9
229.14267	4.0
249.14792	1.1
255.15916	0.6
256.14645	0.6
265.14319	2.2
267.15878	38.6
268.16223	0.7
273.14908	0.6
281.17432	37.0
282.17688	0.7
283.15366	42.0
284.15790	2.2
285.16974	2.3
297.16959	0.7
299.14902	2.2
301.16422	21.8
302.16901	0.9
337.16364	0.8
358.81372	0.6
383.22070	0.8
390.06976	0.5
400.25259	0.5
421.25311	0.8
425.25363	2.0
437.25253	6.2
447.27051	0.9
459.27328	1.0
473.28964	100.0
474.29532	3.8
475.26941	3.0
477.28503	2.3
491.25586	4.4
492.27347	1.8
495.29721	0.7
509.27328	33.1
510.27756	2.1
515.29901	1.9
527.28351	4.0
581.30334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71494	0.6
53.03936	2.6
55.01620	1.3
55.01863	17.0
55.05503	24.5
57.03429	21.1
57.03686	0.5
57.07069	1.9
59.04982	2.8
60.08166	4.4
61.02911	5.9
65.03925	1.1
66.18113	0.8
67.05492	30.7
67.75716	0.9
69.03421	5.3
69.07059	7.9
69.56368	7.0
71.01339	2.1
71.04971	5.1
71.07354	1.6
73.02912	5.4
77.03913	1.1
79.05479	32.4
81.03404	27.8
81.07045	28.1
82.04185	4.4
82.77534	0.8
83.01323	8.8
83.04964	17.9
83.08609	17.9
84.02106	1.9
84.05758	1.1
85.02892	10.1
85.06528	2.9
86.09689	24.0
91.03938	2.7
91.05467	25.2
93.07026	32.6
93.85927	0.8
94.04163	0.9
95.04956	21.0
95.08591	13.0
96.05760	0.9
97.02876	8.8
97.06514	8.4
97.10156	11.4
98.07275	4.5
98.98450	1.9
99.04459	4.0
99.08077	1.8
103.05421	0.8
104.10731	1.5
105.07009	15.5
107.04269	1.4
107.04938	13.6
107.08576	18.3
109.06500	9.0
109.10141	6.8
111.04440	4.2
111.08060	5.3
113.06021	1.1
116.04699	9.6
117.07004	8.7
119.08558	14.1
121.06492	5.2
121.10106	8.7
123.04426	1.4
123.08044	11.4
124.99982	14.4
125.05971	1.7
125.09610	14.2
129.05457	26.7
129.06906	5.2
131.08539	7.0
133.10091	6.3
134.07332	0.9
135.08002	4.0
135.11681	15.1
136.08772	1.9
137.09578	3.3
143.07014	5.3
143.10669	1.6
145.10083	16.2
146.07224	1.1
147.07999	3.1
147.11684	7.4
149.09558	2.0
151.11122	1.0
153.09100	1.7
153.12674	4.5
155.08496	1.5
157.08574	12.7
157.10085	3.6
158.05815	1.8
163.11145	27.9
165.09077	1.1
165.12723	2.2
171.06564	1.5
171.10124	5.0
171.11507	1.8
173.09622	4.2
173.11792	2.4
175.11159	3.1
181.12177	5.7
184.07315	68.9
185.07813	0.9
185.11679	1.1
189.11165	7.3
191.10638	4.4
193.12212	5.3
199.09671	0.9
199.13280	6.6
200.14041	2.2
201.14861	1.5
209.11659	13.3
210.12386	1.8
211.13223	1.9
213.14972	1.1
223.13303	1.1
227.12753	17.3
228.13364	1.0
229.14247	2.2
255.15810	2.1
265.14334	3.2
267.15845	17.0
281.17416	2.9
283.15347	98.1
284.15851	6.0
285.17032	1.8
295.15616	1.1
301.16406	84.0
302.16675	3.0
337.16385	3.7
365.19629	1.5
383.21799	1.0
401.23328	1.0
407.23889	1.7
412.76288	0.8
421.25354	1.1
425.25262	3.1
436.24750	1.5
437.25180	8.4
457.25940	3.2
473.29163	8.6
474.25577	1.3
475.27008	10.9
476.26660	1.2
477.28720	2.0
478.43549	0.9
491.25470	4.4
492.27029	6.4
509.27386	100.0
510.27606	9.7
527.27954	1.0
628.26294	1.0
656.35419	13.0
704.48651	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01869	1.6
55.05508	3.1
56.05029	0.6
57.03429	1.7
57.07071	0.3
58.06618	0.6
59.04988	0.5
59.07401	0.2
60.08158	6.2
61.02913	0.8
62.92073	0.2
64.73996	0.1
65.03925	0.3
67.05497	5.5
69.03410	0.7
69.07064	1.4
71.01363	0.3
71.04982	0.7
71.07368	2.9
71.62547	0.2
73.02907	0.5
79.05485	5.5
79.05949	0.3
81.03409	4.8
81.07045	5.1
82.04207	0.2
83.01324	0.7
83.04971	2.5
83.08606	2.2
85.02886	1.5
85.06532	0.6
86.09695	31.0
87.04480	0.2
87.10014	0.2
91.03933	0.4
91.05474	4.7
93.07035	5.1
95.04958	2.8
95.08597	2.6
97.02879	1.5
97.06541	1.2
97.10143	1.3
98.98454	2.4
99.04441	0.4
101.05996	0.3
104.10730	3.0
105.07012	3.0
107.04937	1.8
107.08584	3.3
108.03345	0.2
109.02879	0.4
109.06494	1.3
109.10141	2.5
111.04414	0.6
111.08056	0.7
116.04694	0.4
117.06989	1.2
119.08573	2.7
121.06495	0.5
121.10130	1.5
123.08079	1.0
123.11713	0.2
124.99989	20.2
125.05982	0.2
125.09620	1.2
129.05460	0.7
129.06973	1.4
130.07791	0.2
131.08554	1.5
133.06459	0.2
133.10104	2.0
134.90063	0.2
135.08047	0.6
135.11670	1.4
137.09601	0.4
142.07742	0.3
143.00996	0.3
143.06990	0.2
143.08563	0.4
145.05035	0.2
145.06444	0.2
145.10106	2.2
147.04454	0.2
147.08051	0.4
147.11682	1.9
149.09587	0.7
151.11194	0.5
153.12741	0.8
155.08546	0.2
157.08646	0.3
157.10098	0.5
161.09586	0.3
161.13226	0.3
163.11168	3.6
165.12764	0.3
171.11687	0.6
173.09604	0.5
173.11740	0.5
175.11142	0.4
177.05341	0.2
181.12202	0.7
184.07317	100.0
185.07570	0.6
189.11169	0.3
189.12746	0.3
191.10626	0.5
193.12187	0.8
199.13257	0.5
207.13751	0.7
209.11679	1.4
211.13188	0.3
227.12708	2.0
229.14334	1.3
253.14340	0.6
255.15825	0.3
263.12512	0.2
265.14264	0.3
267.15918	2.9
281.17487	1.4
283.15350	7.5
284.15836	0.2
285.16943	1.1
301.16464	2.4
433.51956	0.2
437.25217	1.2
455.27579	0.2
459.27313	0.4
463.26822	0.2
473.28943	2.9
477.28113	0.6
491.30469	3.2
509.27274	4.4
510.26895	0.2
512.04584	0.2
527.28522	1.5
546.83710	0.2
656.35486	16.6
657.35852	1.3
717.94141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
55.01866	6.5
55.05502	22.9
57.03428	9.9
57.07056	2.1
59.04972	1.3
61.02923	9.9
62.25848	0.7
65.03926	2.2
67.05493	40.3
68.05824	1.1
69.03075	1.0
69.03417	11.6
69.07060	11.9
69.58584	4.6
71.01346	1.1
71.04978	6.6
73.02908	5.2
77.03910	0.8
79.05479	30.0
80.05811	1.5
81.03403	35.7
81.07042	32.7
83.04971	10.9
83.08137	0.9
83.08606	13.5
85.02415	1.1
85.02893	14.7
85.06532	3.5
86.09687	1.0
87.04459	0.8
91.03953	5.6
91.05466	32.2
92.05810	1.4
93.07031	29.8
93.07619	1.7
95.04955	15.3
95.08595	20.4
95.09155	1.5
96.05278	1.0
96.08916	1.0
97.02870	12.5
97.06517	4.8
97.10160	11.2
99.04436	2.8
99.08077	1.9
101.02346	1.2
103.03953	0.8
105.07013	26.9
106.07290	0.8
107.04945	6.7
107.08579	16.2
108.08950	0.9
109.02878	5.6
109.06518	4.1
109.10138	14.1
111.04439	5.0
111.08051	5.7
115.05421	1.7
116.16013	0.7
117.06998	13.3
117.07795	0.5
119.04936	0.9
119.08562	24.5
121.06491	5.6
121.10123	11.5
123.04407	1.1
123.08054	3.8
123.11655	3.8
125.09615	5.9
127.03904	4.4
128.06206	3.1
129.05457	2.0
129.06981	13.1
131.04897	1.1
131.08540	18.7
132.08960	0.8
133.06461	2.8
133.10107	16.5
134.10484	1.1
135.08028	5.1
135.11678	6.7
137.05901	1.1
137.09598	3.0
141.06961	5.7
142.07764	2.5
143.08537	12.7
145.06477	3.3
145.10101	15.4
146.29767	0.7
147.08022	2.7
147.11658	12.8
147.12756	0.9
149.09592	4.5
149.13283	3.8
151.11168	1.3
153.07019	1.0
153.09076	1.6
153.12694	1.5
155.08508	6.8
157.06471	1.1
157.10101	15.3
157.11288	1.3
159.08051	3.4
159.11676	12.8
161.09651	3.0
161.13245	5.8
163.11165	4.6
165.06937	1.2
165.12787	1.5
166.07796	0.9
167.08562	3.1
168.09326	1.5
169.10094	7.7
171.08032	2.1
171.11647	10.7
173.04414	3.6
173.05815	0.7
173.09595	3.4
173.11763	2.0
173.13254	8.1
175.11197	5.1
175.14867	1.7
177.12666	1.0
179.08537	2.2
181.10123	4.8
181.12186	2.9
182.10703	0.8
183.11650	7.4
184.07330	4.6
185.09607	3.1
185.13231	6.8
187.07547	0.8
187.11270	1.3
187.13306	0.8
187.14781	3.6
189.09334	0.9
189.11232	3.0
189.12762	2.6
191.10716	2.5
193.10306	1.5
193.12190	10.8
195.11641	4.6
197.09647	1.5
197.13197	5.5
199.11246	1.8
199.14780	4.0
201.12698	2.3
201.16423	0.9
207.11771	1.7
207.13692	1.0
209.13312	3.9
211.11293	1.7
211.13278	10.2
211.14931	1.6
213.12859	1.2
213.16389	1.2
221.09532	1.0
221.13315	1.9
223.14851	3.1
225.16353	0.8
227.12668	6.2
229.14261	3.8
229.19337	0.9
233.13239	1.2
235.14835	1.2
237.12645	1.2
237.16402	1.2
239.18002	1.1
241.15868	1.2
241.19493	3.3
243.15872	1.1
247.14743	1.0
247.17014	1.1
249.14789	0.9
251.17857	0.9
257.19019	1.3
259.20505	7.0
261.21768	0.8
267.15845	7.5
271.17136	1.0
273.18488	1.1
275.20038	1.7
281.17337	1.1
283.15509	1.1
283.20523	2.5
285.16779	4.1
287.20145	1.1
288.95343	0.8
297.22220	2.6
299.20502	0.8
299.23587	4.0
301.21545	2.1
311.20117	1.7
311.23615	0.8
315.23221	1.9
325.21503	1.3
327.23129	1.2
333.24237	6.8
338.79749	0.8
339.23102	2.1
343.22748	1.7
349.23590	1.2
357.24149	2.1
367.22739	2.8
371.25983	0.8
385.24094	1.7
403.24680	1.8
410.25995	0.9
415.30011	1.8
421.25754	4.1
423.32645	1.0
429.21198	3.0
433.30875	4.4
435.27301	3.8
443.28006	1.0
451.31900	7.8
459.27313	4.9
469.33029	3.8
476.30865	2.5
477.28522	2.0
507.34616	1.6
515.37402	1.8
525.35657	23.6
541.35022	2.6
543.36737	100.0
544.37109	1.5
555.36646	1.4
559.34534	1.4
561.35840	1.0
585.37659	2.9
609.37909	1.5
615.37262	1.1
627.39093	0.9
633.38037	2.4
639.38239	1.1
651.38708	6.6
669.40106	7.1
687.40814	10.0
705.42212	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	705.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03933	1.9
55.01860	3.3
55.05503	12.5
57.03426	5.0
57.07064	1.5
59.04977	0.9
61.02636	0.8
61.02917	9.7
61.99923	0.6
65.03915	1.4
67.05492	23.8
69.03069	0.8
69.03417	9.2
69.07059	6.9
69.07730	0.5
71.04973	3.3
71.08609	0.8
73.02905	5.1
74.69188	0.5
75.19223	0.6
79.05477	17.3
81.03403	19.2
81.07043	19.5
83.04970	4.7
83.08601	8.2
85.02890	11.0
85.06521	0.9
86.09682	1.1
91.03941	5.0
91.05465	16.8
93.07029	17.5
95.04963	9.1
95.08593	11.9
95.09161	1.2
97.02876	10.6
97.06489	3.3
97.10152	6.1
98.20672	0.9
99.04449	2.3
99.08089	0.8
101.02373	1.1
103.05424	0.7
105.07018	17.1
107.04942	3.5
107.08578	9.9
109.02847	3.6
109.06512	2.4
109.10137	8.9
111.04442	3.2
111.08057	2.9
115.05437	1.2
117.07008	8.2
119.04926	0.8
119.08565	14.3
121.06496	2.8
121.10124	7.1
123.08039	2.3
123.11697	1.8
124.99980	0.8
125.09610	5.1
127.03922	2.7
128.06204	1.5
129.05458	1.4
129.06981	9.3
131.04904	0.7
131.08545	15.3
133.06468	2.2
133.10109	9.4
135.08057	2.7
135.11684	4.9
137.09634	0.9
141.06976	3.5
142.07753	1.2
143.08531	8.2
144.09262	0.7
145.06480	2.0
145.10100	11.7
147.08046	2.1
147.11674	7.4
149.09586	2.7
149.13255	1.0
153.09102	0.7
153.12770	0.8
155.08554	4.9
156.09250	0.9
157.10081	9.1
159.08041	2.6
159.11650	8.4
161.09616	1.5
161.13205	4.1
163.11157	2.1
163.14856	0.8
165.12723	0.8
167.08566	2.1
169.10086	5.2
171.08028	1.4
171.11668	7.4
173.04448	2.0
173.09616	2.8
173.11852	1.3
173.13234	6.0
175.11176	3.6
175.14813	2.4
179.08534	0.8
181.10110	3.3
181.12193	0.8
182.10765	0.8
183.11674	5.3
184.07318	3.4
185.09601	1.7
185.13185	5.3
187.11177	1.3
187.14804	2.0
189.11212	2.3
189.12775	1.2
191.10654	0.9
193.10371	1.0
193.12193	6.4
195.11591	2.8
197.09546	0.9
197.13225	5.0
199.11113	0.9
199.14821	2.3
201.12761	1.2
203.14203	1.0
205.09897	0.7
207.11694	1.3
209.13286	2.5
211.11282	1.1
211.13261	6.5
211.14906	1.7
213.12830	1.1
213.16425	1.2
215.14551	0.7
219.11752	1.1
219.13873	0.7
221.13277	1.4
223.14859	1.3
224.12241	0.7
225.12804	1.3
227.12679	3.9
227.17940	0.6
229.14252	2.1
229.31395	0.6
232.31938	0.7
235.14870	0.7
237.16463	1.0
239.17982	0.9
241.19585	2.4
243.15834	1.1
249.16519	1.0
259.20572	5.2
267.15952	2.2
269.18848	0.6
271.20526	0.8
275.20270	0.7
277.21716	0.9
281.19305	0.6
281.22748	0.7
283.20633	2.1
285.16736	2.9
297.22156	1.7
299.20593	1.0
299.23740	4.0
301.21588	1.1
309.22058	0.7
313.21786	1.4
315.23206	0.9
325.21582	0.7
329.21234	0.7
331.22794	0.7
333.24231	4.1
339.23224	1.7
343.22781	0.8
357.24127	1.1
367.22672	1.3
371.25992	0.7
375.25665	0.8
385.23599	1.0
387.25305	0.7
403.24722	1.2
415.29944	1.3
417.26123	0.9
421.25766	2.4
423.32849	0.9
429.21008	1.8
433.31085	4.4
435.27451	2.8
451.32114	7.9
468.60669	0.6
469.33377	2.8
475.32651	0.7
487.33978	1.2
490.21286	0.7
507.34680	2.3
515.37256	1.7
525.35638	21.7
526.36011	0.9
541.34576	1.3
543.36737	100.0
544.37097	3.5
555.49036	0.7
559.36206	0.9
567.36310	1.7
585.37640	1.7
609.37360	0.8
633.37994	1.2
651.38721	4.7
669.40222	4.7
687.40735	6.9
705.32117	34.2
705.42328	11.9
706.32239	3.8
706.42676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62247	0.8
53.03925	4.2
54.79731	0.8
55.01870	6.2
55.05503	21.7
57.03432	10.0
57.07066	2.0
61.02683	0.8
61.02921	9.9
62.90822	0.8
65.03927	1.5
67.05495	39.6
68.05825	1.1
69.03066	1.1
69.03417	13.8
69.07057	13.8
70.02722	3.8
71.04977	5.3
73.02892	6.0
79.05482	32.6
81.03406	46.6
81.06564	1.9
81.07047	38.4
82.03745	1.4
82.07375	1.3
83.04968	13.5
83.08608	16.3
85.02894	13.9
85.06528	3.1
86.09690	3.0
87.71816	0.8
91.03951	5.2
91.05466	37.0
93.07030	36.7
94.07337	1.0
95.04958	16.9
95.08065	0.9
95.08591	25.0
96.08924	1.0
97.02885	15.5
97.06525	6.7
97.10150	8.0
99.04446	3.4
99.08057	1.5
101.02393	1.4
105.07016	34.2
107.04948	5.4
107.08582	22.9
109.02872	6.6
109.06496	4.5
109.10139	14.0
111.04419	7.5
111.08072	5.6
112.07615	6.9
115.03928	0.9
115.05431	3.2
117.06996	16.1
119.08562	28.0
121.06482	3.6
121.10125	16.4
123.08043	3.5
123.11680	2.8
124.99997	1.5
125.05952	1.1
125.09589	7.3
126.10002	0.9
127.03900	6.1
128.06221	3.6
129.05486	4.6
129.06979	17.2
130.07742	1.4
131.08551	22.9
133.06500	3.1
133.10120	18.9
135.08043	4.9
135.11667	9.6
137.05962	2.2
137.09598	3.4
141.06967	4.6
142.07732	3.5
143.08542	12.8
145.06479	3.6
145.10101	16.4
147.08034	3.8
147.11664	18.5
149.02278	1.8
149.09575	3.8
149.13231	3.8
151.11150	1.0
153.07019	1.6
153.12679	2.0
155.08527	7.0
156.09351	1.0
157.06422	1.6
157.10106	14.0
159.08015	3.5
159.11681	14.9
161.09543	1.3
161.13235	7.2
163.11171	6.4
163.14827	2.3
167.08534	4.1
168.09212	1.2
169.10095	8.3
170.10793	1.1
171.08018	2.8
171.11662	11.8
173.04448	4.6
173.09573	3.5
173.13232	9.5
175.11176	5.4
175.14796	2.9
177.12733	1.0
181.10078	4.8
181.12198	4.0
183.07997	1.2
183.11626	6.4
184.07320	7.5
185.09576	2.1
185.13219	8.3
187.11183	3.1
187.13191	1.0
187.14818	3.1
189.11143	3.3
189.12749	2.4
191.10646	2.8
193.10355	1.5
193.12202	12.0
195.11693	4.9
197.09619	1.4
197.13239	3.7
199.11133	2.2
199.14786	3.8
201.12770	2.0
201.16327	1.4
203.14247	1.1
207.11642	2.4
208.12268	1.1
209.13261	3.1
211.11319	1.6
211.13185	16.7
211.14742	1.3
213.12709	2.1
213.16368	2.0
215.14331	1.5
217.15932	1.2
221.13272	1.8
223.14777	2.4
225.12746	1.1
227.10793	1.5
227.12569	5.4
229.14297	2.7
231.20984	1.6
235.14958	1.5
237.12743	1.3
237.16422	1.6
241.19495	8.1
255.13663	1.1
257.18881	2.1
259.20551	16.2
261.22147	2.1
265.19687	1.0
267.15836	6.8
269.17349	1.0
271.20438	1.1
275.20078	3.1
277.21817	0.9
283.15454	2.9
283.20450	1.7
285.16980	5.2
285.22144	0.9
297.22061	3.0
299.20447	1.0
299.23495	4.3
301.21625	2.1
309.21902	1.0
311.20004	1.6
313.21652	1.4
315.23114	3.4
321.21893	1.5
325.21527	1.7
333.24222	13.5
335.25925	1.9
337.21613	1.7
339.23154	2.5
343.22610	1.3
349.21490	2.0
355.17334	1.5
357.24094	2.2
367.22516	4.2
369.24014	1.7
385.23679	1.8
403.24741	1.6
405.31302	1.1
415.29669	1.7
417.26187	1.5
421.25586	2.7
423.25476	1.0
427.28391	1.1
429.21182	6.8
433.31073	5.5
435.27216	3.2
441.26404	1.6
441.33167	1.0
451.32126	6.9
459.27396	3.7
469.32822	3.9
477.28296	2.1
507.34503	1.9
515.37195	2.8
525.35736	23.5
526.35699	1.4
543.36731	100.0
544.24457	1.1
544.37134	5.6
555.36438	1.2
559.35626	1.3
567.36829	1.8
585.37421	3.6
609.37823	1.5
633.37170	1.9
639.38544	1.6
651.38727	7.4
669.39484	8.2
687.40875	14.1
705.41870	22.3
706.42218	1.7
709.52057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.3
51.02374	0.6
53.03920	0.9
55.01860	2.4
55.05487	1.0
57.82077	0.3
58.40783	0.3
65.03925	2.1
67.05495	2.5
68.99776	1.2
69.03407	1.2
69.07034	1.1
71.04986	0.3
71.62805	0.5
77.03909	0.3
79.05479	5.1
79.48074	0.3
81.03405	1.5
81.07050	2.0
82.04151	0.4
83.01310	0.3
83.04955	1.0
85.02886	2.3
85.06509	0.3
91.05470	2.5
93.03371	1.0
93.07012	1.2
95.04947	5.9
95.08575	1.2
97.02870	1.3
97.06512	0.9
97.10142	0.9
103.05464	0.7
105.03361	1.3
105.04511	0.5
105.06980	2.3
106.07357	0.4
107.04939	13.0
107.08570	1.3
109.02846	2.1
109.06475	0.5
109.10139	0.8
110.03658	0.6
111.04427	1.8
111.08035	0.3
115.05434	0.9
117.06959	1.1
119.04917	5.7
119.08538	0.9
121.02850	0.7
121.06457	0.5
121.10114	0.9
123.04405	36.3
123.11633	0.5
124.05206	2.2
125.02254	0.4
125.05984	2.3
125.09618	0.4
127.03899	2.0
129.07018	0.4
131.04889	0.6
131.08540	0.6
133.06464	2.7
133.10100	0.7
135.04395	4.0
135.11635	0.3
137.02324	1.2
137.05934	1.2
138.03073	0.7
139.03876	15.9
139.07457	0.6
139.11150	0.5
140.04623	0.3
141.06998	0.4
142.02583	0.8
143.04878	0.6
145.06491	2.4
147.04384	19.3
148.04721	0.4
149.05957	0.4
149.13287	0.4
151.03873	100.0
152.04507	1.5
153.05417	3.0
155.07027	1.0
155.08267	0.3
157.06424	0.3
157.10110	0.4
159.11588	0.5
161.04616	0.4
161.05942	6.3
163.03883	5.2
165.05450	8.1
165.06752	0.4
165.09058	0.7
165.12729	0.4
167.07008	23.3
169.05006	0.4
169.06439	0.5
171.03001	0.3
171.06485	2.0
173.05940	5.3
175.03879	1.2
175.07530	1.1
177.05450	1.8
179.03305	0.6
179.07018	1.6
181.04921	41.8
182.05240	0.6
183.06602	0.6
183.08040	0.4
187.07523	0.9
189.05374	1.7
193.04933	4.6
193.08566	5.5
195.06485	0.3
195.08154	0.4
197.05962	0.8
199.07629	0.4
201.05429	4.6
203.06828	0.3
205.08556	3.1
206.05704	0.4
207.06477	3.8
211.07512	0.6
215.06975	1.4
217.08524	1.8
219.06477	0.4
221.05872	0.7
221.08038	11.9
225.05400	0.5
231.06505	0.4
233.08022	4.1
234.06644	0.4
237.08994	0.3
239.07069	0.8
239.21820	0.3
243.06432	1.1
249.07498	2.8
250.06227	0.3
257.08054	0.5
261.07486	0.6
267.06424	0.7
285.07471	3.1
287.05453	0.9
295.09540	0.5
303.08569	70.8
304.08884	0.9
325.10809	0.4
341.10724	0.3
372.12131	0.3
387.14313	16.0
392.45587	0.3
403.13806	57.1
404.14124	1.0
415.13797	32.6
416.14243	0.4
465.28250	0.5
466.28415	0.7
471.49609	0.3
641.67957	0.3
694.06323	0.3
705.52905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.1
56.05033	0.6
57.07051	0.3
58.06615	0.5
59.07372	0.1
60.08152	7.3
64.58788	0.1
67.05492	0.5
69.07066	0.2
70.06599	0.2
71.07361	3.4
71.08621	0.1
79.05469	0.2
80.97433	0.1
81.07049	0.4
83.04967	0.1
83.08624	0.2
86.09692	34.2
87.10000	0.3
91.05457	0.2
93.07017	0.4
95.04934	0.2
95.08595	0.5
98.98447	3.2
104.10729	3.6
105.07017	0.2
107.08588	0.2
109.10126	0.2
112.70406	0.1
117.06987	0.1
119.08571	0.2
121.10126	0.1
124.99984	21.5
135.11641	0.2
143.01054	0.4
145.10126	0.2
159.11678	0.1
163.11171	0.2
166.02693	0.2
184.07310	100.0
185.07687	0.9
203.89360	0.1
227.12688	0.2
230.04503	0.1
357.21399	0.1
372.08295	0.1
407.77487	0.1
424.88968	0.1
448.20984	0.1
466.21353	0.1
496.33920	0.2
575.51038	0.1
632.48755	0.1
704.44836	18.0
705.45135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57404	0.1
56.05029	0.5
57.07055	0.2
58.06623	0.5
59.07384	0.1
60.08157	6.1
62.32684	0.1
67.05484	0.2
69.07026	0.1
70.95764	0.2
70.96139	0.1
71.07368	2.7
79.05459	0.1
80.97444	0.1
81.07043	0.2
81.11035	0.1
83.08601	0.1
85.10180	0.1
86.09695	28.6
87.10030	0.3
95.08562	0.2
98.98452	2.6
104.10726	2.1
104.11400	0.1
105.66302	0.1
109.10150	0.1
118.66817	0.1
119.08605	0.1
124.99991	18.5
143.01074	0.3
166.02629	0.2
184.07318	100.0
185.07642	1.1
211.10365	0.1
278.13574	0.1
287.51492	0.1
448.21228	0.2
489.52600	0.1
496.34113	0.1
521.37732	0.1
528.45740	0.1
648.38208	0.1
704.44904	8.7
705.45355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
53.03940	2.2
55.01866	1.7
55.05504	8.1
57.03428	3.4
57.07063	0.7
59.04980	0.6
60.08169	0.6
61.02910	1.5
61.43196	0.3
65.03931	1.1
67.05495	34.4
68.05827	0.8
69.03426	2.2
69.07060	6.5
69.50747	3.2
71.04981	12.2
73.02922	0.4
73.06546	1.3
77.03887	0.4
77.45031	0.4
79.05481	30.5
80.05824	0.4
81.03404	5.1
81.07045	46.2
82.07391	0.7
83.04969	5.4
83.08602	6.0
84.08920	0.3
85.02893	1.6
85.06530	4.4
86.09704	2.4
87.04454	0.6
91.05466	27.1
91.94993	0.3
92.05800	0.6
93.07030	30.3
94.07365	0.6
95.04954	9.2
95.08598	13.8
97.02874	1.4
97.06519	4.0
97.10151	2.2
98.98481	0.4
99.04427	0.8
99.08076	1.2
103.05496	0.7
105.04504	0.8
105.07018	18.5
106.07364	0.7
107.04941	2.7
107.07857	0.8
107.08579	12.8
108.08945	0.4
109.06506	3.4
109.10149	4.7
110.10429	0.4
111.04417	0.6
111.08051	1.8
113.06049	0.4
113.09644	0.3
115.05486	0.6
117.07004	4.5
119.08567	9.7
121.06490	2.0
121.10123	5.4
123.08056	2.7
123.11671	5.5
124.99994	1.6
125.09602	1.0
127.03912	0.7
127.07564	0.9
128.06168	0.8
129.06987	5.8
131.08551	3.3
133.10112	12.4
134.10422	0.5
135.08061	1.1
135.11674	3.3
136.12140	0.4
143.08531	3.8
145.06361	0.4
145.10091	3.8
147.08018	1.0
147.11664	13.9
149.09592	0.5
149.13216	4.7
151.11166	3.6
153.09055	0.4
156.09344	0.4
157.10143	0.5
159.11664	3.3
161.09607	2.0
161.13213	5.3
163.11205	0.5
169.10071	0.7
169.12288	0.4
171.11661	10.0
172.11859	0.4
173.04451	1.0
173.13210	0.4
177.12724	1.6
179.14250	0.5
183.11655	0.5
183.13811	1.6
184.07317	7.7
187.13304	2.0
187.14694	0.4
189.12737	3.4
193.12201	0.5
195.13774	1.2
201.14780	0.4
207.13774	7.9
225.14792	1.0
227.12643	0.3
251.16466	0.9
257.17392	0.9
269.17395	4.2
275.20096	0.8
281.17429	10.9
301.20056	6.0
403.28201	0.6
413.21628	0.4
445.24207	0.5
449.28918	23.5
450.29263	0.6
457.29272	0.7
463.30508	3.7
475.30487	100.0
476.30930	4.1
507.33182	17.8
508.33417	0.9
524.34576	0.7
541.34772	0.7
542.35620	2.7
543.36926	0.7
545.37964	0.5
619.34326	0.8
651.37524	2.5
668.38098	0.4
676.83496	0.4
686.39844	0.5
704.41022	2.3
705.40863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	1.1
52.69215	0.8
53.03930	5.2
55.01858	12.7
55.05504	22.3
57.03432	14.5
57.07066	3.4
61.02923	2.4
65.03931	2.8
67.05495	50.7
69.03406	4.9
69.07057	12.5
69.55855	1.9
69.56264	6.1
71.01350	0.9
71.04977	3.6
73.02898	4.6
73.06555	2.0
77.03938	1.0
79.05481	65.4
80.06268	1.5
81.03404	20.5
81.07044	39.9
82.04180	5.5
83.04967	18.6
83.08611	12.0
84.05756	1.1
85.02891	3.9
85.06526	2.1
86.09726	1.6
91.03942	1.1
91.05469	50.9
93.07029	62.1
94.04185	1.2
95.04958	28.0
95.08593	25.7
96.05759	1.6
97.02886	4.8
97.06520	7.2
97.10151	10.4
98.07295	7.0
98.73251	1.1
99.08102	1.9
105.04504	1.8
105.07011	35.0
106.07323	1.2
107.04934	13.4
107.08576	18.6
108.05736	1.1
109.02883	0.8
109.06482	8.5
109.10137	8.3
111.04409	3.7
111.08073	3.5
113.06007	0.9
115.05480	2.1
116.04694	10.9
117.06985	9.4
118.25863	0.8
119.08570	27.2
121.06508	6.4
121.10143	6.8
123.08042	7.5
125.09598	10.2
127.07539	2.0
127.11146	1.8
128.06223	2.2
129.05470	26.2
129.06961	17.1
130.07703	1.0
131.08545	6.0
133.06525	1.7
133.10117	13.3
135.08043	3.4
135.11661	6.0
136.08878	1.2
137.09613	2.2
139.07503	0.9
141.08965	1.1
143.07028	6.2
143.08557	8.8
145.10104	13.6
147.08044	3.2
147.11665	35.1
149.09639	2.4
153.12741	2.0
157.08603	10.8
157.10118	3.6
159.11690	1.9
161.09613	4.0
161.13200	9.0
163.11163	9.4
164.22789	0.8
165.12769	1.4
171.06554	1.9
171.10167	3.9
171.11618	19.6
172.11879	1.1
173.04546	0.9
173.09615	2.2
173.11707	1.6
174.85884	1.0
175.11220	2.2
177.12729	1.2
181.12216	3.2
184.07257	4.6
184.61676	0.9
189.11186	4.6
189.12749	9.0
191.10577	4.6
193.12221	2.6
199.13246	6.9
200.14056	1.8
206.12978	1.1
207.13783	22.9
209.11690	3.9
210.12398	1.1
211.13242	1.9
225.14824	2.1
227.12749	15.8
227.14885	1.5
229.14352	1.6
255.15904	2.5
265.14401	2.3
267.15884	3.8
277.82330	0.9
280.16620	1.5
281.17432	52.0
282.17801	1.7
283.15381	9.6
297.58878	1.0
301.16400	49.3
302.16754	1.5
335.18619	1.3
361.33688	1.1
405.26508	2.7
435.27380	12.6
471.27499	2.6
472.28433	1.8
473.28986	6.6
489.28448	10.9
490.29303	5.0
507.29459	100.0
508.29950	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	703.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59768	1.9
53.03938	13.6
55.01851	7.7
55.05254	2.4
55.05502	29.4
57.03429	20.5
57.07050	3.2
59.04969	2.2
60.08144	2.9
61.02917	1.8
65.03908	5.5
67.05493	100.0
69.03067	3.7
69.03419	37.2
69.07054	25.1
69.93866	10.8
71.04986	8.3
71.07333	2.7
71.08616	1.6
73.02878	3.0
76.25352	2.1
79.05481	93.4
81.03406	56.1
81.07041	88.4
83.04953	20.0
83.08585	12.9
85.02881	20.0
85.06522	4.2
86.09687	14.0
87.10001	1.9
89.06012	1.8
91.05466	85.2
93.07026	99.8
94.97843	1.9
95.04951	27.0
95.08587	64.1
97.02884	13.3
97.06512	8.6
97.10168	5.2
98.20795	2.7
99.04436	8.1
99.08033	2.5
101.02343	3.0
103.03914	2.6
103.05482	4.4
105.04494	2.0
105.07011	58.1
107.04925	10.7
107.08578	43.7
109.02865	5.6
109.06477	12.3
109.10146	23.7
111.04420	5.3
111.07993	2.8
115.05435	3.5
116.06214	2.6
117.06995	26.5
119.08566	36.1
121.06487	8.4
121.10121	24.1
121.25323	1.7
121.34585	1.7
123.08022	6.5
123.11696	4.4
124.99978	11.6
125.09592	2.8
127.03887	8.1
128.06187	6.4
129.05449	6.5
129.06982	29.5
131.03371	2.4
131.04875	2.9
131.08548	32.1
133.06468	7.4
133.10100	22.5
135.08049	3.1
135.11681	16.6
137.09554	4.3
141.06915	5.7
142.07823	1.9
143.08537	18.6
145.06458	8.9
145.10115	18.1
147.08035	7.3
147.11670	29.4
149.05905	2.9
149.09593	3.9
149.13223	7.0
153.06889	2.1
155.08522	6.8
157.06458	4.4
157.10089	11.1
158.07434	2.0
159.08026	7.8
159.11665	12.7
161.09583	5.1
161.13283	10.0
166.07683	2.3
167.08521	3.7
169.10083	6.3
171.08017	4.3
171.11664	18.1
173.04413	7.8
173.09636	3.4
173.13269	9.7
175.07478	1.9
175.11151	2.7
175.14699	2.6
177.12682	2.2
179.14215	2.4
181.10085	4.0
183.11661	4.2
184.07304	52.3
185.07661	8.1
185.09482	3.4
185.13229	5.0
187.14771	3.9
189.09212	2.7
189.12704	8.9
191.14183	2.2
195.11711	2.6
197.13298	2.2
199.14716	2.2
203.14223	2.5
207.13757	15.9
209.13124	1.9
213.16342	2.3
221.15388	3.2
223.14832	4.2
225.14854	3.9
241.15724	4.4
251.14206	2.4
259.16873	7.3
259.20486	3.5
261.22168	6.7
262.75473	2.2
269.15314	7.7
279.15717	2.2
281.17401	22.7
287.16379	15.4
305.17453	5.2
309.16837	2.5
315.15948	2.4
333.16937	3.0
333.24115	2.4
335.25739	91.8
336.25977	2.5
351.17612	3.5
361.19919	2.6
363.25598	2.1
379.20862	2.3
405.26349	2.5
425.21719	12.4
508.39343	1.8
541.38849	58.0
542.39221	3.2
555.40472	3.9
593.41644	3.0
621.40839	6.5
685.42346	7.2
703.44861	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	703.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
55.01865	4.8
55.05503	24.8
56.92883	0.9
57.03432	7.2
57.07068	2.2
58.06610	0.9
59.04974	1.1
61.02916	6.4
65.03928	2.1
67.05492	41.2
68.05830	1.2
69.03419	14.7
69.07055	13.1
69.49470	0.8
71.04991	5.5
71.62595	1.4
71.63006	1.1
73.02892	5.7
74.17742	0.8
75.23109	0.8
79.05478	28.9
81.03407	24.8
81.07043	30.4
82.07371	1.4
83.04968	8.5
83.08615	12.2
85.02898	9.5
85.06517	1.6
91.03951	3.5
91.05466	24.0
92.05811	1.4
93.07031	26.6
94.07346	1.4
95.04954	10.3
95.08582	17.0
97.02883	10.3
97.06506	5.0
97.10147	14.0
99.04453	3.2
99.08078	1.9
103.05468	1.9
105.07014	22.5
105.07664	1.7
106.07316	1.1
107.04946	5.0
107.08583	15.9
109.02843	5.5
109.06506	3.8
109.10145	12.6
111.04436	3.3
111.08071	3.3
115.05419	2.0
117.06992	13.3
119.08568	17.1
120.08920	1.2
121.06501	2.5
121.10117	7.5
123.04452	1.3
123.08091	3.2
123.11702	2.6
125.09612	12.1
127.03912	6.2
128.06219	3.1
129.05481	1.7
129.06998	13.2
131.04871	0.9
131.08546	15.8
133.06479	1.4
133.10117	9.9
135.08052	5.1
135.11655	5.8
137.09613	1.5
141.07004	3.7
141.25003	0.8
142.07762	2.5
143.08534	12.3
145.04932	1.3
145.06497	5.2
145.10095	13.2
147.08025	2.2
147.11630	6.2
149.02356	2.1
149.09604	3.5
149.13274	2.8
151.11215	1.7
153.09091	1.3
153.12772	2.2
154.07713	1.2
155.08487	8.9
156.09218	1.1
157.06517	1.8
157.10097	11.6
159.08058	3.0
159.11670	10.2
160.46146	0.8
161.09598	2.1
161.13255	3.4
163.11205	3.7
165.06976	1.5
165.12785	1.4
166.07880	2.0
167.08539	4.2
168.09279	1.6
169.10080	8.3
171.08064	3.0
171.11642	9.2
173.04430	8.9
173.09613	2.4
173.11842	1.7
173.13281	5.6
175.11186	1.9
175.14822	1.4
177.12697	1.0
179.08636	2.0
179.14279	0.9
181.10107	5.9
181.12288	1.4
182.10878	1.7
183.08144	1.7
183.11685	8.3
184.07289	4.2
185.09650	2.9
185.13226	6.7
187.11243	1.7
187.14909	1.5
189.09409	1.7
189.11232	6.7
189.12674	1.0
191.10623	1.0
193.04932	1.1
193.10101	1.7
193.12273	1.0
195.11697	6.9
197.09607	2.8
197.13240	5.4
199.11176	2.6
199.14748	4.3
201.12715	1.2
207.11775	2.6
209.09793	1.1
209.11658	1.2
209.13211	4.5
211.11322	1.5
211.14891	2.7
213.12813	1.9
213.16446	1.2
217.15808	1.0
219.11684	1.3
221.13335	2.2
223.11157	1.3
223.14912	2.4
225.12938	1.7
227.12709	13.1
227.14491	1.3
229.14432	3.5
230.14578	1.9
233.13235	1.1
235.14894	2.4
237.16394	1.4
239.18097	1.0
245.13734	1.7
247.14714	1.4
255.17601	1.1
257.18982	2.3
259.20526	4.2
260.20895	1.8
273.18530	1.6
275.20093	3.9
279.20987	1.1
283.15405	3.7
291.19678	2.6
295.20459	1.5
297.22107	7.6
299.20108	1.5
313.21533	1.6
315.19754	1.0
315.23230	2.3
333.24393	1.8
337.21692	1.5
351.23325	1.1
355.22711	1.3
405.24017	1.0
413.28183	1.5
421.31030	1.3
431.29312	5.3
449.30322	7.5
459.27151	1.4
467.31589	3.0
479.31055	1.0
485.32648	1.4
488.34750	1.2
506.35184	1.5
513.35907	3.6
515.33417	1.0
523.34100	14.4
527.37634	1.2
531.37238	1.2
539.33185	1.5
541.35168	100.0
542.35413	6.1
544.37256	2.0
553.35065	1.4
559.36084	5.7
562.38306	6.1
565.35083	1.4
583.36267	1.6
598.23730	1.2
631.36133	1.5
649.37335	1.9
667.38330	2.9
685.39191	10.1
703.40259	37.0
704.40356	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.7
55.01866	14.6
55.05254	2.4
55.05502	31.2
57.03428	9.6
57.07065	3.6
58.71597	1.4
60.43174	1.4
61.02913	4.1
65.03928	4.6
67.05495	59.0
69.03419	20.6
69.07059	29.2
69.97626	5.6
69.98047	3.5
70.06583	4.1
71.04987	11.2
71.08613	1.7
73.02900	3.3
77.03933	1.8
79.05482	53.7
81.03407	82.2
81.07046	71.8
83.04970	21.4
83.08607	17.5
85.02896	16.5
85.06516	4.2
86.09696	3.5
87.04447	2.1
88.07623	3.4
91.03967	2.2
91.05469	60.9
93.07030	44.5
95.01324	5.7
95.04964	29.0
95.08590	34.9
97.02880	20.6
97.06520	19.0
97.10152	9.9
99.04433	3.7
99.08088	3.1
102.09132	1.8
103.05469	2.8
105.07018	63.2
107.04948	17.8
107.08574	28.7
109.02873	14.6
109.06512	6.9
109.10152	16.1
111.04430	10.7
111.08056	8.2
113.06023	1.6
115.05416	3.6
117.06989	20.0
119.04941	2.0
119.08565	43.0
121.06476	8.4
121.10134	18.2
123.04440	2.5
123.08077	7.0
123.11704	3.3
124.99969	3.2
125.05910	1.5
125.09669	7.9
127.03886	11.3
128.06210	3.4
129.05498	3.2
129.06995	14.3
129.93411	1.6
130.07729	1.8
131.04919	2.9
131.08557	33.0
133.06508	3.2
133.10114	33.2
135.08066	7.5
135.11650	10.2
137.09583	3.0
141.06935	7.3
142.07764	3.5
143.08563	12.8
145.06476	5.9
145.10098	22.8
147.08046	4.9
147.11661	20.9
149.02313	7.4
149.09618	11.0
149.13246	5.9
150.02673	1.7
151.11197	2.2
153.06946	1.5
153.12766	1.7
154.07787	1.6
155.08539	7.4
157.06560	3.3
157.10114	16.8
159.08057	3.3
159.11655	15.7
161.09607	2.6
161.13274	5.2
163.11180	9.1
165.09106	2.2
165.12804	2.8
167.08549	2.6
168.09360	1.8
169.10072	8.9
171.08099	1.8
171.11633	8.6
173.04448	9.0
173.09653	5.7
173.11900	2.1
173.13289	5.2
175.11150	9.2
177.12769	3.2
179.14287	8.9
181.10121	4.3
181.12108	3.5
183.06583	1.9
183.08046	2.5
183.11594	7.4
184.07300	9.0
185.09497	1.9
185.13330	4.5
187.11180	4.6
189.09261	1.6
189.11246	4.4
189.12798	2.3
191.10678	3.6
193.04994	3.0
193.10519	3.0
193.12222	20.1
194.05341	2.5
195.11667	4.8
197.09700	2.4
197.13211	6.2
199.11241	1.8
201.12654	1.8
201.16496	1.8
205.12167	2.5
207.11844	2.2
209.11659	2.2
209.13380	2.6
211.11259	2.7
211.13219	21.5
211.14868	2.7
213.12721	1.8
213.16298	1.6
215.14392	2.0
225.12721	1.8
227.12762	5.2
229.14322	2.1
229.19475	2.1
233.15840	1.4
239.18056	3.6
247.20518	2.7
249.14867	1.7
255.17702	2.7
256.26349	4.8
257.18945	7.7
257.26758	2.2
267.15759	9.0
273.18475	3.1
275.20023	64.1
276.20486	2.6
279.17465	1.5
279.21118	1.6
283.15494	1.6
285.17154	4.8
291.19489	2.5
293.21152	5.0
301.14172	1.9
313.21738	2.4
331.22980	2.2
337.16391	2.7
349.23788	11.8
355.17410	3.9
365.20972	2.5
383.22488	1.8
386.09805	1.9
411.19873	7.1
439.31622	1.7
449.30396	3.7
461.29153	2.0
467.31332	3.7
474.15369	1.9
475.26849	1.7
523.34045	3.3
541.35187	34.3
559.36591	10.0
583.36237	1.9
649.37305	3.3
659.39105	1.8
667.38446	4.5
685.39508	14.8
703.40173	100.0
704.40674	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	702.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.4
58.06612	0.4
58.62322	0.1
59.07379	0.2
60.08155	5.7
67.05469	0.3
70.58218	0.3
71.07365	2.6
79.05467	0.2
81.07021	0.2
86.09694	29.0
87.10030	0.2
91.05508	0.2
93.07030	0.2
95.04913	0.1
95.08592	0.2
98.98446	2.7
104.10726	2.8
124.99986	19.2
143.01062	0.3
166.02638	0.1
182.21660	0.1
184.07312	100.0
185.07683	1.1
505.39029	0.2
702.46906	12.2
703.46942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01850	2.7
55.05501	17.7
57.03418	3.5
57.05791	1.4
57.07060	3.0
59.04992	0.7
61.02909	0.7
65.03915	1.6
65.92751	0.7
67.05489	15.8
68.05809	1.0
69.03419	4.9
69.07055	8.7
70.06577	4.9
71.04974	3.2
72.08141	97.5
72.71794	0.7
73.02898	0.9
74.02441	0.9
77.07802	0.6
79.05476	12.9
81.03404	12.8
81.07034	14.0
82.06114	0.6
82.06544	3.6
83.04959	4.8
83.08600	4.3
84.08128	17.8
85.02887	3.0
85.03982	0.8
85.06499	1.4
85.08886	0.8
86.09686	4.8
91.05463	12.2
93.07019	10.9
94.07355	0.6
95.04956	9.0
95.08573	6.6
96.08120	1.2
97.02859	3.5
97.06496	4.3
97.10152	3.7
98.06050	1.7
98.09673	22.3
99.04438	0.9
104.52757	0.6
105.07003	10.2
105.22837	0.7
106.07335	0.7
107.04924	5.5
107.08572	6.4
109.02882	1.9
109.06505	2.6
109.10136	5.7
110.06041	1.6
111.04436	1.7
111.08063	2.1
112.07594	8.0
113.03468	5.3
113.10750	0.8
115.05412	1.4
117.06989	5.7
119.04939	4.1
119.07310	0.8
119.08544	8.6
121.06470	3.1
121.10120	4.5
123.04397	1.8
123.08050	2.2
123.11716	2.1
124.07556	1.3
125.09614	2.0
127.03905	2.2
127.08666	1.8
128.06200	0.8
129.06993	4.1
131.04948	1.4
131.08545	4.9
132.08029	1.0
133.06479	1.9
133.10110	4.7
135.04434	1.1
135.08031	1.5
135.11678	2.3
136.07558	6.0
137.09651	1.0
138.12732	11.8
140.05922	1.1
140.07028	19.9
140.14331	5.7
141.06943	1.2
141.10229	1.1
142.07767	1.6
143.08528	3.5
143.11781	4.7
145.06433	3.0
145.10085	4.9
147.04387	2.7
147.08046	1.7
147.11626	3.6
149.09604	2.3
149.13304	0.9
155.08119	37.6
157.06427	1.4
157.10110	3.2
159.06825	0.7
159.08063	1.9
159.11679	2.7
160.07536	4.5
160.30533	0.6
161.05956	1.2
161.09607	3.1
161.13301	1.4
163.11200	1.9
165.05449	3.1
165.06726	1.1
166.12248	4.3
169.06438	0.7
169.10062	2.6
171.04456	1.0
171.08031	1.1
171.11272	14.2
173.04469	2.8
173.05984	0.8
173.09605	3.1
173.13197	0.7
174.12814	0.9
175.11150	1.9
177.09151	2.7
177.12756	0.9
181.09923	1.5
182.08090	11.0
182.09532	1.0
182.11655	3.1
183.08177	1.3
183.11647	1.4
183.14894	11.4
184.07362	2.5
185.09515	2.9
185.13275	1.5
187.07588	0.8
187.11165	2.2
189.05482	1.7
189.09076	15.7
189.10927	1.0
190.12308	1.9
193.10176	1.3
193.11935	0.9
193.13432	2.0
195.11781	0.9
195.14999	0.8
197.09511	0.8
197.13226	1.2
199.11214	0.9
199.14706	0.6
202.12222	24.3
205.12131	0.8
206.08160	0.9
207.11580	1.1
207.13644	0.8
211.14377	100.0
212.14752	1.2
213.09094	2.4
213.12875	0.9
215.10638	0.8
219.10216	2.2
220.09648	0.9
221.12971	2.8
222.08807	0.9
223.11343	0.6
223.13182	1.4
224.13602	1.1
225.12662	0.8
225.86034	0.7
227.12802	2.0
228.13629	0.9
229.14183	1.0
230.11728	1.6
231.10101	13.6
231.13751	0.9
233.09151	0.8
235.14648	1.2
237.12587	0.9
239.13811	3.4
247.14323	0.9
248.12741	17.3
250.08266	1.1
250.15552	1.4
253.11812	6.0
254.17598	0.7
256.16476	4.0
259.09601	0.6
263.13843	1.8
265.15430	2.0
267.15894	1.4
273.15775	1.0
273.18530	2.7
275.13864	2.8
275.20129	1.8
276.12308	1.2
280.16525	1.9
281.17529	1.9
282.17816	1.8
291.19583	1.5
293.14957	1.8
297.17172	0.6
298.17325	0.7
301.14413	0.9
304.20258	0.8
306.21701	0.9
307.16159	2.7
308.15948	3.9
310.17654	0.7
319.16452	2.5
319.24579	1.2
321.14548	2.3
322.21292	2.5
329.21497	0.8
332.19690	1.3
350.20660	41.4
351.21191	1.1
352.18658	12.5
373.21231	0.7
374.20853	0.8
377.17523	0.6
392.17822	3.5
418.23395	1.7
420.21408	1.0
421.28143	2.4
424.48026	0.6
435.26505	0.7
436.27643	0.8
445.24301	0.9
446.22839	1.7
449.27524	29.5
450.28012	2.1
463.25409	7.0
473.24112	1.8
485.27048	1.2
491.24924	14.3
503.29544	1.8
504.30045	5.4
508.73859	0.7
520.31433	2.7
521.32703	1.1
529.28186	0.8
531.28009	7.1
539.33313	3.9
542.35944	0.8
557.35266	1.4
560.36511	1.2
602.33667	3.8
627.36182	0.6
628.37128	1.0
630.34882	5.4
655.38104	2.4
656.36444	1.7
665.37213	1.9
673.39075	29.5
674.39429	1.4
683.37463	5.4
701.38782	34.4
702.38879	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.4
57.01940	0.3
57.03398	0.9
58.99830	0.5
60.67729	0.3
61.02884	0.9
62.76328	0.3
69.03410	3.4
69.35776	2.6
73.02877	0.8
75.24282	0.3
77.00885	1.6
81.03362	0.9
82.99870	0.9
83.04924	0.4
85.02887	8.1
86.03197	0.3
87.04417	0.5
91.03925	0.3
91.05466	0.6
95.01893	1.2
95.04922	0.3
97.02869	3.3
98.20630	0.3
99.04417	0.7
101.00848	4.4
103.02415	0.4
103.05403	0.3
107.04924	0.6
109.01376	0.5
109.02828	1.0
111.04420	0.5
113.00897	0.5
115.02412	0.7
118.01119	0.3
119.01900	26.4
119.04831	0.4
120.01971	0.9
120.27525	0.3
121.01617	0.4
121.02855	1.8
121.06512	0.3
123.04385	1.3
127.02408	0.4
127.03882	4.1
129.05402	0.4
131.01865	2.1
133.03448	2.7
133.06429	0.3
135.04324	0.5
137.02925	6.4
137.05959	1.5
139.02344	1.4
139.03825	0.7
142.01094	0.5
142.03447	0.9
143.01872	6.1
145.03409	10.8
145.04886	2.7
146.03502	0.5
147.01328	0.4
147.03238	0.3
147.04248	1.9
147.06152	0.3
149.02936	0.4
151.04468	0.5
155.01904	1.4
156.02516	0.3
157.03436	23.8
158.03615	0.7
159.03218	0.7
159.04970	0.4
160.02112	0.9
160.04419	0.3
161.02937	13.0
162.03014	0.8
163.04388	2.9
167.01834	0.4
167.06944	0.8
169.03448	0.7
171.05005	0.5
173.02945	3.6
174.03677	0.3
175.04489	20.8
176.04614	0.7
177.04066	0.4
180.05042	0.6
181.05507	2.4
183.04955	1.0
183.08493	0.4
184.04367	0.4
185.03000	1.5
186.03032	0.4
187.02933	0.4
187.04509	1.3
189.06059	0.7
190.04970	0.6
191.05457	0.4
193.03522	0.4
193.05434	0.4
197.02875	0.6
197.06581	0.4
198.06067	0.7
198.98488	0.8
199.04527	0.5
201.05974	0.5
203.03905	1.7
203.05573	1.1
205.05524	12.7
206.05684	0.5
207.04933	2.1
208.05693	0.4
209.02876	0.3
209.06509	1.1
211.04408	0.9
211.06317	0.3
213.06023	0.7
215.03737	0.5
215.05518	1.2
215.07462	0.6
216.99532	0.4
217.05461	0.4
219.04956	0.9
221.04919	3.2
221.06586	6.4
222.05147	0.5
223.06581	65.3
224.04732	0.5
224.06732	2.6
225.06157	1.8
227.03874	0.4
229.05524	0.5
231.07104	0.4
233.06570	14.6
234.06723	0.6
235.04434	1.2
235.06476	0.4
237.06062	1.7
239.03566	0.3
239.07509	1.3
241.07635	31.0
242.07872	1.2
243.07483	0.5
245.04987	3.5
246.05493	0.8
246.08197	3.7
247.04578	1.4
247.08220	0.7
249.06102	1.3
251.07825	2.8
253.05486	1.4
255.07179	0.7
256.08118	0.9
257.08713	1.8
259.06464	0.7
261.06119	0.4
263.07910	0.4
264.06848	4.1
264.09351	0.6
265.07639	77.6
266.07800	3.3
267.07227	1.4
269.09045	0.6
271.06229	0.4
273.08206	0.6
274.09207	0.3
275.05811	0.6
277.05515	0.5
277.07785	2.9
279.09235	1.3
283.08774	0.5
286.08331	0.4
291.07120	0.6
293.07019	0.9
295.06467	0.6
295.09991	0.5
297.07941	0.3
305.07153	0.6
305.10483	0.5
307.08655	0.9
309.08157	1.6
311.09659	5.4
313.11365	0.9
315.09561	0.6
319.10077	0.5
321.10074	0.7
325.09659	2.4
329.10544	0.4
337.07541	0.8
337.11288	0.7
339.09180	4.3
340.09857	1.1
341.10785	3.7
343.08691	0.4
353.10837	0.7
355.08481	0.4
355.12338	6.1
356.12103	0.6
357.10248	19.5
358.10648	1.1
359.07916	0.8
359.11920	4.9
365.09464	1.0
367.10828	6.9
368.11020	1.0
369.10489	1.5
370.96689	0.3
373.13644	0.5
375.11487	2.1
377.12558	1.1
380.11743	0.7
381.10352	0.7
383.12189	0.4
387.13422	12.3
388.13828	0.5
399.11325	11.7
400.11353	0.8
403.14719	0.4
411.11206	1.4
417.12860	0.5
429.12335	0.6
459.13232	1.7
463.06741	0.6
465.06943	0.3
487.13129	0.4
501.14465	6.6
502.14642	0.6
519.15515	100.0
520.15765	7.3
521.13678	0.8
521.17395	0.7
539.19159	1.4
683.22784	0.3
701.25409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52553	1.1
50.97209	1.2
53.03934	1.9
54.22675	0.9
55.01852	1.6
55.05502	9.6
57.03429	4.3
57.07070	18.6
65.03931	1.2
67.05164	1.6
67.05496	23.8
69.07066	10.1
71.04962	1.5
71.08615	15.0
75.79618	1.1
79.05484	35.2
81.03414	5.1
81.07043	28.8
83.04988	6.5
83.08599	9.7
85.06551	1.2
85.10174	8.8
89.06003	1.1
91.05466	26.3
93.07031	32.3
94.37313	1.3
95.04955	10.0
95.08591	23.8
96.08965	1.5
97.06519	3.7
97.10134	5.4
105.07018	18.7
107.04942	2.8
107.08569	8.2
109.06522	3.5
109.10152	7.5
115.05275	1.2
117.07009	3.8
119.08551	12.3
121.06446	2.0
121.10143	3.8
123.08051	2.2
123.11678	2.1
124.42525	1.0
129.06992	8.9
131.08548	1.8
133.10103	5.8
137.13185	1.1
143.08549	4.5
145.10133	5.8
146.51276	1.4
147.11673	15.6
161.09682	2.6
161.13255	5.2
171.11667	10.9
189.12752	4.4
207.13763	16.9
232.93602	1.2
239.23608	1.3
281.17444	49.7
282.17776	1.8
313.27319	50.4
413.43835	1.2
519.40411	100.0
520.40607	4.0
545.06238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01862	1.4
55.05501	3.2
57.03426	1.5
57.07059	0.3
59.04997	0.5
65.03931	0.6
67.05161	0.5
67.05493	6.7
69.03417	1.8
69.07050	2.5
71.04967	1.3
71.62683	0.6
72.89838	0.3
73.02903	0.4
79.05480	7.2
80.05817	0.3
81.03403	55.4
81.07042	8.9
82.03724	0.8
83.04970	2.7
83.08602	11.8
84.08948	0.3
85.02892	0.7
85.06523	0.9
86.09685	0.5
91.05462	10.3
93.07034	6.3
95.04952	15.7
95.08597	3.8
97.02874	2.1
97.06493	1.5
97.10146	1.9
98.98431	0.4
99.04438	0.8
99.08075	0.5
102.63712	0.3
103.05447	0.6
105.03374	0.4
105.07012	8.1
107.04932	3.3
107.08563	4.2
108.08928	0.4
109.02869	2.0
109.06496	2.4
109.10143	3.3
111.04428	1.5
111.08063	4.9
113.05983	0.5
115.05436	1.1
115.63350	0.3
117.06996	1.2
119.04899	1.8
119.08562	8.9
120.08916	0.3
121.02840	3.1
121.06496	2.2
121.10110	5.4
123.04394	0.7
123.07986	1.5
123.11695	1.3
125.09602	1.6
127.03897	1.6
128.06137	0.3
129.06987	5.7
131.04921	0.4
131.08539	5.5
133.06464	2.2
133.10109	3.7
134.10416	0.4
135.07997	0.6
135.11679	1.5
137.05954	0.8
137.09569	1.5
139.03909	0.9
139.11174	0.7
142.07738	1.1
143.10628	0.4
145.02837	0.4
145.05008	0.4
145.10048	1.5
147.04401	4.7
147.08002	2.3
147.11659	5.4
149.09590	3.4
149.13162	0.4
151.03854	0.6
151.07545	0.4
151.11163	0.8
153.01791	0.6
157.08781	0.4
157.10091	7.9
159.11751	0.8
161.09586	0.9
163.03821	0.7
163.11179	1.1
165.09113	0.7
165.12679	1.6
167.06989	0.4
167.10631	0.6
171.02864	0.5
171.11647	0.4
173.13264	0.5
175.11156	7.3
177.05455	1.3
177.12752	0.4
179.10672	0.4
181.12173	0.8
185.11705	0.5
185.13248	0.5
189.09103	0.4
192.13747	0.4
193.12212	12.5
195.02863	0.3
199.13066	0.4
203.17738	0.4
205.12234	0.4
218.15379	0.5
219.88675	0.3
229.14272	0.4
231.13783	0.5
234.67708	0.3
236.16389	4.7
249.14896	1.7
267.15805	2.1
274.28677	0.3
301.21527	0.4
311.14633	0.5
321.24078	0.5
347.21939	0.5
365.23181	0.6
390.16605	0.5
400.15350	0.4
408.17804	1.0
459.27325	100.0
460.27615	5.4
509.27188	0.7
600.29175	8.3
700.35144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.4
56.05013	0.4
56.56502	0.1
57.03411	0.2
57.07048	0.5
58.06350	0.3
58.06629	0.5
60.08155	6.1
67.05492	1.9
69.07058	0.3
69.42737	1.5
70.06577	0.2
71.04956	0.1
71.07024	0.2
71.07369	2.9
71.08608	0.4
79.05476	0.6
81.03375	0.2
81.07030	1.1
82.31535	0.1
83.04982	0.3
83.08599	0.3
85.10125	0.1
86.09693	29.6
91.05470	0.4
93.07021	0.7
94.49645	0.2
95.04965	0.3
95.08596	0.8
97.10165	0.4
98.98454	2.5
104.10739	1.9
105.07030	0.4
107.08595	0.3
109.10149	1.4
118.84663	0.2
119.08590	0.3
121.10141	0.3
123.11679	0.2
124.99986	19.9
131.08543	0.2
133.10097	0.2
135.11652	0.2
143.01062	0.5
145.10007	0.2
149.09573	0.2
159.11624	0.3
166.02660	0.4
184.07314	100.0
185.07646	0.9
218.71387	0.2
251.97388	0.1
365.14047	0.2
387.35681	0.2
438.22507	0.2
441.82153	0.2
467.37244	1.6
498.54752	0.2
557.40076	1.2
698.43719	6.3
699.43280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69385	1.5
53.03930	4.3
53.12392	1.9
55.01854	4.1
55.05503	25.3
57.03427	20.3
57.07069	61.8
63.70480	1.6
65.03911	2.7
67.05166	2.3
67.05496	44.3
69.03419	11.4
69.06779	1.6
69.07062	19.6
69.31815	13.3
69.32236	4.1
71.01328	7.1
71.04965	6.3
71.08622	42.1
79.05473	27.6
81.03407	96.1
81.07046	47.2
83.04961	16.5
83.08139	2.6
83.08607	36.3
85.02895	32.1
85.06518	3.1
85.09713	1.8
85.10176	20.6
91.05469	33.2
93.07028	20.5
95.01328	12.5
95.04959	33.2
95.08045	3.0
95.08598	38.9
97.02863	12.9
97.06494	6.5
97.10158	12.6
98.21559	3.3
99.00785	2.3
99.04436	2.7
99.08060	2.7
99.11690	1.9
105.07010	26.0
107.04935	9.6
107.08571	12.9
109.06495	7.9
109.10147	16.9
111.04442	4.8
111.08070	10.9
111.11679	1.9
113.02343	4.1
113.05975	3.8
117.07001	2.1
119.08568	25.7
121.06465	4.6
121.10111	13.8
123.08065	5.2
123.11667	7.4
125.02325	4.8
125.09618	3.8
129.06963	13.9
131.08572	12.8
133.06386	2.3
133.10107	11.6
135.11674	2.8
137.09596	4.8
141.01808	21.9
143.08449	1.7
145.10115	3.7
147.08052	2.4
147.11659	23.8
149.09650	8.3
149.10730	1.8
152.13292	1.8
153.08907	1.8
157.10109	19.4
163.11171	2.4
165.12718	5.4
175.11156	17.9
177.46873	1.9
181.12152	3.1
184.07352	2.4
191.10625	4.6
193.12221	62.8
209.11655	2.2
211.13261	68.4
227.12781	6.2
229.14238	1.9
231.78415	1.9
235.13208	2.7
239.23653	7.8
249.14832	2.8
267.15872	52.2
285.17007	13.1
289.14365	2.3
305.14020	2.0
309.17004	2.4
313.27332	95.6
314.27948	4.3
341.26572	2.7
369.15186	6.7
425.17926	3.0
443.19107	18.9
505.38840	38.8
523.39874	100.0
524.40021	6.6
559.22766	2.1
575.03101	2.2
659.23987	1.8
681.41376	7.1
699.42749	16.9
719.51483	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74252	1.1
53.03924	3.0
55.01856	2.2
55.05503	11.4
57.03432	17.6
57.07069	39.4
57.72118	1.4
60.99951	1.1
62.74682	1.2
65.03923	1.2
67.05169	1.6
67.05498	21.9
69.03429	1.3
69.07055	9.1
71.04982	2.7
71.08623	29.6
73.02883	1.6
74.18999	1.3
79.05483	13.0
81.03406	81.7
81.07047	21.3
83.04974	6.8
83.08604	21.6
85.02872	3.9
85.10168	17.6
87.20538	1.2
89.06016	1.2
89.73805	1.2
91.05468	14.4
93.07037	11.5
95.01300	1.6
95.04951	24.4
95.08595	22.8
95.14440	1.3
97.02863	4.1
97.06517	2.2
97.10181	7.7
98.21487	2.7
105.07014	12.4
107.04917	5.3
107.08580	4.9
109.06491	3.7
109.10136	9.7
111.04443	1.3
111.08050	6.3
111.11698	1.3
117.06956	1.9
119.04904	1.5
119.08565	12.7
121.06505	3.6
121.10139	4.6
123.04395	5.0
123.08031	1.4
123.11675	3.7
125.09586	1.6
129.07005	6.8
131.08530	8.0
133.06456	3.3
133.10091	3.9
135.08018	1.9
135.11653	2.3
137.05971	1.5
137.13214	1.5
141.01773	2.1
142.07773	2.6
145.10092	3.6
147.08064	1.9
147.11662	6.5
149.09593	4.1
153.63139	1.2
157.10092	8.8
159.11551	1.3
161.05856	1.4
163.11160	1.9
165.12773	1.7
171.11752	1.6
175.11151	6.9
177.12819	1.4
184.07268	3.5
187.11151	1.4
189.12823	2.1
193.12213	29.2
211.13222	3.3
222.06569	1.4
235.13255	4.6
239.23564	4.3
249.14830	1.9
259.13211	2.4
267.15869	97.6
268.16232	3.1
271.13229	1.8
277.14462	1.5
289.14319	3.4
305.13638	1.5
309.16998	4.9
313.27322	100.0
314.27646	3.5
315.12161	1.8
333.13391	1.3
407.61292	1.4
425.17715	1.9
443.18903	3.9
505.38785	67.0
506.39011	3.7
523.39587	2.4
547.39636	4.7
601.40710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01854	2.2
55.05250	0.9
55.05504	10.7
57.03425	2.4
57.07066	26.9
57.58298	0.5
59.04986	2.9
60.08162	0.7
62.06073	1.1
65.03917	0.8
67.05494	60.8
68.05834	0.8
69.03400	1.6
69.07063	9.8
71.04961	2.0
71.08620	19.8
79.05488	7.3
81.03394	2.1
81.07046	21.6
82.06573	0.9
82.07370	0.8
83.04958	1.6
83.08132	0.8
83.08606	12.5
83.46748	0.5
85.02879	1.3
85.06517	2.0
85.10169	12.3
86.09694	1.8
87.04487	0.6
91.05463	6.8
93.07018	7.7
95.04952	1.5
95.08591	23.2
97.06510	1.2
97.10154	5.9
98.98435	2.8
99.08057	0.7
99.11712	1.3
105.07030	2.6
106.67783	0.6
107.04940	0.9
107.08559	3.1
109.06432	1.1
109.10139	54.7
110.05997	0.6
110.10457	1.1
111.08089	2.7
111.11677	1.0
117.06982	1.1
117.16043	0.5
119.08564	4.8
121.06521	1.1
121.10136	3.3
123.11691	3.2
124.01607	0.8
124.99976	1.2
125.09619	2.2
125.13299	1.0
131.08511	1.4
133.10083	0.9
135.08136	0.6
135.11659	1.9
137.09598	2.1
137.13226	1.6
139.11174	1.1
145.10092	2.1
147.07970	0.6
147.11674	0.9
149.09573	0.6
155.01030	1.8
155.10672	1.5
159.11751	0.6
163.11162	1.9
173.11714	10.9
180.13850	1.5
181.12196	0.9
184.07332	6.4
193.12202	0.9
198.14847	8.3
199.13251	1.1
209.11700	0.6
211.13350	0.8
227.12770	1.5
227.20006	1.4
229.14319	5.5
239.23669	3.4
245.13777	2.2
250.90012	0.6
252.15889	0.6
270.16885	1.0
282.27844	3.9
282.75214	0.5
283.15433	0.5
295.85086	0.5
301.16351	1.6
309.10986	0.7
313.27313	9.0
344.21201	0.6
352.15201	1.7
363.37012	0.7
393.23923	0.7
436.28470	0.7
437.35992	1.5
455.37103	1.3
467.37265	100.0
468.37549	4.8
505.38831	1.1
513.37714	2.3
539.38947	6.7
557.40363	62.3
558.40643	3.7
590.38165	6.8
608.39124	3.2
628.39301	0.6
662.40070	9.7
680.43475	1.7
698.42578	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	698.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.4
56.05013	0.4
56.56502	0.1
57.03411	0.2
57.07048	0.5
58.06350	0.3
58.06629	0.5
60.08155	6.1
67.05492	1.9
69.07058	0.3
69.42737	1.5
70.06577	0.2
71.04956	0.1
71.07024	0.2
71.07369	2.9
71.08608	0.4
79.05476	0.6
81.03375	0.2
81.07030	1.1
82.31535	0.1
83.04982	0.3
83.08599	0.3
85.10125	0.1
86.09693	29.6
91.05470	0.4
93.07021	0.7
94.49645	0.2
95.04965	0.3
95.08596	0.8
97.10165	0.4
98.98454	2.5
104.10739	1.9
105.07030	0.4
107.08595	0.3
109.10149	1.4
118.84663	0.2
119.08590	0.3
121.10141	0.3
123.11679	0.2
124.99986	19.9
131.08543	0.2
133.10097	0.2
135.11652	0.2
143.01062	0.5
145.10007	0.2
149.09573	0.2
159.11624	0.3
166.02660	0.4
184.07314	100.0
185.07646	0.9
218.71387	0.2
251.97388	0.1
365.14047	0.2
387.35681	0.2
438.22507	0.2
441.82153	0.2
467.37244	1.6
498.54752	0.2
557.40076	1.2
698.43719	6.3
699.43280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01851	0.5
55.05499	1.3
57.03427	1.8
61.02919	4.0
62.17274	0.2
67.05493	2.0
69.03416	2.8
69.07059	0.9
69.29995	2.2
71.04985	0.6
73.02902	3.0
79.05484	2.3
81.03407	5.2
81.07042	3.2
82.03788	0.3
82.87930	0.2
83.01319	0.2
83.04984	1.5
83.08606	1.8
85.02895	7.3
85.06516	0.4
86.09706	0.4
87.04482	0.3
91.03954	2.6
91.05466	3.6
93.07031	2.6
95.04959	2.4
95.08575	1.4
97.02880	4.2
97.06504	0.7
97.10181	0.6
99.04455	0.8
99.08098	0.2
101.02358	1.6
103.04001	0.3
104.10748	0.5
105.07018	2.4
107.04970	0.9
107.08565	1.3
109.02875	0.9
109.06512	0.7
109.10149	0.7
111.04491	0.4
111.08073	0.9
113.05955	0.2
115.03889	0.3
115.05524	0.3
117.03384	0.3
117.06962	0.3
119.04926	0.3
119.08554	2.3
121.06503	0.4
121.10132	1.2
123.04420	0.4
123.08017	0.3
123.11703	0.3
125.00006	0.4
125.09615	0.2
127.03884	1.5
129.06981	0.8
131.08580	1.3
133.06520	0.3
133.10109	1.9
135.11707	0.2
137.05960	0.3
137.09605	0.5
142.07776	0.3
145.02838	0.6
145.04930	0.3
145.10115	0.4
147.04405	0.8
147.08043	0.5
147.11656	1.9
149.09660	0.8
153.01790	0.4
157.10112	1.8
161.09625	0.2
163.03896	0.3
163.11115	0.3
165.12798	0.5
171.02905	0.5
175.11166	1.3
177.05441	2.0
184.07309	1.5
185.04242	0.5
185.07640	0.4
193.12204	3.3
193.13867	0.3
203.05316	0.3
209.11714	0.2
211.13275	1.6
211.14601	0.2
212.13698	0.2
238.24596	0.2
243.08385	2.2
245.04427	0.6
251.12476	2.4
267.16019	0.2
285.16974	0.7
305.24741	0.3
307.12091	0.2
307.15070	1.0
469.20383	13.7
470.20935	0.4
499.30881	0.3
517.31403	0.3
535.28741	0.3
675.22589	0.3
697.33911	100.0
698.34314	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	696.5394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57803	0.3
53.03927	1.0
55.05502	5.4
56.05036	3.8
57.07064	3.0
58.06584	0.9
60.04514	1.8
61.02909	0.9
65.03928	0.6
65.54613	0.3
65.86591	0.3
67.05489	11.7
68.05004	1.1
69.03412	2.2
69.07053	6.7
70.06576	2.3
71.08631	1.9
76.03961	0.7
79.05473	8.7
80.05006	2.8
81.03393	1.2
81.05766	1.4
81.06570	0.6
81.07040	10.7
82.06561	5.8
83.08604	4.5
84.08099	0.4
85.02884	4.2
85.10149	1.0
86.06066	0.4
91.05460	8.0
93.05788	0.4
93.07022	9.8
94.06548	17.2
95.04942	1.8
95.07332	8.2
95.08586	8.6
96.07532	0.6
96.08109	5.8
96.23438	0.3
97.02871	1.4
97.06488	0.4
97.10120	2.4
98.06039	0.4
105.07014	6.3
106.06514	0.4
107.07278	0.3
107.08559	4.5
108.08088	3.3
109.10143	3.0
111.11663	0.8
117.06999	0.6
119.08553	5.8
119.17613	0.3
121.08813	0.4
121.10120	5.7
122.09630	2.4
123.11664	1.3
127.03853	0.7
133.10092	3.3
134.09639	0.6
135.10481	0.7
135.11650	2.6
136.11189	1.1
137.13208	0.8
141.21564	0.4
142.06395	0.3
145.04834	0.4
147.11652	1.8
149.13228	1.0
161.13251	1.0
197.18948	0.3
233.22607	2.4
237.21899	0.5
245.22591	5.2
247.24083	0.5
250.25247	6.0
251.25679	0.4
254.24748	1.0
262.25238	100.0
263.25778	2.0
264.26984	0.5
272.25778	5.0
280.26291	5.8
281.26935	0.5
282.28094	0.5
296.25864	0.5
312.25168	1.0
399.72961	0.5
442.31390	0.7
482.99130	0.5
504.47598	4.1
516.47662	32.5
517.47729	1.4
518.49243	8.1
534.48718	7.7
696.42493	0.6
696.53857	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	696.5393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	0.3
53.03925	1.2
55.01869	0.3
55.05258	0.5
55.05501	5.7
56.05038	2.5
57.03427	0.3
57.07064	2.6
58.06570	0.9
58.93223	0.2
60.04516	2.1
61.02906	0.5
65.03916	0.6
67.04219	0.3
67.05492	10.4
68.05028	0.7
69.03411	2.0
69.07058	8.0
69.68267	1.4
69.68674	0.6
70.06570	1.9
71.08610	1.7
77.03886	0.4
79.05474	8.2
80.04993	2.2
81.03391	1.2
81.05770	1.0
81.06570	0.5
81.07043	9.1
82.06564	6.6
83.08601	4.7
84.08124	0.4
85.02898	2.8
85.10139	0.7
86.06062	0.3
87.04463	0.4
91.05460	6.8
93.05784	0.4
93.07022	9.0
93.07613	0.5
94.06549	17.0
95.04945	1.4
95.07332	7.7
95.08592	8.0
96.08111	5.7
97.02847	1.5
97.10152	2.7
98.06018	0.5
100.07584	0.3
105.07013	5.1
107.08568	4.8
108.08104	2.7
108.08804	0.5
109.02859	0.6
109.10126	3.5
110.09682	0.5
111.11714	0.8
114.91656	0.3
115.64804	0.3
117.06919	0.4
119.08556	5.3
121.08836	0.4
121.10122	5.7
122.09650	2.5
123.11666	1.3
127.03896	0.9
131.08575	0.4
133.10104	3.6
134.09628	0.4
135.10414	0.8
135.11662	2.7
136.11209	0.8
137.13177	0.4
147.11685	1.5
149.13232	1.0
161.13251	0.7
163.14775	0.6
175.14793	0.3
179.17908	0.3
193.19514	0.7
196.20596	0.4
219.21056	0.8
233.22545	2.2
234.22075	0.5
237.21951	0.4
245.22627	5.3
250.25250	5.5
254.24704	1.5
262.25244	100.0
263.25766	1.7
264.26749	0.9
267.03705	0.3
272.25778	5.4
280.26309	5.2
282.27856	0.6
304.26367	0.6
312.25195	0.8
353.78448	0.3
442.31482	0.8
488.48169	0.5
504.47598	5.0
516.47668	32.9
517.47809	1.0
518.49207	9.4
534.40930	0.5
534.48700	8.3
535.48938	0.5
560.84241	0.3
696.42548	0.5
696.53949	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	696.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
53.86590	0.6
55.01872	0.9
55.05257	0.9
55.05502	14.7
57.03429	5.9
57.07069	8.2
61.02916	22.7
63.25298	0.6
63.39505	0.6
65.03909	1.4
67.05494	63.1
69.03416	4.5
69.07056	21.7
69.97871	3.0
71.04970	2.5
71.08624	5.6
73.02901	9.1
75.04470	1.1
79.05045	1.3
79.05477	16.4
81.03386	1.0
81.07044	78.9
82.07361	1.1
82.31148	0.7
83.04952	2.4
83.08601	17.1
85.02893	25.2
85.03416	1.2
85.06515	2.9
85.10156	2.7
87.04465	1.0
91.03941	23.2
91.05464	14.0
93.07026	19.8
94.07817	0.6
95.04946	3.0
95.08591	70.3
97.02869	12.4
97.06525	6.5
97.10152	12.3
99.04430	2.3
99.08083	3.8
103.03907	1.2
103.45152	0.6
105.07016	10.8
107.08579	17.1
109.02847	1.3
109.06528	1.7
109.10137	34.1
111.08018	3.3
111.11702	4.1
113.09635	1.8
115.03931	1.6
119.08568	11.7
121.10127	22.5
121.11008	1.1
123.08009	0.8
123.11691	17.7
125.09618	2.5
125.13260	1.2
127.03906	9.2
127.11144	1.4
131.08501	1.2
133.10107	13.8
135.11676	11.3
137.09605	2.0
137.13216	6.0
139.14690	0.6
141.12706	2.1
142.07874	0.8
143.08527	0.8
143.10687	0.7
145.04950	10.6
145.10114	1.5
147.11674	10.3
149.13231	11.3
151.11176	1.8
151.14804	5.4
155.14243	3.0
159.11630	1.2
161.13240	12.9
163.05986	20.0
163.14804	10.6
165.12695	2.2
165.16389	7.4
167.14322	1.3
175.14807	11.0
177.16356	2.4
179.14314	1.8
179.17929	7.2
181.15799	1.5
184.07324	0.9
189.16382	6.0
203.17886	2.1
207.17355	1.5
211.35335	0.7
217.19397	1.3
245.22610	61.1
246.23058	0.8
263.23657	100.0
264.24030	2.4
265.25171	2.2
281.24719	3.0
337.27313	71.9
338.27744	2.3
344.04355	0.7
355.28363	20.9
499.32620	6.7
604.14026	0.7
650.77173	0.9
661.37732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01846	1.2
55.05500	7.7
57.03421	2.1
57.07068	14.0
61.88676	0.5
65.03905	0.7
67.05494	18.7
68.05825	0.5
68.42828	0.5
69.03420	1.2
69.07057	8.6
71.04980	1.4
71.08619	11.8
79.05480	10.2
81.03405	29.9
81.07042	21.0
83.04967	3.3
83.08601	12.1
84.08939	0.7
85.06521	0.6
85.10170	5.3
91.05467	11.7
93.07031	10.4
95.04949	10.4
95.08590	15.9
97.02883	1.5
97.06517	1.7
97.10166	4.3
99.08073	2.1
99.11750	0.4
105.07016	10.1
107.04942	2.4
107.08575	5.0
109.06488	1.7
109.10138	7.0
111.04409	1.1
111.08076	2.8
111.11733	0.6
115.05442	0.7
117.07009	2.3
119.08560	8.1
121.06455	2.3
121.10118	5.6
123.08015	1.0
123.11704	2.5
125.09584	0.9
129.06987	4.3
131.08551	4.9
133.06548	1.0
133.10132	4.5
135.11671	1.9
137.09579	1.1
137.13248	1.0
142.07738	1.1
143.08525	1.1
145.10078	3.4
147.08032	1.0
147.11658	4.1
149.09619	2.9
149.13245	2.0
151.11148	2.0
155.08467	0.6
157.10083	3.7
159.11684	2.2
161.13240	0.8
163.11157	1.6
165.12750	1.0
170.88733	0.5
171.11653	0.8
173.13266	1.0
175.11139	3.8
177.12762	1.0
179.14267	0.8
184.07414	0.8
189.11221	0.7
193.12172	5.0
195.13774	0.5
204.67233	0.5
205.12370	0.6
227.12793	1.7
236.16400	4.0
239.23618	0.8
249.14900	1.1
255.15883	0.5
257.18903	0.9
259.20572	0.8
262.25394	0.5
267.15884	2.0
269.17441	3.4
275.20093	2.5
277.21622	1.3
313.27338	1.6
349.23694	1.3
351.25180	1.0
363.46664	0.5
367.24619	0.6
449.29001	1.3
454.28970	0.7
463.30356	2.2
505.38809	100.0
506.39160	7.6
512.85724	0.5
517.38788	0.8
543.36578	2.1
545.38177	1.9
625.43915	0.8
646.41113	0.8
697.42432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.0
55.01864	1.1
55.05263	0.7
55.05503	9.0
57.03429	3.6
57.07067	25.7
58.45425	0.6
58.98014	0.6
61.80804	0.6
64.27263	0.6
67.05492	19.5
69.03421	0.6
69.06716	0.8
69.07057	9.6
71.04964	1.7
71.08620	18.6
79.05474	12.4
81.03405	15.3
81.06568	1.5
81.07041	22.7
83.04967	5.1
83.08600	10.6
85.02897	7.9
85.06521	1.3
85.10162	9.0
91.05460	15.5
93.07030	8.6
93.58271	0.7
95.04963	8.2
95.08591	18.0
97.02930	0.8
97.06509	1.9
97.10161	3.9
98.98442	3.1
99.08061	1.3
104.30522	0.7
105.07015	11.9
106.07331	0.7
107.04921	2.5
107.08571	4.2
108.08860	0.7
109.06508	2.4
109.10153	8.7
111.04467	0.8
111.08056	2.7
113.05998	1.1
115.05371	0.6
117.06988	1.2
119.08546	9.2
121.06512	0.6
121.10098	3.5
123.08083	1.8
123.11681	2.8
129.06972	4.7
131.08551	4.8
133.10114	6.0
137.13261	0.8
142.07816	1.1
145.10086	1.2
147.08017	1.4
147.11688	3.7
149.09557	1.5
151.11266	0.9
155.01010	1.1
157.10091	4.6
159.11819	0.8
165.12679	1.0
171.65569	0.6
175.11160	3.6
184.07262	0.7
193.12204	10.9
211.13229	11.7
227.34381	0.7
239.23695	2.5
249.14923	1.2
267.15836	3.1
285.16940	1.0
313.27237	5.7
471.33319	0.7
505.38785	7.9
523.39850	100.0
524.40192	7.3
721.38684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28300	0.4
53.03941	1.3
55.01861	1.2
55.05495	3.3
57.03423	3.7
58.73954	0.4
60.08156	0.9
61.02912	4.8
67.05492	7.9
68.05823	1.1
69.03423	4.3
69.07052	2.8
70.07401	0.6
71.04978	2.9
71.26772	0.4
71.61855	0.6
73.02904	3.2
77.18628	0.4
79.05476	6.8
80.05820	0.7
81.03405	12.1
81.07040	8.7
82.03719	0.7
82.07379	1.3
82.84262	0.4
83.01302	0.8
83.04958	2.9
83.08598	4.4
84.08936	0.6
85.02882	8.0
85.06516	1.3
86.09694	4.9
87.04456	0.7
91.03936	3.0
91.05457	7.4
92.05782	1.3
93.07023	8.9
94.07371	1.5
95.04948	4.9
95.08589	3.4
96.08917	0.9
97.02858	4.2
97.06501	1.9
97.10163	0.9
98.98499	0.4
99.04456	1.3
99.08085	0.6
101.02368	1.6
103.03954	0.4
105.07011	5.0
106.07351	0.8
107.04936	1.5
107.08572	5.5
108.08914	0.7
109.02863	1.3
109.06494	1.7
109.10137	4.8
110.10473	0.9
111.04441	0.9
111.08050	2.5
112.08385	0.4
115.03944	0.6
115.05461	0.4
117.06990	1.4
118.66725	0.4
119.04953	0.4
119.08562	4.3
120.08830	0.7
121.06472	1.1
121.10121	3.8
122.10455	0.5
123.04400	0.8
123.08070	1.7
123.11661	0.9
124.99985	2.9
125.09636	1.0
127.03905	1.7
127.07516	0.5
129.06979	2.1
131.08540	2.9
132.08884	0.4
133.06497	1.1
133.10123	2.9
134.10463	0.6
135.08038	1.0
135.11650	2.3
137.09595	1.4
139.03867	0.5
143.08553	0.7
145.02821	1.0
145.04984	0.6
145.10074	1.9
147.04414	1.5
147.08006	1.0
147.11656	2.5
149.09615	0.7
149.13284	1.9
150.13530	0.7
151.07486	0.5
151.11140	0.4
153.01788	0.7
157.10110	2.8
158.10416	0.5
159.11670	1.1
163.11145	3.0
167.06955	0.6
173.09671	0.7
175.11153	2.3
176.11401	0.4
177.05447	1.8
177.12727	0.6
181.12077	0.5
183.02872	0.8
184.07294	13.7
185.07677	2.6
185.09177	0.4
189.09105	0.5
193.12228	4.0
194.12549	1.2
195.02882	0.7
195.13818	0.5
211.13193	2.0
212.13718	0.8
243.08418	2.7
249.11110	0.7
251.12561	0.9
252.12978	0.5
253.14314	0.5
267.15891	4.2
268.16202	3.9
269.17368	4.1
270.17725	3.0
283.15421	0.4
285.16956	1.2
286.17325	1.2
287.18253	0.8
288.18671	0.5
297.04044	0.7
305.13477	0.5
307.15417	0.5
353.10144	0.4
404.24500	0.4
421.26096	0.6
422.26004	1.0
439.26837	1.3
440.27414	2.5
444.27890	0.4
448.27783	1.4
453.28696	0.5
461.28827	4.2
462.29251	11.9
462.35812	0.7
465.28214	0.7
466.28619	2.4
467.18872	6.7
469.20502	7.1
470.21008	0.5
480.30234	1.3
498.31183	1.6
553.34961	0.5
603.76788	0.5
613.87665	0.4
695.32196	100.0
696.32587	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	694.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.6
53.04132	0.4
55.01836	1.6
55.05500	7.2
57.03428	11.3
57.07059	0.7
57.32443	0.4
61.02903	1.0
65.03893	0.7
67.05495	21.8
69.03390	1.7
69.07056	5.9
69.44971	0.4
69.45307	3.7
71.01357	2.1
71.04987	3.3
73.02882	0.6
79.05477	18.5
81.03403	36.9
81.07043	13.5
82.03704	0.5
82.07349	0.5
83.04545	0.5
83.04967	6.1
83.08147	0.6
83.08603	10.6
85.02884	2.0
85.06533	2.2
85.98798	0.4
86.09661	1.6
91.05466	12.5
91.41563	0.4
93.07029	25.1
94.07330	0.9
95.04365	0.7
95.04951	13.6
95.08588	5.6
97.02833	1.5
97.06522	6.8
97.09624	0.5
97.10149	5.7
99.04425	0.7
99.08053	1.2
105.07011	6.8
107.04937	3.5
107.08573	18.0
108.08834	0.5
109.06493	2.0
109.10133	4.5
111.04440	0.7
111.08049	4.2
115.05374	0.9
117.07025	2.2
119.04900	0.9
119.07784	0.6
119.08563	8.3
121.06516	2.8
121.09332	0.5
121.10124	6.8
123.08017	1.2
123.11689	0.8
124.99985	1.0
125.09566	1.5
129.06975	3.6
131.08559	4.5
133.06456	1.4
133.10103	4.1
135.07996	1.3
135.11668	28.2
136.11966	0.9
137.09575	2.0
142.07719	1.1
143.08551	0.6
145.10109	6.0
147.04401	0.8
147.08023	1.3
147.11649	3.5
149.09593	2.8
153.12692	1.2
157.10091	5.1
159.11647	0.7
163.11160	4.4
165.12726	1.2
167.23151	0.4
175.11148	5.2
177.05432	0.6
177.12737	0.7
181.12186	5.1
184.07281	4.3
193.12209	13.2
199.13235	0.6
211.13235	1.8
243.15912	0.5
249.14732	2.0
255.15871	57.8
256.16266	2.2
267.15866	38.3
268.16205	1.5
269.17334	0.5
285.16846	1.4
311.19946	0.5
329.20990	0.5
355.23013	0.6
373.23611	0.9
403.24789	1.3
421.25818	8.5
429.26300	0.6
439.27173	0.7
447.27350	100.0
448.27734	6.7
453.28378	1.0
461.29019	1.3
465.28381	3.6
479.29990	3.8
489.28452	1.5
490.29468	0.5
497.30951	2.1
555.29700	0.7
591.31104	0.5
644.35022	0.6
695.31366	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.01862	8.1
55.05502	28.6
57.03430	11.0
57.07061	5.5
60.08152	4.9
65.03934	3.3
67.05493	80.9
69.03419	5.6
69.07056	46.8
71.04993	8.1
71.07352	2.8
71.08626	3.4
79.05482	62.1
81.03404	12.7
81.07046	91.3
82.07410	1.9
83.04977	15.2
83.08607	21.1
85.02888	3.4
85.06536	5.0
86.09689	31.1
91.05464	59.0
93.07030	69.6
94.07340	2.4
95.04960	15.3
95.08592	45.1
97.02854	2.1
97.06515	16.5
97.10146	9.3
98.21527	3.5
98.98452	2.6
99.08089	3.3
103.05449	2.0
105.07012	52.6
107.04940	13.0
107.08572	46.4
109.06515	8.1
109.10136	20.4
111.08065	7.2
115.05453	1.9
117.06990	22.7
119.08560	34.0
121.06493	8.7
121.10123	23.3
123.08054	8.8
123.11691	7.9
124.99986	20.6
125.09622	7.6
128.06245	3.8
128.45158	1.6
129.06978	7.7
131.04907	2.3
131.08546	27.0
133.06487	3.6
133.10103	27.9
135.08069	6.1
135.11676	19.3
137.09598	5.0
141.06982	2.4
143.08554	6.0
145.10106	21.3
147.08025	1.9
147.11650	18.1
149.09615	20.0
149.13223	13.3
151.11127	3.5
153.07018	1.8
155.08490	3.7
157.10080	8.4
159.08044	2.5
159.11662	19.5
161.09651	3.3
161.13252	5.4
163.11104	11.4
165.11322	1.9
165.12675	2.6
169.10141	5.4
171.11697	7.6
173.09671	2.2
173.11859	1.7
173.13237	7.6
175.11154	4.7
177.12767	5.5
178.64690	2.3
179.14346	4.8
181.10193	2.0
181.12257	3.9
181.70509	1.7
183.11684	4.9
184.07312	100.0
185.07561	2.2
185.13335	2.9
187.14876	3.8
189.11177	4.4
193.12338	2.4
195.13782	4.5
197.13217	3.0
207.13776	1.7
209.11609	2.9
209.13354	2.6
227.12720	14.3
229.19586	2.4
233.15335	2.5
239.17920	3.9
247.20485	2.9
255.15794	14.0
257.18964	11.8
259.20520	3.2
267.15854	4.8
269.17413	25.3
275.20029	44.1
290.90057	1.7
291.19443	2.5
293.21024	1.9
313.21600	2.5
336.09366	2.3
349.23651	33.9
355.90866	1.9
367.24768	5.0
410.56680	1.9
410.98816	1.8
433.30426	2.5
435.26984	2.6
439.26840	1.9
445.29446	1.9
449.29031	16.1
451.31989	2.5
463.30563	20.0
469.33340	2.0
485.24216	2.2
487.34033	1.9
503.37045	5.3
504.37390	7.9
522.38641	7.3
525.35474	3.7
529.34894	7.3
543.36676	23.7
547.36401	2.5
553.40607	6.8
561.37799	4.8
623.43085	2.4
641.43237	2.8
694.45923	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	694.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.8
52.58533	0.7
53.03925	2.3
53.86807	0.7
55.01854	3.4
55.05259	0.8
55.05502	13.3
57.03185	1.1
57.03431	13.9
57.07060	0.9
58.06591	0.9
59.04976	2.6
60.08155	6.5
61.02911	5.3
65.03934	1.7
67.05493	87.8
68.05812	1.1
69.03415	6.4
69.07058	13.6
71.01334	1.7
71.04982	25.5
71.07345	2.8
73.02901	2.1
73.95486	0.8
75.26070	0.6
77.03907	1.0
79.05479	29.6
81.03407	51.4
81.07043	39.7
82.03714	1.4
82.07368	1.7
83.04967	16.1
83.08131	1.1
83.08607	22.5
85.02891	22.4
85.06541	6.5
86.09691	32.1
87.04459	0.9
91.03920	2.2
91.05466	40.8
92.05773	1.4
93.07027	35.0
94.07352	1.3
95.04951	24.5
95.08592	20.2
97.02863	5.5
97.06505	9.0
97.10146	4.7
98.20746	1.4
98.98450	2.3
99.04424	1.7
99.08064	2.6
104.10738	2.0
105.07013	24.9
107.04935	7.8
107.08581	16.8
108.60522	0.7
109.02827	0.8
109.06482	5.9
109.10138	64.5
110.10455	1.3
111.04407	1.8
111.08070	12.8
113.06012	1.7
115.05425	1.3
117.07025	4.5
119.04990	0.9
119.08560	25.0
121.06470	3.1
121.10122	14.2
123.08043	3.6
123.11664	3.2
124.99988	17.9
125.05978	1.6
125.09621	3.3
127.03902	1.6
127.07508	1.7
129.06981	9.9
129.62894	0.7
131.08559	11.4
133.06464	2.6
133.10110	14.3
135.07982	1.6
135.11664	14.5
137.09596	14.3
139.07512	0.8
142.07771	1.9
143.08496	1.5
145.02884	1.0
145.10103	7.5
147.04320	1.6
147.08014	3.8
147.11668	16.6
148.12006	0.9
149.09608	5.4
149.13226	2.1
151.11099	1.5
155.08507	1.0
155.10658	2.7
156.50499	0.8
157.10088	13.0
159.11655	2.6
161.09604	1.2
163.11160	5.2
165.12701	4.6
169.12157	1.8
171.11728	1.2
173.04291	0.9
173.09607	0.8
173.10312	1.0
173.11722	9.1
173.13121	1.5
173.87502	0.8
175.11147	12.6
177.05482	1.7
181.12216	2.7
183.11647	1.0
184.07309	100.0
185.07716	1.1
185.13251	1.2
187.13229	1.5
187.14792	0.9
193.12212	39.7
194.12611	1.2
195.13870	1.0
211.13263	35.8
212.13579	1.8
227.12730	0.8
229.14352	3.1
229.59048	0.8
237.14813	0.9
239.16335	1.0
243.15895	2.8
253.14223	0.8
255.15889	12.0
267.15872	21.1
268.16306	1.3
269.17310	4.9
285.16937	23.9
286.17270	2.7
287.18472	21.3
311.19983	0.8
403.24625	2.6
403.88263	0.8
421.25769	28.8
422.26202	1.2
429.26282	1.6
431.22485	1.2
439.26846	79.1
440.27136	3.4
447.27386	41.1
448.27744	1.4
453.28455	9.6
461.28848	15.9
465.28412	58.2
466.28674	2.2
469.20230	0.9
474.20789	0.8
478.28683	1.4
479.29898	9.4
495.29257	1.3
496.29614	1.8
497.30997	66.9
498.31091	1.8
569.04108	0.7
609.32452	1.4
611.94891	0.8
641.35480	1.7
644.25256	1.5
644.35431	18.2
645.35205	1.4
694.37415	0.9
695.31842	3.0
700.33984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.1
55.05494	0.2
56.05019	0.5
57.03406	0.2
58.06295	0.2
58.06565	1.1
59.07362	0.7
60.08154	5.6
67.05489	0.4
69.03425	0.1
69.07062	0.2
70.06585	0.2
71.01537	0.2
71.04971	0.1
71.06964	0.1
71.07362	2.2
79.05482	0.4
80.97388	0.1
81.03403	0.5
81.07028	0.4
83.04961	0.2
83.08625	0.2
85.02890	0.2
85.06504	0.1
86.09691	26.5
87.10021	0.3
91.05474	0.5
93.07016	0.4
95.04942	0.3
95.08581	0.3
97.02870	0.1
97.06537	0.1
98.98444	1.7
99.04474	0.1
99.59652	0.1
104.10729	1.8
105.07037	0.3
107.08582	0.3
109.06515	0.1
109.10118	0.2
111.08074	0.1
118.78462	0.1
119.04921	0.1
119.08576	0.2
121.06499	0.1
121.10152	0.3
123.04416	0.2
124.99982	16.9
125.89753	0.1
127.03905	0.1
129.06953	0.2
131.08525	0.2
133.10065	0.2
135.08037	0.1
136.06465	0.1
137.09538	0.2
143.01013	0.3
145.40218	0.1
147.04382	0.5
147.11670	0.2
149.02324	0.1
149.09612	0.1
153.01839	0.2
163.01538	0.2
163.03877	0.1
165.09132	0.1
166.02539	0.1
167.10661	0.1
175.11163	0.1
177.05424	0.1
184.07309	100.0
185.07674	0.5
193.12222	0.2
207.06506	0.1
211.13304	0.2
212.13979	0.1
222.08876	0.8
224.10411	0.4
224.22658	0.1
238.08420	0.1
240.10002	0.3
267.16006	0.2
269.21222	0.1
282.11215	0.1
285.16992	0.2
287.14740	0.1
305.06778	0.1
354.13080	0.1
447.27191	0.1
450.22559	0.1
461.28281	0.1
466.22336	0.1
468.23761	0.1
491.22388	0.2
497.27051	0.4
504.82330	0.1
509.23914	0.2
522.24622	0.1
592.32343	0.1
676.34479	0.2
694.35492	10.9
695.36157	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.8
52.58533	0.7
53.03925	2.3
53.86807	0.7
55.01854	3.4
55.05259	0.8
55.05502	13.3
57.03185	1.1
57.03431	13.9
57.07060	0.9
58.06591	0.9
59.04976	2.6
60.08155	6.5
61.02911	5.3
65.03934	1.7
67.05493	87.8
68.05812	1.1
69.03415	6.4
69.07058	13.6
71.01334	1.7
71.04982	25.5
71.07345	2.8
73.02901	2.1
73.95486	0.8
75.26070	0.6
77.03907	1.0
79.05479	29.6
81.03407	51.4
81.07043	39.7
82.03714	1.4
82.07368	1.7
83.04967	16.1
83.08131	1.1
83.08607	22.5
85.02891	22.4
85.06541	6.5
86.09691	32.1
87.04459	0.9
91.03920	2.2
91.05466	40.8
92.05773	1.4
93.07027	35.0
94.07352	1.3
95.04951	24.5
95.08592	20.2
97.02863	5.5
97.06505	9.0
97.10146	4.7
98.20746	1.4
98.98450	2.3
99.04424	1.7
99.08064	2.6
104.10738	2.0
105.07013	24.9
107.04935	7.8
107.08581	16.8
108.60522	0.7
109.02827	0.8
109.06482	5.9
109.10138	64.5
110.10455	1.3
111.04407	1.8
111.08070	12.8
113.06012	1.7
115.05425	1.3
117.07025	4.5
119.04990	0.9
119.08560	25.0
121.06470	3.1
121.10122	14.2
123.08043	3.6
123.11664	3.2
124.99988	17.9
125.05978	1.6
125.09621	3.3
127.03902	1.6
127.07508	1.7
129.06981	9.9
129.62894	0.7
131.08559	11.4
133.06464	2.6
133.10110	14.3
135.07982	1.6
135.11664	14.5
137.09596	14.3
139.07512	0.8
142.07771	1.9
143.08496	1.5
145.02884	1.0
145.10103	7.5
147.04320	1.6
147.08014	3.8
147.11668	16.6
148.12006	0.9
149.09608	5.4
149.13226	2.1
151.11099	1.5
155.08507	1.0
155.10658	2.7
156.50499	0.8
157.10088	13.0
159.11655	2.6
161.09604	1.2
163.11160	5.2
165.12701	4.6
169.12157	1.8
171.11728	1.2
173.04291	0.9
173.09607	0.8
173.10312	1.0
173.11722	9.1
173.13121	1.5
173.87502	0.8
175.11147	12.6
177.05482	1.7
181.12216	2.7
183.11647	1.0
184.07309	100.0
185.07716	1.1
185.13251	1.2
187.13229	1.5
187.14792	0.9
193.12212	39.7
194.12611	1.2
195.13870	1.0
211.13263	35.8
212.13579	1.8
227.12730	0.8
229.14352	3.1
229.59048	0.8
237.14813	0.9
239.16335	1.0
243.15895	2.8
253.14223	0.8
255.15889	12.0
267.15872	21.1
268.16306	1.3
269.17310	4.9
285.16937	23.9
286.17270	2.7
287.18472	21.3
311.19983	0.8
403.24625	2.6
403.88263	0.8
421.25769	28.8
422.26202	1.2
429.26282	1.6
431.22485	1.2
439.26846	79.1
440.27136	3.4
447.27386	41.1
448.27744	1.4
453.28455	9.6
461.28848	15.9
465.28412	58.2
466.28674	2.2
469.20230	0.9
474.20789	0.8
478.28683	1.4
479.29898	9.4
495.29257	1.3
496.29614	1.8
497.30997	66.9
498.31091	1.8
569.04108	0.7
609.32452	1.4
611.94891	0.8
641.35480	1.7
644.25256	1.5
644.35431	18.2
645.35205	1.4
694.37415	0.9
695.31842	3.0
700.33984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
54.15610	0.2
55.01869	2.4
55.05499	23.8
55.65814	0.2
57.03420	3.3
57.07064	7.6
57.75905	0.3
60.08146	0.4
65.03924	0.7
67.05121	0.3
67.05489	12.5
69.03407	1.1
69.07053	23.8
70.07385	0.5
71.04984	2.0
71.08611	4.7
73.02914	0.3
73.96868	0.3
73.99467	0.2
79.05475	10.8
81.03401	13.8
81.07040	13.8
83.04961	4.5
83.08601	22.3
84.08936	0.3
85.02887	7.6
85.06513	0.9
85.10161	2.0
86.09682	1.7
87.09999	0.3
87.32758	0.2
91.05463	15.9
92.05779	0.4
93.06455	0.6
93.07023	8.9
95.04949	9.0
95.08585	7.3
97.02854	0.8
97.06510	2.6
97.10146	13.2
98.98444	3.0
99.08085	0.5
103.05471	0.5
105.07010	11.0
107.04942	2.6
107.08568	4.1
109.06505	1.9
109.10147	1.9
111.04445	0.7
111.08060	2.6
111.11687	3.1
113.05985	0.8
115.05440	0.6
117.07001	1.2
119.08561	8.3
121.06465	0.6
121.10115	4.5
123.08053	1.0
123.11687	0.9
124.99951	1.0
125.09625	0.5
125.13235	0.7
128.06209	0.3
129.06978	4.9
131.08543	3.9
133.06459	0.8
133.10095	5.0
135.11662	1.6
137.09586	0.6
142.07759	1.5
145.10117	1.1
147.08037	1.3
147.11658	4.4
149.09583	2.0
149.13261	0.5
155.00981	1.0
157.10121	4.0
163.11108	0.7
165.12721	0.7
173.02087	0.4
175.11151	3.9
183.00493	0.3
184.07283	5.7
185.07629	0.9
193.12210	10.1
211.13240	10.3
227.12695	0.6
237.22061	3.6
248.25864	0.3
249.14864	1.1
256.66440	0.3
267.15854	4.7
285.16916	1.7
311.25775	4.7
403.15344	0.4
416.21045	0.3
475.37845	0.7
485.36093	0.9
492.07025	0.3
503.37201	9.4
504.37524	1.1
521.38275	100.0
522.38611	7.9
657.37323	0.4
693.44208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01862	2.5
55.05502	19.9
56.05817	0.3
57.03431	3.0
57.07065	6.8
65.03926	0.7
67.05495	11.0
69.03402	1.1
69.07057	21.7
71.04967	1.7
71.08618	4.5
73.07973	0.3
74.03935	0.3
77.65956	0.3
79.05479	9.9
81.03408	11.9
81.07040	12.3
82.03728	0.4
83.04969	4.7
83.08604	19.0
85.02896	6.7
85.06521	0.4
85.10171	1.9
86.09676	0.8
91.05462	12.8
92.05803	0.3
93.07028	8.2
95.04951	7.3
95.08587	6.0
97.02878	0.7
97.06514	2.4
97.10152	11.6
98.20602	0.5
98.98445	2.6
99.08065	0.7
105.07008	8.8
107.04936	2.8
107.08572	3.6
109.06477	1.8
109.10143	1.7
111.04421	0.8
111.08055	1.9
111.11697	2.7
113.05964	0.7
115.05419	0.4
117.07008	1.1
119.08563	7.3
121.06432	0.5
121.10117	4.1
123.08049	1.0
123.11693	0.7
125.00009	0.4
125.09608	0.4
125.13271	1.0
125.77866	0.3
129.06992	3.7
131.08534	3.7
133.06497	1.0
133.10104	4.2
135.08058	0.5
135.11688	1.6
142.07719	1.0
143.08495	0.4
145.10110	0.8
147.08008	0.8
147.11661	3.7
149.09563	1.8
149.13274	0.3
155.01010	1.1
157.10089	3.4
163.11128	0.5
163.14767	0.3
165.12758	0.8
173.02065	0.5
175.11189	4.5
184.07289	2.5
185.07791	0.4
193.12218	9.1
194.12602	0.4
209.11760	1.2
211.13257	9.9
227.12729	0.7
231.99376	0.3
237.22092	4.1
244.29335	0.4
249.14815	0.7
265.14429	0.3
267.15891	4.6
285.16959	1.9
311.25739	5.1
312.26300	0.4
313.27295	0.6
363.25751	0.3
475.37933	0.7
485.36240	0.7
503.37256	9.9
504.37549	1.3
521.38287	100.0
522.38617	5.9
553.40485	0.4
668.81006	0.4
693.43799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01859	1.5
55.05501	3.8
56.05839	0.3
57.03423	3.6
57.07048	0.5
59.04991	0.3
61.02917	4.6
64.12801	0.4
65.03919	0.5
67.05493	12.0
68.05826	1.2
69.03412	3.5
69.07056	3.6
70.07394	0.5
70.22025	1.6
71.01334	0.5
71.04981	1.0
73.02908	3.2
79.05482	9.5
80.05809	1.1
81.03407	7.3
81.06566	0.8
81.07045	13.5
82.03745	0.5
82.07381	1.8
83.04964	3.4
83.08609	4.3
84.08933	0.3
85.02892	6.0
85.06546	0.8
86.09682	0.7
87.04452	0.5
91.03942	2.9
91.05469	8.7
92.05797	0.8
93.07031	9.9
94.07380	1.3
95.04958	4.5
95.08601	5.1
96.05288	0.5
96.08923	0.5
97.02874	4.7
97.06533	1.6
97.10159	1.5
98.21449	0.4
99.04457	1.0
99.08084	0.8
101.02352	1.8
103.03947	0.5
104.37415	0.4
105.07016	4.6
107.04949	2.5
107.08574	5.0
108.08943	1.0
109.02883	1.1
109.06506	1.2
109.10143	2.1
111.04425	0.9
111.08080	1.4
115.03881	0.4
116.04708	0.6
117.07028	1.8
119.04935	0.8
119.08579	4.2
120.08908	0.6
121.06480	0.7
121.10120	2.2
122.10452	0.7
123.08070	1.2
123.11718	0.7
125.09611	1.2
127.03925	1.4
129.05470	2.0
129.06937	1.8
130.07751	0.4
131.08546	2.4
132.08891	0.6
133.10110	3.4
134.10413	0.7
135.08052	0.4
135.11705	1.3
137.09622	0.7
143.07045	0.5
143.08534	0.8
145.10118	1.7
146.10455	0.4
147.04417	2.8
147.08028	0.6
147.11655	3.6
148.12088	0.4
149.09624	1.0
149.13266	1.9
150.13605	0.8
151.11125	0.4
153.09062	0.4
153.12785	0.4
157.08655	0.4
157.10152	1.2
159.11671	1.2
160.12051	0.6
161.13235	0.8
163.11203	1.2
164.11526	0.5
171.10373	0.4
171.11665	1.8
173.13341	0.4
175.11197	1.2
177.12732	0.5
181.12250	0.5
184.07318	2.4
185.04083	0.6
189.12743	0.6
193.12228	1.5
195.13811	1.5
196.14162	0.6
199.13284	0.9
200.13618	0.6
207.13841	0.6
209.11763	1.2
210.12132	0.3
211.13289	0.9
227.12730	0.8
243.08435	2.0
247.13109	1.3
251.12518	0.8
258.95294	0.4
267.15875	0.9
268.16324	0.9
269.17407	4.4
270.17780	3.8
281.17557	0.5
283.15491	1.5
284.15714	1.0
285.10101	0.5
285.16879	1.0
301.16327	2.9
302.16846	1.6
303.15826	0.7
351.25394	0.8
394.26773	0.7
411.27328	0.4
412.27811	1.6
423.27527	0.6
424.27744	2.5
460.27786	1.0
464.17932	0.4
465.20905	10.3
465.27591	0.6
466.21646	0.4
469.20325	6.2
473.78015	0.4
477.28470	1.2
478.28668	5.1
479.30121	0.5
495.29492	2.6
496.29840	9.4
531.29706	0.5
586.04321	0.4
622.32837	1.5
640.33984	2.2
693.34448	100.0
694.34723	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	693.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
57.07056	0.5
67.05492	1.1
69.07052	1.6
69.48465	1.1
69.48898	1.0
71.08618	0.3
79.05470	0.5
81.07043	2.0
83.08599	1.1
91.05473	0.5
93.07047	0.6
95.04936	0.2
95.08590	0.9
97.10160	0.5
103.88129	0.2
105.07024	0.7
107.08585	0.7
111.11689	0.3
118.92830	0.2
119.08562	0.7
119.15934	0.2
121.10205	0.4
123.11693	0.5
131.08640	0.3
135.11700	0.3
147.11703	1.0
154.68069	0.2
155.95753	0.2
157.02377	0.2
165.12750	0.4
170.08278	0.3
185.07697	0.2
202.12305	0.3
206.71213	0.2
222.18149	0.2
234.71146	0.2
267.15906	1.5
311.25693	0.3
377.17575	0.5
378.18256	0.4
379.19122	1.0
380.19672	0.3
390.18588	0.4
391.19421	1.2
392.19943	1.0
393.16675	0.2
393.20959	1.6
394.21429	0.3
403.19217	0.3
404.67749	0.2
405.16418	2.3
405.21002	0.8
406.17755	0.9
406.21997	0.7
407.18359	1.0
407.22714	4.3
408.23001	0.8
419.18234	3.0
420.19168	2.3
421.20193	4.3
421.24469	0.3
423.22025	0.5
431.18268	0.4
433.19897	3.5
434.21048	4.2
435.21838	6.6
436.22571	0.9
444.19550	0.4
445.20062	0.8
446.20947	0.4
447.22418	1.3
448.18860	0.4
449.19382	3.9
450.20218	0.4
451.21188	0.3
458.21738	0.3
458.41501	0.3
459.21628	3.0
460.22583	1.4
461.23566	1.3
463.21225	1.5
464.22006	1.4
466.23886	0.3
477.22696	0.4
479.20624	0.7
489.22910	0.3
493.22668	1.0
495.24030	0.3
506.23221	0.3
507.23785	0.9
519.23810	1.0
519.31085	0.4
521.25555	10.7
521.38043	6.4
522.25769	0.8
523.26868	0.8
524.18774	0.3
533.28839	1.2
535.23596	0.5
545.29242	1.0
546.30005	2.7
547.29828	2.2
549.24951	0.6
550.25250	0.4
553.28387	0.3
559.30579	1.2
560.31305	0.4
567.25610	0.3
573.32013	0.4
574.25366	0.3
578.32660	0.4
581.27515	4.2
582.28180	0.5
591.29175	1.2
605.32770	0.5
606.27563	1.2
615.33484	0.4
633.34241	14.9
634.34479	0.7
661.34070	0.4
665.37091	0.5
693.36292	100.0
694.36603	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	692.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.1
55.01868	0.3
55.05502	1.3
56.05018	0.4
57.03424	0.3
57.07053	0.5
57.15414	0.1
58.06320	0.2
58.06618	0.4
59.07386	0.2
60.08153	5.6
60.08463	0.3
65.03937	0.1
67.05492	1.8
69.03412	0.2
69.07053	1.8
70.06602	0.2
71.04969	0.3
71.07362	2.8
71.08606	0.4
79.05479	1.5
81.03399	1.0
81.07042	1.8
83.04971	0.5
83.08607	1.3
85.02885	0.4
85.06550	0.1
85.10157	0.1
86.09693	29.1
87.10046	0.2
91.05466	1.5
93.07029	1.5
95.04950	0.7
95.08601	1.0
97.02888	0.1
97.06509	0.4
97.10153	0.8
98.98450	2.6
101.06008	0.1
104.10728	2.2
105.07008	1.1
107.04958	0.2
107.08575	0.8
109.06515	0.3
109.10160	0.7
111.08086	0.3
111.11723	0.2
117.07010	0.5
119.08546	0.7
121.10146	0.5
123.08050	0.1
123.11698	0.2
124.99985	18.2
125.09583	0.1
127.07515	0.1
129.06967	0.3
131.08559	0.7
133.06442	0.1
133.10091	0.9
135.11659	0.3
143.01019	0.2
145.10107	0.3
146.89751	0.1
147.08017	0.2
147.11687	0.5
149.09624	0.3
151.11180	0.2
155.01006	0.2
157.10097	0.4
159.11676	0.2
163.11200	0.3
166.02652	0.2
175.11253	0.2
184.07310	100.0
185.07649	0.7
193.12273	0.4
207.53989	0.1
211.13312	0.4
227.12715	0.2
230.03189	0.1
237.22128	0.2
253.14354	0.4
267.15869	0.3
275.19995	0.2
291.19772	0.1
302.42554	0.1
308.29578	0.1
311.25684	0.2
313.27380	0.2
349.23691	0.2
379.64713	0.1
379.70004	0.1
496.34131	0.3
503.37277	0.6
520.36957	0.7
521.38348	4.2
530.39203	0.2
655.03644	0.1
657.48999	0.1
674.44208	0.1
692.44867	8.4
693.44647	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.05503	34.0
57.03144	1.6
57.03419	20.8
57.07053	2.7
59.04998	4.8
61.02921	9.6
65.03935	2.3
67.05493	100.0
68.05824	1.0
69.03409	3.7
69.07055	20.5
71.01339	2.1
71.04984	7.3
73.02909	5.5
79.05479	40.7
80.05806	0.8
81.03407	15.3
81.03848	1.2
81.07043	74.1
83.04971	11.4
83.08604	24.9
85.02409	1.5
85.02893	20.9
85.06522	6.8
87.04456	5.5
91.03938	4.1
91.04897	1.6
91.05463	25.3
93.07027	46.1
95.04954	10.1
95.08589	23.3
97.02878	6.7
97.06513	11.2
97.10154	15.9
99.04436	2.2
99.08085	2.3
101.02340	0.8
103.03924	1.6
103.05475	0.8
105.07017	13.3
107.04937	3.5
107.08579	31.9
107.99602	0.7
108.53118	0.6
109.02858	0.8
109.06500	4.0
109.10137	57.0
111.04462	2.2
111.08068	7.6
116.04704	1.6
117.07010	7.8
119.08562	12.4
121.06464	3.7
121.10130	13.7
123.08051	2.4
123.11668	4.5
125.09608	15.5
127.03903	1.6
127.11146	1.0
129.05481	6.2
129.06973	2.7
131.08562	9.8
132.16911	0.7
133.10107	13.9
133.11060	1.0
135.08063	2.1
135.11687	11.0
137.09599	3.5
139.07516	1.1
143.07033	1.3
143.10681	2.3
145.10095	5.7
147.08073	2.2
147.11658	5.9
149.09665	2.1
149.13240	14.4
151.11130	2.0
151.82773	0.8
153.12726	3.6
155.08543	1.0
155.10687	2.3
157.08606	0.8
157.10107	1.9
159.11642	7.9
163.11153	9.7
163.87625	0.7
165.12738	3.3
167.14316	1.0
173.09596	1.5
173.10069	1.2
173.11719	17.5
173.13135	1.5
175.11186	2.3
177.12692	4.4
181.12236	2.6
184.07317	2.1
185.11688	1.1
189.11224	1.0
191.10674	2.9
193.12225	5.3
195.13774	13.8
199.13243	7.6
199.14670	0.8
209.11684	8.7
211.13226	4.5
213.14784	1.9
217.14383	0.8
227.12730	9.8
229.14310	60.3
230.14717	1.2
239.16425	4.5
254.48389	0.7
255.15807	1.2
257.13907	1.8
264.12305	0.7
265.14285	1.0
267.15869	10.6
269.17432	63.3
270.17844	1.8
283.15399	6.8
285.17090	1.1
295.19171	0.9
299.67154	0.9
301.16428	20.0
313.16364	0.8
323.18597	1.7
357.24213	1.5
393.26135	3.3
411.27325	7.0
422.26334	1.1
423.27359	38.2
424.27625	1.3
431.28140	2.7
449.28973	2.5
477.28635	3.2
495.29456	75.7
496.30045	3.9
513.30499	31.3
671.83545	0.8
693.32269	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	692.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03930	1.6
55.01862	3.0
55.05502	16.1
57.03426	11.8
57.07068	2.6
57.18022	0.5
59.04985	2.0
61.02919	5.6
65.03927	2.3
67.05495	77.7
69.03423	3.2
69.06714	1.2
69.07060	16.2
70.22242	2.2
71.01346	0.7
71.04591	0.8
71.04981	14.2
73.02906	2.5
73.06541	1.0
79.05479	30.3
81.03410	6.6
81.07044	88.6
82.07378	1.2
83.04968	7.9
83.08605	15.3
85.02897	7.7
85.06524	7.3
87.04454	2.2
91.03935	1.4
91.04882	0.7
91.05464	21.7
93.07030	43.1
95.04954	6.3
95.08593	16.5
97.02876	3.1
97.06508	11.3
97.10165	6.0
99.04447	1.1
99.08055	3.1
105.07014	9.8
107.04954	1.8
107.08578	28.1
109.06519	3.0
109.10136	21.9
111.04414	0.8
111.08079	6.0
117.07005	8.2
119.08548	5.0
121.06506	1.8
121.10121	15.9
123.08043	1.3
123.11687	10.3
125.09611	5.3
127.03889	1.0
129.05466	1.9
131.08556	8.8
133.10107	17.7
135.08072	0.9
135.11671	8.9
136.55945	0.6
137.09583	0.9
139.11160	1.3
145.10132	2.2
147.11690	2.3
149.09648	1.0
149.13232	21.5
151.11166	5.5
153.12769	1.3
155.10669	1.0
157.10129	0.7
159.11670	11.6
163.11154	2.1
165.12712	2.0
169.12257	0.9
171.11621	0.7
173.04584	0.7
173.11769	4.4
173.13142	1.0
177.12730	5.8
181.12286	1.3
183.13818	1.3
184.07329	1.5
187.13255	3.3
191.10591	0.8
193.12248	1.6
195.13783	10.3
199.13283	3.0
209.11737	1.8
211.13329	1.2
213.14886	1.6
227.12634	3.4
229.14317	21.4
239.16409	1.3
251.16382	0.9
257.17661	1.1
267.15939	2.6
269.17432	41.1
270.17859	1.0
283.15414	2.0
297.16812	0.7
301.16428	7.2
301.20074	7.8
393.26328	1.3
411.27173	2.9
423.27347	19.1
437.28925	35.7
438.29239	1.3
451.30505	6.3
463.30472	100.0
464.30862	3.8
477.28482	1.2
495.32907	25.7
496.33319	1.0
513.30438	7.5
639.37347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01861	13.6
55.05254	2.1
55.05501	27.2
56.04332	1.1
57.03144	1.5
57.03427	26.7
57.07066	2.3
59.04988	1.9
61.02910	10.2
65.03926	3.0
67.05492	75.2
68.05824	1.0
69.03413	6.0
69.07053	19.1
69.48051	10.3
70.34243	0.9
71.04987	7.2
73.02906	8.3
79.05479	46.7
81.03403	21.1
81.03848	1.8
81.07043	79.7
82.04182	4.6
83.04961	14.9
83.08602	22.2
84.02122	1.4
85.02884	10.2
85.06535	5.0
86.09707	1.1
87.04454	1.6
91.03950	2.6
91.05465	39.0
93.07027	55.1
95.04953	19.2
95.08591	24.9
97.02869	8.5
97.06520	12.8
97.10150	15.1
98.07303	5.2
99.04439	2.7
99.08096	2.9
105.07016	15.1
107.04959	6.1
107.08577	36.9
108.79367	1.1
108.80108	1.3
109.06487	4.3
109.10134	16.0
111.04461	1.5
111.08079	8.2
113.05983	1.7
115.05445	1.3
116.04692	15.8
117.05520	1.8
117.06983	12.2
119.08561	12.3
120.60001	1.0
121.06467	5.2
121.10129	13.6
123.08059	6.5
123.11665	5.0
125.09611	18.8
127.03879	1.5
127.11199	2.1
129.05458	34.8
129.06982	4.1
131.08530	12.9
133.06416	1.5
133.10104	22.9
135.08037	3.5
135.11665	14.1
137.09627	2.8
139.11177	1.3
143.06984	6.8
143.08623	1.2
143.10634	1.9
145.10121	5.3
147.04381	1.4
147.08049	1.5
147.11641	7.2
149.09590	2.8
149.13248	19.6
151.11168	2.5
153.12741	3.4
155.08572	1.1
157.08594	14.2
157.10110	4.6
158.05777	2.2
159.11659	12.9
163.11169	7.8
165.12640	1.7
167.14447	1.4
171.06508	3.1
171.10152	4.1
173.11714	5.3
175.11147	3.9
177.12698	5.0
181.12236	2.2
184.07372	3.3
185.08003	1.7
185.11678	2.4
189.11215	7.7
191.10654	2.8
193.12163	7.3
195.13759	19.4
199.13229	14.0
199.14940	1.7
200.14014	2.3
209.11685	7.0
210.12444	1.6
211.13271	6.6
213.14830	3.7
223.13387	1.2
227.12704	13.0
229.14308	4.4
251.16414	1.2
255.15891	1.9
265.14325	1.8
267.15891	9.4
269.17429	77.8
283.15268	9.8
285.16870	2.1
301.16406	72.1
323.18466	2.7
393.26358	5.6
411.27267	14.8
423.27368	35.2
429.46973	1.2
459.27231	1.5
461.29034	3.9
477.28278	15.3
478.29160	4.8
495.29465	100.0
496.29636	2.8
513.30426	1.4
639.33313	1.2
692.33691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11096	0.8
53.03926	3.1
55.01621	1.0
55.01863	11.0
55.05264	1.5
55.05505	23.7
57.03429	21.2
57.07058	3.4
59.04977	1.2
61.02919	6.8
65.03925	2.0
67.05495	73.9
69.03416	9.3
69.07055	22.7
69.96249	3.6
71.01338	1.9
71.04984	7.0
73.02901	4.7
79.05481	44.1
80.06226	1.0
81.03405	24.7
81.07046	74.7
82.04175	3.8
83.04968	13.7
83.08135	1.2
83.08610	19.6
83.19808	0.8
85.02884	8.8
85.06541	4.2
86.09698	2.9
87.04449	1.5
91.03930	3.4
91.05468	28.6
93.07030	53.7
95.04949	18.9
95.08589	23.7
97.02872	8.6
97.06515	14.3
97.10159	13.2
98.07310	4.1
99.04437	3.4
99.08080	2.9
103.03913	1.3
103.92482	0.9
104.01043	0.9
104.10709	0.8
105.07007	13.1
107.04956	8.1
107.08578	34.9
108.05688	0.9
109.02842	2.1
109.06517	4.7
109.10133	16.8
110.07339	0.8
111.04420	2.6
111.08056	8.1
113.05965	1.6
115.05472	1.3
116.04697	8.5
117.07000	12.4
119.07890	1.1
119.08577	10.8
121.06480	3.5
121.09301	1.3
121.10120	17.7
123.08051	5.0
123.11673	3.5
125.00002	2.2
125.09613	13.6
127.03880	3.9
127.07533	0.9
127.11148	1.4
129.05463	16.8
129.06979	3.6
131.08565	13.3
133.06578	0.9
133.10114	14.5
135.04413	0.9
135.08055	4.1
135.11673	14.6
136.08879	1.3
137.09578	3.4
139.11156	2.0
142.07693	1.1
143.07016	5.9
143.08522	1.7
143.10629	1.1
144.09091	0.8
145.10117	7.2
147.08028	2.7
147.11655	7.3
149.09602	3.8
149.13243	28.1
151.11186	1.9
153.09157	1.6
153.12717	3.2
157.08569	7.9
157.10088	4.0
158.05710	1.3
159.11670	13.0
163.11194	10.4
165.12694	1.5
167.14325	0.9
171.06480	2.2
171.10135	3.3
173.09601	2.9
173.11717	3.9
175.11163	3.7
176.35878	0.9
177.12704	7.5
181.12199	2.8
184.07300	7.4
185.08093	1.6
189.11177	3.8
191.10693	4.1
193.12210	5.7
195.13785	13.9
199.13280	12.9
200.14098	1.3
209.11687	8.6
211.13277	4.4
213.14845	3.0
217.14244	2.0
227.12772	8.5
229.14334	3.9
230.28107	1.0
253.14409	1.3
255.15927	2.4
265.14316	3.4
267.15884	8.6
269.17438	78.6
270.17859	1.1
283.15393	14.3
285.16968	2.9
301.16409	45.9
323.18591	2.7
351.21457	1.1
373.18549	1.0
393.26352	6.7
411.27255	10.6
413.21429	1.6
423.27402	26.9
449.28864	1.6
459.27496	5.2
459.33459	1.1
460.28287	2.2
461.28903	3.5
477.28430	22.2
478.29187	9.9
483.43854	0.9
495.29468	100.0
496.29868	1.4
621.32220	4.2
639.33826	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	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.05256	0.9
55.05500	12.8
57.03429	12.7
57.07056	1.2
59.04988	1.4
59.58665	0.7
60.08143	1.3
61.02918	4.9
65.03925	1.2
66.90810	0.7
67.05496	33.3
68.99087	0.6
69.03428	4.1
69.07057	12.8
70.88515	1.4
70.88892	1.5
71.01344	0.9
71.04978	5.5
73.02901	2.2
75.57326	0.7
77.03894	0.7
79.05482	26.3
81.03407	47.6
81.07047	63.7
82.03738	1.0
82.07375	1.0
83.04977	13.2
83.08125	1.4
83.08609	23.5
85.02890	19.3
85.06535	5.9
86.09686	4.2
87.04440	1.0
91.03946	1.8
91.05469	30.3
93.06463	1.3
93.07036	21.9
95.04953	19.0
95.08044	1.5
95.08598	18.2
97.02886	5.5
97.06520	6.0
97.10150	4.5
99.04414	1.6
99.08066	3.8
101.05949	1.0
105.07021	33.1
107.04945	5.8
107.08585	12.9
109.02840	0.8
109.06522	7.4
109.10139	4.8
111.04406	2.6
111.08056	8.6
113.06013	2.0
115.05407	1.0
117.07010	3.0
119.04945	1.6
119.08572	27.4
120.08844	0.9
121.06500	1.7
121.10127	17.4
123.04393	0.9
123.08079	4.5
123.11689	17.5
124.99970	2.6
125.09612	1.3
127.03899	1.1
127.07552	2.4
129.05476	1.5
129.06998	9.9
131.08557	8.7
133.06450	1.8
133.10103	9.4
135.08058	0.9
135.11676	3.2
137.09627	1.7
137.13197	1.4
142.07726	1.3
143.08553	1.1
145.10088	3.6
147.04344	1.1
147.08009	1.9
147.11670	52.5
148.12029	1.3
149.09630	3.9
149.13208	1.4
151.11153	1.1
157.10103	13.6
159.11580	0.9
161.09621	0.9
163.11148	3.5
165.12744	17.1
171.11595	1.1
173.13245	0.9
175.11172	12.3
183.13794	1.6
184.07317	15.8
193.12225	31.8
194.12613	1.1
209.11719	1.0
211.13266	53.5
212.13683	1.4
227.12749	2.6
229.14354	4.2
243.15854	1.0
255.15833	0.9
267.15878	71.5
268.16275	1.7
269.17447	4.0
283.15372	3.3
284.15790	1.0
285.16925	100.0
286.17236	2.4
301.16388	2.1
423.27475	1.1
437.25446	1.1
451.26694	1.7
459.27396	4.9
477.28378	28.1
478.29053	0.9
494.27814	1.7
495.29462	93.3
496.29767	3.1
530.15112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01860	2.4
55.05251	1.5
55.05499	16.3
56.20201	0.8
57.02607	0.7
57.03428	12.3
59.04978	1.5
61.02908	3.3
65.03937	1.7
67.05494	20.5
69.03423	5.3
69.07056	6.9
71.01390	0.7
71.01767	1.5
71.04975	4.5
73.02903	1.0
79.05479	25.5
81.03403	72.5
81.07041	29.2
83.04967	16.8
83.08603	26.7
83.09107	1.3
85.02892	32.1
85.06521	1.7
91.05463	34.0
93.07026	18.5
95.04953	29.7
95.05432	0.6
95.08588	9.7
95.09161	1.1
95.98979	0.8
97.02874	4.4
97.06513	3.8
97.10157	4.9
105.07010	23.8
107.04943	8.8
107.08588	7.0
109.06522	5.5
109.10151	3.1
111.04428	3.5
111.08056	10.9
113.06000	2.9
115.05432	2.6
116.22075	0.8
117.06997	2.2
119.08557	18.8
121.06476	1.9
121.10115	9.5
123.08047	3.5
123.11666	1.4
125.09615	1.2
127.07545	0.9
128.06288	0.8
129.06989	14.1
131.08543	13.3
133.05554	0.9
133.06470	3.4
133.10095	14.5
135.11659	0.9
137.09607	1.8
142.07768	2.5
145.10097	2.1
147.08012	3.0
147.10495	1.0
147.11653	16.3
149.09613	7.0
149.27132	0.9
157.10092	16.7
157.11279	1.2
159.04295	0.8
163.11111	1.0
165.12746	3.3
175.11163	17.6
184.07480	0.9
193.10378	1.4
193.12213	51.4
211.13249	94.0
212.13550	1.0
249.14883	1.3
267.15887	38.2
268.16174	1.0
282.28033	0.8
285.16922	100.0
286.17203	1.5
367.22592	3.6
385.23660	3.6
403.24728	1.4
433.25824	2.6
459.27295	28.4
460.27768	1.6
477.28387	32.3
478.28500	1.3
495.29456	95.5
496.29874	3.9
558.21857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
57.03411	0.2
57.07069	1.3
67.05496	2.3
69.07052	1.0
69.61646	1.0
69.62075	1.2
71.08607	1.2
79.05494	1.9
81.03418	0.4
81.07040	2.3
83.04966	0.4
83.08617	1.1
85.10185	0.5
91.05471	1.8
93.07015	2.0
95.04947	0.6
95.08580	1.5
97.10153	0.3
98.98472	0.5
105.07021	1.5
107.08574	0.7
109.10134	0.6
111.08127	0.3
119.08578	1.1
129.07024	0.6
133.10118	0.9
135.11646	0.3
145.10139	0.4
147.11671	0.9
157.45747	0.2
161.13318	0.5
171.11714	0.6
175.14807	0.3
185.13339	0.3
189.12799	0.4
207.13814	1.0
241.19626	0.3
285.12503	0.3
377.17587	1.1
378.18924	0.4
379.19357	0.5
389.17825	0.4
390.18484	0.8
391.19141	2.4
392.20071	1.3
393.20853	1.2
403.19336	0.8
404.20139	0.5
405.16180	3.0
405.20956	2.0
406.17767	1.0
406.21832	0.8
407.22336	5.6
408.22888	0.9
417.16528	0.5
417.21313	0.6
418.17313	1.7
419.18033	4.9
420.18375	1.8
420.23547	0.9
421.19711	2.3
431.18524	0.5
432.19431	0.9
433.20132	9.5
434.20877	7.0
435.21725	6.9
436.22495	0.5
444.19647	0.6
445.20416	0.3
446.21033	1.1
447.22498	2.7
448.22699	1.5
461.19260	0.8
461.24136	0.7
462.20023	0.8
463.21548	0.4
465.23325	0.4
475.21121	1.8
476.22021	0.8
476.57645	0.3
477.22601	0.4
479.24719	0.5
492.21667	0.4
493.21695	0.5
493.26740	0.4
507.23727	0.5
515.24591	1.1
517.29639	1.2
519.40393	10.1
520.40692	0.6
521.25427	15.8
522.25781	1.3
529.26886	0.5
530.26874	0.3
531.27539	1.9
533.22223	0.3
534.26160	0.8
535.26416	0.4
543.27716	0.9
544.28235	3.9
545.28943	4.4
546.29688	0.4
549.25067	1.1
557.29120	1.4
558.29663	0.4
563.26605	1.0
571.30658	1.0
580.26874	0.5
581.27466	4.3
589.28845	0.9
593.45575	0.8
594.27966	0.6
603.33252	1.4
631.32672	19.9
632.33142	1.4
659.32086	0.5
663.34320	0.4
691.34747	100.0
692.35071	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	692.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.7
55.05263	1.1
55.05503	11.8
57.03431	11.0
58.06572	1.0
59.07350	0.6
60.08154	4.3
61.02898	2.5
65.03917	1.2
67.05494	18.6
69.03414	4.7
69.06714	0.6
69.07057	6.7
70.66187	0.5
70.88976	1.9
71.01328	0.5
71.04974	5.3
71.07336	1.7
73.02910	1.1
79.05479	16.8
81.03405	67.3
81.06580	1.1
81.07041	22.5
82.07359	0.5
82.36268	0.5
83.04972	13.2
83.08607	23.4
85.02889	25.5
85.06493	1.5
85.14917	0.5
86.09693	19.4
87.04419	0.6
91.03915	1.0
91.05465	26.8
93.07027	14.9
95.04953	25.9
95.08596	7.7
97.02868	4.6
97.06500	3.9
97.10144	4.1
98.98450	1.3
99.04417	1.4
99.08056	1.3
104.10687	1.8
105.07010	20.7
107.04943	6.2
107.08573	8.1
109.06477	4.3
109.10142	2.9
111.04445	3.3
111.08060	11.4
113.05981	2.5
115.05397	1.4
117.06960	1.5
119.08557	19.2
121.06481	1.6
121.10126	8.6
123.04360	0.7
123.08045	2.7
123.11639	1.7
124.99987	13.9
125.09621	2.7
129.06982	11.1
131.08548	11.1
133.06450	2.4
133.10115	11.7
134.26013	0.5
135.08049	1.3
135.11655	0.8
137.09572	2.0
142.07751	2.4
142.87506	0.5
143.08545	0.6
145.06483	0.7
145.10089	1.8
147.04335	0.6
147.08060	3.9
147.11668	15.6
149.09608	7.2
151.11264	0.6
153.09038	0.6
157.10104	15.5
163.11133	0.8
165.12711	3.8
175.09993	0.5
175.11153	18.7
184.07312	75.6
185.07684	0.8
193.12212	51.3
194.12509	1.4
201.82516	0.6
211.13254	62.2
212.13614	0.7
218.96660	0.6
227.12775	1.1
233.15112	0.6
267.15872	33.0
268.16125	0.8
285.16919	63.5
286.17224	1.6
367.22629	1.5
385.23904	3.4
403.24655	1.0
433.25595	1.2
441.26584	1.3
459.27338	30.2
460.28061	1.1
477.28400	38.6
478.28070	0.9
495.29459	100.0
496.29669	3.9
639.33337	1.7
656.35468	1.0
692.33545	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	691.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01627	0.1
55.05499	0.1
67.05495	0.4
69.03419	5.2
69.07054	0.2
69.51001	0.6
69.51427	0.2
74.38967	0.1
79.05480	0.2
80.02583	0.1
81.03394	0.3
81.07037	0.5
83.04979	0.2
85.02879	0.5
85.06512	0.1
91.05470	0.3
93.07037	0.4
95.04977	0.1
95.08628	0.2
97.02876	100.0
97.10149	0.1
98.03220	0.7
105.07028	0.3
107.08543	0.2
109.02821	0.1
109.10117	0.3
111.04391	0.1
115.03951	0.2
117.06996	0.1
119.08547	0.2
121.10125	0.1
123.04459	0.2
127.03902	0.2
129.07030	0.1
131.08481	0.1
133.10155	0.1
135.11697	0.1
137.13248	0.1
139.03879	47.0
140.04253	0.4
147.04364	0.2
147.11662	0.1
151.03882	0.4
153.05466	0.3
157.04942	4.6
157.10150	0.1
163.11209	0.1
165.09151	0.1
177.05345	0.1
184.07288	0.5
193.12299	0.1
199.05971	1.4
211.13278	0.2
223.75674	0.1
259.08099	6.7
283.15289	0.2
285.16953	0.2
287.05396	0.3
299.05255	0.1
300.13846	0.1
303.08545	0.2
399.07718	0.1
475.27014	0.1
493.27789	0.3
494.28387	0.2
530.24158	0.1
545.13055	0.1
691.34680	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	691.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01866	2.3
55.05490	1.5
57.03421	0.4
57.07077	0.5
59.77461	0.3
65.03922	1.2
67.05496	3.2
68.99771	0.7
69.03413	1.6
69.07046	1.5
70.06573	0.9
71.04972	0.6
71.32619	0.9
72.08146	0.9
79.01840	0.5
79.05487	3.9
81.03412	2.2
81.07043	4.6
83.04962	1.1
83.08601	0.5
84.08130	0.7
85.02897	2.0
85.06517	1.0
86.09698	0.5
91.05459	3.3
93.03387	0.8
93.07039	2.5
95.04964	5.1
95.08597	2.7
96.08126	0.4
97.02882	1.4
97.06521	1.2
97.10148	1.0
99.04441	0.6
100.11262	0.7
103.05435	0.8
105.03392	2.0
105.04491	0.5
105.07013	5.4
107.04937	6.5
107.08585	2.1
109.02845	1.9
109.06465	0.7
109.10155	1.7
110.09700	0.4
111.04435	2.3
114.01540	0.4
115.05433	3.7
117.06985	0.9
119.04916	4.9
119.08572	2.4
121.02852	1.6
121.10119	1.7
123.04412	38.1
123.08044	0.7
123.11662	0.9
124.05267	0.6
125.02405	0.5
125.05972	0.7
125.09620	1.2
127.03879	1.9
129.05394	0.4
129.06958	0.9
131.04895	0.8
131.08557	0.5
133.06459	6.2
133.10127	1.0
135.04404	3.5
135.08078	0.6
135.11652	1.2
136.07535	0.6
137.02303	1.0
137.05969	1.4
137.09529	0.6
139.03883	16.7
139.11165	0.5
140.04669	1.0
141.06969	0.4
143.04880	1.5
143.10657	0.4
145.06464	1.2
145.10135	0.7
147.04390	19.1
147.08040	3.0
147.11667	1.4
149.05957	0.8
149.09575	0.6
149.13286	0.4
151.03883	100.0
152.04225	2.2
152.07048	0.9
153.01831	0.5
153.05461	4.1
155.07013	1.7
157.10103	0.6
159.11804	0.5
161.05966	12.0
161.13254	0.4
163.03889	5.7
163.11128	0.5
165.01811	4.8
165.05470	9.4
165.09111	0.5
166.08656	0.8
167.07022	25.8
169.06401	0.6
171.02979	0.4
172.03920	1.5
173.05975	4.7
173.13133	0.4
175.03888	0.8
175.07516	5.1
175.11234	0.4
177.05429	1.7
179.03387	1.2
179.07024	1.6
181.04933	12.5
182.05264	0.6
182.15305	0.8
183.02896	4.7
183.06514	3.0
184.07303	0.5
187.03844	0.4
187.07520	1.3
189.05434	1.4
191.07002	1.2
193.04932	4.8
193.06569	0.7
193.08562	3.2
193.12199	0.5
194.08118	1.4
197.06033	0.7
201.05467	0.6
203.06992	1.7
204.06526	3.4
205.08569	0.5
207.06514	3.5
207.10147	4.2
210.14897	0.9
211.07471	0.9
212.09151	0.8
215.06993	1.2
215.10411	0.4
217.08589	3.9
218.07158	0.4
219.07996	1.2
221.08098	0.9
225.05400	0.5
235.09613	18.3
239.07014	1.1
243.06522	1.4
247.07565	1.3
257.07968	0.4
264.07758	0.7
265.09152	0.4
267.06506	0.5
273.07584	0.4
279.10132	1.5
283.13641	0.4
285.07568	7.3
287.05432	1.0
293.07962	0.5
301.07022	3.3
303.08591	74.9
304.08893	1.3
307.09653	1.4
308.10373	0.4
309.24014	0.4
325.11130	0.9
339.12228	1.7
340.12949	0.4
357.14355	0.8
359.22147	0.7
371.14890	4.6
389.15903	85.2
390.16168	2.4
409.19949	0.6
467.29916	0.4
475.34335	0.5
493.35135	0.5
539.19067	1.5
648.46710	1.1
691.23932	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.2
55.05293	0.1
55.05506	1.1
56.05019	0.5
57.03421	0.3
57.07058	0.6
58.06604	0.3
59.07391	0.2
60.08154	6.0
67.05488	1.1
68.77879	0.1
69.03380	0.1
69.07060	1.3
69.91421	0.7
71.07364	3.2
71.08617	0.3
79.05468	0.9
81.03407	0.4
81.07047	1.2
83.04978	0.2
83.08602	1.2
85.10158	0.2
86.09691	31.8
87.10043	0.3
91.05478	0.5
93.07023	1.4
95.04980	0.3
95.08598	1.7
97.02914	0.1
97.06530	0.2
97.10176	0.6
98.20778	0.1
98.98447	2.8
99.04440	0.2
104.10723	2.5
105.07001	0.5
107.04942	0.4
107.08591	1.1
109.06452	0.2
109.10149	0.3
111.11716	0.2
115.05470	0.1
117.07007	0.4
119.08566	0.5
121.06480	0.2
121.10111	0.7
123.11625	0.1
124.99984	20.0
130.89038	0.1
133.10129	0.3
135.08035	0.2
135.11671	1.6
143.01048	0.5
145.10100	0.9
163.11156	1.5
166.02676	0.2
169.09952	0.1
176.94283	0.1
181.12292	0.1
184.07310	100.0
185.07608	0.6
209.11690	0.1
227.12759	1.7
237.22038	0.2
277.04611	0.1
311.25967	0.2
313.27295	0.1
370.02789	0.1
496.33777	0.2
519.36731	6.8
568.18762	0.1
690.46979	9.8
691.47473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01665	0.4
55.01868	5.2
55.05503	12.1
57.03429	9.9
57.07063	0.8
59.04989	2.1
61.02916	3.4
65.03918	1.3
67.05496	14.8
69.03416	3.6
69.07052	3.9
69.79885	1.0
69.80293	2.1
71.01348	0.6
71.04978	3.2
73.02939	1.0
79.05002	0.5
79.05480	18.0
81.03406	35.2
81.07046	19.0
83.01331	4.4
83.04967	13.2
83.08128	0.9
83.08608	16.3
83.09103	0.8
85.02891	15.5
85.06518	1.2
86.09705	0.6
87.04443	0.6
91.03928	1.1
91.05470	19.0
92.05782	0.6
93.07030	18.8
95.04955	15.5
95.08591	7.3
97.02869	5.3
97.06503	3.5
97.10166	2.8
99.04449	1.8
105.07018	11.7
107.04945	5.9
107.08577	10.0
109.02852	0.4
109.06502	5.0
109.10137	2.6
111.04436	2.6
111.08072	7.1
113.05975	0.8
115.05410	0.6
117.07001	4.7
119.04911	0.5
119.08561	10.9
121.06475	2.5
121.10135	6.2
123.04430	0.6
123.08057	4.9
123.11684	1.0
124.99993	0.6
125.05992	1.6
125.09596	1.3
127.03908	0.8
128.06151	0.5
129.06987	5.7
130.07802	0.7
131.08548	7.4
133.06483	1.2
133.10109	5.5
135.08037	1.0
135.11676	5.8
137.09566	2.1
142.07809	1.0
142.25160	0.4
145.10098	8.5
147.08041	2.9
147.11668	8.3
149.09618	3.5
153.12727	1.6
155.08472	0.9
157.10107	7.5
163.11153	12.1
165.12755	1.6
173.09572	2.1
175.11171	7.4
181.12236	1.9
184.07343	1.5
191.10663	1.9
193.12215	23.7
194.12558	0.5
209.11696	3.7
211.13263	40.2
212.13638	0.7
227.12714	3.2
249.14838	0.7
265.14319	0.6
267.15887	8.2
267.18582	0.7
283.15359	46.5
284.15866	1.2
285.16913	32.8
286.17236	0.6
319.27438	0.4
362.24649	0.4
383.22321	2.3
401.22995	0.9
457.25851	3.4
475.20035	0.7
475.26852	15.2
476.27228	0.9
491.75174	0.5
493.27899	100.0
494.28232	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	690.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72371	0.1
51.93289	0.1
53.03936	0.1
55.01854	0.5
55.05495	1.0
55.27428	0.1
56.05020	0.5
57.03432	0.6
58.06567	0.9
59.05027	0.1
59.07366	0.4
60.08154	5.4
61.02908	0.2
67.05492	1.7
69.03413	0.4
69.07053	0.7
69.66310	0.6
69.66721	0.3
71.04971	0.4
71.07363	2.4
72.72044	0.1
78.64863	0.1
79.03717	0.1
79.05479	1.7
81.03412	1.7
81.07043	2.7
83.01353	0.1
83.04978	0.7
83.08594	0.8
84.08168	0.1
85.02892	0.4
85.06525	0.3
86.09690	27.9
87.09985	0.2
91.03935	0.1
91.05471	1.4
93.07024	1.9
95.04953	1.0
95.08589	1.7
97.02873	0.4
97.06514	0.6
97.10158	0.2
98.21511	0.1
98.98445	1.9
99.04463	0.2
99.08080	0.2
104.10731	2.6
105.07007	1.4
107.04917	0.6
107.08574	1.3
109.06496	0.4
109.10146	0.4
111.04420	0.3
111.08087	0.2
117.07001	0.5
118.21798	0.1
119.08569	1.3
121.06465	0.3
121.10118	1.4
123.04372	0.3
123.08045	0.4
123.11694	0.5
124.99982	18.0
125.05933	0.3
125.09616	0.3
127.03881	0.1
127.07517	0.1
129.05397	0.1
129.07010	0.3
131.08487	0.3
133.06445	0.2
133.10088	0.7
135.08011	0.2
135.11681	1.3
137.09543	0.1
143.01057	0.4
143.08543	0.2
145.10109	0.9
147.04369	0.2
147.11671	1.6
149.09605	0.3
149.13235	0.3
155.80132	0.1
157.10121	0.4
159.11763	0.1
161.09612	0.2
163.01556	0.2
163.11157	2.2
164.11472	0.2
165.09160	0.1
165.12717	0.7
171.11617	0.2
173.09619	0.2
175.11197	0.3
181.12257	0.3
184.07307	100.0
185.07671	1.0
187.14838	0.1
191.10735	0.1
193.12193	0.6
199.64438	0.1
209.11746	0.2
211.13194	0.6
219.08015	0.1
222.08978	0.5
224.10483	0.3
227.12752	2.5
240.09880	0.2
267.15878	2.4
267.18527	0.2
269.17477	0.7
282.11176	0.1
283.15384	2.9
284.15765	0.2
285.16956	2.4
301.16571	0.2
396.58099	0.1
438.93835	0.1
446.22980	0.2
457.25623	0.1
461.29150	0.7
464.24286	0.1
475.26349	0.7
476.23944	0.2
479.29706	0.7
484.13510	0.2
493.27844	6.1
494.28262	0.3
505.24393	0.3
512.17267	0.2
513.17578	0.6
514.18317	0.2
518.24878	0.3
523.15881	0.2
527.19226	0.2
555.19073	0.1
560.33252	0.2
589.32758	0.3
601.22919	0.2
660.23138	0.2
690.35956	10.1
691.26031	3.5
691.36517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.4
53.03906	1.3
55.01862	2.8
55.05502	10.0
57.03430	8.4
57.07034	0.8
59.04959	0.6
61.02881	1.5
65.03921	0.9
67.05491	15.0
69.03429	2.3
69.07055	6.7
69.50692	1.7
69.51122	2.1
71.04978	3.2
73.02877	1.3
77.03877	0.4
79.05479	21.5
81.03403	28.9
81.07041	21.7
83.01314	0.7
83.04967	8.7
83.08604	16.2
85.02893	13.3
85.06506	1.1
86.09665	1.0
91.03927	0.6
91.04897	0.6
91.05461	17.2
93.07025	27.8
94.07333	0.6
95.04957	15.8
95.08586	26.4
97.02360	0.5
97.02867	5.4
97.06503	4.3
97.10154	2.2
99.04419	3.2
99.08055	0.8
103.05439	0.7
105.07009	15.1
107.04264	0.7
107.04932	8.0
107.08574	18.1
109.02846	0.4
109.06482	4.0
109.10130	2.1
111.03711	0.5
111.04421	2.9
111.07369	0.5
111.08065	6.6
113.05978	2.1
113.09589	0.5
115.05449	1.0
117.07001	6.4
119.08557	15.9
121.06477	5.0
121.10120	11.7
123.08024	2.0
123.11704	0.9
125.05991	2.2
125.09554	1.1
127.07501	0.7
129.05515	0.6
129.06969	4.7
130.07733	1.0
131.08537	6.1
133.06448	1.5
133.10106	7.5
135.07994	1.9
135.11664	32.7
136.11984	0.7
137.09531	1.3
137.39117	0.4
139.03882	0.5
139.07495	1.9
142.07726	1.1
143.08508	0.7
145.10091	20.1
147.04274	0.7
147.08003	2.3
147.10619	0.7
147.11658	7.7
149.09624	3.3
151.03856	0.5
151.11168	0.5
153.12701	1.3
157.10106	7.6
163.11153	43.9
164.11513	1.1
165.12692	1.7
175.09724	0.7
175.11160	8.7
176.11490	0.5
181.12180	8.2
184.07339	2.7
185.96902	0.4
193.12209	21.9
200.51236	0.5
209.11644	1.5
211.13252	27.9
212.13628	0.7
227.12741	47.3
228.13138	1.5
240.51439	0.4
249.14809	0.6
267.15872	27.1
268.16251	0.8
273.07590	0.7
283.15344	57.6
284.15707	2.5
285.16907	45.7
286.17151	1.5
301.16531	0.9
475.26877	30.8
476.27145	1.9
493.27881	100.0
494.28214	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	689.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.2
53.03930	10.4
55.01862	7.5
55.05503	29.7
57.03431	11.4
57.07058	2.7
59.04999	1.4
61.02922	1.2
65.03934	4.2
67.05495	72.2
69.03418	35.3
69.07056	20.5
71.01347	2.3
71.04985	10.3
73.02914	1.3
73.77499	1.0
77.03939	1.9
78.73222	1.1
79.05481	69.6
80.05824	1.1
81.03407	100.0
81.07044	79.5
83.04974	21.3
83.08604	23.1
85.02889	18.1
85.06539	4.1
87.04466	2.1
90.76198	1.2
91.04880	2.3
91.05467	58.7
93.07028	63.6
94.07362	1.4
95.04954	27.8
95.08595	47.2
97.02881	20.0
97.06524	8.4
97.10150	6.4
99.04435	7.5
103.03990	1.5
103.05462	1.7
105.04530	2.7
105.07016	50.6
107.04935	10.1
107.08579	34.0
107.76383	1.2
109.02863	17.8
109.06506	7.8
109.10142	18.6
111.04435	11.0
111.08067	10.7
113.05980	3.3
115.05445	3.0
117.07007	18.9
119.04910	2.4
119.08567	37.2
121.06513	3.6
121.10121	28.2
123.04403	3.5
123.08024	5.9
123.11644	6.0
125.06028	1.3
125.09628	4.4
127.03902	10.7
127.07554	1.3
128.06227	2.3
129.05481	4.0
129.06992	16.8
131.08549	28.9
133.06487	3.6
133.10101	22.0
135.08072	3.3
135.11685	14.3
137.09608	3.8
141.06984	2.7
142.07764	3.7
143.08537	9.2
145.06448	2.1
145.10092	16.8
147.08052	4.7
147.11667	23.8
149.05939	1.6
149.09586	6.6
149.13210	6.2
151.11095	1.2
153.12779	2.8
155.08528	6.0
157.06415	2.4
157.10097	17.8
157.11292	1.6
159.08098	3.8
159.11688	12.0
161.09665	2.7
161.13257	4.2
161.58154	1.1
163.11180	6.0
163.14809	3.3
165.12814	5.0
167.08575	2.7
169.08755	1.2
169.10052	5.7
171.08133	1.9
171.11629	6.5
173.04478	6.0
173.09619	2.6
173.13254	6.2
175.11182	11.9
175.14760	2.2
177.12686	1.8
181.10150	2.9
181.12259	2.9
183.11664	5.3
184.07372	3.9
184.99644	1.2
185.09637	1.2
185.13248	4.4
187.11180	3.0
187.14836	3.4
189.11046	1.1
189.12737	2.3
191.10703	3.1
193.10339	1.8
193.12215	36.3
195.11778	1.8
195.13826	2.1
197.13345	3.2
199.11209	2.7
199.14842	2.0
201.12862	1.2
203.14330	1.3
207.13937	1.6
209.13336	2.0
211.11340	1.9
211.13240	50.8
213.12860	1.5
213.16396	1.5
215.14302	1.2
221.13348	1.6
227.12811	4.8
229.14233	1.4
231.17642	1.2
241.19600	1.4
243.21184	1.6
249.14960	2.2
257.15393	1.2
259.20703	2.9
261.14816	1.2
261.22174	5.9
265.14542	1.5
267.15881	9.2
273.14896	1.3
273.22241	1.2
283.15543	1.8
283.20520	1.3
285.16861	8.0
289.21802	1.5
298.23013	1.2
301.21494	2.6
306.27750	1.6
307.28162	1.5
315.23227	2.3
317.24838	1.5
319.22559	2.0
323.23572	1.7
333.24283	2.0
335.25739	14.2
337.16287	1.7
339.23187	1.3
341.24863	1.9
351.23019	5.6
353.25128	1.5
355.17380	6.4
369.24261	8.7
387.25296	4.2
405.26044	1.9
411.20032	6.1
435.32666	1.9
443.27969	3.5
453.33606	2.0
461.29123	4.6
527.37274	19.4
545.38385	10.3
548.39990	1.5
615.38879	1.5
635.38898	1.5
653.39978	5.6
671.41632	11.1
689.42474	82.4
690.42596	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	689.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.7
53.03945	7.9
55.01868	7.9
55.05504	30.0
57.03426	12.3
57.07056	2.4
59.04989	1.0
61.02905	1.3
61.39088	0.9
65.03933	5.2
67.05494	80.3
68.05823	1.3
69.03419	32.8
69.07058	23.6
70.03751	0.8
70.21687	1.4
70.22055	3.0
71.01340	1.8
71.04982	12.4
73.02900	2.9
77.03904	1.8
79.05479	67.0
80.05811	1.3
81.03407	100.0
81.07043	82.3
82.07381	1.4
83.04967	23.8
83.05446	1.5
83.08606	25.0
85.02408	1.6
85.02891	20.8
85.06526	3.7
86.09696	1.5
87.04450	0.8
91.05464	62.5
92.05802	1.6
93.07030	71.1
94.07370	1.2
95.04349	1.7
95.04957	32.3
95.08593	47.8
97.02878	27.8
97.06521	8.3
97.10149	7.8
99.04431	7.8
99.08098	2.5
101.02393	1.4
103.03934	1.2
103.05462	2.4
105.04530	1.9
105.07015	48.9
106.07313	1.0
107.04948	8.6
107.08582	36.6
108.08923	1.7
109.02863	17.7
109.06500	8.7
109.10142	19.0
111.04425	11.5
111.08061	11.3
113.02340	0.7
113.06001	2.5
113.09613	0.9
115.05431	3.6
116.06219	1.4
116.51505	0.8
117.07002	18.5
119.04906	1.5
119.08562	38.4
120.08883	0.9
121.06488	6.5
121.10125	30.5
123.04417	2.9
123.08040	5.6
123.11681	6.5
125.00024	0.8
125.05968	1.3
125.09642	4.3
127.03902	14.6
127.07539	1.3
128.06227	2.7
129.05510	4.5
129.06981	17.9
129.07907	1.5
130.07834	1.4
131.04883	1.0
131.08551	32.1
133.06490	5.2
133.10104	23.9
135.04402	0.9
135.08006	4.2
135.11671	15.4
137.05975	1.5
137.09598	4.1
137.13223	1.4
139.11229	1.0
141.06981	3.8
142.07741	2.7
143.08553	12.5
143.77296	0.7
144.09129	0.7
145.04965	1.2
145.06497	3.7
145.10101	22.7
147.08018	4.7
147.11661	30.4
148.12129	0.7
149.05930	1.1
149.09607	8.4
149.13234	6.5
151.07564	1.1
151.11189	2.0
153.07019	1.2
153.12735	3.0
154.07748	0.9
155.08557	5.6
156.09315	1.0
157.06471	1.9
157.10110	21.2
159.08080	3.3
159.11661	13.0
161.06000	1.7
161.09605	2.5
161.13240	5.8
163.11206	5.7
163.14824	1.7
165.12717	6.7
167.08574	2.5
167.14388	0.8
168.09270	0.8
169.06642	0.9
169.10101	7.1
171.08052	1.9
171.11638	9.2
173.04410	10.1
173.05798	0.9
173.09631	2.9
173.11868	1.4
173.13229	9.0
175.11163	12.6
175.14798	2.6
177.12799	3.3
179.08571	0.9
179.10709	0.9
181.10077	4.2
181.12225	3.1
182.10887	0.9
183.06598	0.9
183.08145	1.1
183.11665	6.2
183.13106	0.8
184.07312	5.6
185.09619	1.7
185.13232	5.7
187.11227	2.3
187.13322	1.0
187.14677	3.9
189.11188	1.2
189.12732	1.3
189.16460	0.8
191.08969	0.8
191.10612	3.8
191.14369	0.9
193.10391	1.3
193.12210	32.9
195.11697	3.1
195.13789	1.4
197.09685	1.4
197.13203	4.1
199.06148	0.9
199.11174	1.5
199.14732	4.4
201.12767	1.7
201.16428	1.3
203.14343	1.3
207.11835	1.6
207.13770	1.7
208.12613	0.9
209.09879	1.0
209.13313	2.6
211.13235	52.5
212.13712	1.8
213.12819	1.9
213.16487	1.3
215.14305	0.9
219.13870	1.3
221.13307	0.8
223.11266	1.0
223.14853	2.7
225.12730	0.9
225.16533	1.0
227.10847	1.0
227.12569	4.7
229.12358	0.8
229.14374	3.2
231.13873	1.3
235.13177	1.4
235.17088	0.9
239.14322	1.3
241.19514	2.8
243.21098	2.4
245.15413	1.3
249.14751	1.8
257.19098	1.4
259.13058	0.9
259.20541	4.7
261.22119	6.1
267.15805	9.9
269.17490	1.8
271.20807	1.2
273.14832	1.5
273.22266	1.0
275.20129	1.2
277.21664	1.5
283.15506	1.5
285.16946	8.8
289.21625	1.4
291.16080	1.3
291.19543	1.2
295.20374	1.0
301.14301	1.6
301.21640	3.0
309.22281	1.5
311.23499	1.0
313.16476	0.8
313.21527	1.1
317.24863	2.0
319.15494	1.1
319.22745	1.6
323.23724	1.5
327.23224	1.8
331.22714	0.8
333.24478	2.3
335.25748	17.8
337.16663	3.5
339.23334	1.3
341.24814	1.6
351.23111	4.7
355.17511	5.9
363.25540	1.0
369.24170	7.0
375.18149	1.2
387.25323	4.6
393.19260	1.4
405.26208	2.4
411.20102	7.0
413.21780	1.5
425.26938	1.3
435.32642	2.9
443.27710	3.9
453.33762	1.6
461.28900	3.7
479.29544	1.2
505.43362	1.0
509.05600	0.9
509.36111	1.9
517.38904	1.4
527.37292	27.8
528.37543	1.8
529.39130	1.2
543.36035	1.4
545.38275	9.4
557.37915	0.8
561.37177	0.9
569.38293	2.0
611.39795	1.0
615.38770	1.4
617.38232	1.0
630.22986	0.9
635.39490	4.0
641.39893	1.1
653.40558	6.8
671.41394	13.5
689.42474	98.7
690.42737	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	689.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01859	3.4
55.05501	15.8
57.03415	1.3
57.07064	5.0
65.03922	0.8
67.05491	14.2
69.07057	16.0
69.41846	0.9
69.42259	2.7
71.04978	0.4
71.08624	2.6
77.03878	0.5
78.24793	0.4
78.64095	0.3
79.05477	15.6
81.03398	2.4
81.07043	13.6
83.04967	3.1
83.08602	13.2
83.09105	0.5
83.46499	0.4
85.06527	0.7
85.10168	1.8
86.09683	1.2
91.05467	13.1
93.07026	13.2
95.04951	5.6
95.08587	8.7
95.09158	0.6
97.02861	0.4
97.06521	1.6
97.10157	8.3
97.99113	0.3
98.98433	1.4
105.04517	0.5
105.07013	7.4
107.04928	1.1
107.08567	3.9
109.06512	1.2
109.10122	2.5
111.08075	1.1
111.11687	2.4
117.07003	1.6
119.08554	5.9
121.06505	0.5
121.10118	2.9
123.08038	1.0
123.11723	0.5
125.00019	1.1
128.06201	0.5
129.06975	3.9
131.08568	1.0
133.06471	0.5
133.10101	2.3
135.11655	1.7
143.08516	1.7
145.10089	2.3
147.08064	0.6
147.11652	5.4
149.13240	0.6
155.01004	0.7
159.11598	0.4
161.09633	0.7
161.13257	1.8
168.21832	0.3
171.11652	4.5
184.07300	4.6
185.07617	0.8
189.12717	1.4
207.13750	4.1
225.14871	0.5
237.22086	4.6
263.16391	0.4
281.17484	0.7
311.25757	2.6
312.25757	0.4
417.16443	0.4
489.38971	0.5
499.38013	0.9
517.38806	100.0
518.39124	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	689.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01862	3.1
55.05502	13.6
57.03422	1.0
57.07069	4.3
65.03922	0.7
67.05491	13.1
69.03419	0.3
69.07056	15.0
71.04982	0.6
71.08614	3.2
73.06543	0.6
77.03916	0.3
79.05479	14.2
80.05802	0.4
81.03401	1.9
81.07042	12.7
83.04974	2.5
83.08604	12.0
85.06512	0.6
85.10172	1.6
86.09672	0.5
89.28851	0.3
91.05461	12.0
93.07025	11.8
95.04951	4.2
95.08587	7.1
97.06523	1.5
97.10149	7.3
98.98447	1.2
99.08049	0.3
105.07012	8.1
106.07284	0.3
107.04953	1.6
107.08566	3.9
109.06493	1.1
109.10130	2.0
111.08057	0.9
111.11050	0.3
111.11692	1.9
115.05445	0.3
117.06984	1.8
119.08564	5.0
121.06467	0.5
121.10124	2.9
123.08028	0.9
123.11689	0.6
124.99935	0.4
125.09605	0.3
128.06209	0.3
129.06978	3.7
131.08571	0.6
133.10104	2.4
135.11649	1.7
137.13203	0.4
143.08522	1.9
145.10098	2.2
147.08014	0.8
147.11662	5.4
149.13306	0.4
155.01022	0.6
156.09319	0.4
159.11717	0.3
160.98499	0.2
161.09669	0.5
161.13211	2.1
163.14867	0.3
171.11664	3.5
172.12007	0.3
184.07288	2.3
185.07654	0.5
189.12756	1.8
204.48901	0.3
207.13759	4.0
225.14816	0.6
237.22084	4.1
263.16559	0.4
276.64465	0.3
281.17459	1.1
311.25769	2.5
313.27185	0.4
319.68390	0.3
417.16623	0.4
489.39343	0.5
499.37631	0.7
517.38794	100.0
518.39111	6.3
548.43842	0.7
594.68915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01859	0.7
55.05500	2.8
56.05018	0.4
56.63764	0.2
57.03429	1.5
57.07060	0.7
58.06594	0.4
60.08151	6.8
61.02910	1.0
61.08481	0.5
65.03926	0.4
67.05492	8.0
68.05817	0.8
69.03415	2.2
69.07055	2.8
71.04986	1.0
71.07363	2.7
71.08626	0.3
71.62383	0.2
71.62783	0.2
72.07716	0.3
73.02900	0.8
79.05476	3.8
79.16328	0.2
80.05813	0.3
81.03402	5.6
81.07040	5.9
82.07367	0.4
83.04962	1.6
83.08604	1.8
85.02896	1.8
85.06522	0.3
86.09689	30.7
87.04479	0.3
87.09476	0.4
87.10010	4.4
89.84635	0.2
91.03930	0.5
91.05465	4.4
93.07032	5.3
94.07327	0.3
95.04943	1.3
95.08588	4.6
96.08911	0.4
97.02872	2.1
97.06513	0.6
97.10158	0.7
98.98448	3.6
99.04440	0.7
104.10728	2.7
105.07009	4.0
105.11037	0.2
106.07330	0.3
107.04913	0.5
107.08569	3.2
109.02850	0.7
109.06500	0.7
109.10136	3.3
110.10472	0.8
111.08078	0.5
111.11797	0.2
115.05406	0.4
117.06996	2.1
119.08552	3.2
121.06451	0.3
121.10110	2.2
123.11683	0.8
124.99981	20.1
126.00322	1.2
127.03860	0.7
128.06219	0.3
129.05455	0.7
129.06981	1.7
130.07672	0.2
131.08551	3.6
133.06453	0.3
133.10106	2.6
135.08023	0.3
135.11688	1.4
137.09543	0.3
141.06969	0.8
142.07802	0.5
143.01015	0.4
143.08534	2.5
145.10074	2.9
147.08018	0.3
147.11647	2.1
149.09531	0.4
149.13220	0.8
153.06940	0.3
155.08531	1.3
157.10066	2.3
157.84372	0.2
159.11658	2.4
161.09613	0.4
161.13228	0.9
163.11136	0.4
163.14772	0.4
165.12717	0.4
167.08524	0.8
169.10088	1.7
171.11679	1.8
173.04465	1.6
173.11798	0.3
173.13231	1.6
175.11147	0.3
175.14792	0.3
179.08527	0.3
181.10063	1.0
183.11703	1.5
184.07306	100.0
185.07668	17.0
185.13165	1.6
186.07793	0.3
187.14839	0.7
193.10106	0.4
193.12102	0.2
195.11652	1.0
197.13286	1.5
199.14786	0.8
201.12744	0.4
201.16348	0.3
207.11694	0.3
209.13214	0.8
211.11235	0.2
211.14749	0.7
213.16328	0.4
221.13365	0.4
223.14807	0.5
225.16327	0.5
229.14368	1.3
230.14679	0.9
231.14793	0.7
235.14780	0.5
237.16331	0.4
241.19446	0.4
251.17975	0.3
259.20493	0.7
261.22107	0.5
262.22522	0.2
267.15823	0.3
269.17258	0.6
285.17258	0.2
299.19547	0.2
327.23080	0.4
333.24091	0.3
335.25674	0.6
336.26041	0.7
337.26169	0.9
338.26703	0.5
413.21487	0.4
435.32367	1.0
453.33316	0.7
473.34604	0.2
490.36047	0.5
491.36398	0.5
492.36502	1.1
509.35678	0.8
517.38727	0.4
525.34827	0.4
527.37244	10.9
528.37170	0.7
529.38617	0.6
530.38751	0.2
545.37781	0.9
569.38141	0.4
591.43652	0.8
635.38776	0.7
653.40015	0.9
671.40802	1.2
689.43982	7.4
690.43329	0.5
697.18628	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59300	0.7
53.03931	0.9
55.01876	4.3
55.05501	14.1
57.03422	1.1
57.07066	5.8
67.05494	12.3
68.06691	0.7
69.03416	0.9
69.07059	14.2
71.08636	3.4
75.84241	0.7
78.22325	0.7
79.05475	15.4
81.03390	2.4
81.07043	12.6
83.04959	3.7
83.08604	11.9
85.85265	0.8
86.09718	0.6
86.74006	0.7
91.05459	13.6
93.07024	12.8
95.04974	5.3
95.08593	9.1
97.06513	2.1
97.10153	7.5
98.20792	2.2
98.98448	1.0
105.07008	8.1
107.04916	1.6
107.08578	5.1
109.06499	1.2
109.10136	1.3
111.08038	1.0
111.11707	1.6
117.06990	2.2
119.08573	6.0
121.10119	3.0
123.08098	1.0
123.11700	0.8
125.13077	0.7
128.06230	1.2
128.87358	0.7
129.06992	3.2
131.08568	1.2
133.10127	2.5
133.81096	0.7
134.53384	1.0
135.11662	1.8
143.08527	1.7
145.10062	2.5
145.67456	0.8
147.11678	5.9
148.44473	0.7
155.00977	0.8
159.31166	0.7
161.13220	1.9
165.18404	0.7
168.32817	0.7
171.11676	4.8
184.07317	1.0
189.12724	1.7
207.13763	4.1
237.22079	4.8
281.17505	1.4
299.19891	0.7
311.25732	2.2
313.27222	0.8
459.69412	0.7
517.38800	100.0
518.39044	4.6
629.32178	0.7
689.32294	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37181	0.2
53.03932	0.8
55.01864	0.4
55.05505	1.6
57.03426	1.5
61.02629	0.4
61.02917	3.9
65.03928	0.3
67.05495	5.1
67.95889	0.2
69.03419	2.4
69.07055	0.9
69.35307	2.4
71.01339	0.3
71.04993	0.4
73.02911	2.3
75.89614	0.2
79.05483	6.4
81.03402	2.7
81.07046	4.4
82.07398	0.3
83.01348	0.2
83.04968	1.6
83.08616	0.9
85.02895	4.3
85.06519	0.3
86.09687	0.5
87.04459	0.3
91.03945	1.9
91.05466	5.7
93.07030	5.7
95.04958	2.3
95.05893	0.2
95.08592	3.0
97.02881	4.0
97.06521	0.4
97.10150	0.3
99.04462	0.5
101.02345	1.6
103.03932	0.3
105.04524	0.2
105.07024	4.3
107.04937	1.3
107.08596	2.1
109.02868	0.8
109.06511	0.5
109.10135	0.8
111.08067	0.2
114.60194	0.2
115.03983	0.3
116.10806	0.2
117.07010	0.9
117.25795	0.2
119.08569	2.5
121.06446	0.2
121.10162	1.0
123.08057	0.6
127.03909	1.0
128.06267	0.3
129.06987	2.1
131.08572	0.8
133.10101	1.4
134.34084	0.2
135.08063	0.3
135.11650	0.4
143.08531	1.3
145.10138	1.3
146.16357	0.2
147.08041	0.3
147.11679	3.0
159.11710	0.3
161.09605	0.6
161.13252	0.9
163.11221	0.3
169.10095	0.2
171.11664	2.5
172.12077	0.2
184.07390	0.6
185.04143	0.2
189.12750	0.8
203.05290	0.5
205.39919	0.2
207.13791	0.9
208.14175	0.2
240.44569	0.2
243.08366	2.7
247.13004	2.9
281.17545	0.7
303.15622	1.3
444.46750	0.2
465.20914	17.3
466.21176	1.0
494.43411	0.2
527.29602	0.5
527.37402	0.6
556.34406	0.2
689.34943	100.0
690.35278	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	689.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53936	0.6
55.05511	3.4
55.36584	0.7
57.03421	2.0
57.07064	0.8
60.08156	1.4
65.95822	0.6
67.05496	7.9
67.06483	0.7
67.87439	0.7
69.03408	1.7
69.07051	2.7
69.35623	2.8
69.36049	3.6
71.04985	1.4
71.08624	0.7
78.86771	0.7
79.05476	4.9
79.80735	0.6
81.03407	4.4
81.07048	8.3
81.19164	0.5
83.04961	1.9
83.08598	1.5
85.02903	0.9
86.09698	7.0
89.06021	2.5
90.52686	0.6
91.05482	5.1
93.07037	7.5
95.04961	1.8
95.08603	5.5
97.02865	1.9
97.06509	0.9
97.10168	0.9
98.98465	0.7
99.04453	0.8
101.78507	0.7
105.07006	5.0
107.04939	1.6
107.08580	3.0
109.02869	0.8
109.06484	1.3
109.10147	2.3
117.07025	2.1
119.08539	3.9
121.06495	0.9
121.10136	2.7
123.11695	1.1
124.99995	3.8
127.03938	0.8
129.06985	1.8
131.08513	3.0
133.08597	1.5
133.10123	2.7
135.08072	0.7
135.11684	1.8
143.08572	1.3
145.10086	1.4
147.11612	1.5
149.09636	1.8
155.08574	0.8
157.10110	1.7
158.30963	0.7
159.11685	1.7
161.13252	0.8
163.11249	0.9
169.10144	0.8
171.11731	1.1
173.04579	0.8
173.09677	0.6
173.13293	0.7
175.11101	0.8
183.11649	0.7
184.07321	22.7
185.07643	2.0
185.13231	0.7
193.12247	0.8
205.10463	0.7
306.27783	0.9
307.27917	0.6
309.45288	0.6
335.25757	1.5
384.12463	2.0
385.12988	4.9
386.13910	1.8
397.12994	0.9
398.13657	7.1
399.14456	12.4
400.15396	16.7
401.16357	2.1
410.14151	0.7
411.14743	1.4
412.15305	6.4
413.16104	15.3
414.16827	10.2
416.14813	1.9
418.17496	2.0
419.17993	0.9
423.14938	0.8
425.16275	0.8
426.17068	1.8
427.13232	2.5
427.18344	11.7
428.18454	16.9
429.19418	12.2
441.14877	5.3
442.16138	11.6
444.13556	1.0
445.19330	1.0
446.17599	0.9
447.16971	1.0
453.15564	0.8
455.17099	29.1
456.17651	17.0
457.18466	2.1
458.15775	3.8
459.16595	5.8
460.17081	2.5
469.14819	2.6
469.20013	1.1
470.19427	2.0
471.16464	2.0
472.17679	1.6
473.18155	1.4
481.15103	2.4
482.16309	0.9
483.16617	21.9
484.16547	10.4
486.18954	1.0
487.16129	3.0
487.20135	1.9
488.16406	2.3
495.16473	1.6
496.17484	1.2
499.16104	5.9
500.16626	1.3
501.17505	1.4
509.14304	1.1
511.20486	3.0
512.13409	0.9
515.19543	2.0
516.19757	1.4
523.16132	2.4
524.16632	1.1
527.15552	27.3
527.37152	3.8
528.15814	19.4
529.15234	1.4
537.17505	1.2
538.18463	1.5
539.19196	9.6
540.18994	0.9
541.20520	0.7
543.22363	13.7
544.22681	1.4
547.39819	2.5
548.40088	4.8
555.18341	1.2
569.19562	1.2
571.21820	100.0
572.22083	9.5
573.20605	0.8
574.24213	5.5
579.50366	0.8
586.20892	1.0
587.21240	2.4
601.23047	6.0
602.23633	24.8
603.24280	3.6
615.20813	3.8
617.25952	2.3
629.22339	26.1
630.22668	60.8
631.22455	6.5
633.25055	1.3
643.23657	1.4
657.21832	59.4
658.22168	5.7
661.24951	5.9
671.41473	1.0
689.24463	20.0
689.41888	4.9
690.24768	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03926	1.2
53.74781	0.4
55.01858	0.5
55.05500	11.7
57.03142	0.6
57.03423	11.9
57.03696	0.9
57.07058	1.7
59.04986	4.0
60.59984	0.4
61.02914	4.3
65.03934	2.5
67.05491	88.3
68.05458	0.4
68.05824	1.2
69.03419	1.9
69.07053	7.5
71.04977	2.9
71.06319	1.3
71.08592	0.5
73.02912	1.1
79.05479	15.7
81.03421	0.6
81.07041	34.5
82.07392	0.6
83.04987	0.9
83.08610	7.0
83.09086	0.6
85.02876	3.5
85.06533	2.4
91.03962	2.2
91.04951	0.8
91.05465	9.9
93.07025	21.3
95.04952	1.7
95.08586	22.3
97.02868	2.3
97.06520	1.4
97.10130	2.0
99.04427	0.6
99.08086	1.5
105.07013	5.6
107.08572	12.9
109.06505	1.0
109.10133	73.7
110.10481	1.7
111.08037	3.1
113.09665	0.5
117.06963	2.4
119.08554	10.8
121.10120	11.3
123.08116	0.6
123.11687	3.3
125.09603	1.6
127.11182	0.4
131.08545	4.7
133.10123	4.5
135.11659	6.0
137.09583	4.1
137.13225	1.2
145.05008	0.7
145.10085	3.4
147.11655	2.4
149.13242	4.4
155.10643	5.0
157.10175	0.5
159.11664	2.8
161.13239	2.9
163.14807	2.7
173.11731	20.7
173.13242	3.0
174.12018	0.6
175.14835	0.9
177.16373	0.6
179.14343	0.5
183.11630	0.5
187.14857	1.1
189.11237	1.0
209.15660	0.4
218.91737	0.4
219.17316	0.6
227.12698	5.4
229.14305	100.0
230.14670	4.0
243.21054	4.8
261.22089	15.5
262.22482	0.8
290.30777	0.4
299.23615	0.6
317.24857	2.1
335.25732	69.0
336.26096	4.5
346.91751	0.5
379.29880	1.3
397.30881	1.3
415.31839	1.4
433.33044	0.7
471.34399	1.7
489.35645	44.6
490.35895	4.3
507.36765	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	688.353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08035	0.2
53.03936	1.4
55.01866	4.7
55.05504	8.9
57.03428	7.3
57.07065	0.6
59.04996	2.0
59.07982	0.3
61.02921	2.8
62.85888	0.3
65.03925	0.4
67.05495	9.4
67.24975	0.3
69.03412	1.9
69.07056	2.8
70.77686	0.5
70.78043	1.0
71.01346	0.7
71.04985	2.3
73.02903	0.7
77.03874	0.3
79.05482	13.4
81.03407	8.5
81.07046	13.0
83.01324	5.9
83.01772	0.4
83.04969	8.0
83.08604	7.9
84.65160	0.3
85.02893	5.3
85.06543	1.1
86.09719	0.5
91.03942	0.9
91.05471	9.6
93.07033	16.8
94.07370	0.4
95.04961	5.6
95.08603	5.9
97.02877	3.4
97.06510	3.1
97.10155	1.4
99.04420	1.9
99.08118	0.4
103.05460	0.5
105.07016	8.0
107.04238	0.2
107.04935	6.1
107.08572	9.0
107.94644	0.3
109.02837	0.5
109.06507	5.2
109.10152	2.1
111.04431	1.7
111.08051	1.8
111.11658	0.3
115.05453	0.7
117.07001	5.9
119.04925	0.3
119.08561	8.0
121.06493	2.9
121.10131	7.1
123.04424	0.9
123.08051	6.9
123.11644	0.4
125.00033	0.5
125.05982	1.2
125.09619	1.3
127.03947	0.6
128.06209	0.4
129.06993	1.4
130.07780	0.8
131.04994	0.5
131.08553	3.2
133.10132	2.6
135.04407	0.4
135.08051	1.3
135.11674	8.3
137.05893	0.3
137.09650	1.5
139.07515	0.5
139.11137	0.3
143.08540	1.0
145.06493	0.8
145.10106	13.4
147.04416	0.6
147.08047	1.3
147.11659	1.6
149.09569	1.4
151.07542	0.4
151.11186	0.4
153.12723	2.0
155.08501	1.3
157.10152	0.6
163.11157	18.4
165.09151	0.5
165.12810	0.4
167.08405	0.3
171.11668	0.6
173.09610	2.4
175.38506	0.3
181.12189	2.2
184.07356	2.1
191.10674	2.5
193.12219	0.6
207.13667	0.5
209.11685	4.7
211.13182	0.3
227.12715	3.0
227.63356	0.3
267.15915	1.5
269.96979	0.3
273.07510	0.4
281.17426	1.5
283.15356	100.0
284.15701	1.2
285.17050	0.7
445.29214	0.3
473.29205	2.0
491.26190	47.2
492.26627	0.7
499.38669	0.3
657.34229	0.4
688.40753	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01855	0.9
55.05499	11.1
57.03424	12.6
57.07065	2.8
59.04987	3.3
61.02915	6.1
62.18313	0.7
65.03928	2.2
67.05491	100.0
67.80654	0.7
68.05811	1.3
69.03403	1.1
69.07050	10.1
71.04981	3.5
71.06351	1.1
71.92297	0.6
72.86468	0.6
73.02909	1.4
77.03870	0.8
79.05477	22.3
79.11802	0.7
81.03400	1.2
81.07040	39.5
83.04964	0.9
83.08604	9.4
85.02882	4.2
85.06531	3.8
91.03935	1.8
91.04892	1.0
91.05454	16.4
93.07024	26.8
93.07619	1.3
95.04941	2.7
95.08586	31.5
97.02872	2.4
97.06497	1.7
97.10146	1.6
99.08076	1.5
99.84803	0.7
103.03973	0.6
105.07016	7.5
107.08572	15.0
109.06524	0.8
109.10134	82.1
110.10460	1.1
111.08054	3.3
117.06997	3.6
119.08558	12.5
121.10114	14.4
123.08073	0.8
123.11690	3.4
125.09632	2.2
127.03878	0.7
131.08548	5.4
133.10095	6.2
135.11652	8.0
137.09576	3.6
137.13242	1.6
145.05045	0.7
145.10085	4.8
147.11699	3.5
149.13248	5.3
155.10608	5.6
159.11647	3.9
161.13217	2.6
163.14806	2.1
173.11743	22.3
173.13229	4.8
174.12137	0.6
175.14795	1.5
177.16342	0.9
187.14778	1.9
189.11177	0.8
201.16385	1.1
218.47284	0.7
227.12701	5.5
229.14307	96.6
230.14594	2.2
233.22559	0.7
243.21031	5.6
261.22079	21.4
299.23355	1.1
317.24655	3.7
335.25720	87.2
336.26041	4.2
397.30850	2.1
415.31982	1.3
471.34329	1.9
489.35663	75.2
490.35999	4.3
507.36829	6.1
540.94562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.8
53.03931	2.7
55.01852	2.1
55.05505	12.3
57.03427	9.0
61.02906	0.8
61.39116	0.7
62.13787	0.6
65.03917	2.3
67.05495	30.1
69.03408	2.5
69.07057	7.5
71.04987	3.6
73.06522	0.6
77.03925	0.9
79.05482	42.9
81.03407	39.1
81.07048	29.4
83.04970	13.5
83.08130	1.0
83.08608	15.7
85.02415	0.9
85.02892	11.9
85.06515	1.9
91.04882	1.1
91.05466	37.5
93.07028	38.4
95.04958	25.3
95.08593	14.1
97.02872	2.5
97.06499	3.8
97.10149	3.3
99.08051	0.8
105.04482	0.9
105.07014	27.2
107.04922	4.3
107.08581	10.4
109.06507	5.0
109.10142	2.7
111.04426	0.8
111.08072	6.3
113.05972	1.7
115.05423	1.4
117.06984	4.9
119.08569	20.3
120.24538	0.6
121.06492	2.2
121.10117	5.5
121.64343	0.7
123.08063	4.0
125.09577	1.0
127.07513	1.2
128.06221	1.9
129.06979	13.4
131.08559	6.3
133.06453	1.5
133.10114	12.6
135.08012	1.0
135.11647	1.4
142.07738	1.5
143.08540	5.6
145.10101	6.4
147.08006	3.0
147.11661	28.8
149.09579	2.9
157.10103	9.4
161.09618	2.2
161.13229	6.6
163.11122	0.8
165.12755	1.6
169.10159	1.0
171.11668	14.9
172.75633	0.7
173.41112	0.7
175.11140	8.9
185.33264	0.7
189.12723	4.5
193.10948	0.4
193.12206	21.3
207.13777	17.6
211.13261	28.7
225.14841	0.9
249.14911	1.0
263.16513	0.8
267.15881	30.7
268.16739	0.7
272.46912	0.6
281.17438	53.1
282.17947	1.4
285.16928	28.7
286.17340	0.9
423.88382	0.7
455.28348	0.9
473.28937	100.0
474.29297	3.3
491.29974	73.9
492.30444	2.8
515.42548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
51.24330	0.4
53.03934	2.3
55.01862	3.5
55.05501	9.5
57.03426	4.7
57.07044	0.6
59.04984	1.5
61.02908	1.4
65.03923	1.3
67.05492	23.3
69.03415	1.4
69.07057	6.7
69.36029	4.2
71.01344	0.7
71.04984	2.8
73.06551	1.1
79.05478	37.4
80.05819	0.6
81.02962	0.7
81.03407	8.7
81.07042	24.1
82.07364	0.7
83.00908	0.6
83.01327	3.5
83.04963	10.5
83.08600	7.9
84.08978	0.4
85.02887	2.8
85.06535	1.5
86.09689	0.4
87.04459	0.5
91.03939	0.9
91.05461	26.9
92.05825	0.6
92.32373	0.4
93.07026	37.0
94.07385	0.4
95.04951	13.0
95.08589	14.4
97.02873	1.8
97.06511	4.0
97.10151	2.5
99.04443	1.5
99.08089	0.5
103.05416	0.7
105.04472	0.7
105.07008	19.8
106.07333	0.5
107.04932	6.2
107.08571	12.0
109.02811	0.6
109.06501	5.6
109.10136	3.1
110.85357	0.4
111.04426	1.6
111.08070	1.6
113.06017	0.7
115.05433	0.9
117.06997	5.9
119.08559	13.4
120.08939	0.8
121.06490	3.1
121.10113	5.5
123.04387	0.7
123.08051	6.3
125.05985	0.8
125.09583	0.8
127.03870	0.5
127.07509	0.7
128.06236	1.0
129.06984	8.0
130.07802	0.5
131.08557	3.4
133.06450	0.5
133.10112	5.7
135.08051	1.2
135.11665	5.6
137.09633	0.8
139.07466	0.6
141.06950	0.6
143.08546	4.3
145.06419	0.8
145.10103	11.6
147.04408	0.8
147.08020	1.8
147.11658	17.9
149.09596	0.9
153.12746	1.5
155.08565	0.8
159.11717	0.7
161.09604	1.7
161.13240	4.4
163.11139	10.4
171.11662	13.0
172.12015	0.6
173.09592	1.5
181.12230	1.7
183.11633	0.4
184.07318	0.5
189.12691	3.1
191.10669	1.3
193.12288	0.5
207.13766	13.7
209.11641	2.2
225.14777	0.8
227.12750	1.5
247.16920	0.5
265.14374	2.3
270.90332	0.4
281.17426	40.3
282.17929	0.8
283.15344	30.9
284.15555	1.0
331.39880	0.4
471.27325	6.5
489.28378	100.0
490.28638	5.3
507.29312	0.6
633.32251	0.5
686.39246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02342	0.4
53.03917	1.4
55.01844	1.7
55.05502	7.3
57.03432	4.0
57.07035	0.4
61.02893	0.5
62.92524	0.4
65.03911	0.6
67.05493	17.9
68.05811	0.6
69.03419	1.8
69.07058	4.7
70.42513	0.3
71.04958	1.4
71.62663	0.4
73.02882	0.7
73.06538	0.4
77.03887	0.3
79.05480	26.3
81.03407	4.1
81.07045	18.6
83.04484	0.5
83.04964	6.1
83.08604	5.3
85.02887	0.9
85.06496	1.0
86.09662	0.6
91.05461	16.3
93.07029	31.7
94.07377	0.5
95.04954	10.4
95.08592	21.2
96.05300	0.4
97.02862	2.2
97.06511	3.3
97.10153	1.2
99.04401	1.1
99.08016	0.7
105.07013	15.1
107.04942	5.6
107.08573	15.5
108.35376	0.4
109.06499	2.9
109.10120	3.1
111.04379	0.8
111.08068	0.8
115.05423	0.6
116.06166	0.4
117.06992	4.8
119.08570	12.4
121.06482	3.5
121.10112	6.9
123.08084	2.2
125.05960	1.1
125.09583	1.5
127.07483	0.9
128.06236	0.7
129.06981	5.9
130.07738	0.8
131.08504	1.1
133.06522	0.6
133.10110	5.2
135.08008	1.6
135.11671	24.0
135.90550	0.4
139.07478	0.8
143.08559	3.0
145.10101	14.3
147.07967	0.9
147.11662	10.1
153.12718	0.7
159.11664	0.8
161.09535	1.2
161.13252	4.4
163.11154	29.1
171.11661	8.1
181.12209	5.1
184.07291	1.6
189.12729	3.4
197.09413	0.5
207.13766	7.2
209.11714	0.6
225.14780	1.0
227.12752	27.3
228.13058	0.9
232.14098	0.4
250.81226	0.5
281.17435	51.5
282.17776	1.3
283.15359	26.6
284.15759	0.7
302.07684	0.5
489.28387	100.0
490.28754	5.2
507.29681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.1
55.01851	2.2
55.05505	20.6
57.03427	13.1
57.07069	45.8
58.13726	1.4
59.05021	1.5
65.03949	1.6
67.05159	2.2
67.05497	31.3
69.03419	13.3
69.07065	13.6
70.24311	5.5
71.04975	5.0
71.08621	32.5
73.02886	1.3
79.05492	17.9
81.03407	58.4
81.07044	37.9
83.04972	23.8
83.08606	25.8
83.09081	0.9
85.02897	13.9
85.06516	2.5
85.10174	17.3
86.09733	1.3
89.05998	1.7
91.05450	16.9
93.07027	15.7
95.04955	18.5
95.08593	34.2
97.02880	14.7
97.06486	3.7
97.10162	9.4
98.21485	1.5
99.04443	3.0
105.07028	17.1
107.04922	5.9
107.08575	9.6
109.02872	8.6
109.06484	3.4
109.10146	19.9
111.04411	9.2
111.08065	8.8
113.05952	2.0
117.07007	2.1
119.08564	15.0
121.06506	4.1
121.10100	9.5
123.08081	2.3
123.11706	6.7
125.09597	1.9
127.03889	8.6
129.05486	9.2
129.06958	7.2
131.08560	8.3
133.10094	6.4
135.11626	6.6
137.09669	1.4
137.13257	2.9
138.20224	1.3
142.07719	1.7
145.10075	5.4
147.07962	1.9
147.11697	16.6
149.09622	4.5
153.12772	1.9
157.10092	10.4
161.13205	1.7
163.11127	8.6
165.12700	2.9
173.11644	1.4
175.11156	9.9
181.12277	2.3
184.07336	3.6
191.10675	3.1
193.10406	1.7
193.12206	36.5
209.70715	1.6
211.13266	50.2
212.13580	2.1
227.12787	10.7
229.14423	6.3
239.23685	5.2
249.14822	2.3
257.24820	2.0
267.15909	15.6
273.15005	1.6
283.15408	2.8
285.16888	17.6
301.14069	1.5
313.27325	96.8
314.27536	6.4
335.25684	4.6
355.17426	4.8
383.27734	2.4
411.20258	3.0
429.21127	21.1
489.35306	2.7
505.38840	15.0
523.39880	100.0
524.40021	7.2
527.36829	1.7
545.38232	22.3
667.44086	31.7
668.44476	1.9
685.28461	10.1
686.29114	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.0
55.01847	2.7
55.05500	15.4
57.03419	9.6
57.07064	33.4
61.02911	1.3
63.56890	1.1
65.03931	1.8
67.05490	31.1
68.79620	1.0
69.03419	7.5
69.07047	12.0
71.04966	4.4
71.08617	22.9
79.05473	14.2
81.03399	58.0
81.07037	29.1
82.03733	1.1
83.04964	28.3
83.08599	22.3
85.02884	13.4
85.06510	2.0
85.10162	12.3
87.84691	0.8
88.23534	1.0
91.05433	15.2
93.07014	11.7
95.04950	15.8
95.08580	24.0
96.99097	0.9
97.02872	9.5
97.06496	4.2
97.10134	7.8
98.21444	2.2
99.04401	2.7
99.08054	1.8
103.05457	1.1
104.70892	1.0
105.07011	11.0
107.04919	3.3
107.08546	7.4
109.02840	7.7
109.06479	3.5
109.09448	1.4
109.10136	18.0
111.04418	9.7
111.08042	8.3
117.06976	1.6
119.08559	12.7
121.06438	1.4
121.10118	7.6
123.07994	1.1
123.11699	4.8
125.09624	1.2
127.03879	3.9
129.05472	9.0
129.06975	6.3
131.08528	6.5
133.06482	1.9
133.10126	5.8
135.11633	2.7
137.09605	1.7
137.13145	1.2
142.07710	1.6
145.10100	3.3
147.08034	1.8
147.11655	8.6
149.09576	4.3
153.12723	2.7
157.10091	9.0
163.11122	4.0
165.09195	1.0
165.12694	3.2
173.11702	1.3
173.85051	1.0
175.11122	10.0
181.12149	1.3
184.07320	2.7
189.11235	1.0
191.10645	2.5
193.12204	33.4
201.50861	1.0
210.56065	1.1
211.13237	47.4
212.13686	1.4
215.39453	1.1
227.12648	5.7
229.14294	13.2
229.36591	1.1
239.23689	5.0
249.14952	1.5
255.55226	1.0
257.24835	1.2
261.22061	1.4
267.15866	12.8
283.15201	2.2
285.16803	9.7
301.14044	1.6
306.27792	2.3
309.17081	1.2
313.27292	60.6
314.27576	3.2
319.15240	1.1
335.25732	6.4
337.16397	1.8
355.17346	5.3
411.20053	2.3
429.15729	1.5
429.21164	19.9
430.21463	1.6
476.00793	1.1
489.35916	5.6
505.38879	9.7
523.39844	100.0
524.40033	8.4
545.38031	1.9
631.41150	1.3
635.24945	5.4
667.43945	20.8
668.44385	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	51.1
62.75787	1.4
69.93192	8.7
81.07050	2.1
91.05460	6.1
105.06986	1.7
147.11630	7.9
233.03644	3.3
251.04672	12.3
327.07767	100.0
328.08163	2.6
356.90115	1.8
376.68976	1.6
383.14026	55.1
384.13879	2.0
439.20288	92.8
440.20895	2.9
495.26523	80.8
496.26596	3.1
524.48175	1.7
551.32855	29.8
607.39020	86.4
608.38672	3.1
663.45282	77.4
664.45740	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	680.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.4
55.01857	3.5
55.05254	2.0
55.05500	24.7
57.03431	15.6
57.07046	7.0
59.04980	3.1
61.94210	1.4
65.03923	2.8
67.05493	100.0
68.05804	2.2
69.03416	2.5
69.06715	2.0
69.07056	26.8
69.28217	5.9
69.28635	11.7
70.96581	1.3
71.04962	5.8
71.08601	4.0
79.05479	52.5
81.03391	3.2
81.07040	83.8
82.07390	2.1
82.32028	1.5
83.04949	5.8
83.08608	21.1
85.06520	5.5
91.05460	34.1
93.07027	61.1
95.04942	10.3
95.08591	52.1
97.06501	7.1
97.10146	10.2
98.06041	2.6
98.21523	3.1
99.08057	3.5
105.07012	33.4
107.04938	4.1
107.08574	42.8
109.06489	6.0
109.10136	50.9
111.08034	6.0
117.07003	12.2
119.08570	25.4
121.10109	24.5
123.08006	3.1
123.11681	9.1
125.09603	6.3
128.06175	1.3
129.06989	2.4
131.08542	19.7
133.10114	21.4
135.08023	4.4
135.11661	14.8
135.53519	1.5
136.12000	1.7
137.09537	3.9
137.13133	2.3
143.08533	3.8
145.06503	1.4
145.10094	12.7
147.11644	13.6
149.09534	7.7
149.13235	9.6
151.11154	2.8
155.08572	2.1
157.10100	4.3
159.11642	11.9
161.13190	7.9
163.11130	2.9
163.14783	3.7
165.12692	2.5
169.10088	2.1
171.11621	3.0
173.11700	7.8
173.13225	8.3
177.12639	3.0
181.12071	1.7
183.11690	2.2
184.07436	1.7
185.13228	2.0
187.14676	3.1
189.11186	3.1
195.13858	1.9
197.13240	2.2
201.16408	2.0
211.14726	2.4
227.12785	10.1
229.14301	34.3
229.19295	1.9
239.17876	3.2
243.21007	6.2
255.15686	1.8
257.18970	4.5
259.20477	2.8
261.22073	11.7
267.15814	2.3
269.17456	19.4
270.17874	2.0
275.20010	23.2
293.21109	2.6
313.27283	3.8
317.24734	1.9
333.24240	3.0
335.25732	89.6
336.25955	4.4
349.23654	17.9
350.62775	1.6
367.24719	14.6
385.56726	1.8
467.36978	4.1
471.34219	2.0
489.35699	20.6
505.35120	1.7
507.36563	1.9
508.36884	2.7
515.37006	4.5
527.36914	3.3
529.31390	2.5
529.38788	31.9
530.38910	2.6
541.51593	1.9
609.44983	16.9
610.45361	2.5
627.45856	13.5
680.40479	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
53.03940	2.6
55.01866	0.9
55.05251	0.6
55.05498	7.7
57.03421	3.2
62.00984	0.4
62.14291	0.4
65.03917	1.5
65.30232	0.4
67.05489	24.4
69.07054	4.8
69.51747	3.8
69.52084	0.4
71.04964	1.2
72.71674	0.4
73.06544	0.9
77.03883	1.0
79.05476	39.0
81.03407	5.2
81.07040	20.2
83.04962	6.7
83.08602	3.1
85.02885	0.7
85.06522	1.5
89.02283	0.4
91.05461	27.0
93.07023	36.9
94.07340	0.5
95.04948	11.4
95.08587	13.7
97.02859	0.7
97.06516	2.8
97.10138	1.5
99.08079	0.6
105.01978	0.4
105.04474	0.8
105.07005	21.8
107.04928	3.0
107.08558	9.9
109.06498	3.1
109.10119	1.9
110.98054	0.4
111.08067	0.6
113.05965	0.4
115.05413	0.9
117.07007	5.0
119.08553	14.4
121.06464	2.3
121.10116	2.3
123.08054	3.0
127.07539	0.8
128.06180	1.4
129.06981	9.6
130.07738	0.5
131.08545	1.4
133.06412	0.8
133.10098	5.3
135.08011	0.4
135.11671	0.8
141.09181	0.5
143.08533	5.9
145.10104	6.7
147.08020	1.6
147.11658	22.1
159.11655	0.9
161.09583	1.9
161.13217	7.2
163.11162	1.0
165.09132	0.5
171.11641	15.6
172.12003	0.5
179.14284	0.8
189.12679	7.4
207.13754	17.7
208.14175	0.9
221.34827	0.4
225.14836	1.6
263.16364	1.2
270.17923	0.4
281.17413	41.9
282.17731	1.1
328.52057	0.5
410.30914	0.4
469.29532	2.7
487.30447	100.0
488.30713	5.9
543.36755	1.4
631.34442	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01862	0.9
55.05490	1.6
57.03420	1.2
61.02919	4.0
67.05495	4.5
69.03419	2.7
69.06705	0.4
69.07045	2.1
71.04975	0.9
71.61951	0.7
73.02905	2.8
79.05492	2.7
81.03404	3.6
81.07052	4.5
83.04962	1.2
83.08603	1.2
84.17322	0.4
85.02899	4.7
85.06506	0.9
91.03945	1.9
91.05457	3.9
93.07027	4.4
95.04964	2.5
95.08585	1.7
97.02867	3.5
97.06515	1.1
99.04466	1.0
101.02371	1.5
101.55904	0.4
105.07015	3.1
107.08551	2.2
107.57697	0.5
109.02863	0.8
109.06519	1.6
109.10137	1.0
111.08083	1.3
111.11353	0.5
117.06979	0.9
119.08556	2.8
121.06554	0.6
121.10094	2.3
121.97074	0.4
123.11653	0.6
125.09663	0.7
127.03887	1.4
129.06964	0.9
131.08559	1.6
133.10086	2.4
135.08054	0.5
135.11656	0.8
145.02838	0.5
145.10110	1.4
147.08006	0.5
147.11696	1.4
147.85155	0.4
148.72147	0.5
149.09625	0.8
149.13263	1.3
151.11188	0.6
157.10106	1.4
159.11713	1.0
162.41827	0.4
163.11298	0.5
175.11163	0.6
177.05515	1.2
184.07222	0.5
185.04207	0.9
193.12265	1.7
203.18065	0.5
211.13176	0.6
235.13066	1.0
243.08411	1.8
251.12621	0.5
269.17313	0.4
274.97427	0.5
285.16998	0.6
307.15384	0.7
349.15128	0.5
366.42722	0.5
429.17960	1.1
436.28043	0.6
438.30444	0.4
453.20950	5.2
469.20392	8.9
623.32813	0.6
636.57861	0.5
681.34430	100.0
682.34766	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	678.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01863	1.0
55.05500	3.0
56.05025	0.9
57.03422	1.1
57.07049	1.1
58.06585	0.4
60.08157	5.6
65.03918	0.6
67.05496	9.5
69.03411	0.6
69.07059	4.9
71.04976	1.5
71.07368	2.6
71.08627	0.7
74.72619	0.3
79.05047	0.6
79.05482	8.1
81.03394	1.2
81.07047	8.7
83.04967	1.3
83.08601	1.5
85.06521	0.7
85.10185	0.5
86.09695	27.6
91.05469	5.8
93.07030	8.3
95.04955	1.8
95.08593	6.5
95.09163	0.7
97.06528	5.6
97.10160	0.7
98.11546	0.3
98.98454	3.3
99.08057	0.9
104.10708	1.7
105.07018	5.3
107.04928	0.9
107.08572	5.1
109.06483	1.2
109.10139	4.6
111.08098	0.6
115.07549	2.7
117.07033	2.0
117.07741	0.3
119.08565	3.8
121.10125	3.1
123.08071	0.8
123.11684	1.0
124.99987	18.5
129.06984	0.9
131.08549	3.3
133.06462	0.5
133.10139	3.3
135.08012	1.0
135.11719	1.8
137.09549	0.5
143.01064	0.5
143.08525	0.8
145.10133	1.8
147.11647	1.6
149.09547	0.8
149.13246	1.0
151.11154	1.0
155.01128	0.4
157.10118	1.0
159.11676	1.6
161.09619	0.7
161.13239	0.9
163.11188	0.7
163.14708	0.4
171.11682	0.7
173.13193	1.2
177.12680	0.4
179.14394	0.6
181.25183	0.4
184.07315	100.0
185.07730	0.5
185.13213	0.4
187.14735	0.6
189.16241	0.4
203.17836	0.5
217.15834	0.6
241.19365	0.4
243.21126	0.4
253.14352	2.5
259.20575	1.1
261.22153	1.0
266.03442	0.4
269.17450	0.6
273.18546	1.7
275.20010	1.0
291.19467	1.6
293.21146	0.5
313.27713	0.5
333.24179	0.9
335.25778	5.1
365.23343	1.2
367.24536	0.6
505.38678	0.7
506.39084	2.2
507.40344	0.6
513.35681	0.6
529.39026	2.2
607.43506	0.8
611.47021	0.4
625.44073	2.0
643.45471	0.5
678.46875	9.1
679.47052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
53.03933	4.1
53.86427	1.4
54.46340	1.4
55.01860	6.1
55.05504	38.7
57.03430	15.9
57.07076	11.4
57.37008	1.6
60.08159	5.9
65.03923	5.3
67.05496	100.0
69.03428	2.7
69.07058	37.8
69.72105	9.0
70.46480	1.8
71.04983	5.9
71.07360	2.5
71.08614	8.4
74.75851	1.5
79.05482	76.9
80.46873	1.3
81.03411	9.5
81.07046	88.3
83.04970	7.6
83.08604	23.2
84.86862	1.9
85.06528	5.7
85.10162	3.7
86.09697	27.5
91.05469	80.2
93.07034	77.0
93.07898	2.0
95.04961	15.1
95.08597	62.8
97.06525	8.3
97.10162	9.9
98.20804	2.2
98.98444	2.8
99.08083	4.0
103.05409	2.0
104.10756	2.3
105.04585	1.7
105.07018	75.4
107.04949	3.8
107.07856	2.9
107.08582	46.1
108.08903	1.5
109.06525	5.9
109.10143	36.5
109.10896	2.0
111.08072	6.8
115.05424	4.9
117.07006	30.5
119.08565	59.5
121.06461	2.3
121.10129	31.0
123.08047	4.9
123.11668	7.6
124.99974	18.5
125.09627	5.8
128.06219	5.2
129.06995	20.2
130.07813	4.1
131.08549	40.5
133.10117	44.0
133.11072	3.2
135.08057	3.5
135.11673	22.0
137.09581	3.6
137.13274	3.5
141.06961	6.3
142.07782	4.6
143.08543	20.2
145.10107	34.3
145.11273	2.1
147.07925	1.9
147.11674	34.5
149.09613	6.2
149.13239	12.8
151.11192	4.0
154.07675	1.4
155.08516	10.1
157.10127	21.6
159.11655	27.6
161.13226	16.6
163.11198	4.0
163.14818	3.3
165.12700	1.7
167.08546	5.1
168.09389	2.5
169.10097	10.8
171.11681	18.4
173.11765	4.5
173.13251	17.5
175.14819	6.3
177.12712	3.6
179.14302	5.6
181.10086	4.7
183.11639	11.5
184.07330	79.0
185.13225	13.3
187.14838	5.0
189.11192	1.9
189.16362	4.1
195.11714	5.1
195.13754	1.8
197.13220	8.8
199.14786	9.4
201.16301	1.9
209.13208	8.3
210.86156	1.6
211.14761	4.5
213.16389	4.2
215.14330	2.2
215.17874	3.0
221.13306	2.8
223.14780	4.2
225.16310	3.6
227.12730	2.6
227.18015	2.2
229.14276	14.7
229.19627	2.0
229.40204	1.9
231.21004	2.3
237.16377	2.0
239.18054	3.7
241.19695	8.7
253.19688	2.3
257.18994	6.4
259.20538	25.8
261.22229	4.0
267.15997	3.3
269.17459	4.3
275.20038	5.6
277.21646	4.1
285.22061	2.2
291.19540	4.5
293.21078	6.5
297.22156	1.6
313.27380	8.8
315.23224	3.9
333.24231	14.8
335.25790	5.0
349.23737	3.5
365.23392	3.1
365.28033	2.1
367.24786	3.4
378.87473	1.5
435.32590	3.2
456.72913	1.6
467.37305	13.1
476.21606	3.2
501.35355	2.4
505.38791	1.9
506.39117	12.4
507.36185	3.2
513.35773	2.3
517.40173	5.9
527.37250	11.4
536.23230	4.2
545.38489	4.7
567.40564	1.9
591.44104	2.3
609.26691	15.2
609.45154	25.4
625.44220	6.8
678.46832	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	679.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.6
57.03404	1.2
58.99846	1.0
61.02895	1.2
69.03413	4.7
71.01332	0.5
71.04969	0.6
73.02879	1.4
74.03580	0.3
77.00893	1.8
81.03371	1.7
82.99861	1.9
83.04942	0.4
85.02891	10.1
87.04445	0.5
91.05459	0.8
94.99825	0.7
95.01899	1.6
97.02865	4.6
99.04407	1.1
101.00182	0.4
101.00848	9.2
103.05398	0.5
105.00365	0.6
105.03378	0.4
107.04970	0.5
109.01414	0.5
109.02850	2.0
113.00838	1.5
115.02403	1.2
115.03907	0.4
117.03316	0.4
118.04121	0.5
119.01897	32.1
119.04881	0.7
120.01973	1.5
121.01580	0.7
121.02023	0.4
121.02824	3.7
121.06464	0.5
123.04408	0.8
127.02355	1.5
127.03883	5.3
128.04189	0.4
129.00285	0.5
129.03961	0.7
129.06953	0.4
131.01880	8.1
133.03485	1.9
135.04358	0.7
137.01956	0.4
137.02927	5.6
137.05925	1.0
138.02945	0.4
139.02397	1.3
139.03860	0.9
142.01048	1.8
142.03474	1.8
143.01868	23.0
144.01944	0.9
145.03412	12.1
145.04904	3.6
146.03510	0.4
147.01389	2.1
147.03181	0.8
147.04361	3.2
149.03001	1.9
151.04581	0.4
153.04010	0.4
155.00587	0.9
155.01860	15.0
156.01939	0.7
157.02205	0.7
157.03439	11.6
157.06363	0.5
158.03584	0.9
159.03175	1.6
159.04991	0.8
160.02156	2.5
160.41574	0.3
161.02924	29.0
162.03030	0.9
162.07521	0.5
163.03926	2.7
163.05788	0.4
165.03944	0.5
167.01846	5.5
167.07013	1.2
169.03448	2.9
171.01384	0.9
171.05000	2.9
173.02933	26.6
174.03062	1.1
175.02921	0.8
175.04500	6.0
177.02397	1.2
177.04024	0.7
179.01878	3.6
181.03461	1.4
183.05051	2.2
184.04538	1.2
184.05940	0.4
185.02917	39.8
186.03096	1.2
187.02959	0.6
187.04495	5.5
189.04041	0.8
189.05983	0.8
191.02245	0.4
191.03937	1.1
191.05522	0.9
193.03403	1.6
195.05031	1.1
196.04562	1.0
197.02914	14.3
197.06593	0.5
199.04489	1.6
201.04092	0.9
201.05980	0.9
203.03943	14.0
203.05539	4.3
204.04060	0.7
205.03719	0.8
205.05511	1.8
207.04988	6.7
208.04311	0.7
208.06021	0.6
209.02921	1.4
209.06581	2.9
211.04463	2.0
211.06396	0.8
213.06020	1.6
215.03880	7.5
215.05547	8.2
217.03529	0.8
217.05397	0.8
219.05014	6.7
219.07016	0.5
221.04924	9.9
221.06578	21.1
222.05124	1.1
222.06868	1.0
223.04649	1.3
223.06606	4.2
224.06924	0.5
225.06056	3.6
226.05383	0.8
227.03940	8.5
227.07448	0.9
229.03465	0.4
229.05533	0.7
231.05063	1.0
233.06552	82.4
234.06802	3.1
235.04515	7.5
235.06633	1.5
236.04750	0.4
237.06039	5.3
238.05568	0.8
239.03998	2.2
239.07616	0.6
241.07640	1.6
243.07246	0.7
244.08379	0.6
245.04994	69.2
246.05122	2.7
247.04430	7.0
247.06604	1.2
249.05998	3.9
251.07620	14.2
252.07941	0.5
253.05525	9.5
255.07001	1.0
256.08179	4.1
257.05023	4.1
259.04370	1.0
259.06595	0.6
261.06024	2.2
263.03302	0.6
263.05914	9.4
264.07770	0.5
265.05469	5.2
265.07828	1.4
267.07080	1.9
271.06458	1.4
273.08148	2.0
274.08710	1.2
275.05911	6.4
276.06732	0.5
277.05469	23.6
278.05655	1.0
279.07144	0.8
286.07739	0.9
287.05984	0.6
289.05411	3.3
289.09131	0.4
291.07013	6.1
293.07098	2.6
295.06558	18.7
296.06931	0.9
296.53674	0.4
300.07153	0.5
301.05530	0.5
305.07150	5.6
305.10504	0.7
307.06610	1.6
309.08139	13.9
310.08340	0.4
313.07648	1.9
317.07819	0.4
318.08176	1.6
319.06412	4.1
323.09756	0.4
332.09753	0.8
333.10205	0.6
335.07797	2.3
336.09125	0.4
337.07660	9.4
337.09897	6.0
343.08786	1.1
347.07599	0.4
351.10785	0.9
354.10696	0.9
354.60770	0.6
355.08633	24.3
356.08984	1.2
360.09033	0.5
361.07590	0.8
365.09250	5.3
366.09006	0.5
367.10864	5.9
368.11011	1.3
369.10626	3.0
373.09741	3.6
378.10287	1.7
379.08670	4.2
381.07355	0.4
383.09781	0.7
391.08765	1.0
397.09714	100.0
398.10052	2.8
409.09702	21.3
410.09839	0.8
415.10989	2.0
421.09637	4.2
425.10892	0.7
427.10818	8.2
433.09894	1.1
438.12436	2.0
439.10733	4.6
445.12119	0.5
451.10651	2.6
457.11853	5.5
469.11707	1.1
481.11911	7.7
482.11600	0.6
487.12891	6.9
497.11945	1.8
499.12915	14.7
517.13898	5.0
559.14862	0.6
589.16223	1.1
679.19177	10.1
680.30969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
55.01854	8.3
55.05256	3.2
55.05501	41.7
57.03424	16.3
57.07055	8.2
60.08150	4.2
62.83635	1.6
63.16199	1.7
65.03928	4.3
67.05492	91.6
68.05833	1.8
69.03422	4.2
69.07059	33.2
71.04970	6.1
71.08604	4.8
71.22703	2.4
71.23060	4.2
75.04494	2.2
79.05479	74.9
80.81147	1.8
81.03399	9.7
81.07045	100.0
82.03734	2.6
83.04982	11.4
83.08601	21.6
85.06542	4.8
86.09674	10.3
91.05466	72.6
93.07027	83.8
93.51468	1.7
95.04958	18.0
95.08589	60.5
97.06529	11.1
97.10156	7.9
98.98443	3.0
99.08075	4.8
105.04543	1.9
105.07018	74.6
107.04962	4.4
107.08575	54.9
109.06483	6.9
109.10139	24.7
111.08043	9.8
117.07000	32.0
119.08563	59.9
121.06487	5.1
121.10126	32.2
122.18340	2.2
123.08032	5.9
123.11666	6.3
124.99982	8.0
125.09627	5.4
128.06157	2.6
129.06979	17.5
130.07808	2.7
131.08545	35.3
133.10109	47.8
135.08089	4.7
135.11673	28.5
137.09615	6.2
139.11131	2.0
141.06949	5.4
142.07802	3.3
143.08556	15.8
145.10110	34.2
147.08035	2.7
147.11655	38.2
149.09583	8.1
149.13229	13.2
151.11124	5.0
155.08511	6.1
156.09259	2.1
157.10097	19.8
159.08025	2.5
159.11665	26.3
161.13260	19.2
162.13461	2.5
163.11093	5.2
167.08533	5.3
169.10072	10.3
171.11671	18.6
173.13188	13.6
175.11157	5.4
175.14790	9.1
177.12708	5.9
177.14209	2.2
181.10056	3.1
181.12141	3.4
183.11681	7.3
184.07301	42.6
185.07603	4.3
185.13199	12.3
186.07683	2.1
187.14740	5.4
191.67081	1.9
193.10138	3.1
193.12097	3.1
195.11650	4.3
197.13213	8.7
199.14804	8.2
207.11699	2.9
209.13235	4.3
211.14841	4.0
213.16368	5.3
223.14867	4.1
231.20914	4.7
239.17863	3.0
241.19414	17.1
253.14276	3.4
255.15787	12.9
256.47876	2.2
257.18994	7.3
259.20535	39.6
261.22156	3.5
267.15808	4.3
269.17386	15.7
275.20053	16.6
277.21460	3.0
315.23166	6.4
315.48706	2.3
333.24274	39.8
335.25879	2.1
349.23773	10.6
350.23779	2.1
367.24582	4.6
417.31470	2.3
421.30756	4.2
435.32336	7.7
453.33588	4.9
506.38641	10.1
513.35931	19.0
515.38184	5.7
517.39130	2.2
527.37347	36.3
528.37671	2.6
531.36340	4.8
533.39728	3.1
534.11426	2.3
537.40247	2.4
545.37866	3.5
551.41901	2.4
561.50793	2.4
567.13403	2.6
607.43396	11.0
625.44489	18.9
678.46252	2.3
685.62079	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01864	11.0
55.05503	19.7
57.03427	24.9
57.07066	2.3
58.06606	1.1
59.04995	2.0
60.08149	1.8
61.02911	5.2
63.32993	0.9
65.03929	2.5
65.63828	0.8
67.02354	0.9
67.05495	57.1
68.05858	1.0
69.03421	6.9
69.07053	16.4
69.95844	1.7
69.96257	4.2
71.01342	6.8
71.04990	5.1
71.07358	1.8
73.02905	5.1
79.05481	50.8
80.05809	1.4
80.06236	1.0
81.03408	25.0
81.07042	36.5
82.04175	3.3
82.07352	1.8
83.04967	20.4
83.08617	8.8
84.05744	1.1
85.02895	7.1
85.06528	5.6
86.09698	15.6
90.48683	0.9
91.03916	1.8
91.05463	27.3
93.07029	59.2
94.07338	2.0
95.04955	18.2
95.08590	14.2
97.02884	6.7
97.06516	17.3
97.10155	19.5
98.07291	4.3
98.20823	1.7
98.98460	0.9
99.04423	2.2
99.08089	4.4
103.05437	1.1
104.10738	1.1
105.03400	1.1
105.07025	13.5
107.04948	7.4
107.08578	38.9
108.08871	1.2
109.02829	0.9
109.06525	4.8
109.10147	14.1
111.04404	2.9
111.08074	5.9
111.11749	1.0
113.05978	1.7
115.05392	1.2
116.04698	10.0
117.06996	8.1
119.08566	14.8
121.06491	3.6
121.10132	13.7
122.10390	1.0
123.04421	1.0
123.08059	5.6
123.11645	1.9
124.99980	10.0
125.05971	1.5
125.09608	12.6
127.03910	1.5
127.07507	1.4
129.05461	18.8
129.06985	3.8
131.08565	6.1
133.06433	1.1
133.10107	10.2
135.08061	5.4
135.11671	65.1
136.11980	1.6
137.09576	6.1
143.06996	4.2
143.08574	1.7
143.10713	1.1
145.04987	1.1
145.10094	13.6
147.04382	1.9
147.08046	2.1
147.11688	4.8
149.09589	3.5
149.13210	1.5
151.11177	1.8
153.12744	4.8
155.08484	1.0
157.08580	8.0
157.10103	4.4
159.11612	1.5
161.09639	1.5
161.13211	1.4
163.11156	17.5
165.09106	4.3
165.12706	1.2
171.06514	4.1
171.10190	2.8
173.09605	2.4
173.11696	2.2
173.13097	1.3
175.11130	2.6
181.12199	17.2
184.07307	53.1
185.07896	1.6
189.11189	4.9
191.10654	4.4
193.12198	4.1
199.13251	11.4
200.13853	2.1
209.11710	6.8
210.12520	1.5
211.13295	3.6
227.12773	11.8
228.13225	1.0
229.14203	1.3
253.14397	1.2
255.15871	86.2
256.16284	2.2
265.14499	1.1
267.15900	6.6
269.17398	2.7
270.17941	1.4
271.18130	1.6
273.07520	1.1
278.73346	0.9
281.17392	1.0
283.15439	7.2
285.16913	2.0
286.17355	1.0
291.12189	0.9
301.16415	41.6
302.16672	2.2
309.13269	2.1
309.16907	3.4
311.22354	1.1
337.20114	2.1
362.96677	0.9
379.24680	4.0
397.25882	4.5
409.25836	14.3
410.26352	1.3
435.27188	1.3
437.28976	3.1
446.26688	1.6
447.27365	8.0
462.29193	1.3
463.26102	10.1
464.27576	12.6
465.27869	1.9
480.30154	3.3
481.27811	100.0
482.28183	9.0
678.37329	6.2
679.32556	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01624	0.5
55.01858	3.3
55.05500	5.7
57.03181	0.5
57.03427	6.2
57.07050	0.9
60.08160	1.1
61.02897	1.9
64.05100	0.4
65.03903	0.8
67.05491	23.4
69.03413	3.1
69.06710	0.6
69.07056	6.8
71.04990	3.8
71.07343	0.7
71.62694	0.5
73.02879	0.7
79.05478	12.8
81.02911	0.7
81.03401	24.5
81.07038	25.0
83.04955	8.3
83.08600	9.0
85.02888	10.3
85.06532	4.1
86.09195	0.7
86.09686	7.7
87.04465	0.8
91.03928	1.1
91.05460	23.9
93.06452	0.9
93.07024	14.2
94.07316	0.5
95.04951	11.3
95.08580	6.4
97.02874	2.4
97.06512	2.9
97.10152	2.1
98.98419	0.5
99.04431	1.9
99.08092	1.1
104.10723	0.9
105.03415	0.5
105.07007	21.2
107.04930	3.3
107.08573	18.5
109.02849	0.8
109.06491	4.4
109.10134	32.6
110.10465	0.8
111.04410	1.5
111.08049	3.6
113.05283	0.4
113.05962	2.7
114.83400	0.5
115.05351	0.6
117.06982	1.2
119.04903	0.9
119.07783	0.7
119.08560	7.8
121.06491	1.2
121.10124	4.2
123.04439	0.9
123.08032	1.6
123.11675	5.3
124.99982	4.2
125.09595	1.7
127.03860	0.6
127.07514	2.1
128.06229	0.8
129.06985	4.4
131.08546	4.7
133.06541	0.8
133.10104	43.9
134.10445	0.9
135.08038	1.2
135.11659	1.0
137.09578	1.7
139.03859	0.6
142.07790	0.7
142.08957	0.5
143.08466	0.9
145.10118	1.4
146.07109	0.5
147.04366	2.0
147.07999	1.5
147.11649	6.4
149.09599	3.2
151.11153	21.2
152.11420	0.7
153.02104	0.4
157.10115	5.6
159.11682	0.9
161.09595	1.8
163.11139	0.9
165.09309	0.5
165.12714	1.3
167.07079	0.5
169.12218	3.3
173.09610	0.5
175.11186	4.8
177.05423	1.0
179.10631	1.2
184.07301	23.3
193.12196	17.9
197.11568	0.5
211.13246	34.3
212.13530	0.8
215.12709	1.5
239.73981	0.5
253.14302	100.0
254.14653	2.1
255.15843	0.7
267.15863	7.9
271.15359	21.2
272.15750	0.7
285.16910	21.3
445.25827	6.6
463.26770	15.7
464.27151	1.3
470.97299	0.5
481.27875	59.1
482.28018	2.8
678.24384	1.1
678.36200	2.3
679.32648	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55320	0.1
55.01855	0.3
55.05490	0.4
56.05009	0.4
56.05850	0.1
57.03419	0.5
58.06571	1.1
59.07350	0.8
60.08152	5.1
60.08464	0.2
61.02922	0.1
64.03252	0.1
67.05493	1.7
69.03407	0.3
69.07040	0.5
69.83558	0.5
69.83976	0.3
71.04970	0.2
71.07361	2.2
74.35531	0.1
79.05482	1.1
81.03413	0.9
81.07041	1.8
83.04961	0.5
83.08596	0.5
85.02892	0.6
85.06517	0.2
86.03225	0.1
86.09689	26.0
87.10018	0.3
91.05461	1.2
93.07025	1.6
94.80498	0.1
95.04937	0.7
95.08580	0.8
97.02883	0.2
97.06490	0.4
98.21497	0.2
98.98438	2.0
104.10725	1.9
105.07017	0.9
107.04905	0.2
107.08581	0.8
108.08893	0.2
109.06488	0.3
109.10115	0.6
111.08057	0.2
117.06982	0.2
119.08578	0.6
120.08802	0.1
121.06467	0.2
121.10098	0.6
124.99981	16.2
129.06981	0.3
131.08507	0.5
133.06511	0.2
133.10098	1.0
135.08015	0.2
135.11676	0.4
137.09546	0.2
138.91676	0.1
140.68448	0.1
143.01013	0.3
143.08492	0.2
145.10150	0.3
147.04401	0.3
147.11646	0.4
149.09595	0.2
149.13272	0.2
151.11131	0.4
153.01794	0.2
157.10089	0.3
159.11705	0.2
160.91016	0.1
163.11163	0.3
179.14229	0.1
184.07303	100.0
185.07652	0.7
193.12228	0.4
194.12444	0.1
211.13286	0.5
212.13461	0.1
222.08885	0.8
224.10480	0.2
253.14287	0.7
255.15799	0.5
257.68140	0.1
267.15839	0.2
269.17465	1.1
271.15369	0.3
283.15359	0.5
285.16949	0.3
286.17426	0.2
354.13177	0.2
437.28955	0.1
445.29868	0.2
449.27982	0.2
450.22537	0.1
463.26602	0.5
463.30542	0.5
479.29938	0.2
481.28006	1.0
504.92917	0.1
577.33441	0.2
593.21564	0.1
632.35651	0.2
643.70050	0.2
678.35986	10.5
679.35773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01857	1.8
55.05500	12.6
56.58457	0.9
57.03431	7.9
57.07062	4.3
61.02917	19.1
65.03922	2.2
67.05492	79.7
68.05823	1.0
69.03421	4.2
69.07059	15.2
71.04980	3.9
71.08617	3.3
73.02907	7.2
74.09663	1.2
75.04458	1.2
79.05476	45.4
81.03396	4.5
81.07041	89.2
82.07349	1.0
83.04982	3.1
83.08598	9.9
85.02887	22.1
85.06528	4.0
86.09699	1.6
91.03935	24.3
91.05465	24.2
93.07024	59.8
95.04956	3.5
95.08588	73.4
96.08917	1.2
97.02875	11.6
97.06530	4.6
97.10162	2.9
99.04428	2.0
99.08080	3.6
103.03890	1.8
105.07001	22.3
107.04927	1.6
107.08572	38.1
109.02847	1.6
109.06506	2.0
109.10133	37.1
111.08084	3.0
111.11717	1.5
113.09614	1.8
115.03930	1.1
117.07001	9.4
119.08556	17.8
121.06525	1.2
121.10122	37.0
123.08028	2.1
123.11681	21.9
124.53674	0.9
125.09622	1.7
127.03880	8.7
129.06992	1.4
131.08537	21.0
133.10106	17.1
135.08040	1.1
135.11662	30.5
137.06021	0.9
137.09581	2.4
137.13217	9.0
139.11186	2.7
143.08571	1.2
145.04926	9.7
145.10095	17.5
147.11655	14.2
149.13251	24.6
149.14397	0.8
151.14745	2.9
153.12677	1.8
159.11667	15.3
161.09569	1.2
161.13219	10.9
163.05989	15.2
163.11119	1.4
163.14793	13.3
165.12733	3.4
171.11710	1.4
173.13242	15.6
173.36557	0.9
174.13474	1.1
175.14786	4.7
177.12724	1.9
177.16304	7.1
179.14278	4.0
184.07326	2.9
187.14801	11.0
191.14403	2.2
193.04845	1.6
195.25755	1.0
201.16359	4.2
205.15843	1.5
211.49701	0.9
215.18002	1.6
219.17485	2.0
221.22914	0.9
233.22647	3.0
243.21033	38.1
244.21461	1.5
261.22083	100.0
262.22433	4.7
269.17688	1.1
279.23199	5.8
317.24673	1.4
330.17264	1.0
335.25726	38.1
336.26334	1.5
353.26776	43.9
354.27203	3.2
405.25854	1.1
443.28033	1.2
461.28549	1.5
465.20734	2.5
497.31210	7.5
677.34949	25.9
678.34436	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.1
56.05020	0.5
57.03420	0.1
58.06293	0.1
58.06612	0.5
58.08924	0.0
59.07130	0.1
59.07388	0.1
60.08153	6.6
63.06776	0.1
67.05478	0.2
69.07050	0.1
69.79345	0.1
70.06573	0.2
70.19019	0.3
71.07359	2.9
79.05469	0.2
80.74155	0.1
80.97430	0.1
81.03405	0.1
81.07034	0.2
85.02886	0.1
86.09691	31.3
87.10018	0.1
91.05461	0.2
93.07014	0.2
95.04930	0.1
95.08607	0.1
98.20761	0.1
98.56197	0.1
98.98443	2.5
104.10020	0.1
104.10726	2.4
105.07018	0.3
107.04907	0.1
107.08581	0.1
109.10103	0.1
119.08540	0.1
121.06519	0.1
121.10104	0.1
124.99982	20.4
127.03939	0.1
129.06943	0.1
133.10115	0.1
135.11684	0.1
143.01051	0.3
146.10274	0.1
153.01813	0.3
154.02211	0.1
163.03894	0.1
163.11208	0.1
169.08495	0.1
171.02882	0.2
184.07307	100.0
185.07640	0.5
195.02942	0.1
209.11841	0.1
289.07068	0.2
290.07471	0.2
450.22656	0.1
468.23550	0.2
660.35120	0.4
678.36029	14.2
679.36420	0.4
706.95929	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	677.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01865	0.5
55.05499	1.5
57.03434	1.4
61.02913	3.4
67.05490	5.7
69.03423	2.2
69.07046	1.7
70.68518	0.6
71.01333	0.4
71.04980	0.6
73.02901	2.2
78.73672	0.2
79.05479	4.9
81.03403	1.8
81.07040	6.9
83.04967	0.7
83.08616	1.2
85.02884	3.7
85.06535	0.4
86.09710	0.3
87.04481	0.4
91.03936	2.5
91.05457	3.5
93.07023	6.7
93.07615	0.4
95.04938	1.1
95.08591	3.6
97.02876	3.2
97.06504	0.8
97.10153	0.4
98.20806	0.2
99.04437	0.7
99.08083	0.4
101.02364	1.2
103.03916	0.5
103.05428	0.2
105.06995	2.4
107.04905	0.2
107.08563	2.8
109.02872	0.6
109.06484	0.5
109.10136	1.3
111.08096	0.5
113.09641	0.2
113.15810	0.2
115.03916	0.2
117.06952	1.0
119.08559	1.9
119.24677	0.2
121.06464	0.4
121.10119	2.0
123.08047	0.5
123.11710	0.7
123.65231	0.2
127.03889	1.4
129.06981	0.6
131.08556	1.3
133.10130	1.5
135.11653	1.2
143.08540	0.5
145.04947	0.6
145.10132	0.9
147.04425	0.5
147.08092	0.3
147.11652	2.0
149.13200	2.3
159.11629	1.4
161.09653	0.2
161.13286	0.7
163.05939	0.3
163.14790	0.5
165.12775	0.2
171.11664	1.3
173.13269	0.4
177.12746	0.4
177.16422	0.2
184.07324	0.6
185.04202	0.5
187.14819	0.3
189.12686	0.3
195.13768	0.4
207.13797	0.3
209.11734	0.2
215.85963	0.2
235.13045	0.9
243.08374	2.1
243.21158	0.9
247.12990	1.3
261.22128	2.5
263.23883	0.2
269.17371	0.5
281.17371	0.4
291.15704	0.3
299.86053	0.3
303.15750	0.4
335.25815	0.8
353.26727	1.0
453.20859	8.6
465.20905	7.5
465.27560	0.3
466.21414	0.2
515.29254	0.3
591.23688	0.3
677.34912	100.0
678.35272	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	677.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01857	0.6
55.05502	1.8
57.03431	1.5
57.07061	0.6
59.81056	0.2
61.02921	4.1
65.03943	0.3
67.05495	7.9
69.03425	2.2
69.07059	2.3
69.11380	0.2
71.01350	0.5
71.04982	0.7
71.62595	0.2
73.02905	3.3
79.05047	0.4
79.05484	5.4
81.03409	2.0
81.07045	8.8
83.04967	1.1
83.08605	1.7
84.21366	0.2
85.02897	4.7
85.06528	0.5
86.09705	0.4
87.04491	0.2
91.03941	3.0
91.05469	3.9
93.07033	7.5
95.04943	1.5
95.08584	4.2
97.02874	3.6
97.06511	1.2
97.10145	0.5
99.04443	0.9
99.08115	0.3
101.02360	1.6
105.07020	2.8
107.04944	0.4
107.08584	4.2
109.02866	0.6
109.10144	2.3
111.08083	0.9
115.03915	0.4
117.06995	1.3
119.08554	1.9
121.06482	0.3
121.10136	2.4
123.08059	0.5
123.11700	1.0
125.09626	0.4
127.03898	1.6
129.07014	0.9
131.08574	1.1
133.10060	1.7
135.08015	0.3
135.11678	2.0
137.09706	0.3
137.13239	0.3
143.08603	0.6
145.04933	0.7
145.10139	1.1
147.04449	0.5
147.08113	0.4
147.11664	2.3
149.13239	3.1
151.11160	0.3
158.69162	0.2
158.89926	0.2
159.11678	1.5
161.09599	0.4
161.13264	1.1
162.36530	0.2
163.05966	0.6
163.14830	0.6
165.12775	0.2
171.11681	1.2
173.13255	0.7
177.05362	0.2
177.12778	0.3
184.07341	0.9
185.04205	0.6
189.12766	0.4
195.13733	0.5
235.13010	1.0
243.08357	2.1
243.21077	1.4
247.13002	1.2
261.22104	4.1
269.17322	0.5
281.17346	0.4
291.15781	0.8
303.15744	0.9
311.12802	0.3
335.25851	0.9
353.26755	1.5
453.20920	8.3
454.21277	0.3
465.20956	8.7
465.27664	0.5
466.21323	0.4
515.29828	0.5
677.34955	100.0
678.35248	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	676.4769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01858	12.2
55.05500	45.5
57.03415	12.7
57.07063	15.7
65.03926	6.1
67.05164	7.4
67.05494	93.8
69.03407	8.5
69.07064	36.5
71.04982	10.6
71.08614	6.5
71.62593	10.5
77.65180	5.1
79.05478	74.1
81.03397	19.9
81.07042	100.0
83.04972	10.9
83.08600	20.8
85.06557	10.9
86.09689	17.0
88.59984	5.5
91.05467	94.3
93.07026	72.9
95.04938	20.6
95.08604	60.0
97.06522	12.9
97.10161	10.0
98.98447	10.2
105.07013	88.9
107.04961	8.7
107.08590	66.5
109.10139	51.3
115.05435	5.5
117.07010	16.5
119.08560	52.9
121.10124	32.6
123.11681	17.5
124.99982	16.4
129.06920	11.1
131.08559	27.2
133.10112	82.4
135.08026	7.8
135.11693	23.0
136.06175	10.0
143.08537	9.5
145.10118	25.6
147.08110	6.0
147.11671	30.0
149.13229	11.6
150.29160	5.8
151.11154	28.4
151.14871	5.1
157.10083	13.1
159.11673	17.8
161.13222	18.2
168.20258	5.8
169.10045	8.7
171.11649	17.6
173.13316	6.3
175.14688	6.2
184.07318	65.5
185.13239	8.7
193.12224	7.0
209.72830	5.8
241.19484	14.4
249.36900	5.2
253.14304	73.8
257.19199	5.6
259.20526	36.6
273.18362	10.6
291.19525	16.2
315.22968	9.0
333.24164	47.5
335.25760	6.1
365.23135	19.6
423.31726	7.4
455.32111	7.6
504.37976	7.1
505.38623	21.1
511.34247	9.5
529.35016	15.8
535.42450	9.3
623.42700	21.2
641.44086	6.7
676.45917	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	676.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01867	13.9
55.05258	2.4
55.05501	33.8
55.58658	2.1
56.05845	3.2
57.03430	9.8
57.07070	11.2
60.08148	6.6
65.03880	2.2
67.05493	52.5
69.03429	4.4
69.07059	50.2
70.07388	2.9
70.80701	6.6
71.04978	6.0
71.07357	2.7
71.08613	5.1
79.05479	45.9
81.03406	34.3
81.07042	60.8
82.03744	4.2
82.07375	3.4
83.04978	10.1
83.08611	28.5
85.02891	2.2
85.06517	2.9
85.10186	4.6
86.09693	28.5
90.31490	1.7
91.05464	57.3
93.07027	48.4
95.01305	5.0
95.04949	21.9
95.08592	33.6
96.05274	2.7
97.02904	1.8
97.06529	19.6
97.10150	18.9
98.98444	27.7
103.05476	2.9
104.10747	2.6
105.07023	60.6
106.07335	3.6
107.04948	12.6
107.08578	29.5
109.06495	6.1
109.10101	14.4
111.08065	7.1
115.05424	2.3
117.07013	13.5
119.08572	42.1
121.06463	3.3
121.10103	13.5
123.08036	5.3
123.11704	3.5
124.99977	19.5
125.09623	5.4
129.06978	7.5
131.08527	21.5
133.10114	27.3
135.08058	5.2
135.11679	12.2
137.09660	3.2
143.08536	6.0
145.06432	2.4
145.10077	15.7
147.08035	3.7
147.11676	21.3
149.09595	10.0
149.13220	5.8
155.01028	5.9
155.08498	2.6
157.10086	9.2
158.10411	3.0
159.11661	12.6
161.09631	2.2
161.13304	9.9
163.11177	6.6
163.14903	2.3
165.09076	2.9
169.10086	3.6
171.11649	5.7
173.02069	4.7
173.13263	6.9
175.11195	6.7
176.11452	2.9
177.12746	2.9
179.14305	6.4
183.11659	2.0
184.07312	100.0
185.13246	3.5
187.11064	2.2
187.14908	2.5
189.12733	2.0
193.12187	7.0
194.12563	5.1
195.13618	3.1
219.17418	2.2
223.13174	3.0
227.12790	6.4
234.88965	1.9
237.22290	2.3
239.17926	4.4
241.19505	4.9
249.14735	3.5
255.15935	4.5
257.18921	5.4
259.20560	5.8
267.15851	9.6
268.16214	6.7
269.17325	8.9
273.18430	4.5
275.20010	57.7
291.19443	22.4
293.21130	6.1
311.25809	4.7
312.26071	8.0
313.27341	2.8
324.86835	2.0
331.22830	3.0
333.24228	11.7
349.23654	29.2
365.23331	6.9
367.24896	3.5
411.91290	1.8
503.37888	8.8
504.37592	86.5
505.38565	23.7
529.35120	15.3
535.39502	6.7
543.36774	39.0
623.43042	22.6
641.43988	4.9
676.45691	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	676.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52995	0.1
53.03928	0.3
55.01854	0.3
55.05504	1.4
56.05025	0.6
57.03419	0.4
57.07075	0.6
58.06621	0.4
59.07383	0.2
60.08154	6.5
67.05496	2.4
69.03410	0.1
69.07053	1.7
70.06587	0.2
71.04957	0.2
71.07359	2.7
71.08604	0.3
79.05486	1.8
81.03407	1.2
81.07045	2.9
83.04961	0.4
83.08610	1.1
85.06535	0.2
85.10169	0.2
86.09692	29.4
87.10027	0.3
91.05470	2.0
92.05782	0.1
93.07040	2.3
95.01336	0.2
95.04946	0.7
95.08592	1.3
97.06504	0.7
97.10167	0.5
98.98453	3.0
99.20182	0.1
104.10724	2.5
105.07013	2.6
107.04939	0.8
107.08568	1.4
109.06461	0.2
109.10153	0.6
111.04458	0.2
111.11767	0.1
115.05394	0.1
117.06998	0.6
119.08553	1.4
121.10128	0.8
123.11704	0.2
124.99986	18.7
125.09679	0.2
129.06992	0.3
131.08559	0.9
131.47728	0.1
133.06535	0.1
133.10104	1.5
135.08031	0.2
135.11639	0.6
137.09622	0.3
143.01050	0.3
143.08643	0.2
145.10138	0.7
147.11665	0.8
149.09583	0.6
149.13264	0.3
157.10091	0.3
159.11641	0.6
161.13313	0.2
163.11137	0.7
164.11557	0.2
166.02682	0.2
171.11708	0.2
173.13278	0.3
175.11081	0.1
179.14305	0.3
184.07312	100.0
185.07663	1.1
185.13174	0.1
193.12216	0.3
194.12439	0.1
211.13235	0.1
211.31291	0.1
255.15900	0.2
257.18896	0.2
259.20541	0.2
267.12198	0.2
269.17310	0.6
275.19977	2.3
291.19614	0.4
313.27304	0.2
324.18973	0.1
333.24170	0.3
334.24429	0.1
347.19342	0.1
349.23703	1.1
365.23291	0.4
478.33047	0.2
496.33899	0.2
503.37381	0.3
504.37619	2.4
505.38446	0.5
528.01788	0.1
529.35577	0.6
535.39948	0.2
543.36688	1.9
543.44366	0.2
623.43341	0.7
641.43927	0.2
676.45355	11.2
677.45776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.5
55.01862	1.0
65.03931	1.0
67.05485	1.4
68.99772	1.2
69.03408	1.3
74.09315	0.4
78.08221	0.4
79.05453	0.4
81.03391	0.8
81.07021	1.1
83.04967	1.7
85.02890	6.9
91.05463	1.9
93.03386	1.2
95.04957	3.3
95.08562	0.4
96.56044	0.4
97.02843	0.7
99.00800	0.8
105.03355	2.1
105.06992	1.1
107.04965	0.6
107.08596	0.5
109.02862	0.5
109.10143	0.7
111.04415	4.1
115.05434	0.7
119.04919	4.7
119.08571	0.9
121.02848	0.7
121.10140	0.8
123.04404	56.9
123.11689	6.9
124.04744	1.1
127.03880	1.1
129.05476	0.5
131.04916	0.4
133.06467	0.7
135.04398	1.2
137.05933	0.4
139.03874	100.0
140.04218	1.5
143.04918	2.2
145.10104	0.8
147.04384	20.5
147.11649	1.7
148.04698	0.5
149.09612	0.8
151.03871	3.0
151.07558	0.4
153.05443	0.9
157.05077	0.8
161.05954	8.0
163.03867	1.8
164.73944	0.3
165.05446	16.5
165.12653	0.4
167.07059	0.4
169.04977	1.5
171.11533	0.4
175.05983	0.4
177.05467	1.2
178.51772	0.4
179.07010	2.9
181.04915	0.9
189.05452	1.7
189.12717	5.4
203.06995	0.4
205.08530	0.7
207.06474	7.9
207.13768	6.6
225.14795	2.8
231.06509	0.4
241.88675	0.3
249.07529	1.2
257.33713	0.3
273.07648	1.9
289.07272	0.5
291.08572	55.6
292.08850	1.6
447.11172	1.5
503.08759	0.5
604.81738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01852	2.1
55.05503	11.2
57.03428	8.9
57.07044	1.0
59.04977	0.6
60.08142	1.7
61.02921	4.9
65.03911	1.2
67.05495	30.6
68.05813	1.1
69.03418	2.8
69.06704	1.1
69.07053	10.7
70.07393	0.8
71.04987	4.3
71.07370	1.1
71.62245	0.9
73.02882	2.1
76.43023	0.6
76.55995	0.7
77.39866	0.6
79.05480	25.7
81.03407	29.3
81.07046	42.8
82.03732	1.2
82.07379	1.2
83.04477	0.7
83.04968	10.6
83.08607	17.5
85.02891	15.2
85.06522	2.7
86.09685	11.7
91.03939	2.1
91.05467	28.1
92.05819	0.9
93.07031	30.8
94.07351	0.9
95.04954	13.7
95.08593	15.0
97.02900	3.8
97.06513	6.5
97.10147	3.2
98.30483	0.5
99.04452	1.5
99.08089	1.6
104.10747	1.3
105.07014	14.5
106.07335	1.0
107.04951	4.7
107.08578	17.0
109.06509	3.9
109.10133	6.1
111.04462	1.1
111.08074	7.6
113.06001	1.5
117.07000	6.7
119.04952	1.0
119.07767	1.2
119.08566	13.6
120.08926	1.1
120.45329	0.6
121.06494	2.3
121.10125	11.2
123.04404	0.7
123.08057	2.2
123.11689	3.2
124.99975	6.1
125.05930	1.0
125.09618	2.0
127.03924	1.3
127.07571	0.7
128.06198	0.6
129.05508	0.8
129.06981	6.4
131.04935	0.7
131.08542	10.0
133.06482	1.6
133.10104	14.2
134.10413	0.7
135.08060	1.9
135.11684	5.1
137.09621	2.3
139.03995	0.7
141.04637	0.6
142.07805	1.1
143.08556	1.5
145.10098	3.7
147.04349	1.2
147.08022	1.6
147.11659	10.2
148.11996	1.1
149.09604	4.5
149.13223	7.9
151.11191	1.6
155.08540	0.9
157.10107	8.9
159.11710	4.7
161.13223	0.7
163.11162	1.5
165.12761	1.8
171.11626	1.8
173.13322	0.8
175.11154	8.9
177.05537	0.6
177.12775	1.4
184.07314	31.6
185.07697	0.8
185.13252	0.8
187.14932	0.7
193.10400	1.0
193.12210	20.9
194.12564	0.9
195.13782	4.7
211.13240	28.6
212.13724	0.7
213.14856	0.8
249.14812	0.8
253.14400	2.4
267.15891	17.2
268.16251	1.1
269.17444	40.7
270.17816	1.4
281.17432	1.1
283.15500	0.7
285.16904	28.7
286.17386	0.9
341.25003	1.0
352.25613	1.4
369.23990	0.9
387.25143	1.4
412.21457	0.7
418.60367	0.7
433.29678	1.0
435.27448	2.2
443.28058	4.1
447.27429	1.1
459.27087	0.9
460.27628	1.3
461.28900	35.0
462.29327	1.3
478.28662	1.5
479.30023	100.0
480.30228	4.8
497.31570	1.0
623.34192	1.3
669.84442	0.7
676.38025	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	676.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03895	1.0
55.01811	1.3
55.05440	8.0
57.03366	8.1
57.03671	0.9
59.04951	0.8
61.02849	2.8
65.03876	1.0
67.05425	22.7
67.05817	1.7
69.03381	1.6
69.07050	7.9
71.04980	3.1
73.02858	1.5
79.05477	17.7
80.05767	0.6
81.03403	27.3
81.07044	35.3
82.03705	0.7
83.04968	7.6
83.08601	14.8
85.02887	13.9
85.06463	2.3
86.09629	0.7
89.21185	0.6
91.03851	2.0
91.05463	18.6
93.07027	21.6
95.04954	12.8
95.08599	9.3
97.02882	3.2
97.03321	0.7
97.06525	4.7
97.10073	2.0
99.08022	0.8
105.07018	12.4
106.42678	0.6
107.04867	2.5
107.08574	12.1
108.14621	0.6
109.06420	3.0
109.10059	2.3
111.04423	1.4
111.08055	6.7
112.48074	0.7
113.05881	2.0
115.05368	0.8
117.07000	3.6
119.08562	9.2
121.06420	2.0
121.10120	7.3
123.08040	1.5
123.11612	2.7
124.99917	1.1
128.06204	0.7
129.06984	4.6
131.08539	7.9
133.06392	0.7
133.10112	9.5
135.07951	0.9
135.11664	3.4
137.09550	0.8
142.07652	1.1
145.10010	1.2
147.07933	2.1
147.10648	0.7
147.11638	8.3
149.09608	3.3
149.13235	7.0
151.11057	0.7
157.10115	7.5
159.11685	4.0
163.11052	0.8
165.12633	1.9
175.11177	8.8
177.12646	1.9
184.07349	3.4
193.10385	0.9
193.12206	22.3
195.13826	4.7
211.13246	30.5
212.13640	0.8
213.14751	0.8
267.15851	11.3
269.17429	34.2
270.17697	1.2
285.16922	35.9
286.17139	1.7
350.15704	0.7
443.27560	0.8
461.28931	20.1
468.17987	1.2
469.14923	2.2
470.14996	5.9
471.15656	2.2
472.16580	1.2
479.29950	100.0
480.30005	4.0
481.15192	0.9
482.15268	3.4
483.15894	8.9
484.16638	8.3
485.17178	2.8
486.18173	0.9
496.17056	2.8
497.17938	11.4
498.18384	29.4
499.18439	7.0
500.19083	1.3
504.72470	0.8
510.19226	1.0
511.19357	1.6
512.20093	4.5
513.19641	1.1
516.19379	2.0
529.16669	1.2
542.17322	1.0
543.18347	1.7
556.18768	3.0
557.19733	4.1
558.20660	2.5
570.20673	1.0
617.22260	1.0
623.34076	1.6
644.23938	7.4
645.24719	7.2
646.24359	2.6
658.25665	5.9
659.25739	1.7
661.24518	1.8
676.26794	97.2
677.26691	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
53.10062	0.8
55.01862	2.6
55.05500	12.8
57.03431	12.0
57.07052	1.9
59.09764	0.7
59.96133	0.8
61.02912	3.8
65.03917	1.9
67.05494	42.2
69.03425	2.6
69.07056	15.0
69.44479	4.4
69.44909	3.9
71.04978	6.3
72.93554	0.8
73.02932	1.5
73.94221	0.8
79.05478	30.2
80.56155	1.0
81.03407	47.0
81.07043	53.8
82.07372	1.6
83.04970	14.5
83.08129	1.7
83.08605	26.0
85.02892	17.6
85.06507	3.4
89.60464	0.9
91.03950	1.5
91.04887	1.5
91.05463	25.4
91.05998	1.8
92.05849	0.9
93.07031	40.2
95.04953	22.3
95.08589	17.3
97.02867	4.2
97.06517	8.6
97.10162	3.8
99.04448	0.9
99.08100	2.1
105.07024	16.1
105.07677	1.7
106.28914	0.9
107.04955	5.0
107.08579	25.0
109.06505	4.9
109.10149	3.2
111.04442	1.8
111.08051	11.9
113.06014	2.4
115.05479	1.5
117.07015	5.2
119.08562	14.4
121.06495	1.7
121.10128	16.4
123.08044	2.4
123.11694	2.8
125.09633	1.5
127.07583	1.1
129.06984	5.4
131.08539	14.4
133.06499	2.2
133.10115	12.8
135.08012	1.5
135.11700	4.9
137.09488	0.9
142.07753	2.1
145.10062	1.3
147.08046	2.9
147.11659	11.5
149.09593	4.6
149.13239	19.2
149.14352	1.5
157.10095	10.1
159.11673	7.2
165.12756	3.3
175.11154	11.5
177.12733	2.1
184.07330	1.4
193.12209	31.2
195.13820	5.7
211.13257	42.3
213.14879	1.1
226.31772	0.9
249.14853	1.4
267.15866	30.2
268.16214	1.3
269.17432	63.2
270.17831	1.2
285.16922	37.7
303.72180	1.0
326.39200	1.0
435.27151	1.4
443.27591	1.0
446.18872	1.6
461.28922	69.1
462.29263	3.5
470.14728	1.3
471.15744	1.0
472.16876	2.2
472.64511	0.9
479.29962	100.0
480.30225	5.7
482.15152	1.0
483.16125	1.5
484.16797	3.5
485.17175	1.7
495.16483	1.5
496.16962	5.3
497.17508	4.3
498.18512	7.2
499.18707	2.1
514.17963	1.9
556.18860	6.8
557.18616	1.6
574.20880	1.1
618.23132	1.2
626.80981	1.0
644.23773	2.6
645.24579	1.9
646.22351	2.1
661.24847	1.1
662.25446	1.2
676.26733	63.4
677.26733	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	676.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48333	0.1
55.01853	0.2
55.05488	0.5
56.05023	0.4
57.03424	0.3
58.06610	0.4
60.08153	6.2
63.32047	0.1
66.07823	0.1
67.05490	0.9
68.05833	0.1
69.03401	0.5
69.07051	0.8
70.06568	0.3
70.20721	0.1
70.60011	0.4
70.60397	0.2
71.04964	0.1
71.07360	2.7
73.02888	0.2
79.05463	1.0
80.05804	0.2
81.03403	0.8
81.07037	1.7
82.07350	0.2
83.04942	0.4
83.08595	0.3
85.02889	0.5
85.06519	0.3
86.09689	31.0
87.10029	0.3
91.05479	1.0
93.07027	1.1
95.04941	0.8
95.08604	0.9
97.02856	0.3
97.06501	1.3
97.10130	0.2
98.21397	0.2
98.98444	3.0
99.04433	0.3
104.10724	2.6
105.03398	0.2
105.07021	0.8
106.07326	0.2
107.04944	0.4
107.08566	1.1
109.02881	0.3
109.06494	0.3
109.10129	0.8
110.10480	0.1
111.04412	0.2
111.08064	0.3
117.06992	0.2
117.47028	0.2
119.04949	0.2
119.08582	0.8
121.06483	0.3
121.10130	0.4
123.04411	0.9
123.08060	0.2
123.11661	0.2
124.99982	19.3
125.09617	0.4
127.03881	0.5
129.07010	0.2
131.08546	0.4
133.10106	0.6
135.04343	0.2
135.08040	0.2
135.11673	0.3
137.05972	0.3
137.09587	0.3
139.02885	0.2
139.03856	0.9
143.01051	0.2
145.10129	0.4
147.04395	0.6
147.08044	0.2
147.11687	0.5
149.05884	0.2
149.09586	0.2
153.01768	0.2
157.10069	0.2
159.11679	0.2
161.09554	0.2
163.03844	0.3
163.11165	0.3
165.05379	0.2
165.09138	0.2
166.02599	0.2
167.07047	0.9
173.13165	0.1
175.11150	0.3
177.05428	0.3
177.12737	0.2
184.07304	100.0
185.07639	1.0
191.03485	0.2
193.12215	0.2
211.09697	0.2
211.13179	0.2
217.08484	0.2
219.10141	0.2
236.28444	0.2
267.16058	0.3
268.16385	0.2
283.15500	0.2
287.05426	0.3
288.05698	0.2
289.06427	0.2
403.89017	0.2
443.27982	0.3
461.28763	1.7
478.29062	0.3
478.35507	0.2
479.29736	1.1
612.24921	0.2
676.34387	11.2
677.34485	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05516	6.2
57.03412	1.5
57.07049	1.4
61.02899	1.2
61.88510	1.0
65.03959	1.5
67.05495	12.0
69.03410	3.8
69.07063	5.7
71.04964	2.1
73.86739	1.2
79.05477	9.3
81.03407	6.9
81.07046	13.3
82.03731	1.9
82.07361	1.4
83.04969	5.3
83.08606	3.5
85.02882	3.4
85.06516	3.7
86.09689	4.7
91.05460	9.5
92.05804	1.2
93.06514	1.8
93.07030	13.0
94.06550	6.0
95.04950	7.0
95.07323	4.6
95.08594	7.7
96.08111	9.4
97.02881	2.5
97.06532	6.3
97.10132	3.4
103.05441	1.1
105.07026	8.0
106.06536	1.4
106.07324	1.2
107.04924	2.4
107.08568	10.1
108.04484	1.4
108.08105	9.4
109.02850	1.9
109.06536	2.3
109.10144	7.1
110.09667	16.0
110.10392	2.0
111.04436	1.4
111.08065	2.2
117.06986	2.5
119.04918	1.5
119.08555	5.4
120.04449	4.7
120.08093	10.6
121.06502	2.6
121.10119	5.2
122.06024	5.6
123.04414	4.2
123.08075	1.9
123.11677	2.2
124.07585	6.0
125.00013	3.1
125.09612	4.2
127.03914	2.7
129.05453	1.6
131.08536	3.1
131.59926	1.0
132.08905	1.3
133.10098	5.2
134.05971	2.3
135.08029	2.0
135.11674	2.9
136.07544	9.9
137.09615	2.0
137.13139	1.4
138.09111	18.6
139.03900	5.3
144.04390	2.4
145.06445	1.8
145.10095	2.2
146.05971	3.7
147.04382	3.8
148.07545	4.7
149.09564	1.6
149.13234	1.9
150.09117	1.6
151.03848	1.3
151.11191	2.1
152.07039	3.3
153.01797	2.8
157.10118	2.5
159.11681	2.4
160.03909	3.0
162.05472	3.2
163.03908	2.9
163.11226	2.4
164.07068	2.5
165.09061	5.0
166.08589	19.9
172.03923	12.8
173.04541	1.2
173.05984	1.3
173.09552	1.1
174.05489	1.3
175.03908	1.5
175.11159	2.3
176.07010	2.4
177.05476	3.1
177.09062	1.3
181.12190	1.6
184.07292	15.6
185.07648	2.4
190.04959	12.2
191.03334	1.1
193.12288	1.3
194.08112	2.2
196.09651	1.6
199.12314	2.4
203.14357	1.2
204.06548	29.0
209.10722	1.7
211.08600	2.8
212.09352	2.7
213.10272	2.1
223.08586	1.9
223.12288	2.1
223.16989	1.5
224.09433	1.8
225.10258	9.0
226.10963	1.8
227.11662	8.5
236.09439	2.0
237.10175	8.9
238.10994	3.1
239.08090	1.6
239.11668	5.3
240.12538	1.6
241.09692	3.3
241.13348	4.5
249.10202	8.0
250.10890	3.3
251.08141	3.6
251.11804	7.8
252.08862	2.5
252.12486	1.4
253.09688	8.8
255.11217	2.9
261.10236	2.5
263.11761	4.1
264.08826	2.5
265.09610	9.3
266.10492	2.9
267.11267	12.3
267.15814	2.4
269.12830	14.5
269.17319	1.5
271.10797	10.4
273.07651	2.3
273.12509	5.7
277.09653	3.1
278.10416	3.7
279.07648	3.7
279.11240	13.8
281.09290	2.8
281.12848	3.1
282.10059	2.4
283.10736	12.5
283.15109	1.5
284.11487	3.7
285.12244	5.0
286.13217	1.5
287.13837	18.3
289.09613	6.0
291.11237	4.6
293.09140	4.7
293.12823	4.2
294.09940	6.3
295.10739	4.9
296.11581	3.6
297.08908	2.2
297.12308	9.5
299.10248	3.4
299.13968	4.6
300.11136	3.7
306.09802	1.8
307.10748	2.9
308.11526	2.1
309.12292	5.9
311.10226	7.2
311.13910	3.1
312.10968	3.7
312.14832	2.1
313.11896	4.2
314.12555	5.3
315.13458	8.0
316.14526	1.5
317.09360	1.6
321.12106	1.6
323.10202	5.0
323.13617	2.5
324.11063	3.7
325.11774	16.4
326.12762	7.4
327.13321	13.7
328.10571	2.1
328.14178	2.1
335.10181	10.0
339.13339	64.8
340.10370	2.0
340.14001	1.7
342.12405	3.7
343.12906	7.7
353.11212	1.7
354.12024	8.3
355.12775	18.7
356.13681	4.1
357.14429	11.2
358.14981	2.7
367.12866	35.9
368.13733	1.3
370.15311	4.0
372.16910	1.6
382.11804	2.1
384.13043	2.6
385.13974	1.7
385.23761	1.8
386.14520	2.3
386.18710	2.7
386.23636	2.6
390.17844	2.6
398.14960	11.2
399.15695	19.4
404.15625	3.0
414.18100	3.6
416.15912	11.1
420.19061	5.0
428.15988	3.0
430.17542	3.6
440.15955	4.2
446.17084	10.3
447.17407	2.8
448.18048	2.2
448.52722	1.5
458.11121	2.0
458.17062	23.5
459.27310	5.5
459.33603	1.4
460.18256	3.1
460.27652	15.2
461.28937	1.5
462.20139	1.9
464.22229	1.5
465.18845	2.0
477.28766	5.7
477.34512	1.5
478.19885	3.7
478.28650	18.3
479.20392	3.6
480.21225	9.8
488.18304	7.2
490.19800	7.7
492.21051	7.3
504.20923	1.5
520.20740	92.6
521.21332	22.0
522.21527	2.2
538.21802	4.4
552.23334	70.6
553.24030	11.8
567.26392	2.9
569.23596	3.9
583.25116	1.8
593.23615	4.5
611.24927	100.0
612.25275	7.8
626.24390	4.2
643.27258	10.0
675.34515	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	675.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.3
53.03941	0.3
55.01872	0.4
55.05489	1.0
57.03421	0.3
57.07042	0.4
65.03939	0.6
67.05481	2.2
69.03414	1.0
69.07048	2.6
69.96965	1.4
69.97395	0.6
79.01845	0.4
79.05480	2.3
81.03404	2.0
81.07040	2.1
83.04949	1.0
85.06536	0.7
86.09683	0.6
91.05458	2.0
93.07027	3.0
94.06534	1.4
95.04958	1.5
95.07350	0.8
95.08582	1.6
96.08119	2.3
97.02884	0.5
97.06516	10.8
97.10203	0.4
99.04438	1.0
105.07007	1.7
106.06524	0.5
107.04929	1.8
107.08581	2.8
108.08109	3.0
109.02869	1.0
109.06567	0.4
109.10146	1.4
110.09663	4.2
111.00805	0.6
111.04442	0.9
111.08086	0.6
116.04911	0.4
117.06938	0.4
119.04923	0.8
119.08557	1.4
120.04456	1.2
120.05223	0.4
120.08069	3.7
121.02872	0.4
121.06519	0.9
121.10130	1.5
122.06004	1.0
122.09695	0.7
123.04414	6.0
123.08099	0.4
123.11691	0.8
124.07550	1.7
125.09566	0.6
127.03892	4.6
133.10110	1.4
134.05998	0.6
135.04411	1.9
135.08038	0.6
135.11705	0.9
136.07541	3.9
137.05998	0.9
137.09554	0.5
138.09114	7.1
139.03867	4.1
139.07538	0.5
143.08495	0.5
144.04463	0.9
145.10095	1.3
146.06009	0.9
147.04379	3.4
147.11674	0.8
148.04813	0.5
148.07550	1.3
149.02335	1.0
149.09621	1.0
150.09145	0.8
151.03883	1.1
151.07634	0.4
152.07036	0.9
152.10634	0.6
153.01791	2.1
159.11652	0.5
160.03957	0.5
161.09583	0.5
162.05548	1.2
163.03897	4.2
163.11139	1.7
165.05457	0.8
165.09082	1.0
166.08617	7.4
167.03355	0.6
171.02876	0.9
171.11732	0.5
172.03920	7.1
177.05464	0.9
179.03349	0.4
180.10164	0.5
181.04961	0.6
181.12329	0.5
182.11743	0.6
184.07329	1.4
189.05466	0.5
190.04951	2.1
191.03366	1.4
191.10677	1.2
194.08107	1.1
197.06160	0.5
197.10762	0.8
201.05621	0.4
201.09047	1.0
203.03346	0.7
203.94141	0.3
204.06535	15.0
212.09462	0.5
215.07034	1.3
217.08649	0.4
219.10141	1.1
221.10722	0.4
223.12392	0.8
225.10130	2.3
226.10916	0.6
227.09599	0.6
227.11482	2.0
229.04945	0.7
233.04491	0.6
235.08644	0.6
236.09386	1.3
237.10265	2.7
238.10957	0.8
239.08128	0.9
239.11720	1.7
241.08492	0.4
241.09547	0.4
241.13289	0.4
243.06514	1.2
245.04303	0.6
247.06070	0.7
249.10202	2.7
250.10983	0.9
251.05922	0.4
251.08076	2.1
251.11768	2.6
252.09024	0.5
252.12495	0.9
253.09727	3.1
253.12056	0.4
253.13403	0.4
254.10458	0.5
255.11351	0.5
257.04404	1.8
257.12961	0.4
259.09683	4.5
260.09897	0.4
261.10095	1.0
263.11859	2.0
265.09689	4.0
266.10416	1.1
267.08551	0.5
267.11172	2.7
268.12088	0.6
269.12796	1.8
271.06097	1.0
271.10715	2.8
273.07602	0.5
273.12320	0.7
275.05527	1.8
277.09723	1.1
278.10526	1.6
279.07721	1.7
279.11295	4.5
280.12018	1.4
281.09210	1.2
281.12662	1.2
282.10001	0.7
283.10742	4.0
284.11630	1.0
285.12393	1.0
287.05496	1.9
287.13867	5.4
288.06049	1.0
289.06973	2.6
289.09558	1.8
291.08521	1.8
291.11441	0.7
292.11978	0.5
293.09177	1.7
293.12851	2.6
294.09967	2.4
295.10867	2.3
296.11676	1.1
297.12280	1.9
298.09604	0.4
299.10196	1.4
299.13776	0.8
303.08716	0.6
306.09995	0.5
307.10822	1.4
308.11484	0.4
309.12131	1.7
311.10260	3.4
311.13898	1.4
312.11017	1.4
313.11725	1.6
314.12656	1.2
315.13333	0.6
317.09311	0.4
321.12125	0.6
323.10263	1.6
323.13846	0.8
324.10974	1.0
325.11786	2.5
326.12454	3.0
327.13391	5.8
328.14212	0.8
329.15192	0.6
330.16132	0.5
331.08090	0.5
335.10172	3.1
337.11438	0.8
339.13330	24.8
340.10333	0.6
340.14035	0.7
343.12186	1.5
352.10638	0.5
353.11560	0.9
353.15900	0.9
354.12057	2.6
355.12827	8.6
355.17236	0.6
356.13873	1.0
357.14401	5.5
358.15332	0.5
363.00644	0.4
367.12796	14.9
370.15515	0.6
371.12393	1.3
371.16409	0.8
372.12759	0.6
372.17130	0.6
373.13669	0.5
376.16522	0.5
384.13275	0.9
385.13333	1.3
386.14670	1.4
386.18924	0.6
387.15485	1.4
390.18253	0.9
397.12677	0.9
398.14804	2.4
399.15579	7.3
400.16187	0.9
404.16208	1.2
408.19504	0.4
409.09250	1.5
414.18607	0.7
416.15793	2.1
422.16776	0.4
427.09799	1.1
430.17426	0.4
432.19000	0.5
440.15881	0.9
446.17102	1.6
449.97513	0.4
451.20953	0.6
452.21851	1.0
458.17010	3.3
460.18863	0.9
474.20251	0.5
477.35745	0.6
478.19476	0.8
479.20532	1.9
487.13489	0.5
488.17941	0.7
490.19519	2.5
492.21442	2.8
495.36853	0.6
502.20004	0.5
505.14340	1.9
507.16617	0.4
520.20728	7.3
552.23328	100.0
553.23639	5.3
569.23340	0.6
573.93195	0.6
593.24060	0.9
611.24902	14.7
612.24817	0.7
643.27539	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	675.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25023	0.2
52.29724	0.2
54.38997	0.2
67.05456	0.5
69.07037	0.2
69.83086	0.9
69.83518	0.9
79.05437	0.4
81.03381	0.5
81.06991	0.9
91.05422	0.5
93.06999	0.4
95.04884	0.3
97.06488	0.3
107.08562	0.4
112.81083	0.2
112.91195	0.3
133.10127	0.3
137.61725	0.2
158.30006	0.2
184.07347	0.3
201.19672	0.2
211.13129	0.4
269.17426	0.7
285.17047	0.3
358.73486	0.3
439.13547	0.5
444.18140	0.5
445.18616	0.5
454.16415	0.7
455.13477	0.9
457.14273	0.3
457.19476	0.5
467.12888	0.7
467.18341	0.4
468.13513	1.9
469.14706	6.5
470.15414	1.7
471.16611	1.1
472.17715	0.3
479.17093	0.4
479.29874	1.4
480.14395	0.4
481.14688	2.4
482.15726	8.6
483.16522	8.6
484.17307	2.2
485.18036	0.8
487.16162	0.6
495.16702	2.8
496.17343	5.5
497.18158	33.8
498.18704	5.7
499.20306	0.5
500.16980	0.3
501.17670	0.6
510.18985	1.7
511.19763	5.0
512.20142	1.7
513.17456	0.5
515.19366	2.1
516.20117	0.3
523.16559	0.4
524.18146	0.3
525.20935	0.3
528.15985	1.6
529.17267	0.4
538.20422	1.1
539.22546	0.3
541.17474	0.6
542.17725	1.7
543.18213	0.3
555.18500	3.0
556.19305	3.2
557.20276	3.2
558.20239	0.4
569.19806	0.8
570.21448	0.4
571.21790	1.0
573.23151	0.5
574.20331	0.3
615.43481	0.3
616.21484	1.5
617.22559	0.8
629.22644	1.0
630.23328	0.5
643.23859	7.5
644.24579	7.3
645.24298	1.5
657.25623	6.2
658.26050	0.8
660.23535	1.2
675.26495	100.0
676.26764	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	675.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06712	0.3
55.05499	0.6
57.03421	0.6
65.66299	0.3
67.05501	1.0
69.03390	0.4
69.07041	0.7
69.36771	2.4
69.37179	0.7
70.99077	0.3
79.05467	1.2
81.03396	0.7
81.07047	1.8
83.08604	0.7
85.02897	0.5
91.05462	0.9
93.07037	1.3
95.04970	0.9
95.08585	0.9
97.06472	0.4
105.06980	0.8
107.08586	0.5
109.04730	0.3
109.06516	0.3
109.10135	0.7
111.75114	0.3
116.81963	0.3
119.08594	0.6
121.10123	0.5
127.03897	0.4
128.22012	0.3
131.08583	0.5
133.10103	0.7
147.04373	0.4
147.11697	0.8
184.07346	0.7
193.12274	0.8
211.13252	0.3
219.46199	0.3
234.15445	0.3
269.17484	1.0
285.16956	0.8
399.14795	0.5
400.15140	0.4
413.16226	0.7
427.14087	0.4
428.18970	0.5
429.15762	0.9
430.16556	0.9
441.19394	1.1
443.17343	1.2
444.18127	1.5
445.18649	2.1
453.15134	0.6
454.16290	0.4
455.12958	0.6
456.13483	0.6
457.14771	1.6
457.19727	0.6
459.16382	0.4
460.28040	0.5
461.28647	0.4
467.12643	0.6
467.17871	1.0
468.13593	0.4
468.18457	0.7
469.15051	2.1
469.19766	0.5
470.15448	1.8
471.16306	3.2
472.16992	1.9
475.19846	0.4
478.28842	1.0
479.29880	1.2
480.14432	1.4
481.14810	2.7
482.15720	3.2
483.16473	4.6
484.17395	1.1
485.18381	4.2
486.18372	0.5
493.14737	0.4
495.16608	9.0
496.17432	4.5
497.18158	10.2
497.25183	0.7
498.19101	2.4
499.15683	0.5
499.19672	0.6
500.17148	0.6
502.18613	0.5
510.18805	0.8
511.19781	1.2
513.17560	2.2
514.18616	0.6
515.19128	1.1
523.16376	0.4
527.19501	0.4
529.21429	0.5
531.18420	0.6
537.19250	0.4
538.20599	0.5
542.17657	0.5
555.18610	10.8
556.18878	1.7
557.19519	0.7
565.03644	0.4
567.18616	0.5
573.24005	3.2
583.21625	0.7
585.22491	0.5
596.21375	0.5
601.22992	0.5
616.21191	0.4
617.22351	2.7
618.07269	0.4
627.21509	0.5
643.23981	5.1
644.24774	2.1
645.21466	2.3
646.23743	0.5
657.25421	1.0
660.24243	5.4
661.24005	0.5
675.26508	100.0
676.26794	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	674.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01866	0.2
55.05503	1.3
56.05026	0.6
57.07067	0.4
58.06606	0.5
60.08155	6.4
67.05494	2.5
69.03400	0.3
69.07053	0.5
71.07365	3.1
71.63139	0.3
79.05485	1.3
81.03404	0.7
81.04277	0.2
81.07046	2.1
82.07391	0.4
83.04971	0.5
83.08610	0.7
85.06492	0.2
86.09694	28.9
91.05470	1.4
93.07035	1.5
95.04942	0.7
95.08590	1.2
97.06526	0.5
97.10153	0.4
98.98458	3.2
99.08037	0.3
104.10735	2.0
105.07008	0.8
107.04918	0.3
107.08578	0.8
109.10158	0.8
116.92575	0.3
117.06974	0.4
119.08583	0.6
121.10101	0.6
124.99991	20.4
129.07016	0.3
130.14180	0.2
131.08545	0.6
133.10104	0.8
135.11687	0.5
145.10107	0.5
147.11746	0.3
149.13274	0.2
157.10114	0.4
159.11673	0.3
163.11237	0.4
171.11714	0.2
184.07318	100.0
185.07706	0.6
233.20541	0.2
237.01735	0.2
263.23499	0.2
310.67221	0.2
311.25729	0.3
444.85928	0.2
503.37469	1.1
533.27271	0.2
533.38348	0.9
656.41620	0.4
674.43823	9.0
674.55286	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01863	1.5
55.05512	5.5
57.03426	3.5
57.07073	5.4
58.07418	0.9
61.02915	3.3
65.03947	0.9
67.05493	13.3
69.03423	4.2
69.07051	6.9
70.12745	2.8
71.04974	2.5
71.08619	4.4
72.08964	1.0
79.05482	12.7
81.03407	11.6
81.03849	1.3
81.07043	16.0
82.07395	1.1
83.04977	4.2
83.08621	3.8
85.02902	4.5
85.06528	1.1
85.10178	2.0
89.06038	1.0
91.03955	2.4
91.05469	12.5
93.07036	10.6
95.04980	4.1
95.08601	9.0
96.08958	0.8
96.25948	0.8
97.02896	4.7
97.06519	2.9
97.10172	3.1
99.04461	2.4
99.08082	1.3
105.07010	9.4
107.04955	2.2
107.08561	8.1
109.02865	1.5
109.06531	2.5
109.10137	5.9
111.08117	1.1
117.07026	4.5
119.08562	5.2
121.06521	1.9
121.10137	3.7
121.75819	1.0
123.04453	0.9
123.08021	1.0
123.11707	1.8
125.09659	1.0
127.03926	2.6
128.06146	0.9
129.05493	1.9
129.07016	3.4
131.08554	5.7
133.08577	0.9
133.10135	6.3
135.08061	1.6
135.11670	5.0
141.06981	1.5
142.07814	1.4
143.08566	4.2
145.06525	0.9
145.10092	4.8
147.11702	2.8
149.13205	1.1
151.11194	1.4
155.08582	2.3
157.10161	3.4
159.11603	4.5
161.13249	2.3
163.05986	1.1
163.11215	1.5
169.10146	2.9
171.11700	3.2
173.04428	6.0
173.13272	2.5
179.14377	2.1
181.02815	0.8
181.10233	1.8
183.11743	2.7
184.07330	4.0
185.13295	2.3
185.62294	0.9
187.11211	1.0
187.14798	0.9
195.11798	1.3
197.13307	2.0
199.14807	0.9
201.12881	1.0
213.16370	0.8
227.20091	3.3
239.23680	1.6
240.24020	1.3
241.24347	1.0
253.14435	0.9
255.15933	1.0
275.20129	1.5
277.21722	1.1
313.27380	5.4
314.27557	5.8
315.28122	3.7
316.28094	1.0
331.28635	1.2
332.28799	2.3
333.29193	1.7
370.10660	2.0
384.12326	3.1
385.12927	13.6
386.13522	7.6
397.13049	2.0
398.13702	6.7
399.14456	22.5
399.19675	1.6
400.15265	63.2
401.15564	8.6
411.14511	2.0
412.15350	10.8
413.16107	18.5
414.16742	27.5
415.17157	5.7
418.17792	1.5
421.31165	1.1
425.16318	2.3
426.17090	2.3
427.18216	11.5
428.18527	18.0
429.19217	50.7
430.19547	4.9
439.18237	0.9
440.18970	1.0
441.14648	1.5
441.19696	2.3
442.15878	6.8
443.12927	1.9
444.14108	13.6
446.17307	1.6
447.20313	2.2
454.16217	1.1
455.17032	17.6
456.17743	7.8
457.13956	1.3
457.19797	4.7
458.14948	4.9
459.16235	5.6
466.12552	1.3
467.13290	2.0
468.18225	1.6
469.18927	1.8
470.20294	1.4
472.17496	6.9
473.18188	23.7
474.18579	1.8
480.14581	1.0
481.15314	2.8
482.15399	3.1
483.16397	14.2
483.22281	1.0
484.16022	1.6
484.21851	1.6
487.15863	4.5
488.16223	1.1
495.17059	1.6
495.34750	1.8
496.17096	1.7
497.18085	2.0
499.16144	2.4
500.17078	1.1
501.17325	12.5
502.18390	4.4
503.37601	1.6
509.14517	1.3
510.14713	2.1
511.20105	2.3
511.34427	1.1
513.14606	1.1
513.35608	17.6
514.20490	1.9
515.36902	1.0
516.23621	12.5
523.15802	2.6
524.16272	2.0
525.35211	1.0
527.15271	8.2
528.16852	1.4
531.37073	2.0
539.19232	12.4
540.19489	21.6
541.19666	3.5
542.20581	1.9
543.22418	13.4
544.14630	1.9
544.23102	40.1
545.23065	3.3
554.21167	0.9
555.18951	3.5
555.37311	1.1
559.21747	1.1
560.22595	15.2
569.20398	2.2
570.20764	5.3
571.21814	67.8
572.22107	42.8
573.21375	4.9
575.25342	4.1
577.13879	1.4
577.37604	3.8
587.21320	7.2
588.22083	100.0
589.22394	8.4
598.20593	1.8
599.20270	1.2
601.22717	3.5
603.24481	7.2
615.20813	8.6
616.20966	16.7
617.21216	1.8
619.23950	4.2
621.37677	1.2
629.22302	18.1
630.22546	1.4
631.23724	9.6
647.23474	9.8
657.21875	23.1
657.39966	1.7
658.22211	2.5
675.22894	28.8
675.40735	12.4
676.22931	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	674.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
53.48951	1.1
54.98158	1.2
55.01857	5.6
55.05501	20.9
57.03427	13.0
57.07046	2.1
59.05002	1.7
61.02918	2.7
65.03923	3.1
67.05495	37.1
69.03416	14.0
69.07056	11.9
69.96012	5.8
71.04984	7.7
73.02883	1.8
74.75529	1.1
79.05479	33.2
81.03405	100.0
81.07041	44.0
82.03735	1.6
82.07447	1.4
83.04967	23.8
83.08131	2.1
83.08605	30.1
84.08176	1.2
85.02893	27.0
85.06533	4.6
86.09679	3.8
91.05465	40.3
91.55895	1.2
93.07026	27.9
94.07353	1.4
95.04950	34.0
95.08594	19.9
97.02877	16.0
97.06521	18.2
97.10164	8.9
99.04428	5.2
99.08094	1.6
101.06046	1.3
104.10696	1.8
105.03343	1.6
105.07014	31.8
107.04949	10.9
107.08575	17.9
109.02860	11.8
109.06496	7.1
109.10146	9.7
111.04420	8.5
111.08074	14.2
111.67941	1.3
113.06007	3.3
115.05444	2.2
117.06985	5.9
119.04904	2.4
119.08555	24.5
119.09342	2.2
121.06512	5.3
121.10120	15.5
123.04403	13.9
123.08071	6.7
123.11711	6.1
125.06029	1.8
125.09621	8.3
127.03909	11.6
127.07546	2.0
129.05458	3.9
129.06985	16.9
130.06526	2.3
131.04929	2.7
131.08554	15.1
133.06468	5.5
133.10115	18.2
135.04411	2.4
135.08055	4.0
135.11673	4.3
137.02319	3.4
137.05977	2.0
137.09587	3.1
137.13144	2.0
139.03847	6.8
139.11162	1.6
142.07764	2.7
143.08543	2.9
145.10107	9.5
147.04442	7.0
147.08028	3.8
147.11649	22.0
148.04739	1.5
148.11868	1.3
149.05902	1.3
149.09621	9.8
149.13235	2.9
150.09967	1.6
151.03877	4.5
151.07486	8.5
151.11180	2.2
152.04245	1.5
153.01808	2.6
153.05429	1.5
153.12772	3.1
155.08450	1.7
156.10219	1.4
157.10109	15.8
159.08057	2.3
159.11699	2.8
161.05934	2.9
161.09579	2.5
161.13226	2.4
163.03926	2.9
163.11125	7.8
165.05444	1.6
165.09079	9.0
165.12743	5.1
166.09489	1.6
173.04472	1.9
173.09554	1.5
175.11156	21.0
177.05417	2.1
177.12607	2.0
181.04829	1.5
181.12224	3.7
184.07329	8.9
189.05400	1.5
189.09221	2.3
189.11119	2.7
189.12712	1.3
191.10675	4.7
193.12221	53.4
201.09084	2.1
205.12126	1.5
209.11627	1.7
211.13264	69.3
212.13789	1.6
217.04964	1.5
219.10176	4.7
227.12761	4.8
229.14311	2.9
233.15247	2.1
245.04472	4.1
245.15324	1.7
246.04938	1.3
249.14909	1.9
257.04474	1.8
267.15866	41.1
269.17450	5.4
273.14709	2.0
277.09869	1.3
283.15277	6.2
285.16907	55.7
287.05435	30.0
288.05792	19.6
289.06305	1.6
303.05167	3.4
304.05392	2.8
337.16486	2.4
355.17426	2.9
367.22723	2.9
383.11124	2.4
384.11481	2.4
385.23816	4.7
403.24826	2.2
411.20071	4.8
425.08789	3.1
426.08810	5.6
427.09726	1.4
429.21213	16.2
430.21085	1.4
433.25757	1.9
458.33359	2.4
459.27197	36.3
460.27692	1.4
465.20999	1.5
476.34174	1.5
477.28452	66.4
477.35312	3.2
478.28806	1.6
495.29495	44.0
496.29926	1.6
555.46008	1.5
584.15887	1.7
603.31445	3.7
621.32538	10.6
639.33691	36.6
640.33600	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	674.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
55.05260	0.5
55.05505	8.8
57.03428	7.9
57.07062	1.4
59.04990	1.3
61.02919	2.4
62.51214	0.4
65.03938	1.3
67.05496	22.6
69.03421	1.5
69.06714	0.7
69.07057	8.4
69.44566	3.8
70.06572	1.8
71.01321	0.7
71.04985	2.7
73.02908	1.1
79.05483	16.8
81.03409	6.4
81.07047	33.3
83.01318	2.8
83.04971	6.1
83.08604	8.9
83.71086	0.4
85.02895	3.8
85.06535	1.7
86.09710	0.5
88.07622	1.7
91.03932	1.1
91.05470	10.3
93.07030	28.7
95.04961	4.9
95.08601	9.4
95.09216	0.5
97.02876	2.4
97.06513	4.9
97.10166	0.8
99.04433	1.4
99.08080	1.0
102.09149	1.1
103.05413	0.4
105.04493	0.5
105.07012	5.2
107.04950	3.8
107.07845	0.9
107.08581	17.4
109.06514	3.3
109.10173	2.4
110.91209	0.4
111.04430	1.1
111.08068	3.4
111.11692	0.5
113.05981	0.8
117.06996	5.8
119.08566	4.8
121.06480	1.8
121.10126	9.4
123.04420	0.4
123.08041	3.5
123.11711	1.1
125.05994	0.6
125.09575	1.2
127.03887	0.5
129.06992	0.6
130.07779	0.7
131.08553	4.8
133.10101	4.7
135.08037	1.4
135.11668	8.6
137.09584	0.9
145.06436	0.5
145.10098	6.8
147.08080	0.7
147.11665	1.7
149.02336	5.5
149.09677	0.5
149.13228	10.8
151.11168	1.1
153.12706	1.1
155.08580	0.5
159.11703	5.0
163.11163	12.7
173.09686	1.1
175.11186	0.4
177.12737	2.0
181.12233	1.6
184.07298	1.6
191.10677	1.4
193.04953	3.3
195.13754	4.0
198.16145	0.4
203.82819	0.4
209.11700	1.9
211.13379	0.5
213.14972	0.6
227.12769	3.6
228.23180	2.9
237.07521	0.7
253.14281	0.5
265.14310	1.0
267.15891	1.2
269.17438	49.2
270.17819	0.9
272.25781	1.4
274.60175	0.4
281.17535	0.5
283.15356	32.9
284.15796	0.9
341.06219	0.7
355.07120	0.5
359.07440	0.6
384.02676	0.4
385.09119	2.0
403.10284	0.7
429.11676	2.1
459.27209	3.6
473.13977	0.4
477.28427	100.0
478.28558	3.9
482.16107	1.0
497.18149	2.0
576.36053	0.7
657.26831	0.5
674.35284	10.1
675.26416	7.1
675.36658	0.9
676.06573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19051	0.6
52.71749	0.5
55.01871	3.7
55.05260	0.8
55.05501	13.2
57.03428	12.8
57.07061	1.7
59.04981	1.7
61.02920	4.9
65.03916	1.1
67.05493	25.8
69.03417	3.4
69.07056	7.9
69.54160	4.8
70.06571	0.9
71.01334	0.9
71.04984	4.1
73.02904	1.5
79.05480	23.0
81.03403	53.2
81.07045	33.2
83.01320	2.5
83.04962	9.9
83.08604	17.8
85.02892	12.7
85.06519	2.6
86.09730	0.7
88.07609	1.0
91.03934	2.1
91.05463	22.8
91.25655	0.5
93.07025	26.5
95.04951	17.9
95.08588	12.1
97.02869	4.9
97.06508	6.2
97.10149	3.8
99.04431	2.1
99.08065	1.2
105.06303	0.8
105.07014	14.5
107.04945	7.9
107.08572	14.3
109.06490	5.8
109.10137	4.4
111.04422	2.6
111.08064	6.4
113.05966	0.9
115.05427	1.8
116.31375	0.6
117.06989	6.0
119.08553	12.9
119.09345	1.0
121.06496	4.2
121.10127	9.4
123.04394	0.8
123.08067	4.4
123.11695	2.4
125.06004	1.5
125.09604	2.4
127.07517	0.6
129.06993	7.3
131.08551	10.4
133.06464	2.5
133.10103	10.8
135.08047	1.8
135.11652	8.1
137.09607	1.3
142.07719	1.3
143.08540	1.0
145.06473	3.0
145.10101	7.6
147.08025	3.7
147.11678	6.4
149.02316	2.0
149.09596	3.7
149.13223	4.8
151.11119	0.6
153.09021	0.9
153.12785	1.0
155.08542	0.9
157.10112	7.6
159.07991	0.8
159.11627	3.1
161.09529	0.7
163.11172	11.1
165.12755	1.6
169.10071	0.7
171.11652	0.8
173.09622	1.4
175.11156	7.0
177.12675	1.3
181.12267	1.0
184.07292	1.1
189.11198	0.9
191.10680	1.2
193.04982	1.4
193.12212	17.7
195.12032	1.0
195.13765	5.0
209.11711	2.2
211.13237	9.8
213.12848	0.6
213.14946	0.7
227.12671	1.3
228.23206	2.4
249.14752	1.3
255.13974	1.0
267.15872	63.2
268.16129	1.1
269.14514	0.8
269.17438	23.4
273.14841	1.8
283.15347	36.7
285.16904	11.5
339.23215	0.9
341.20932	0.7
349.21570	1.5
367.22556	4.9
385.23682	5.7
403.25049	1.3
405.23828	0.7
415.24805	1.0
415.37372	0.6
429.11954	1.0
433.25977	6.8
441.26392	3.2
459.27335	34.4
477.28409	100.0
478.28708	2.7
519.29242	1.2
674.35211	5.0
675.26215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01859	3.1
55.05502	13.2
57.03434	10.4
58.29729	1.0
59.04985	1.2
60.08167	2.1
61.02902	2.5
65.03923	1.8
67.05499	31.9
68.05822	1.0
69.03430	4.7
69.07056	11.3
71.04987	4.9
71.50967	1.7
72.07653	1.0
73.06501	0.9
79.05484	32.2
81.03410	47.0
81.06565	2.3
81.07050	39.5
83.04969	19.4
83.08611	14.7
85.02887	11.5
85.06544	3.0
86.09702	12.8
86.98376	1.1
87.04488	1.0
91.03930	1.2
91.05470	47.3
92.05805	1.5
93.07033	26.0
95.04957	23.2
95.08599	14.5
96.63729	1.0
97.02870	4.9
97.06511	6.5
97.10145	5.0
99.08070	2.2
103.05483	1.7
105.06302	1.6
105.07017	30.8
107.04938	14.7
107.08596	11.6
109.02892	1.8
109.06533	7.9
109.10126	4.9
111.04437	2.1
111.08058	7.0
113.05966	1.9
115.05444	1.8
117.07024	4.8
119.04884	1.1
119.07774	1.9
119.08573	23.5
119.09436	1.1
121.06508	2.9
121.10130	10.3
122.10505	1.3
123.04418	3.9
123.08044	2.7
123.11656	2.8
125.00000	7.4
125.09635	3.3
127.03880	1.9
127.07538	1.7
128.06210	1.4
129.06976	14.4
131.08554	14.6
133.06494	2.8
133.10115	25.9
135.08035	1.9
135.11697	3.1
137.06027	2.1
137.09615	1.9
139.03879	1.6
142.07748	3.3
145.06534	1.0
145.10104	4.5
146.10420	1.1
147.04367	2.5
147.08034	3.7
147.11665	17.7
149.09602	8.2
151.03902	2.9
151.07471	1.0
151.11118	1.4
155.08412	1.0
157.10110	19.8
159.11751	1.9
163.03903	1.2
163.11198	4.4
165.12704	2.5
171.11603	2.3
172.03874	2.7
173.04346	1.3
175.11166	14.8
177.05489	1.0
184.07321	34.9
184.08957	1.7
193.12210	30.3
196.03470	1.0
204.06537	3.9
205.06830	1.4
211.13260	30.4
224.88057	1.1
227.12779	1.6
242.10435	1.5
243.10738	1.4
245.04468	4.5
249.14876	1.3
256.12082	2.3
257.12766	2.6
258.13477	1.3
267.15884	100.0
268.16104	1.8
269.17453	1.6
273.27750	1.0
275.20038	2.2
276.20364	2.8
283.15311	1.8
285.16922	18.2
286.12802	1.5
302.12244	1.2
317.14883	17.5
318.15189	12.7
326.12018	1.0
350.24207	1.3
426.09061	2.1
441.26401	2.8
459.27390	83.7
460.27979	1.3
477.28442	68.3
494.28305	1.1
495.29327	1.3
525.34839	1.1
526.14307	1.2
577.76306	1.1
614.26556	1.2
642.26160	1.8
674.19232	1.7
674.36725	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	674.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.3
56.05020	0.5
57.03413	0.1
58.06623	0.5
59.07366	0.1
60.08151	6.2
67.05486	0.6
69.03431	0.1
69.07044	0.2
71.07360	2.8
71.62112	0.1
79.05455	0.8
81.03406	0.4
81.07037	0.8
83.04942	0.2
83.08599	0.3
85.02893	0.3
86.09689	30.9
87.10007	0.2
91.05476	0.7
93.07030	0.6
95.04967	0.2
95.08584	0.4
97.02893	0.1
97.06532	0.2
97.10131	0.2
98.98446	2.7
104.10724	2.8
104.11398	0.2
105.07017	0.5
105.74703	0.1
107.04954	0.2
107.08578	0.5
109.10131	0.3
111.08038	0.1
117.06992	0.2
119.04910	0.1
119.08597	0.3
121.01830	0.1
121.10130	0.4
123.04394	0.2
123.08064	0.1
123.11752	0.1
124.99980	19.8
129.06946	0.1
131.08522	0.2
133.10085	0.3
135.11667	0.1
136.11302	0.1
139.03889	0.1
143.01059	0.3
143.08510	0.2
145.10068	0.2
147.11673	0.2
151.03929	0.1
154.29761	0.1
157.10042	0.1
159.11652	0.1
166.02634	0.1
171.11722	0.1
175.11156	0.1
177.05498	0.1
180.56595	0.1
183.87437	0.1
184.07304	100.0
185.07671	0.9
193.12167	0.2
211.13605	0.1
241.92929	0.1
267.16003	0.3
269.17484	0.1
283.15457	0.2
285.17120	0.1
351.24866	0.1
385.23627	0.1
415.31622	0.1
459.27469	0.2
464.24023	0.2
477.28241	0.7
495.29355	0.1
584.85217	0.1
656.35071	0.2
674.36505	11.8
675.36877	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.1
53.00297	0.1
53.03935	0.3
55.01838	0.1
65.03940	0.4
67.05482	0.1
69.03410	0.3
70.05524	0.4
70.05941	0.2
71.04977	0.3
81.03410	1.7
85.02890	0.2
87.50999	0.1
91.05466	2.6
93.07017	0.1
95.08557	0.2
97.02878	1.1
97.06505	0.1
99.04439	2.0
103.03906	0.2
109.02862	4.5
115.03859	0.1
117.36517	0.1
119.04922	10.0
127.03896	8.8
139.03880	0.1
145.04948	0.9
147.04387	100.0
148.04723	1.7
148.22896	0.1
165.05417	0.2
169.04941	1.1
187.06020	1.6
229.07011	2.8
243.06541	0.2
259.09622	0.1
273.07513	0.9
289.09201	0.2
315.08511	0.2
329.11795	0.1
333.09671	0.2
351.10696	7.0
352.11115	0.3
376.22559	0.1
411.04361	0.1
439.61090	0.1
523.75745	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	674.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.1
53.03934	0.3
55.11523	0.1
61.02911	0.2
63.02371	0.1
63.54174	0.1
65.03915	0.5
67.05495	0.1
69.03418	0.3
69.41759	0.8
71.04973	0.2
71.44669	0.1
79.05454	0.1
81.03408	2.9
85.02903	0.6
91.05471	3.0
93.07008	0.1
93.52229	0.1
95.04922	0.1
95.08611	0.1
97.02880	2.1
97.06513	0.4
99.04444	0.9
103.04028	0.1
105.07034	0.2
107.05016	0.1
107.08598	0.1
109.02867	11.0
109.10135	0.2
110.03183	0.1
119.04932	10.9
120.05281	0.1
121.06480	0.1
123.04452	0.4
127.03902	6.7
128.04218	0.1
138.05490	0.3
139.03897	0.9
147.04393	100.0
148.04732	1.5
151.03912	0.1
163.03902	0.3
165.05548	0.1
169.04953	3.1
170.05255	0.1
173.05904	0.1
181.04924	0.1
185.05965	0.1
187.05991	0.2
191.03287	0.1
201.05360	0.2
211.06096	0.2
219.10135	0.2
229.06982	0.8
243.06505	0.2
245.04417	0.2
246.04669	0.1
247.05939	0.2
247.08231	0.2
255.06531	0.2
259.09644	0.1
271.05728	0.1
273.07556	1.2
275.05484	0.1
287.05463	0.3
288.05908	0.1
289.09286	0.5
291.08682	0.2
315.08588	1.6
333.09637	0.2
351.10703	4.3
354.83365	0.1
369.13443	0.1
393.11826	0.3
409.09036	0.1
512.20740	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	673.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
55.01861	6.8
55.05501	15.0
57.03424	20.3
57.07069	2.4
59.04995	2.4
60.35002	0.9
61.02909	2.5
65.03920	2.4
67.05492	62.2
67.64967	0.9
68.99779	1.2
69.03414	25.0
69.03799	1.2
69.07062	10.6
69.43313	1.8
69.43713	8.1
71.01341	1.9
71.04976	8.0
73.02905	21.8
75.32147	0.8
77.03946	1.0
79.05478	27.0
79.28205	0.9
81.03403	65.6
81.07039	30.5
82.03754	0.9
83.04967	20.7
83.08601	20.2
85.02892	39.4
85.06529	4.7
87.04469	1.8
89.02370	1.1
91.03937	1.0
91.05465	25.9
92.05806	1.1
93.07021	15.8
95.04345	2.0
95.04945	25.5
95.08587	13.9
97.02872	18.1
97.06506	8.9
97.10133	5.2
98.07320	1.1
99.04428	5.6
99.08074	1.8
101.02361	3.0
101.05972	1.3
103.03945	2.5
103.05473	1.2
105.07015	17.5
107.04934	19.4
107.08574	12.1
107.12891	0.9
109.02862	9.1
109.06501	5.3
109.10135	54.3
110.10463	1.2
111.04417	11.7
111.08056	11.3
113.06023	2.0
115.03910	2.2
115.05349	0.9
116.04676	1.8
117.07016	3.8
119.04930	2.4
119.07714	0.7
119.08554	17.9
121.02863	1.4
121.06499	3.9
121.10133	11.8
123.04401	10.7
123.08039	6.6
123.11697	3.1
125.05953	2.9
125.09619	6.2
127.03893	8.6
127.07569	2.0
127.11172	1.6
128.06189	0.9
129.05486	4.5
129.06975	7.2
131.03381	3.9
131.04948	1.0
131.08548	9.3
133.06485	3.0
133.10101	9.9
135.04398	8.4
135.08011	1.6
135.11662	3.3
137.02330	2.1
137.05943	1.8
137.09595	6.7
139.03864	4.2
139.07527	1.4
142.07803	1.7
143.06976	1.1
143.08582	1.5
145.04936	1.5
145.10100	5.2
147.04387	6.8
147.08012	3.2
147.11664	11.4
149.09557	6.5
149.13200	1.1
151.03873	6.1
151.11102	1.6
153.01788	20.6
153.02948	1.2
153.05394	4.7
153.12749	2.1
155.08580	1.2
155.10649	2.7
157.08699	2.0
157.10109	8.7
159.11646	1.3
161.09618	2.6
163.03897	4.2
163.11118	5.9
165.01859	1.2
165.09099	4.1
165.12729	3.0
169.10216	1.0
171.02884	9.6
171.06425	1.0
171.10077	1.2
171.11621	1.4
173.04453	3.1
173.09532	1.6
173.11710	14.9
173.13162	1.7
175.11142	11.2
175.14832	2.2
177.01874	1.2
177.05333	1.7
177.12811	1.2
179.03378	1.2
179.10710	1.8
181.04936	5.7
181.12221	1.8
183.02852	1.7
183.13869	1.0
184.07356	2.1
189.05492	2.5
189.11198	1.7
189.12761	1.1
191.03363	4.3
191.10683	2.2
193.12207	32.4
193.15932	1.1
194.12537	1.2
195.02873	3.8
197.13196	1.0
199.06049	3.3
199.13217	2.2
201.09126	1.1
203.14337	2.3
209.11699	2.6
211.13249	48.5
217.05009	2.0
217.07056	5.6
219.10179	3.6
221.15367	2.2
227.12772	4.0
229.14296	48.0
231.06508	1.1
239.16391	1.8
245.04436	4.7
257.04428	1.4
261.03751	1.2
264.77942	0.9
267.15836	16.1
273.07520	13.5
283.06116	1.4
283.15381	3.9
285.07581	3.3
285.10352	1.6
285.16885	25.5
286.04782	1.9
286.17325	1.6
287.05432	17.9
301.16440	5.0
315.08597	1.1
365.15115	1.2
383.11151	7.4
383.20993	1.1
392.53427	1.0
421.25806	15.8
425.08380	5.7
429.20773	1.6
439.26822	100.0
440.27344	3.8
445.20718	1.4
457.33194	2.1
459.27383	1.4
475.27063	1.4
475.33847	2.4
477.28186	1.8
493.27579	4.0
494.28418	1.3
495.29419	0.9
501.22903	1.4
511.28668	2.3
514.41602	0.9
550.21442	1.1
655.33191	5.0
672.02209	0.9
673.33972	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	672.4225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.3
56.05022	0.5
57.03431	0.2
58.06618	0.4
59.07390	0.2
60.08155	6.1
67.05494	1.1
69.03406	0.1
69.07048	0.3
70.06567	0.1
71.07359	2.6
79.05489	0.6
81.03387	0.2
81.07049	0.8
82.72478	0.1
83.04991	0.2
83.08562	0.2
86.09693	28.6
87.10032	0.2
91.05470	0.6
93.07031	0.8
95.05010	0.2
95.08595	0.6
97.10142	0.1
98.98450	2.5
104.10728	1.8
105.07020	0.4
107.08588	0.4
108.34947	0.1
109.06462	0.2
109.10133	0.5
116.99476	0.1
119.08549	0.3
121.10140	0.3
124.99989	19.2
133.10086	0.3
135.11703	0.2
143.01059	0.2
143.08560	0.1
145.10129	0.1
147.11734	0.1
159.11604	0.1
161.13293	0.1
166.02612	0.3
184.07315	100.0
185.07648	1.0
196.60638	0.1
230.13019	0.1
243.31627	0.1
291.19339	0.2
412.20703	0.1
454.68030	0.1
475.34448	0.1
531.36932	0.4
574.37939	0.1
652.79858	0.1
672.30750	0.9
672.42035	6.1
673.42316	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32627	0.1
53.03930	0.1
55.05489	0.4
56.05026	0.6
57.03419	0.2
57.07056	0.1
58.06621	0.5
59.07378	0.2
60.08154	6.1
67.05495	1.3
69.03413	0.2
69.07051	0.3
70.78016	0.2
70.78333	0.2
71.07365	2.9
79.05485	0.6
80.97431	0.2
81.03398	0.3
81.07039	1.0
83.04936	0.2
83.08608	0.3
86.09692	28.8
87.10024	0.2
91.05470	0.5
93.07040	0.7
95.04939	0.2
95.08565	0.6
97.06544	0.1
97.10152	0.1
98.98447	2.3
104.10728	2.0
105.07029	0.6
107.04928	0.1
107.08561	0.6
109.06523	0.1
109.10136	0.8
113.05969	0.1
117.06973	0.2
119.08561	0.3
121.10128	0.3
124.99984	20.3
126.00323	0.1
131.08539	0.2
133.10150	0.5
135.11633	0.2
135.98167	0.1
137.09529	0.1
143.01022	0.3
143.08481	0.2
145.10130	0.2
147.11714	0.3
149.13228	0.1
157.10068	0.2
159.11699	0.1
163.01582	0.1
166.02695	0.1
183.11781	0.1
184.07310	100.0
185.07709	1.1
233.82759	0.1
304.26328	0.1
383.54947	0.1
489.35995	0.1
518.32141	0.2
531.37225	0.4
578.24683	0.1
654.41150	0.1
660.00787	0.1
672.42249	7.2
673.42712	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84615	0.3
53.03933	0.5
55.01857	0.7
55.05510	1.8
57.03423	1.0
61.02923	0.4
65.03935	0.6
67.05222	0.3
67.05495	3.8
68.99786	0.3
69.03404	1.3
69.07048	1.1
69.41797	0.9
69.42222	2.3
71.04969	0.7
73.02916	0.4
79.05476	3.8
80.04991	0.5
81.03405	2.9
81.07045	5.0
83.04961	1.5
83.08600	1.0
85.02877	1.4
85.06519	0.6
87.04444	0.3
91.05470	3.4
93.07032	5.3
94.06549	2.9
94.07380	0.4
95.04941	2.2
95.07327	1.9
95.08588	3.0
96.08112	4.3
97.02863	1.4
97.06528	2.1
97.10204	0.7
99.04443	0.7
103.05468	0.6
105.07018	3.1
106.06493	0.4
107.04938	1.1
107.08581	2.4
108.08100	4.8
109.02828	0.7
109.06491	0.9
109.08911	0.4
109.10143	2.6
110.09667	8.8
111.04363	0.5
111.08049	0.7
117.06976	0.7
119.04928	0.5
119.08576	2.4
120.04395	0.4
120.08079	6.0
121.02881	0.4
121.06459	1.0
121.10115	2.0
122.05986	2.6
122.09600	0.3
123.04430	2.7
123.06752	0.3
123.08034	1.2
123.11681	0.8
124.07571	0.8
125.06017	0.3
125.09621	0.8
127.03900	0.8
127.07558	0.5
129.07047	0.3
131.08527	1.2
133.06470	0.3
133.10138	1.6
134.05969	0.5
135.04332	0.4
135.08064	0.9
135.11665	1.1
136.07558	4.6
137.05957	0.6
137.09563	1.0
138.09106	10.9
139.03848	1.7
145.06438	0.4
145.10091	1.3
147.04424	1.6
147.08055	0.7
147.11653	1.5
148.07536	2.2
149.05943	0.3
149.09671	0.7
149.13251	0.9
150.09171	0.5
151.03868	2.1
151.07579	0.5
152.06990	0.7
153.01804	2.3
153.05479	0.4
155.08505	0.5
157.10107	0.7
159.11613	0.5
161.05963	0.6
161.13232	0.4
163.03896	1.0
163.11192	1.2
164.07022	0.3
165.01840	0.4
165.05524	0.7
165.09129	1.1
165.12689	0.4
166.08611	12.7
167.08925	0.4
171.02908	1.7
171.04221	0.3
173.09659	0.5
173.11713	0.3
175.11136	0.8
177.05444	0.7
181.04974	1.3
183.02838	0.5
184.07326	1.4
185.13275	0.6
187.07474	0.4
189.05403	0.4
191.03378	0.7
193.12292	0.9
195.02931	0.6
203.14288	0.3
205.08640	0.8
209.10667	2.1
211.08612	0.5
211.13290	1.1
213.05313	0.4
217.04948	0.6
217.08659	0.4
219.10197	0.9
221.10718	0.6
221.15370	0.4
222.11317	0.4
223.08652	0.5
223.12152	0.6
225.10249	1.1
228.26399	0.3
229.14403	0.7
234.07628	0.4
235.08536	1.9
236.09355	3.2
237.10187	15.7
238.10838	0.8
239.11690	0.8
245.04449	2.2
247.06190	0.3
247.08682	0.6
248.09464	0.6
249.10199	10.4
250.07356	0.8
250.10942	2.8
251.08051	0.7
251.11797	3.7
252.08868	0.5
252.12474	0.4
253.09688	2.3
255.11159	0.8
261.10117	1.6
263.08096	1.6
263.11792	1.0
264.08890	8.6
264.11807	0.4
265.09650	8.8
265.12704	0.5
266.10333	1.2
267.11301	3.9
267.15845	0.8
268.08328	0.3
268.11783	0.5
269.09125	0.6
269.12988	0.4
269.17310	0.3
273.07605	1.4
276.08978	0.7
277.09671	9.9
278.10385	4.3
279.07907	1.0
279.11224	10.1
280.08966	0.5
280.11841	1.6
281.09174	3.0
281.12442	0.6
282.09872	0.8
283.06149	0.4
283.10782	0.9
283.15356	0.7
285.07632	0.7
287.05554	1.3
289.09650	0.9
290.10184	0.3
291.07657	1.7
291.11078	0.8
292.08398	2.3
292.11929	0.9
293.09198	39.0
293.12726	4.8
294.09677	2.4
295.10724	2.5
296.11255	0.4
297.08820	0.6
297.12277	0.9
303.08463	0.7
304.08517	0.4
305.09161	7.8
306.09818	1.2
307.10693	10.0
308.07953	0.6
308.11145	0.5
309.08636	2.3
309.12302	3.2
310.09323	0.7
310.12869	0.3
311.10233	1.7
311.13846	1.2
312.11041	1.4
313.11740	2.7
317.15030	0.9
319.10773	1.3
321.08685	0.6
321.12308	0.6
322.13095	0.5
323.10181	3.5
324.11008	1.4
325.11703	3.1
326.12704	0.5
327.13504	1.5
333.08612	4.6
337.11707	2.8
338.12573	1.0
339.09552	0.7
339.13327	6.6
340.14328	1.2
341.11530	0.5
341.15536	0.5
342.12238	0.5
342.16107	0.6
347.10193	0.5
350.12976	0.4
351.09686	19.9
352.10406	1.2
353.11044	1.6
353.15051	1.3
354.12292	1.1
355.12781	2.1
356.13828	0.9
357.14157	1.0
364.14563	0.7
365.11166	2.9
365.14722	0.3
366.12045	4.0
367.12958	1.5
368.13919	1.8
369.10535	0.5
369.14578	1.6
370.11536	1.2
370.15656	0.7
371.12250	3.9
371.16190	0.4
372.13071	0.8
380.13831	0.4
382.11557	1.1
382.15585	1.1
383.12244	6.8
384.12747	0.6
384.17163	0.9
385.13828	3.6
385.23749	0.5
386.14944	0.6
387.15851	0.6
388.16766	0.4
390.18259	0.5
392.14120	0.5
396.13489	1.3
397.13947	6.5
398.14401	2.5
398.17972	0.5
398.19226	0.7
399.15433	0.6
400.16495	0.8
402.14026	0.7
402.18713	0.4
410.14975	1.2
412.16586	1.4
414.14005	0.5
416.16034	0.6
418.17624	2.7
425.08670	0.9
426.14386	0.8
428.16013	2.0
429.16074	0.5
430.17734	0.4
432.19376	0.6
434.16974	0.5
438.14276	3.4
439.15030	0.4
439.27106	0.6
442.17551	0.5
444.19431	0.5
446.17032	12.8
447.17679	0.7
448.18668	0.4
456.15421	5.7
457.32813	0.6
458.17047	1.1
459.17990	0.6
459.27292	1.6
462.20425	0.7
467.33453	0.5
476.18069	3.9
477.18701	0.4
477.28287	1.6
478.19638	8.2
479.20047	0.5
486.16565	0.6
488.18115	1.9
490.19714	1.7
504.18024	0.9
508.20975	0.5
518.19055	3.5
519.20007	3.5
520.20508	1.0
522.22614	0.8
536.20227	2.5
550.21777	44.6
551.22522	100.0
552.22827	7.9
591.22406	0.8
609.23267	6.0
610.23322	0.6
623.24677	2.2
624.26227	0.4
641.25995	13.2
642.26294	1.3
673.18604	0.5
673.33453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84556	0.3
53.03924	0.4
55.01865	0.8
55.05500	4.2
57.03426	4.3
57.07064	35.0
57.83123	0.3
60.73311	0.3
61.02913	13.0
67.05492	8.8
69.03398	1.5
69.07056	7.4
69.67645	0.7
69.68060	1.6
71.04980	0.7
71.08616	28.0
73.02902	4.7
75.04463	2.4
79.05478	1.4
81.03399	1.2
81.07040	14.5
83.08601	10.8
85.02887	14.8
85.06548	0.9
85.10163	17.1
86.09664	0.4
86.10507	0.5
89.06029	0.8
91.03936	12.4
91.05446	0.7
93.07020	1.2
95.08591	22.4
97.02868	7.2
97.06475	0.5
97.10155	6.1
98.20760	0.6
99.04453	1.2
99.11721	1.5
103.03965	0.4
103.07586	1.1
105.06982	0.7
107.08603	0.6
109.02869	0.7
109.10136	10.8
111.08034	0.4
111.11732	1.2
115.03915	0.7
121.10096	0.5
123.08061	0.3
123.11681	4.3
125.00003	0.4
125.13255	1.1
127.03882	4.3
128.06148	0.3
133.10164	0.5
135.11700	0.3
137.13243	2.3
139.14819	0.3
140.88464	0.3
145.04933	6.5
147.11795	0.3
151.14827	0.5
159.11707	0.3
163.05995	10.9
163.07378	0.6
165.16327	0.5
184.07317	1.3
204.08446	0.3
221.22603	0.9
239.23645	19.3
240.23880	0.6
257.24701	4.0
268.34073	0.3
270.16089	0.3
275.26135	0.3
284.83722	0.3
298.27222	0.5
313.27295	100.0
314.27689	4.0
331.28348	40.1
332.28748	1.3
475.32571	3.0
615.73541	0.4
637.37817	0.4
672.41608	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75865	0.5
53.03931	1.1
55.01865	1.1
55.05258	0.5
55.05505	6.7
57.03429	4.3
57.07069	38.4
58.07399	0.6
61.02917	14.7
65.22224	0.4
67.05164	0.9
67.05499	13.0
67.05864	0.6
68.05822	0.8
69.03426	2.3
69.07060	9.4
71.04977	1.0
71.08625	31.3
71.63000	0.9
72.08946	0.7
73.02911	6.3
75.04469	2.6
79.05473	5.0
80.05799	0.8
81.03396	5.0
81.06567	1.0
81.07048	19.1
82.07361	1.2
83.04971	1.2
83.08608	12.4
85.02895	21.2
85.06532	0.9
85.10172	19.4
86.09698	0.8
87.04424	0.7
89.05992	0.9
89.30815	0.5
91.03947	15.1
91.05467	5.7
93.07030	5.5
94.07349	1.2
95.04955	3.3
95.08595	28.4
96.08923	0.6
97.02882	9.5
97.06481	0.8
97.10157	7.1
99.04427	1.3
99.11707	1.4
103.07574	0.9
105.07029	3.5
106.07317	0.6
107.04952	1.2
107.08588	2.7
109.02848	1.1
109.06491	0.8
109.10144	14.6
109.10904	0.7
110.10463	0.8
111.04442	0.5
111.08060	0.6
111.11700	1.7
113.13262	0.5
115.03924	1.1
115.05460	0.4
117.07020	1.5
119.08575	2.6
120.08910	0.5
121.06530	1.0
121.10131	2.0
123.04384	0.5
123.11698	6.0
125.00013	0.5
125.09613	0.9
125.13257	1.5
127.03908	7.0
129.07007	1.4
131.08519	1.8
133.06476	0.8
133.10103	1.8
134.10551	0.5
135.08060	1.0
137.13196	2.3
142.07658	0.5
143.08545	0.8
145.04930	9.4
145.10098	1.8
147.04445	0.6
147.11685	1.1
149.05957	0.6
149.09650	0.6
151.14841	0.8
157.10130	0.6
159.08044	0.6
159.11592	0.9
162.13441	0.5
163.05992	13.5
163.11156	0.8
163.14885	0.5
165.16447	0.7
169.10089	0.8
172.12105	0.5
181.10107	0.8
183.11736	0.7
184.07272	3.6
193.12177	1.0
211.13322	0.8
221.22563	1.0
239.23665	19.1
240.24065	0.6
251.64507	0.5
257.24719	3.5
267.15884	0.8
273.14877	0.7
275.20081	0.5
275.25711	0.7
301.14163	0.7
302.14612	0.6
313.27328	100.0
314.27725	3.7
320.15933	0.8
331.28384	53.4
332.28802	2.3
335.25812	0.9
336.26111	1.5
370.24670	0.6
475.30850	0.6
482.05594	0.5
513.35535	1.4
528.37915	0.6
546.38641	0.7
636.39447	1.8
640.27130	0.5
654.40601	2.3
672.30060	2.7
672.41412	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	672.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01859	0.8
55.05502	6.3
55.13630	0.5
57.03425	3.4
57.07047	0.5
61.02907	0.9
65.03916	0.7
67.05495	25.1
69.03404	0.7
69.07054	6.6
69.86513	0.7
69.86916	1.6
71.04974	1.4
73.02930	0.5
73.06539	0.6
77.03904	0.5
79.05479	26.6
80.05826	0.4
81.03400	3.3
81.07043	28.7
83.04970	4.6
83.08608	5.9
85.02885	1.0
85.06515	1.6
86.09676	1.1
91.04887	0.7
91.05465	16.9
93.07027	28.2
94.07364	0.5
95.04955	6.8
95.08591	9.7
97.02863	1.0
97.06526	3.5
97.10147	1.6
99.08075	0.6
104.70587	0.4
105.04488	0.7
105.06298	0.5
105.07014	11.7
107.04945	1.8
107.08577	12.2
109.06480	2.4
109.10148	2.5
111.08076	1.7
115.05403	0.5
117.06999	4.4
119.08562	7.1
121.06491	1.1
121.10113	3.5
123.08047	1.7
123.11706	1.0
125.09602	0.4
127.07550	0.7
128.06203	0.7
129.06978	4.5
131.08553	2.6
133.10117	6.1
135.07997	0.6
135.11687	2.6
143.08527	2.1
145.10107	3.1
147.08000	0.6
147.11667	10.3
148.43098	0.4
149.13243	5.3
151.11195	0.7
159.11641	3.6
161.09589	1.1
161.13214	3.4
171.11656	6.9
177.12735	1.1
184.07375	2.6
189.12799	2.1
195.13724	3.3
203.24960	0.4
207.13759	7.0
213.14944	0.4
243.49771	0.4
251.16364	0.5
269.17438	17.3
281.17419	17.8
311.34042	0.4
350.66132	0.4
413.21783	0.6
457.29245	0.7
475.30472	100.0
476.30740	3.1
619.34631	1.3
633.96942	0.4
683.70740	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	0.3
51.02362	0.4
53.03922	1.4
53.10283	0.3
55.01851	1.3
55.05266	0.3
55.05503	4.9
57.03428	3.7
57.07038	0.8
61.02906	0.8
65.03926	0.8
67.05493	22.1
69.03434	0.4
69.07058	7.0
71.04964	1.4
71.08630	0.5
71.52568	0.3
73.06516	0.4
79.05479	24.3
80.05770	0.3
81.02338	0.3
81.03400	2.3
81.07044	27.3
83.04972	4.9
83.08612	4.7
85.02881	1.0
85.06529	1.6
91.03955	0.4
91.05466	14.8
93.07028	27.8
95.04951	6.2
95.08593	9.8
97.02866	0.6
97.06524	3.8
97.10133	1.1
98.20703	0.7
99.08063	0.9
103.05481	0.4
105.04507	0.5
105.07017	10.8
107.04954	1.7
107.08578	10.5
108.00998	0.3
109.06496	1.7
109.10126	1.4
111.08042	1.7
113.09660	0.5
117.06995	3.4
119.08567	5.8
121.06454	1.1
121.10126	5.5
123.08045	2.1
123.11708	0.5
124.99901	0.5
126.81478	0.4
127.07545	0.7
128.06183	0.7
129.06990	4.8
131.08546	2.5
133.10118	4.7
135.08084	0.7
135.11655	2.6
137.09651	0.4
141.09137	0.4
143.08505	2.5
145.10092	2.5
147.08025	0.6
147.11662	10.5
149.13240	6.9
159.11668	3.4
161.09593	0.9
161.13228	2.9
163.11110	0.6
171.11652	7.2
177.12669	1.5
184.07256	0.4
189.12727	2.9
195.13766	1.4
207.13773	6.8
213.14749	0.4
225.14861	0.7
226.31781	0.3
251.16435	0.4
263.51349	0.3
269.17432	21.4
270.17688	0.5
281.17441	20.4
282.17813	0.6
457.29330	0.7
475.30481	100.0
476.30783	3.7
619.34747	0.4
637.70898	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	9.2
55.05257	2.4
55.05503	31.5
57.03426	14.1
57.07054	3.8
59.04984	3.2
61.02919	2.2
65.03927	2.2
65.77216	1.4
67.01827	1.8
67.05495	53.9
69.03419	24.5
69.07052	17.3
70.06560	1.6
71.01346	2.6
71.04978	11.9
71.61932	3.2
71.88393	1.5
73.02885	3.4
79.05052	2.7
79.05482	43.7
81.03404	67.7
81.06571	2.5
81.07045	51.9
83.04964	20.2
83.08606	25.2
85.02897	20.4
85.06548	8.5
86.09715	1.5
87.04455	1.7
88.70242	1.4
91.04894	1.8
91.05466	39.8
93.07030	44.9
95.04955	27.7
95.08593	33.6
96.08914	2.6
97.02876	16.9
97.06498	12.2
97.10158	30.1
99.04427	6.2
99.08061	3.4
103.03857	1.8
103.05459	3.9
105.03352	3.0
105.07011	33.1
107.04935	18.8
107.08574	37.2
109.02862	13.9
109.06493	13.8
109.09448	2.1
109.10149	29.9
111.04431	8.8
111.08058	10.1
113.05956	1.8
115.05440	2.0
117.07000	11.3
119.04929	9.3
119.08551	27.0
121.02857	9.7
121.06503	16.1
121.10122	28.8
122.10464	1.7
123.04417	26.4
123.08036	7.5
123.11703	7.8
125.05956	3.9
125.09605	24.9
127.03902	9.1
127.07447	2.4
128.06226	2.1
129.05469	3.5
129.06966	12.0
131.04904	6.8
131.08540	22.5
133.06477	9.3
133.10104	18.6
135.04358	5.7
135.08025	11.9
135.11653	11.9
137.05925	7.4
137.09576	8.7
137.13196	2.4
139.03868	10.1
139.07512	2.7
139.11096	3.0
141.06985	2.4
141.08958	1.5
142.07715	1.8
143.08513	7.2
145.02890	2.0
145.04962	2.7
145.06444	11.1
145.10110	15.3
147.04391	36.5
147.07990	8.4
147.11668	15.1
148.04736	2.6
149.05914	2.2
149.09607	11.8
149.13225	5.9
151.03882	18.4
151.07541	4.1
151.11174	3.1
153.01797	16.4
153.05467	4.8
153.09074	6.2
153.12753	3.5
155.08484	2.7
157.06485	2.3
157.08818	2.4
157.10103	13.7
159.08040	6.2
159.11636	7.5
161.05901	3.8
161.09575	4.5
161.13211	4.2
163.03880	7.2
163.07506	4.2
163.11159	10.5
165.05438	6.3
165.06752	1.8
165.09103	9.1
165.12669	3.8
167.06982	5.6
167.08353	1.8
167.10594	2.8
169.06433	2.3
169.10078	3.5
171.02921	10.8
171.07986	3.8
171.11688	6.3
173.04427	5.8
173.09592	5.5
173.11838	1.9
173.13211	6.7
175.03827	2.3
175.11223	8.8
175.14793	3.5
177.05458	6.3
177.12802	2.8
179.03404	3.6
179.07040	3.0
179.10699	2.8
181.04941	3.8
181.12195	2.8
183.02815	2.0
183.11635	2.5
184.07329	4.7
185.09537	1.9
185.13168	3.0
187.11183	3.9
187.14818	5.3
189.05409	4.3
189.09071	2.6
189.11174	10.1
189.12706	3.4
189.16319	3.5
191.07030	4.5
191.10587	3.3
193.08505	2.1
193.12209	23.1
193.15855	2.1
195.11620	3.3
197.09628	2.3
197.13219	4.9
197.15269	1.6
199.11133	3.8
199.14793	2.5
201.09100	1.7
201.12747	3.6
201.16364	5.2
203.07021	3.1
203.14264	1.6
204.18172	1.8
205.08585	5.1
205.12215	3.7
205.15900	3.0
209.11546	2.1
211.11269	3.1
211.13155	13.7
213.12747	1.8
215.14233	2.9
217.08786	3.2
217.12253	4.3
219.10141	3.8
219.13750	7.5
219.17313	3.4
221.08061	2.4
221.15207	3.0
223.13153	3.6
227.12584	12.7
227.17775	1.9
229.08571	2.1
229.14175	4.0
231.13765	2.3
233.15399	10.7
237.14833	2.9
243.13748	2.3
249.14810	4.2
255.06302	1.8
255.13809	3.8
257.11740	2.7
259.06116	1.9
267.15884	31.3
271.05817	2.0
271.13260	2.2
273.04828	2.2
273.07492	13.5
273.14551	8.7
283.15460	3.5
285.07492	3.3
285.16977	5.2
287.16254	2.4
289.06927	6.1
293.17526	2.6
301.06958	3.5
303.08514	19.8
339.19403	9.7
339.23047	2.9
341.10187	2.9
349.21664	8.1
357.13104	3.2
357.20651	5.8
357.24353	3.0
367.22629	21.8
385.23682	35.9
403.24863	11.0
405.24313	2.8
410.34930	4.5
428.36090	3.7
429.21100	3.3
441.26263	12.1
456.35489	3.0
459.27328	100.0
460.27805	3.5
473.32330	4.2
477.28442	99.5
478.28671	6.9
491.23883	4.6
491.29919	22.7
492.30688	2.4
509.24777	4.2
509.31149	12.3
567.29388	2.6
585.29724	2.5
603.31763	2.8
621.32208	5.3
622.93256	2.1
653.34375	4.8
671.35620	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	670.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.1
55.01812	0.1
55.05503	0.2
56.05019	0.8
56.80708	0.1
58.06612	0.4
59.07373	0.2
60.08153	6.2
67.05489	0.5
69.03429	0.1
69.07056	0.2
69.47981	0.9
70.06611	0.2
71.07362	3.1
75.93944	0.1
79.05474	0.4
80.92857	0.1
81.03400	0.2
81.07040	0.6
83.04938	0.1
86.09692	32.9
87.10026	0.2
91.05455	0.5
93.07011	0.3
95.04961	0.2
95.08585	0.3
98.20738	0.2
98.98448	2.9
104.10725	3.3
105.07028	0.4
107.08586	0.2
116.99490	0.1
117.07010	0.1
119.08569	0.3
121.06495	0.1
124.99984	21.2
129.06964	0.2
131.08591	0.2
133.10112	0.2
143.00981	0.2
145.10144	0.2
147.11688	0.2
161.09552	0.1
166.02713	0.1
171.11723	0.1
184.07309	100.0
185.07671	0.7
446.23175	0.1
464.24173	0.4
524.19818	0.1
670.36987	12.5
671.37341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.4
53.03933	8.6
55.01616	1.5
55.01862	19.9
55.05501	34.9
57.03426	28.5
57.07062	3.3
59.04974	3.3
61.02914	2.9
65.03918	5.8
67.05492	100.0
68.05811	1.5
69.03415	30.9
69.07056	19.2
69.39477	9.4
69.39898	2.7
71.01324	3.5
71.04982	10.9
73.02904	14.2
73.06519	1.6
74.53437	1.1
77.03904	1.9
78.26068	1.2
79.05478	93.8
80.06278	1.6
81.03403	69.2
81.07043	69.4
82.04182	2.9
83.04967	31.7
83.08604	17.5
84.05727	1.5
85.02890	21.5
85.06503	5.6
87.04446	1.9
87.40826	1.1
91.05462	75.8
92.05791	1.5
93.07025	83.5
94.07347	1.4
95.04951	37.7
95.08586	34.5
97.02868	23.2
97.06512	10.4
97.07095	1.6
97.10135	10.3
98.07288	3.0
99.04421	7.5
99.08066	1.9
101.02329	2.4
103.05473	3.2
105.04469	2.9
105.07008	54.7
107.04932	23.5
107.08578	28.3
109.02856	10.1
109.06513	11.2
109.10137	41.7
109.10901	1.7
110.10520	1.3
111.04412	7.1
111.08063	7.5
113.05976	1.7
115.03907	9.8
115.05431	4.0
116.04678	4.6
117.06994	21.7
119.04948	2.0
119.08556	40.7
121.06491	8.9
121.10113	14.0
123.04411	4.7
123.08042	11.5
123.11715	2.8
125.05950	1.9
125.09607	12.0
127.03902	10.2
127.07522	1.6
127.11148	2.4
128.06190	5.2
128.34659	1.1
129.05482	15.3
129.06970	27.5
130.07747	2.4
131.04871	4.6
131.08537	18.8
133.06487	6.9
133.10100	16.7
135.04361	5.5
135.08035	7.1
135.11670	7.1
136.08821	1.2
137.09578	5.1
139.03900	1.7
139.07523	2.1
141.06981	2.7
142.07713	1.4
143.03331	2.1
143.07063	2.3
143.08531	13.7
144.09288	1.5
145.06454	5.6
145.10089	21.0
147.04338	3.4
147.08000	8.2
147.11656	41.5
149.05952	1.6
149.09607	4.7
149.13275	1.7
151.11180	1.8
153.05490	2.2
153.06979	1.4
153.09161	1.6
154.07831	1.4
155.08511	4.3
155.10593	2.7
157.06479	2.9
157.08582	4.5
157.10112	6.4
159.07994	3.5
159.11682	5.3
161.09665	7.3
161.10736	1.1
161.13231	16.3
163.11142	10.7
165.09099	2.5
169.10049	2.7
171.06598	2.3
171.08023	2.8
171.10245	1.5
171.11649	36.0
173.04428	15.3
173.09549	3.9
173.11732	10.1
173.13130	2.5
175.11226	3.5
177.12746	2.4
179.14281	1.4
181.10156	2.7
181.12206	2.5
183.06450	1.2
183.11575	1.2
184.07315	1.7
185.09598	1.4
185.13216	2.9
187.11115	2.8
189.11139	3.9
189.12732	12.6
191.10649	2.9
193.12186	5.3
195.11668	1.1
197.13284	1.4
199.05995	4.5
199.13234	2.6
207.13773	31.8
209.11641	5.1
211.13240	3.5
217.07014	2.8
225.14726	3.9
227.12685	11.2
227.86920	1.3
229.14252	27.8
235.14613	1.2
241.15857	3.1
245.15128	1.6
253.14455	1.8
259.16891	2.9
263.16418	1.7
267.15887	4.7
269.15298	3.0
279.15747	1.6
281.17441	59.6
283.15289	9.4
285.16980	1.4
287.16324	6.3
301.16409	19.1
305.17258	2.3
343.22748	1.3
351.17996	3.4
405.26154	1.9
406.26962	2.7
423.27289	3.6
425.21497	5.0
435.27350	85.1
451.31757	1.3
461.28748	2.9
464.88760	1.2
467.03424	1.3
473.28812	3.4
489.28360	11.7
491.29932	1.4
507.29507	16.2
510.57477	1.2
587.31860	2.7
617.33551	1.3
633.32703	1.8
651.33722	4.2
669.33942	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	669.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
57.07055	0.3
67.05489	1.1
69.05357	0.2
69.07049	0.5
79.05475	1.3
79.72437	0.2
81.03397	0.9
81.07030	1.2
83.04981	0.2
83.08585	0.3
83.88781	0.2
85.06033	0.2
91.05464	1.0
93.07026	1.3
95.01891	0.2
95.04934	0.4
95.08578	0.4
105.07013	1.0
107.04144	0.2
107.08597	0.6
109.06492	0.3
109.10137	0.5
117.07008	0.4
119.08559	0.5
121.10122	0.4
129.06953	0.3
131.08595	0.5
133.10135	0.4
147.11690	0.3
197.57533	0.2
211.84715	0.2
234.05914	0.2
281.07312	0.2
283.10950	0.2
299.13837	0.3
329.43906	0.2
363.11200	0.2
363.16031	0.3
365.17728	0.3
371.23132	0.2
377.17679	1.0
378.18387	0.3
379.19089	0.5
390.18805	0.5
391.19293	1.4
392.19907	0.8
393.20615	1.6
395.22385	0.4
403.19482	0.4
405.16458	2.3
405.20947	0.8
406.17798	0.9
406.21924	0.7
407.22461	5.3
408.23047	0.3
418.21936	0.4
419.18127	3.2
419.23227	0.5
420.19064	1.9
421.15198	0.3
421.20203	4.1
422.20721	0.4
423.21793	0.8
431.18576	0.5
432.19391	0.4
433.15689	0.8
433.20688	4.1
434.21158	3.6
435.16302	0.4
435.21823	8.9
436.22559	0.9
445.20331	0.3
446.21112	0.4
447.18030	2.1
447.22467	1.2
448.18817	1.0
449.19516	6.2
450.20142	0.4
451.21146	0.4
459.21542	0.7
461.19495	1.4
461.24203	0.8
462.20209	3.2
463.21075	4.4
464.22031	1.3
465.22855	0.3
466.23593	0.3
475.21417	1.6
476.22141	0.4
477.23059	0.3
479.20001	1.1
489.23514	1.1
490.22977	0.3
493.21576	0.7
495.23718	0.7
505.22598	0.4
506.23001	0.3
507.19174	0.5
507.24597	0.4
509.21558	0.4
517.22321	0.5
521.25702	9.5
522.22229	1.2
523.23688	1.0
527.37115	0.6
528.37439	1.6
535.23639	1.0
537.24945	0.4
547.26831	1.0
549.24860	23.2
550.25360	1.1
553.27594	0.4
554.25598	0.3
565.24963	0.3
567.22388	0.5
569.94177	0.3
577.24286	0.9
581.27631	4.3
591.25903	0.6
607.29175	0.3
609.26941	16.8
610.27612	0.8
637.27039	0.3
651.27246	0.3
651.38812	0.4
669.29034	100.0
670.29272	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	669.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
61.02909	0.3
64.03793	0.2
69.03416	0.5
71.62380	0.2
72.92796	0.2
74.02434	0.6
78.58401	0.2
81.03400	0.4
85.02891	0.9
87.53609	0.2
91.05466	0.8
95.04922	0.3
97.02887	0.5
97.32488	0.2
98.00933	0.3
102.09800	0.2
109.02846	0.3
115.05437	0.9
117.05740	0.6
117.06965	1.1
118.06522	14.0
119.04906	0.5
119.06849	0.3
121.01985	0.3
121.02845	5.7
130.06508	1.3
132.08067	4.7
139.03885	1.1
142.06508	1.3
143.07314	1.6
144.04393	0.4
144.08058	11.3
146.05981	57.8
147.04430	1.1
147.06332	1.2
159.09157	5.7
160.07549	0.8
161.10985	0.2
163.03796	0.3
170.05989	3.7
188.07028	100.0
189.07384	2.2
205.09683	53.2
206.09961	0.9
213.09056	0.6
229.36343	0.2
237.40018	0.3
265.06927	0.4
283.08057	2.3
298.19547	0.3
303.04916	0.6
658.08337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01840	1.7
55.05504	6.8
57.03425	10.7
57.07045	0.7
59.04985	3.5
61.02892	2.0
65.03904	1.5
67.05493	54.6
68.05800	1.0
69.03416	3.9
69.07053	4.3
71.04985	4.7
71.16691	1.5
72.59662	0.6
74.09678	0.6
79.05050	0.6
79.05477	8.2
81.03403	43.5
81.06577	1.0
81.07041	16.0
82.03702	0.6
82.07368	0.5
83.04955	3.7
83.08145	1.0
83.08602	15.7
84.08085	0.7
85.02882	3.6
85.06506	2.4
86.09701	0.6
91.05464	15.0
93.06477	0.6
93.07024	8.6
95.04954	13.4
95.08585	8.8
97.02877	3.3
97.03418	0.6
97.06493	2.5
97.10120	1.8
98.21404	0.5
99.04423	1.6
99.08071	1.2
105.07018	8.8
107.04955	3.1
107.08566	6.3
109.02855	1.1
109.06491	3.1
109.10138	57.8
110.10436	0.9
111.04405	1.8
111.08066	6.6
113.06006	0.5
115.05428	0.8
117.06959	2.7
119.04916	2.6
119.08553	13.9
119.78426	0.5
121.02830	0.5
121.06505	3.6
121.10119	5.8
123.04375	3.1
123.08028	2.6
123.11713	1.4
125.09566	2.1
127.03883	0.9
129.06995	5.2
131.04881	1.6
131.08534	4.7
133.06451	1.3
133.10110	6.1
135.04391	0.7
135.07999	1.4
135.11638	1.9
137.05917	1.3
137.09595	4.3
139.03923	0.6
139.07509	0.7
142.07770	1.1
143.08533	1.0
145.06474	0.9
145.10054	2.7
147.04376	7.4
147.07993	2.4
147.11671	6.8
148.04745	1.5
149.09593	3.7
149.13286	0.7
153.01782	1.8
155.08519	0.7
155.10614	3.1
157.10114	6.2
159.11620	1.7
161.05933	0.8
161.09583	1.4
161.13200	0.8
163.11159	3.4
165.01831	3.1
165.09138	0.9
165.12721	1.4
169.12267	0.6
171.02820	2.0
171.11601	1.1
173.04463	0.8
173.11716	19.7
173.13123	0.8
174.11873	0.6
175.11143	7.6
175.14713	1.0
177.12711	0.7
182.68959	0.6
183.02852	3.4
183.11682	0.9
184.03215	1.0
184.07298	0.8
187.11078	0.6
189.12709	0.8
191.10612	0.9
193.12210	17.3
205.12170	0.8
209.11485	0.6
211.13211	1.5
215.14307	0.8
217.12198	0.8
227.12646	0.6
229.14313	82.6
230.14702	2.6
239.20206	0.6
247.30170	0.6
249.14890	1.6
267.15866	74.1
268.16193	2.3
273.07553	2.3
281.17776	0.6
285.07504	2.0
286.07922	1.8
309.16806	0.7
329.21100	1.7
345.21011	0.6
347.21729	0.6
403.24738	8.2
421.25781	100.0
422.26260	5.0
463.26825	2.1
517.27985	1.1
547.28656	1.5
668.32983	2.1
669.35889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3285
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03933	0.8
54.28319	0.3
55.01857	0.7
55.05501	1.6
57.03428	2.7
61.02917	3.6
67.05160	0.4
67.05495	5.2
69.03423	2.9
69.07066	1.3
70.73845	0.8
70.74195	0.3
71.01347	0.6
71.04981	1.2
72.88107	0.3
73.02914	2.8
79.05483	4.9
81.03406	5.0
81.07049	4.7
83.04970	1.9
83.08599	1.3
85.02891	6.0
85.06535	0.5
87.04449	0.4
91.03950	2.9
91.05453	3.9
93.07030	5.1
95.04948	2.5
95.08587	2.1
97.02877	3.6
97.06516	1.6
97.10165	1.3
99.04438	0.7
99.08126	0.3
101.02354	1.5
105.03324	0.4
105.07024	2.5
107.04936	1.1
107.08586	3.9
109.02869	1.3
109.06533	0.9
109.10139	1.9
111.04423	0.3
111.08048	0.9
115.03951	0.7
117.07006	0.9
119.05006	0.5
119.08560	2.9
121.02826	1.2
121.06507	0.7
121.10106	2.4
123.04395	0.6
123.08026	0.4
123.11687	0.4
125.09616	0.6
127.03901	1.7
129.06979	0.8
131.04826	0.3
131.08556	1.1
133.06514	0.4
133.10129	1.7
135.04408	0.3
135.08067	0.3
135.11668	4.5
137.09601	0.7
139.03889	0.7
143.08618	0.6
145.04904	0.5
145.10092	2.0
147.04376	2.2
147.08081	0.5
147.11697	1.4
149.09589	0.8
149.13159	0.3
151.03894	0.3
151.11195	0.5
153.01802	0.7
157.10136	1.1
159.08043	0.4
159.11703	0.7
161.09554	0.6
163.03954	0.6
163.11165	0.8
165.01816	0.9
165.05511	0.4
165.09099	0.8
167.10648	0.3
169.10106	0.4
171.11696	0.3
172.11874	0.3
175.11124	1.4
175.14929	0.4
177.05360	0.3
179.03375	0.4
181.12105	0.6
183.02892	0.9
184.07326	0.6
185.04196	0.7
189.12698	0.6
191.14409	0.3
193.12267	1.2
195.02898	0.4
199.15002	0.3
201.16422	0.3
207.68994	0.3
211.13258	1.1
221.11539	1.2
241.77966	0.3
243.08374	2.0
251.12566	1.4
255.15916	0.7
261.03784	0.3
277.14020	0.4
285.07477	0.3
307.15106	0.4
439.19315	8.8
439.25061	0.6
440.19809	0.3
469.20407	7.2
505.14786	0.7
505.27383	0.4
667.32880	100.0
668.33319	4.5
668.69824	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47907	1.3
55.05507	1.4
62.70160	1.3
81.07054	1.5
92.42741	1.3
98.21503	3.0
103.69439	1.2
120.08066	2.0
125.07265	1.3
138.80994	1.3
170.40210	1.4
176.59816	1.5
209.10765	1.5
240.33319	1.5
244.72603	1.2
249.09998	1.4
253.57481	1.5
257.10941	1.4
273.57220	1.3
316.60483	1.3
328.69681	1.4
337.12210	1.5
338.12842	1.5
339.13385	1.7
377.17450	2.6
389.17938	3.4
390.18491	3.9
391.19009	6.9
398.15121	2.6
400.16922	2.4
401.18069	2.3
404.19733	2.3
405.20657	8.0
406.21454	3.6
415.19327	1.5
417.16806	1.9
419.22446	5.7
420.22910	2.0
421.16608	1.7
431.18777	1.4
433.20172	4.8
435.18143	3.2
437.18704	1.6
442.17645	1.6
445.20694	2.2
447.21838	3.8
449.19604	3.1
450.20465	2.8
459.17874	2.4
461.19061	2.1
462.24405	2.0
463.21359	5.4
465.22794	8.1
472.19376	1.9
473.19772	4.4
475.21939	1.5
477.22852	3.5
479.20477	3.1
487.21393	4.0
489.19241	1.7
491.21078	1.5
493.22058	28.0
501.19479	6.0
505.17880	2.5
505.23132	2.7
515.20935	6.4
516.21289	3.5
519.24274	2.6
521.25488	8.5
533.22040	3.1
547.23370	5.5
551.26978	10.1
552.27069	2.5
561.21277	2.4
565.24377	23.9
575.22833	8.9
579.25952	16.1
580.26691	66.3
581.26654	6.6
592.22620	1.5
607.25378	41.3
607.34802	3.0
608.26123	2.3
635.24835	27.1
636.24536	1.8
639.28278	6.6
649.26715	9.4
667.27527	100.0
668.27454	7.9
699.00714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4324
Annotation	PAz-PC
Peak:m/z	Relative Intensity
55.05500	0.3
56.05016	0.5
57.07061	0.3
58.06609	0.5
60.08148	5.7
67.05481	0.5
69.07043	0.3
70.04272	0.9
70.06569	0.2
71.07352	2.6
71.08594	0.2
74.09703	0.6
79.05477	0.3
81.07038	0.4
83.08601	0.3
86.09684	28.0
87.10011	0.3
91.05441	0.3
92.15860	0.2
93.07027	0.3
95.08570	0.5
97.10152	0.3
98.98438	2.1
104.10725	2.0
105.07003	0.4
107.08539	0.3
109.10136	0.2
119.08573	0.3
124.99972	17.9
131.08627	0.2
133.10092	0.2
143.00970	0.2
184.07295	100.0
185.07629	0.7
194.46642	0.2
234.75217	0.2
310.20529	0.2
466.66904	0.2
469.20612	0.2
634.54730	0.2
666.43256	9.7
667.31104	0.3
667.43134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68960	1.2
55.05498	1.6
56.22185	1.4
59.28696	1.5
67.05484	2.7
71.63499	1.5
74.27013	1.2
79.05444	1.6
83.08561	1.4
88.40536	1.3
91.05431	1.8
93.07042	1.9
95.08601	2.8
107.08609	2.3
109.10125	2.6
111.41875	1.6
119.08568	1.7
144.08066	2.1
176.58714	1.4
230.15259	1.4
256.16986	2.3
259.92810	1.4
274.17957	3.4
275.18222	2.8
279.22656	1.8
363.16022	2.0
369.09219	1.6
375.15750	1.9
377.17477	5.4
378.18228	2.8
390.18448	1.8
391.19052	8.4
392.19720	4.6
405.20898	7.2
406.21344	2.4
407.22308	10.3
419.18295	8.1
420.18890	2.3
431.18741	2.2
433.19852	2.3
434.20825	4.3
435.21762	10.8
447.21924	2.4
449.19220	1.9
451.21313	6.9
459.18076	6.2
461.19611	4.3
463.25320	2.4
465.22623	4.5
473.19339	4.8
474.20212	5.6
479.20712	36.7
480.20981	3.6
487.17813	1.6
489.22464	5.4
493.22165	6.4
494.22736	3.6
501.18991	4.6
502.19641	2.8
505.17981	7.9
515.20416	4.9
516.21124	3.6
517.22308	80.2
518.22595	7.4
521.25159	4.9
549.24933	67.5
550.25061	3.5
565.23999	3.4
575.23199	7.8
580.26349	3.8
581.27106	1.6
593.23547	9.3
594.23712	1.9
607.24957	7.7
608.26196	15.8
635.24902	100.0
636.25293	7.5
666.42792	2.7
667.27014	74.2
668.27380	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	665.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01839	1.2
55.05505	3.3
57.03414	0.9
57.07044	0.7
57.33505	0.4
59.04950	0.4
62.01592	0.4
63.02356	0.6
67.05167	0.6
67.05491	8.2
69.03402	1.3
69.07052	4.2
71.04961	0.8
71.62805	0.5
73.88377	0.4
78.04662	0.5
79.05471	4.7
81.03386	1.9
81.07044	9.8
83.04958	2.4
83.08601	2.2
85.02866	1.1
85.06503	0.4
86.09709	0.3
88.78112	0.4
89.03899	4.2
89.26623	0.4
91.05453	5.7
93.07030	8.1
95.04929	1.9
95.08585	12.5
96.08897	0.4
97.02866	0.6
97.06495	1.7
97.10135	1.3
99.04420	0.6
99.08051	1.0
103.05437	0.6
105.07000	10.4
107.04916	1.0
107.08570	12.3
109.02843	1.0
109.06483	1.4
109.10133	9.5
111.04364	0.5
111.08054	1.7
111.11729	0.4
117.02515	0.5
117.03355	14.5
117.07001	2.2
119.08556	14.9
121.06522	0.8
121.09296	0.8
121.10126	8.9
121.87335	0.4
123.04384	0.5
123.08048	1.1
123.11672	2.3
125.05916	0.5
125.09595	3.1
127.03916	0.6
128.06232	0.5
129.06940	1.3
130.07785	0.4
131.08527	5.1
133.10103	9.9
134.03607	1.4
135.04413	2.0
135.08060	0.8
135.11646	4.1
137.09552	1.4
137.13217	0.6
143.08514	2.3
144.09256	0.7
145.02817	38.0
145.10097	9.9
146.03166	0.8
147.11670	4.3
149.02303	1.3
149.05948	6.1
149.09575	1.0
149.13263	2.8
151.11124	1.1
153.09097	0.8
157.10089	2.8
158.10760	0.4
159.11661	8.7
161.09610	0.4
161.13213	4.9
162.03082	0.5
163.03860	0.8
163.11130	1.2
163.14761	2.2
169.10115	0.4
171.11638	2.4
173.11757	1.0
173.13182	4.8
175.14809	4.6
177.05432	100.0
177.16335	2.5
178.05783	1.6
179.10669	0.5
179.14323	0.7
183.11667	0.7
184.07278	1.1
185.13242	2.2
186.05461	2.8
187.14787	11.5
189.12703	0.5
189.16331	7.2
191.14273	1.3
191.17914	2.9
193.04982	1.0
195.06496	9.9
197.13271	1.0
199.14793	2.2
201.16356	7.7
203.14302	0.9
203.17889	3.2
205.15872	3.2
205.19394	0.6
207.13647	0.6
207.17349	0.6
211.13202	0.7
213.16374	3.9
215.17871	6.2
217.15826	1.7
217.19460	0.9
219.17397	4.6
227.18086	0.7
229.14204	0.6
233.19009	1.5
235.16878	3.2
241.19458	1.0
243.21056	0.7
247.16902	3.9
247.20428	0.4
257.19006	0.6
257.22726	0.5
259.20581	0.5
261.18439	2.8
267.20969	1.4
269.22766	0.8
275.20044	3.4
281.22687	0.6
311.23605	0.8
339.17569	0.4
349.23627	1.1
349.28751	0.6
369.97668	0.5
373.18451	2.1
389.31888	3.1
395.29337	1.3
407.32983	12.1
408.33160	0.5
409.34995	0.6
423.32687	0.7
425.34091	1.1
435.32507	3.1
443.35074	1.2
448.10364	0.4
453.33554	10.1
454.33884	0.9
503.33765	3.0
577.13385	0.5
647.37695	2.3
665.18365	0.5
665.38513	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01851	1.9
55.05503	4.5
55.37576	0.5
55.42194	0.4
57.03409	0.8
57.07062	0.6
65.03924	0.6
67.05491	10.3
69.03411	1.3
69.07053	4.1
71.04960	1.3
71.62870	0.8
79.05473	5.6
81.03401	3.3
81.06577	0.6
81.07040	10.9
83.04970	3.9
83.08582	2.4
85.02880	1.0
85.06494	0.5
89.03901	6.9
89.05828	0.5
90.36137	0.5
91.05453	7.4
93.06457	0.9
93.07022	11.6
95.04945	2.3
95.08587	13.5
97.02863	1.5
97.06503	2.3
97.10102	0.8
99.04428	0.7
99.08060	0.5
103.05438	0.9
105.01938	0.5
105.07008	13.5
106.04165	0.5
107.04913	1.5
107.08568	13.9
109.02845	1.1
109.06492	1.8
109.10130	10.3
110.10489	0.5
111.08060	1.7
117.03352	18.7
117.06991	2.4
118.03583	0.6
119.08555	17.3
121.06483	1.1
121.09290	0.9
121.10114	9.7
123.08069	1.3
123.11655	3.4
125.05927	0.9
125.09599	3.1
127.03899	1.0
128.06169	0.7
129.07018	1.4
130.07643	0.6
131.08559	7.1
133.10107	10.4
134.03607	1.8
135.04376	1.7
135.08028	1.2
135.11630	5.2
137.09547	0.9
139.07530	0.7
143.08533	2.6
143.20746	0.6
145.02815	45.9
145.10074	10.1
145.11136	1.0
146.03157	0.6
147.07959	0.9
147.11661	5.7
149.05959	7.1
149.09575	1.5
149.13229	2.9
151.11154	1.1
153.09059	0.6
155.08583	0.6
156.09450	0.6
157.10085	2.7
158.06027	0.6
159.11667	9.9
161.13231	4.9
163.03918	0.8
163.11154	0.9
163.14769	1.6
169.10136	1.2
171.11633	1.9
173.11856	1.0
173.13239	4.7
174.22986	0.5
175.14787	3.6
177.05434	100.0
177.12636	1.0
177.16338	2.2
178.05769	1.8
183.11688	0.9
185.13213	1.3
186.05447	3.3
187.14799	9.7
189.16365	6.6
191.14232	1.5
191.17914	3.5
195.06482	2.0
197.13219	0.9
199.14780	2.2
201.16325	9.0
203.17920	2.2
205.15785	2.6
207.17348	0.7
211.13174	0.6
213.16331	5.8
215.17905	5.6
217.15891	1.4
217.19525	1.4
219.17409	7.7
227.17822	0.9
229.14322	0.9
233.18951	1.3
235.16872	4.4
239.18137	0.6
241.19553	1.3
247.16925	3.3
255.21059	1.3
257.18961	1.0
261.18433	2.4
267.20911	1.8
275.19998	5.1
277.19534	0.5
279.15872	0.7
281.17572	0.6
281.22583	0.6
293.21057	0.6
349.23773	1.9
373.18649	3.1
373.23019	0.8
385.37320	0.5
389.31931	3.1
407.33041	13.8
409.34567	1.9
435.32608	3.9
447.88846	0.5
453.33533	12.9
454.33771	1.0
476.93451	0.6
503.33783	3.2
633.89435	0.5
647.37549	3.8
665.37518	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97446	0.2
53.03899	0.3
53.63423	0.2
55.01833	0.3
55.05493	1.2
57.03383	0.8
59.56910	0.2
61.02880	0.3
63.05223	0.2
67.05490	2.7
68.05785	0.3
69.03372	0.9
69.07048	1.0
70.29696	1.1
71.04943	0.5
78.75403	0.2
79.05485	2.3
80.05782	0.2
81.03410	2.4
81.07037	2.8
82.03693	0.4
82.07356	0.2
83.04961	1.0
83.08554	0.7
85.02874	1.0
85.06491	0.5
86.09690	1.1
87.32259	0.2
91.05479	1.9
92.05762	0.2
93.07027	2.2
94.07320	0.3
95.04965	1.2
95.08582	1.6
97.02819	0.8
97.06458	0.6
97.10084	0.3
98.20835	0.2
99.04388	0.4
105.07014	2.2
107.04891	0.4
107.08575	1.8
108.08862	0.2
109.02838	0.4
109.06454	0.7
109.10141	1.4
111.04379	0.4
111.08050	0.3
117.06960	0.6
118.07339	0.2
118.32839	0.2
119.04859	0.4
119.08525	1.3
121.06444	0.5
121.10119	1.1
122.10456	0.3
123.04385	0.3
123.08042	0.3
123.11587	0.2
124.99938	0.9
125.09597	0.5
127.03901	0.4
127.07573	0.3
129.06879	0.7
131.08502	0.8
133.06438	0.2
133.10107	1.0
134.10429	0.3
135.07990	0.3
135.11620	0.9
136.11977	0.3
137.05898	0.2
137.09517	0.5
143.08434	0.7
145.10027	0.9
147.04381	1.2
147.11676	1.0
149.09561	0.8
151.11073	0.3
153.01752	0.6
157.10051	0.8
158.10487	0.2
159.11612	0.7
161.09494	0.3
161.13162	0.3
163.11089	0.5
165.09015	0.3
165.12662	0.4
171.02887	0.5
171.11584	0.5
173.13203	0.5
175.11102	0.3
177.12611	0.3
181.09958	0.2
184.07265	3.0
185.07608	0.3
185.09549	0.3
185.13214	0.3
187.11263	0.3
189.16434	0.2
193.12152	0.9
195.02853	0.7
203.10600	0.4
207.13756	0.3
211.13174	0.4
212.13594	0.4
213.09122	0.3
215.14265	0.2
255.15881	0.7
256.16183	0.6
257.16568	0.3
267.15790	0.4
268.16028	0.3
273.07489	0.7
280.22177	0.2
285.16675	0.3
286.17294	0.3
312.39835	0.3
315.08490	0.3
374.04135	1.3
375.04910	4.9
384.06042	0.3
385.07034	1.9
386.08267	0.4
387.04868	1.2
388.05634	4.0
389.06314	0.6
395.05484	0.5
398.04022	0.5
399.04184	0.3
399.08624	1.5
400.05338	0.3
401.02234	0.2
401.06635	2.9
402.07285	4.3
403.03290	0.3
403.08093	4.6
404.05121	0.6
412.05774	0.4
413.06473	13.9
414.06845	0.8
415.04395	0.4
417.05655	0.6
423.26868	0.3
425.06073	0.4
427.08154	0.6
428.08881	0.6
429.05685	1.4
430.06726	2.3
431.07574	7.7
432.07977	0.4
441.09763	0.4
443.07504	1.0
443.11969	0.7
444.07642	1.3
445.09106	13.9
446.09891	62.3
447.10330	2.4
448.27332	0.3
449.28079	1.1
450.28317	0.4
460.11475	2.8
461.12161	1.6
465.28128	0.5
466.28821	0.6
467.28836	1.3
468.29428	0.6
473.28906	1.5
474.29276	2.5
488.10989	2.2
501.11984	0.5
502.36615	0.3
503.13272	100.0
504.13623	4.0
597.29742	0.3
665.41071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.4
57.03427	10.4
57.07067	25.8
59.04977	3.1
61.02909	4.6
67.05491	61.8
69.03416	1.9
69.07055	6.5
70.21798	3.6
71.04975	3.8
71.08617	17.8
79.05479	2.1
81.07041	17.5
83.08594	10.7
85.02892	4.2
85.06530	2.1
85.10173	12.4
86.04572	0.9
86.09698	1.5
87.04430	0.9
89.06007	1.1
91.03976	1.5
91.05476	5.2
93.07022	5.6
95.04926	1.4
95.08582	15.3
97.02834	2.9
97.10149	5.5
105.06987	1.3
107.08543	2.5
108.08896	1.3
109.10135	68.5
111.08081	2.1
112.86325	1.0
119.08554	4.8
123.11712	2.9
128.34492	1.0
130.94464	0.9
133.10271	1.0
137.09589	4.0
155.10664	3.9
171.78793	1.1
173.11702	22.0
173.13144	1.8
184.07294	2.8
229.14305	100.0
307.97864	1.2
313.27298	80.9
314.27838	2.7
363.22491	1.1
393.14532	1.2
446.71793	1.1
467.37241	65.5
468.37076	1.4
492.37561	4.8
596.95410	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
55.01856	0.7
55.05504	6.3
57.03434	2.3
57.07067	17.8
59.04979	0.4
60.08134	0.6
65.03906	0.6
67.05495	13.3
69.03397	1.0
69.06777	0.4
69.07059	4.7
71.04963	1.4
71.08620	13.5
75.95705	0.4
79.05479	8.9
81.03404	10.2
81.07047	15.1
81.36598	0.4
82.06573	0.7
83.04961	4.0
83.08606	8.1
83.60292	0.4
85.02898	6.4
85.06498	1.1
85.10175	7.1
86.09682	2.0
89.17890	0.4
91.05472	12.5
93.07027	5.6
95.04957	5.8
95.08593	14.7
96.36237	0.4
97.02873	0.4
97.06500	1.0
97.10146	3.0
98.06030	0.7
98.98447	1.5
99.11692	0.6
105.07015	8.0
107.04944	2.3
107.08580	2.3
109.06491	1.8
109.10135	5.8
111.04421	0.8
111.08105	2.1
115.05451	0.7
117.06983	1.1
119.08555	7.3
121.06481	0.6
121.10126	3.1
123.08041	1.5
123.11702	2.6
124.99995	1.8
125.09608	0.6
129.06984	3.5
131.08551	3.6
133.10126	3.9
135.11623	0.5
137.13184	0.6
142.07741	0.7
145.10130	0.8
147.07999	1.2
147.11671	3.8
147.78874	0.4
149.09540	2.2
151.11223	0.6
155.01021	0.6
157.10120	3.6
165.12776	0.5
175.11172	3.2
176.19682	0.4
183.49957	0.4
184.07320	8.9
193.12198	6.9
211.13260	6.3
218.15395	1.7
229.47455	0.7
236.16377	3.3
238.14514	0.5
239.23738	1.2
250.18030	0.5
254.17509	2.9
267.15845	2.4
282.27872	3.1
285.16904	2.1
313.27347	4.9
316.13205	1.2
334.14206	1.5
372.15802	1.0
390.16690	1.6
401.79660	0.5
408.17819	2.3
505.38727	4.5
506.39124	0.5
523.39862	100.0
524.40186	4.0
548.42841	0.9
628.39484	4.2
646.40881	6.8
664.43433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05508	0.2
57.03424	0.4
61.02918	0.5
61.44378	0.1
65.03927	0.2
67.05483	0.2
68.99800	0.4
69.03419	24.4
69.60966	0.2
69.79499	0.8
71.01302	0.2
71.04983	0.6
79.05477	0.2
81.03408	0.4
81.07044	0.5
83.04966	0.2
85.02892	6.5
85.06584	0.2
87.04457	0.2
91.05460	0.3
93.07054	0.3
95.04974	0.3
95.08599	0.4
97.02877	72.5
98.03209	0.5
99.04421	0.3
99.66223	0.1
105.07008	0.4
106.80711	0.2
107.08562	0.4
109.02869	0.5
109.10146	0.4
111.00775	0.8
111.04415	0.3
115.03917	2.7
119.08566	0.3
121.02854	0.7
121.06422	0.2
121.10142	0.3
121.30288	0.2
123.04404	0.5
123.11693	0.2
125.09615	0.2
127.03905	1.9
129.05460	0.3
131.08492	0.2
133.10127	0.5
135.04399	0.2
135.11646	0.2
137.02312	2.0
137.05904	0.2
139.03886	0.7
139.11104	0.1
145.10062	0.2
147.04385	0.5
147.11652	0.3
149.02350	0.3
151.03906	0.4
153.01804	2.2
157.04942	20.7
161.79637	0.2
163.03926	0.7
165.01801	1.6
165.05539	0.2
167.07048	0.3
175.06052	0.4
175.14865	0.2
177.05484	0.3
183.02864	0.7
187.03978	0.2
189.05470	0.2
195.02882	0.2
201.05444	0.9
205.04865	0.3
213.05391	0.2
217.07048	8.9
229.04958	2.9
241.04802	0.2
247.05948	0.6
251.12221	0.2
257.04404	2.1
274.04724	0.6
285.03888	0.9
287.05469	10.6
303.04947	100.0
304.05328	2.2
304.08725	0.3
315.04974	0.4
323.12479	0.4
381.05734	0.3
434.71933	0.2
449.10773	8.1
450.11124	0.3
519.11316	0.2
595.12360	0.2
665.21204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03113	0.4
55.05521	0.7
57.07066	54.9
57.34887	0.4
66.53780	0.5
69.29109	1.5
69.29533	3.5
71.20638	0.4
77.03615	0.5
77.03975	0.7
79.05473	0.6
80.42623	0.4
81.07027	0.7
87.04470	1.6
91.05470	6.6
93.07034	0.6
95.04982	1.0
105.07003	2.1
107.08607	0.5
119.08595	1.0
132.09346	1.0
133.10062	0.6
147.11659	7.0
152.06279	1.1
153.06972	3.8
153.09297	0.4
170.75897	0.4
181.09827	0.4
188.84138	0.4
228.09329	1.0
228.72298	0.4
229.10182	1.1
229.79623	0.4
233.03571	5.5
245.56319	0.4
251.04630	14.2
307.10950	2.3
327.07742	100.0
328.07971	2.0
363.17032	0.6
368.10556	0.7
383.13980	68.1
384.14352	2.5
439.20267	79.2
440.20905	3.1
459.21710	0.9
461.23056	0.4
495.26514	62.0
496.26843	3.1
548.72247	0.5
551.32764	85.1
552.33301	3.9
575.29913	0.5
607.38977	83.3
608.39209	6.0
663.34753	6.1
663.45074	23.1
664.35394	0.6
664.45575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02074	0.4
55.05486	0.4
57.07069	52.7
58.07417	0.3
68.91396	0.5
71.05876	0.9
77.03603	0.8
77.03992	0.6
78.09101	0.4
81.07094	0.5
87.04468	1.6
90.66353	0.4
91.05469	5.4
91.56554	0.3
93.07085	0.5
95.04964	0.8
95.08617	0.4
105.07009	2.1
107.08584	0.7
119.08592	1.2
129.49498	0.4
132.09349	0.6
133.10109	0.7
147.11670	6.7
147.12756	0.6
152.06300	0.8
153.06999	3.0
171.08112	0.5
184.07468	0.6
228.09351	1.1
229.10120	0.8
233.03580	5.0
251.04636	15.7
282.91492	0.4
307.10989	1.6
327.07755	100.0
328.08057	2.8
363.16977	0.5
368.10297	0.7
383.13992	71.2
384.14297	2.7
424.16699	0.6
439.20294	79.4
440.20532	3.1
480.23868	0.7
491.37463	0.6
495.26526	63.1
496.26880	2.9
551.32800	81.7
552.33002	3.9
607.39014	78.6
608.39276	5.2
648.42224	1.5
663.45233	21.6
664.45490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1908
Annotation	Crassirhizomoside A
Peak:m/z	Relative Intensity
53.03938	0.3
55.01867	0.4
55.05504	10.8
57.03425	0.2
61.02927	0.1
65.03934	0.3
67.05499	0.2
68.99799	0.1
69.03421	1.5
69.58742	0.8
71.01321	0.1
71.04981	2.8
72.52370	0.1
75.01796	0.1
81.03399	0.1
81.07047	0.1
83.04970	100.0
84.05305	0.6
85.02888	1.6
87.04446	0.5
91.05527	0.1
95.08578	0.1
99.04466	0.1
101.06015	0.4
105.06998	0.1
110.09676	0.2
111.04425	79.1
112.04761	0.5
113.05991	0.9
121.02862	0.4
125.05973	0.1
127.03890	0.3
129.05461	7.9
131.26732	0.1
134.27567	0.1
137.02379	0.1
138.09152	0.1
141.15756	0.1
147.04399	0.2
147.77948	0.1
153.01805	0.6
153.05428	0.6
154.21257	0.1
165.01830	0.5
171.06500	23.0
172.06839	0.2
183.02817	0.2
184.07275	0.1
189.07545	0.1
213.05481	0.3
218.90359	0.1
231.08604	6.7
241.04845	0.1
258.05386	0.2
278.96286	0.1
287.05460	28.1
288.05655	0.8
299.05307	0.1
316.84097	0.1
433.11276	1.8
499.12405	0.1
507.19901	0.1
508.19876	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.4
53.12235	0.2
55.01871	0.4
55.05503	6.3
57.03424	0.6
61.02923	0.3
65.03942	0.3
69.03418	8.8
69.07059	0.3
70.55237	0.4
70.55631	0.5
71.01339	0.5
71.04979	1.5
72.36059	0.2
79.05463	0.3
81.07037	0.5
83.04967	58.7
84.05307	0.4
85.02895	4.3
87.00820	1.3
87.04460	0.3
89.02370	0.5
91.05506	0.2
93.07022	0.3
95.04963	0.2
95.08585	0.3
97.36206	0.2
99.04451	0.4
101.06000	0.5
103.03915	0.4
105.07003	0.2
107.08586	0.3
109.10136	0.4
111.04424	100.0
111.37923	0.2
112.04742	1.1
119.08606	0.4
121.02847	0.8
121.10100	0.2
123.04401	0.8
124.04710	0.2
127.03901	0.8
129.05457	9.4
133.10126	0.5
135.11691	0.2
137.09630	0.2
139.03932	0.2
145.10077	0.2
147.04402	0.6
147.11690	0.3
148.04610	0.2
151.03838	0.2
153.05441	54.2
154.05800	0.5
161.05878	0.2
165.01758	0.2
165.05444	1.5
165.36519	0.2
166.05768	0.3
167.62257	0.2
171.06499	7.3
175.14818	0.4
177.05481	0.2
184.07281	0.4
213.07532	1.5
231.08601	25.9
232.08925	0.3
283.06012	0.6
287.05450	10.7
288.05807	0.4
299.05453	1.9
311.05435	2.3
317.10107	0.7
318.10486	0.3
329.06461	1.6
332.19348	0.3
337.06949	0.4
353.06256	0.3
371.07355	1.2
379.08087	1.4
397.09122	0.6
409.48965	0.2
433.11197	0.6
457.11096	0.7
466.22891	0.2
483.23563	0.4
484.23813	0.6
499.12161	0.3
517.13599	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.0
55.01873	7.4
55.05503	32.0
57.03432	16.3
57.07064	11.6
59.04992	2.6
65.03918	4.8
67.05495	100.0
68.05826	2.7
69.07057	41.9
69.07405	3.1
71.05003	5.5
71.23426	3.8
71.23763	2.5
77.03915	3.4
79.05483	77.0
81.03398	3.6
81.07047	83.4
83.04987	6.7
83.08608	20.9
85.06537	4.5
87.04458	25.0
91.05469	57.3
93.07030	79.3
94.07378	1.8
95.04941	10.5
95.08594	56.8
96.08953	1.9
97.06535	10.6
97.10148	18.2
98.98458	3.5
99.08097	3.8
100.73808	2.0
100.90196	2.1
105.04533	2.9
105.07014	46.5
105.07655	3.3
107.04967	4.1
107.08572	52.1
107.09262	2.7
109.06519	6.8
109.10146	35.5
111.08106	5.8
115.05482	2.7
117.06987	19.1
119.08560	34.6
121.06519	3.5
121.10129	29.7
123.08092	3.1
123.11664	9.2
125.09632	16.1
128.93062	1.8
129.07028	6.6
130.07796	2.4
131.08551	22.1
133.10118	23.3
135.08063	6.1
135.11659	16.8
137.09627	4.8
137.62515	1.9
143.08577	6.1
145.10097	21.7
147.11691	18.8
149.09650	8.4
149.13255	10.9
151.11192	2.5
153.09142	2.7
155.01036	2.5
155.08569	2.0
157.10170	4.8
159.11687	15.1
161.13200	9.8
161.46938	2.0
163.11221	7.6
163.14815	2.4
165.12842	2.3
169.10129	3.7
171.11699	4.5
173.11845	3.6
173.13293	10.2
175.14830	2.4
177.12807	6.4
179.14308	3.9
183.11684	3.7
184.07391	5.1
185.13248	9.3
187.14856	4.4
189.11243	10.1
189.12737	2.2
195.11684	2.5
197.13348	2.8
199.14862	2.4
201.16484	3.3
209.13371	1.9
219.17413	2.2
219.24072	2.1
227.12769	37.8
229.14413	7.3
229.19365	2.5
239.17917	6.1
243.21083	2.9
251.16490	2.2
257.18964	14.2
259.20636	3.7
261.22137	10.7
267.15909	2.4
275.20029	42.6
293.21228	2.9
313.27390	3.7
317.24841	2.4
327.07803	4.4
331.22760	2.5
335.25769	81.5
336.25961	4.0
349.23648	45.2
350.24161	2.6
431.31638	3.5
439.20187	6.5
446.63434	2.2
454.38617	1.9
489.35754	19.9
490.34787	2.8
491.37302	11.0
495.27139	4.2
505.35074	6.8
513.39471	3.0
521.38446	4.6
529.38721	4.8
546.41632	7.1
551.32495	4.3
607.38727	3.0
609.45093	32.5
627.45941	5.8
644.47809	2.7
662.44788	6.5
663.47595	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	663.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.05503	2.2
57.07057	0.8
67.05496	5.5
69.03402	1.2
69.07034	2.1
71.04981	0.7
71.62650	0.7
79.05480	4.4
79.26125	0.5
81.03406	1.5
81.07040	8.3
83.04977	2.3
83.08592	1.9
88.19234	0.4
89.03901	5.6
91.05473	4.7
93.07031	8.2
95.04960	2.4
95.08592	8.6
97.06555	0.7
97.10114	0.5
105.07012	8.4
106.04120	0.5
107.04967	0.5
107.08574	9.8
109.02888	0.6
109.06532	2.4
109.10144	6.8
111.08083	1.0
115.05467	0.5
117.03365	15.2
117.06997	1.9
119.04900	0.6
119.08563	10.6
121.06494	0.8
121.10126	5.7
123.08031	1.3
123.11672	1.7
125.09628	2.8
125.20532	0.4
126.02499	0.4
127.03879	0.5
127.07534	1.5
128.06142	0.7
129.06963	1.3
131.08571	5.3
133.06444	0.4
133.10106	7.2
134.03633	1.1
135.04375	2.3
135.08047	1.0
135.11671	2.6
137.09592	1.1
142.07689	0.7
143.08560	3.2
144.09438	0.6
145.02831	42.9
145.10088	6.9
147.04370	1.5
147.11678	4.1
149.05963	6.3
149.09627	0.7
149.13234	1.0
151.11121	0.6
153.09088	0.8
155.08533	1.2
157.10110	4.5
158.05899	0.5
159.11662	6.5
161.13232	3.3
163.03880	1.5
163.11151	1.1
163.14819	1.0
165.05469	0.5
165.12798	0.7
169.10075	1.6
170.10901	0.5
171.11632	3.6
173.13237	5.0
175.11237	0.5
175.14771	2.8
177.05444	100.0
177.16394	0.8
178.05759	0.8
181.10059	0.6
183.11653	2.1
184.07259	0.9
185.13239	6.4
186.05486	3.0
187.14796	6.2
189.16389	2.0
191.14261	0.8
193.15782	0.8
195.06494	9.2
195.11697	1.1
197.13164	2.6
199.14803	4.3
201.16319	5.4
203.14339	0.7
203.17940	1.2
205.15805	1.3
209.13222	1.0
211.14766	1.7
213.12677	0.8
213.16356	5.5
215.14290	0.8
215.17932	1.7
217.04922	0.5
217.15875	1.0
219.17416	2.4
225.16219	0.6
227.17896	1.1
229.15948	0.7
231.17436	0.6
233.15076	0.6
237.16461	0.6
239.17821	1.1
241.19507	0.5
243.17326	0.6
245.15289	0.8
247.16849	1.1
253.19501	0.8
259.16882	2.4
267.20901	0.8
277.19489	0.5
387.30014	1.1
393.27908	0.6
405.31424	8.7
407.33148	0.6
415.29980	0.9
421.31198	0.7
433.31097	3.5
441.33713	0.6
451.32010	9.5
541.92352	0.5
596.63916	0.5
663.37518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24736	4.1
55.05505	37.5
56.62585	4.0
57.03415	16.7
57.07058	16.1
58.74857	5.1
61.07280	4.4
65.03937	5.0
67.05494	81.4
69.07052	29.4
70.20431	21.6
71.04954	4.9
79.05485	67.3
81.03388	5.2
81.07050	63.0
83.08597	15.6
85.06531	5.8
85.44878	4.5
87.04465	61.1
91.05462	60.7
93.07033	78.4
95.04939	11.2
95.08604	65.3
96.70595	4.6
97.10111	5.5
105.07019	63.9
107.08591	40.2
109.10128	20.6
117.06980	26.0
119.08563	46.3
121.10145	25.8
123.11718	12.3
129.07001	15.5
131.08531	39.2
133.10106	27.0
135.11664	16.7
143.08556	20.6
145.10091	38.2
147.11639	20.4
149.13232	8.6
155.08548	15.6
157.10085	18.7
159.11665	16.9
161.13286	12.6
169.10143	20.4
171.11659	17.1
173.13251	11.5
175.14819	7.5
181.09990	8.9
183.11673	14.5
184.07335	7.2
185.13257	11.8
195.11700	11.8
197.13293	11.8
199.14824	7.2
209.13251	6.6
211.14798	10.2
213.16371	8.4
225.16373	5.3
235.14664	5.5
252.15967	8.8
257.18997	8.6
259.20499	8.7
288.37881	7.0
333.24222	11.2
349.24948	6.0
351.26700	5.7
402.57281	5.6
435.32321	5.2
447.32529	5.7
491.36771	6.7
495.34518	5.7
499.72546	4.7
501.35919	4.8
517.40619	7.8
521.40747	16.0
535.41504	5.4
591.43707	9.6
592.44592	5.1
609.45135	100.0
610.45490	4.9
644.41833	5.4
662.44727	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	662.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
53.10136	0.3
55.01854	0.9
55.05495	3.9
57.03418	0.9
57.07063	11.5
60.08145	0.3
60.58038	0.3
65.03931	0.3
67.05486	8.3
68.48930	0.3
69.03415	0.6
69.07053	4.3
71.04972	0.7
71.08614	8.0
71.62635	0.4
73.02883	0.7
73.10585	0.3
79.05475	7.9
81.03391	0.6
81.07040	10.2
83.04946	1.1
83.08130	0.5
83.08601	6.8
85.06531	0.5
85.10168	5.3
86.09695	1.1
87.04456	4.3
87.35191	0.3
89.06017	0.4
91.05464	3.0
91.57971	0.3
93.07024	12.1
95.04956	2.7
95.08587	19.6
97.02887	1.2
97.06506	1.1
97.10139	1.5
98.98445	0.9
99.04446	1.4
99.11726	0.4
105.04534	0.4
105.07014	3.3
107.04933	3.3
107.08577	9.5
109.06495	0.8
109.10140	4.7
111.04424	0.7
111.08076	0.6
111.11652	0.3
117.06997	3.7
119.08544	4.7
121.06475	2.8
121.10114	4.8
123.11690	1.0
124.99954	0.9
125.05968	1.1
126.96230	0.3
130.07722	0.9
131.08592	0.6
133.08592	0.3
133.10124	1.4
135.08037	1.1
135.11661	19.4
136.11964	0.4
137.13205	0.6
139.07526	0.6
143.08475	0.4
145.10094	10.8
153.12714	0.7
155.01007	0.9
163.11148	24.4
174.55113	0.3
178.08617	0.3
181.12172	3.7
184.07303	4.3
209.11745	0.5
217.59314	0.3
224.16432	0.5
227.12732	24.9
228.13074	0.5
239.23550	0.6
252.15907	4.3
258.28702	0.3
282.27774	2.0
283.15295	3.0
313.27292	1.6
363.12018	0.4
424.17255	0.4
426.75455	0.4
454.29401	0.5
521.38269	100.0
522.38623	6.2
547.39984	0.3
662.39813	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	662.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.2
55.01852	4.8
55.05507	25.3
56.74494	2.1
57.03442	17.0
57.07070	12.8
60.55141	2.4
65.03936	3.8
67.05496	87.5
67.22485	2.2
69.03417	2.7
69.07069	28.8
69.31416	27.1
71.04979	4.4
79.05485	67.8
81.03402	5.1
81.07048	100.0
83.04974	9.8
83.08616	17.5
85.06547	3.3
87.04465	41.6
91.05470	48.8
93.07035	74.9
95.04948	13.9
95.08598	51.1
97.06525	9.3
97.10165	5.7
98.20765	4.5
98.98450	3.0
99.08065	3.5
105.07011	35.0
107.04952	4.2
107.08588	43.4
109.06506	8.6
109.10139	23.6
111.08044	3.7
117.07004	16.3
119.08576	30.8
121.06504	5.7
121.10131	33.7
123.08068	5.3
123.11716	5.9
129.06981	7.2
131.08571	22.3
132.86684	2.2
133.10127	24.1
135.11691	24.9
143.08551	6.5
145.10106	15.5
147.11661	9.9
149.09612	7.9
149.13264	12.2
151.11156	2.9
155.01051	2.8
157.10089	4.9
159.11662	14.7
161.13237	8.1
163.11150	8.2
165.12743	2.3
171.11789	3.3
173.13251	6.9
184.07312	3.4
185.13191	2.2
195.13751	5.6
197.13260	3.0
225.16730	2.5
227.12733	2.8
239.18123	2.7
247.20609	4.1
251.16263	3.5
255.15906	9.4
257.19009	5.2
259.20663	3.3
261.22000	6.1
269.17395	13.9
275.20062	16.9
277.21579	3.5
309.20602	2.9
335.25757	57.4
349.23669	13.0
367.24948	3.4
459.21399	3.9
491.37491	13.2
515.37207	11.9
521.38385	6.1
529.38904	57.5
530.38867	3.2
547.27240	4.8
569.41956	6.6
609.45020	10.1
662.44659	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	662.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24508	0.1
50.72155	0.1
55.05492	0.4
56.05027	0.6
57.03419	0.3
58.06614	0.5
59.07384	0.2
60.08157	6.4
61.02926	0.1
61.09373	0.1
67.05499	1.0
69.03425	0.2
69.07059	0.4
69.27480	1.0
70.06554	0.2
71.04974	0.2
71.06971	0.1
71.07365	3.0
79.05489	1.0
81.03417	0.7
81.07047	1.1
83.04955	0.4
83.08614	0.2
85.02895	0.4
85.06523	0.2
86.09695	30.8
87.10020	0.3
91.05475	0.8
93.07030	1.1
95.04950	0.5
95.08594	0.4
97.02865	0.1
97.06519	0.4
97.10168	0.2
98.98455	2.5
99.04451	0.1
104.10730	2.6
105.07016	0.6
107.04934	0.2
107.08587	0.5
108.08887	0.1
108.11898	0.1
109.02926	0.1
109.06499	0.2
109.10155	0.3
111.08073	0.1
116.99464	0.1
117.07064	0.1
119.08563	0.7
121.10130	0.4
123.04412	0.2
123.11652	0.1
124.99989	19.9
126.00343	0.1
129.07005	0.2
131.08563	0.4
133.10094	0.4
134.10539	0.1
135.08002	0.2
135.11664	0.7
137.09583	0.1
139.03864	0.2
143.01048	0.4
145.10165	0.4
147.04410	0.2
147.11681	0.4
149.09615	0.1
151.07475	0.1
151.11160	0.1
153.01839	0.2
157.10072	0.2
159.11716	0.1
163.11168	0.2
165.12692	0.1
166.02634	0.2
175.11185	0.2
177.05458	0.2
181.86751	0.1
184.07320	100.0
185.07672	1.2
191.03510	0.1
191.10654	0.1
193.12267	0.3
194.87190	0.1
211.13292	0.3
247.73506	0.1
255.15860	0.8
267.15897	0.5
285.16974	0.4
315.19302	0.1
319.19229	0.1
375.18237	0.1
447.27118	0.8
452.24005	0.1
465.28384	1.4
644.36066	0.2
653.33606	0.1
662.36597	12.1
663.36932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01850	1.6
55.05259	0.8
55.05504	12.7
57.03428	15.9
57.07042	1.1
60.08149	1.1
61.02922	3.8
65.03910	1.6
67.05494	35.5
69.03397	3.5
69.06712	1.0
69.07058	12.6
71.01330	2.5
71.04980	5.5
73.02901	2.1
79.05479	35.2
81.03403	45.5
81.07042	25.0
83.04971	14.8
83.08607	15.6
85.02416	1.3
85.02891	18.0
85.06504	2.4
86.09690	2.8
91.03925	1.3
91.04890	1.0
91.05468	25.8
93.07027	34.7
93.07618	1.8
95.04954	19.8
95.08589	9.3
97.02869	3.5
97.06518	9.3
97.10147	9.4
98.21525	1.3
99.08070	1.5
99.52122	0.8
103.72633	0.8
105.07017	15.3
107.04312	1.0
107.04929	5.6
107.08578	22.6
108.08918	0.8
109.06477	3.9
109.10123	5.1
111.04436	1.3
111.08073	8.7
113.05982	1.5
113.64021	0.7
117.07014	2.6
119.08560	15.3
121.06485	2.4
121.10126	11.1
123.08029	2.1
123.11689	1.4
124.99989	1.3
125.09605	2.8
129.06990	8.3
131.08536	7.7
133.06474	1.9
133.10101	8.8
135.08066	1.2
135.11668	37.5
137.09595	2.4
142.07773	0.9
145.10129	5.6
147.08046	2.7
147.11665	11.0
149.09593	3.8
153.12685	1.3
157.10106	13.0
163.11121	4.5
165.12694	2.0
175.11165	11.6
181.12199	7.4
184.07327	9.0
193.12221	33.6
199.13246	1.5
211.13263	46.4
212.13724	0.9
249.14847	1.4
255.15874	77.0
256.16312	2.6
267.15863	26.4
285.16922	30.5
325.43781	0.8
350.76773	0.8
373.95096	1.0
403.24753	1.0
421.25897	2.6
429.26282	1.1
447.27353	79.0
448.27722	4.1
458.15579	0.9
465.28427	100.0
466.28726	5.0
506.22546	0.8
630.22748	1.6
662.24902	2.9
662.35944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.1
55.05499	0.5
56.05023	0.6
57.03423	0.4
58.06611	0.5
59.07376	0.1
60.08153	5.8
61.02902	0.1
65.03926	0.1
67.05493	1.1
69.03430	0.2
69.07050	0.5
69.75519	0.1
70.06566	0.2
71.04954	0.2
71.07361	2.6
79.05480	1.2
79.16392	0.1
79.46998	0.1
81.03414	0.7
81.07052	1.1
83.01286	0.1
83.04964	0.4
83.08607	0.3
84.04536	0.1
85.02882	0.4
85.06532	0.2
86.09691	30.4
87.10020	0.4
91.05457	1.0
93.07033	1.1
94.73560	0.1
95.04950	0.6
95.08602	0.6
97.06526	0.3
97.10146	0.1
98.98450	2.7
99.08108	0.1
104.10730	2.9
105.07019	0.7
107.04932	0.3
107.08586	0.9
109.06488	0.3
109.10138	0.6
111.04450	0.2
111.08080	0.1
117.07029	0.3
119.04903	0.1
119.08540	0.6
120.08942	0.1
121.06514	0.2
121.10132	0.6
123.04362	0.1
123.08022	0.1
123.11705	0.2
124.99985	20.4
126.00305	0.2
127.03901	0.1
128.06227	0.1
129.06972	0.2
131.08542	0.5
133.10089	0.5
135.08034	0.2
135.11652	0.8
139.03853	0.1
143.01031	0.4
143.08560	0.1
145.02849	0.1
145.10114	0.4
147.04347	0.6
147.08044	0.1
147.11644	0.6
149.09610	0.4
149.13251	0.2
153.01778	0.4
154.02199	0.1
157.10101	0.4
159.07980	0.1
159.11681	0.2
163.03845	0.3
163.11154	0.2
165.05492	0.1
165.12712	0.1
169.08737	0.1
169.10193	0.1
171.02846	0.4
175.11179	0.3
177.05438	0.2
181.12262	0.2
184.07309	100.0
185.07658	1.2
191.03401	0.1
193.12196	0.5
211.13243	0.2
255.15901	1.1
256.15436	0.2
267.15909	0.8
268.16272	0.1
285.16919	0.3
289.07083	0.3
290.07483	0.3
345.72095	0.1
401.75864	0.1
419.28152	0.2
447.27271	1.4
465.28290	1.4
466.28339	0.1
468.23831	0.2
644.35657	0.3
662.36530	11.7
663.36896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03930	0.7
55.01859	1.5
55.05498	2.5
57.03437	1.0
61.02918	1.3
61.68202	0.5
65.09954	0.6
67.05498	4.4
68.99764	1.1
69.03123	0.7
69.03423	8.7
69.07054	5.3
70.11423	1.3
70.11832	2.3
71.04974	0.6
73.02900	2.1
76.44221	0.6
79.05470	3.6
81.03406	2.9
81.07047	6.2
83.04986	1.4
83.08599	1.1
85.02888	7.1
91.05457	5.6
93.07022	5.8
95.04942	2.8
95.08595	10.7
97.02885	3.8
97.06454	0.7
99.04432	0.6
103.05446	0.6
105.03379	2.1
105.07021	6.8
107.04922	0.8
107.08581	7.6
109.02845	2.0
109.06499	1.2
109.10134	7.3
115.05470	0.7
117.06989	1.2
119.04929	4.5
119.08570	20.5
121.02832	0.9
121.06468	3.3
121.10123	7.4
123.04414	45.1
123.08037	0.8
123.11683	3.4
124.04787	0.8
125.05965	0.9
127.03912	3.1
130.05013	0.7
131.04828	0.7
131.08568	1.5
133.06450	1.0
133.10118	27.6
135.04410	2.1
135.08022	1.7
135.11676	10.2
137.05933	3.0
137.09604	2.5
137.13239	1.5
139.03896	3.7
139.11137	0.7
141.05446	2.3
145.06488	1.2
145.10132	2.1
146.10867	0.8
147.04393	22.3
147.08072	0.8
147.11668	3.7
148.04836	0.7
149.05942	4.8
149.13237	3.4
151.03885	9.9
151.07527	1.7
151.14832	0.7
153.05472	5.3
158.10869	0.9
161.05997	4.9
163.03864	1.5
163.07524	5.1
163.14796	0.8
165.05457	100.0
165.09157	1.7
166.05829	1.7
167.07001	5.4
173.05949	1.9
173.13240	3.0
175.07513	3.5
175.14807	72.5
176.15179	0.9
177.05460	12.8
179.07004	5.7
181.04961	1.9
189.05446	6.9
191.06999	26.5
191.14221	0.8
193.05025	0.7
193.08585	10.8
193.15865	16.9
195.06500	2.3
199.07558	0.7
203.07056	2.3
205.08640	3.0
207.06506	9.1
207.09961	0.8
215.07019	0.8
217.08430	1.0
219.10149	1.9
221.08047	0.9
229.08652	0.9
231.06494	0.8
231.10078	0.8
233.08080	1.6
233.11749	2.0
243.10181	1.5
245.11726	1.1
257.11749	2.5
261.07715	0.7
271.13513	0.9
273.07413	1.1
285.07498	1.4
289.08344	0.6
291.08624	1.4
299.09109	6.6
303.08533	4.1
313.17935	36.3
314.18304	0.7
317.10156	62.8
318.10657	1.4
325.10632	1.7
325.17883	0.7
327.11969	1.0
329.10214	1.8
331.18994	38.6
337.11316	0.7
341.10132	3.1
343.11633	3.7
343.18661	0.9
386.12946	1.2
446.08975	0.6
447.21634	4.1
461.14255	1.7
465.16568	1.3
465.22708	14.3
475.23508	0.8
479.15466	2.1
481.15857	1.0
483.23737	11.9
493.24316	2.3
645.29480	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.01852	1.9
55.05476	2.3
57.03412	1.1
57.07047	1.3
61.02905	0.7
65.03895	0.6
67.03035	0.6
67.05488	4.7
68.99770	1.2
69.03072	0.7
69.03416	8.7
69.07058	6.2
69.87867	2.2
69.88295	1.0
71.04938	0.7
77.03951	0.5
79.05461	2.7
81.03419	2.6
81.07043	6.9
83.04958	1.0
83.08581	1.4
85.02428	0.6
85.02895	7.2
91.05471	5.4
92.88062	0.5
93.03384	0.6
93.07027	4.3
95.04929	2.4
95.08046	0.9
95.08595	10.8
97.02886	3.1
97.06489	0.8
99.04427	1.4
103.05453	0.6
105.03400	0.7
105.07024	8.1
105.82935	0.6
107.04929	1.7
107.08580	7.5
107.65113	0.5
109.02857	1.8
109.06477	1.4
109.10140	8.0
111.04421	1.1
111.11714	0.6
115.05458	0.6
117.06984	1.6
119.04932	5.9
119.08566	27.3
121.02853	0.7
121.06480	2.8
121.10133	5.9
123.04414	46.6
123.08059	1.6
123.11691	2.9
123.47652	0.5
124.04762	0.7
125.06002	1.3
127.03877	1.6
131.08530	1.3
133.06470	0.7
133.10118	32.3
135.04362	2.1
135.08083	1.2
135.11668	9.9
137.05988	3.6
137.09579	4.8
137.13199	1.4
139.03885	5.8
139.11139	0.6
141.05417	2.6
145.06509	0.7
145.10091	2.6
146.10774	0.5
147.04385	23.7
147.07927	0.5
147.11676	5.5
148.04736	0.7
149.05980	4.5
149.09656	0.7
149.13261	2.6
151.03885	15.5
151.07518	1.5
151.14783	1.2
153.05423	6.3
157.10217	0.5
159.07956	0.7
159.11665	1.1
160.12416	1.0
161.05954	5.6
163.03857	2.2
163.07538	3.6
165.05455	91.1
165.09073	1.6
166.05763	1.4
167.06999	5.7
173.05946	1.5
173.13228	2.3
175.03864	0.6
175.07570	3.1
175.14801	100.0
176.15121	1.5
177.05450	13.2
177.07033	0.7
179.06996	7.2
181.04936	1.6
187.07547	0.8
189.05443	6.9
191.07011	19.6
193.04959	1.7
193.08598	10.5
193.15855	22.2
193.17621	1.1
195.06477	2.8
203.07018	0.9
205.08598	2.4
207.06490	8.1
211.08664	1.3
213.10219	1.3
215.07037	1.2
217.08536	1.0
219.06392	0.8
219.10085	1.5
225.10222	1.3
227.11757	1.0
229.08582	0.8
231.06621	1.4
231.10054	0.7
233.11638	1.1
239.11816	1.1
241.09782	0.9
245.12863	0.6
249.07602	1.0
252.09052	0.7
253.09669	2.1
255.11284	1.5
257.11829	1.3
267.11206	2.3
271.13385	0.8
283.10693	1.4
285.07571	1.3
285.12341	0.9
291.08554	1.7
295.10764	2.0
299.09152	5.2
301.11673	2.8
303.08594	9.5
313.12006	8.0
313.17914	24.2
317.10159	58.1
318.10336	1.3
323.09683	0.8
325.10776	1.7
329.10706	2.2
331.18997	29.4
341.10355	4.0
343.11682	3.5
345.13297	0.8
361.13861	5.6
373.13953	2.5
447.21729	2.4
461.14294	1.1
465.22665	8.7
479.15060	3.2
483.16818	0.9
483.23758	16.0
484.24310	0.8
493.24261	2.5
511.17462	0.8
517.09491	0.7
522.68640	0.6
603.20367	0.8
631.19287	4.4
663.21637	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	661.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08376	0.8
57.03413	0.8
58.40633	0.8
60.10773	0.8
60.55753	0.8
63.13883	0.9
65.03910	1.3
67.05490	1.6
69.03419	1.9
69.07032	2.4
70.21773	3.6
75.38734	0.9
79.05471	2.9
80.04986	2.5
81.03394	2.0
81.07041	4.3
82.06555	1.6
85.02884	2.3
85.38508	1.0
86.09671	1.9
91.05461	3.6
92.71626	0.9
93.07039	5.7
94.06550	8.7
95.04928	2.2
95.07298	4.6
95.08576	3.3
96.08128	14.1
97.02872	1.5
97.06498	2.9
105.07023	1.8
107.08562	3.9
108.04397	1.2
108.08105	12.1
109.10139	1.9
110.09665	24.3
110.69505	1.3
116.04958	2.6
119.08549	1.6
120.04468	4.9
120.08092	18.5
121.06443	1.2
121.10140	1.8
122.06013	4.5
123.04417	5.4
123.08064	0.9
124.07565	7.2
124.99951	1.4
125.09609	1.7
127.03888	1.6
131.08554	1.1
133.10110	2.1
134.06021	1.4
135.08064	1.9
135.09114	0.9
135.11633	1.0
136.07565	9.4
137.09569	1.4
138.05496	4.8
138.09117	40.0
139.03867	1.5
142.24547	1.0
144.04417	7.1
145.10095	1.3
146.06010	4.6
147.04402	3.6
147.11610	1.1
148.07555	7.5
151.03870	4.3
152.07037	1.9
153.01758	1.1
154.08572	1.1
160.03970	1.8
161.13315	1.0
162.05467	5.6
163.03818	1.1
163.11125	1.6
164.07082	2.0
165.09096	1.1
166.04922	2.1
166.08615	61.9
167.07050	3.7
172.03914	44.3
172.05412	1.7
173.04349	1.1
173.13193	0.9
174.05489	1.8
176.07079	2.0
177.05429	2.3
178.05000	2.0
181.04900	2.1
184.07396	4.8
184.09819	1.1
185.07774	1.0
190.04950	14.6
191.07007	1.1
204.06538	59.0
205.06822	1.3
211.08710	1.9
212.09343	2.2
213.10199	1.4
222.09235	1.2
222.11484	2.1
223.08667	1.2
224.09377	1.9
225.10132	4.6
227.11746	6.2
235.08743	1.0
236.09216	1.7
237.10219	9.4
238.10939	1.7
239.11797	3.2
241.09689	2.7
245.12830	2.0
247.14522	2.0
249.10216	1.4
251.08189	2.2
251.11749	10.5
252.08986	1.4
252.12497	1.2
253.09732	5.9
253.13361	1.4
255.11200	4.4
257.12946	1.4
263.11758	1.2
265.09720	15.5
266.10513	3.4
267.11255	4.1
268.08331	1.3
269.12775	4.9
271.10699	5.6
273.12283	7.1
278.06577	1.8
279.11270	8.8
280.08600	1.8
281.09372	1.6
281.12778	2.2
283.10602	5.1
285.12268	2.6
287.13846	4.6
293.09180	16.1
294.09897	4.4
295.10596	2.5
297.12317	6.8
299.10236	2.5
299.13641	2.3
303.08624	4.0
307.10794	6.5
309.12372	2.3
311.10144	2.9
312.11151	2.3
313.03143	1.1
313.11646	6.5
323.10168	3.7
325.11768	21.4
327.04953	2.9
335.10327	8.1
339.13422	1.8
340.10544	1.7
341.11197	14.4
342.12347	1.3
343.12933	2.7
353.11237	11.5
355.13165	1.4
356.13943	1.9
357.14392	23.4
358.15176	1.8
367.12720	1.3
370.15485	1.9
372.17163	1.5
373.13855	10.4
385.13858	6.5
390.18100	1.1
395.07617	1.6
398.15063	3.5
399.15875	6.2
402.18011	1.0
414.18433	1.6
415.14261	1.3
416.15652	4.6
434.20718	1.4
435.16763	1.1
446.16925	3.7
458.17108	6.3
460.18524	3.5
462.20224	1.3
465.18683	4.7
478.19681	8.4
488.18091	7.2
490.19684	3.2
492.21127	2.4
506.19165	100.0
507.19366	5.4
510.22421	4.6
520.20886	7.9
521.21265	2.7
538.21802	37.4
539.21619	1.2
569.23737	1.2
581.74243	1.1
611.24908	29.5
612.24628	1.8
629.25677	2.5
643.27142	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	661.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46260	0.5
53.03936	0.6
55.01851	0.7
55.05496	3.4
57.03421	0.8
61.02911	1.1
65.03919	0.7
67.05510	2.8
68.99785	1.4
69.03421	21.2
69.07051	1.6
70.57090	1.8
71.04974	0.6
79.05482	1.7
81.02962	0.5
81.03400	2.5
81.07049	4.6
82.06541	1.0
83.04981	1.1
83.08607	3.4
85.02899	10.9
85.06532	1.2
87.04455	0.9
88.38345	0.5
91.05491	2.6
93.07020	2.7
95.04958	2.2
95.08601	3.9
97.02883	3.9
97.06504	1.3
98.21437	0.6
99.04466	1.0
100.07589	1.3
100.10596	0.5
100.11242	10.7
100.88212	0.5
105.03374	1.1
105.07023	2.4
107.04935	1.3
107.08585	5.0
109.02863	1.3
109.06485	2.4
109.10106	0.9
110.06030	1.0
111.04429	3.3
112.07631	0.8
119.04934	2.2
119.08556	2.6
121.06471	2.5
121.10128	5.3
123.04418	45.4
123.08047	1.4
123.11692	8.2
125.05999	0.6
125.09614	5.7
126.42548	0.5
127.03911	1.9
128.07063	1.3
131.04927	0.7
131.08571	2.0
133.06496	1.2
133.10132	2.1
135.04431	1.0
135.08040	3.6
135.11685	2.0
137.02333	0.6
137.05946	1.2
137.09590	0.8
139.03886	70.0
139.08653	0.9
140.06989	0.8
141.05444	2.7
145.05005	1.2
145.06221	0.5
145.10097	1.2
147.04395	7.0
147.11705	1.8
149.05960	5.6
149.09604	1.7
149.13272	1.4
151.03894	1.9
151.11174	4.0
153.05452	2.0
153.09108	2.1
158.10904	0.6
161.05977	2.9
163.03909	1.6
163.11142	1.2
163.14807	1.7
165.05457	59.3
165.12743	2.3
167.07019	4.6
167.10655	1.2
173.13251	7.5
177.05452	61.9
179.07056	3.6
181.04938	2.5
182.15363	6.3
189.05446	15.8
191.06973	0.7
191.14290	23.3
201.05493	0.7
205.04868	0.8
207.06509	26.6
209.08057	1.1
209.15184	22.6
210.14848	7.0
212.85332	0.5
219.06525	1.0
226.19107	1.6
231.06519	0.9
233.08092	0.6
243.06506	1.2
273.07593	2.5
291.08554	2.0
292.07608	0.6
299.09113	85.1
300.09433	1.6
309.09653	0.6
317.10196	6.6
323.09134	1.8
326.28214	0.9
329.17413	2.3
336.22919	1.4
341.10260	3.6
347.18491	100.0
348.18805	2.5
359.11276	1.1
359.18488	3.9
365.10052	1.3
385.12894	0.7
389.19543	0.7
436.31616	0.6
443.13248	1.4
452.35809	1.4
463.21066	1.1
481.22211	4.0
491.22717	2.8
499.23105	1.6
509.23965	4.3
528.15759	0.6
562.39612	0.7
661.50037	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	661.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03898	0.6
55.05499	1.7
57.03417	0.7
60.08150	1.1
67.05506	2.8
67.10242	0.6
69.07060	2.1
70.06561	0.9
71.04968	0.7
71.62832	0.8
79.05486	2.3
81.03416	2.4
81.03893	0.7
81.07063	3.7
83.04977	1.0
83.08611	1.0
85.02885	0.9
85.06541	0.7
86.09713	3.0
87.10040	0.8
87.14864	0.7
91.05478	2.7
93.07028	3.6
95.04971	2.2
95.08589	3.1
97.06512	1.4
98.98457	0.9
105.07027	2.6
107.04967	0.7
107.08589	2.9
109.06519	0.7
109.10150	2.1
117.07025	0.9
119.08564	1.4
121.06512	1.2
121.10124	1.4
123.04427	0.9
124.35130	0.6
125.00004	1.8
125.09602	0.9
127.03992	0.6
129.06984	0.7
131.08560	0.7
133.10156	2.1
135.08005	0.9
135.11649	1.1
143.08606	0.7
145.10146	0.9
146.22719	0.7
147.04407	1.6
147.11678	1.4
147.80188	0.6
149.09682	0.7
153.01820	1.7
157.10147	1.3
159.11711	1.0
177.05537	1.3
184.07326	11.2
185.07700	1.7
209.07933	0.6
273.07574	1.6
285.16968	0.7
285.40829	0.6
394.17694	1.1
401.16415	0.9
416.14484	1.2
417.15958	1.4
419.17493	1.1
425.16296	0.7
428.15015	0.9
429.15436	6.1
430.16370	2.8
431.17163	6.3
432.18359	1.3
435.17911	1.5
442.16870	1.3
443.18195	3.3
444.17969	10.0
445.18829	3.5
454.16672	3.1
455.17047	2.7
456.18256	3.1
457.14389	16.0
458.14890	1.1
458.20435	0.9
459.16367	0.9
467.18015	0.7
468.18420	1.6
469.19095	5.2
471.15845	8.0
472.17343	26.0
473.18253	3.1
474.19275	1.2
482.15909	0.9
483.16336	1.4
486.15103	0.8
490.18423	0.9
496.17529	1.2
497.18060	6.2
498.19180	0.7
500.17035	2.5
501.17789	1.4
502.18411	0.9
503.19031	1.2
514.19489	0.7
515.19397	4.5
516.19733	1.3
527.19299	1.4
528.20105	1.0
531.22498	9.6
556.19421	4.4
559.21838	68.4
560.22021	6.2
577.23517	1.8
587.21301	5.9
597.19952	1.1
618.23132	1.8
619.23962	79.1
620.23755	5.9
629.22424	6.4
643.24890	1.3
661.24994	100.0
662.25287	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	661.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04647	0.3
53.03931	0.6
55.01855	2.9
55.05494	1.1
57.03418	1.0
57.07064	0.3
58.14550	0.2
60.08142	0.4
62.84328	0.2
63.48943	0.2
63.51197	0.2
65.03924	0.4
67.01517	0.4
67.01852	5.9
67.05486	2.0
68.99768	2.0
69.03414	3.0
69.07057	2.9
71.04987	1.9
71.05331	0.4
74.82420	0.2
76.87231	0.2
79.05473	2.8
81.03400	6.1
81.07041	5.6
83.01310	0.4
83.04959	1.0
83.08617	0.4
85.02894	3.0
85.06532	1.9
86.09687	1.3
91.05464	3.2
93.03368	0.3
93.07029	7.9
93.07612	0.5
95.04958	2.1
95.08588	3.1
97.02863	1.8
97.06524	2.6
99.04440	3.1
99.08084	0.3
101.06003	0.3
103.05408	0.3
105.06367	0.4
105.07011	5.8
107.04958	2.6
107.08572	11.0
108.08906	0.3
109.02856	4.7
109.06504	3.1
109.10141	1.0
111.00780	0.6
111.04420	0.5
111.08058	1.5
113.05981	1.1
117.07002	1.0
119.04913	4.3
119.08543	2.6
121.02850	0.8
121.06487	5.7
121.10120	8.2
123.04386	2.4
123.08038	1.7
123.11684	0.3
124.07700	0.3
124.99978	0.9
125.02333	1.0
125.05973	0.5
125.09615	0.4
127.03888	5.4
127.07515	0.7
129.01831	1.6
129.06926	0.2
130.07762	0.5
131.08539	1.0
133.06438	0.4
133.10104	0.6
135.04391	0.2
135.08029	1.6
135.11650	3.4
137.09547	0.6
139.03841	0.5
139.07547	0.4
139.11118	0.7
143.08553	0.4
145.02858	0.5
145.10100	5.9
147.04381	20.1
147.08003	0.5
147.11632	1.5
147.77177	0.2
148.04753	0.4
149.02266	0.3
149.05971	0.7
149.09586	3.2
151.03880	1.0
151.07533	1.8
152.66823	0.2
153.01796	72.1
153.12685	0.3
154.02110	1.0
159.08002	0.3
159.11679	0.4
161.05988	0.4
161.09581	0.6
163.03851	0.7
163.11151	13.7
164.11386	0.3
165.01764	1.0
165.09097	0.9
165.12692	0.4
167.06982	0.8
167.10640	5.0
169.08572	16.3
171.02855	45.7
172.03197	0.8
173.09605	1.5
175.03876	0.3
175.14951	0.2
177.01869	1.2
177.05444	0.8
179.03328	2.1
179.07001	0.5
181.04956	0.8
181.12199	5.0
183.02841	0.7
184.07288	4.1
185.07669	0.5
185.11673	1.3
187.03870	0.5
189.01753	0.3
189.05431	0.7
191.03418	1.6
191.06917	0.3
191.10632	9.1
195.02853	13.6
207.02795	0.5
207.06490	0.3
209.08076	0.5
209.11681	7.2
209.13620	0.5
210.11790	0.3
215.03271	1.2
219.02818	2.0
227.12729	21.0
228.13042	0.4
231.06470	0.6
233.04446	0.5
233.08026	0.7
237.03809	0.3
243.02866	1.2
255.12344	0.2
261.03928	3.2
269.13632	1.0
273.07513	100.0
274.07837	2.0
277.10742	0.3
279.04849	0.7
285.07367	0.3
289.07043	0.5
297.07520	1.4
306.09253	0.2
309.16852	0.4
311.14890	0.7
315.08521	5.8
317.13712	0.5
335.14783	0.9
339.08499	3.0
353.15945	5.4
363.08572	2.8
367.11725	0.3
371.16956	3.4
381.09598	3.8
385.12668	0.5
399.10559	0.5
411.14563	0.3
478.19794	0.3
499.56726	0.3
506.19412	0.4
538.21625	0.5
629.25525	0.3
661.36151	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01880	0.9
55.05506	6.8
57.03419	1.5
57.07063	15.2
59.14583	0.6
67.05492	18.2
69.07053	5.9
71.04976	0.7
71.08622	11.6
71.62486	0.9
79.05479	16.2
81.03395	2.2
81.07045	17.8
83.04960	3.3
83.08608	5.5
83.50448	0.6
85.06519	1.0
85.10160	5.7
91.05460	12.2
93.07031	15.5
95.04954	6.0
95.08593	15.5
97.06489	1.5
97.10142	2.6
98.98454	1.7
105.07016	10.4
107.04959	1.2
107.08590	4.4
108.08184	0.7
109.06494	1.9
109.10139	6.1
111.08048	0.9
112.17282	0.6
117.06999	2.4
119.08574	6.7
121.10117	2.0
123.08033	1.4
123.11659	1.8
123.60390	0.7
125.09684	0.9
128.06195	0.7
129.07004	4.3
131.08537	1.3
133.10150	3.7
143.08531	2.4
145.10083	3.4
147.11665	8.0
149.13213	0.9
155.01088	1.2
159.11635	1.2
161.09602	1.3
161.13255	2.5
165.63574	0.6
171.11656	5.3
177.97786	0.7
184.07329	0.6
189.12727	1.7
190.34868	0.6
207.13759	5.6
225.14725	1.4
250.17928	1.8
263.49384	0.6
281.17471	1.8
282.27850	1.7
313.27292	1.1
382.52753	0.7
404.17981	1.0
519.40363	100.0
520.40900	4.2
642.41089	7.7
660.44165	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26746	2.0
53.03928	7.0
55.01853	9.6
55.05507	24.7
57.03415	8.7
57.07068	11.8
65.03921	4.2
67.05495	55.3
67.51790	2.2
67.75896	2.3
69.03407	4.0
69.07061	34.7
69.81418	15.1
71.04984	7.1
71.08614	6.5
79.05485	49.5
81.03408	10.0
81.07048	68.6
83.04958	9.0
83.08609	14.3
85.06519	6.8
87.40034	2.0
91.05470	72.7
93.06455	4.7
93.07030	57.5
95.01314	5.8
95.04947	15.4
95.08598	47.4
97.06517	21.1
97.10211	4.9
98.21426	2.8
98.98464	3.6
99.08089	4.5
105.07015	100.0
105.78094	2.2
106.07360	3.0
107.04931	15.0
107.08577	31.9
109.06514	7.1
109.10153	17.1
111.08080	4.6
115.05463	3.8
117.07004	22.8
119.08566	63.0
121.06479	5.8
121.10131	20.5
123.08068	4.4
123.11701	3.9
125.09640	2.9
129.06989	8.6
131.08559	32.0
133.10114	46.2
135.08040	3.4
135.11647	12.8
137.09509	2.1
139.07553	2.7
143.08528	10.5
145.06538	3.5
145.10092	22.2
147.11662	31.5
149.09557	7.5
149.13274	7.4
151.11148	3.6
155.00972	3.8
155.08557	4.0
157.10112	8.0
159.11662	15.1
161.13214	18.9
163.11212	4.9
165.09216	2.9
169.10078	3.2
171.11690	8.6
173.13219	8.2
175.14816	6.4
177.12723	5.2
179.14311	13.3
183.11588	3.8
183.38702	2.6
185.13275	4.1
187.14871	5.0
197.13216	4.7
207.13818	2.8
229.19502	2.6
241.19463	17.8
257.18939	4.2
259.20551	22.8
275.20041	62.6
276.20477	2.5
291.19116	3.9
293.21054	3.0
315.23312	11.7
333.24161	54.4
349.23660	38.4
351.25241	3.6
365.71869	2.2
519.40381	35.7
607.43518	85.8
608.43933	4.2
625.44208	8.2
642.43103	7.7
689.81647	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	660.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85530	0.6
53.03928	2.2
55.01870	0.7
55.05505	5.7
57.03417	0.9
57.07067	12.6
65.03918	0.6
67.05494	16.1
69.07056	6.2
69.41369	0.5
69.41712	5.9
71.04977	0.7
71.08619	10.5
73.06530	0.8
73.90253	0.6
78.32037	0.6
79.05477	17.2
81.03402	2.1
81.06569	1.1
81.07043	18.7
83.04971	3.5
83.08613	4.1
85.10169	5.6
91.05470	13.6
93.07031	14.6
95.04950	6.6
95.08595	16.0
96.08913	0.7
97.06531	1.0
97.10155	3.0
98.21529	1.4
98.98447	2.0
105.04567	0.8
105.07009	9.2
107.04934	2.3
107.08570	5.8
109.06475	1.0
109.10127	4.7
111.08073	0.9
115.05424	0.6
117.06990	3.3
119.08552	7.4
121.06511	0.7
121.10122	2.0
121.31246	0.7
123.08087	1.2
123.11679	1.4
129.06984	3.6
131.08533	1.3
133.10101	3.5
135.11684	1.4
143.08534	1.8
145.10095	2.8
147.08081	0.8
147.11667	8.1
149.13213	0.9
155.00993	1.3
159.11725	0.9
161.09625	0.9
161.13264	2.6
165.09227	0.8
171.11670	6.3
189.12793	2.6
207.13795	5.7
219.66479	0.6
232.16911	1.4
239.23718	0.8
240.80612	0.6
250.18013	2.9
281.17426	2.9
282.27942	2.0
313.27408	1.6
330.14554	1.2
348.15735	0.7
404.18307	1.1
519.40363	100.0
520.40839	4.6
642.41193	16.2
643.42963	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01854	0.8
55.05259	0.4
55.05503	5.6
57.03432	3.8
57.07061	0.7
61.02913	2.5
65.03923	0.9
67.05496	25.3
68.05822	0.4
68.99178	0.3
69.03413	0.7
69.07059	7.7
70.21933	1.2
70.42229	0.2
71.04985	2.0
71.08630	0.5
73.02896	0.9
75.51088	0.2
79.05484	14.8
80.17187	0.2
81.03408	1.9
81.07047	33.2
82.07385	0.4
83.04971	2.4
83.08132	0.5
83.08611	8.3
85.02882	2.3
85.06525	1.9
86.09693	0.8
91.03936	0.9
91.05472	11.3
91.67042	0.2
93.07033	24.9
95.04959	3.3
95.08594	9.7
97.02911	1.5
97.06524	4.6
97.10151	1.4
99.04463	0.3
99.08084	1.1
105.07016	6.6
107.04950	0.9
107.08581	15.7
109.06496	1.4
109.10143	2.5
111.04418	0.4
111.08056	3.1
111.11686	0.3
113.09654	0.4
115.05344	0.3
117.07006	5.1
119.08586	3.7
121.06480	1.4
121.10133	7.3
123.08022	0.6
123.11686	1.9
124.99984	0.3
125.09619	0.8
127.03921	0.6
128.06236	0.3
129.07002	1.6
131.08554	6.8
133.06458	0.3
133.10120	7.4
135.08067	1.4
135.11673	5.2
139.07527	0.3
139.11153	0.5
141.06990	0.6
143.08572	1.7
145.04919	0.4
145.10104	1.8
147.11693	1.6
149.09608	0.7
149.13242	12.6
151.11162	0.8
153.09088	0.3
153.84848	0.3
155.08577	0.7
157.10165	1.3
159.11673	6.3
161.13216	0.4
163.03850	0.4
163.11172	0.5
167.08595	0.3
167.14276	0.4
169.10115	0.9
171.11731	0.8
173.09714	0.3
173.13364	0.6
177.12720	2.9
181.10153	0.4
183.11682	0.6
184.07312	2.9
185.13242	0.5
187.14775	0.4
195.11876	0.5
195.13766	7.0
195.15459	0.5
197.13283	0.5
199.14880	0.5
209.13232	0.6
213.14839	0.7
213.16621	0.4
223.15068	0.3
229.14209	0.4
251.16400	2.0
269.17438	24.8
270.17789	0.6
291.19620	0.4
335.23737	0.7
343.26227	0.6
353.24747	1.5
371.25873	1.5
389.26770	1.0
408.79987	0.3
413.21555	0.4
427.28394	1.0
445.29443	11.8
463.30499	100.0
464.30927	3.6
481.31458	1.0
571.32556	0.3
607.34827	2.9
629.62177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.8
55.01826	1.4
55.05503	5.4
57.03427	4.6
57.07038	1.4
61.02919	3.5
62.12391	0.3
65.03900	1.1
67.05494	26.2
69.03430	1.5
69.07058	8.2
70.06535	0.9
71.01323	0.4
71.04984	2.8
71.08607	0.8
73.02868	1.4
75.04451	0.3
79.05479	15.0
81.03413	2.3
81.07043	36.7
82.07353	0.5
83.04962	2.8
83.08151	0.6
83.08604	8.0
85.02885	3.8
85.06532	2.4
86.46187	0.3
88.07581	0.9
91.03945	2.2
91.05465	8.9
93.07028	25.6
95.04942	2.0
95.08591	9.0
97.02879	2.4
97.06519	6.0
97.10126	0.8
99.04399	0.8
99.08056	1.1
102.09158	0.7
105.07018	4.0
107.04895	0.5
107.08575	14.6
109.02832	0.3
109.06495	1.7
109.10129	2.7
111.08056	3.2
112.23703	0.4
113.05936	0.3
113.09615	0.3
117.07003	4.2
119.08549	1.5
121.06470	0.6
121.09315	0.5
121.10120	8.5
123.08000	0.6
123.11688	2.0
125.09602	0.6
127.03827	0.9
128.04280	0.4
129.07004	0.6
131.08554	4.2
132.08984	0.3
133.10112	6.4
135.07997	1.0
135.11678	5.8
139.11111	0.4
145.04927	0.9
145.10085	0.5
147.11679	0.7
149.02316	1.5
149.09554	0.8
149.13234	13.0
150.02577	0.5
151.11099	0.9
157.10004	0.4
159.10439	0.4
159.11668	6.6
167.14268	0.5
173.13243	0.3
177.12721	2.9
184.07271	0.9
186.57123	0.3
193.04909	1.5
194.05258	0.9
195.05389	0.4
195.13782	7.2
213.14828	1.1
229.14253	0.3
251.16313	1.1
256.26312	0.9
257.26657	0.8
258.26773	0.5
262.22321	0.5
269.17432	42.8
270.17719	0.9
335.25760	0.9
336.26151	1.1
386.09396	0.5
420.63324	0.3
430.11880	0.7
431.12344	0.5
445.29333	0.8
463.30478	100.0
464.30908	4.3
607.34808	0.9
660.36462	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	660.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95282	0.2
53.03942	0.7
55.01867	1.2
55.05505	5.9
57.01740	0.2
57.03430	7.3
57.07061	1.3
59.04988	0.3
61.02911	1.9
65.03922	1.1
67.05494	33.5
69.03431	0.7
69.07058	11.9
69.87521	1.4
71.04977	2.4
71.08613	0.3
73.02910	0.7
79.05481	18.8
81.03413	2.0
81.07045	41.8
82.07396	0.4
83.04970	3.5
83.08605	8.0
85.02898	2.0
85.06532	2.2
91.03938	0.9
91.05466	9.3
93.07028	32.9
94.07336	0.3
95.04960	2.9
95.08588	10.5
97.02898	0.8
97.06516	7.0
97.10167	1.1
98.06822	0.3
99.04456	0.3
99.08072	2.2
99.40463	0.3
105.07013	4.1
105.07658	0.4
107.04937	0.5
107.08578	17.9
108.08910	0.3
108.43362	0.3
109.02850	0.3
109.06498	1.6
109.10140	2.4
111.08063	4.3
111.11700	0.5
112.08340	0.2
113.05991	0.6
113.09637	0.8
117.06987	5.1
119.08598	1.5
121.06522	1.0
121.10121	12.0
123.08021	0.5
123.11677	1.5
125.09673	0.5
127.03880	0.3
129.07007	0.3
131.08539	5.5
131.09486	0.4
133.10117	5.2
135.08049	1.1
135.11674	5.3
139.07529	0.3
139.11174	1.1
143.08519	0.4
145.10081	0.6
147.11667	1.6
149.13234	19.2
150.13896	0.3
151.11162	0.9
152.11504	0.3
157.10144	0.5
159.11667	8.4
165.12677	0.3
167.14284	0.5
177.12729	4.0
184.07356	1.0
186.75427	0.3
188.08403	0.3
195.13768	6.8
213.14876	0.9
246.77858	0.3
251.16460	0.4
253.14412	0.5
267.16049	0.4
269.17435	52.1
270.17786	0.9
323.54010	0.3
441.36414	0.4
445.29248	0.3
463.30481	100.0
464.30954	3.6
607.34558	0.6
653.95624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.4
53.03931	1.8
55.01865	1.7
55.05249	0.6
55.05502	6.6
57.03425	4.8
57.07074	0.7
60.03741	0.4
60.58869	0.4
61.02916	3.1
65.03943	1.0
67.05495	28.8
68.05804	0.5
69.03414	1.5
69.07055	8.4
71.04988	2.7
71.08624	0.5
71.62340	0.4
71.62733	0.6
73.02906	1.3
79.05484	18.0
80.05842	0.5
81.03411	4.4
81.07045	37.5
82.07407	0.5
83.04980	3.5
83.08609	9.0
85.02904	2.9
85.06519	2.3
86.09695	1.6
87.10022	0.4
91.03933	1.2
91.05465	13.5
92.05807	0.6
93.07029	26.4
95.04954	4.0
95.08589	11.7
97.02877	1.6
97.06502	5.2
97.10168	1.3
98.98466	0.4
99.04464	0.7
99.08076	1.2
105.07018	9.5
107.04967	0.9
107.08578	16.2
107.92589	0.3
108.08949	0.5
109.06503	1.6
109.10140	5.1
111.08061	3.6
113.09589	0.5
115.05425	0.4
117.06998	6.1
119.08556	5.2
121.06474	2.1
121.10126	8.8
123.08070	0.7
123.11678	2.3
125.00004	0.6
125.09639	1.1
127.03921	0.5
127.07504	0.5
128.06219	0.5
129.07027	1.9
131.08546	7.0
133.10109	10.4
135.08073	1.4
135.11638	4.5
137.09616	0.8
139.11185	0.6
141.06978	0.8
142.07730	0.5
143.08557	2.6
145.10085	2.4
147.08049	0.7
147.11661	2.8
149.09610	0.5
149.13240	12.6
151.11171	2.0
155.08507	0.8
157.10176	1.4
159.08093	0.4
159.11678	6.0
161.09608	0.6
161.13313	0.8
165.12717	0.8
169.10124	1.4
171.11726	1.0
173.04431	0.5
173.13287	0.6
175.11151	0.5
177.12755	2.9
181.10110	0.6
183.11845	0.5
184.07336	3.6
193.12260	1.2
195.11902	0.6
195.13779	7.0
209.13219	0.5
213.14792	0.6
217.15845	0.4
227.14375	0.5
229.14235	0.5
239.16350	0.5
251.16338	1.9
253.14293	5.0
267.15988	1.3
269.17432	28.1
271.15439	1.1
281.17523	1.4
335.23584	0.5
343.26358	0.5
353.24963	1.9
371.25839	1.8
389.26932	1.6
409.34326	0.5
413.21439	0.7
427.28564	0.9
443.10898	0.4
445.29514	17.6
446.29938	0.9
463.30576	100.0
464.31015	4.1
481.31561	1.4
562.37378	0.5
589.33478	0.6
607.34808	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	660.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01854	1.1
55.05505	5.4
57.03429	6.4
57.07064	1.6
59.04995	0.3
61.02919	4.8
65.03919	1.2
67.05499	29.1
68.05817	0.3
69.03415	2.2
69.07060	10.0
70.03748	0.4
70.06574	1.6
71.04977	2.3
71.08611	0.4
73.02895	1.5
79.05486	15.4
80.05818	0.5
80.76174	0.4
81.03414	2.4
81.07047	39.0
82.07372	0.9
83.04974	3.0
83.08607	8.7
85.02895	5.7
85.06535	2.3
86.03205	0.3
86.09706	0.4
87.04440	0.6
88.07609	1.7
91.03955	3.0
91.05470	9.5
93.07033	27.1
94.07370	0.6
95.04960	2.3
95.08597	10.1
97.02876	3.5
97.06519	5.8
97.10168	0.9
98.03237	0.5
98.20721	0.9
99.04456	0.7
99.08080	1.0
101.02384	0.4
102.09163	1.3
105.07021	3.9
107.04916	0.5
107.08585	15.7
108.08891	0.3
109.02884	0.7
109.06512	1.1
109.10133	2.8
111.04337	0.3
111.08080	2.9
113.09647	0.5
117.06999	4.5
119.08588	1.8
121.06496	1.0
121.10127	9.1
121.11009	0.5
122.10472	0.6
123.08074	0.4
123.11703	2.1
125.09624	0.4
127.03895	1.1
129.06992	0.7
131.08560	5.1
133.10112	6.6
135.08012	1.4
135.11668	5.0
139.07436	0.5
139.11185	0.9
143.08543	0.5
145.04927	1.1
145.10185	0.8
147.11665	1.2
149.02318	2.7
149.03268	0.3
149.09607	0.5
149.13248	13.1
150.02710	1.0
151.11182	1.2
159.11659	6.8
161.13205	0.5
165.67862	0.4
169.10083	0.4
177.12747	2.5
184.07280	1.3
193.04942	2.1
194.05255	0.4
195.05495	0.7
195.13770	7.3
213.14870	1.1
229.14275	0.6
243.21365	0.4
251.16487	1.1
256.26468	1.9
257.26593	1.7
258.26920	0.7
269.17447	41.7
270.17847	0.8
275.20004	0.5
335.25964	1.1
336.26126	1.5
343.07413	0.5
386.09622	0.8
387.10056	0.6
413.21954	0.6
430.12341	1.1
431.12427	1.3
445.29434	0.7
463.30521	100.0
464.30859	4.1
607.34766	0.8
660.36310	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	659.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63192	0.2
53.03935	0.5
55.01851	0.7
55.05500	1.5
57.03413	0.3
57.07049	0.5
60.08144	0.3
61.07155	0.2
61.32621	0.2
65.03940	0.4
67.05167	0.3
67.05492	4.2
68.99766	0.3
69.03416	1.1
69.07057	2.6
70.64428	0.5
71.04954	0.4
73.02888	0.2
77.03910	0.2
79.05470	1.7
81.03403	1.4
81.07043	7.8
82.07396	0.3
83.04956	0.9
83.08593	1.6
85.02882	1.1
85.06538	1.8
86.09703	1.5
87.10062	0.3
91.05462	1.8
93.07027	2.5
95.04956	1.3
95.08591	5.5
97.02866	0.6
97.06504	1.2
97.10146	0.8
99.04449	0.6
99.08061	0.6
105.03345	0.2
105.07016	2.2
105.69256	0.2
107.04929	1.1
107.08566	2.4
109.02843	0.7
109.06488	0.7
109.10134	4.7
109.23046	0.2
111.04404	0.3
111.08064	0.7
111.11703	0.6
117.06953	0.4
119.04909	0.8
119.08552	3.1
121.02853	0.5
121.06475	0.7
121.10126	1.9
122.07244	0.9
123.04391	1.3
123.08059	0.5
123.11687	3.0
124.07561	0.3
124.99980	0.6
125.05977	0.3
125.09572	0.7
127.03870	0.7
127.11150	0.5
131.08528	0.8
133.06445	0.3
133.10138	1.2
135.07988	0.8
135.11655	1.4
136.07520	0.6
137.05956	0.8
137.09586	8.8
137.13216	1.1
138.09097	0.4
139.03877	1.1
139.11118	0.3
143.08490	0.4
145.10081	0.8
147.04353	1.9
147.07996	0.4
147.11623	0.9
149.05963	0.5
149.09573	2.0
149.13242	2.1
151.03880	0.6
151.07512	0.6
151.11084	0.3
153.01793	1.8
153.05382	0.3
153.09070	0.3
153.12733	0.6
155.14302	0.4
157.10103	0.5
159.11705	0.6
161.09537	0.6
161.13254	0.5
163.03859	1.0
163.11186	0.9
163.14705	0.5
164.11591	0.3
165.09084	100.0
166.09419	0.8
167.07005	0.9
167.14296	0.4
171.02835	1.4
171.11612	0.3
171.13779	0.2
172.03848	0.4
173.13226	0.3
175.11211	0.5
175.14809	0.4
177.05457	0.6
177.09084	1.0
177.12738	0.3
179.10674	1.2
179.14294	0.3
181.04910	0.9
181.12201	0.3
184.07321	4.3
185.07874	0.3
187.11067	0.3
189.09114	0.4
190.09805	0.4
191.03400	0.3
191.10606	0.9
193.12318	0.3
195.02870	0.9
198.09207	0.3
201.09207	0.3
203.14328	0.3
204.06558	0.7
205.10382	0.5
205.12215	6.4
205.14169	0.4
207.06583	0.3
207.10117	0.5
207.13803	0.3
209.08069	0.4
211.13300	0.3
219.10147	0.3
219.17577	0.3
223.20479	0.3
225.11113	0.5
231.06332	0.3
243.11122	1.1
245.15453	0.3
259.16873	0.6
266.46365	0.2
267.15829	0.3
271.05988	0.7
273.07474	0.9
285.07416	0.3
285.12350	1.1
286.06595	0.3
287.05423	0.6
289.07022	1.0
289.21570	3.0
289.68567	0.2
291.07608	0.3
291.26834	1.8
297.54126	0.3
301.21555	0.6
303.13348	0.9
309.27829	4.5
315.08356	0.3
425.34149	0.5
443.35135	5.8
453.28394	0.3
461.30182	0.3
461.36331	1.7
479.36981	0.7
497.37939	0.4
536.20142	0.5
609.23065	0.4
627.24481	0.4
659.25708	0.3
659.78784	0.2
660.35071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11400	0.2
53.03938	0.8
55.01866	0.9
55.05496	1.7
55.92176	0.2
57.03426	1.0
57.07064	3.0
59.04987	0.3
60.08155	0.5
65.03925	0.8
67.01845	0.9
67.05495	6.8
68.99785	0.6
69.03416	3.2
69.07056	2.7
71.04986	1.2
71.07367	0.3
71.61892	0.3
74.21199	0.2
77.03942	0.3
79.05482	3.5
80.05003	0.2
80.05843	0.3
81.03407	3.8
81.07043	7.0
82.03738	0.2
82.06562	0.3
83.04964	1.0
83.08607	1.1
85.02889	3.1
85.06528	27.1
86.09702	2.6
89.03907	0.3
89.05708	0.2
91.05468	3.6
91.56427	0.2
93.06451	0.4
93.07026	7.3
93.07613	0.4
94.06568	1.1
94.07342	0.2
95.04950	1.9
95.07329	0.7
95.08591	5.3
96.08108	1.2
97.02882	1.9
97.06519	1.4
97.10147	1.1
97.44236	0.2
98.98439	0.3
99.04443	1.4
99.08083	0.9
103.05444	0.3
104.10725	0.2
105.03358	0.4
105.07015	5.2
106.07349	0.3
107.04372	0.2
107.04936	7.6
107.08577	9.6
108.08128	1.3
108.08817	0.3
109.02856	3.5
109.06484	1.0
109.08965	0.3
109.10139	5.8
110.09685	2.0
110.10406	0.4
111.04420	1.3
111.08081	1.3
111.11716	0.6
115.05401	0.4
116.04967	0.7
117.03399	0.2
117.07011	0.8
119.04897	1.5
119.08556	4.5
120.04494	0.2
120.08076	1.7
121.02847	1.6
121.06487	2.3
121.10114	4.2
122.06005	1.3
122.07271	0.9
123.04427	2.7
123.08064	0.9
123.11671	2.3
124.07568	1.7
124.99995	1.6
125.02321	0.4
125.06022	0.4
125.09610	2.5
127.03886	5.3
127.07557	0.2
129.06938	0.3
130.07680	0.2
131.04968	0.4
131.08560	0.9
133.06453	0.6
133.10106	1.7
134.05998	0.5
135.04375	1.8
135.08028	2.8
135.11670	2.3
136.07544	2.4
137.02293	0.5
137.06017	1.0
137.09590	8.7
137.13202	1.1
138.09111	2.4
139.03879	2.3
139.07523	2.0
139.09459	0.3
139.11150	0.5
141.05504	0.2
141.06841	0.2
141.09013	0.2
143.08537	0.7
144.04440	2.0
145.02849	0.5
145.04951	0.5
145.06468	0.7
145.10114	2.7
146.05998	0.5
147.04382	3.0
147.07957	1.0
147.11655	1.3
148.07518	0.5
149.02322	3.2
149.05975	0.8
149.09619	2.7
149.13225	1.8
150.05438	0.6
151.03889	2.2
151.07538	0.7
151.11172	0.5
151.14847	0.2
153.01804	8.5
153.05438	0.4
153.09042	0.3
153.12724	0.4
154.02126	0.4
155.07173	0.2
155.08533	0.6
157.10103	0.6
159.08009	0.4
159.11662	0.6
160.03905	0.7
161.05917	0.3
161.07118	0.3
161.09602	1.3
161.13239	0.6
162.05472	0.9
162.09875	0.2
163.03886	2.9
163.07515	3.1
163.11147	6.0
163.14796	0.7
164.11560	0.4
165.09081	100.0
166.08502	3.2
167.03407	1.2
167.07013	6.1
169.10136	0.6
170.09634	0.8
171.02864	4.9
171.04187	0.2
171.11577	0.3
171.13811	0.8
172.03911	8.6
172.07509	0.4
172.11168	0.5
173.02299	0.7
173.04442	0.4
173.05972	0.5
173.08235	0.2
173.09569	0.7
173.13205	0.5
174.09038	0.3
175.03844	0.4
175.08675	0.4
175.11092	0.4
177.01802	0.6
177.05450	1.2
177.09103	0.6
177.12738	0.3
177.16270	0.3
179.03351	0.7
179.10643	1.7
181.04912	0.6
181.06462	0.3
181.12236	1.4
183.02881	0.8
183.08008	0.4
183.11620	0.2
184.07315	8.5
187.03819	0.4
187.07495	0.5
187.12309	1.0
189.05431	0.4
189.09055	0.8
189.12738	0.6
190.04965	2.1
191.03455	1.3
191.05266	0.3
191.07030	1.1
191.10634	5.1
191.17900	0.3
192.10921	0.3
193.04968	0.3
195.02856	4.9
197.05884	0.4
197.08261	0.3
198.09114	6.8
199.09097	0.3
200.09218	0.4
200.10793	0.6
201.09085	0.3
203.14284	0.2
203.17825	0.4
204.06534	13.8
205.05055	0.2
205.06862	0.8
205.12224	2.9
207.02875	0.4
207.06490	0.6
207.10081	0.9
209.08134	1.1
209.11682	1.9
209.15074	0.2
211.07649	0.3
212.10765	1.2
215.03410	0.9
215.06973	2.9
215.11774	6.3
216.12180	0.4
217.04929	0.4
219.02852	1.2
219.10046	0.4
221.15401	0.3
225.10898	0.3
226.08594	1.9
226.10812	0.5
227.09241	3.3
227.12822	1.9
228.09158	0.4
231.06534	0.5
233.04382	0.3
233.11626	0.3
237.10036	0.4
239.07018	0.9
239.11737	0.4
240.10439	1.0
241.09830	0.5
241.13287	0.6
242.10495	0.9
243.02864	0.6
243.06561	2.4
243.11247	30.5
244.11665	1.9
245.04454	0.3
245.15340	0.3
251.11786	0.3
253.09709	0.4
255.06493	0.4
255.11293	2.0
256.11853	0.4
257.04279	0.2
257.08057	0.7
257.12851	1.6
261.03961	1.6
265.09357	0.3
265.25381	0.3
267.06488	0.7
267.11316	0.3
269.10193	1.2
269.12778	0.2
271.06003	2.1
271.13245	0.3
273.07516	1.9
273.25787	0.5
274.07816	0.3
275.05402	0.4
279.04913	0.3
279.11270	0.4
279.26822	0.5
281.08429	0.3
281.12018	0.3
283.05960	0.3
284.11578	0.3
285.07849	1.3
285.12292	26.9
286.12659	2.0
287.05383	0.4
289.07001	6.6
290.07565	0.4
291.26712	2.1
293.24673	0.3
295.09695	0.4
297.12158	0.6
297.27789	1.6
299.13422	0.3
301.07007	0.7
301.11804	1.8
301.21576	0.4
302.12433	0.4
303.13336	32.5
304.13687	2.8
305.24265	0.2
309.07523	0.4
309.27698	1.1
313.07013	1.1
313.11823	0.2
315.08786	0.3
317.10016	0.6
317.13705	0.4
319.22607	0.3
325.08063	0.3
325.11835	2.0
327.12335	0.4
329.14612	0.3
331.08035	2.5
331.18799	0.4
335.11111	0.8
335.14862	0.7
337.06793	0.4
343.12811	0.8
353.11893	0.3
353.15857	2.2
354.16315	0.3
355.07950	0.9
357.14423	1.5
358.14966	0.6
359.29404	0.5
369.13080	0.7
370.12988	0.2
371.12494	0.6
379.07779	1.2
397.09091	1.5
415.10025	0.4
418.17456	0.4
425.34164	2.3
430.17673	0.4
443.35138	10.6
461.28934	0.2
461.36353	1.3
462.16324	0.8
467.29816	0.3
470.17294	0.4
474.16339	0.7
476.18134	1.0
479.37140	0.6
488.17871	0.4
494.18893	0.6
504.17136	0.2
583.25250	1.0
599.24707	0.6
609.22662	0.4
623.24304	0.4
627.24524	2.2
641.26141	3.5
642.25848	0.7
659.26569	2.4
659.34662	0.4
660.26062	0.5
660.35901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01858	0.6
55.05505	1.7
57.03416	1.1
57.07067	2.7
61.02905	0.3
61.64656	0.3
62.62552	0.3
64.94707	0.3
65.03934	0.9
67.01844	0.8
67.05495	6.8
68.80440	0.3
68.99770	0.8
69.03422	2.1
69.07060	2.5
70.51225	0.6
71.04973	1.1
73.02927	0.3
74.09711	0.4
74.82469	0.3
76.63707	0.3
77.03912	0.4
79.05485	2.8
81.03407	3.4
81.07048	6.4
82.06554	0.4
83.04954	0.9
83.08591	1.4
85.02885	1.9
85.06532	27.7
86.09674	0.8
89.03927	0.3
90.47124	0.3
91.05466	2.8
93.07030	5.9
94.06546	1.2
95.04958	1.7
95.07326	0.6
95.08017	0.5
95.08595	4.3
96.08106	1.5
97.02881	1.4
97.06520	1.8
97.10142	1.2
99.04444	1.4
99.08076	1.1
103.05452	0.4
105.03379	0.4
105.07024	4.0
106.06559	0.6
107.04943	7.1
107.08573	7.8
108.08135	1.3
108.08801	0.4
109.02866	2.5
109.06496	0.7
109.10139	5.8
110.09676	3.0
111.04422	1.1
111.08063	1.1
111.11703	0.4
115.05425	0.6
116.04954	1.0
117.06990	0.8
119.04920	2.2
119.08564	3.7
120.08102	1.6
121.02840	1.5
121.06499	2.1
121.10145	3.9
122.06026	2.3
122.07281	0.9
123.04401	3.3
123.08043	0.8
123.11697	2.5
124.07603	2.5
124.99986	0.6
125.05974	0.4
125.09603	2.2
127.03902	3.1
127.11169	0.3
129.06966	0.5
131.04951	0.3
131.08539	0.8
133.06526	0.4
133.10133	1.4
134.05942	0.5
135.04373	1.6
135.08038	2.5
135.11668	2.0
136.07556	3.6
137.05957	1.0
137.09602	8.2
137.13252	1.1
138.09114	4.0
139.03883	2.5
139.07518	1.3
139.11169	0.4
143.08565	0.4
143.10603	0.4
144.04425	2.5
145.02866	0.7
145.06441	0.6
145.10120	2.8
146.05949	0.8
147.04398	3.7
147.08026	0.8
147.11658	0.9
148.07536	0.8
149.02339	2.2
149.05952	0.9
149.09593	2.0
149.13264	1.4
150.05481	0.8
151.03943	1.7
151.11176	0.3
151.14786	0.4
152.06976	0.3
153.01810	7.3
153.05428	0.4
153.09067	0.6
155.07239	0.3
155.08516	0.7
157.06496	0.3
157.10075	0.3
158.09731	0.3
159.08034	0.4
159.11617	0.8
160.03909	0.8
161.05960	0.6
161.09584	1.0
161.13246	0.5
162.05466	1.4
163.03909	2.6
163.07532	1.8
163.11174	4.1
163.14806	1.1
165.09090	100.0
166.08601	5.1
167.03323	0.9
167.07037	4.7
167.10718	0.3
170.09608	1.2
171.02919	3.3
171.04289	0.5
171.07939	0.4
171.13763	0.7
172.03911	13.4
172.07611	0.4
172.09915	0.3
172.11211	0.7
173.02316	0.6
173.05864	0.3
173.09647	0.6
173.13148	0.5
174.05438	0.3
174.09145	0.5
174.37859	0.3
175.03802	0.4
175.07443	0.4
175.11099	0.5
177.01804	0.6
177.05438	0.7
177.09036	0.5
179.03400	0.7
179.10678	1.6
181.05057	0.5
181.06477	0.5
181.12207	0.9
183.02802	0.4
184.07336	2.8
184.11110	0.4
187.03993	0.3
187.12292	2.0
188.10553	0.4
189.05386	0.4
189.09041	0.7
189.12700	0.7
190.04968	3.3
191.03368	1.1
191.07024	1.0
191.10661	4.6
195.02863	3.5
198.09117	8.8
200.09195	0.6
200.10925	0.5
201.09003	0.6
203.03366	0.4
204.06535	20.5
205.06927	0.4
205.12230	2.8
207.10130	0.8
207.13847	0.3
209.08040	0.7
209.11714	1.5
212.10802	2.0
213.10242	0.6
215.03352	0.4
215.06982	2.5
215.11784	8.2
216.10159	0.4
219.02869	1.0
219.10028	0.6
225.10329	0.8
226.08604	2.2
227.09053	1.9
227.12926	1.7
229.09612	0.3
229.13504	0.4
231.06410	0.8
233.04317	0.3
237.10104	0.4
239.06989	0.6
239.11850	0.4
240.10397	1.5
241.09732	0.7
241.13240	0.8
242.10472	1.5
243.06503	2.8
243.11261	43.3
244.11722	0.6
251.11710	0.5
253.09592	0.4
255.06497	0.9
255.11287	3.2
256.12106	0.4
257.04440	0.4
257.08163	0.6
257.12845	2.3
259.09695	0.3
261.03900	1.7
267.06537	0.4
269.09882	0.8
271.06021	1.8
273.07556	2.5
273.25668	0.4
279.26794	0.5
281.12311	0.4
283.10770	0.5
284.11548	0.5
285.07849	1.7
285.12292	39.2
286.12659	1.2
287.05249	0.7
289.07040	6.5
291.26697	2.2
295.05978	0.4
296.11591	0.4
297.12213	1.0
297.27881	1.6
298.13107	0.5
299.13571	0.5
301.06958	1.0
301.11807	3.1
301.21548	0.3
302.12500	0.8
303.13348	47.2
304.13663	0.9
309.07687	0.4
309.27814	1.0
313.06976	0.8
315.09128	0.5
317.10324	0.5
317.13980	0.3
325.11731	3.1
331.08112	2.3
335.11154	0.7
335.14859	0.6
337.06924	0.5
339.09467	0.6
339.13116	0.6
343.12930	1.2
351.08658	0.5
353.16000	1.6
355.08060	0.7
357.14359	2.0
358.15381	0.6
359.29382	0.6
369.13257	0.9
371.12411	1.0
379.08084	1.1
385.10309	0.3
387.14624	0.4
393.09586	0.6
397.09201	1.5
415.10056	0.3
418.17545	1.1
425.34027	2.6
430.17752	0.5
443.28809	0.6
443.35175	10.7
458.16943	0.3
461.36237	1.7
462.16418	1.2
470.16833	0.7
474.16415	1.6
476.18048	1.1
479.37296	0.8
487.15225	0.3
488.18082	0.8
494.19064	0.6
536.19946	0.4
583.25549	1.5
599.24622	1.1
609.23163	0.6
613.25848	0.5
623.24255	0.3
627.24524	3.1
641.16156	0.5
641.25964	5.8
659.26776	3.5
659.35968	0.6
682.74841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.6
55.01857	0.7
55.05494	1.2
57.03428	0.5
67.05496	2.6
69.03410	2.0
69.07059	1.1
71.04980	0.5
71.35816	1.3
75.89497	0.4
79.05470	1.8
81.03407	2.4
81.07048	3.6
83.04958	0.7
83.08586	0.9
84.04961	0.4
85.02883	1.1
85.06522	0.9
91.05473	2.7
91.37122	0.5
93.07042	3.2
94.06574	3.3
94.07150	0.7
95.04951	2.1
95.07323	1.2
95.08584	2.1
96.08135	2.9
97.02876	0.7
97.06509	1.1
99.04449	0.8
103.05457	0.6
103.58262	0.5
105.07024	3.1
106.06583	0.7
106.07316	0.9
107.04929	1.3
107.08556	2.4
108.04478	0.5
108.08113	3.2
108.08729	0.6
109.02847	0.6
109.06463	1.3
109.10115	1.9
110.09673	5.2
111.08015	0.8
116.04955	2.3
117.06970	0.6
119.04912	1.0
119.08550	1.8
120.04450	1.6
120.08067	4.3
121.06485	0.6
121.10130	1.4
122.05994	5.0
123.04395	1.4
123.08057	0.5
123.11760	0.8
124.07568	3.2
125.05976	0.6
125.09605	1.2
127.03873	0.9
131.08569	0.7
132.08095	1.0
133.06532	0.6
133.10068	2.2
134.10469	0.6
135.08061	0.7
135.11705	1.0
136.07559	6.5
137.06004	0.5
137.09607	1.6
137.13234	0.8
138.09116	7.4
139.03893	1.2
143.08583	0.8
144.04424	4.9
145.05051	0.7
145.10085	0.7
146.06013	1.2
147.04401	2.2
147.11678	0.5
148.07539	1.3
149.06050	0.6
149.09558	0.5
149.13228	0.6
150.05484	1.3
151.03778	0.5
152.07053	0.6
153.01794	1.6
155.08504	1.1
157.10091	0.9
158.05968	0.6
159.11687	0.7
160.03923	1.7
160.07535	1.1
161.05913	0.5
161.07088	0.6
161.09586	1.2
162.05440	3.0
163.03880	0.8
163.11154	1.6
164.07057	0.7
165.05548	0.6
165.09093	5.5
166.08612	7.9
167.07030	0.5
170.09634	3.5
171.02855	1.8
171.11497	0.5
172.03914	24.6
172.07489	1.2
172.09860	0.9
172.11165	1.1
173.04460	0.5
174.05328	0.6
174.09146	0.9
175.08621	1.1
179.10695	1.2
180.10977	0.6
181.05058	0.6
181.08568	0.7
183.06755	0.6
184.07381	1.3
184.11102	0.7
186.09084	0.9
187.12302	3.6
188.07028	0.7
190.05002	4.0
193.12248	0.7
195.02892	0.7
198.09131	22.0
200.07097	0.7
200.09335	1.8
200.10793	1.5
202.08746	0.6
204.06537	34.5
205.07063	0.6
209.08124	0.7
212.10774	3.7
213.10239	0.7
214.08740	0.5
215.11777	19.0
215.13904	1.0
218.08078	0.5
219.10063	0.6
225.10303	1.4
226.08670	6.1
227.08099	1.6
227.11800	2.0
228.08766	0.5
229.09602	1.2
229.13441	0.9
231.11122	0.6
237.10274	0.8
240.10384	2.4
241.09680	2.2
241.13330	1.1
242.10474	1.7
243.11261	96.6
244.11655	2.3
250.10777	0.8
251.11745	0.6
253.09663	1.3
255.11267	7.3
256.12057	0.8
257.12811	5.4
265.09790	1.0
267.11386	0.8
267.15994	0.6
268.09494	0.6
269.09286	3.6
269.12009	0.7
271.10693	0.6
273.07455	1.1
279.11295	1.5
283.10733	0.7
284.11481	1.0
285.12296	85.6
286.12668	1.7
287.05347	0.5
287.10196	1.9
289.07050	1.0
297.12329	1.3
301.11819	6.9
303.13342	100.0
304.13666	2.3
305.11258	2.4
307.10712	0.8
313.15616	0.6
315.09454	1.4
325.11774	4.5
339.13623	0.6
343.13040	1.0
355.16458	1.5
357.14322	4.2
358.15433	2.5
359.15915	1.1
374.14493	0.5
386.14841	1.2
400.16479	0.9
416.15912	1.1
418.17572	2.0
428.15939	1.4
430.17511	2.3
443.34900	0.6
446.16800	0.6
461.36145	0.7
462.16479	3.9
474.16357	4.2
476.18216	0.7
479.37079	1.0
488.86737	0.5
494.18967	2.9
506.19016	1.4
581.23761	0.8
583.25470	11.3
599.24805	5.0
609.23035	2.0
627.24438	18.0
628.25000	0.7
641.25427	0.9
659.26007	1.7
665.75708	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2334
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
53.03939	0.6
55.01857	0.8
55.05511	2.7
57.03438	1.3
57.07057	0.7
59.04984	0.7
59.49423	0.5
66.97645	0.5
67.05497	6.8
69.03423	0.8
69.07058	3.1
71.04958	0.8
71.62814	0.7
71.63186	0.6
79.05480	4.5
79.74953	0.5
81.03399	1.6
81.07047	6.3
83.04967	1.0
83.08600	1.7
85.02893	0.7
86.09704	1.2
86.42270	0.6
91.05480	4.4
93.07018	4.3
94.07351	0.7
95.04965	1.3
95.08623	3.3
97.06512	1.6
97.10156	0.7
105.07024	4.3
107.08556	2.9
109.06488	0.9
109.10124	2.8
111.04416	0.6
114.89545	0.5
117.07024	2.0
119.08558	2.7
121.10137	2.3
123.08070	1.0
125.00010	1.4
125.09603	0.8
129.07059	0.5
131.08575	2.3
133.10114	1.9
135.08115	0.6
135.11703	1.1
136.31894	0.5
145.10117	2.1
147.11688	1.4
149.09566	0.9
155.08464	0.6
157.10112	0.6
159.11646	1.2
160.12053	0.6
163.11235	1.1
173.13274	0.7
184.07291	4.2
184.12001	0.6
185.07657	0.6
185.13144	0.6
199.14848	0.6
227.12845	0.8
229.14432	0.9
230.99297	0.5
275.20148	2.3
276.20602	0.6
291.19559	2.0
293.21063	0.6
317.38049	0.5
340.75055	0.6
349.23950	1.1
365.23376	0.6
385.12955	1.0
399.14365	1.8
400.15295	4.7
401.16003	1.2
408.12460	1.1
410.13834	1.2
411.14758	0.8
412.15201	0.7
413.15912	2.3
414.16666	3.0
421.12930	1.9
422.13803	3.3
423.14648	3.9
424.15527	1.6
425.16370	1.2
426.16782	1.1
427.17523	1.7
428.18124	1.6
429.18805	2.1
430.19073	0.9
435.14630	2.0
436.15411	4.2
437.16217	8.7
438.16919	1.7
439.17865	0.8
441.15173	0.8
442.15970	0.9
443.16763	1.5
449.16388	1.3
450.17661	2.6
451.18463	4.3
452.18362	2.1
453.15833	0.6
455.17310	1.6
456.17422	1.9
457.18225	0.9
463.13849	1.2
464.14383	2.6
465.15176	2.4
465.19873	2.0
467.17477	2.8
469.14243	2.6
470.15643	0.9
477.15805	1.2
478.16650	2.6
479.17542	3.2
480.18469	3.0
481.14856	0.9
481.19229	0.7
482.15570	2.1
483.16650	3.0
484.16895	5.0
492.18344	0.7
493.18948	8.8
494.15808	1.9
494.19485	1.7
495.16220	4.5
496.17154	2.3
497.17975	0.9
498.14633	3.6
506.15527	1.3
507.16693	2.2
508.17419	5.5
509.18265	5.6
510.15469	1.9
511.19534	1.8
512.16467	10.9
513.17004	1.2
516.23438	1.3
521.18225	12.0
522.15906	3.9
523.19958	0.7
524.16577	1.2
525.21545	1.0
526.14899	1.4
538.18494	0.8
539.19110	3.1
540.19464	7.2
543.22089	1.4
549.17963	0.8
553.20837	13.8
554.19702	0.9
561.37872	1.6
571.21918	3.2
572.22113	8.8
581.20264	40.2
582.20740	2.0
599.21002	30.1
600.21503	8.5
613.22931	14.0
622.22980	4.7
627.20935	0.9
631.23682	3.3
641.22363	100.0
642.22797	4.8
659.23193	30.2
660.23480	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01868	0.9
55.05490	0.8
57.03420	0.6
65.03927	1.1
66.93198	0.4
67.05498	3.1
68.99778	1.6
69.03411	2.3
70.18776	1.8
79.05482	0.7
81.03389	0.7
81.07053	0.5
83.04977	3.3
83.30421	0.4
85.02882	2.3
85.06567	0.4
91.05446	2.5
93.03372	1.4
93.07009	1.0
95.04955	5.1
95.08595	0.6
97.02876	1.4
103.05426	0.5
105.03372	0.5
105.07044	2.8
107.04941	0.5
107.08608	1.1
109.02885	0.8
109.06532	1.1
109.10136	4.1
111.00782	0.4
111.04435	4.7
115.05492	0.5
116.96593	0.4
119.04919	4.0
119.08559	4.4
121.02867	0.6
121.06460	0.5
121.10143	0.7
123.04414	61.9
124.04748	0.6
127.03885	1.5
129.05521	0.7
130.07816	0.5
131.08554	1.1
133.06480	2.0
134.14339	0.5
135.04398	0.6
135.08002	0.7
137.02303	0.8
137.05969	1.3
139.03883	100.0
140.04276	0.5
143.04932	1.6
145.10114	4.0
147.03203	1.1
147.04387	21.0
147.08025	1.1
147.11684	6.7
149.05957	0.7
151.03922	3.6
153.05432	0.8
156.09383	0.8
157.05017	1.0
159.08022	0.7
159.11726	0.6
161.05971	6.8
163.03906	2.0
163.07492	0.9
165.05452	17.6
169.04994	0.8
169.18340	0.5
171.04285	0.5
171.11678	1.3
173.73441	0.6
175.11148	0.6
177.05418	3.1
179.07007	2.7
181.04892	1.2
181.48495	0.6
189.05502	3.3
189.12715	26.2
190.13156	0.9
203.06996	9.1
205.04866	1.1
207.06485	8.7
207.13754	3.0
217.08557	1.4
219.06488	1.0
227.07115	1.0
228.07666	1.5
229.08595	1.1
245.08075	5.1
249.07645	1.1
257.07974	0.7
271.09601	0.5
273.07645	4.8
273.14929	0.5
285.14780	0.8
289.10684	1.2
291.08588	54.7
292.08893	1.9
293.49908	0.5
303.16003	1.4
309.14795	0.7
327.15805	3.0
345.16937	5.5
355.11548	0.8
379.11627	2.9
397.12711	3.1
447.11130	3.7
461.19598	2.1
466.14081	0.7
479.20602	9.6
497.21548	3.7
507.22308	5.1
627.35822	0.6
641.25555	2.2
659.26471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.5247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01873	10.8
55.05505	28.9
57.03426	18.4
57.07066	36.9
59.04987	4.0
67.05493	85.6
69.07053	39.9
71.04979	6.2
71.08618	27.3
79.05482	34.2
81.03394	4.2
81.07042	80.7
83.04976	5.7
83.08601	32.0
85.06517	6.2
85.10156	14.0
89.06034	13.2
91.05471	26.7
93.07029	39.3
93.07615	3.0
93.66079	2.0
95.04947	6.4
95.08591	48.3
97.06519	7.8
97.10142	20.6
98.98454	22.4
99.08068	5.5
105.07026	19.8
107.04949	4.5
107.08569	34.9
109.06513	7.0
109.10136	43.5
111.08059	6.4
115.05599	2.4
117.07017	8.8
119.08566	31.1
121.06557	2.6
121.10101	17.4
123.08054	2.8
123.11668	5.7
125.09635	9.0
131.08565	11.3
133.08582	6.7
133.10098	15.1
135.08014	5.1
135.11664	8.9
137.09595	2.9
145.10118	10.1
146.44646	2.2
147.08008	3.9
147.11665	6.5
149.09618	5.6
149.13235	12.7
155.01009	21.0
155.08559	2.9
157.10052	3.0
159.08060	6.8
159.11642	13.9
161.13171	3.8
173.11745	5.3
173.13184	4.8
177.11290	4.5
177.12727	14.7
183.11728	2.4
189.11258	4.8
195.13788	8.3
227.12724	20.2
229.14278	51.1
233.15390	3.1
237.22115	5.5
251.16452	19.7
257.19019	5.4
269.17426	31.3
275.19971	30.4
284.29865	2.6
289.18005	4.7
293.21060	9.9
311.25806	16.5
313.27301	100.0
314.27832	5.4
335.25766	6.6
349.14005	7.2
349.23676	22.9
367.24832	13.5
405.16544	5.2
423.17706	7.2
459.27646	4.4
467.37234	32.0
487.37521	3.4
505.38892	15.9
507.40417	32.7
553.23779	2.3
587.46515	21.7
605.47961	11.6
623.42651	5.5
659.38983	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	658.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01857	0.2
55.05496	0.6
56.05017	0.5
57.03414	0.5
58.06617	0.5
58.76805	0.1
60.08155	6.3
61.02930	0.1
67.05169	0.1
67.05498	1.8
68.05816	0.2
69.03402	0.4
69.07050	0.6
70.06569	0.1
70.65214	0.1
71.04988	0.2
71.07364	3.0
74.20160	0.1
79.05481	1.3
81.03404	0.9
81.07045	1.5
82.03722	0.2
83.04970	0.5
83.08559	0.3
85.02870	0.2
85.06525	0.2
86.09692	32.0
87.10022	0.2
91.05474	1.0
92.05789	0.1
92.87901	0.1
93.07033	1.1
94.07373	0.1
95.04945	0.5
95.08596	0.8
97.02874	0.4
97.06522	0.4
97.10147	0.2
98.00962	0.1
98.98450	2.7
99.04455	0.3
104.10730	3.3
105.07024	0.8
107.08558	0.7
107.30669	0.1
109.06487	0.3
109.10133	0.9
110.10468	0.2
111.04383	0.2
111.07992	0.1
117.07009	0.3
119.08587	0.5
121.06551	0.2
121.10152	0.3
123.11691	0.2
124.99985	21.3
125.09628	0.2
127.03902	0.2
127.07529	0.1
129.06989	0.2
131.08536	0.3
132.08932	0.1
133.10114	0.5
135.11726	0.2
143.01062	0.3
145.10101	0.3
146.10403	0.1
147.11676	0.3
149.13301	0.1
157.10054	0.2
173.04491	0.2
173.11678	0.2
175.11221	0.1
184.07310	100.0
185.07788	0.7
193.12288	0.1
195.13855	0.2
209.11746	0.2
211.13185	0.2
229.14354	0.3
230.14671	0.3
267.15900	0.2
269.17477	0.2
270.20926	0.1
285.16843	0.2
378.79343	0.1
444.77676	0.1
461.29010	0.3
479.29730	0.2
542.35699	0.3
560.36658	0.5
658.37061	12.9
659.37366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
53.03941	2.2
54.07033	0.3
55.01860	1.1
55.05503	7.4
57.03176	0.5
57.03428	5.9
57.07058	0.6
59.04982	0.4
59.58097	0.3
61.02906	1.3
65.03926	1.3
67.05494	25.6
68.05837	0.6
69.03419	1.2
69.07059	7.5
70.22198	1.0
70.22607	0.5
70.80177	0.3
71.01336	1.3
71.04967	2.2
73.02891	0.4
73.06529	0.4
79.05482	31.9
80.05801	0.5
81.03408	4.4
81.07044	18.3
83.04973	6.4
83.08604	3.7
85.02882	1.3
85.06524	2.1
86.09681	0.5
86.77945	0.3
91.03942	0.5
91.05465	19.9
93.07028	35.7
94.07377	0.5
95.04956	8.4
95.08591	9.3
96.08903	0.4
97.02877	1.1
97.06512	5.3
97.10139	3.7
99.04443	0.6
99.08077	0.9
101.63454	0.3
105.04498	0.6
105.07012	13.1
106.07323	0.6
107.04945	2.5
107.08576	14.1
109.06502	2.7
109.10119	3.4
111.04488	0.4
111.08044	1.4
115.05476	0.6
117.07007	3.9
119.08558	10.0
120.08866	0.4
121.06526	1.7
121.10120	4.1
123.08038	1.9
123.11690	0.3
125.09616	1.0
127.03910	0.3
127.07524	0.6
128.06149	0.4
129.06987	6.0
131.08583	1.5
133.06483	0.5
133.10120	4.9
134.10397	0.4
135.08043	0.8
135.11662	15.4
136.11978	0.3
137.09605	0.9
143.08543	3.2
145.10103	6.3
147.08037	1.1
147.11658	12.3
149.13194	0.3
151.11145	0.5
153.12735	0.6
157.10097	0.6
159.11710	0.8
161.09636	1.4
161.13237	3.2
163.11145	3.1
171.11659	8.8
175.11214	0.4
177.12636	0.3
180.97241	0.3
181.12202	3.0
184.07278	0.9
189.12723	3.6
193.12117	0.5
199.13281	0.6
207.13777	9.4
211.13217	0.3
225.14848	0.7
229.14342	0.5
235.42906	0.3
237.14720	0.5
255.15874	23.2
256.16254	0.7
263.16388	0.5
267.15921	0.8
269.17490	0.8
275.20117	0.5
281.17432	21.4
282.17789	0.5
422.10934	0.3
443.27606	1.1
461.28915	100.0
462.29239	4.3
473.63168	0.3
605.32880	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59420	1.3
53.03944	7.7
55.01859	7.4
55.05499	26.8
57.03428	13.7
57.07064	2.2
59.04998	3.0
61.02922	1.8
65.03932	2.6
67.05159	2.6
67.05494	30.6
69.03418	20.1
69.07058	11.4
71.04971	8.0
72.08141	5.8
73.02910	3.6
79.05480	38.7
81.03407	100.0
81.07047	41.5
82.03751	1.7
83.04967	35.4
83.08611	30.4
85.02411	2.1
85.02894	26.7
85.06535	3.2
91.05467	44.4
93.07036	32.1
95.04013	1.7
95.04958	36.7
95.08589	19.3
97.02887	16.1
97.06538	7.0
97.10169	11.8
98.09658	2.2
98.20747	2.6
99.04433	6.0
99.08091	1.6
103.05454	1.9
103.70349	1.6
105.07011	40.5
107.00694	1.3
107.04942	12.7
107.08578	19.5
109.02869	13.6
109.06489	9.7
109.10153	9.4
111.04420	13.0
111.08076	12.0
113.05963	4.0
117.07005	5.3
119.04942	3.6
119.08569	32.2
120.08872	2.1
121.02885	3.1
121.06471	6.6
121.10126	19.2
123.04424	6.0
123.08048	5.1
123.11688	5.0
125.02322	1.5
125.05929	1.8
125.09618	8.7
127.03909	13.0
128.06219	2.8
129.05489	8.7
129.06975	15.0
131.04915	2.7
131.08537	16.8
133.06435	5.3
133.10110	21.4
135.04361	3.2
135.08031	3.8
135.11676	5.3
136.07605	1.9
137.05940	4.2
137.09602	3.8
139.03813	2.3
139.07533	2.0
139.11113	1.7
142.07744	4.2
143.08537	4.7
145.06425	3.9
145.10118	8.4
147.04407	6.9
147.08047	6.0
147.11665	27.9
148.11928	1.5
149.05933	2.4
149.09589	11.5
149.13214	2.0
151.03940	1.9
151.07532	4.8
151.11229	2.7
153.01802	22.2
155.08592	1.4
157.10109	21.1
159.07979	1.8
159.11766	3.5
161.05966	2.9
161.09615	7.6
161.13170	1.9
163.03920	8.4
163.11145	8.8
165.09073	9.8
165.12726	5.7
167.07056	4.3
169.10034	2.9
171.02876	16.4
173.04463	2.6
175.11137	18.2
177.05424	2.8
177.09142	2.9
177.12714	1.8
179.10652	2.3
181.04865	1.9
181.12123	3.4
183.06511	1.6
187.11172	1.6
189.05373	1.5
189.09106	7.2
189.11172	2.9
189.12775	2.9
191.03314	1.7
191.10701	3.5
193.12213	61.0
195.02859	4.4
205.08632	2.7
209.11644	2.1
211.13258	86.8
212.13644	1.5
212.96797	1.4
213.08733	2.2
213.12743	1.5
215.14197	1.5
218.43881	1.5
219.10159	1.7
224.09756	1.6
225.11093	1.9
227.12726	6.5
229.14326	5.6
233.15358	3.5
240.08104	1.4
248.12668	2.3
249.14832	3.8
255.11354	2.7
255.13898	1.7
267.15866	34.5
271.05997	8.6
273.07455	3.1
277.78726	1.5
283.15411	3.0
285.16937	35.7
289.07034	19.9
301.14322	1.9
306.14389	2.1
319.15323	2.7
331.08224	2.2
337.16376	2.0
355.17450	5.4
357.14316	1.6
359.22256	2.2
367.22476	4.1
385.23734	4.8
387.61874	1.5
393.19046	4.0
405.20990	2.3
411.19955	6.7
429.21243	14.5
431.27698	4.4
433.25711	4.2
449.28830	2.3
451.26794	4.4
459.27332	28.1
477.28427	32.9
495.29477	37.8
505.45871	1.8
534.18207	2.2
585.29675	2.9
603.31610	4.1
621.32758	10.8
622.32422	1.7
629.33063	1.7
639.33734	37.6
657.35651	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	657.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
63.97174	0.6
67.05477	1.2
69.07036	0.7
70.27931	2.0
81.07045	2.3
83.08616	0.6
90.96176	0.6
93.07042	0.7
95.08611	1.4
100.46716	0.6
105.07040	0.9
107.08538	0.8
109.10119	1.1
119.08571	0.9
126.89311	0.6
130.06590	0.7
131.07237	0.9
132.08098	1.0
146.09605	0.7
183.09203	0.9
221.10692	1.1
223.12350	1.2
233.10771	0.7
234.11736	0.7
235.12262	1.2
237.13866	1.1
239.15532	0.6
246.11330	0.8
247.12320	0.9
249.13841	1.2
251.15385	1.0
260.13232	0.7
261.13815	1.8
262.14447	0.6
263.11710	0.6
272.11530	0.6
273.13824	2.0
274.14307	0.9
275.15402	1.0
277.88287	0.7
288.15964	1.9
289.13217	1.1
303.14111	0.8
304.14575	1.0
314.16547	1.5
318.15909	1.4
326.16599	1.5
328.17960	1.2
338.16031	1.4
340.18085	0.8
348.14258	0.8
349.15292	0.8
350.16394	0.9
351.16760	1.1
352.17957	1.8
362.16376	1.0
363.16260	1.4
364.17511	1.3
365.17636	2.7
366.19284	1.3
375.16357	1.1
376.17633	1.8
377.17844	2.6
378.18835	2.4
379.19315	3.8
381.20990	1.5
388.18103	0.8
389.18091	1.7
391.19617	3.6
392.19788	2.5
393.16248	3.0
393.20850	2.8
394.17755	1.5
394.22174	0.9
395.18271	1.4
395.22699	1.6
404.20566	1.0
405.20804	2.7
406.17798	1.1
406.22070	1.2
407.17557	3.4
407.22406	3.8
408.19296	4.7
409.20203	4.8
410.20142	0.9
412.20129	1.1
419.18600	1.9
419.23264	0.9
421.19327	5.9
421.24411	2.7
422.21097	3.7
423.21805	16.3
424.22131	2.1
431.18521	1.5
432.19543	0.9
433.20197	1.9
434.21213	1.1
435.21979	9.3
436.22910	4.3
437.23889	4.4
439.20819	0.8
442.20895	1.1
446.13361	1.4
446.20712	2.2
447.21704	2.4
448.20093	0.6
449.24179	3.6
450.20346	1.0
450.24219	2.0
451.20880	4.6
452.23309	1.4
453.22922	1.9
454.20102	4.1
456.22675	0.8
461.23904	6.2
462.20773	1.8
463.21362	4.0
464.21658	2.4
465.23059	4.7
466.22855	1.2
467.24741	3.3
468.25128	3.3
476.21521	1.2
477.23059	5.2
478.23462	2.6
479.25116	5.6
480.21976	1.5
481.22345	2.8
489.22565	0.8
491.20724	1.5
492.21530	1.1
493.21368	6.0
494.26965	5.7
495.23425	11.9
496.24655	4.7
497.25339	0.8
505.22006	2.1
506.23160	1.1
507.23718	2.0
508.24731	13.2
509.25623	12.0
510.26364	9.1
511.27124	12.1
516.24933	1.0
519.23700	2.2
521.25610	5.0
522.26221	3.3
523.23480	5.0
524.23523	0.7
525.29260	2.9
526.29187	2.2
537.24969	16.1
538.25690	9.7
539.26453	1.2
549.24933	1.7
551.22754	1.8
553.28491	8.2
555.25891	2.1
565.24487	2.6
566.24707	1.5
570.28400	3.6
581.27448	17.3
582.28192	1.7
583.25403	6.8
595.29462	1.0
596.27380	1.1
597.27069	40.5
598.27704	7.0
607.25513	1.5
613.30139	73.3
614.30206	5.3
625.26440	100.0
626.26868	9.5
657.28973	12.3
663.30261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01868	3.1
55.05503	18.3
57.03429	3.0
59.04962	0.7
61.02904	2.1
67.05492	17.0
67.74940	0.6
69.03413	4.0
69.07048	6.2
71.04971	1.3
71.62895	0.9
73.02914	1.1
74.50377	0.5
79.05479	15.8
81.03407	5.4
81.06566	1.2
81.07035	16.7
83.04949	3.9
83.08600	10.5
83.79438	0.6
85.02864	3.4
85.06525	1.0
91.03924	1.2
91.05466	16.3
92.05794	1.3
93.07028	11.7
94.07347	0.8
94.90191	0.7
95.04948	3.1
95.08585	7.3
97.02882	2.3
97.06514	2.4
97.10151	20.5
98.90247	0.6
103.05442	7.9
105.07011	13.1
107.04952	3.7
107.08575	11.4
109.06499	2.0
109.10120	5.4
111.04411	0.9
111.08076	1.9
115.05447	3.4
117.06993	24.1
118.07357	0.6
119.04897	0.9
119.08545	7.9
121.06491	2.2
121.10127	3.0
123.04383	1.0
123.08050	1.4
123.11695	0.7
125.09602	18.2
127.03854	0.6
128.06212	2.2
129.05479	0.8
129.06981	9.8
131.04901	1.3
131.08531	17.1
133.06473	4.3
133.10077	4.2
135.08009	3.9
135.11679	2.1
137.09579	1.3
141.06993	4.8
143.08525	4.6
143.10583	1.1
145.06468	5.5
145.10100	6.6
147.04347	0.7
147.08037	2.3
147.11674	2.0
149.09613	3.4
149.13191	0.6
151.11223	0.9
153.06961	0.6
153.09064	1.9
155.05942	0.8
155.08521	7.8
156.09265	1.1
157.06491	2.1
157.08829	0.6
157.10031	3.4
159.08015	3.4
159.11652	2.6
161.13243	0.8
163.11136	0.9
165.07013	0.9
165.09093	0.7
167.08516	2.0
169.10086	5.8
171.08069	2.3
171.10280	1.1
171.11620	3.8
173.04420	0.9
173.09576	1.4
173.13184	1.7
175.11223	1.7
181.10054	1.1
183.11684	1.7
185.13199	1.5
187.11172	0.7
187.14767	5.4
189.11200	8.3
189.12737	1.1
191.10674	1.0
195.08044	0.6
195.11664	2.4
197.09483	0.7
197.13226	6.6
199.11115	0.7
207.11583	0.6
209.13277	1.5
213.12746	3.0
215.14278	27.6
219.11656	0.9
221.13284	1.1
223.11214	1.4
223.14827	0.9
225.12796	1.2
225.16440	0.7
227.12714	14.9
233.15370	1.5
237.12695	1.3
239.14240	1.2
241.12231	1.5
245.13676	1.1
257.15408	0.7
268.16199	0.9
269.15170	1.1
269.17801	1.0
271.16898	1.5
321.22141	0.9
339.23288	1.8
349.21472	4.4
367.22537	9.9
385.23740	7.1
403.24652	2.5
422.25760	0.9
441.26294	46.3
442.26508	1.8
459.27332	100.0
460.27466	4.2
462.29773	1.2
477.28436	11.8
621.32532	0.9
668.70056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.5
55.01854	5.8
55.05504	22.1
57.03433	17.2
57.07063	54.5
65.03926	4.5
67.05495	60.7
69.07056	61.5
70.75057	6.9
71.04980	23.0
71.08619	41.0
73.02916	4.5
79.05481	52.3
81.03422	12.9
81.07042	67.0
83.04958	11.2
83.08593	20.1
85.06536	4.9
85.10167	19.8
91.05467	35.2
93.07036	36.5
95.04960	17.6
95.08590	51.2
97.06512	100.0
97.10131	10.9
99.08079	4.1
105.07013	29.4
107.04918	9.7
107.08576	23.4
109.06497	14.4
109.10156	22.8
111.08072	7.5
115.07546	37.2
117.07020	17.3
119.08552	22.6
121.06481	5.6
121.10081	11.7
123.08067	5.6
123.11686	6.9
129.06984	6.5
131.08542	16.6
133.10124	17.7
135.08054	9.0
135.11627	7.5
137.09607	3.1
137.13174	2.6
139.07594	3.1
143.08543	7.8
145.10088	12.2
147.08093	2.8
147.11652	7.0
149.09619	4.6
149.13229	6.1
151.11188	4.6
156.09160	2.6
157.10146	9.4
159.07944	3.1
159.11658	9.3
161.09615	4.9
161.13182	3.0
165.09064	2.8
171.11597	4.0
175.11163	3.8
177.12717	7.0
199.14731	3.3
217.15814	12.4
233.15376	4.2
237.16417	3.0
239.23633	5.0
245.19044	6.7
251.16417	3.4
253.14357	10.1
255.17467	3.7
267.15921	4.8
269.17447	12.6
273.18396	37.9
279.15964	3.0
291.19580	17.1
297.16751	2.5
313.27319	91.4
314.27747	4.0
341.26706	9.2
347.22174	10.3
365.23181	11.1
367.52774	2.7
383.24191	3.4
389.05524	2.6
467.37036	3.4
507.40375	62.0
535.39606	6.9
585.44495	3.3
603.46027	20.3
621.46729	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	655.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	0.8
51.02376	0.9
53.03934	6.7
55.01861	12.3
55.05501	26.9
56.96534	0.7
57.03426	16.1
57.07068	5.3
59.04979	1.9
61.02918	0.9
65.03928	3.0
65.08170	0.6
67.05493	54.1
68.05789	0.8
69.03416	32.5
69.07054	11.2
69.59454	5.4
71.01338	3.7
71.04983	9.8
71.78825	0.7
73.02901	6.2
74.09686	0.6
79.05481	42.9
81.03404	100.0
81.07041	38.0
82.04182	1.3
82.47851	0.7
83.01307	1.2
83.04969	25.7
83.08605	22.4
85.02890	30.0
85.06542	4.4
86.09721	0.7
87.04452	1.1
91.05463	41.0
93.07026	33.3
95.04955	34.8
95.08586	17.2
97.02878	28.1
97.06518	9.3
97.10154	12.9
98.07282	1.2
99.04440	7.8
99.08081	2.0
101.02373	1.5
103.03935	1.1
103.05454	1.9
105.03392	1.0
105.04503	0.8
105.07014	29.3
107.04937	19.8
107.08575	19.6
107.49654	0.6
109.02861	14.5
109.06505	7.3
109.10136	23.6
110.10526	0.7
111.04433	14.9
111.08067	11.0
113.02358	1.2
113.05997	2.2
115.03922	2.7
115.05436	1.8
117.06989	8.0
119.04939	1.9
119.08560	22.1
121.02865	2.6
121.06482	6.2
121.10123	13.7
123.04394	7.5
123.08035	6.3
123.11707	3.9
125.05968	3.0
125.09607	12.1
126.36121	0.7
127.03892	11.9
127.07558	1.1
127.11164	1.4
128.06186	2.0
129.05516	4.3
129.06979	12.8
131.03384	1.6
131.04929	1.4
131.08546	15.7
131.09499	1.1
133.06470	4.5
133.10106	13.9
135.04404	5.9
135.08075	3.9
135.11671	7.1
137.05997	2.7
137.09584	4.2
137.13242	1.0
139.03880	1.7
139.07571	1.0
139.11205	0.9
141.06979	1.4
142.07748	1.8
143.03407	1.6
143.08557	3.0
145.04977	1.2
145.06464	3.2
145.10097	9.4
147.04373	4.5
147.08006	4.9
147.11656	13.8
148.04791	0.6
149.05960	1.3
149.09590	9.0
149.13206	1.0
151.03909	2.3
151.07570	1.2
151.11151	1.8
153.01794	8.8
153.02802	0.8
153.05467	3.3
153.06750	0.6
153.09111	2.2
153.12723	4.7
155.08530	2.2
157.04921	0.6
157.06525	1.4
157.08763	1.4
157.10088	12.2
158.05710	0.8
159.07983	1.3
159.11720	2.6
161.05968	1.9
161.09544	3.2
163.03880	1.0
163.07513	1.2
163.11154	11.7
165.01904	1.0
165.05518	1.2
165.09108	4.2
165.12711	3.2
169.10153	1.6
171.02835	0.8
171.06520	1.4
171.07986	1.4
171.11742	2.0
173.04445	8.9
173.05893	0.8
173.09615	2.6
173.11740	5.4
173.13194	1.4
175.07611	1.0
175.11159	13.1
177.05598	0.9
177.09003	0.9
177.12759	2.0
179.03456	0.9
179.08592	0.7
179.10648	2.3
181.04977	2.1
181.10059	0.8
181.10597	0.8
181.12195	5.6
183.02942	1.3
183.06560	2.5
185.13240	0.9
187.11234	1.6
189.09395	1.3
189.11240	4.4
189.12572	1.0
191.07033	0.7
191.10643	6.2
193.12215	36.3
195.13737	0.7
197.09633	0.7
197.13266	0.9
199.06015	4.8
199.11172	0.9
199.13225	1.1
201.14847	0.8
203.14406	0.8
205.12189	1.6
207.09987	0.8
209.11658	10.5
211.13251	41.8
213.12819	1.0
215.10703	0.7
217.07103	1.1
217.12346	1.2
217.14412	1.1
219.13853	1.2
221.15375	0.9
223.13300	1.7
227.12717	13.4
227.14807	0.7
229.12129	1.5
229.14307	15.0
231.13821	1.2
233.15335	1.1
235.13365	1.4
243.13870	1.1
244.97528	0.9
247.13348	2.2
249.14969	2.4
255.13573	0.7
255.15892	1.2
257.07150	1.0
259.13193	1.1
261.14795	1.0
265.14319	2.3
267.15860	16.1
267.18518	1.1
272.63770	0.7
273.14761	1.7
277.14276	1.1
283.15375	8.5
285.07642	1.8
285.16953	8.4
287.05441	3.9
289.14349	2.9
295.15167	1.0
299.08179	0.7
301.16833	3.4
307.15402	1.1
309.17160	1.2
313.16626	0.8
319.15411	1.2
323.60797	0.6
325.16504	0.9
335.22440	0.7
337.16595	1.5
345.00818	1.4
353.16049	2.9
355.17517	1.6
363.01636	1.4
363.18344	0.8
371.17081	1.1
375.18109	0.8
383.22250	1.3
393.19131	1.7
401.23145	0.9
409.18546	1.6
409.25815	1.5
411.20187	2.8
421.25809	12.6
427.19550	3.9
429.21182	1.1
431.28040	1.2
439.26810	15.0
447.27487	1.7
457.26279	1.3
457.32883	1.2
459.27643	1.1
463.26694	0.9
465.28403	1.0
475.26788	11.0
475.33389	1.0
476.27615	1.4
477.28403	1.5
493.27905	11.7
495.29761	1.3
511.29129	2.1
565.30139	1.0
583.30341	1.2
601.30286	1.0
619.31281	2.5
621.32861	1.0
637.14075	4.7
637.31903	10.9
638.13843	0.8
638.33289	1.7
655.16608	1.5
655.33118	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	655.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
57.03414	0.1
57.07078	0.1
59.47503	0.1
67.05485	0.8
67.39417	0.1
69.07053	0.3
69.27757	1.7
75.04475	0.2
79.05489	0.7
81.03402	0.3
81.07043	0.9
83.04961	0.3
83.08611	0.2
91.05482	0.5
93.07025	0.8
95.04976	0.2
95.08597	0.6
100.19124	0.1
105.07013	0.5
107.04946	0.4
107.08580	0.4
109.10152	0.3
119.08587	0.3
121.10115	0.2
124.65040	0.1
127.16518	0.1
129.06978	0.2
131.08536	0.1
133.10139	0.4
139.93474	0.1
145.10167	0.1
171.11411	0.1
179.14178	0.2
273.18579	0.3
291.19638	0.5
291.57498	0.2
377.17728	0.4
378.18250	0.2
379.19022	0.2
390.18390	0.2
391.19247	0.9
392.19922	0.6
393.20621	0.4
401.78186	0.1
403.19339	0.2
404.20383	0.3
405.16357	1.5
405.20938	0.6
406.17636	0.4
406.21756	0.5
407.18396	0.2
407.22348	4.0
408.23038	0.5
417.16980	0.2
418.18008	0.5
419.18179	2.8
420.18954	1.2
421.20029	1.2
431.18515	0.3
432.19473	0.4
433.20514	5.1
434.15753	0.2
434.21027	4.7
435.21762	7.6
436.22662	0.8
445.19434	0.2
446.21063	0.2
447.17914	1.5
447.22256	1.3
448.18668	0.9
448.23001	0.8
449.19049	1.6
450.20105	0.2
451.21411	0.5
460.22382	0.3
461.19617	1.3
461.24237	0.7
462.20319	5.0
462.26367	0.3
463.21255	4.2
464.22171	0.3
465.23276	0.3
475.21344	1.5
476.22070	0.9
477.22784	1.6
478.23578	0.6
479.21118	0.8
489.22964	1.1
490.23593	0.5
493.21948	0.7
493.27170	0.4
494.23044	0.4
495.23978	1.2
505.22461	0.4
506.23041	0.5
507.20273	0.6
507.25348	0.7
508.24631	1.8
509.25470	1.6
517.21979	0.2
519.23706	0.2
520.24664	0.2
521.25616	11.1
522.25580	0.6
523.27216	0.2
534.22333	0.3
535.27686	0.9
547.27026	0.5
549.24896	16.8
550.25323	1.0
553.23865	1.0
557.38397	0.3
563.26599	3.2
564.27301	0.9
565.28027	0.3
567.26288	0.4
571.82721	0.2
577.24506	0.6
580.27130	0.4
581.27521	3.6
595.29181	11.2
596.29669	0.5
607.28723	0.3
609.26978	11.3
610.27448	0.3
623.28558	1.5
627.31708	0.4
637.40936	0.2
655.31152	100.0
656.20404	0.2
656.31445	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	655.2753
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.03936	0.4
55.05518	1.5
55.42017	0.3
57.03407	0.5
67.05497	2.8
69.03434	0.4
69.07064	1.1
71.04995	0.5
71.63117	0.5
79.05479	2.1
81.03394	0.8
81.07051	2.4
83.04974	0.8
83.08624	0.4
85.06530	0.4
91.05463	2.2
93.07029	2.5
95.04969	1.6
95.08601	1.9
97.06521	0.6
105.07033	1.8
107.04968	0.4
107.08572	1.9
108.08158	0.3
109.06505	0.9
109.10143	1.0
111.08096	0.3
113.06020	0.7
117.07014	0.9
119.08589	1.5
121.06490	0.7
121.10130	1.0
123.08083	0.4
125.09676	0.3
129.06990	0.5
131.08554	1.1
133.10121	1.2
133.17215	0.3
135.08022	0.8
135.11726	0.7
138.09123	0.3
139.03893	0.5
145.10129	1.1
148.47820	0.3
149.09636	0.5
151.11069	0.3
155.08591	0.4
157.10191	0.4
159.08047	0.5
159.11703	0.7
163.11186	0.4
171.11734	0.6
184.07448	0.4
197.13275	0.3
217.15813	0.3
257.19156	0.4
273.18576	0.8
275.20102	1.1
277.21655	0.4
289.18051	0.3
291.19302	1.5
317.05893	0.3
333.54324	0.4
347.22174	0.6
349.23627	0.4
377.17523	1.1
378.18756	0.4
379.19098	0.7
389.17838	0.7
390.18643	0.7
391.19186	2.2
392.19946	0.9
393.20859	1.3
404.16119	0.6
405.16388	2.4
405.21054	1.3
406.17313	0.6
406.21924	0.5
407.22614	3.8
418.17719	1.9
419.18268	5.9
419.23602	0.4
420.19177	2.4
421.20200	1.5
431.18350	0.5
432.19513	0.8
433.20346	10.0
434.21103	5.0
434.70306	0.4
435.21902	5.8
436.22363	0.4
439.21432	0.5
445.20111	0.6
446.21808	0.4
447.17743	1.6
447.22232	1.7
448.18127	0.5
449.19467	1.8
450.20520	0.4
461.18646	1.5
461.24844	0.4
462.20468	2.4
463.21460	3.2
465.18790	1.6
475.21436	1.5
476.22092	0.4
478.19751	0.5
479.20743	1.2
480.21143	0.5
489.22894	0.6
490.19843	0.5
491.20428	1.4
493.21823	1.9
503.20789	0.8
505.22467	0.8
506.22424	0.4
507.20218	0.4
507.25137	0.6
508.21130	0.7
509.21304	0.4
517.22449	0.6
520.24799	0.8
521.25653	7.2
522.25061	0.5
523.26862	0.7
535.21954	0.4
548.23975	0.6
549.24982	12.3
550.25049	0.5
552.23871	0.7
557.38483	0.9
565.24225	1.4
567.25769	0.6
577.24408	9.5
578.24579	0.7
580.27069	1.8
581.27454	2.1
595.25446	5.1
596.25360	0.4
605.23993	0.5
609.27069	3.3
611.25037	0.4
637.26489	5.6
637.40918	1.0
638.26807	0.6
655.27533	100.0
656.27875	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	655.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.0
55.01862	13.8
55.05500	31.6
57.03421	16.5
57.07068	7.1
59.04984	1.1
61.02901	3.8
65.03919	4.5
67.05494	52.0
68.99761	1.9
69.03421	37.3
69.07056	14.9
71.01349	3.9
71.04974	10.4
71.62021	2.4
73.02896	2.7
79.05477	38.3
81.03404	100.0
81.07047	45.4
82.04179	1.5
82.07339	1.3
83.04963	21.9
83.08606	20.6
85.02893	26.3
85.06533	5.4
86.09691	5.4
87.04456	2.7
91.05466	45.1
91.80801	1.5
93.07032	37.2
94.04177	1.9
95.04352	2.1
95.04954	38.8
95.08596	22.7
97.02880	32.3
97.06532	10.2
97.10161	13.7
99.04447	10.4
99.08072	2.7
103.03935	1.4
103.05434	2.7
105.04408	1.3
105.07007	26.3
107.04937	15.1
107.08572	23.7
109.02877	14.0
109.06491	10.6
109.10132	25.4
111.04413	14.1
111.08070	11.9
111.11735	1.5
113.05978	1.4
115.03902	3.3
115.05421	2.3
116.04760	1.3
117.07020	7.0
119.04948	3.7
119.08553	25.5
121.02865	4.8
121.06519	7.5
121.10120	17.1
123.04417	6.5
123.08064	5.3
123.11690	5.2
124.99980	3.9
125.05956	3.3
125.09594	10.6
127.03886	11.9
127.07529	1.4
127.11156	3.8
128.06215	2.7
129.05461	3.5
129.07004	12.7
130.08611	1.4
131.04944	3.7
131.08540	18.8
133.06490	4.9
133.10109	17.8
135.04404	4.7
135.08046	4.9
135.11661	10.7
137.05977	4.5
137.09598	6.0
139.03888	1.8
139.11160	2.8
141.06964	2.1
142.07744	1.8
143.03415	2.3
143.08554	4.1
143.10654	1.6
145.02838	2.8
145.06465	4.1
145.10091	13.1
147.04379	12.3
147.08037	5.7
147.11664	19.2
148.04764	1.4
149.05966	3.4
149.09598	10.3
149.13150	1.9
151.03888	4.7
151.11174	2.6
153.01788	4.7
153.05443	2.2
153.12723	6.7
155.08562	2.0
157.10109	14.4
159.08066	4.0
159.11702	5.2
161.09608	4.4
161.13220	3.3
163.03894	3.2
163.11145	13.9
165.05481	2.6
165.09041	7.9
165.12750	4.5
169.10167	2.3
171.02911	5.2
171.06512	1.7
171.11650	1.9
173.04408	6.6
173.05855	2.5
173.09633	3.7
173.11734	3.4
173.13153	2.9
175.07565	2.3
175.11116	11.9
177.05473	5.8
177.09146	1.9
177.12840	1.6
179.10649	1.9
181.04916	2.1
181.12161	6.5
183.06467	1.5
183.11618	1.4
184.07327	15.7
185.07753	3.6
187.07530	1.6
187.11009	1.8
187.14906	1.9
189.09021	1.9
189.11205	3.7
191.03467	1.8
191.10670	7.0
193.12193	33.9
193.13823	2.2
197.09639	1.5
199.11189	1.6
199.13217	2.8
201.12717	1.8
203.10587	1.7
205.08577	1.5
207.06519	1.6
209.11617	10.1
211.13248	32.4
213.12700	2.2
217.12273	1.6
219.10162	1.3
225.12732	1.6
227.12715	11.7
229.14273	9.6
263.03247	1.3
265.14410	2.2
267.15881	14.3
271.13318	2.4
277.14435	1.6
283.10187	1.9
283.15262	9.2
285.16922	5.7
287.05475	6.6
289.14359	3.8
301.16437	4.3
301.21414	1.8
331.18948	2.8
337.16519	2.2
355.17426	3.1
357.74780	1.5
407.13748	1.7
409.18396	2.5
411.20007	2.3
421.25592	4.8
427.19629	2.7
439.26794	5.8
447.27100	1.5
457.25977	2.3
465.28082	1.5
475.26749	13.2
475.33548	2.8
493.28198	9.3
493.34634	2.6
510.40787	1.4
511.28891	2.7
524.37152	1.5
583.30078	2.0
605.32104	3.3
619.30988	3.1
637.32068	11.7
638.32251	3.3
655.19720	18.5
655.32800	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	655.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
54.81580	0.1
55.01865	0.8
55.05499	1.6
57.03424	1.1
57.07061	0.3
65.03914	0.3
67.01853	1.6
67.05167	0.2
67.05492	2.7
68.99783	0.6
69.03426	2.4
69.07050	0.9
71.04970	0.7
71.62683	0.2
73.02888	0.3
77.03911	0.2
78.04661	0.2
79.05475	2.2
81.03406	7.1
81.07035	3.2
83.01309	0.2
83.04966	1.3
83.08609	1.4
85.02895	2.3
85.06522	0.4
87.04438	0.2
89.03902	0.2
91.05460	3.6
92.02602	0.2
93.07030	2.5
95.04957	1.9
95.08592	1.9
97.02868	1.8
97.06499	0.5
97.10146	0.7
99.04428	0.6
99.08077	0.3
102.04649	0.5
103.05444	0.4
104.06232	0.2
105.03348	0.2
105.07010	2.2
107.04931	1.3
107.08582	1.5
109.02879	1.3
109.06505	0.8
109.10125	1.7
111.04431	0.8
111.08033	0.6
111.11639	0.2
115.03873	0.3
117.06978	0.7
118.04105	0.4
119.04911	1.4
119.08550	1.5
121.02805	0.3
121.06482	1.3
121.10110	1.1
123.04403	0.6
123.08060	0.4
123.11674	0.5
125.02375	0.4
125.09601	0.7
127.03909	0.8
129.01772	0.3
129.05478	0.3
129.06992	0.8
130.04121	1.4
131.04935	0.6
131.08551	1.0
132.05711	0.5
133.02769	0.2
133.06477	1.1
133.10132	1.2
134.10403	0.2
135.04401	1.4
135.08014	0.6
135.11655	0.8
137.05962	0.3
137.09570	0.3
141.06941	0.2
143.08513	0.3
144.05605	0.2
145.10081	0.8
146.03551	0.2
147.04390	5.8
147.08014	0.5
147.11644	1.1
148.05147	0.5
149.02151	0.2
149.05942	0.9
149.09596	0.7
149.13277	0.3
150.06708	0.6
151.03876	0.3
151.07471	0.2
153.01805	11.7
153.09077	0.2
153.12747	0.2
154.02122	0.2
155.08549	0.2
157.10056	0.7
159.04288	0.2
159.08148	0.2
159.11632	0.4
160.05161	0.8
161.05971	1.2
161.09509	0.3
161.13222	0.2
162.06737	5.3
163.02512	0.3
163.03876	5.2
163.07524	1.3
163.11150	0.6
165.01845	0.4
165.05486	0.4
165.09074	0.8
165.12746	0.3
167.06996	0.7
169.08609	0.4
171.02861	12.8
171.11641	0.3
172.16827	0.2
173.04547	0.2
173.13264	0.3
174.03070	0.4
175.03885	3.6
175.07457	0.2
175.11179	0.6
175.14804	0.2
176.04669	1.2
177.01761	0.3
177.05412	1.4
177.12712	0.2
177.16240	0.2
178.06213	4.8
179.03377	0.5
181.08569	0.4
181.12164	0.4
183.02852	0.4
185.13220	0.2
187.14789	0.2
188.04683	0.4
189.05428	1.7
189.09061	0.2
189.11191	0.2
189.12801	0.2
190.06212	18.3
191.03357	5.9
191.06973	1.5
191.10651	0.4
192.04010	0.3
193.08575	11.8
193.12196	1.5
195.02850	3.2
195.06587	0.2
197.00749	0.2
197.08006	0.2
197.13231	0.2
205.01318	1.0
205.04869	0.4
206.03758	0.4
206.05713	6.7
207.69241	0.2
209.11687	0.2
211.13213	1.6
219.13788	0.3
221.08052	100.0
222.08391	2.2
224.06706	0.4
227.12743	0.7
229.14259	0.4
239.09102	0.4
249.14771	0.2
261.03949	0.4
267.15903	0.9
271.06207	0.2
273.07523	10.5
283.15356	0.5
285.07407	0.4
285.16919	0.3
315.08527	1.3
323.11426	0.2
325.06964	0.4
331.08008	0.5
341.21060	0.2
365.12265	5.2
373.09387	0.3
381.09781	0.2
383.13287	4.1
421.25558	0.2
439.26730	0.2
443.27371	0.2
451.13763	0.3
457.32938	0.2
461.28827	0.5
475.27011	0.5
493.15018	0.6
493.27060	0.5
590.76550	0.2
637.32452	0.3
655.32294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3516
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03931	9.4
55.01860	5.0
55.05255	1.5
55.05501	23.6
57.03174	1.5
57.03429	15.5
59.04995	1.0
65.03922	3.6
67.05495	44.2
69.03419	14.1
69.07057	10.8
69.94191	5.7
71.04974	6.8
73.02908	1.5
79.05482	64.1
79.39991	0.9
81.03407	88.8
81.07046	46.5
82.03729	1.7
82.88267	0.9
83.04967	27.4
83.08610	22.8
85.02418	1.3
85.02896	15.6
85.06519	2.3
91.05468	57.5
92.05819	1.8
93.07029	57.6
95.04953	37.8
95.08032	1.9
95.08590	23.4
96.05246	1.8
97.02877	15.8
97.06503	6.9
97.10155	6.2
98.20752	1.3
99.04453	2.5
99.08063	1.5
103.05464	2.0
105.04502	1.9
105.07014	45.8
106.07336	1.7
107.04945	10.3
107.08573	18.7
109.02875	9.5
109.06494	7.6
109.10133	6.0
111.04418	6.7
111.08065	10.3
113.05952	2.0
115.05428	2.3
117.06988	8.9
119.08563	30.0
121.06439	5.2
121.10109	10.3
123.08047	6.4
123.11698	1.8
125.09608	2.9
127.03887	7.1
127.07500	1.6
128.06189	2.5
129.05437	3.4
129.06981	23.1
131.08551	12.8
133.06448	4.4
133.10097	16.8
135.08052	2.1
135.11659	3.0
137.09651	2.1
141.06975	1.5
142.07745	2.5
143.08521	9.7
145.06451	2.4
145.10106	9.3
147.04425	1.3
147.08032	5.7
147.11665	35.9
148.12035	1.3
149.09641	5.8
157.06474	1.2
157.10129	11.7
161.09593	2.2
161.13257	8.5
163.11140	4.3
165.12732	3.1
169.10204	1.3
171.11678	17.5
173.04433	3.0
175.11148	12.5
181.12210	2.3
183.11694	1.4
185.20375	1.1
189.11201	1.5
189.12741	7.3
191.10612	1.9
193.12228	28.8
194.12584	1.8
207.13751	21.4
209.11690	1.3
211.13246	37.7
212.13591	1.7
223.14868	1.2
225.14819	2.5
227.12701	4.2
229.14310	1.1
249.14815	2.8
259.16855	1.2
267.15881	36.4
268.16251	1.9
269.15292	1.2
281.17441	61.3
282.17789	2.8
285.16931	11.1
287.16364	3.3
301.14496	1.2
309.17142	1.2
347.42462	1.1
355.17477	3.6
376.65747	1.3
411.19720	2.7
425.21442	1.2
429.21143	20.8
430.21783	1.4
455.28091	1.2
473.28909	100.0
474.29233	8.1
483.71030	1.0
488.78949	1.1
491.23416	1.4
491.30072	22.2
492.30280	1.9
515.29596	1.6
519.08026	1.0
571.32104	1.2
578.11902	1.1
617.33124	3.0
635.34167	46.7
636.34692	4.7
653.34595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3517
Annotation	Withanoside III
Peak:m/z	Relative Intensity
51.02358	1.6
52.03145	0.8
52.07411	0.9
53.03930	8.0
55.01866	12.8
55.05502	30.0
57.03425	16.0
57.07061	3.7
59.04977	2.3
61.02909	2.0
65.03928	3.2
67.05492	56.4
68.05822	1.2
69.03066	1.7
69.03419	27.4
69.06708	1.3
69.07062	15.0
69.07410	1.9
69.47713	2.0
69.48131	7.8
71.01330	2.3
71.04971	9.5
73.02894	2.7
73.06548	1.7
77.03905	1.8
79.05478	64.4
80.05782	1.1
81.03404	100.0
81.07040	53.3
82.03759	2.1
82.04187	1.4
82.07372	1.4
83.01308	3.0
83.04966	31.8
83.08131	1.5
83.08606	27.2
83.09100	1.4
85.02893	23.2
85.06519	3.8
87.04453	1.9
91.05464	61.7
92.05814	1.3
93.07027	59.3
95.01340	1.0
95.04955	41.1
95.08590	26.8
95.93861	0.9
96.08907	1.0
97.02877	26.9
97.06514	8.7
97.10147	10.9
98.20690	1.8
99.04450	6.6
99.08070	1.9
101.02374	1.3
103.05455	1.8
105.03407	1.0
105.04485	1.2
105.07014	46.7
107.04935	20.0
107.08574	23.8
108.95092	0.9
109.02857	15.1
109.06493	10.0
109.10132	12.2
111.04415	13.6
111.08061	12.2
113.05992	2.1
115.03896	2.7
115.05433	3.7
117.06999	13.9
119.04883	2.0
119.08564	31.7
121.02879	1.7
121.06498	8.3
121.10118	12.2
123.04428	6.9
123.08043	8.4
123.11677	2.8
125.02306	1.2
125.05979	1.5
125.09612	8.0
127.03892	12.3
127.11150	1.8
128.06192	3.3
129.05504	4.3
129.06981	22.4
130.07756	1.2
131.04895	2.5
131.08543	17.5
133.06468	5.3
133.10117	17.8
133.81300	1.0
135.04373	2.7
135.08032	4.7
135.11656	10.4
137.05896	1.6
137.09586	4.6
139.03835	1.0
139.07489	1.4
141.06989	1.3
142.07768	2.1
143.08545	8.2
145.04919	1.6
145.06485	4.6
145.10086	13.1
147.04398	2.8
147.08072	6.9
147.11665	34.0
149.05997	1.6
149.09596	6.1
149.13194	1.1
151.03897	1.4
151.07411	0.9
151.11159	1.0
153.05481	1.0
153.12712	5.5
155.08560	2.7
156.09265	1.2
157.06453	1.7
157.10104	13.1
159.08014	1.6
159.11684	3.2
161.05956	2.1
161.09572	4.1
161.13216	7.8
163.11140	13.2
165.05481	1.4
165.09109	1.8
165.12738	2.7
167.08562	2.1
169.10007	1.9
171.08043	2.8
171.11653	15.6
172.11945	1.3
173.04439	6.3
173.05884	2.0
173.09546	2.9
173.11771	1.2
173.13303	1.3
174.06641	0.8
175.07530	1.2
175.11140	10.9
177.05441	1.6
177.12694	1.3
181.12253	4.4
183.08002	1.5
183.11629	1.1
185.05922	2.1
185.09537	1.3
185.13075	1.0
187.07634	1.1
187.11026	1.3
189.05489	2.8
189.09137	1.2
189.11203	2.2
189.12712	7.6
190.06207	2.3
191.10619	4.8
193.12210	32.3
194.12592	1.2
195.08060	1.5
195.11565	1.0
199.05963	2.8
199.07585	1.5
199.14851	1.2
201.12816	0.9
203.06993	3.3
203.64902	0.9
207.13779	16.9
209.11601	5.3
211.13240	33.7
211.15221	1.7
213.09087	2.1
214.06242	4.2
215.06993	1.5
216.07784	2.9
217.04980	6.2
217.08549	8.3
223.07387	1.4
223.13127	1.5
225.14854	1.3
226.06274	2.9
227.06967	2.8
227.12721	10.6
227.14604	1.1
229.14398	2.4
230.05629	6.5
231.06451	1.3
232.07240	6.0
241.08536	12.6
242.09227	3.1
245.08017	4.8
249.14847	2.6
259.09601	12.7
260.10416	6.2
267.15884	34.8
268.16287	1.4
269.15411	1.6
273.14761	0.9
281.17416	47.2
282.17831	1.3
283.15405	7.9
285.16910	12.4
287.16306	2.9
319.15222	1.1
353.15771	2.8
355.17477	3.6
357.13187	0.9
391.17307	1.3
393.19479	1.0
399.25320	1.1
404.97528	1.2
411.20102	3.1
425.21460	1.6
427.19562	1.4
429.21185	12.4
431.14685	1.9
437.25262	5.6
447.14194	7.7
447.27069	1.2
448.14584	1.8
463.27322	1.2
473.16110	7.5
473.28934	81.2
474.16071	1.3
474.29123	5.9
491.17108	20.5
491.30511	15.5
492.17108	2.7
515.29883	1.6
617.32758	2.3
628.78882	1.2
635.34167	32.0
636.34283	1.1
653.21753	2.2
653.31390	15.6
654.31818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.7
67.05461	1.3
69.34489	0.5
71.62922	1.2
74.65969	0.5
75.47597	0.6
79.05486	1.0
80.58247	0.6
81.07034	1.8
91.05464	0.8
93.07034	1.1
95.02243	0.6
95.08619	1.0
105.07005	0.9
107.08585	1.1
121.10176	0.7
123.04186	0.6
123.75935	0.5
133.10106	0.6
143.08537	0.6
151.19795	0.6
199.15042	0.5
216.72720	0.6
221.10721	0.7
224.13034	0.8
235.12221	0.7
236.34598	0.6
312.14850	0.6
373.17810	0.6
375.16357	0.6
389.17496	1.0
390.18393	1.4
391.19073	2.2
397.97684	0.6
403.19342	2.6
404.20050	3.2
405.20758	9.7
406.21552	1.2
414.21957	1.0
416.20248	0.6
417.20865	1.7
418.21567	2.3
419.22333	7.0
420.22961	3.7
421.24179	0.9
431.22830	1.4
433.23822	6.1
434.24673	3.0
435.17972	1.2
445.19855	0.8
447.21722	2.2
447.26544	1.0
448.26364	1.1
449.19501	6.2
450.20306	2.7
451.20950	1.0
459.21814	1.8
462.21451	0.9
462.79544	0.6
463.21262	6.2
464.21774	3.5
465.22858	2.8
472.19049	1.0
473.23917	0.7
475.20844	1.5
476.22107	1.0
477.22952	3.0
478.23660	3.3
479.24359	31.8
480.24649	3.3
483.47934	0.6
486.20703	1.0
487.21136	5.4
488.22266	0.8
491.20581	2.0
491.25183	1.5
492.24887	2.0
493.25821	1.5
501.23047	4.6
502.23370	2.1
505.26523	0.8
506.26822	1.9
507.27536	17.5
508.27924	1.5
515.20496	0.8
519.24158	3.2
533.25446	3.9
534.26318	1.2
537.24823	10.5
538.25018	0.8
541.38934	1.6
550.25867	0.8
551.26453	26.8
552.26947	2.2
561.24847	6.9
562.25500	1.0
563.23236	0.9
565.27948	15.3
566.28778	56.6
567.29346	4.8
575.26416	0.8
589.24286	0.7
593.27466	7.7
594.28082	1.0
621.26965	12.8
622.27362	1.4
625.29865	0.9
635.28699	3.2
653.29584	100.0
654.29785	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	653.2959
Annotation	Haplophytine
Peak:m/z	Relative Intensity
70.74990	0.4
70.75341	1.1
79.05431	0.4
81.06993	0.5
83.12430	0.3
83.27106	0.3
85.88680	0.3
91.05447	0.3
93.06976	0.4
95.08549	0.4
99.00803	0.3
103.48849	0.3
107.08568	0.3
125.73158	0.3
145.10019	0.3
189.11079	0.3
208.40080	0.3
223.12265	0.5
224.12831	0.3
321.91635	0.3
339.20538	0.3
375.16690	0.6
376.16885	0.5
377.17505	1.4
389.18512	1.0
390.18677	1.0
391.19016	3.7
392.19714	1.5
393.21371	0.7
394.22443	0.3
403.19397	0.7
404.20056	1.3
405.15796	0.6
405.20697	8.8
406.21472	7.8
407.22183	1.2
417.21121	0.4
419.22879	2.2
420.22955	6.5
421.17526	0.7
421.23782	11.8
422.24329	0.6
431.22748	0.5
433.19177	3.5
433.24817	1.3
434.24622	1.4
435.18048	1.0
436.18762	2.7
437.18658	0.4
438.20139	0.4
445.20059	2.1
447.20926	2.1
449.19751	1.3
449.27399	0.4
450.20624	2.3
451.21356	1.5
452.22018	2.8
458.17441	0.4
459.17468	0.6
460.22586	2.5
461.23410	0.8
463.21960	0.8
463.76181	0.4
464.22110	0.6
465.22806	41.7
466.23087	2.1
473.19409	2.4
475.25595	1.9
477.26358	1.2
478.23834	1.1
479.24319	7.0
479.30920	0.5
480.25159	4.2
487.21204	2.1
488.22104	5.0
491.20062	2.2
492.20840	2.1
501.22791	1.2
503.24344	45.2
504.24777	3.0
505.22464	1.2
507.27606	3.3
533.25336	1.0
535.26984	32.7
536.27246	2.0
551.26434	4.5
552.27234	0.4
561.25275	1.7
566.28979	1.3
579.25958	35.4
580.26318	2.7
593.27606	1.5
594.18732	0.7
594.28217	11.7
595.28778	0.7
621.27020	10.1
622.27783	0.7
653.29596	100.0
654.30023	6.6
671.64215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2595
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
55.05510	1.0
57.69319	1.1
66.97486	1.1
67.01871	1.0
67.05486	2.5
69.07043	1.5
70.75444	2.5
70.75787	1.6
79.05494	1.9
81.07044	3.7
86.09700	3.4
87.10017	1.7
91.05449	2.0
93.07072	1.2
95.08603	2.2
100.11208	1.8
101.74947	1.0
107.08593	1.2
109.10168	1.2
119.08544	1.6
121.10126	1.8
125.00027	2.6
127.40875	0.9
129.39688	0.9
182.89951	0.9
184.07321	8.5
185.07674	3.0
186.07800	2.1
249.10274	1.2
314.12759	1.3
326.12659	1.2
363.16046	1.9
375.16354	1.4
376.17014	1.3
377.13428	1.1
377.17728	4.3
378.18396	4.7
379.18945	1.3
384.13239	1.1
389.17603	2.2
390.18375	3.1
391.19131	8.9
392.19904	4.3
393.20709	3.8
404.20169	2.0
405.20905	6.3
406.21506	3.0
407.22327	11.1
414.14346	1.7
417.20917	1.9
419.18079	1.9
419.22922	2.2
421.20282	5.5
431.18912	1.6
433.19788	2.3
434.21204	2.0
435.21713	13.1
436.22827	2.1
437.19431	2.7
445.20609	1.8
446.21005	1.3
447.21875	2.7
451.21161	4.1
459.17752	2.0
461.18774	1.7
461.24072	2.5
462.24283	2.1
463.21109	2.3
465.19043	9.0
466.20074	3.8
473.19766	2.0
474.20996	1.3
475.21326	2.1
477.18552	1.8
479.20682	17.9
480.21600	4.1
487.21420	1.5
489.18289	1.2
489.23782	1.7
493.26337	2.0
501.19104	3.8
502.19757	2.5
505.18008	6.1
506.19034	1.6
515.20746	6.3
516.21570	4.7
517.22266	25.8
518.22852	4.3
521.25647	7.3
522.26294	3.8
523.23157	2.0
533.21759	2.2
537.25299	5.4
538.25391	1.8
547.23285	4.6
548.20245	1.5
549.24951	35.7
550.25232	2.8
551.22705	8.8
565.24255	6.1
566.25244	21.4
575.22900	9.2
593.23822	14.6
594.24451	3.6
607.25336	6.0
609.27039	9.1
625.25568	2.8
635.24927	80.0
636.25183	4.5
653.25958	100.0
654.26215	6.7
684.31329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1701
Annotation	Quercetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03952	0.2
55.01880	0.5
55.05506	2.0
57.03423	0.6
61.02922	1.4
62.98770	0.2
65.03942	0.3
67.01857	0.4
67.05517	0.5
68.99789	0.5
69.03422	42.1
69.07063	0.3
70.03738	0.3
70.06579	0.3
71.01338	1.6
71.04987	4.2
71.62516	0.4
73.02894	0.2
79.05475	0.3
81.03423	0.8
81.07048	0.9
83.04974	10.7
85.02901	5.1
85.06505	0.3
87.04469	0.6
89.98611	0.2
91.05465	0.5
93.03402	0.3
93.07047	0.5
95.04966	0.6
95.08598	0.4
97.02876	0.5
97.06544	0.3
97.10162	0.6
99.04447	0.6
101.06039	0.3
103.83742	0.2
105.07028	0.6
107.04977	0.3
107.08601	0.5
109.02855	1.1
109.06517	0.3
109.10149	0.7
111.00809	0.7
111.04432	12.2
111.08099	0.5
119.04936	0.8
119.08567	0.3
121.02872	1.1
121.10143	0.4
122.06110	0.2
123.04399	0.4
125.09692	0.3
127.03907	0.7
129.05466	22.5
130.05777	0.2
133.10094	0.3
135.08057	0.3
135.11694	0.2
137.02332	2.3
137.05957	0.6
137.09622	0.8
147.04393	3.5
148.04753	0.3
149.02347	0.4
153.01796	2.8
154.88690	0.2
161.05995	0.3
161.09674	0.4
163.03889	0.5
165.01822	2.1
165.09094	0.7
167.06987	0.4
173.05983	0.3
177.05530	0.2
178.80528	0.2
183.02864	0.8
183.04320	0.3
189.07571	11.5
195.02892	0.2
201.05463	0.8
229.04942	3.3
233.11723	0.2
239.03308	0.2
247.05977	0.9
257.04440	2.4
273.07455	0.2
274.04663	0.6
275.05511	0.2
277.09073	0.2
285.03967	1.4
303.04962	100.0
304.05264	3.5
309.09735	0.3
315.05020	0.2
327.14322	0.3
345.05795	0.4
413.08405	0.4
463.26907	0.3
465.10260	22.1
466.10425	1.0
491.11630	0.7
653.14697	0.7
653.48718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01863	2.4
55.05504	30.4
57.03424	9.2
57.07065	2.8
59.04984	2.3
64.19759	2.0
67.05497	100.0
69.03421	25.2
69.07063	17.4
69.93661	14.8
71.04968	6.8
71.08645	2.7
73.02903	2.6
75.69168	2.0
76.82063	2.2
79.05479	40.1
81.03409	48.0
81.07045	63.1
83.04977	23.2
83.08604	13.4
85.02895	6.3
85.06521	4.8
86.09696	3.5
91.05471	29.6
93.07034	41.3
95.04970	12.2
95.08595	44.9
97.02885	13.1
97.06528	4.5
97.10135	12.4
99.04428	5.5
101.02387	2.8
105.07027	23.8
107.04975	4.3
107.08572	26.1
109.02853	5.4
109.06519	5.7
109.10134	66.3
111.04422	7.2
111.08054	7.7
115.05412	2.8
117.07025	13.3
119.08580	24.7
121.06488	2.8
121.10132	17.9
123.08017	3.2
123.11675	8.9
125.05988	3.4
125.09607	12.6
127.03893	9.8
129.05461	14.3
129.07002	7.0
131.08549	16.9
133.06525	2.8
133.10135	17.8
135.08066	6.1
135.11655	11.7
137.09579	7.1
141.06844	2.2
143.08551	10.5
145.06464	2.3
145.10123	15.3
147.04408	3.3
147.08054	3.6
147.11658	10.8
149.09596	5.4
149.13211	6.6
155.08543	6.1
157.10117	8.1
159.11690	10.6
160.48743	2.5
161.13248	6.8
163.11157	3.0
166.93057	2.2
167.08609	2.4
169.10120	5.5
171.11699	7.4
173.05820	2.5
173.09644	4.1
173.11719	17.3
173.13255	9.6
175.11220	2.5
175.14847	3.1
177.12738	4.1
183.11668	3.8
184.07370	8.2
185.13339	6.7
189.11229	8.3
215.63737	2.3
227.12595	13.4
229.14320	28.1
245.13676	5.0
259.20630	2.4
261.22110	8.8
263.23755	3.6
277.21515	4.6
289.17990	2.5
299.14694	3.1
301.21558	3.9
313.06345	2.8
329.16959	2.5
329.21313	2.3
335.25732	19.0
337.27316	10.5
351.23099	7.8
369.24167	9.1
371.16852	4.2
373.18500	8.1
387.25363	7.0
405.26208	4.5
461.28992	7.9
479.29849	4.5
489.35565	8.2
507.36670	3.7
519.36676	2.9
573.37445	3.1
597.37854	6.4
603.39502	2.4
615.38702	9.8
619.24573	2.6
627.03790	2.6
633.39819	46.8
651.40710	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	652.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88856	1.0
53.03936	2.0
55.01866	9.1
55.05502	20.5
57.03432	15.9
57.07063	3.3
58.33398	1.1
58.50391	1.2
59.04984	5.7
61.02921	7.0
64.96335	1.2
65.03925	1.8
67.05495	93.8
69.03421	8.2
69.07064	8.6
70.06582	1.7
71.04983	6.2
71.05305	1.1
71.62785	2.1
73.02908	4.7
79.05486	16.9
81.03398	16.5
81.07040	29.2
82.04196	3.2
83.04975	11.9
83.08603	9.9
85.02900	8.9
85.06536	3.1
86.09702	1.4
91.03934	3.9
91.05463	18.3
93.07030	18.7
95.04958	14.4
95.08597	17.9
97.02869	9.0
97.06537	6.6
97.10130	9.6
98.07325	3.1
99.04450	3.5
99.08051	1.6
105.07010	11.7
107.04922	5.1
107.08576	14.2
109.02859	2.0
109.06482	4.5
109.10139	94.0
111.04437	1.7
111.08084	6.1
116.04692	6.3
117.07005	5.0
119.04893	1.3
119.08553	16.8
121.06520	3.1
121.10117	7.7
123.04422	2.8
123.08063	4.4
123.11704	2.6
125.09618	12.8
127.03870	2.2
127.11219	2.0
129.05463	21.1
129.07019	3.2
131.08502	5.7
133.10103	8.0
135.08028	3.1
135.11667	6.3
137.09616	6.9
139.03871	1.4
143.07008	6.6
145.10077	6.7
147.04424	6.8
147.08046	1.5
147.11676	5.2
149.09586	3.1
149.13239	2.1
151.03841	1.5
151.11179	1.8
153.01727	1.6
155.10657	7.1
157.08578	9.7
157.10097	4.0
158.05811	1.5
159.11658	2.3
163.11147	7.8
165.01862	4.0
165.09102	3.2
165.12721	1.7
171.02866	1.6
171.06546	2.1
171.10233	2.5
171.11610	1.8
173.09570	2.1
173.11705	40.5
175.11179	4.1
181.12210	2.4
183.02890	3.9
184.07310	2.6
185.08015	1.9
189.11191	6.1
191.10692	3.2
193.12210	4.2
197.13277	1.6
199.09641	2.2
199.13225	11.5
200.14072	3.0
203.14349	1.5
209.11713	6.4
211.13283	2.2
227.12737	10.2
229.14314	100.0
255.15933	2.5
267.15829	7.2
273.07468	1.5
283.15378	13.0
283.18552	1.8
284.16040	1.6
285.07526	3.7
286.07837	2.5
301.16394	55.1
308.21246	1.3
311.18640	1.8
339.21149	1.1
353.23355	4.4
371.24100	11.5
383.24216	18.8
397.87814	1.2
421.25858	7.8
437.25259	8.2
438.26099	7.4
455.26306	76.5
461.28726	3.6
473.28821	1.7
495.14682	1.2
652.35815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
55.01863	2.4
55.05504	30.4
57.03424	9.2
57.07065	2.8
59.04984	2.3
64.19759	2.0
67.05497	100.0
69.03421	25.2
69.07063	17.4
69.93661	14.8
71.04968	6.8
71.08645	2.7
73.02903	2.6
75.69168	2.0
76.82063	2.2
79.05479	40.1
81.03409	48.0
81.07045	63.1
83.04977	23.2
83.08604	13.4
85.02895	6.3
85.06521	4.8
86.09696	3.5
91.05471	29.6
93.07034	41.3
95.04970	12.2
95.08595	44.9
97.02885	13.1
97.06528	4.5
97.10135	12.4
99.04428	5.5
101.02387	2.8
105.07027	23.8
107.04975	4.3
107.08572	26.1
109.02853	5.4
109.06519	5.7
109.10134	66.3
111.04422	7.2
111.08054	7.7
115.05412	2.8
117.07025	13.3
119.08580	24.7
121.06488	2.8
121.10132	17.9
123.08017	3.2
123.11675	8.9
125.05988	3.4
125.09607	12.6
127.03893	9.8
129.05461	14.3
129.07002	7.0
131.08549	16.9
133.06525	2.8
133.10135	17.8
135.08066	6.1
135.11655	11.7
137.09579	7.1
141.06844	2.2
143.08551	10.5
145.06464	2.3
145.10123	15.3
147.04408	3.3
147.08054	3.6
147.11658	10.8
149.09596	5.4
149.13211	6.6
155.08543	6.1
157.10117	8.1
159.11690	10.6
160.48743	2.5
161.13248	6.8
163.11157	3.0
166.93057	2.2
167.08609	2.4
169.10120	5.5
171.11699	7.4
173.05820	2.5
173.09644	4.1
173.11719	17.3
173.13255	9.6
175.11220	2.5
175.14847	3.1
177.12738	4.1
183.11668	3.8
184.07370	8.2
185.13339	6.7
189.11229	8.3
215.63737	2.3
227.12595	13.4
229.14320	28.1
245.13676	5.0
259.20630	2.4
261.22110	8.8
263.23755	3.6
277.21515	4.6
289.17990	2.5
299.14694	3.1
301.21558	3.9
313.06345	2.8
329.16959	2.5
329.21313	2.3
335.25732	19.0
337.27316	10.5
351.23099	7.8
369.24167	9.1
371.16852	4.2
373.18500	8.1
387.25363	7.0
405.26208	4.5
461.28992	7.9
479.29849	4.5
489.35565	8.2
507.36670	3.7
519.36676	2.9
573.37445	3.1
597.37854	6.4
603.39502	2.4
615.38702	9.8
619.24573	2.6
627.03790	2.6
633.39819	46.8
651.40710	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	651.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
55.01865	4.7
55.05503	27.5
56.18005	1.9
56.52057	2.1
57.03435	14.8
57.07057	7.2
58.90468	2.0
59.04990	3.5
61.02906	2.5
65.03913	6.0
67.05500	100.0
69.03429	24.2
69.07063	18.9
71.04983	3.4
71.08626	2.6
71.62768	2.9
73.02911	2.8
79.05488	27.8
81.03412	44.4
81.07048	58.1
83.04958	16.5
83.08622	10.9
85.02890	6.7
85.06551	2.9
86.09687	7.3
89.09186	2.7
91.04962	2.8
91.05475	35.1
93.07033	40.5
95.04939	9.2
95.08596	39.5
97.02879	13.2
97.06495	6.3
97.10146	13.7
99.04432	3.1
105.07024	28.8
105.30283	2.4
107.04958	6.8
107.08579	21.4
109.02856	7.6
109.06493	6.9
109.09444	4.4
109.10146	58.8
111.04417	6.5
111.08047	7.0
113.08858	2.4
115.05402	2.4
117.07014	15.3
119.08563	29.7
121.06532	2.3
121.10171	15.6
123.11681	6.9
124.99980	7.8
125.09635	10.1
127.03918	6.7
128.06190	3.8
129.05489	8.0
129.06999	7.4
131.08556	18.7
133.06485	3.9
133.10103	15.5
135.08023	4.9
135.11674	10.2
137.09541	4.1
139.11143	2.2
143.08537	6.8
145.06439	3.6
145.10118	16.0
147.08034	3.5
147.11676	8.7
149.09621	5.5
149.13243	6.4
155.08559	5.0
157.06458	2.9
157.10092	7.3
159.08073	3.4
159.11650	10.2
161.09599	4.3
161.13232	6.4
163.14716	2.3
165.12860	2.3
165.27602	2.2
169.10124	7.1
171.11673	5.9
173.11711	16.2
173.13264	8.6
175.11174	3.2
181.10091	4.0
182.07231	2.1
183.11560	3.7
184.07323	34.8
184.08949	2.9
185.07660	3.6
185.09525	3.8
185.13176	4.7
187.11116	2.8
189.11205	7.6
197.13242	3.5
199.14812	5.1
209.13228	2.8
227.12811	8.1
229.14297	30.0
229.16280	3.4
245.13808	2.7
259.20508	3.4
261.22226	5.7
278.42612	2.2
289.21484	2.7
291.22974	2.5
301.21722	3.9
335.25916	12.5
337.27267	4.9
351.23138	7.0
353.24796	2.9
369.24216	11.3
371.26199	2.6
373.18262	6.2
387.25262	4.3
395.20569	3.3
405.26245	4.9
443.27618	4.1
461.29056	5.2
479.29745	4.9
489.35632	11.8
510.38809	3.5
597.37604	8.0
615.38647	11.5
633.39722	35.0
651.29382	4.4
651.42047	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30865	0.5
51.02377	0.5
52.07557	0.5
53.03924	1.5
55.01857	1.0
55.05497	3.9
57.03414	1.5
65.03922	1.4
67.05492	7.9
69.03441	2.6
69.07059	3.0
69.32726	6.2
71.04959	1.5
73.93375	0.6
79.05484	7.1
81.03409	5.0
81.07046	9.4
83.04975	4.1
83.08591	2.5
85.02892	1.7
86.09647	0.6
91.05464	18.0
91.71379	0.6
93.07034	11.0
95.04957	3.8
95.08591	11.4
97.02869	2.0
97.06500	1.9
97.07162	0.5
97.10149	1.3
99.04455	1.0
99.08080	1.2
105.07021	12.0
106.07327	0.6
107.04946	1.9
107.08578	11.2
109.06495	1.8
109.10143	5.5
111.04430	0.7
111.08092	1.3
117.07003	3.3
119.04086	1.3
119.04929	23.6
119.08567	16.2
121.06496	1.8
121.10137	9.2
123.04323	0.6
123.08071	1.7
123.11692	2.3
125.09612	2.0
127.03894	1.3
128.06239	1.0
129.06990	3.1
130.07758	0.6
131.08556	6.8
133.06450	0.6
133.10106	9.7
135.04420	0.6
135.08028	1.3
135.11687	4.7
137.09608	1.8
137.13249	0.7
141.06950	0.9
142.07761	1.3
143.08539	4.0
144.09343	0.7
145.10107	12.7
147.04387	100.0
147.11662	8.0
148.04723	1.6
149.09601	1.7
149.13231	1.9
151.07594	0.7
151.11189	1.2
153.01889	0.6
153.09073	0.9
153.12831	0.6
155.08531	0.7
156.09235	1.2
157.10103	5.3
159.11661	7.3
161.09570	1.2
161.13205	5.5
163.03899	0.6
163.07516	0.7
163.11194	2.5
163.14803	2.1
165.05453	2.3
165.09137	0.6
165.12753	0.6
167.10689	0.5
169.10091	1.9
171.11694	5.1
173.09630	0.9
173.13232	6.5
175.07643	0.6
175.11116	0.9
175.14818	5.2
177.09108	0.7
177.16345	2.2
183.11670	2.5
184.07338	1.5
184.12514	0.6
185.13220	5.4
187.13179	0.6
187.14810	10.8
189.12701	1.0
189.16368	4.4
191.14279	2.3
191.17935	1.0
197.13177	1.6
199.14827	6.6
201.16338	8.9
203.14346	3.2
203.17865	2.8
205.15849	2.6
207.13701	1.0
211.14764	1.6
213.16348	5.9
215.14284	1.0
215.17842	2.8
217.15894	2.5
217.19450	0.8
219.13887	0.9
219.17435	2.4
221.15300	1.4
223.14886	0.6
225.16379	1.2
227.12627	0.9
227.17813	0.7
229.19431	1.4
231.17430	1.3
233.15462	1.3
235.16931	1.1
239.17960	0.9
241.19511	1.2
245.15283	1.0
247.16893	1.8
249.14870	2.5
249.18686	0.8
253.19370	1.3
255.21057	0.7
257.19122	0.6
259.16968	1.0
261.18518	1.6
265.14441	0.6
267.21005	1.1
269.15399	0.7
273.18475	0.7
279.21112	0.8
281.17450	3.6
281.22430	0.8
283.15292	3.0
307.24188	0.8
327.23080	0.7
353.16281	0.6
375.30197	0.7
387.30377	1.8
389.31967	0.8
405.31476	9.0
407.33105	2.9
421.31107	2.1
423.32565	6.9
427.19666	1.4
433.30869	3.4
441.33640	1.0
451.31979	6.8
453.33575	0.8
469.33081	8.7
471.27145	0.7
487.34344	1.4
489.28259	2.7
633.31897	2.7
651.32654	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	651.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
55.01865	4.7
55.05503	27.5
56.18005	1.9
56.52057	2.1
57.03435	14.8
57.07057	7.2
58.90468	2.0
59.04990	3.5
61.02906	2.5
65.03913	6.0
67.05500	100.0
69.03429	24.2
69.07063	18.9
71.04983	3.4
71.08626	2.6
71.62768	2.9
73.02911	2.8
79.05488	27.8
81.03412	44.4
81.07048	58.1
83.04958	16.5
83.08622	10.9
85.02890	6.7
85.06551	2.9
86.09687	7.3
89.09186	2.7
91.04962	2.8
91.05475	35.1
93.07033	40.5
95.04939	9.2
95.08596	39.5
97.02879	13.2
97.06495	6.3
97.10146	13.7
99.04432	3.1
105.07024	28.8
105.30283	2.4
107.04958	6.8
107.08579	21.4
109.02856	7.6
109.06493	6.9
109.09444	4.4
109.10146	58.8
111.04417	6.5
111.08047	7.0
113.08858	2.4
115.05402	2.4
117.07014	15.3
119.08563	29.7
121.06532	2.3
121.10171	15.6
123.11681	6.9
124.99980	7.8
125.09635	10.1
127.03918	6.7
128.06190	3.8
129.05489	8.0
129.06999	7.4
131.08556	18.7
133.06485	3.9
133.10103	15.5
135.08023	4.9
135.11674	10.2
137.09541	4.1
139.11143	2.2
143.08537	6.8
145.06439	3.6
145.10118	16.0
147.08034	3.5
147.11676	8.7
149.09621	5.5
149.13243	6.4
155.08559	5.0
157.06458	2.9
157.10092	7.3
159.08073	3.4
159.11650	10.2
161.09599	4.3
161.13232	6.4
163.14716	2.3
165.12860	2.3
165.27602	2.2
169.10124	7.1
171.11673	5.9
173.11711	16.2
173.13264	8.6
175.11174	3.2
181.10091	4.0
182.07231	2.1
183.11560	3.7
184.07323	34.8
184.08949	2.9
185.07660	3.6
185.09525	3.8
185.13176	4.7
187.11116	2.8
189.11205	7.6
197.13242	3.5
199.14812	5.1
209.13228	2.8
227.12811	8.1
229.14297	30.0
229.16280	3.4
245.13808	2.7
259.20508	3.4
261.22226	5.7
278.42612	2.2
289.21484	2.7
291.22974	2.5
301.21722	3.9
335.25916	12.5
337.27267	4.9
351.23138	7.0
353.24796	2.9
369.24216	11.3
371.26199	2.6
373.18262	6.2
387.25262	4.3
395.20569	3.3
405.26245	4.9
443.27618	4.1
461.29056	5.2
479.29745	4.9
489.35632	11.8
510.38809	3.5
597.37604	8.0
615.38647	11.5
633.39722	35.0
651.29382	4.4
651.42047	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.05501	5.5
56.05796	0.6
57.03431	0.9
57.07050	1.3
62.11197	0.6
62.50621	0.6
65.03917	2.4
67.05493	7.6
69.03408	2.4
69.07056	5.5
70.75073	0.6
70.75441	1.9
71.04967	1.1
73.45786	0.7
76.19814	0.5
79.05479	8.0
81.03400	2.6
81.07044	19.2
83.04967	5.2
83.08608	4.5
85.02875	2.0
85.03361	0.7
85.06508	0.8
86.09700	1.1
89.03923	1.1
91.05465	19.2
93.07030	16.3
95.04961	5.0
95.08588	21.2
96.08945	0.8
97.02870	1.1
97.06498	1.7
97.10149	1.5
99.08078	3.0
105.06293	0.8
105.07017	19.8
107.04951	2.0
107.08578	24.1
109.06523	4.2
109.10134	12.6
111.04434	3.0
111.08064	2.3
115.05469	0.9
115.95983	0.6
117.03347	0.8
117.07031	2.4
119.04929	25.4
119.08565	28.9
120.05244	0.9
121.06480	0.9
121.10122	16.1
123.04369	1.7
123.08046	1.7
123.11680	5.0
125.09605	6.0
128.06198	1.1
129.06984	2.3
130.07779	0.6
131.08543	12.1
133.10117	19.0
135.04416	3.0
135.08003	1.3
135.11679	8.0
137.09621	1.7
137.13223	0.8
139.03867	4.0
141.06956	1.2
142.07767	1.7
143.08549	8.0
145.02843	1.9
145.06471	0.8
145.10106	23.6
147.04387	100.0
147.11665	12.5
148.04695	2.7
149.09581	1.3
149.13254	5.2
151.07503	1.3
151.11166	2.9
155.08513	1.9
156.09230	0.9
157.10106	10.4
158.10864	1.2
159.08073	0.8
159.11664	19.2
160.12122	0.8
161.09569	0.7
161.13228	9.5
163.03891	18.0
163.07565	1.4
163.11209	1.9
163.14810	3.5
165.05457	6.8
165.12773	1.5
169.10101	4.0
170.10901	1.3
171.11673	7.7
172.12294	1.0
173.13239	12.7
174.13734	0.8
175.11151	0.9
175.14798	9.8
177.09061	0.9
177.16360	3.0
179.14171	1.0
181.04906	3.0
181.10201	1.0
181.12224	0.9
183.11681	4.2
184.07320	2.1
184.12370	0.8
185.13249	13.0
187.14801	25.8
188.15184	0.7
189.16364	7.3
191.14301	2.6
191.17928	2.3
193.15868	1.1
195.11707	1.5
197.13251	4.0
199.14801	13.7
201.16367	19.0
203.14262	7.1
203.17926	3.0
205.15852	7.4
207.17470	1.3
209.13206	2.1
211.14804	5.0
213.16344	11.5
214.16809	1.0
215.14360	2.0
215.17899	5.8
217.15790	3.7
217.19463	1.2
219.13820	0.7
219.17392	6.7
221.13203	0.7
223.14743	1.8
225.16344	1.8
227.17891	2.5
229.15915	1.1
229.19327	0.8
231.17401	3.8
233.15401	3.1
233.18961	1.7
235.16911	1.5
237.16414	1.2
239.17957	2.0
241.19460	2.4
243.17401	0.8
243.21075	1.1
245.15317	2.4
247.16887	3.4
249.14716	3.1
251.17992	1.4
253.19518	1.4
255.21118	1.8
257.18839	0.7
259.16971	2.5
261.18475	1.2
265.19559	1.9
267.20975	3.0
269.19324	0.7
273.18271	1.1
281.17365	0.9
281.22504	1.4
283.20511	1.1
287.20313	0.9
299.20142	0.8
309.22128	0.9
325.21887	0.9
333.25708	0.8
347.27200	1.1
387.30505	4.1
389.32126	2.0
393.27823	2.1
394.69885	0.7
405.31439	23.7
406.31851	1.2
406.69891	1.0
407.28586	0.7
407.33182	9.6
408.33173	1.1
411.28934	0.9
415.29980	0.8
421.31320	1.4
423.32529	6.5
433.30994	7.6
435.32538	1.4
441.33011	1.0
451.32040	16.7
453.33490	3.6
469.26443	1.3
469.33060	19.9
500.02298	0.8
546.95990	0.6
633.36316	0.7
651.32904	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	651.388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
53.82249	0.5
55.05503	3.2
57.03416	0.4
57.07050	0.9
61.74219	0.4
63.88117	0.3
65.03921	1.3
67.05161	0.5
67.05496	5.1
69.03404	0.9
69.07059	3.2
69.65789	2.8
71.04953	0.5
78.25401	0.3
78.70103	0.3
79.05480	4.0
81.03414	0.6
81.07044	8.3
83.04963	1.5
83.08616	1.8
85.06520	0.5
86.09676	0.6
91.05462	14.6
93.07029	8.5
95.04942	1.8
95.08588	12.1
97.02814	0.4
97.06518	1.4
97.10168	0.9
98.21455	0.8
99.04443	0.5
105.07013	11.4
107.04922	0.7
107.08576	11.5
108.08907	0.4
109.05820	0.4
109.06465	2.0
109.09422	0.7
109.10129	6.3
111.08056	0.8
112.94043	0.4
117.07027	1.9
119.04919	24.6
119.08556	16.8
120.05264	0.6
120.08797	0.4
121.06489	0.8
121.09287	0.7
121.10116	8.0
123.04425	0.4
123.08058	0.5
123.11665	2.1
125.05925	0.4
125.09624	0.4
128.06206	0.8
129.06982	1.7
130.07822	0.5
131.08533	7.5
131.66969	0.5
133.10104	11.0
135.08090	0.9
135.11673	4.3
137.06035	0.5
137.09558	1.9
139.11177	0.5
141.06956	0.6
142.07730	1.2
143.08530	4.2
144.09291	0.5
145.10094	13.8
146.10428	0.5
147.04382	100.0
147.11664	8.8
148.04758	2.1
149.09595	1.7
149.13254	2.7
151.11143	1.0
153.09079	1.0
155.08517	1.2
156.09323	1.5
157.10097	7.1
158.10881	0.7
159.11682	9.5
161.09627	1.0
161.13232	5.5
163.07494	0.8
163.11143	1.2
163.14818	2.6
165.05463	1.4
165.09085	0.8
165.12744	0.5
167.10646	0.7
169.10075	2.2
170.10881	1.6
171.11655	5.6
172.12410	0.5
173.09535	0.9
173.13220	7.0
175.11160	1.4
175.14793	5.0
177.09088	1.3
177.12704	1.5
177.16359	2.8
179.14154	0.5
182.10863	0.5
183.11661	1.7
184.07321	1.1
184.12416	0.5
185.13239	6.9
187.11142	0.9
187.14786	11.8
189.12726	1.6
189.16347	7.5
191.14304	2.4
191.17807	2.0
193.15903	0.9
195.11749	0.6
197.13223	3.2
199.11082	0.4
199.14804	4.8
201.16333	8.8
203.14259	4.7
203.17967	3.4
205.12308	0.5
205.15834	3.3
207.13725	0.8
207.17438	0.5
209.13307	0.7
211.14865	0.9
213.16333	2.5
215.14310	2.1
215.17879	4.0
217.15866	4.1
217.19510	0.8
219.17366	1.1
221.15359	1.1
223.14742	0.6
225.16388	1.2
227.17899	1.7
229.15953	1.0
229.19344	2.5
231.17424	1.7
233.15254	1.1
235.14850	0.4
235.16853	2.1
237.16380	1.0
239.17877	1.1
241.19527	0.9
243.21075	0.5
247.16901	4.7
249.18475	0.9
253.19417	0.7
259.16806	0.5
261.18396	2.8
267.20999	0.8
275.19986	0.9
279.20999	0.6
291.20929	0.5
299.20044	0.9
309.22101	0.9
323.27493	0.5
369.27878	0.6
377.31577	0.5
387.30246	1.8
393.27228	0.8
393.31668	0.9
405.31403	8.4
406.31372	0.5
421.30930	6.9
423.32504	10.2
424.32870	0.7
433.31079	3.7
439.32190	0.8
441.33597	2.2
451.32001	12.4
452.32068	0.8
469.33185	5.6
584.16211	0.5
651.38281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	1.5
51.02356	2.1
53.03932	14.0
55.01858	14.9
55.05502	34.3
57.03428	22.2
57.07060	2.2
61.02913	3.7
65.03927	6.3
67.05493	89.3
69.03417	44.2
69.06712	1.5
69.07060	15.3
69.35131	7.5
69.35560	4.9
71.01349	5.5
71.04983	12.3
73.02904	5.0
73.06537	3.1
77.03912	2.0
79.05479	82.3
81.03403	100.0
81.07042	65.3
83.01303	2.1
83.04968	28.8
83.08607	12.6
85.02413	2.7
85.02892	32.0
85.06512	5.0
85.59918	1.3
86.09691	1.8
87.04475	1.6
89.06725	1.2
91.05464	74.1
93.07026	77.3
95.01316	1.4
95.04952	46.4
95.08588	39.9
97.02282	1.4
97.02879	25.3
97.06509	10.6
97.10179	11.3
98.07303	1.4
99.04428	13.4
99.08071	1.9
101.02356	1.7
101.05956	1.4
103.05467	4.2
105.04530	2.2
105.07014	55.3
107.04933	29.2
107.08577	30.5
109.02861	26.9
109.06486	11.1
109.10137	25.6
111.04431	11.4
111.08080	5.8
113.02379	1.7
115.03831	1.4
115.05450	2.5
117.06991	21.8
119.04948	4.2
119.08560	33.0
121.06495	8.6
121.10121	12.3
123.04401	14.8
123.08058	9.0
123.11629	1.5
125.06007	2.3
125.09609	7.9
127.03907	19.3
127.07553	1.2
128.06194	5.1
129.05516	2.3
129.06981	23.6
130.07764	2.3
131.03372	4.8
131.04926	3.9
131.08531	17.7
133.06461	7.6
133.10117	14.8
135.04404	13.3
135.08018	4.6
135.11674	9.9
137.05992	2.2
137.09579	4.1
139.03928	1.7
139.07489	1.5
141.06993	2.1
142.07803	1.6
143.08542	14.7
145.06427	6.6
145.10100	21.5
147.04417	6.8
147.07954	6.0
147.10483	2.0
147.11656	37.6
149.05968	1.6
149.09602	3.5
149.13240	2.7
151.11160	1.7
151.30496	1.3
152.45010	1.5
153.05432	7.4
153.09067	1.6
153.12743	3.4
155.08559	3.7
155.10623	1.9
156.09280	1.3
157.06476	3.1
157.10123	4.6
159.08064	2.7
159.11685	3.9
161.05946	1.8
161.09619	5.7
161.13242	12.2
163.03900	4.3
163.11176	13.8
165.05365	2.4
169.10118	2.8
171.06526	1.7
171.07968	1.6
171.11652	24.6
173.04443	32.0
173.05894	1.7
173.09616	5.8
173.11711	5.2
173.13152	3.0
175.11176	2.7
177.12740	3.1
181.04878	3.1
181.10124	2.7
181.12224	4.9
183.06413	1.8
183.07956	2.4
183.11731	2.2
184.07288	3.0
185.09590	2.8
185.13274	2.7
187.11096	1.9
189.12680	12.3
191.10594	7.3
193.12219	4.7
194.10982	1.4
199.05998	21.5
199.13245	4.4
205.12152	2.0
207.13789	30.3
208.14011	2.0
209.11696	17.7
211.13235	2.6
221.13330	1.5
223.13153	1.8
225.12820	1.6
225.14793	5.5
227.12689	8.5
229.14259	11.1
229.15782	1.2
233.15393	3.0
255.15932	1.8
259.16898	3.7
261.14850	1.5
265.14313	2.9
269.15527	2.5
279.15958	2.7
281.17429	57.2
283.15353	18.7
287.16388	5.3
307.19092	1.7
308.55530	1.3
309.17038	2.4
335.18494	1.8
336.31445	1.5
343.22839	1.4
350.97394	1.4
351.17905	1.5
353.15878	5.8
405.26349	2.9
409.18857	1.7
417.26263	2.1
423.27362	3.9
427.19562	12.4
435.27344	40.8
446.29504	1.4
451.12872	1.6
461.28876	8.3
471.27289	5.4
489.28397	49.9
490.28528	1.7
507.29352	3.4
569.31299	2.9
615.31866	3.1
633.32507	21.5
651.33423	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.6
55.05499	1.9
57.07060	0.4
65.03925	1.5
67.05491	3.0
69.03400	0.5
69.07056	2.8
71.04988	0.4
71.33030	0.8
77.03928	0.3
79.05484	2.8
81.03407	0.4
81.07046	7.0
83.04959	0.8
83.08607	1.7
84.34715	0.3
85.02856	0.4
86.09664	0.5
91.05466	11.4
92.05807	0.5
93.07030	6.4
95.04967	1.7
95.08588	10.8
97.06494	0.5
97.10153	0.7
105.07012	8.1
107.08577	10.8
109.06512	1.5
109.10137	5.8
111.08046	1.1
113.06001	0.4
115.05377	0.3
117.06973	1.3
119.04922	20.5
119.08559	13.5
120.05194	0.5
121.02852	5.1
121.06481	0.8
121.10118	7.0
123.04391	0.4
123.08038	1.0
123.11666	1.5
125.05984	0.3
125.09586	0.5
128.06192	0.4
129.06976	0.9
131.08540	7.5
133.10112	10.5
135.08034	1.2
135.11662	3.6
137.09581	1.5
137.13152	0.4
139.07510	0.4
142.07721	0.9
143.08525	3.3
144.09296	0.9
145.06438	0.3
145.10106	11.1
147.04385	100.0
147.11662	7.3
148.04732	1.8
149.09587	1.6
149.13237	2.5
151.07571	0.5
151.11137	1.2
153.09076	0.9
155.08591	0.7
156.09323	1.1
157.10106	5.6
157.11302	0.5
158.10829	0.5
159.08034	0.5
159.11665	9.3
161.09599	1.3
161.13219	4.3
163.03827	0.6
163.07452	0.5
163.11162	0.8
163.14848	2.3
165.05450	4.7
165.09073	0.6
165.12720	0.3
167.08537	0.4
167.10611	0.5
169.10110	1.2
170.10876	1.1
171.11642	4.2
173.09651	0.4
173.13245	6.6
173.14659	0.5
175.11160	1.3
175.14783	4.8
177.09128	1.0
177.12744	0.9
177.16360	2.7
181.04947	1.5
182.10921	0.3
182.27582	0.3
183.11641	1.7
184.07314	0.8
184.12444	0.6
185.13231	4.3
187.11203	0.6
187.14777	10.4
189.12708	1.1
189.16357	5.1
189.18001	0.2
189.71356	0.3
191.14272	2.6
191.17967	1.5
193.10336	0.3
195.11708	0.8
197.13174	2.1
199.14804	4.0
201.12703	0.5
201.16356	8.8
201.18201	0.5
203.14294	3.5
203.17909	3.8
205.15866	3.6
205.19440	0.4
207.11729	0.4
207.13817	0.9
209.13237	0.5
209.15379	0.3
211.14809	1.1
213.16385	2.2
215.14496	1.7
215.17938	3.6
217.15875	3.3
219.13754	0.6
219.17410	1.1
221.15381	0.6
223.14838	0.5
225.16376	0.6
227.17964	1.2
229.15839	1.1
229.19542	1.2
231.17439	2.1
233.15263	1.0
233.18961	0.4
235.16917	1.2
237.16289	0.7
239.17868	0.9
241.19502	1.1
243.21036	0.6
245.15312	0.5
247.16870	4.8
249.18483	0.9
251.16356	1.1
253.19507	0.9
255.21101	0.8
259.16937	0.6
261.18399	2.5
265.19583	0.4
267.21063	0.6
273.18649	0.3
275.20065	0.8
279.21210	0.5
291.21130	0.4
299.19998	0.5
303.23364	0.3
309.22025	0.9
309.25626	0.4
313.21536	0.6
323.27307	0.9
327.23074	0.9
335.23212	0.3
341.28342	0.3
347.27145	0.6
355.26257	0.6
369.27725	0.8
375.30319	0.5
377.31873	0.5
387.30441	1.4
393.31622	0.5
405.31488	7.6
406.31885	0.6
407.33313	0.8
421.30966	4.4
423.32523	9.1
424.32593	0.6
433.30887	2.7
439.32147	0.7
441.33484	2.1
451.31989	11.0
452.32385	0.4
453.33426	0.7
459.34579	1.0
468.21652	0.3
469.33057	5.5
522.31818	0.3
615.36511	0.6
633.37524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.8
53.03940	17.3
55.01859	14.1
55.05258	2.4
55.05503	35.4
57.03431	22.1
57.07050	2.3
59.04999	1.9
63.84867	1.5
65.03929	4.5
67.05492	68.3
69.03420	32.0
69.07051	20.6
69.83692	1.6
71.04689	1.5
71.04987	16.3
73.02888	2.9
73.06543	2.5
77.03919	3.3
79.05480	100.0
80.05805	2.0
81.03405	99.1
81.06566	3.6
81.07043	67.3
83.01315	5.9
83.04966	41.7
83.08611	21.1
84.71030	1.6
85.02883	18.7
85.06508	5.0
86.93172	1.7
87.04434	2.2
88.75059	1.7
91.05466	85.4
92.05808	3.2
92.47106	1.8
93.07028	97.0
94.07306	1.8
95.04948	40.1
95.08591	48.2
97.02877	21.9
97.06503	12.4
97.10161	8.3
99.04441	13.0
99.08070	3.2
103.05433	4.0
105.04489	3.6
105.07012	63.6
107.04939	36.2
107.08572	40.2
109.02852	19.8
109.06492	13.8
109.10121	15.8
111.04417	17.7
111.08053	8.7
115.05448	3.1
117.07000	26.2
119.04918	11.8
119.08559	53.2
121.06485	9.4
121.10130	22.3
123.04426	4.9
123.08053	12.8
123.11674	1.7
125.09600	5.9
127.03897	19.7
128.06213	8.5
129.05481	2.9
129.06987	30.0
130.07727	3.6
131.04890	4.2
131.08557	23.4
132.25034	1.8
133.06483	6.0
133.10121	23.6
135.04407	2.2
135.08008	6.0
135.11670	22.4
137.09576	7.1
139.07509	2.1
141.06900	4.0
143.08554	18.4
145.06438	4.7
145.10103	34.4
147.04379	60.1
147.05496	3.7
147.07985	9.7
147.11667	42.1
149.09570	6.0
153.09097	3.9
153.12750	12.5
155.08556	7.2
157.06424	3.2
157.10097	8.3
158.07210	2.0
159.08035	4.8
159.11661	12.0
161.09575	7.9
161.13223	14.4
163.11148	30.9
165.05481	3.9
165.09067	1.9
167.08459	1.9
169.10136	2.9
171.08066	2.4
171.11662	31.9
173.04457	4.3
173.09612	9.0
173.13252	6.9
175.11182	3.1
175.14789	3.6
177.12663	2.6
177.16536	1.8
181.12173	11.1
183.11685	2.6
184.07315	6.5
185.13222	8.6
187.14815	5.7
189.11220	3.3
189.12706	12.5
189.16354	4.4
191.10660	16.7
191.14294	2.7
195.11713	2.5
199.11281	1.7
199.14799	5.8
201.12643	2.6
201.16299	5.5
203.14232	2.1
205.15939	3.1
207.13794	29.3
209.11705	12.6
209.13322	2.1
213.16257	2.8
215.14348	2.4
216.14764	2.0
217.15793	2.7
223.14819	1.9
224.54491	2.1
225.14767	3.7
227.12695	22.3
233.15279	3.9
241.15959	3.7
245.15335	3.9
247.17047	2.9
259.16940	5.4
265.14285	10.6
269.15286	4.7
281.17422	72.7
283.15341	55.9
287.16354	9.9
289.14496	2.1
305.17343	3.0
351.17825	2.5
353.16013	9.4
361.19882	2.2
401.92548	1.9
405.31406	6.3
409.18521	2.9
423.32260	5.3
425.21552	5.7
427.19662	35.1
451.31641	5.3
453.26767	1.9
455.50092	1.9
469.32907	5.3
471.27365	35.0
489.28348	54.2
503.30447	2.1
507.29184	3.2
569.30914	6.3
615.31482	3.5
629.14160	1.9
633.32513	65.5
634.32587	5.0
651.32739	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	651.2799
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
54.13440	0.4
55.05487	0.8
57.03399	0.4
57.62735	0.3
67.05489	2.7
69.03373	0.7
69.07034	0.5
79.05446	1.1
81.03413	0.7
81.06997	1.7
83.04974	0.5
83.08556	0.4
91.05428	0.9
93.07006	1.2
95.08537	1.7
97.10133	0.5
105.07006	1.0
107.08546	0.9
109.10106	1.1
119.08538	0.8
121.10084	0.8
127.03954	0.4
131.08493	0.4
133.10133	0.6
135.11548	0.5
145.10068	0.5
157.10001	0.6
161.13214	0.4
171.08054	0.4
173.11757	0.4
182.09590	0.4
184.07260	1.6
191.98006	0.5
215.12656	0.4
221.10820	0.4
227.12561	0.4
229.14331	1.0
245.10742	0.5
376.17041	0.4
377.17804	0.6
384.14218	0.5
385.14670	0.7
386.15552	0.4
387.15887	1.0
388.17578	0.7
389.17990	1.0
390.18979	0.8
391.18979	1.7
392.19931	1.1
398.16492	0.4
399.15933	1.6
400.16724	2.0
401.17557	3.7
402.18506	0.9
403.19324	0.8
405.20529	1.2
406.21365	0.8
407.22141	3.3
411.16336	0.5
413.17764	2.5
414.18600	3.7
415.19290	8.6
416.20374	1.1
417.20779	1.4
419.22910	0.8
420.19022	0.8
425.17633	1.1
427.14645	0.7
427.19324	1.6
428.20612	2.7
429.15805	0.7
429.21164	7.4
430.21890	2.7
431.18344	0.7
434.20850	1.0
435.21677	1.2
439.19141	1.1
441.17166	1.5
442.17798	1.5
443.18359	4.2
443.22693	3.8
444.18362	4.1
445.20151	3.7
446.20895	0.5
447.18005	1.5
455.18674	1.1
456.19391	1.7
457.20453	5.8
458.21133	3.4
459.17902	1.4
461.19675	1.3
469.16248	0.7
470.16943	0.8
471.22189	6.9
472.22992	5.0
473.19427	4.5
474.20267	2.2
475.17523	0.5
484.19302	1.0
485.19641	2.3
486.20447	5.8
487.21637	2.5
488.21967	1.6
489.23569	2.3
490.19614	2.6
499.21307	9.7
500.22824	3.3
501.19403	0.7
502.19794	1.1
503.24463	5.4
504.21564	0.9
513.19708	0.5
514.19873	0.9
516.21533	1.6
517.22290	8.3
518.19983	0.7
521.25372	1.4
527.20941	2.7
528.21497	1.5
531.23932	14.1
532.24207	0.7
541.21930	0.8
543.24036	1.6
549.24860	6.1
559.23340	83.4
560.23492	3.4
587.22791	14.2
591.25739	1.5
592.26556	1.0
619.25421	100.0
620.25775	3.8
633.40234	0.8
651.28040	34.3
652.28308	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.05033	0.6
57.07055	0.3
58.06349	0.2
58.06612	0.4
60.08150	6.0
67.05487	0.6
69.07023	0.1
70.06567	0.1
71.07359	3.2
71.08614	0.2
81.07048	0.2
86.09686	29.3
95.08588	0.2
95.49928	0.1
98.98444	2.6
102.56656	0.1
104.10723	2.2
107.08556	0.1
109.10125	0.5
124.99978	19.6
129.10057	0.1
133.10080	0.1
143.01051	0.2
184.07298	100.0
185.07657	0.4
185.68776	0.1
225.82198	0.1
229.91902	0.1
496.34009	0.2
509.38281	0.4
650.43774	11.3
651.43939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.5
57.07052	0.3
58.06603	0.3
59.07369	0.2
60.08154	5.3
64.89774	0.2
67.05493	0.9
69.07059	0.2
71.04980	0.2
71.07363	3.1
71.62708	0.2
79.05469	0.2
80.29195	0.2
81.07042	0.5
85.02062	0.2
86.09692	28.6
87.10032	0.2
91.05465	0.4
93.07036	0.4
95.08627	0.4
98.98451	2.5
104.10720	2.3
105.07009	0.3
107.08572	0.2
109.10126	0.5
119.08550	0.2
124.99986	18.5
135.63927	0.2
143.00929	0.3
166.02657	0.2
184.07310	100.0
185.07672	0.5
270.54245	0.2
281.12201	0.2
335.92950	0.2
650.43817	9.5
651.43994	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01856	0.3
55.05497	1.9
57.03419	0.2
57.07051	0.5
63.02356	0.3
65.03922	1.4
66.50915	0.1
67.05486	3.1
69.03410	0.7
69.07050	1.9
71.04979	0.5
71.62754	0.3
71.63190	0.1
79.05042	0.2
79.05473	3.3
81.03403	0.5
81.07037	7.6
83.04958	1.4
83.08605	0.7
85.02869	0.2
85.06516	0.4
87.04434	0.1
88.07600	0.2
89.03908	0.2
91.05456	12.5
93.06479	0.1
93.07020	5.6
95.04939	1.2
95.08582	6.1
96.08990	0.2
96.37554	0.2
97.02867	0.6
97.06506	0.8
97.10181	0.3
99.04479	0.2
105.07004	7.9
107.04947	0.2
107.08564	7.1
109.06484	2.4
109.10128	4.2
111.08048	1.0
113.05967	0.3
115.05408	0.3
116.06180	0.3
117.06992	1.7
119.04914	21.8
119.08546	11.0
121.02847	0.4
121.06485	0.7
121.10116	4.7
121.11008	0.2
121.92874	0.1
123.04402	0.4
123.08022	0.9
123.11668	1.0
125.05959	0.3
125.09599	0.5
127.07528	1.3
128.06256	0.6
129.06966	1.6
130.07732	0.4
131.08536	6.7
132.09282	0.2
133.06461	0.4
133.10103	6.0
135.08014	0.8
135.11661	2.0
137.02307	0.5
137.09615	1.3
137.13226	0.3
139.07497	0.2
139.11134	0.3
141.06956	0.6
142.07767	1.4
143.08527	4.4
144.09282	0.6
145.06410	0.2
145.10092	10.6
146.10497	0.2
147.04373	100.0
147.11638	4.2
148.04704	0.5
149.02325	0.3
149.05968	0.3
149.09579	1.4
149.13225	1.3
151.07498	0.3
151.11147	1.0
153.09068	0.5
155.08501	1.3
156.09297	1.4
157.10095	6.5
158.10866	1.0
159.08041	0.5
159.11658	7.4
160.12335	0.2
161.09596	1.1
161.13213	3.7
163.03833	0.3
163.07484	0.3
163.11176	0.9
163.14792	1.3
165.05450	5.0
165.06825	0.2
165.09071	0.3
165.12721	0.4
167.08522	0.5
167.10590	0.7
168.09312	0.5
169.10094	2.4
170.10829	1.2
171.11650	5.0
172.12407	0.3
173.09578	0.4
173.13216	5.9
175.11160	0.6
175.14787	3.3
177.09076	0.6
177.12704	0.9
177.16333	1.0
179.08557	0.4
179.10602	0.3
179.14203	0.2
180.09285	0.3
181.10037	0.9
182.10864	0.6
183.11665	2.6
184.12375	0.4
185.13206	8.0
186.13947	0.2
187.11140	0.5
187.14780	7.5
189.09024	0.3
189.12737	0.8
189.16331	1.9
191.10678	0.4
191.14256	1.8
191.17905	0.2
193.04829	0.2
193.10072	0.4
193.12064	0.2
193.15845	0.3
194.10855	0.3
195.11667	1.5
196.12430	0.3
197.13194	3.2
199.11081	0.2
199.14767	6.1
201.12683	0.6
201.16330	4.3
203.10548	0.2
203.14276	3.2
203.17818	0.7
205.12207	0.2
205.15872	0.7
206.10730	0.2
207.11650	0.7
207.13821	0.4
208.12418	0.2
209.13206	1.0
209.15321	0.4
211.11292	0.2
211.14755	2.1
213.12677	0.6
213.16327	3.9
215.14275	1.2
215.17776	0.8
217.12321	0.3
217.15820	2.2
219.13797	0.5
219.17442	0.5
221.13217	0.5
221.15352	0.6
223.14803	0.9
224.15659	0.2
225.16324	1.3
227.10765	0.2
227.14218	0.6
227.17847	1.5
228.23117	0.3
229.12064	0.2
229.15860	1.0
229.19415	0.2
231.13753	0.6
231.17259	0.8
233.13272	0.3
233.15292	0.7
233.18988	0.2
235.14697	0.5
235.16965	0.4
237.16409	0.7
239.17896	1.1
241.15799	0.3
241.19508	0.6
243.17442	0.2
245.13077	0.2
245.15335	1.6
247.14677	0.2
247.16896	1.5
249.14558	0.3
249.18550	0.3
251.17949	1.0
252.18147	0.2
253.15871	0.2
253.19350	0.7
255.21123	0.3
256.26358	0.2
257.15298	0.4
257.19022	0.3
259.14511	0.2
259.16916	1.9
261.16287	0.2
265.19547	0.6
267.21149	0.3
269.19009	0.1
271.16754	0.2
273.18610	0.7
275.17755	0.2
277.19537	0.3
279.21017	0.3
281.22266	0.3
281.77197	0.2
283.16891	0.4
285.18481	0.5
287.05453	0.4
287.20337	0.2
289.19379	0.3
291.21024	0.2
293.22476	0.2
295.20474	0.2
297.18396	0.5
297.21588	0.2
299.20096	0.3
303.20798	0.2
305.22479	0.2
307.24048	0.3
309.22220	0.2
311.19849	0.3
319.24005	0.2
321.22177	0.2
321.25677	0.5
325.21356	0.2
327.22867	0.3
329.22543	0.2
337.21283	0.1
339.22910	0.2
343.23886	0.2
345.25586	0.4
347.27200	0.2
351.23019	0.2
353.24515	0.2
367.26382	1.0
373.28799	0.5
375.30319	0.3
385.28845	1.0
391.26114	0.5
391.30099	0.4
393.31583	0.2
397.18723	0.4
403.29904	4.7
405.31512	0.5
413.28210	0.4
419.29282	3.7
421.30930	6.3
423.32861	0.3
431.29373	2.8
437.30539	0.2
439.32016	1.8
449.30432	8.5
450.30698	0.2
457.33414	0.7
467.31467	5.9
487.34198	0.3
595.34808	0.2
603.36401	0.2
613.34888	0.9
649.38232	0.5
649.50885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.5
53.03936	15.3
55.01857	9.6
55.05505	26.3
57.03424	15.0
65.03938	3.7
67.05495	77.2
69.03415	20.3
69.07059	16.7
69.51419	10.7
69.51824	3.1
71.04980	6.7
73.02879	2.9
73.06544	3.6
76.88139	1.3
79.05482	100.0
81.02917	2.2
81.03402	51.7
81.07043	70.9
83.04967	26.7
83.08601	9.2
83.62746	1.3
85.02898	16.2
85.06533	4.1
87.04452	1.8
91.05467	97.7
93.07027	93.0
95.04951	43.2
95.08591	38.8
97.02877	10.6
97.06512	8.2
97.10149	4.3
99.04443	4.1
103.03900	2.5
103.05466	5.6
105.04484	2.7
105.07011	70.4
107.04930	17.8
107.08580	26.4
109.02840	8.8
109.06480	12.7
109.10152	7.2
111.04446	2.0
111.08059	4.2
115.05444	5.8
117.07001	28.5
119.08566	42.7
121.06507	8.1
121.10136	11.0
123.04447	2.7
123.08052	8.2
127.03873	9.9
127.07574	1.8
128.06190	11.9
129.05522	3.1
129.06981	40.1
130.07767	2.3
131.04868	4.2
131.08545	21.0
132.86522	1.4
133.06468	9.6
133.10114	17.0
135.08046	5.9
135.11694	2.7
141.06981	6.9
142.07790	2.4
143.08540	21.3
145.06474	9.1
145.10106	20.5
147.08014	9.1
147.11668	48.1
149.09584	2.1
153.06990	2.7
155.08521	6.9
156.09323	3.1
157.06488	7.3
157.10114	5.2
159.08005	8.7
159.11665	5.0
161.09587	8.0
161.13219	20.5
163.07454	1.9
163.11214	2.3
165.06868	1.7
167.08528	5.5
169.10089	4.2
171.08022	9.1
171.11656	42.0
173.04443	16.8
173.05843	2.2
173.09616	4.0
173.13254	2.0
175.35432	1.4
179.14328	2.8
181.10063	5.0
183.08011	1.9
183.11661	4.2
185.09618	5.5
185.13242	5.0
187.11182	3.1
189.12703	24.9
195.07896	1.8
195.11691	2.9
197.13269	2.9
199.14899	1.7
201.12773	1.8
203.14247	2.5
205.12202	2.1
207.11914	1.9
207.13753	49.9
213.12706	2.5
213.16370	1.9
221.15446	2.1
223.14882	4.8
225.12848	2.0
225.14798	5.8
227.14218	5.2
231.13884	1.8
233.13145	2.1
233.15192	1.6
239.14294	2.1
241.16011	7.8
245.15369	4.2
251.14333	6.9
256.26022	1.5
257.15442	2.5
259.16901	4.7
263.16364	3.4
269.15344	15.4
279.15948	3.7
281.17432	93.4
282.17685	2.2
287.16391	18.3
293.17581	1.7
297.14844	1.7
305.17410	4.6
309.16995	3.7
315.15912	4.1
315.19479	2.6
333.16833	5.4
343.18982	2.1
351.18134	5.6
361.19971	4.5
379.20551	1.5
407.20444	4.4
425.21622	17.0
469.29434	2.1
487.30521	82.3
488.30777	3.0
501.32068	7.3
529.31628	3.3
539.33276	4.9
541.31543	2.4
549.31592	3.8
553.31323	2.9
567.33154	15.3
613.33832	4.6
631.34814	15.6
649.35382	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49790	0.3
53.03937	0.5
55.01861	0.3
55.05502	1.9
57.07059	0.6
59.04971	0.3
62.32940	0.2
62.49216	0.3
65.03643	0.3
65.03911	1.5
67.05492	3.1
69.03410	0.6
69.07059	1.9
69.39667	2.4
71.04958	0.3
77.03925	0.3
79.05471	3.2
81.03408	0.6
81.06567	0.5
81.07043	8.3
83.04945	1.7
83.08600	1.3
85.06499	0.6
91.05462	14.6
93.07024	6.2
95.04954	1.8
95.08591	7.8
97.06499	0.8
97.10123	0.4
103.05445	0.3
105.07014	9.2
107.07851	0.5
107.08566	8.2
109.06502	2.4
109.10134	4.5
109.57561	0.3
111.08070	0.9
115.05408	0.4
117.06983	1.9
119.04920	24.4
119.08558	14.1
121.06471	0.9
121.10127	5.3
123.04414	0.4
123.08031	0.9
123.11671	1.2
125.05954	0.5
125.09608	0.5
127.07539	1.4
128.06197	0.7
129.06989	1.9
130.07735	0.5
131.08542	7.3
133.06497	0.3
133.10110	6.8
135.08006	1.2
135.11642	2.2
137.09558	1.5
137.13226	0.6
139.07530	0.4
141.06964	0.7
142.07726	1.7
143.08540	5.2
144.09273	0.7
145.10089	12.7
147.04381	100.0
147.11664	4.9
148.04706	1.3
149.09598	1.4
149.13208	1.9
151.07555	0.6
151.11159	0.7
153.09090	0.6
155.08481	1.9
156.09308	1.4
157.10103	8.7
158.10886	0.8
159.10414	0.6
159.11667	8.5
161.09587	0.9
161.13266	3.4
163.11182	1.2
163.14783	2.0
165.05495	2.1
165.09076	0.5
165.12654	0.4
167.08521	0.6
167.10672	0.7
168.09317	0.4
169.10062	2.8
170.10905	2.0
171.08128	0.3
171.11649	5.5
172.12430	0.6
173.09621	0.5
173.13243	7.8
175.11183	0.9
175.14804	4.6
177.09169	0.6
177.12666	1.4
177.16312	1.5
179.14279	0.6
180.09285	0.3
181.10086	0.9
182.10866	0.5
183.11650	4.0
184.12444	0.6
185.09659	0.4
185.13237	10.2
187.11194	0.6
187.14793	8.4
189.12744	0.8
189.16348	2.8
190.58591	0.3
191.14299	2.6
191.17976	0.4
193.10161	0.5
193.15791	0.5
195.11655	1.7
197.13203	4.0
199.14780	6.1
201.12680	1.2
201.16351	5.5
203.14256	3.7
203.17888	1.2
205.12120	0.4
205.15842	1.0
207.11664	0.7
207.13774	0.9
209.13240	1.3
209.15233	0.5
211.14742	2.5
213.12723	0.9
213.16368	4.8
215.14326	1.9
215.17886	1.0
217.15866	2.1
219.13869	0.9
219.17473	0.8
221.13275	0.7
221.15236	0.6
223.14882	0.7
225.16322	1.1
227.14349	0.7
227.17863	1.7
229.15837	1.1
229.19420	0.6
231.13704	0.4
231.17445	1.0
233.15308	1.0
235.14752	0.7
235.16882	0.6
237.16345	1.0
239.17926	1.0
241.19423	0.8
245.15343	1.7
247.14702	0.4
247.16876	2.1
249.14621	0.6
251.17847	1.1
253.19405	0.6
255.17259	0.6
255.21013	0.4
257.15314	0.3
257.18829	0.3
259.16888	2.1
265.19376	0.4
269.15295	0.5
273.18417	0.8
279.21149	0.5
285.18469	0.5
297.18439	0.8
303.20966	0.4
305.22299	0.3
307.24106	0.6
311.19995	0.6
321.25565	0.3
345.25833	0.9
349.21249	0.4
351.57553	0.4
353.24588	0.3
367.26251	0.9
373.28873	0.6
379.26474	0.3
385.28711	1.3
391.25717	0.6
391.30298	0.5
403.29944	5.5
405.31430	0.4
407.25827	0.3
419.29422	4.6
421.30942	7.3
421.36237	0.6
423.32532	0.5
431.29489	3.5
437.30676	0.6
439.32098	2.8
449.30469	9.7
450.30994	0.4
457.32785	0.4
467.31488	6.3
603.36755	0.6
649.37598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
57.03419	0.7
60.81428	0.1
69.03418	3.1
71.01328	0.3
71.04982	0.2
71.05564	0.3
73.02901	0.5
81.07052	0.2
83.04959	0.5
85.02892	100.0
86.03223	0.3
97.02876	40.8
98.03262	0.1
107.08577	0.2
109.02843	0.1
111.04424	0.4
115.03914	10.1
117.54237	0.1
121.02827	0.3
127.03896	18.3
137.09541	0.2
139.03874	2.3
147.04390	0.2
153.01758	0.2
157.04947	6.6
162.91006	0.1
165.01782	0.2
171.06497	0.2
199.06026	0.2
213.05515	0.1
217.07039	20.8
259.55585	0.1
259.90448	0.1
287.05453	13.1
288.05814	0.2
315.89682	0.1
388.96182	0.1
433.11221	0.8
462.12686	0.1
494.35751	0.1
642.63818	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	649.3008
Annotation	Gnidilatidin
Peak:m/z	Relative Intensity
55.05484	0.6
60.85666	0.4
67.05487	1.4
79.05476	0.9
80.04014	0.5
81.07027	1.6
81.69418	0.4
91.05466	0.5
93.07036	1.3
95.08591	0.8
98.21597	0.8
105.07019	0.9
107.08562	0.9
109.10158	0.7
121.10122	0.6
131.08415	0.4
149.13133	0.4
183.05960	0.4
228.99779	0.4
230.31619	0.4
268.94739	0.4
277.13623	0.5
401.17596	0.7
403.19275	1.5
405.20917	0.8
415.19540	0.6
416.20261	1.0
417.21057	2.5
418.21289	0.9
419.22302	1.0
429.16910	0.7
430.17288	0.9
430.22192	0.6
431.17783	3.4
432.18777	0.9
433.24197	2.6
443.18256	0.8
444.19351	1.5
445.20007	5.7
446.21024	1.8
447.21579	1.9
457.19946	0.9
458.16449	0.6
458.21609	0.6
459.22330	5.4
460.22388	4.4
461.23422	3.9
473.18884	6.2
474.20413	1.2
475.25113	0.9
487.20331	3.0
488.21613	0.7
489.22678	1.8
501.22491	1.3
502.23547	2.5
503.24622	5.6
505.21667	0.7
515.24396	1.6
517.22461	1.0
519.24194	1.4
529.26215	0.6
531.23792	0.8
533.21912	0.9
546.26141	0.8
547.27124	11.7
548.27661	0.6
559.23724	0.6
560.23792	0.7
561.24457	3.2
575.26355	0.7
577.24316	0.8
589.27960	23.5
590.28320	1.5
607.29108	2.7
620.25946	0.7
649.30066	100.0
650.30194	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	649.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44250	0.1
55.01862	0.4
57.03420	0.3
58.19017	0.1
61.02915	0.3
65.03956	0.1
67.01849	0.1
68.99810	0.2
69.03415	18.2
70.93849	0.2
71.01341	0.1
71.04980	0.3
85.02888	4.6
87.04446	0.2
87.09293	0.1
97.02872	55.7
98.03218	0.1
105.03370	0.1
107.04958	0.2
108.20180	0.1
109.02907	0.1
111.00800	0.3
111.04401	0.1
115.03903	2.1
117.05428	0.1
118.74291	0.1
121.02007	0.1
121.02852	1.3
127.03883	1.3
129.05458	0.2
133.02826	0.3
137.02322	0.3
139.03874	0.2
145.06436	0.1
147.04391	0.2
153.01802	1.9
157.04933	16.2
165.01816	1.1
171.04344	0.2
175.06007	0.2
183.02834	0.6
185.05936	0.2
197.05952	0.1
203.03568	0.1
213.05443	0.9
213.15733	0.1
217.07030	6.1
231.06422	0.5
241.04869	0.6
258.05212	0.6
259.05914	0.2
269.04471	0.1
287.05435	100.0
288.05731	0.7
299.05731	0.2
365.06531	0.4
383.07639	0.1
425.08932	0.1
433.11234	6.3
503.11850	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.2
53.03939	1.2
54.45390	0.2
54.62346	0.1
55.01856	0.5
55.05251	0.3
55.05504	3.6
57.03423	0.7
57.07067	14.5
60.07062	0.2
62.06080	0.3
65.01567	0.2
65.03947	0.3
67.05494	8.3
69.03424	0.7
69.07057	3.4
69.37707	1.7
70.55206	0.2
71.04982	0.6
71.08622	10.3
72.08974	0.2
79.05482	4.1
81.03406	29.9
81.07046	9.1
81.07423	0.2
82.03730	0.3
82.07398	0.2
83.04974	1.3
83.08606	10.4
85.06529	0.4
85.10172	5.7
91.05464	6.1
93.07034	2.6
95.04953	8.3
95.08592	9.6
97.02870	0.9
97.06535	0.4
97.10151	2.6
98.92711	0.1
98.98441	0.3
99.08112	0.2
99.11729	0.4
105.07013	4.0
107.04925	2.1
107.08596	1.2
109.06518	1.1
109.10145	4.2
109.10900	0.2
111.04429	0.8
111.08057	2.0
111.11684	0.2
115.05437	0.6
117.07044	0.5
119.04926	0.3
119.08558	4.1
121.06476	1.0
121.10132	1.8
123.08072	0.6
123.11673	1.3
124.01604	0.3
128.06207	0.3
129.06987	3.9
129.07895	0.3
131.08540	2.6
133.06499	1.3
133.10118	1.5
135.08061	0.2
137.09628	0.5
137.13223	0.5
142.07739	0.9
145.10101	0.3
147.08014	1.0
147.11667	2.0
148.79735	0.2
149.09592	1.6
155.01022	0.3
157.10103	3.0
159.14200	0.2
165.12770	0.6
165.16348	0.3
175.11154	2.3
184.07289	0.2
186.64346	0.2
193.12210	6.6
201.31538	0.2
211.13390	0.2
221.22668	0.2
231.13918	0.2
236.16414	5.3
237.07207	0.2
239.23643	1.5
249.14816	2.0
267.15863	1.5
282.27786	1.6
313.27380	1.4
344.22302	0.2
436.28302	0.3
454.29150	0.3
505.38797	100.0
506.39148	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	646.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.5
55.01867	3.2
55.05500	31.9
57.03184	2.4
57.03421	16.0
57.07053	7.8
63.63215	2.0
65.03948	3.6
67.05495	94.9
69.07061	25.8
71.04976	4.0
71.08610	2.4
71.18356	6.4
79.05481	78.9
81.07042	97.1
83.04966	3.7
83.08591	14.8
85.06537	5.0
91.05463	79.9
93.07024	100.0
95.04985	10.6
95.08591	75.8
97.06507	8.7
97.10157	8.1
99.08057	3.8
105.07014	90.7
107.08576	56.2
109.10130	30.1
111.08080	2.5
117.06986	21.0
119.08562	63.4
121.10118	46.0
123.08096	2.6
123.11642	11.2
125.09663	3.5
128.06203	2.4
129.06987	13.6
131.08534	35.9
133.10112	62.7
135.08067	2.4
135.11652	32.9
137.13228	4.7
137.82265	2.2
142.07715	2.4
143.08531	10.9
144.09311	2.5
145.10104	32.8
146.12898	2.2
147.11650	45.6
149.09589	3.7
149.13214	16.2
155.08501	2.6
157.10074	11.7
159.11671	29.7
161.13213	32.8
163.11134	3.8
163.14810	6.4
171.11658	16.5
173.13274	19.5
175.14818	10.4
177.12732	4.6
177.16524	2.3
183.11629	4.1
185.13284	13.4
187.14751	5.8
189.16341	3.0
199.14818	8.8
201.16414	4.3
203.14349	2.4
207.19287	2.9
211.14847	2.6
213.16411	3.2
229.19647	3.4
231.21126	6.6
239.17964	3.1
241.19531	24.7
257.18970	6.0
259.20520	69.0
259.58966	3.0
261.22079	12.3
287.99338	2.7
315.23181	6.2
329.81464	2.2
333.24179	56.2
335.25766	82.0
337.27228	3.0
395.33115	2.3
405.84412	2.2
519.41870	7.3
593.45319	11.8
611.46637	36.1
645.67981	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	648.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.1
55.01836	0.1
55.05488	0.2
56.05018	0.4
57.02692	0.1
57.03422	0.2
58.06348	0.2
58.06612	0.4
59.07394	0.2
60.08154	6.1
67.05502	0.7
69.03406	0.5
69.07050	0.3
70.06583	0.2
70.29314	0.3
70.29722	0.2
71.07362	2.9
72.59648	0.1
79.05465	0.4
81.03378	0.4
81.07046	0.6
83.04949	0.2
85.02885	0.5
85.06512	0.1
86.09691	29.8
87.10018	0.2
91.05453	0.6
93.07018	0.9
95.04932	0.3
95.08593	0.5
97.02870	0.7
97.06478	0.2
98.98443	2.7
104.10729	2.6
105.07001	0.8
107.04871	0.2
107.08582	0.4
109.02888	0.2
109.06606	0.1
109.10148	0.4
111.04430	0.2
111.08067	0.2
116.99457	0.1
117.03365	0.5
119.08559	0.4
121.06472	0.1
121.10123	0.4
123.04417	0.1
123.11711	0.2
124.99983	20.4
127.03888	0.2
129.06982	0.1
131.08531	0.3
133.10112	0.3
135.04330	0.1
135.07996	0.1
135.11665	0.2
143.00998	0.3
145.02837	1.1
145.10110	0.2
147.04364	0.4
147.11699	0.1
149.05927	0.3
149.09595	0.2
153.01828	0.2
157.04929	0.3
159.11652	0.2
163.11137	0.2
165.01837	0.2
165.09181	0.2
167.07051	0.3
168.07372	0.3
171.02733	0.2
175.11139	0.1
177.05434	3.7
183.02852	0.2
184.07309	100.0
185.07657	0.6
217.05042	0.1
285.07480	0.2
287.05408	0.9
301.02774	0.1
301.21597	0.2
339.10770	0.2
433.25580	0.1
438.22522	0.3
451.26498	0.2
552.49695	0.1
648.34979	13.8
649.35181	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41898	1.4
57.01927	1.4
67.05472	1.6
68.61163	1.1
69.01350	1.2
69.96783	7.6
79.05486	2.1
91.05490	2.3
93.07020	4.0
94.06545	6.4
95.07323	5.1
95.08595	1.5
95.17767	1.1
96.08122	12.7
97.06455	1.3
101.53766	1.1
106.06602	2.6
108.04473	1.9
108.08083	15.0
110.09671	17.8
116.04971	1.6
120.04440	2.6
120.08089	15.0
121.08871	1.5
122.06016	9.6
122.09576	2.0
124.07579	9.0
134.05975	3.4
134.09596	1.5
136.07552	32.8
138.05547	1.6
138.09109	26.7
144.04433	3.9
146.05994	8.2
146.09631	1.8
148.07556	18.2
150.09158	5.0
151.03955	1.3
152.07045	22.4
160.07565	2.1
162.05498	2.1
163.07928	1.4
164.07108	6.3
165.07774	1.8
166.08614	40.1
172.03908	19.1
174.05531	1.5
174.09138	1.7
176.07037	3.1
182.08093	2.4
190.04997	16.6
192.06490	1.5
194.08165	1.3
197.10744	4.1
198.11453	5.5
199.12305	1.8
204.06534	29.9
209.10571	2.0
210.11501	5.2
211.12280	10.9
212.09441	1.6
212.13000	3.7
213.10077	1.4
213.13791	2.0
221.10831	2.2
223.08740	2.2
223.12303	9.3
224.12885	1.4
224.77634	1.2
225.10225	9.9
225.13901	3.3
226.10957	6.1
227.11746	4.5
235.08618	2.2
235.12303	3.5
236.09372	2.3
237.10143	12.4
237.13913	1.9
238.10970	12.5
239.11745	10.8
240.12331	1.5
241.09834	1.5
241.13379	1.7
246.07550	1.4
249.10236	7.8
250.10875	6.3
251.08058	2.1
251.09045	1.7
251.11737	18.7
252.08884	2.4
252.12431	5.2
253.09691	3.4
253.13319	7.6
255.11205	3.6
256.11984	5.6
257.12778	3.1
262.10919	3.9
263.11722	16.2
264.08832	4.1
264.12460	6.0
265.09756	7.7
265.13242	10.0
266.10434	8.6
266.13269	2.0
267.11246	26.2
268.11990	3.6
269.12854	8.7
271.10825	2.9
271.14310	6.8
273.12234	6.3
277.09747	3.0
277.13397	1.8
278.10431	5.4
279.11230	39.4
280.11975	7.3
281.12808	11.3
282.09897	1.4
282.13214	1.7
283.10791	10.4
284.11502	11.9
285.12299	48.9
286.12799	2.1
287.13947	3.9
289.15417	3.9
291.11346	11.1
292.11835	4.2
293.09503	2.7
293.12830	15.2
295.10693	3.0
295.14224	1.8
296.11600	8.9
297.12299	60.1
298.12915	6.2
299.13742	9.7
307.10776	2.2
309.12292	21.6
310.13028	8.0
311.10220	6.6
311.13843	3.8
312.10974	2.3
313.11774	3.0
316.14468	1.6
319.10657	8.2
321.12244	19.4
322.12784	1.9
323.10245	14.7
324.10754	2.0
325.11792	21.9
326.12549	1.4
327.13327	14.6
328.13913	1.3
337.11752	48.0
338.12289	3.7
339.13342	7.5
341.11212	2.1
343.12912	1.9
346.19141	2.9
355.12833	1.6
357.14468	9.4
358.15372	2.8
359.15976	4.8
369.14291	4.4
371.15976	2.3
372.16873	1.7
373.14111	2.2
374.18527	1.4
376.20337	1.6
385.14053	1.9
390.17877	3.4
392.19632	4.2
400.16562	2.1
401.16940	2.5
402.17902	6.2
404.19641	5.3
412.16711	2.1
416.19876	2.9
418.17422	2.9
420.19040	3.1
421.20172	2.1
422.20889	3.6
430.17438	13.3
431.18475	1.6
432.19083	9.4
434.20462	1.6
436.18738	2.8
437.62390	1.5
442.17703	2.3
444.19153	2.6
446.21048	6.6
448.18570	41.7
449.19327	32.7
450.13873	1.7
450.20181	27.0
460.18546	27.9
461.19174	3.9
462.19943	6.2
463.20731	2.0
472.18515	2.2
474.20291	7.5
476.18069	13.6
477.18884	13.7
478.19571	11.9
480.21100	4.7
490.19699	60.8
491.20389	13.6
492.21130	24.4
493.21655	2.5
522.22247	26.6
523.22961	14.9
524.23108	3.9
567.25891	2.3
571.24988	2.3
585.26825	1.7
595.25275	17.1
613.26465	100.0
614.26880	7.3
645.29022	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	645.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.6
55.05500	5.3
57.03423	2.3
57.07044	2.1
67.05492	11.4
69.03410	5.6
69.06726	1.3
69.07064	19.0
70.74409	3.0
70.74765	2.8
70.79011	1.5
71.04978	2.1
78.25756	1.5
79.05488	10.3
81.03403	5.9
81.07043	20.8
82.06571	1.7
83.04958	5.0
83.08606	4.0
85.02906	7.7
85.06529	6.8
88.75407	1.4
91.05467	7.0
93.07030	18.8
94.06552	8.1
95.04972	7.1
95.07343	4.7
95.08595	19.0
96.08104	9.9
97.02856	3.4
97.06512	6.0
97.10120	1.6
99.04416	2.9
103.05478	2.8
105.07020	11.5
106.06544	2.3
107.04946	2.5
107.08580	12.2
108.08111	12.5
109.02874	1.7
109.06492	6.4
109.10142	14.3
110.09678	16.6
111.04414	4.0
111.08073	3.4
111.11711	1.5
113.09628	1.6
116.04913	2.3
117.06954	2.9
119.04927	3.5
119.08553	10.1
120.04491	3.1
120.08099	11.6
121.02847	3.2
121.06484	3.8
121.10137	9.3
122.06049	8.4
123.04400	8.2
123.08070	3.6
123.11712	7.4
124.07554	9.9
125.05971	9.2
125.09612	5.8
127.03874	5.1
127.11188	2.3
131.04890	1.8
131.08542	4.3
133.10120	9.8
134.05954	2.2
135.04388	2.8
135.08047	2.9
135.11673	8.3
136.07556	28.4
137.05956	3.9
137.09579	4.3
137.13222	2.7
138.09134	22.9
139.03883	8.7
139.07527	1.8
141.05490	1.6
143.08466	2.2
144.04430	3.8
145.02800	2.6
145.04955	2.0
145.10085	7.0
146.05952	9.2
147.04395	15.4
147.11671	9.0
148.07558	16.4
149.02356	1.5
149.09602	3.2
149.13245	7.4
150.09123	4.9
151.03900	3.5
151.07494	6.9
151.11163	2.4
152.07069	15.2
153.01816	2.8
153.05441	14.0
157.10103	2.4
159.07982	1.9
159.11642	3.7
161.09590	3.5
161.13191	3.0
162.05473	1.8
163.03838	3.7
163.07579	2.3
163.11104	3.9
163.14740	2.2
164.07059	6.6
165.05424	2.3
165.07797	1.8
165.09070	1.7
166.08624	40.6
167.07045	12.7
167.08316	1.8
167.08965	1.4
171.02861	3.2
172.02525	1.7
172.03931	19.5
173.09550	1.8
173.13290	1.8
174.09152	2.0
175.07491	1.7
175.14781	5.6
176.07027	2.4
177.05460	5.3
177.08987	1.9
177.16360	2.7
179.06956	1.5
181.04942	4.2
182.05231	2.4
184.07289	2.4
189.05420	2.1
189.12779	2.3
190.04922	16.1
191.07001	4.3
191.10730	1.6
193.08559	5.4
193.12247	3.1
193.15790	2.2
198.11469	2.2
204.06529	30.9
205.08530	2.1
210.11426	4.5
211.12344	5.6
212.12981	3.1
213.16270	1.6
217.08464	3.4
221.10750	1.6
223.12251	8.6
224.12822	1.7
225.10219	8.8
225.13794	3.3
226.10988	5.7
227.11755	5.7
231.17346	2.8
235.08673	2.0
235.12314	1.8
236.09384	2.3
237.10075	9.8
237.13708	2.2
238.10942	9.5
239.11765	12.4
241.13423	2.6
241.15924	2.0
246.07465	1.7
248.09451	1.8
249.10228	7.6
250.10999	6.9
251.11790	18.4
252.09004	1.9
252.12453	3.3
253.09734	2.2
253.13306	6.3
255.11136	4.7
256.11990	3.7
257.12796	2.1
259.16913	2.4
261.10062	1.7
262.10828	3.4
263.11777	18.0
264.08823	5.9
264.12476	6.2
265.09741	7.6
265.13266	11.1
266.10468	5.1
267.11218	16.7
268.11902	2.5
269.12698	4.6
271.10983	1.6
271.14270	7.1
273.07596	1.5
273.12222	5.5
277.09683	3.1
277.17886	10.9
278.10471	5.5
279.11237	31.6
280.11932	4.9
281.12848	11.5
282.13571	2.5
283.10721	6.8
284.11630	10.3
285.12314	38.5
287.05573	3.5
287.13763	3.5
289.06830	1.7
289.15424	4.0
291.11176	14.4
292.11844	4.0
293.09583	2.2
293.12741	13.3
295.10666	5.0
296.11481	4.8
297.12277	54.6
298.12897	4.7
299.13782	7.4
305.17444	6.3
307.10684	3.0
308.11435	1.5
309.12286	16.8
310.12885	4.0
311.10159	5.1
311.13586	3.5
313.11884	2.5
313.17838	3.7
319.10931	10.0
321.12268	16.6
323.10260	13.3
325.11795	22.1
326.12430	2.2
327.13394	9.9
331.19116	9.2
333.18536	1.6
337.11783	55.9
338.12216	3.0
339.13358	4.7
341.11368	2.0
343.12637	5.3
346.19070	2.7
349.23676	2.7
355.12241	2.3
357.14450	9.1
359.15952	3.8
369.14264	3.0
371.15897	2.1
374.18292	2.1
376.20187	1.8
377.95496	1.7
385.13910	3.8
392.19623	2.2
402.18109	3.8
404.19675	4.3
411.28882	2.2
416.19809	1.9
418.17245	2.4
420.18808	2.3
421.19885	2.3
422.20798	2.9
429.29855	14.2
430.17590	9.6
431.17816	2.0
432.19244	9.6
442.17584	2.2
444.19537	2.1
446.20746	5.1
447.21490	1.8
447.30991	26.9
448.18652	35.4
449.19409	29.2
450.20184	23.3
451.20380	1.9
460.18579	27.8
461.19006	2.9
462.20282	3.6
465.22192	3.4
465.31805	5.9
472.18484	1.9
474.20163	6.2
476.18112	11.8
477.18890	11.9
478.19650	10.9
480.21158	3.3
483.23526	4.9
490.19659	67.6
491.20346	9.4
492.21103	17.7
493.21820	3.0
522.22290	18.5
523.23016	10.2
523.41626	1.7
524.23608	2.2
567.26031	2.8
595.25262	14.2
596.24854	2.2
609.36115	3.0
613.26471	100.0
614.26862	10.6
627.37256	2.2
645.28900	10.2
645.38910	2.4
646.29211	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55310	1.2
53.03935	2.6
55.01855	9.4
55.05499	16.0
57.03419	17.8
57.07057	2.6
63.39081	1.2
65.03924	4.8
67.05489	68.4
67.59690	1.1
69.03430	3.0
69.07051	15.3
71.04974	4.2
71.08613	1.7
71.62799	2.0
79.05031	0.9
79.05472	38.1
81.03402	3.4
81.07037	44.8
83.04971	4.2
83.08596	6.6
85.06510	11.9
86.70403	1.1
91.05459	31.3
93.07024	39.5
94.07343	1.6
95.04942	45.3
95.08585	28.9
97.06504	7.3
97.10144	4.8
98.06972	1.4
99.08051	2.0
99.90086	1.2
105.06997	21.6
107.04938	7.9
107.08573	25.5
109.06490	50.7
109.10132	10.7
111.04390	1.6
111.08073	3.4
113.05977	24.6
115.05437	2.5
117.06979	13.4
119.08565	13.2
121.06480	3.0
121.10125	11.8
123.08009	2.5
123.11649	2.5
125.09562	1.6
128.06213	2.9
129.06976	6.7
130.54176	1.5
131.08540	19.1
133.06480	2.4
133.10083	11.2
135.08025	39.1
135.11617	7.4
137.09511	1.2
141.06955	1.8
142.07706	1.8
143.08505	9.3
145.10068	11.6
147.08051	3.8
147.11685	5.2
149.09593	4.9
149.13226	4.4
151.11191	2.3
155.08504	1.6
157.10098	5.4
159.08041	2.7
159.11647	7.7
161.09616	5.8
161.13220	2.8
163.11143	5.0
165.09122	2.2
169.10086	2.4
171.11642	3.3
173.13196	3.9
175.11157	2.4
177.12679	3.1
179.14308	2.8
183.11627	2.5
185.09746	1.7
185.13194	1.4
187.11110	1.5
187.14824	1.3
189.11157	1.6
191.14256	1.5
195.11649	3.0
199.11057	1.4
199.14783	3.6
201.12691	3.1
201.77136	1.3
216.13676	1.2
217.15825	11.7
227.12721	2.1
245.18974	1.8
255.17436	2.6
259.20410	1.4
261.22214	1.6
273.18439	31.7
273.21201	2.6
275.19998	6.5
291.19476	100.0
292.19806	3.6
297.65823	1.3
309.20566	3.3
335.25711	37.4
347.22195	3.9
365.23138	14.4
545.37750	1.9
567.39899	2.2
581.27332	2.1
607.43732	6.6
611.24561	1.7
625.44421	43.2
626.44580	3.4
643.44800	2.0
661.00787	1.5
672.40497	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.4
55.01864	6.6
55.05252	1.9
55.05504	24.8
56.05837	1.7
57.03428	11.0
57.07058	4.1
57.12324	1.1
61.02905	1.6
65.03925	5.4
67.05495	70.9
68.05824	3.5
69.03413	4.2
69.07061	25.3
71.04993	6.7
79.05481	53.9
80.05809	3.1
81.03410	5.5
81.07047	78.5
82.07371	4.5
83.04969	7.0
83.08595	12.6
85.02876	3.4
85.06541	6.4
91.05469	63.1
92.05800	5.2
93.07032	58.6
94.07354	1.7
95.04955	11.7
95.08596	43.4
96.08924	3.2
97.02904	1.8
97.06527	11.7
97.10159	5.7
99.08057	3.4
103.05492	1.8
105.07019	64.5
106.07368	5.3
107.04956	8.6
107.08576	38.2
107.48478	1.2
109.06499	11.0
109.10136	22.6
110.10456	1.8
111.04456	1.4
111.08067	5.7
115.05460	2.2
117.07003	23.1
119.08568	48.2
120.08902	4.6
121.06482	5.3
121.10130	30.2
122.10474	1.4
123.08016	6.0
123.11687	8.3
125.09634	5.3
127.07522	1.4
128.06216	3.2
129.05518	1.5
129.06998	13.9
130.22739	1.3
131.08557	34.8
132.08885	4.6
132.32085	1.2
133.06441	3.2
133.10109	36.6
135.08076	6.5
135.11671	18.3
136.11974	1.4
137.09583	4.4
137.13222	2.2
139.11133	3.5
141.06956	4.8
142.07767	1.8
143.08542	15.4
144.08920	2.2
145.06476	2.6
145.10104	28.1
146.10469	4.5
147.08064	3.4
147.11667	34.1
149.09601	9.8
149.13239	9.8
151.11122	3.6
155.08528	6.2
156.09004	1.4
157.10118	15.0
158.10611	1.4
159.11690	20.6
161.09598	3.3
161.13220	18.8
163.11127	6.2
163.14819	3.1
164.11594	1.3
165.12746	5.1
167.08554	2.8
168.09335	1.6
169.10048	7.1
170.10371	1.5
171.11664	14.8
172.12068	1.9
173.09554	1.8
173.11743	2.5
173.13156	10.3
175.11153	3.8
175.14841	8.7
177.12720	5.6
179.14371	1.7
181.10129	3.5
183.11624	6.1
184.07346	5.1
184.12093	2.2
185.13216	9.6
186.13533	2.2
187.11229	2.4
187.14763	6.1
189.11209	1.9
189.12750	2.0
189.16394	1.9
193.12297	2.0
195.11821	1.4
196.12268	1.3
197.13220	4.6
199.14825	7.6
201.12704	1.9
201.16362	2.6
209.13278	3.2
211.14796	2.5
213.16347	3.7
215.14420	1.6
215.17940	1.8
223.14799	2.3
225.16571	1.6
227.12683	1.9
229.14284	1.5
231.17221	1.4
231.20959	3.1
233.15198	1.4
239.14291	1.6
239.17943	3.7
241.19495	17.8
242.16220	1.3
243.21188	2.1
247.20518	2.7
257.18988	7.9
259.20544	37.8
261.22134	1.5
267.15912	2.9
273.18457	2.1
275.20026	36.1
276.20413	1.6
277.21439	3.5
293.20959	6.8
315.23227	5.0
326.25394	1.6
333.24161	34.6
335.25745	4.7
349.23718	8.0
351.25137	2.2
353.24686	2.9
354.25012	4.3
365.23334	3.0
367.24713	23.2
371.25739	2.9
372.26135	4.6
389.26813	2.4
390.27109	4.6
441.32849	1.6
445.29456	25.1
446.29779	100.0
447.30435	6.0
463.30743	6.7
464.30826	27.1
465.31406	1.9
489.35580	1.6
501.35818	1.4
513.35663	2.1
515.37726	3.7
527.37036	3.9
533.40002	3.5
545.38397	7.4
546.38556	1.7
551.40906	5.9
607.43463	10.9
625.44580	21.8
626.44971	1.8
643.29901	3.1
643.45966	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	643.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.25584	0.6
65.03923	1.6
67.05482	1.5
69.03423	1.6
69.07067	1.0
79.05478	1.5
80.05011	0.7
81.03405	1.7
81.07033	2.9
82.06546	1.2
85.02896	1.2
91.05463	3.0
92.04966	0.6
93.03403	1.1
93.05772	0.7
93.07028	3.8
94.06551	5.6
95.04945	1.0
95.07339	2.5
95.08626	1.4
96.08115	6.5
97.06507	1.2
98.21520	0.9
103.05453	1.2
105.06985	1.4
106.06541	1.4
107.04970	1.1
107.08581	1.4
108.04463	1.6
108.08096	9.6
109.10152	1.5
110.09655	9.1
115.05470	0.6
116.04958	2.0
117.06983	1.1
118.06533	0.7
119.05793	0.6
119.08586	1.0
120.04449	3.3
120.08083	7.4
121.02847	1.5
121.06538	1.2
121.10109	1.4
122.06005	4.9
123.04408	2.2
124.07566	7.2
127.03900	2.3
131.04840	0.8
133.10118	1.8
134.05991	3.3
135.11678	0.7
136.07552	9.9
137.05922	1.1
138.09109	12.7
139.03882	1.1
144.04449	4.8
145.06462	1.2
145.10150	0.8
146.05986	5.6
147.04390	2.0
148.05084	0.6
148.07550	2.5
152.07056	2.2
153.01813	1.7
156.20924	0.6
160.03931	2.5
162.05479	2.8
163.07529	0.8
163.11215	0.9
164.07060	1.5
165.05464	1.1
165.09068	0.9
166.08606	11.8
167.07019	12.7
172.03900	18.2
172.07498	0.8
173.05965	1.6
174.05510	1.8
176.07101	3.2
177.05467	1.0
181.04868	5.7
184.10022	0.9
190.04955	16.9
191.07045	3.8
192.57764	0.7
195.09177	0.9
197.10718	1.7
199.08815	0.8
199.12299	2.0
204.06516	34.3
205.08661	0.7
209.10678	1.1
210.09261	1.5
210.11284	1.0
211.08549	3.5
212.09415	2.3
213.10275	0.8
223.08650	1.3
223.12573	0.6
224.09290	1.0
225.10167	8.5
226.10928	1.0
227.11765	13.5
233.08054	0.9
235.09381	0.7
236.09489	1.7
237.10161	3.4
238.11095	2.1
239.11696	3.2
241.09631	1.2
241.13354	1.8
245.12839	0.7
249.10246	2.5
250.11087	0.9
251.08076	0.8
251.11749	3.5
252.12682	0.7
253.09644	6.4
255.11249	1.7
257.12732	0.8
263.08298	0.7
263.11823	1.3
264.08920	3.1
265.09692	1.8
267.11331	2.9
269.09842	1.0
269.12808	18.9
269.15497	1.2
271.06372	0.7
271.10681	8.0
273.07529	1.4
273.12335	5.7
277.09747	2.3
278.10449	1.2
279.11270	4.2
281.09332	1.0
281.13025	0.7
283.10706	4.3
284.11444	3.8
285.12302	6.1
286.13306	1.3
287.13843	16.2
291.11450	1.2
292.08658	0.7
293.09091	0.8
295.10602	1.4
296.11319	0.7
297.12302	9.8
299.13986	4.2
300.11392	0.7
307.10678	1.8
309.12326	0.9
312.15140	1.1
313.12781	1.3
314.13049	1.8
315.13882	1.2
316.10764	1.2
316.14459	2.4
317.15195	1.1
321.12436	0.7
323.10123	7.4
325.11771	23.7
326.13135	0.8
326.16684	1.4
327.13455	4.1
327.17126	1.2
328.10794	3.4
328.14505	2.5
329.15079	0.8
330.12387	1.0
330.16000	1.6
331.16714	1.8
337.11456	0.8
338.13028	0.7
339.13931	0.8
340.39923	0.6
341.11658	2.0
342.12247	6.6
342.15680	1.0
343.13007	7.0
344.13879	1.2
352.14316	0.8
353.12933	1.0
354.12518	1.2
354.16351	0.9
355.13406	2.0
356.13812	4.7
357.14417	9.9
358.15460	3.8
365.11316	1.3
366.16104	0.8
367.13693	1.8
369.11435	1.1
369.16135	1.0
370.11670	1.1
370.15561	4.8
371.16382	1.3
372.17062	1.2
378.18167	1.1
380.13800	1.1
382.11880	2.6
383.12680	2.2
384.13388	3.9
384.17090	1.1
385.14063	2.1
386.14713	2.3
386.18964	4.3
387.15146	1.0
388.16440	0.9
390.18051	2.8
394.15390	1.2
397.15527	1.6
398.14908	15.9
399.15717	25.4
400.16565	2.4
401.13733	1.1
402.18250	1.2
404.15903	6.6
404.20407	0.7
412.16592	1.8
414.18164	5.0
416.15976	16.9
417.15369	6.2
422.16357	2.1
428.15945	2.9
430.17755	3.8
440.15973	6.0
441.14182	1.8
446.17044	16.1
447.18088	0.8
448.18469	1.5
449.59180	0.7
458.17029	41.3
459.17279	1.2
460.18936	0.9
473.16742	1.0
478.19766	1.7
490.19632	8.7
520.20502	3.0
522.22772	0.9
551.22882	1.5
565.24310	1.6
567.25824	2.6
569.23792	6.9
575.22778	0.9
583.25281	2.5
593.23969	8.0
594.23206	1.1
607.23712	0.7
611.24915	100.0
612.25378	4.3
626.25024	4.0
643.26563	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	643.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43351	0.6
53.03903	0.5
55.01836	1.5
55.05476	2.0
57.03391	1.3
61.19005	0.5
62.87171	0.5
65.03899	1.1
67.05492	4.6
69.03389	2.0
69.07030	1.9
71.04949	0.7
73.63020	0.5
76.71616	0.6
79.05471	3.7
81.03405	5.9
81.06657	0.6
81.07043	6.2
82.16386	0.5
83.04945	2.4
83.08566	2.2
85.02858	1.5
85.06519	1.1
89.03843	0.8
91.05449	5.0
93.07026	4.8
94.06535	3.0
95.04921	2.3
95.07307	1.7
95.08562	1.9
96.08118	4.9
97.02853	1.5
97.06488	1.4
98.21525	0.8
99.04431	1.0
105.07010	5.6
106.06549	0.7
106.07272	0.5
107.04936	0.8
107.08573	5.3
108.04417	1.7
108.08092	7.3
109.02853	0.9
109.06455	1.9
109.10149	4.8
110.06065	0.6
110.09653	7.7
111.04375	1.6
111.08050	0.7
116.04963	3.1
117.06975	1.1
118.06541	0.7
119.04922	1.3
119.08554	3.5
120.03631	0.7
120.04427	3.4
120.08099	4.0
121.06460	1.5
121.10054	2.8
122.06001	4.5
123.04411	3.6
123.08027	0.9
123.11676	1.1
124.07541	2.5
125.09579	1.0
127.03826	1.2
129.06938	0.5
131.08530	1.8
133.06392	0.6
133.10094	8.5
134.05983	3.0
134.10406	0.6
135.04535	0.5
135.11646	2.0
136.07539	6.4
137.02316	1.0
138.05470	0.9
138.09097	9.9
139.03821	0.9
143.08438	0.8
144.04424	7.4
145.05113	0.6
145.06396	0.9
145.10083	1.4
146.05986	3.9
147.04411	3.7
147.11629	2.9
148.07550	2.5
149.13191	1.2
151.03879	0.5
151.11119	3.2
152.07033	1.3
153.01778	2.9
154.02055	1.0
155.08633	0.7
157.10086	1.5
160.03883	2.4
160.07619	0.9
161.09532	0.8
161.13249	0.7
162.05475	5.5
163.11151	1.3
164.06999	1.3
165.05434	2.4
165.09006	0.7
166.08604	10.4
167.07031	2.2
167.57062	0.6
169.12184	0.8
171.02829	1.4
172.03900	44.7
173.13255	3.0
174.05496	0.9
175.03889	1.3
175.11176	1.0
176.06995	2.8
177.05479	0.8
179.10670	0.7
181.04955	1.3
182.09641	1.0
184.07372	1.2
187.14803	0.6
189.05449	0.7
190.04973	9.6
191.06966	0.7
191.10558	1.3
191.14174	1.5
193.12184	2.4
195.02791	0.7
197.10657	1.0
198.11400	0.7
199.12312	1.1
204.06516	100.0
205.06857	2.0
205.08572	0.8
206.97417	0.6
209.10719	0.7
210.09163	1.3
211.08635	2.3
211.13295	2.9
212.09322	1.9
213.10239	0.7
223.08636	0.8
223.12297	0.5
224.09357	1.2
225.10207	7.7
226.10924	1.1
227.11697	10.7
229.26874	0.7
236.09381	1.0
236.24985	0.6
237.10138	1.9
238.10979	1.7
239.11771	3.0
241.09552	1.2
241.13321	0.7
249.10197	1.2
250.11061	0.6
251.11743	2.4
253.09805	5.0
253.14281	11.6
255.10574	0.8
263.08075	0.7
264.08832	2.5
265.09766	2.4
267.11200	2.9
267.15942	1.2
269.12836	10.0
271.10733	7.5
271.15381	2.3
273.07578	1.4
273.12308	4.1
274.07846	0.9
277.09750	1.1
278.10284	0.8
279.11234	2.4
281.12766	0.8
283.10706	4.7
284.11447	4.0
285.12283	5.0
286.13156	1.3
287.13834	20.8
289.13290	0.6
291.11206	0.7
295.10812	1.5
297.12204	6.7
299.13831	3.5
300.11334	0.9
300.14856	0.6
301.12891	0.8
302.12885	0.8
307.10809	1.3
309.12219	0.7
311.16461	4.2
312.15021	1.5
313.13293	1.0
314.13016	1.5
315.13727	1.6
316.10791	0.8
316.14267	1.2
321.12247	1.1
323.10260	5.5
325.11771	9.7
326.12756	1.1
326.16336	1.3
327.08432	1.0
327.13455	2.7
327.17020	1.3
328.10715	2.8
328.14398	2.4
329.14844	1.8
329.17749	1.2
330.16028	1.5
331.16772	1.5
339.13574	2.7
340.14474	0.9
341.11569	2.0
342.12244	6.0
342.15521	0.7
343.13022	4.1
344.13745	1.7
344.17471	1.0
352.14941	0.7
353.09857	4.7
354.12262	1.0
354.16119	0.6
355.13293	1.3
356.13913	4.9
357.14383	31.7
358.15366	4.7
368.13809	0.6
370.11481	1.0
370.15515	3.1
371.16232	1.0
372.17075	1.6
378.18134	1.2
380.13913	1.2
382.11917	1.9
383.12357	1.3
384.13037	3.6
385.14029	2.0
386.14728	1.9
386.18689	2.3
390.18173	2.6
394.15433	0.8
398.14902	16.3
399.15659	23.8
400.16171	1.7
402.18384	0.8
404.15927	6.0
412.16388	1.4
414.18246	4.0
416.15915	15.7
417.15790	1.2
422.16962	1.8
428.15936	1.2
429.21103	1.4
430.17627	2.5
440.15897	4.5
446.16974	9.5
447.17474	0.7
458.17017	25.6
459.16940	1.0
460.18640	1.1
463.21069	2.5
463.27118	2.0
478.19794	2.8
481.28146	1.9
490.19623	11.6
491.13364	0.8
491.20245	0.9
520.20514	0.8
565.24457	1.2
567.25641	2.5
569.23846	4.8
583.25403	2.3
593.23706	7.6
607.30536	0.9
611.24878	97.4
612.25092	4.7
625.33008	2.8
643.27197	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	643.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16716	0.3
53.03931	0.4
55.01859	0.3
55.05519	0.3
57.61731	0.2
58.56639	0.3
65.03922	0.7
67.05495	1.0
69.85136	0.3
78.52585	0.3
79.05485	1.7
80.05009	0.7
81.03387	0.4
81.05792	0.3
81.07037	0.9
82.06571	0.6
83.08632	0.3
89.03909	0.7
91.05463	0.9
92.04990	0.6
93.05784	0.6
93.07040	1.9
94.06555	4.1
95.04951	0.8
95.07323	1.7
95.08585	0.5
96.08109	5.0
97.06522	0.4
103.05504	0.4
105.07018	0.8
106.06541	1.5
107.07328	0.8
108.04459	1.9
108.08099	6.7
109.08887	0.5
110.09652	6.8
116.04944	2.2
118.06551	0.8
119.08640	0.5
120.04437	3.4
120.08088	5.9
121.10196	0.3
122.06007	3.9
123.04475	0.4
124.07576	6.1
130.06479	0.3
132.04428	0.5
133.10123	0.5
134.06004	2.8
136.07562	7.4
137.09662	0.3
138.05473	0.6
138.09114	8.2
142.01537	0.3
144.04433	4.3
144.08029	0.3
146.04883	0.2
146.05978	5.0
148.07536	3.0
150.05510	0.4
152.07037	1.6
153.01837	0.6
158.09636	0.3
160.03917	2.7
162.05482	3.1
164.07001	1.4
166.08623	9.4
167.07198	0.3
168.08095	0.3
172.03902	20.5
173.04291	0.4
173.13263	0.3
174.05472	1.4
176.07057	2.6
182.08237	0.4
182.09648	0.9
184.07408	0.6
184.09953	0.4
185.10796	0.6
187.08714	0.5
190.04956	14.9
191.05257	0.3
195.09180	0.6
196.09883	0.5
197.07138	0.4
197.10716	1.8
198.09311	0.6
198.11491	0.5
199.08696	0.7
199.12303	1.5
204.06528	35.4
205.06940	0.5
206.08200	0.3
207.09119	0.4
209.10654	1.3
210.09174	1.1
211.08612	3.0
211.12122	0.3
212.09390	1.9
213.10313	1.0
214.10803	0.4
215.30078	0.3
221.10687	0.4
222.07687	0.4
223.08647	1.1
223.12297	0.5
224.09158	1.4
225.10178	7.4
225.12328	0.4
226.10936	1.2
227.11751	11.5
228.12239	0.4
229.13254	0.6
233.10823	0.4
234.09229	0.4
235.08501	0.6
236.09392	1.3
237.10141	3.2
238.10942	1.5
239.11746	3.1
241.09731	1.3
241.13391	0.8
243.11220	0.4
245.12955	0.5
249.10098	1.6
250.10983	0.5
251.08206	0.8
251.11710	2.6
252.08932	0.8
253.09682	4.5
253.12344	0.4
253.13303	0.3
254.10326	0.8
255.11281	1.5
257.12885	0.7
261.10336	0.5
263.08167	0.9
263.11923	0.4
264.08853	2.8
265.09665	1.8
266.10513	0.7
267.08408	0.3
267.11234	2.2
269.09796	0.6
269.12796	15.3
271.10706	8.3
273.07611	0.6
273.12329	4.8
277.09619	1.8
278.10458	0.7
279.11273	2.5
281.09277	0.8
281.12717	0.7
283.10675	4.9
284.11505	3.7
285.12317	5.1
286.13171	1.2
287.13858	16.5
293.09082	0.6
293.12231	0.3
294.09930	0.5
295.10629	1.6
296.11627	0.7
297.12299	7.7
299.11270	0.4
299.13950	4.0
300.11591	0.7
300.14850	0.5
302.12976	0.5
307.10809	1.1
311.10587	0.8
311.14188	0.8
312.11887	0.4
312.14963	1.1
313.12793	1.5
314.12747	2.0
315.13757	1.4
316.10822	0.8
316.14471	1.4
317.15289	0.6
318.16287	0.5
319.10669	0.6
321.08838	0.5
321.12299	0.7
323.10153	5.0
324.11118	0.5
324.14981	0.3
325.11768	20.4
326.12653	1.3
326.16580	1.1
327.13474	3.0
327.17297	0.7
328.10782	2.8
328.14456	2.2
329.11667	0.9
329.15155	0.9
330.12457	0.8
330.16006	1.7
331.16739	1.4
338.12878	0.5
339.13675	1.0
340.14395	1.1
341.11456	1.6
341.15433	0.5
342.12463	5.6
342.15924	0.7
343.12988	7.5
343.17166	0.4
344.13831	1.3
344.17267	0.5
352.14514	0.6
353.12473	0.4
354.12460	0.7
354.16171	0.8
355.13248	1.5
356.13846	5.2
357.14389	9.6
358.15414	3.8
359.16202	0.4
365.11313	0.8
366.16220	0.7
367.12888	0.5
368.14011	0.8
369.10907	0.4
369.15216	0.4
370.11633	0.7
370.15552	4.2
371.16095	1.1
372.17004	1.1
373.14041	0.5
374.18890	0.4
378.17960	1.4
380.13977	1.0
381.15256	0.3
382.11710	3.7
383.12619	2.7
384.13275	3.5
385.14078	2.0
385.18521	0.3
386.14148	2.2
386.19180	2.3
387.15521	0.6
388.16614	1.4
390.18100	2.7
394.15497	0.9
396.17236	0.4
397.14603	0.6
398.14926	16.4
399.15707	24.5
400.16455	2.3
401.13257	0.5
402.18143	1.2
404.15924	4.4
404.20529	0.4
405.16977	0.3
406.17743	0.3
412.16690	2.1
414.18112	4.1
416.15976	16.2
417.16376	1.7
422.17041	1.8
428.15933	2.4
430.17587	2.4
440.16040	5.3
446.17041	13.5
447.17480	1.3
448.18594	1.0
458.17035	30.9
459.17645	1.3
460.18677	0.8
463.21194	0.6
476.17999	0.6
478.19586	2.2
479.20798	0.4
490.19623	8.1
491.20206	0.4
520.20935	0.5
523.23663	0.4
525.24945	0.5
539.26013	0.5
541.24384	0.8
549.25073	0.4
551.22693	0.4
552.23944	0.5
565.24493	1.7
567.25867	2.8
569.23871	5.1
570.24475	0.5
583.25342	2.7
593.23877	6.8
593.33044	0.5
611.24884	100.0
612.25146	6.1
643.27374	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	643.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41239	0.5
62.82452	0.4
106.70235	0.5
114.03472	0.5
123.85168	0.5
128.17470	0.4
170.58897	0.5
192.46765	0.5
254.34128	0.5
346.56036	0.7
358.76605	0.6
396.12027	1.3
397.12820	1.8
398.13589	1.1
400.14532	0.5
410.13629	1.9
411.14429	5.8
412.15189	4.5
413.15985	2.0
423.14395	2.1
424.16019	3.2
425.16156	12.1
426.16769	8.1
427.17410	2.2
428.18082	1.4
430.16882	0.5
438.12885	2.4
438.17337	1.8
439.13452	15.0
439.18845	0.9
440.13376	1.1
440.19202	4.4
441.19214	37.5
442.19589	4.4
451.18057	0.9
452.14417	3.0
453.15262	16.9
454.15823	5.9
455.16647	0.7
457.14700	0.8
463.13721	0.6
465.15869	0.8
466.16629	0.6
467.17065	26.6
468.17831	17.2
469.18753	13.3
470.19156	1.0
471.16180	0.6
472.17636	1.0
480.17514	1.5
481.14505	12.2
482.15274	4.0
483.15671	0.7
485.18417	1.2
495.16678	2.9
496.17093	13.9
497.17780	3.5
498.18604	0.9
499.15460	0.7
499.19739	0.6
508.20178	0.7
509.18237	2.3
510.19293	0.6
512.20355	0.9
514.23010	2.5
522.17694	0.8
523.19690	1.4
524.20520	0.8
527.23376	3.3
528.19537	0.6
542.22137	0.6
545.24280	0.6
555.22302	28.7
556.22748	3.8
557.24365	0.5
583.21796	100.0
584.22034	10.8
587.25146	2.2
611.21271	2.1
615.24390	11.9
616.24561	0.9
643.23846	80.4
644.23987	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	643.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.4
53.03921	1.0
54.41132	0.3
55.01844	1.4
55.05487	0.8
57.03405	0.5
63.02386	0.3
65.03934	2.9
67.05492	2.0
67.08030	0.3
68.99780	0.4
69.03426	1.8
69.07042	0.9
70.29092	1.5
72.54082	0.3
73.23577	0.3
77.03887	0.4
78.04688	2.6
79.05122	0.3
79.05481	3.4
81.03414	1.6
81.07034	1.9
82.04171	1.1
83.04983	0.5
85.02883	2.8
85.06542	0.4
89.03885	0.3
91.05463	4.5
93.03374	0.8
93.06538	0.3
93.07042	2.0
94.04173	0.4
95.04958	3.0
95.08587	1.5
96.05727	0.4
96.61824	0.3
97.02850	1.1
97.06486	1.3
97.10123	0.9
99.04423	0.4
101.82392	0.3
103.05454	4.7
105.03374	0.8
105.07011	4.1
106.04162	1.9
107.04929	5.3
107.08567	1.4
108.02045	0.5
109.02806	0.4
109.06493	0.6
109.10139	1.6
110.03628	1.4
111.04396	0.9
111.08022	0.8
115.05425	5.3
117.03342	0.4
117.06192	0.6
117.06992	8.6
118.04131	0.7
119.04903	1.1
119.08556	1.6
121.02860	0.9
121.06504	3.1
121.10112	0.9
123.04403	10.9
123.08026	0.7
123.11655	0.5
124.05193	3.1
125.05978	1.8
125.09636	0.7
127.03891	1.0
127.05422	1.3
128.06187	0.4
129.06981	0.4
130.04184	0.6
131.04915	3.2
131.08467	0.5
133.02843	0.4
133.06454	2.8
133.10097	1.7
134.03589	0.9
135.04362	1.3
135.07990	0.7
135.11652	1.0
136.38123	0.3
137.02325	0.4
137.05943	2.5
137.09558	0.9
138.03094	0.9
139.03853	0.8
139.07535	0.4
140.04648	1.0
142.02576	1.0
143.04895	0.8
144.05667	0.6
145.02808	0.8
145.06456	13.3
145.10091	0.7
146.03464	0.4
147.04376	2.7
147.08049	0.8
147.11647	1.1
148.05141	1.3
149.05956	4.1
151.03879	2.0
151.07541	1.3
152.04646	2.3
153.01807	0.4
153.05421	1.9
155.05997	3.3
155.07079	0.6
156.94508	0.4
157.06500	0.5
157.10097	0.5
159.04364	0.9
159.11678	0.5
160.05145	0.7
161.05943	4.1
163.03851	1.1
163.07492	1.9
163.11162	0.5
165.05412	1.9
165.09073	0.7
166.06262	0.5
167.07007	100.0
168.07346	1.0
171.06519	2.7
172.03865	0.5
172.05299	0.4
173.05952	22.9
173.13194	1.0
174.06264	0.4
175.03860	0.6
175.07532	1.0
176.04663	0.6
177.05440	6.0
177.06853	0.5
178.05919	0.6
179.07039	0.7
181.04924	49.5
181.08456	1.5
182.05292	0.7
185.05962	0.4
185.13252	0.4
188.04645	0.5
189.05431	0.9
190.06325	0.4
191.06998	6.7
193.04883	0.4
193.08560	2.0
194.05760	0.4
195.06508	1.4
201.05453	0.6
203.06935	1.9
204.06445	0.4
205.08557	6.2
207.06491	1.5
207.10091	0.5
209.08005	3.3
217.08566	0.6
219.06601	1.0
221.08018	0.6
222.06763	0.5
225.07561	0.6
231.06500	0.9
233.05917	0.3
233.08035	5.3
235.07576	0.3
235.09608	6.6
243.17459	0.7
250.06227	0.7
251.06921	0.5
261.18521	0.6
263.06891	0.5
265.08603	1.0
279.10330	0.4
282.08951	0.4
283.09665	0.4
293.08066	0.9
297.11292	1.0
299.09128	0.4
310.08337	1.3
311.08997	0.5
311.16379	1.0
313.10889	0.3
323.09338	0.5
325.10968	1.2
326.11554	0.6
327.08578	0.5
329.17419	0.8
341.10077	0.8
342.10999	0.4
353.10080	1.8
355.12167	0.4
357.13217	5.5
367.11731	0.8
369.13281	0.6
381.12912	0.4
385.12735	26.6
386.13403	1.1
387.14319	4.7
397.12964	0.8
399.14682	1.3
415.14001	1.2
417.15347	13.1
418.15771	0.4
445.29221	0.4
458.17395	0.5
463.21103	1.3
481.22375	0.9
491.22787	0.6
611.24786	1.7
643.23730	53.9
644.24054	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01867	1.2
55.05486	0.3
56.68369	0.2
57.03403	0.3
65.03930	2.3
67.05481	1.3
69.03413	1.5
69.07040	0.7
69.51368	1.9
71.04968	0.2
75.80952	0.3
77.03905	0.3
78.04697	2.7
79.05478	2.5
81.03377	1.1
81.07047	1.6
82.04161	0.9
83.04931	0.3
85.02883	2.1
85.06457	0.3
91.05464	3.2
93.03372	1.1
93.07027	1.5
94.04192	0.3
95.04956	2.9
95.08565	0.9
97.02845	0.9
97.06487	1.1
97.10138	0.2
99.04411	0.3
103.05450	2.7
105.03334	0.7
105.07005	1.0
106.04128	1.6
107.04934	3.2
107.08558	0.9
108.02106	0.4
109.02819	0.5
109.06467	0.7
109.10085	0.5
110.03645	1.5
111.04411	0.9
111.08056	0.3
115.05426	4.9
117.03330	0.5
117.06209	0.4
117.06994	7.8
119.04895	0.3
119.08571	1.5
121.02834	0.5
121.06470	2.5
121.10112	0.5
122.03584	0.7
123.03545	0.5
123.04405	8.4
123.07992	0.3
124.05184	2.3
125.05986	1.3
127.03867	0.3
127.05421	1.2
128.86807	0.2
129.06979	0.3
131.04904	2.4
131.08543	0.6
132.05679	0.5
133.06470	0.6
133.10109	0.5
134.03603	0.8
135.04379	1.1
135.07976	0.3
135.11618	0.4
136.07515	0.3
137.05934	1.9
137.09587	0.4
138.03108	0.8
139.03899	0.7
140.04642	0.5
142.02596	1.4
143.04836	0.7
144.05666	0.5
145.02811	0.9
145.06458	14.1
145.10120	0.4
147.04373	1.3
147.08014	1.2
147.11662	0.5
148.05112	0.9
149.05933	3.3
151.03874	1.9
151.07498	1.1
152.04642	1.9
153.05421	1.4
155.04810	0.4
155.06001	4.2
155.07108	0.5
159.04370	0.8
159.07968	0.3
160.05164	0.4
161.05931	0.9
163.03900	1.3
163.07498	0.5
163.14951	0.3
165.05450	1.5
165.09042	0.3
166.06352	0.3
167.07005	100.0
168.07352	1.4
171.06503	2.3
173.05951	22.6
173.13203	0.6
174.06477	0.4
175.03856	0.4
175.07558	1.4
176.04640	0.4
177.05446	4.5
177.08997	0.4
179.06944	0.4
181.04921	42.0
182.05269	0.7
188.04662	0.4
189.05513	0.4
190.06197	0.4
191.06984	2.3
193.04988	0.4
193.08591	0.4
195.06482	1.0
198.85815	0.3
201.05496	0.9
203.06993	2.0
205.06667	0.3
205.08551	5.9
207.06476	0.9
207.10103	0.5
209.07979	2.1
217.08542	0.6
218.05609	0.5
219.06473	0.5
220.96753	0.3
221.08014	0.3
222.06622	0.3
231.06580	0.6
233.08037	5.8
235.07552	0.3
235.09607	5.9
235.11806	0.5
236.08240	0.3
247.07329	0.4
249.08937	0.3
250.06123	0.3
255.10252	0.4
263.06931	0.3
265.08493	0.6
265.48242	0.3
282.08710	0.4
293.08124	0.7
295.05896	0.4
297.07877	0.3
297.11255	1.1
299.08963	0.5
310.08203	0.8
311.16385	1.1
313.17908	0.4
323.09338	0.4
325.10648	0.9
326.11469	0.5
327.08572	0.4
329.09940	0.3
329.17587	0.5
338.11713	0.3
341.09946	0.4
353.10226	0.7
355.11737	0.3
357.13266	4.3
367.11688	0.4
370.10245	0.3
372.11896	0.4
381.13217	0.4
385.12723	23.1
386.13492	1.2
387.14294	6.3
388.14709	0.3
399.14594	0.7
415.13898	0.5
417.15338	27.0
418.15799	0.6
458.17300	0.3
463.21222	0.6
533.96338	0.3
611.24597	0.8
643.23718	46.1
644.24060	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01847	1.3
55.05478	1.9
61.02913	0.5
65.03927	3.6
67.05483	2.6
68.13487	0.4
68.92627	0.4
69.03420	3.2
69.07030	1.1
71.04970	0.6
77.03928	0.5
78.04682	2.7
79.05470	4.0
81.03405	2.6
81.07044	3.7
82.04165	0.7
82.41235	0.4
83.04971	1.2
83.08603	0.5
85.02892	3.8
85.06476	1.1
86.09622	0.6
91.05462	6.1
93.03378	1.1
93.07025	4.2
94.06544	0.5
95.04959	4.0
95.08592	2.2
96.08108	0.6
97.02859	1.7
97.06501	1.6
97.10140	1.5
101.02368	0.4
103.05430	4.5
105.07017	5.6
106.04141	1.4
107.04930	5.8
107.08574	2.5
108.08092	0.7
109.02833	1.6
109.06477	1.2
109.10127	2.5
110.03623	1.7
110.09653	0.6
110.10482	0.5
111.04403	1.3
111.08018	0.5
115.05428	6.0
117.07001	8.6
118.04179	0.5
119.04925	2.0
119.08562	2.9
120.08041	0.9
120.41587	0.4
121.02822	1.2
121.06483	3.8
121.10165	2.1
122.03560	0.6
123.04416	11.0
123.08050	1.2
123.11654	0.7
124.05212	2.9
124.07594	0.5
125.05968	2.2
125.09615	0.9
127.03874	1.5
127.05421	1.4
129.06941	0.7
130.04100	0.5
131.04909	3.5
131.08563	1.7
133.06458	3.2
133.10110	3.4
134.03651	0.6
135.04364	1.7
135.08003	1.3
135.11655	1.9
136.07556	0.7
137.02362	0.6
137.05945	3.1
137.09586	1.3
138.03073	0.9
138.09093	0.9
139.03860	1.2
139.07596	0.4
140.04674	0.7
142.02603	1.3
143.04889	0.6
143.08536	0.8
145.02777	1.2
145.06461	14.2
145.10091	1.4
146.03447	0.5
147.04382	4.6
147.08038	1.4
147.11682	2.7
148.05119	1.2
149.05936	4.5
149.13211	0.9
151.03850	3.9
151.07524	1.7
151.11151	0.6
152.04651	2.6
153.01848	0.8
153.05432	2.2
155.05995	3.9
155.10646	0.5
157.06496	0.5
157.10115	0.7
159.04372	0.9
159.08026	0.8
159.11639	0.9
160.05168	0.5
161.05962	5.5
161.09596	0.5
161.13243	0.8
163.03857	2.0
163.07513	1.8
163.11166	0.8
165.05466	3.9
165.08992	0.6
165.12581	0.5
166.08629	0.6
167.07007	100.0
168.07329	2.7
171.06532	2.1
171.11655	0.5
172.03856	1.6
173.05956	20.6
173.13248	2.4
175.03786	1.1
175.07544	1.5
175.11078	0.5
176.04665	0.8
177.05447	6.6
177.09109	0.7
178.05887	0.6
179.06982	1.3
181.04921	51.3
181.08492	1.8
182.05368	0.9
183.11688	0.6
187.07512	0.5
189.05461	1.1
189.09058	0.8
190.04820	1.0
190.06390	0.7
191.06976	8.8
191.14273	1.1
192.07707	0.5
193.08604	2.6
195.06502	1.8
201.05435	0.9
203.06981	2.1
204.06476	2.8
205.08525	6.9
205.10283	0.6
207.06503	1.7
209.08046	3.8
215.14362	0.6
217.08575	1.5
219.06390	1.3
219.08290	0.5
221.08028	0.8
225.07472	0.7
225.10214	0.4
227.11821	0.6
229.08568	1.0
231.06493	0.9
233.08052	6.3
234.08710	0.5
235.07417	0.5
235.09567	7.0
243.17435	0.6
250.06241	0.8
250.11789	0.4
251.06880	0.4
255.10036	0.6
261.18530	0.6
263.06921	0.6
265.08701	0.5
269.12527	0.9
271.10498	0.5
273.12338	0.4
277.08423	0.5
283.10507	0.6
287.13858	0.8
292.07327	0.6
293.08240	0.7
293.15399	0.5
295.09637	0.5
297.11304	0.7
299.08981	0.6
310.08017	0.6
311.16354	4.0
323.09610	0.6
325.11234	2.4
326.11224	0.6
327.08588	1.0
327.12695	0.5
329.17484	2.0
337.11160	0.4
341.10257	1.0
342.11404	0.5
343.11945	0.5
353.10132	2.9
355.11423	0.7
357.13251	4.8
381.13425	0.8
385.12726	25.9
386.13309	1.7
387.14331	6.7
398.15027	1.1
399.15210	2.8
404.16254	0.5
415.13974	0.7
416.15750	1.3
417.15366	13.9
418.15668	0.7
427.28268	0.6
440.15628	0.5
445.29678	0.6
446.17029	0.5
458.17386	2.0
463.21304	3.6
481.22995	2.3
490.19629	0.6
491.22479	2.3
569.23633	0.6
593.23944	0.8
611.24976	7.2
612.25336	0.8
643.23724	54.0
644.24200	5.0
671.43921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50209	0.4
53.13150	0.4
61.02878	0.9
69.03418	2.2
69.07030	0.8
70.06556	0.6
71.62286	0.7
77.00877	0.5
81.03383	1.0
83.04954	0.5
85.02882	4.4
85.52642	0.4
97.02821	1.6
98.97544	1.1
109.02859	0.7
113.00814	0.7
116.98561	1.2
119.01906	3.0
120.08032	1.9
121.02806	1.7
121.92487	0.4
123.04369	0.8
124.03930	0.7
124.07508	0.6
127.02381	0.7
127.03851	1.7
131.01909	2.2
133.03418	0.7
133.06418	0.5
134.99577	0.6
135.04349	0.7
135.20123	0.5
137.02945	0.6
139.03838	0.5
139.79033	0.5
143.01852	2.8
145.03397	6.2
145.04820	1.1
146.99614	0.4
147.01332	0.7
147.04355	1.6
149.06589	0.6
153.13568	0.5
155.01860	8.9
155.05554	0.6
156.02586	0.8
156.92270	0.4
157.03441	3.1
161.02939	4.8
163.03883	2.0
166.08600	0.8
167.01874	1.2
167.06979	1.9
173.02939	12.5
173.06572	3.3
174.03154	0.6
175.04456	1.6
179.06970	0.7
181.08569	0.6
185.02948	5.7
185.06564	5.5
187.04460	0.6
187.08066	1.0
191.07600	0.9
196.83340	0.5
197.06563	1.3
199.08090	2.1
201.05942	0.6
203.03963	10.1
203.07603	1.8
209.06459	1.7
211.09671	0.9
215.05881	0.5
215.07581	2.7
217.09204	1.6
219.01733	1.1
221.05032	51.5
222.05167	2.7
226.05620	0.6
227.07564	4.0
231.07112	1.1
234.98994	0.6
237.02785	1.6
239.07597	1.7
240.07741	0.4
243.06874	0.5
244.06642	2.0
245.08687	1.2
257.08636	17.2
258.08807	0.9
273.08179	0.9
275.09711	66.9
276.09888	4.1
277.09839	0.6
285.08115	1.9
287.09668	18.1
288.09927	1.0
289.11322	0.8
298.11328	2.7
299.11624	0.7
305.10767	100.0
306.10986	6.1
313.05725	0.7
321.08789	0.7
328.12344	1.4
333.10245	84.2
334.10422	3.9
349.07874	1.1
351.11313	54.1
352.11600	2.4
367.09314	1.0
374.12891	7.4
463.16589	12.4
481.17615	8.9
491.99252	0.5
495.15338	0.9
643.22839	15.1
644.23383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.5
53.03926	0.9
55.01850	1.4
55.05500	5.3
57.03419	1.7
58.76560	0.3
59.04974	0.4
61.02925	2.0
63.85209	0.3
64.24700	0.3
65.03931	0.9
66.68532	0.3
67.05493	16.1
68.05844	0.4
69.03400	1.3
69.07056	6.0
69.53151	0.7
69.53558	2.2
70.07363	0.4
71.04958	1.0
71.67347	0.3
73.02919	0.5
79.05479	12.0
80.05809	0.4
81.03404	1.7
81.07047	13.4
83.04959	1.5
83.08599	3.1
85.02898	2.6
85.06524	1.3
91.03937	1.2
91.05466	16.5
92.05822	0.6
93.07030	12.8
95.04964	2.2
95.08591	10.7
96.08927	0.5
97.02880	1.3
97.06516	3.7
97.10149	1.4
99.08085	0.6
103.05461	0.6
105.07015	16.7
106.07336	0.8
107.04939	2.0
107.08585	7.0
108.08926	0.8
109.06523	2.8
109.10144	4.5
111.08049	1.1
115.05439	1.3
116.97087	0.4
117.06999	7.7
118.07372	0.4
118.20609	0.3
119.08562	12.2
120.08906	0.6
121.06467	2.2
121.10120	5.3
123.08025	1.3
123.11667	0.7
125.09613	0.7
127.07564	0.4
128.06166	0.7
129.06990	5.6
130.07803	0.4
131.07573	0.7
131.08549	13.4
132.08920	0.4
133.06493	1.3
133.10104	7.5
134.10443	0.7
135.08067	2.1
135.11646	2.3
137.09584	1.2
138.13663	0.4
139.11172	0.4
141.06972	2.1
142.07761	0.7
143.08548	5.5
145.06462	1.2
145.10100	8.7
146.10406	0.5
147.08022	1.5
147.11661	3.4
149.09616	2.1
149.13187	0.9
151.11171	0.6
155.08537	3.1
157.10118	3.4
158.10439	0.4
159.07942	0.8
159.11662	4.6
161.09589	1.1
161.13246	1.6
163.11174	0.5
167.08580	0.9
169.10078	3.1
171.08090	0.4
171.11662	3.5
173.09587	0.6
173.13252	2.3
175.14825	0.4
177.12756	0.5
179.14301	0.4
181.10097	1.6
183.11667	1.9
184.07343	0.8
185.09647	0.4
185.13243	1.8
187.11192	0.7
187.14793	1.2
189.12695	0.5
195.11589	1.7
197.13284	1.9
199.11075	0.5
199.14815	1.1
201.12726	0.5
201.16362	0.6
203.14275	0.4
207.11729	0.4
208.12239	0.3
209.13234	1.2
211.14841	1.1
213.12703	0.5
213.16284	0.4
215.14355	0.6
223.14792	1.0
225.16408	0.9
227.12645	0.4
228.00902	0.3
229.15950	0.4
233.15295	0.8
235.14833	0.4
239.17990	0.4
241.15912	0.5
247.16978	1.0
255.17383	0.4
257.18997	1.0
259.16943	0.5
261.18436	0.7
273.18472	0.6
275.20053	2.5
276.20352	1.6
307.23969	0.6
325.25229	1.0
335.23761	0.7
343.26331	1.4
349.23648	0.8
350.23901	1.0
353.24731	3.9
365.69788	0.4
371.25836	4.3
389.26752	4.9
427.28381	0.8
445.29431	100.0
446.29745	5.4
463.30478	21.2
463.35779	0.4
464.30972	0.9
544.37537	0.8
545.38251	1.6
582.27802	0.4
607.34326	0.4
624.43488	1.7
642.29749	4.8
642.44373	1.4
643.29510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
53.03926	1.3
55.01849	1.3
55.05261	0.4
55.05507	6.5
57.03431	2.0
57.07059	0.7
59.04984	0.5
61.02916	2.5
63.74549	0.4
65.03943	0.7
67.05493	17.7
68.05840	0.4
68.42661	0.3
69.03419	0.9
69.07059	5.9
69.53363	3.1
71.04977	1.4
73.02889	0.5
77.30447	0.4
79.05479	14.1
81.03392	1.5
81.07045	17.7
83.04971	1.6
83.08599	3.5
85.02889	2.3
85.06513	1.3
91.03967	1.8
91.05467	18.0
93.07027	15.4
95.04964	2.5
95.08592	10.8
97.02880	1.5
97.06536	2.5
97.10151	1.5
98.21488	0.8
99.04404	0.5
99.08089	0.7
103.05428	0.8
105.07013	18.3
106.07362	0.5
107.04945	1.6
107.08585	8.3
109.06506	2.7
109.10145	4.4
111.08050	1.5
115.05431	0.8
116.06241	0.5
117.06995	9.2
119.08564	13.7
119.78182	0.4
120.08952	0.6
121.06462	2.3
121.10121	6.4
123.04543	0.4
123.08049	1.3
123.11674	1.1
125.09606	0.8
127.03973	0.6
128.06210	1.1
129.06975	5.6
130.07819	0.6
131.08546	16.2
132.08858	0.5
133.06506	1.0
133.10109	8.7
135.08052	2.0
135.11693	2.7
137.09587	0.7
139.11160	0.6
141.06941	1.8
142.07773	0.4
143.08536	6.3
145.06454	1.1
145.10097	9.6
146.10423	0.4
147.07986	1.8
147.11661	3.6
149.09647	1.7
149.13268	0.7
154.07735	0.4
155.08507	3.0
157.10080	5.7
158.10646	0.4
159.08051	0.8
159.11681	4.4
161.09621	1.1
161.13234	1.3
162.16673	0.4
163.11183	1.1
167.08577	1.3
169.10080	2.5
171.11650	3.2
172.12070	0.4
173.09558	0.9
173.13223	1.7
175.11159	0.6
175.14737	0.6
175.66537	0.4
177.12723	0.7
181.10083	1.4
183.11641	2.5
184.07306	0.5
185.13228	2.3
187.11172	0.8
187.14839	1.7
189.12720	0.5
189.16473	0.4
195.11664	1.4
197.13257	2.0
199.11159	0.6
199.14795	1.4
201.12653	0.5
201.16336	0.7
209.13234	1.4
209.18898	0.4
211.14838	1.9
213.12636	0.6
213.16383	1.1
215.14235	0.9
215.17886	0.7
217.15817	0.7
223.14697	0.6
225.16382	0.9
227.14438	0.8
233.15361	1.0
237.16281	0.5
241.15816	0.7
243.17416	0.6
243.93259	0.4
247.16928	1.7
257.19061	0.5
259.16974	0.6
261.18384	1.0
272.91296	0.3
273.18491	0.7
275.20020	0.8
276.20206	0.6
325.25253	1.1
335.23514	1.5
343.26205	1.6
343.30078	0.4
353.24658	4.6
371.25815	5.4
389.26810	5.5
427.28583	0.8
445.29434	100.0
446.29675	3.8
463.30499	29.1
464.30688	1.5
498.84799	0.4
544.00055	0.4
544.37250	0.7
582.27234	0.5
625.44489	0.5
642.29645	1.5
642.44629	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.44
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27498	1.8
53.03922	5.3
55.01858	18.2
55.05497	49.0
56.40263	1.9
57.03416	11.3
57.07046	5.2
65.03912	5.1
67.05489	79.2
68.68835	2.1
69.03414	12.4
69.07051	41.8
71.04962	7.5
71.08601	2.8
71.62882	2.5
79.05473	67.5
80.04008	1.7
81.03398	4.9
81.07035	69.7
83.04968	8.4
83.08592	28.0
85.06517	4.2
89.37012	1.6
91.04887	2.2
91.05457	58.0
93.07025	63.3
95.04938	18.6
95.08589	47.8
97.02866	6.7
97.06512	17.4
97.10134	31.1
103.05486	2.3
105.07008	62.0
107.04944	10.6
107.08569	45.5
109.06479	9.7
109.10133	28.0
111.08071	8.4
113.09541	2.2
115.05385	2.9
117.06218	2.4
117.06997	26.3
119.08561	49.6
121.06458	7.0
121.10123	24.2
123.08017	7.6
123.11704	8.5
125.09605	27.9
128.06194	4.3
128.72954	1.7
129.06981	19.8
129.39911	2.2
130.07759	3.7
131.08534	38.4
133.06474	4.8
133.10089	40.7
135.08035	11.2
135.11667	16.5
137.09537	4.7
139.11180	3.5
141.06946	7.3
142.07735	4.2
143.08528	17.6
145.06412	2.5
145.10085	36.1
147.08012	7.7
147.11656	30.0
149.09572	6.5
149.13226	9.9
151.11159	1.8
153.07018	2.3
153.09106	3.5
154.07664	1.9
155.08554	10.8
157.10075	18.5
159.08011	3.2
159.11646	23.0
161.09573	5.5
161.13181	20.7
163.11124	6.6
163.12384	1.9
163.39053	1.8
164.70999	1.8
165.09102	2.3
166.07689	1.7
167.08522	6.4
168.09348	2.5
169.10089	13.8
171.10225	3.2
171.11617	17.6
173.13170	14.2
175.11163	4.4
175.14777	12.5
177.12669	5.8
181.10080	9.7
182.11023	1.9
183.11644	16.2
185.13223	14.5
187.14771	6.0
189.11226	16.6
189.12694	3.6
193.10008	3.0
195.11678	7.7
197.13193	9.6
199.11206	2.3
199.14787	8.3
201.12724	2.6
201.16299	2.7
205.15912	2.1
207.11679	3.4
209.13158	5.4
211.14754	8.1
213.16284	3.8
219.11755	2.0
221.13228	3.5
223.13002	10.2
223.15108	3.1
223.16844	2.3
225.16446	4.8
227.12711	23.6
227.17979	3.6
229.14224	2.0
231.17392	2.7
231.21046	2.7
235.14778	3.1
237.16313	6.0
239.17830	4.1
241.19464	25.2
243.15814	2.9
245.13640	3.1
253.19498	2.0
257.18781	4.6
259.20508	41.5
263.17728	2.4
267.21051	2.3
271.20407	2.2
273.18500	9.8
275.20029	16.6
277.21674	2.4
283.20493	2.2
285.21994	4.8
289.17844	4.3
291.19479	85.1
292.67752	1.8
293.21051	2.9
315.23108	3.8
333.24139	33.8
335.25754	4.3
341.24847	2.1
347.45807	1.9
349.23624	6.0
363.21823	2.0
363.26627	3.2
365.23203	35.0
379.25574	2.3
379.29913	7.2
381.27612	3.2
397.30692	2.5
431.22446	2.5
433.23792	3.6
437.30389	2.3
445.29440	2.5
449.23264	2.1
451.32266	2.4
455.32034	2.9
462.20270	3.1
463.20615	3.5
474.23709	2.8
475.20984	5.1
477.22849	9.0
489.22256	2.3
491.23904	2.6
511.34027	5.6
513.36646	4.9
515.33191	2.2
525.35394	5.6
529.35120	9.7
531.38013	7.1
543.36761	15.1
545.25018	4.2
547.27045	8.6
549.24786	6.1
549.39093	8.3
550.25232	8.3
563.26282	5.0
564.26385	3.8
571.36377	1.9
579.29047	3.4
591.25739	7.5
595.43579	3.5
599.28674	2.0
605.27423	14.1
605.41736	18.8
623.28198	62.3
623.42645	100.0
624.28497	16.0
624.43109	5.3
641.28711	10.7
641.43921	51.1
652.27704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.2
53.48847	0.7
53.68076	0.6
55.01865	4.3
55.05506	13.9
57.03436	8.0
57.07080	0.9
59.04982	1.6
59.62425	0.8
61.02916	1.5
65.03929	2.9
67.01857	4.9
67.05499	47.0
68.99775	2.7
69.03073	1.1
69.03421	17.9
69.07063	9.1
69.44364	7.7
71.01328	1.1
71.04985	35.2
71.08612	0.8
72.05326	1.2
73.02885	1.0
76.87241	0.8
78.37421	0.7
79.05051	1.4
79.05487	24.7
79.05946	1.3
80.05819	0.8
81.03409	54.6
81.07047	28.9
82.03716	0.9
82.07377	1.2
83.04972	14.1
83.08607	13.4
85.02897	17.5
85.06513	3.2
86.09701	1.9
87.04457	1.3
91.05470	33.3
92.05805	1.3
93.06453	1.6
93.07035	27.1
95.04957	17.0
95.08591	17.9
97.02892	11.3
97.06532	6.0
97.10158	6.3
98.20730	1.5
99.04441	31.8
99.08045	1.2
103.05437	2.1
105.03465	0.9
105.07017	100.0
106.07391	3.9
107.04959	8.2
107.08584	17.5
109.02859	12.9
109.06512	9.5
109.10141	24.4
111.00782	1.0
111.04428	5.4
111.08067	6.3
113.05952	1.6
115.05432	1.6
117.05501	0.8
117.06992	6.3
119.04942	5.2
119.08570	21.1
120.08097	1.3
120.08890	0.9
121.02829	1.9
121.06487	9.4
121.10128	9.0
123.04414	8.1
123.08040	12.1
123.11687	4.4
125.02337	1.5
125.05964	0.9
125.09624	6.2
127.03900	8.0
127.07520	1.0
128.06229	2.6
129.05447	2.2
129.06996	7.2
130.07817	1.3
131.04890	1.9
131.08537	12.0
133.06479	9.5
133.10115	73.1
134.10474	2.2
135.08047	3.0
135.11679	11.4
137.05965	3.0
137.09587	7.1
137.13214	1.0
139.03860	1.6
141.06981	0.9
142.07774	1.6
143.08540	6.7
145.06483	2.4
145.10107	12.0
146.07249	2.7
147.04393	14.3
147.08040	3.3
147.11662	9.1
148.12004	0.9
149.06000	1.6
149.09634	4.4
149.13216	2.2
150.09087	2.0
151.03880	1.6
151.07509	7.0
151.11163	5.8
153.01811	42.0
153.05394	2.2
154.02209	1.1
155.10658	2.1
157.10118	7.9
159.08089	2.1
159.11676	3.2
161.05952	2.4
161.09599	69.0
162.09940	4.5
163.03905	2.2
163.11163	50.5
164.11496	2.2
165.01816	1.4
165.05489	11.1
165.09122	3.5
165.12709	2.8
167.07098	1.3
169.10046	1.3
169.12256	1.5
171.02867	40.6
171.08006	1.5
171.10152	0.8
171.11650	1.8
173.04434	4.8
173.05812	1.2
173.09593	1.2
173.11768	5.8
173.13066	1.3
175.03975	0.8
175.11147	6.1
177.01765	1.1
177.12753	1.4
179.03342	1.7
179.10655	72.1
180.10994	3.3
181.04797	1.0
181.12221	2.6
183.02917	1.6
183.06554	1.0
183.11650	1.0
184.07349	3.9
187.11139	1.5
187.13246	2.3
189.05501	1.4
189.09091	15.4
189.11006	1.8
189.12778	1.5
191.03410	1.6
191.07086	1.0
191.10686	1.2
193.12230	15.3
195.02893	21.5
204.06479	0.9
207.06528	1.8
207.10104	12.8
207.11786	1.3
211.13246	21.9
212.13708	1.2
219.02797	1.0
219.13786	1.3
221.15361	1.1
225.11169	1.2
227.12773	2.6
229.14258	3.1
243.13618	1.1
243.15855	1.8
249.04002	0.9
249.10338	1.5
255.15955	2.5
259.13312	1.0
261.03949	3.2
267.15942	8.9
269.17447	3.2
273.07541	45.4
274.07901	3.4
277.14310	1.5
278.39471	0.9
283.13098	1.0
285.07370	1.1
285.16989	4.7
287.18442	1.1
297.07626	1.4
301.14182	2.5
305.13666	1.3
313.16113	0.9
315.08545	8.8
317.10110	9.0
323.14825	1.7
325.16525	2.3
327.15915	4.9
329.21094	1.1
333.13397	3.1
339.08588	3.2
351.14420	3.9
363.08554	2.6
369.15256	2.2
381.09509	2.7
381.18997	1.9
382.11145	0.9
384.16635	1.2
393.19107	1.6
403.24524	1.4
411.20358	1.4
413.21762	2.4
421.25882	9.1
429.26385	1.9
431.22797	1.3
435.27374	1.0
438.14130	1.5
439.26938	6.5
443.27936	1.8
447.27408	11.4
453.28467	4.4
456.15430	2.6
461.28778	5.4
465.28436	3.0
476.18460	2.1
479.20538	2.9
479.29749	4.7
488.18210	5.5
497.31125	7.8
531.29382	1.3
543.36743	1.4
565.29846	1.2
573.30762	1.5
587.31970	1.4
591.31433	3.7
603.45325	0.9
605.32458	1.2
609.23346	1.9
609.32385	8.0
623.33875	8.7
641.25940	5.0
641.34534	23.7
641.45905	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	641.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01858	5.8
55.05505	28.3
55.71059	1.8
57.03432	19.0
57.07066	2.4
59.04988	2.7
61.02883	2.0
65.03929	3.4
67.05498	73.8
69.03422	20.8
69.07062	25.8
69.53107	5.3
69.53533	10.3
71.04987	12.1
72.08141	5.1
73.02911	4.5
79.05486	47.1
81.03410	100.0
81.07048	93.7
82.03738	3.6
83.04973	36.8
83.08611	31.7
85.02890	23.6
85.06528	8.3
91.05473	48.5
93.07037	72.2
95.04959	32.0
95.08598	31.0
97.02888	15.8
97.06512	12.6
97.10154	8.6
99.04473	9.1
99.08087	4.5
105.04482	2.5
105.07022	28.9
107.04959	12.4
107.08582	39.4
108.08907	2.0
109.02879	14.4
109.06535	9.5
109.10135	13.0
111.04427	13.6
111.08070	17.3
115.05456	4.3
117.06998	14.6
119.04949	3.8
119.08570	25.3
121.06504	6.4
121.10128	27.3
123.04411	2.6
123.07994	2.9
123.11691	13.5
125.09612	6.6
127.03921	9.5
127.07578	2.5
129.05505	10.3
129.06990	15.4
131.08554	23.5
133.06502	3.8
133.10126	21.7
135.08057	6.6
135.11673	12.2
137.05954	2.7
137.09592	7.3
141.06908	2.5
142.07748	4.6
143.08537	5.3
145.10081	9.3
147.04445	4.3
147.08041	5.0
147.11662	25.5
149.09583	7.9
149.13248	24.4
151.11176	4.1
153.12764	3.0
157.10132	14.2
159.11736	13.1
161.13237	3.1
163.11168	6.5
165.09088	53.3
165.12733	5.4
169.09911	2.8
171.11580	2.2
173.11758	2.0
173.13205	1.8
175.11145	14.6
177.12738	6.4
181.12224	4.0
184.07397	3.3
189.09099	2.0
189.11311	2.4
190.63318	1.9
191.10648	4.1
193.12231	41.1
194.12453	2.8
195.11964	2.1
195.13734	13.5
197.13306	2.3
199.14787	2.0
211.13277	56.0
211.15253	3.4
213.12741	2.3
227.12737	6.7
229.14304	5.0
267.15897	42.6
268.16309	2.1
269.17462	70.7
270.17984	1.9
285.16971	15.1
309.27673	4.6
310.23712	1.9
337.16367	2.4
339.17972	3.7
355.17328	3.9
369.24158	2.7
411.20004	4.0
413.21765	5.2
417.26178	2.8
429.21109	19.2
435.27322	6.4
443.27878	4.8
443.34610	2.2
461.28937	92.2
462.29361	3.3
479.23380	3.9
479.30020	62.7
479.36868	3.9
503.29926	3.0
605.32758	4.2
623.34131	75.7
624.34253	3.2
641.34314	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	641.296
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.03931	0.7
55.01866	3.0
55.05513	4.0
55.86117	0.6
57.03421	1.3
57.07072	0.8
62.08405	0.6
67.05499	9.3
69.07050	4.7
71.04959	0.9
79.05483	7.2
81.03427	1.0
81.07042	9.5
83.04968	1.1
83.08619	2.2
91.05463	6.5
93.07027	6.0
93.26474	0.6
95.04965	1.9
95.08592	5.8
97.06535	3.0
97.10148	1.3
105.07023	6.3
107.04954	1.9
107.08562	4.9
109.06512	1.8
109.10143	3.4
111.08089	0.9
111.89066	0.7
113.06006	0.8
117.07005	2.8
119.08574	4.7
121.06525	1.2
121.10139	2.0
123.08057	0.9
125.09634	1.0
129.06995	1.3
131.08562	3.9
133.10107	2.7
135.08034	0.8
135.11667	0.6
143.08543	0.9
145.10114	2.9
147.11702	2.8
149.09593	2.0
149.13263	1.0
151.11159	0.7
155.08522	1.2
157.10133	1.4
159.11714	2.2
161.13152	0.9
163.11163	1.2
169.10109	0.9
171.11687	1.6
173.13301	1.0
179.14294	0.7
181.10124	0.7
185.13194	0.8
197.10843	0.6
199.14697	0.7
205.12251	0.6
209.10588	0.7
210.11424	0.7
223.12386	0.7
224.13025	1.4
225.13838	1.8
227.11572	0.8
227.12791	0.7
237.13875	1.3
238.14674	1.1
239.15532	0.9
251.15504	0.9
257.18942	1.0
261.14063	0.6
270.18594	0.6
275.20087	6.6
291.19507	1.0
304.14737	0.7
318.15930	0.8
327.64804	0.6
331.17783	0.8
332.17676	0.9
333.18149	0.8
338.16916	0.6
344.17789	1.0
348.20703	1.0
349.23734	4.2
384.16998	1.2
389.17557	1.1
390.18134	0.7
391.19092	1.0
392.19873	1.7
393.20746	0.7
402.18570	1.2
403.19272	1.9
404.20386	0.8
405.20917	1.5
406.21356	2.7
407.21899	4.8
412.16684	1.8
415.19205	0.9
416.20016	1.8
417.20859	3.5
418.21661	2.7
419.22321	2.0
420.23364	1.5
421.23737	3.5
422.24405	4.6
426.18311	0.9
429.20944	1.8
430.22302	0.9
431.22992	3.4
432.23294	0.9
433.23972	5.1
434.24637	4.2
435.21729	1.1
444.19019	2.6
445.23898	2.8
446.25107	1.2
446.72342	0.6
447.17761	0.7
447.25436	1.7
459.20819	3.1
460.22647	2.3
461.19250	0.9
462.20404	4.2
463.21271	3.8
472.22650	1.0
473.23294	3.5
474.24182	2.3
475.21085	4.2
476.22076	2.0
477.22739	11.8
478.23160	1.3
485.23486	1.1
486.24588	0.8
487.24869	5.2
489.23087	1.0
491.24243	4.8
503.24265	1.0
505.26205	2.2
506.26627	2.5
515.24341	2.1
518.23260	1.2
519.27844	3.0
532.24652	1.3
535.23718	2.1
543.36884	2.3
545.25433	9.3
546.25964	1.1
547.26984	15.9
549.24982	9.9
550.25726	15.1
563.26190	3.4
564.27380	1.9
565.28021	1.0
577.28003	1.0
579.29742	6.8
591.25885	12.2
605.27515	14.6
609.27020	10.5
623.28534	100.0
623.42755	4.0
624.28552	4.3
626.26935	1.0
641.29425	8.3
641.43872	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	641.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.23111	0.6
55.01865	7.7
55.05506	5.6
57.03426	1.9
67.05495	12.8
69.03423	1.0
69.07059	8.6
71.04987	1.3
71.63104	0.7
76.08294	0.6
79.05482	12.3
81.03410	1.7
81.07045	17.0
83.04970	2.1
83.08602	2.5
85.44192	0.6
91.05469	12.7
93.07029	12.0
95.01337	1.6
95.04971	3.2
95.08597	8.5
97.06517	10.6
97.10156	1.9
105.07014	15.5
105.07673	1.3
107.04940	4.7
107.08578	7.1
109.06518	2.0
109.10132	3.0
111.08060	1.7
113.09641	0.7
117.06997	4.1
119.08581	8.9
120.08074	0.9
121.06514	1.8
121.10133	4.2
123.08039	1.7
123.11707	1.0
125.09624	1.5
128.06198	0.8
129.07002	1.1
131.08533	6.3
133.10107	8.4
135.08025	1.4
135.11674	2.8
137.09605	1.2
139.07576	0.8
143.08553	1.5
145.10080	5.8
147.11652	4.6
149.09601	3.8
149.13269	1.8
151.11172	0.8
155.08530	1.1
157.10078	1.9
159.11673	4.3
161.09583	0.8
161.13234	2.0
162.55791	0.6
163.11177	2.3
169.10185	1.4
171.11633	1.4
173.13281	1.5
177.12781	0.9
179.14323	2.7
185.10823	1.2
187.14674	0.7
188.03479	0.9
195.11676	0.9
197.10768	0.7
197.13264	1.2
208.11365	0.8
209.10788	0.8
211.12408	1.9
212.09598	0.6
222.48024	0.6
223.12425	0.9
224.13045	1.6
225.13922	2.4
227.11951	2.0
235.12146	0.9
237.13866	1.6
238.14679	1.0
239.11787	1.2
239.15453	1.9
240.16264	0.9
249.13916	1.1
251.15512	1.4
253.14056	0.8
257.18985	2.3
272.68018	0.8
275.15427	1.1
275.20035	21.8
276.14786	0.9
277.06079	0.9
277.15628	0.7
281.12772	0.7
290.16495	1.9
291.16840	0.9
291.19681	1.5
292.18109	1.2
293.21112	2.0
298.13818	1.0
300.14932	0.9
301.16193	1.0
304.14523	1.1
304.18005	1.3
305.18863	1.9
307.10580	0.7
313.15561	1.5
316.14600	0.8
318.15887	1.0
319.16980	1.0
321.12451	0.7
324.14621	0.7
329.16055	0.7
330.16370	0.9
331.17465	1.0
331.22772	0.8
332.17529	1.8
334.19330	1.0
344.17444	0.9
346.19458	0.8
349.19662	0.7
349.23611	11.4
349.27496	1.0
354.12222	1.1
360.20697	1.0
365.23267	0.7
369.14700	0.8
373.19156	0.7
374.18677	0.9
375.19534	0.8
379.19034	0.7
384.17026	3.2
386.18756	0.9
387.19632	1.0
390.21823	0.9
391.19110	1.8
392.19574	3.6
393.20474	2.7
403.19119	1.6
404.19977	1.2
405.21103	2.1
406.21567	4.1
407.22150	5.8
407.36948	0.8
408.23102	1.4
412.16541	1.6
415.19580	0.9
416.20053	1.2
417.20966	2.1
418.21924	1.6
419.22238	2.7
420.22720	3.0
421.23724	6.7
422.24194	9.2
426.18079	0.9
427.19241	0.8
429.20743	2.0
431.22284	1.6
433.24243	1.7
434.18045	1.0
434.24371	6.3
435.21808	1.1
444.18600	4.3
445.24213	1.8
449.23422	1.2
459.21735	2.2
460.22522	1.4
461.19357	1.7
462.20471	2.4
463.21078	7.5
473.23239	1.8
473.42334	0.7
475.21439	4.6
476.20792	1.5
477.23141	5.5
487.24927	2.0
489.22656	1.5
491.24387	2.9
494.27008	3.3
495.16638	2.8
495.27441	1.9
505.26132	1.4
508.21835	1.7
517.21997	1.0
519.20667	1.5
520.21161	1.0
523.26752	1.6
532.24530	1.0
534.22546	1.6
535.23370	2.0
543.36780	4.9
545.25415	7.9
547.26880	7.5
549.24872	15.3
550.26019	5.1
559.23071	1.0
561.21222	1.9
563.26373	5.9
564.27283	0.8
565.27911	1.3
576.23743	1.6
579.29932	1.3
581.27136	1.8
583.22290	1.0
591.25940	36.6
592.26520	1.6
593.24603	1.0
595.28851	1.0
605.27563	5.7
609.26965	15.4
623.28522	100.0
623.42834	9.0
624.28711	6.2
626.26898	1.2
641.29639	18.7
641.44348	5.6
642.22217	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2959
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.03935	0.7
55.01856	1.4
55.05513	4.1
56.05791	0.5
57.03411	0.7
57.07070	0.9
65.03905	0.7
67.05496	8.5
69.03411	0.7
69.07070	4.0
69.54200	1.1
69.54610	3.3
71.04985	1.0
79.05477	7.6
81.03413	1.1
81.07051	8.1
82.42657	0.4
83.04955	1.6
83.08598	2.7
83.09686	0.4
85.06525	0.8
86.09659	0.7
91.05463	6.7
93.07026	6.2
95.04951	1.6
95.08585	5.9
97.06519	1.9
97.10155	2.7
98.20729	0.6
105.07022	5.7
107.04963	0.8
107.08566	4.6
109.06509	1.7
109.10141	3.5
117.07025	3.0
119.08561	5.1
121.06473	0.9
121.10115	2.6
123.08038	1.3
123.11706	0.6
125.09620	1.7
128.06244	0.8
129.07004	2.1
131.08530	4.1
133.10112	4.2
135.08008	1.4
135.11682	1.9
137.09639	0.8
137.13217	0.5
143.08585	1.6
145.10139	3.5
147.08018	0.8
147.11678	2.8
149.09563	1.3
149.13312	0.8
152.45132	0.5
155.08549	1.1
157.10146	1.8
159.11592	2.5
161.13257	1.9
163.11150	0.9
163.14906	0.5
167.10660	0.6
169.10088	1.0
171.11703	2.0
173.11847	0.6
173.13261	1.7
175.14833	0.8
183.11726	1.5
184.07336	1.5
185.07768	0.6
185.13301	0.6
193.12138	0.6
197.13304	0.8
199.14812	0.7
209.13226	0.7
211.14873	0.8
215.14267	0.6
223.13298	0.9
227.12729	0.7
235.14690	0.6
239.17909	0.8
241.19609	1.3
257.19012	1.2
259.20636	2.3
273.18533	0.9
275.20041	4.9
289.18030	0.9
291.19562	4.2
304.17850	0.8
333.15234	0.7
333.24359	1.9
349.23611	1.5
365.23218	1.9
378.18405	0.6
389.17703	0.9
391.19284	1.0
393.20715	1.2
401.17578	0.7
402.18863	0.9
403.19052	2.9
404.19992	2.1
405.20758	1.3
407.22147	0.7
415.19232	2.1
416.20044	1.9
417.21030	3.7
418.21591	2.3
419.22382	1.1
421.23907	1.9
424.16974	0.6
429.20813	3.3
430.21692	1.7
431.22852	3.3
432.23044	0.8
433.18561	0.8
433.24039	6.2
434.24628	0.7
435.21698	1.5
444.23224	2.4
445.24899	3.8
446.24615	1.2
447.17413	0.7
447.25510	1.5
448.18655	1.1
449.23242	1.8
458.20654	0.9
459.21152	3.0
460.22537	2.2
461.19571	2.0
462.19977	3.9
463.21298	4.5
472.22336	1.8
473.23529	3.7
474.24399	2.5
475.21033	4.4
476.22177	2.6
477.22778	15.1
485.23605	1.5
486.23474	0.8
487.24872	4.8
489.23032	1.7
490.23376	0.7
491.24615	4.2
494.26834	0.6
503.24509	1.4
505.25964	2.7
506.26639	1.8
513.35651	0.6
515.24286	1.8
517.22070	0.8
519.27521	2.7
521.21954	0.7
525.35944	0.7
529.35529	0.7
531.23749	0.7
532.24469	0.8
534.23016	0.7
535.24109	1.9
543.36621	2.3
545.25403	9.6
546.25934	1.7
547.26959	13.8
549.24969	11.0
550.25659	13.5
551.25732	0.9
561.21649	0.7
563.26331	2.8
564.27057	2.7
566.24786	1.2
577.28259	1.8
579.29688	7.3
591.25940	12.7
605.27570	20.3
605.42365	1.5
606.27393	0.7
623.28564	100.0
623.43011	6.2
624.28650	3.0
626.27075	1.1
641.30017	2.4
641.44183	5.6
642.24512	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2951
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03952	0.1
55.05545	0.5
57.03453	0.2
62.72779	0.1
67.05495	1.0
69.07088	0.4
70.33491	0.4
70.33907	0.5
79.05478	1.2
81.03467	0.4
81.07037	1.4
83.04990	0.3
83.08653	0.3
91.05520	0.6
93.07025	0.9
95.04993	0.3
95.08647	0.5
97.06571	0.5
97.10152	0.2
98.98489	0.2
103.62482	0.2
105.06995	0.7
107.04977	0.2
107.08581	0.8
109.06558	0.2
109.10190	0.4
111.08121	0.2
113.48471	0.2
117.07055	0.5
119.08645	0.7
121.10228	0.3
123.11742	0.2
125.09660	0.1
129.07120	0.2
131.08606	0.4
133.10204	0.6
135.11774	0.2
143.08635	0.2
145.10172	0.4
147.11772	0.2
149.09666	0.4
149.19899	0.2
157.10193	0.2
159.11714	0.3
166.99821	0.1
171.11649	0.2
175.11247	0.2
179.14439	0.3
189.11259	0.1
197.10831	0.2
211.12511	0.2
225.10262	0.2
236.99300	0.1
239.11703	0.2
275.20007	0.9
281.01938	0.1
300.11374	0.2
314.13040	0.2
349.23840	0.5
377.17468	0.7
378.18335	0.4
379.19189	0.9
390.19067	0.2
391.14816	0.2
391.19449	1.1
392.20038	0.5
393.20853	1.5
394.21674	0.3
395.22577	0.3
404.20013	0.4
405.16492	2.0
405.20767	0.5
406.17090	0.9
407.18494	0.5
407.22598	3.8
408.23129	0.5
409.23819	0.2
418.17984	0.5
419.18326	2.6
420.19159	2.0
421.20187	4.4
422.20819	0.5
423.21805	1.2
432.19400	0.4
433.20212	4.0
434.21149	3.2
435.21814	6.5
436.22589	1.1
445.20047	0.2
446.21048	0.4
447.22305	1.6
448.18475	0.5
448.22824	0.5
449.19479	7.7
450.20410	0.6
451.21222	0.4
453.22736	0.2
461.18652	0.3
461.23553	0.5
462.20380	0.6
463.20917	2.9
464.21869	1.8
465.13464	0.2
465.18985	0.6
465.23953	0.3
466.23871	0.2
467.24457	1.0
475.21335	0.4
476.22345	0.3
477.22775	0.9
479.19955	1.2
480.21521	0.5
481.21893	1.6
489.22729	0.5
491.24548	0.3
492.21201	0.3
493.21545	2.2
494.22818	2.8
495.23621	2.9
496.24603	0.4
505.22137	0.2
507.23962	2.0
508.24402	0.3
509.25433	0.6
520.24890	0.2
521.25562	10.5
522.26117	0.4
523.26794	0.6
526.25812	0.4
535.22699	0.8
537.25464	0.2
539.22034	1.1
543.36603	1.1
549.25183	0.9
550.25409	0.3
551.26355	0.4
552.23724	0.2
553.25061	0.7
563.26605	1.2
565.24634	0.2
567.25867	0.4
580.26721	0.3
581.27466	22.1
582.27850	0.9
595.25238	0.4
609.26782	0.6
610.27753	0.3
613.29919	0.5
623.28125	0.2
623.42938	0.4
641.29504	100.0
642.29803	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	641.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01857	1.4
55.05514	2.7
57.03413	1.0
59.04930	0.4
61.02925	1.1
65.03935	1.1
66.70540	0.5
67.05495	7.4
69.03423	1.5
69.07055	2.6
69.41090	4.5
71.04982	1.2
73.02908	0.6
79.05480	6.2
80.04999	1.0
81.03401	4.0
81.05816	0.7
81.07047	8.8
82.06563	0.9
83.04970	1.9
83.06065	0.6
83.08607	1.5
84.08107	0.7
84.75320	0.5
85.02889	2.0
85.06547	0.9
91.03943	1.1
91.05467	6.5
93.05803	0.9
93.07028	9.3
94.06561	7.9
95.04948	3.5
95.07336	5.5
95.08588	4.6
96.08119	11.5
97.02865	1.1
97.06529	2.8
97.10174	0.9
103.05466	1.3
105.07015	4.1
107.04951	1.4
107.08575	4.5
108.04462	0.6
108.08105	10.4
108.08853	0.7
109.02911	0.7
109.06520	1.7
109.08900	1.1
109.10121	3.1
110.07149	1.4
110.08901	0.9
110.09664	19.4
111.08086	0.7
117.06976	1.3
118.06540	0.9
119.08567	3.1
120.04475	1.0
120.08090	12.4
120.08923	0.9
121.06524	1.2
121.10139	2.9
122.06007	7.4
123.08083	0.6
123.11703	0.8
124.07578	1.8
125.06045	1.0
125.09612	1.0
127.03914	1.1
127.11202	0.5
129.06985	1.2
131.08565	2.1
133.06448	0.5
133.10103	2.7
134.05998	0.8
135.08081	0.6
135.11714	1.4
136.07556	7.8
137.09621	0.9
138.09123	21.6
143.08560	1.1
145.10126	2.3
146.06004	0.8
147.08078	0.5
147.11679	1.9
148.07552	4.1
149.09613	1.6
149.13258	0.7
151.11198	0.6
157.10127	1.2
159.11661	1.8
161.13258	0.6
165.09105	0.7
165.12796	0.6
166.08620	21.7
171.02887	0.6
171.11664	1.0
172.07544	1.0
173.13278	0.9
174.05403	0.6
175.11241	0.9
197.07021	0.8
198.07869	0.6
206.08287	0.6
207.09169	0.7
211.08629	4.7
211.13280	1.1
212.09409	0.8
213.72565	0.5
219.09140	0.9
220.09972	0.8
221.10695	2.9
223.08600	0.9
225.10213	1.2
233.10703	0.6
234.07753	1.0
235.08723	1.6
236.09460	1.2
237.10243	1.6
239.11671	1.0
247.08595	3.9
248.09526	1.9
249.10199	19.2
250.10962	1.6
251.08218	0.7
251.11835	1.9
254.05968	0.7
257.18948	0.7
261.10287	2.7
262.11060	0.6
263.11826	2.3
265.09708	2.6
267.15964	0.8
269.17520	0.7
275.07977	2.5
275.20038	2.4
277.09680	14.6
278.10422	1.5
279.11279	0.8
283.10693	0.7
284.17209	0.6
289.09708	1.2
291.11295	1.9
291.19434	0.9
293.09229	1.4
295.10693	1.1
296.11633	0.6
297.13010	0.6
300.11652	1.1
303.07721	1.3
309.12338	6.5
310.13141	1.2
311.10999	0.8
312.11487	1.4
313.12756	0.7
314.12921	1.5
315.14587	0.6
317.12018	0.7
320.11798	0.6
321.08783	1.3
321.12656	1.5
322.13474	2.1
323.10669	0.7
323.14420	2.5
324.11862	1.5
324.15317	1.2
325.12436	2.2
326.12872	4.7
327.13782	2.2
328.11011	1.2
328.14508	2.7
329.11630	0.8
330.12387	0.7
336.14853	2.5
337.12262	0.8
337.15985	1.4
338.12906	1.7
338.16565	3.2
339.10236	0.7
339.14279	2.5
340.10831	4.5
340.14505	6.1
341.11688	2.4
341.15201	2.7
342.12354	3.7
342.16153	2.8
343.13101	1.2
344.13931	1.2
349.12067	1.2
349.23718	1.1
350.12863	2.1
351.14050	1.3
352.10580	1.0
352.15054	2.5
353.11670	3.4
354.12399	10.2
354.16110	2.5
355.13040	6.8
355.16663	0.7
356.13928	6.5
356.17642	2.3
357.14798	1.5
358.15778	1.3
364.14429	7.5
365.15201	2.2
366.12253	2.9
366.16129	5.3
367.13367	5.3
368.10159	1.9
368.13989	17.8
369.10437	1.1
369.14642	9.5
370.11856	0.6
370.15567	4.4
371.12616	0.9
378.12378	0.7
379.12985	1.1
380.09872	0.9
380.14090	3.4
381.11066	1.6
382.11667	7.8
382.15613	11.3
383.11734	2.7
383.16803	4.0
384.13443	1.0
384.17120	13.4
385.13873	1.1
386.14978	1.6
388.12625	1.1
392.13873	4.1
393.14578	1.5
394.11279	1.0
394.15952	2.8
395.12589	3.2
396.13361	11.6
397.14063	4.8
398.15216	1.0
398.18747	13.4
400.12357	0.7
400.17035	2.4
401.17584	1.1
402.14154	1.0
403.15079	1.0
408.13452	2.4
410.14902	11.6
411.15689	2.0
412.16531	12.5
413.13834	2.2
414.14355	4.3
415.15121	2.5
416.15958	1.0
420.13580	3.7
426.13788	5.3
428.15958	7.8
429.16849	1.8
430.17816	1.1
438.14429	40.2
439.14542	2.4
442.17664	3.5
444.19687	11.0
452.15927	1.3
456.15494	66.5
457.15826	2.4
458.17081	10.5
460.18616	0.7
461.29056	1.1
461.36234	0.6
470.17111	2.2
476.18100	46.3
477.18552	1.7
479.30212	1.8
488.18152	28.9
489.18488	1.6
503.20190	0.8
506.19321	1.1
521.21997	1.0
535.23102	0.7
551.26355	0.6
563.22699	3.0
581.23718	1.2
591.22290	10.2
592.22186	1.0
595.25134	4.1
609.23358	30.3
610.23712	1.2
613.26453	2.8
623.24933	28.4
623.41968	1.2
624.25085	1.6
641.25946	100.0
642.26422	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	640.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76155	0.4
53.03934	0.9
55.01862	2.6
55.05503	18.2
57.03429	3.6
57.07069	10.3
59.04992	0.6
65.03926	0.8
67.05496	16.2
69.03429	2.4
69.07063	7.0
69.07412	0.9
71.04983	0.7
71.08624	8.0
71.62768	0.6
79.05482	15.1
81.07049	15.4
83.04992	2.2
83.08606	12.7
85.06534	1.1
85.10176	4.5
91.05470	7.6
93.07029	7.5
95.04967	1.0
95.08598	9.5
97.06495	0.9
97.10158	26.6
97.41499	0.4
105.07020	8.3
107.04944	0.9
107.08582	24.7
109.06504	2.0
109.10146	6.8
109.83727	0.5
111.08049	1.8
117.06995	3.3
119.08562	3.5
121.10101	1.8
123.11684	1.3
125.09615	24.7
131.08548	2.6
133.10129	4.2
133.36473	0.4
135.08020	3.5
135.11653	1.0
143.08443	0.6
143.10655	1.4
145.10098	5.9
147.11678	2.9
149.09596	2.0
149.13356	0.5
153.09068	2.0
153.12744	0.7
155.08492	0.5
157.10115	0.6
158.67606	0.5
159.11656	1.5
161.13264	1.0
169.10112	0.7
171.10130	1.5
171.11568	0.9
173.11806	0.7
173.13228	0.7
177.12698	0.4
181.12091	0.6
183.11702	0.6
185.13269	1.0
189.11198	16.0
197.13173	0.5
201.16460	0.5
219.17419	0.9
227.12756	100.0
228.13049	0.8
229.19395	0.7
239.17857	1.5
239.23698	1.1
257.18973	5.4
275.20013	22.3
313.27335	34.7
331.22540	4.2
349.23694	22.9
351.77075	0.5
354.96631	0.5
483.36765	9.1
493.38403	0.5
505.39063	0.9
569.45416	1.4
587.46600	25.7
588.46710	0.6
605.47174	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01862	0.3
55.05498	0.3
57.03427	0.6
59.59710	0.1
62.05679	0.1
63.02354	0.2
65.03917	0.9
67.01855	1.6
67.05491	0.8
68.99787	0.7
69.03418	1.4
69.07071	0.3
69.65251	0.4
69.65659	0.9
71.04981	0.4
73.02917	0.2
74.56727	0.2
77.03912	0.4
79.00380	0.1
79.05492	0.8
79.53043	0.1
80.06272	0.2
81.03406	4.4
81.07040	1.2
83.04953	0.4
83.08601	0.2
85.02885	1.9
85.06039	0.1
85.06540	0.5
85.59398	0.1
89.03915	0.5
91.05466	15.7
93.07031	0.6
95.04964	0.8
95.08585	0.5
97.02876	0.7
97.06510	0.3
97.10153	0.3
98.21416	0.3
99.04433	0.6
99.08032	0.2
103.05429	0.8
105.03376	0.4
105.07006	1.0
107.04971	1.0
107.08580	0.6
108.05770	0.2
109.02856	1.7
109.06512	0.5
109.10137	0.7
111.04404	0.3
111.08065	0.2
115.05479	0.2
117.07035	0.3
118.04179	0.5
119.04927	26.2
119.08573	0.5
120.05266	0.4
121.02825	0.8
121.06528	0.9
121.10149	0.5
123.04415	0.7
123.08057	0.4
123.11739	0.3
125.02322	0.3
125.05983	0.5
125.09591	0.3
127.03899	0.6
127.11141	0.2
129.01823	0.4
129.03362	0.6
129.06969	0.2
131.04878	0.3
131.08519	0.5
132.02077	1.0
133.10072	0.8
135.04411	0.5
135.08070	0.3
135.11699	0.3
136.05205	0.4
137.05939	0.3
137.09587	0.6
143.08472	0.2
145.02811	0.5
145.06570	0.2
145.10127	0.4
147.04390	24.7
147.11667	0.3
148.04738	0.5
149.02293	1.0
149.05988	0.2
149.09627	0.3
149.13129	0.2
151.03896	0.5
151.07455	0.2
153.01804	15.1
153.05359	1.1
154.02104	0.3
155.07066	0.3
155.08492	0.2
157.03944	2.0
159.11684	0.3
161.05980	0.2
161.09622	0.4
162.03107	0.3
163.03908	0.5
163.07440	0.2
163.11176	0.5
164.04713	0.8
165.01802	0.5
165.05473	0.2
165.09088	4.3
165.10464	0.2
165.26836	0.2
167.03297	0.2
167.07027	0.8
171.02869	11.9
171.11687	0.2
174.03201	0.2
175.03880	42.5
176.04253	0.9
177.01823	0.6
177.05418	0.7
177.09106	0.3
179.03406	0.3
179.07005	1.9
179.10623	0.3
181.04918	1.1
183.02934	0.3
189.05444	0.4
191.03455	0.2
191.07031	0.2
192.04118	0.9
195.02864	4.1
205.01299	2.5
205.12151	0.2
207.06494	100.0
208.06854	2.2
219.02995	0.2
225.07458	0.4
261.03867	0.5
271.05969	0.4
273.07541	11.4
274.07858	0.4
275.05392	0.2
285.07681	0.3
290.40723	0.2
297.07391	0.2
315.08594	2.0
317.06491	0.6
325.07022	0.8
327.15790	0.7
351.10724	6.7
351.15039	0.4
359.07440	0.3
363.08429	0.2
369.07211	0.2
369.11752	5.0
381.09546	0.5
437.12122	0.4
461.19534	0.3
461.28522	0.2
479.13235	0.5
489.37122	0.2
641.23322	0.4
641.34052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97514	0.7
53.03921	2.9
53.70584	0.7
55.01848	3.0
55.05260	1.0
55.05500	15.9
57.03179	1.2
57.03432	12.7
57.07064	41.1
65.03923	1.4
67.05490	47.1
69.03406	1.7
69.07056	22.7
71.04968	2.2
71.08617	28.3
71.25092	0.8
71.44524	1.5
75.04481	1.1
77.03932	1.1
79.05476	29.3
81.03385	3.3
81.07040	55.0
83.04963	7.0
83.08601	16.6
83.09089	0.9
85.06506	2.7
85.10161	15.4
87.08560	0.8
89.05995	1.4
91.05463	29.4
91.11633	0.8
93.07027	32.8
93.07620	1.6
95.04955	7.5
95.08586	38.2
97.06508	7.8
97.10147	8.6
99.08089	1.7
99.11712	1.2
105.07014	21.8
107.04945	3.9
107.08572	18.6
109.06492	4.0
109.10132	14.5
111.08055	2.9
111.11686	1.7
115.05403	1.2
117.06989	10.1
119.08558	17.1
120.43340	0.7
120.97055	0.7
121.06498	2.4
121.10109	8.4
123.08057	2.8
123.11683	6.3
125.09571	1.1
125.13262	1.2
129.06989	3.4
131.08530	12.1
133.10103	14.8
135.08063	4.6
135.11655	11.3
137.09602	2.1
137.13232	1.7
139.11243	1.0
143.08438	1.8
145.10103	9.7
147.11655	7.6
149.09593	6.4
149.13226	6.1
151.11169	1.4
155.08533	0.9
157.10138	2.4
159.11658	9.9
161.13181	1.7
163.11191	4.9
165.12788	1.0
169.10176	1.1
171.11665	2.1
173.13252	3.2
175.11249	1.0
175.14891	0.9
176.06624	0.8
177.12769	2.2
179.14284	1.3
180.77779	0.8
181.12192	1.8
183.11725	1.7
189.12723	0.9
189.16443	1.2
195.13799	4.5
197.13338	1.0
213.14680	1.1
217.15862	2.5
229.14345	1.3
231.61324	0.8
235.16844	0.9
239.17981	2.1
239.23605	3.6
247.20526	2.0
251.16266	1.8
255.15851	14.3
257.18875	5.7
257.24695	1.3
267.15958	1.6
269.17429	19.8
275.19998	26.5
291.19403	2.9
293.21014	1.5
309.20605	1.4
313.27298	74.9
314.27661	1.0
331.22644	3.0
341.26926	1.1
349.23682	18.8
367.24759	2.7
467.36899	1.4
487.46091	0.8
491.40509	0.8
493.38766	20.7
505.38049	0.9
507.40372	100.0
508.40820	3.2
547.43390	3.5
581.22797	1.6
587.46588	14.3
605.47369	4.9
641.25092	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	639.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01864	4.6
55.05503	16.1
57.03431	10.8
57.03721	0.6
57.07073	0.6
59.04992	0.7
61.02926	0.6
65.03931	2.0
67.05493	21.5
67.16307	0.5
69.03064	0.9
69.03416	13.6
69.07054	6.9
69.50167	3.7
70.51208	0.4
71.01334	1.3
71.04979	6.5
71.36975	0.5
72.29158	0.5
73.02933	0.8
77.03896	0.5
79.05480	23.6
80.05831	0.5
81.03405	100.0
81.07045	28.3
82.03732	1.4
83.04465	0.9
83.04969	19.6
83.08606	21.2
85.02891	24.0
85.06524	2.6
86.09724	0.4
87.04471	1.0
91.05465	29.6
92.05798	0.7
93.07027	19.5
95.04954	27.7
95.08589	9.8
97.02878	14.1
97.06524	5.0
97.10156	6.4
99.04441	3.7
99.08078	1.6
101.02388	0.8
101.05996	0.6
103.03945	0.7
103.05457	0.5
105.07015	22.5
107.04945	9.8
107.08585	9.7
109.02864	16.3
109.06512	6.4
109.10135	5.0
111.04423	12.8
111.08060	10.0
112.08366	0.5
113.06001	1.7
115.03938	0.6
115.05444	1.5
116.06260	0.6
117.07004	4.2
119.04936	1.9
119.08565	17.9
121.02887	0.8
121.06489	4.1
121.10120	9.9
123.04410	2.6
123.08034	2.9
123.11687	3.2
125.05970	1.3
125.09603	4.6
127.03899	7.8
128.06180	0.9
129.05472	1.8
129.06978	11.3
131.04912	1.4
131.08554	11.5
133.06487	4.1
133.10115	10.8
133.11078	0.9
135.04451	0.8
135.08043	2.1
135.11662	2.9
137.02211	0.4
137.05962	2.5
137.09608	2.5
141.07010	0.6
142.07748	2.3
143.08554	1.8
145.06496	2.1
145.10101	4.6
147.04395	1.9
147.07999	4.4
147.11659	16.6
149.05968	1.4
149.09596	6.8
151.07516	0.9
151.11194	1.3
153.09070	0.5
153.12714	3.0
155.08511	1.1
157.06506	1.0
157.10109	14.0
159.08034	0.6
159.11652	1.0
161.05927	1.1
161.09619	1.4
163.07527	0.5
163.11157	5.1
165.05522	0.8
165.09128	1.3
165.12709	4.8
167.07074	0.7
169.10185	0.7
171.08035	0.9
171.11676	1.1
173.04388	1.4
173.05919	0.6
173.09691	1.6
175.11163	13.7
177.05608	0.5
177.12712	0.6
181.10269	0.5
181.12233	2.6
183.08070	0.5
183.11674	0.8
185.05994	0.4
185.09625	0.6
187.07544	0.6
187.11237	0.6
189.05466	0.9
189.11208	1.4
189.12762	1.1
191.10701	3.3
193.12209	37.9
194.12633	1.3
195.11797	0.5
199.11264	0.7
203.14249	0.5
207.06554	0.6
207.13731	0.8
209.11719	1.2
209.13423	0.7
211.13257	57.2
212.13571	2.3
213.12798	0.8
217.12256	0.9
219.13722	0.6
223.13319	0.6
227.12686	4.8
229.14369	1.9
231.13951	0.6
235.13310	1.4
249.14891	2.1
255.13815	1.0
259.13428	1.1
261.14938	0.6
267.15872	25.4
268.16354	1.3
271.06033	1.1
273.14835	3.2
277.14383	1.0
283.15625	2.1
285.16943	13.5
287.05548	1.9
289.14230	0.8
291.15900	1.1
301.14169	4.5
309.16977	1.5
313.16257	0.6
319.15405	3.2
326.14871	0.5
337.16498	3.6
355.17484	6.3
367.22684	2.0
375.18088	1.6
385.23703	4.3
393.18942	3.2
403.24857	1.3
411.19958	6.3
411.24466	0.6
429.21228	5.1
441.26535	0.7
459.27335	10.8
460.27945	1.1
477.28391	13.6
478.29016	0.8
495.29462	15.0
496.29941	1.5
501.28537	0.6
511.28479	1.3
519.29559	1.0
543.29205	1.1
555.29553	0.7
561.30597	1.7
562.18024	0.6
567.29901	0.7
573.30664	1.5
585.30634	3.1
591.32074	0.6
603.31628	4.2
604.31873	0.7
621.32562	14.9
622.32751	1.1
639.33649	54.5
640.34094	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	639.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05395	1.0
55.05621	1.1
67.05324	2.1
67.05713	1.7
69.06908	1.6
69.07241	1.1
71.39227	0.6
71.62759	1.3
74.84169	0.8
79.05278	2.4
79.05766	1.5
81.06828	3.3
81.07348	1.2
91.05250	2.1
91.05782	0.8
93.06860	1.6
93.07365	0.8
95.04742	1.1
95.08440	1.2
97.06325	1.4
105.06765	3.4
107.08387	1.8
107.09034	0.9
107.40998	0.8
109.09958	1.2
117.06806	1.2
119.08374	1.8
121.63646	0.7
131.08372	1.4
133.09924	1.7
133.10831	0.8
138.21349	0.7
145.09756	0.8
166.07500	0.7
168.09087	0.8
184.07085	1.5
197.10359	0.7
205.68477	0.7
209.10445	1.7
211.12106	1.2
221.10287	1.2
222.11209	1.1
223.11954	2.7
223.24286	0.7
224.12823	0.9
225.13533	1.0
235.11913	2.3
236.12674	0.8
237.13512	3.1
238.14293	3.1
239.15257	1.7
247.12183	0.8
249.13593	1.3
250.14189	1.1
251.15138	2.9
252.15932	1.2
253.16444	0.9
261.13559	2.0
273.17972	0.8
275.19791	2.0
277.13092	1.2
279.14648	1.9
291.19339	1.7
299.09705	1.3
301.13431	1.0
312.14551	0.9
314.16278	0.9
364.17471	1.1
365.17670	0.9
378.19083	0.9
379.19272	1.5
393.16736	1.7
406.17896	1.0
407.18552	2.8
409.20029	1.7
410.20914	2.1
417.16434	1.2
420.15567	0.9
421.20096	1.4
422.20822	2.4
423.21259	1.9
424.20004	0.7
431.17953	1.1
434.17380	0.8
435.17212	1.4
445.19830	1.1
446.20416	0.8
447.21225	0.9
449.19431	2.3
450.20135	1.6
451.21179	1.7
461.19437	1.2
463.21341	1.0
467.36551	1.1
468.21109	1.1
474.95779	1.0
475.21115	1.1
478.19748	1.6
479.20599	2.1
481.25879	1.4
482.22321	1.4
493.21625	1.3
494.23569	2.3
495.24084	1.7
505.21667	1.2
509.25571	16.0
510.25522	1.4
519.24023	2.0
521.21912	1.1
522.22900	1.3
526.26367	0.9
536.24292	1.1
537.24933	13.8
538.24963	1.3
541.28149	0.9
547.23236	1.0
551.26819	5.0
552.24426	1.0
561.24683	2.3
565.24359	10.9
567.29547	2.0
569.27612	12.7
579.25751	4.2
595.29205	1.6
596.26331	3.1
597.26990	100.0
598.27515	6.0
607.25507	6.5
611.28522	13.6
612.29095	0.9
621.26697	5.6
622.27393	2.1
639.27832	45.9
639.41699	4.1
640.28278	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	639.2804
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03931	0.5
55.01862	1.1
55.05502	2.2
57.03418	0.5
57.07060	0.4
67.05496	4.5
69.03409	0.5
69.07057	2.5
71.62978	0.6
79.05485	4.8
81.03397	1.2
81.07047	5.5
83.04972	1.4
83.08615	1.1
85.06509	0.4
91.05466	5.3
93.07027	4.6
95.01334	0.3
95.04958	2.0
95.08598	3.4
97.06533	0.9
97.10173	0.6
105.07015	4.0
107.04955	1.4
107.08587	2.8
109.06519	0.8
109.10159	1.2
111.08082	0.4
117.07019	1.3
119.08551	2.6
121.06551	0.5
121.10155	1.2
125.09550	0.4
128.90698	0.3
129.06985	0.6
131.08553	1.7
133.06468	0.6
133.10103	2.3
135.08028	0.4
135.11693	0.9
135.76973	0.3
143.08603	1.0
145.10100	1.6
147.08054	0.4
147.11635	1.6
149.09628	0.5
149.13217	0.5
151.11177	0.3
153.09090	0.3
156.68872	0.3
157.10143	0.5
159.11650	0.8
161.09631	0.6
161.13292	0.9
163.11151	0.6
169.10172	0.4
171.11716	0.9
173.13261	0.5
177.12711	0.4
179.14307	0.6
185.13213	0.3
203.14349	0.3
207.13812	0.5
223.12268	0.5
238.14720	0.7
243.21117	0.5
257.19012	0.6
265.59363	0.3
273.18527	1.2
275.20035	1.7
281.17508	1.1
291.19705	1.0
296.58865	0.4
342.16318	0.4
347.22180	0.4
377.17841	0.5
378.18677	0.5
379.19321	0.6
390.18857	0.6
391.19522	1.8
392.20001	0.9
393.20709	1.3
403.19348	0.5
404.20474	0.5
405.16248	2.0
405.20892	1.4
406.17245	0.6
406.21976	0.5
407.17752	0.6
407.22662	4.1
408.23416	0.7
416.19839	0.4
418.17255	1.7
419.18280	3.8
420.18808	1.5
420.24121	0.4
421.20270	3.3
422.20944	0.8
423.21402	0.6
432.19229	0.6
433.20206	10.8
434.21152	5.1
435.22055	5.0
436.22455	0.9
437.23367	0.5
445.20224	0.7
446.21243	0.5
447.16968	0.5
447.22940	1.4
448.22778	0.5
449.19601	6.6
450.20233	1.1
451.21133	0.8
460.22806	0.6
461.18683	0.5
461.23978	0.6
462.20166	0.7
463.21527	2.5
464.22028	3.0
465.23196	1.9
466.23730	0.7
473.23727	1.6
475.21274	0.5
477.18292	0.6
478.19324	0.5
479.20755	1.9
479.25696	0.5
488.22391	0.5
491.20956	1.2
492.21368	4.0
493.22028	4.1
494.23077	0.6
501.22934	0.9
503.24377	1.0
505.22470	2.6
506.23059	0.7
507.23962	3.5
508.24463	0.4
509.25729	0.6
519.24414	1.4
520.24878	1.5
521.25665	8.2
522.25757	1.0
523.26837	0.9
531.24335	0.6
533.22247	0.9
535.23511	0.6
537.25372	0.9
541.38959	3.5
547.23145	0.8
548.24078	1.0
551.27032	1.6
564.23584	0.6
565.24432	2.0
566.25671	0.4
575.22620	2.1
579.25977	20.9
580.26636	3.4
581.27472	2.0
597.26996	1.8
607.25409	12.2
608.25299	1.5
611.28217	0.7
621.26813	0.6
621.41644	0.7
639.28033	100.0
639.40717	3.9
640.28339	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	639.2799
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
54.69088	0.2
55.01859	0.4
55.05512	1.0
57.03412	0.3
63.92923	0.2
65.03928	0.2
65.08199	0.2
67.05496	1.9
69.03411	0.5
69.07054	1.3
69.51115	0.1
69.97939	1.0
79.05473	1.7
81.03402	0.5
81.07047	2.0
83.04977	0.4
83.08617	0.3
85.06556	0.2
91.05465	1.8
93.07027	1.2
95.04976	0.8
95.08589	1.1
97.02855	0.2
97.06516	0.6
97.10153	0.5
105.07008	1.7
107.04945	0.4
107.08589	1.1
109.06524	0.2
109.10150	0.7
117.06998	0.5
119.08572	0.9
120.32518	0.2
121.06489	0.3
121.10123	0.7
129.07002	0.5
130.46115	0.2
131.08548	0.7
133.06459	0.2
133.10117	0.9
135.08028	0.2
143.08530	0.4
145.10129	0.7
145.73840	0.2
146.05936	0.2
147.08038	0.2
147.11696	0.6
149.09654	0.3
155.08519	0.3
157.10074	0.3
159.11700	0.5
159.59279	0.2
161.13347	0.2
163.11189	0.5
169.10144	0.2
171.11700	0.2
175.11052	0.2
179.14264	0.2
183.09244	0.2
183.11720	0.2
189.11189	0.2
197.13161	0.3
204.06583	0.4
209.10623	0.2
213.10173	0.2
223.13289	0.2
225.10265	0.2
227.11906	0.4
232.52588	0.2
235.08447	0.2
237.10210	0.4
239.11795	0.2
241.13371	0.2
249.10226	0.3
250.10771	0.2
251.08112	0.3
251.11850	0.2
253.13506	0.2
257.18939	0.4
269.12933	0.2
273.18527	0.6
275.11774	0.2
275.20023	0.9
291.19434	1.4
302.12967	0.2
309.12408	0.3
311.13855	0.5
314.13034	0.3
326.12878	0.3
328.14423	0.4
330.16153	0.2
340.14539	0.2
341.15207	0.2
342.16003	0.4
347.22159	0.2
365.17612	0.2
377.17618	0.2
379.19485	0.4
380.17639	0.2
384.16873	0.2
389.17667	0.3
391.15726	0.6
392.15936	0.4
393.16327	0.8
393.20767	0.6
394.17355	0.2
394.22043	0.3
400.16486	0.3
405.16739	0.9
406.17917	0.7
407.18573	1.9
407.22458	0.2
408.18927	0.4
417.17267	0.6
418.17929	0.3
419.14609	0.7
419.19519	1.1
420.15082	0.5
420.20166	1.1
421.20413	5.4
422.20908	1.5
423.21710	0.8
431.18539	0.6
432.19333	0.8
433.16013	0.7
433.21271	1.3
434.16473	1.3
435.17059	2.1
435.22461	0.9
436.22797	2.3
437.23590	0.4
445.16083	0.4
446.16791	0.3
447.17606	0.7
447.22034	0.9
448.18576	2.5
449.19589	8.5
450.20279	2.8
451.21246	0.6
459.17368	0.8
460.18661	0.4
461.19955	1.5
462.20535	0.9
463.21585	5.5
464.22104	5.3
465.23260	1.0
466.19156	0.2
473.20065	0.5
474.20334	1.0
475.21255	2.1
476.18579	0.6
477.18799	5.0
478.19647	1.9
479.20300	0.9
487.20712	0.3
489.18802	0.3
491.19952	1.1
492.21341	1.2
493.22672	1.1
495.24365	0.8
503.20316	0.3
504.21637	0.2
505.22940	0.8
506.23398	0.3
507.24826	1.0
508.24637	0.3
509.25537	0.5
519.24017	0.3
521.21497	0.9
523.22913	2.1
532.20905	0.2
533.20770	0.9
535.23596	2.8
536.23810	1.4
537.21851	0.8
547.23370	0.3
549.21704	0.5
550.25879	1.5
551.26550	3.0
552.23798	0.2
553.24603	0.3
561.24854	3.8
562.24945	0.6
563.23145	0.6
564.23572	4.6
565.24231	2.4
567.25903	0.3
578.25220	0.3
579.25916	5.7
580.26471	0.3
581.24060	0.6
592.23077	0.5
593.27075	0.3
595.25525	2.8
596.26019	1.3
597.26703	0.5
607.25165	0.8
610.28046	0.8
611.28253	0.3
621.26984	3.0
621.41284	0.4
622.26288	0.4
624.25690	4.3
639.27997	100.0
640.28363	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	639.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01866	1.2
55.05482	2.5
57.03407	1.0
67.05487	8.2
69.07039	1.9
71.08624	1.0
71.38127	0.8
71.41558	0.9
71.62916	0.9
75.70141	0.8
79.05470	5.0
81.07045	6.2
83.04964	1.4
83.08608	1.1
91.05446	2.9
93.07029	4.7
95.04921	1.7
95.08591	5.6
97.01801	0.8
97.10155	1.3
105.06999	4.5
107.08559	2.8
109.10114	4.4
117.07029	1.9
119.08552	2.3
121.10128	2.0
133.10098	2.5
145.10104	1.0
147.11678	2.0
154.40196	0.9
190.68365	0.8
238.63911	0.9
275.19980	2.4
280.63861	0.9
348.14471	0.8
351.17047	1.4
375.16043	1.3
376.17349	1.2
377.17511	4.0
388.17767	1.0
389.17865	4.4
390.18161	4.1
391.19113	13.2
392.19864	3.5
393.21179	1.5
403.19247	2.8
404.19882	4.3
405.20673	17.0
406.21381	11.4
417.20657	2.4
418.21835	1.3
419.22610	6.8
420.23120	12.3
421.23743	8.6
424.22470	2.3
430.17554	1.2
431.18219	1.8
433.23776	3.1
434.25204	4.5
438.20374	2.1
445.19946	3.8
447.21722	1.9
448.22552	9.2
449.23456	13.6
452.22031	14.0
459.21820	6.5
460.22614	10.3
461.18658	1.5
461.24005	1.7
462.20337	13.3
463.21039	2.1
465.23035	5.7
467.37189	4.7
473.19653	1.8
475.20844	11.6
476.21912	7.3
477.16190	1.6
477.22775	26.3
478.23276	1.5
479.24405	1.2
487.21680	1.8
488.22000	1.7
489.22803	2.1
492.25409	6.7
501.22549	1.6
503.24493	6.3
504.25101	1.1
507.28101	4.1
518.22839	1.3
521.21887	10.7
523.22949	1.1
524.39825	1.2
535.26147	4.9
536.15887	2.0
536.24127	40.5
537.24304	4.6
541.38867	9.4
547.23230	1.9
551.26074	2.7
552.27319	11.2
561.24707	4.6
562.25513	1.7
563.26245	2.6
579.25726	2.0
593.26825	1.3
595.28717	2.1
607.24719	2.0
621.26990	8.0
622.27716	100.0
623.28168	5.0
633.31921	0.9
638.90411	1.0
639.27991	9.2
639.41034	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.05494	1.4
57.07059	1.1
58.50111	0.5
67.05493	5.6
69.07047	1.1
69.57897	0.6
71.08592	0.9
71.34081	1.1
76.08402	0.5
79.05485	4.2
81.07051	3.8
83.04941	0.6
83.08585	1.1
87.79059	0.5
91.05476	2.8
92.77662	0.5
93.07030	5.1
95.04960	1.2
95.08596	3.2
97.10122	0.7
105.07029	2.5
107.08601	1.6
109.10152	2.1
119.08562	2.1
119.81113	0.6
121.10117	1.3
123.08039	0.8
131.08507	1.2
133.10107	1.1
135.11716	1.0
145.10101	0.7
147.11659	1.0
168.68924	0.6
171.11667	0.6
207.13707	1.7
221.10802	0.7
298.13300	0.6
306.16962	0.6
350.16177	1.0
364.17990	0.8
374.16064	1.0
375.15936	2.6
376.16785	1.9
377.17538	3.4
378.19440	1.3
379.20340	1.2
387.16504	0.8
388.17810	1.0
389.17798	3.6
390.18564	4.2
391.19104	14.0
392.19849	3.6
393.21790	2.0
398.18805	0.7
402.18515	1.4
403.19485	3.2
404.20056	5.3
405.20657	19.4
406.21451	11.2
407.22046	1.3
417.16467	0.9
417.21017	1.8
419.22565	6.0
420.23123	13.6
421.23792	8.2
424.22592	1.5
429.20996	0.9
431.22729	0.8
432.19049	1.2
433.24899	3.4
434.25195	5.2
435.17831	1.2
438.20386	3.0
445.19949	3.5
446.20538	0.9
447.22269	2.7
448.22681	9.1
449.18048	0.8
449.23459	14.9
450.23792	1.2
451.20734	0.7
452.22009	17.6
453.22461	1.1
459.21829	7.1
460.22580	11.6
461.19281	1.9
461.23721	1.8
462.20453	12.8
463.21069	2.5
465.22858	9.6
467.37192	3.6
473.19852	2.4
475.20959	14.2
476.21912	8.1
477.22806	30.6
478.23401	3.3
479.24573	1.2
487.21289	2.3
488.22070	1.8
489.22781	1.7
491.25104	1.3
492.25537	6.4
493.21832	1.7
501.22537	0.8
502.23535	0.9
503.24756	6.6
504.25180	1.9
507.27808	5.1
508.28503	1.3
518.23047	1.9
519.23755	1.2
521.21686	10.2
522.22089	1.1
523.22882	0.8
524.40186	1.5
534.22760	0.7
535.26404	7.6
536.24097	42.5
537.24670	6.5
541.38745	10.1
547.23608	2.2
548.24249	1.0
551.26367	2.4
552.27203	13.4
553.27777	1.3
561.25012	4.8
562.25421	2.3
563.26471	3.4
565.24628	1.2
579.25372	2.9
580.27191	0.8
593.27454	2.2
595.28839	2.0
607.25476	1.2
621.26898	7.0
622.27734	100.0
623.28107	8.7
639.27887	8.5
640.28156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.01854	4.4
55.05506	21.8
57.03416	8.8
57.05914	2.1
57.06819	3.0
57.07070	34.7
67.05188	4.0
67.05496	32.6
69.03402	8.4
69.06719	2.5
69.07062	30.9
70.74678	4.4
70.75046	5.2
71.04973	4.3
71.08620	24.0
79.05489	17.1
81.03410	4.3
81.07044	30.3
83.04937	4.6
83.08617	13.9
85.10177	15.2
91.05470	20.3
93.07020	18.2
93.84393	2.1
95.04951	11.9
95.08593	29.8
97.02878	7.0
97.06528	5.2
97.10158	14.0
105.07005	15.3
106.44327	2.3
107.04974	5.3
107.08564	12.4
109.06509	6.4
109.10145	16.0
111.08041	3.0
117.07022	3.9
119.04925	2.1
119.08549	10.7
121.06499	3.9
121.10115	7.7
123.08029	3.3
123.11656	4.7
125.09618	7.8
129.03134	2.9
131.08510	6.0
133.10098	8.7
135.08034	5.9
135.11705	3.6
137.09576	3.7
141.07098	3.4
143.08560	2.8
145.10121	4.3
147.08057	5.6
151.11174	2.9
159.11732	2.2
163.11118	3.0
171.11575	3.0
172.35205	2.3
175.11137	3.2
189.11223	2.9
190.29663	2.1
191.98784	2.2
205.12219	3.8
223.13222	20.1
227.12804	4.4
249.14766	3.0
253.14333	12.2
273.18484	18.6
291.19510	100.0
303.82010	2.5
313.27319	83.5
347.22015	4.2
365.23212	46.0
568.20331	2.6
585.45142	7.9
603.46057	73.6
604.45844	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	639.1545
Annotation	Herbacetin 7-(6''-quinoylglucoside)
Peak:m/z	Relative Intensity
50.00320	0.2
53.03941	1.3
55.01849	0.8
55.05509	0.4
56.60419	0.2
57.03429	1.9
61.02915	1.1
63.43131	0.2
65.03903	0.2
67.05492	0.4
68.99790	0.3
69.03413	8.3
69.07043	0.3
70.03739	0.2
70.06415	0.7
71.01344	0.5
71.04977	1.4
71.13168	0.2
73.02905	3.1
79.05470	0.8
81.03400	7.3
81.07043	0.4
83.04965	0.6
85.02416	0.3
85.02891	4.6
87.04472	0.3
91.05463	1.4
93.03362	0.3
93.07024	0.8
95.04919	0.4
95.08620	0.2
97.02269	0.3
97.02871	4.7
97.06503	0.7
98.06779	0.2
99.04428	3.3
100.22948	0.2
103.03927	1.7
105.07011	9.1
107.04893	0.3
107.08556	1.2
107.09725	0.2
109.02858	6.4
109.06477	0.2
111.00780	0.5
111.04407	0.6
113.02271	0.3
115.03904	0.4
115.05414	0.2
119.04906	0.4
119.08543	0.7
121.02847	0.6
121.06487	0.4
121.10115	0.4
123.04433	0.4
123.08066	0.3
127.03894	6.7
128.06203	0.3
129.05443	0.8
131.08557	0.3
133.04900	0.5
133.06459	1.2
133.10100	8.5
135.04399	0.2
135.11705	0.3
137.02316	2.0
137.05969	1.2
137.06874	0.2
137.09586	0.3
141.01846	0.2
143.06996	1.7
143.08557	0.4
145.04951	1.6
145.06067	0.2
145.10085	0.8
146.07195	0.2
147.04376	0.7
149.02342	0.4
149.05960	0.2
151.03880	0.3
151.07518	0.4
153.01802	2.3
159.08081	0.2
161.09581	7.3
163.03896	0.7
163.11174	1.4
165.01805	1.5
169.04970	0.3
171.07997	0.6
173.08052	1.1
177.05396	0.5
179.10628	0.8
183.02884	0.7
187.05974	5.8
187.07652	0.3
189.07413	0.2
189.09068	3.3
193.04984	0.3
201.05470	1.1
205.05139	0.4
205.07025	1.1
207.10155	1.2
219.06479	0.3
223.05937	0.8
229.04924	2.8
233.11685	1.0
235.13271	0.4
241.06995	0.3
247.06000	0.5
250.14261	1.0
251.14636	0.3
253.14313	2.6
257.04413	2.2
262.59146	0.2
263.12778	2.2
271.90692	0.2
274.04684	0.7
275.70883	0.2
281.13800	7.2
285.03833	1.0
287.05548	1.0
288.05743	1.0
289.06058	1.0
303.04929	100.0
304.05273	2.4
308.26208	0.2
325.16391	0.4
327.04868	0.2
337.12729	0.3
345.05948	0.8
353.15808	0.3
365.12073	0.3
369.06250	0.3
427.19598	0.3
439.15677	0.2
445.20575	0.9
457.16760	0.4
507.10898	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80147	0.2
62.57065	0.2
67.05479	0.7
69.98366	1.1
71.08610	0.3
79.05475	0.5
81.07056	0.3
81.31134	0.2
88.23125	0.2
95.08591	0.3
107.22454	0.2
109.10148	0.4
119.08603	0.2
121.06461	0.2
131.08549	0.4
137.06302	0.2
184.09984	0.2
197.10806	0.3
207.09050	0.3
209.10748	0.3
211.12294	0.5
213.13992	0.3
221.10748	0.5
222.11618	0.3
224.13083	0.2
237.13876	0.4
247.12335	0.3
249.13972	0.4
256.03116	0.2
270.17233	0.3
285.22162	0.2
295.14438	0.3
299.14151	0.3
312.15051	0.4
314.16492	0.3
326.16418	0.5
328.18008	0.3
340.17950	0.5
354.19449	0.3
363.16183	0.3
371.15576	0.2
372.17151	0.3
375.16284	0.5
376.17322	0.3
377.17432	1.6
378.18460	1.0
386.18585	0.3
388.17587	0.3
389.17499	1.1
390.18460	1.1
391.19070	4.8
391.23962	0.3
392.19882	3.1
393.20459	1.2
398.18579	0.2
403.19424	1.2
404.20169	1.6
404.31540	0.2
405.20694	9.4
406.21463	4.5
407.22244	11.2
408.22644	1.0
416.20129	0.4
417.20822	0.8
418.21985	1.1
419.22382	4.4
420.23038	4.1
421.17538	0.5
421.23788	15.7
422.17770	0.6
422.24570	3.7
423.24640	0.3
426.21863	0.2
430.17813	0.2
431.17752	0.4
431.22604	0.9
432.23746	0.4
433.24411	3.4
434.24878	1.8
435.18204	1.3
435.25000	1.2
436.18881	1.9
437.19727	0.7
443.22891	0.3
445.19962	1.5
446.20984	0.7
447.21390	1.0
447.25836	1.0
448.26187	0.8
449.19702	1.5
449.27161	0.6
450.20651	1.7
450.27435	0.4
451.21231	13.2
452.22049	4.0
459.21692	0.8
460.22479	1.2
461.23627	1.8
462.20706	0.3
463.21521	1.7
464.21918	1.5
465.22800	17.1
466.23328	2.8
467.37247	0.7
471.18741	0.3
472.18884	0.4
473.19324	1.3
475.21039	1.2
475.25375	0.8
476.21088	0.3
476.26395	0.4
477.22681	1.6
478.23318	1.3
479.24356	1.3
486.20590	0.4
487.21313	1.9
488.22134	1.4
489.22568	0.6
490.24872	0.3
491.19711	1.7
492.21588	1.6
493.26385	2.0
501.22937	2.0
502.23627	1.2
503.24359	12.5
504.24841	1.6
505.22162	0.7
507.27560	9.9
508.28241	3.5
517.26135	0.3
518.24518	0.3
519.23792	0.8
520.24988	0.3
523.23303	3.5
533.25647	1.4
535.26984	15.3
536.27252	1.5
537.24872	8.8
538.25238	0.8
551.26453	4.4
552.27185	15.3
553.27631	1.4
561.24829	3.4
562.25549	0.9
563.26190	0.6
579.25909	6.9
580.26581	2.3
589.24713	0.4
593.27991	1.3
595.29089	5.4
596.29047	0.6
611.27991	0.4
621.26984	13.8
622.27325	1.7
639.28015	100.0
640.28302	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	637.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06001	0.9
53.03930	1.5
55.01852	1.4
55.05254	1.0
55.05499	12.1
57.03423	2.2
57.07057	2.2
65.03924	2.9
67.05492	19.5
68.05809	1.6
68.63358	0.6
69.03415	5.5
69.07050	9.5
70.07377	1.4
71.04968	2.4
71.62643	0.7
71.63062	0.9
79.05051	1.3
79.05481	19.9
80.05813	1.7
80.92017	0.8
81.03407	8.9
81.06567	1.5
81.07044	27.7
82.07376	4.4
83.04962	8.4
83.08604	6.8
84.05256	0.8
84.08958	0.8
85.02874	1.8
85.06524	1.3
91.05469	30.0
92.05800	5.6
93.07025	31.0
93.07619	1.6
94.07368	4.7
95.04971	6.7
95.08590	30.9
96.05264	0.9
96.08920	8.1
97.02878	1.9
97.06522	2.8
97.10153	2.0
98.10467	0.9
99.04432	0.8
99.08071	1.1
100.01540	0.7
105.07016	25.1
106.07346	5.8
107.04937	1.7
107.08575	29.8
108.08894	9.3
109.02879	1.8
109.06499	3.7
109.09357	1.4
109.10134	13.9
110.10468	5.6
111.04463	0.8
111.08065	3.9
112.08397	1.2
115.05482	0.8
115.55077	0.7
117.06348	0.6
117.07014	5.7
117.52213	0.7
118.07370	1.4
119.04926	25.0
119.08564	32.1
120.05252	12.4
120.08886	11.8
121.05547	0.9
121.06535	1.1
121.09291	1.4
121.10113	17.2
122.10466	5.4
123.04408	0.9
123.08044	2.6
123.10892	0.8
123.11700	4.6
124.12027	1.0
125.09604	5.1
126.09933	2.7
127.03921	2.2
128.06252	1.1
129.07014	5.5
130.07350	1.0
131.08566	10.4
132.08884	3.8
133.06479	1.0
133.09174	0.8
133.10104	18.9
134.10443	7.5
135.07991	1.2
135.10762	1.3
135.11668	8.4
136.11995	2.9
137.09586	2.2
138.09911	1.0
139.11145	1.0
141.06879	0.8
142.07756	1.0
143.08537	6.3
144.08986	1.5
145.10106	19.0
145.11244	0.9
146.10442	9.1
147.04385	100.0
147.10658	1.3
147.11684	13.5
148.04721	53.1
148.11967	5.4
149.02312	0.9
149.04933	11.4
149.09590	1.9
149.13263	7.4
150.13544	3.4
151.11179	1.5
152.11465	0.9
153.09050	1.1
155.08514	1.2
157.10126	4.4
158.10512	2.2
159.11679	15.2
160.12022	7.4
161.09535	1.5
161.13284	9.7
162.13570	3.3
163.11125	0.9
163.14923	3.6
164.15146	2.3
165.05441	7.3
166.05814	5.7
167.05949	1.5
169.10054	1.2
170.10526	1.2
171.11644	7.9
172.12042	1.7
173.13249	8.1
174.13576	6.2
175.14894	6.9
176.15132	4.0
177.09068	1.6
177.12747	1.7
177.16507	4.3
178.09433	1.0
178.16705	3.4
179.14253	0.8
181.43805	0.8
183.11667	1.8
185.13184	1.2
186.13612	1.8
187.11160	0.8
187.14783	17.4
188.15117	16.8
189.12659	2.0
189.16562	9.2
190.16704	9.5
191.14305	1.7
191.17880	3.2
192.14728	0.9
192.18208	3.9
193.05075	1.5
195.11765	0.9
195.13791	2.1
199.14790	3.1
200.15125	2.6
201.16388	12.0
202.16667	10.4
203.14322	0.8
203.17859	3.2
204.18288	4.1
205.15860	4.3
206.16228	2.9
206.19658	0.8
207.13741	4.8
207.17104	0.9
209.62753	0.9
213.16420	5.9
214.16638	5.9
215.18011	8.5
216.18257	8.4
217.15884	2.5
217.18811	3.1
218.16188	1.7
218.19818	1.0
219.17421	7.7
220.17709	7.2
221.18153	1.9
227.17828	0.9
228.18228	1.5
229.15839	0.9
229.19365	1.5
230.19919	0.8
232.17665	0.9
233.18932	2.7
234.19337	2.5
235.16885	3.8
236.17253	5.2
237.17761	1.4
241.19313	1.0
242.19969	1.4
243.20811	1.2
247.16878	5.2
248.17258	6.8
249.17723	2.3
250.18813	0.8
254.20012	1.0
256.21301	1.3
261.18420	3.7
262.18796	3.6
263.18936	1.5
267.20972	1.1
268.21368	2.4
269.17438	2.1
270.22821	0.9
271.23285	0.9
281.17410	10.2
281.22141	0.8
312.23819	1.2
323.29099	0.8
357.27103	0.9
383.25916	1.0
389.32050	1.5
390.32294	3.1
391.32568	3.7
395.29501	0.9
396.29489	1.9
397.30026	1.8
407.21164	0.8
407.33136	7.9
408.33401	12.9
409.33704	20.2
411.35431	1.4
413.21573	5.0
425.33347	1.9
426.34253	1.3
427.35022	1.0
435.32724	1.7
436.32852	2.9
437.33081	7.2
453.33636	2.5
454.33942	10.2
455.34219	16.0
457.29272	6.6
475.30475	28.4
476.31110	1.8
619.34564	11.1
621.15808	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3569
Annotation	Withanoside XI
Peak:m/z	Relative Intensity
51.02378	1.2
52.99587	0.6
53.03935	6.9
55.01856	3.0
55.05504	18.1
57.03425	10.5
57.07053	0.8
59.04984	1.3
65.03919	3.0
67.05496	53.9
69.03417	12.3
69.07056	13.5
70.24000	0.6
71.04978	5.6
71.62634	1.0
71.63029	1.2
73.02932	1.3
73.06570	1.0
79.05481	59.6
80.05807	0.9
81.03405	31.6
81.07047	57.6
82.07371	1.3
83.04970	22.1
83.08607	11.5
83.54997	0.6
85.02898	5.8
85.06528	4.7
87.04484	1.0
91.05468	48.4
92.05795	0.7
93.07030	63.8
94.07368	1.6
95.04958	18.9
95.08597	25.1
96.08887	0.9
97.02875	8.8
97.06522	7.6
97.10153	4.1
99.04433	3.5
99.08072	1.8
103.05469	1.2
105.04509	1.0
105.07015	33.2
107.04940	6.5
107.08575	22.4
108.08865	0.8
109.02856	5.0
109.06493	6.4
109.10126	5.0
111.04395	4.3
111.08052	3.6
112.39252	0.7
113.06005	1.0
115.05462	2.7
117.07005	12.8
119.04952	1.2
119.08562	21.9
120.08900	0.7
121.06495	5.2
121.10123	12.0
123.04395	1.3
123.08074	3.7
123.11658	2.4
125.09600	1.3
127.03907	6.6
128.06239	2.3
129.05525	4.1
129.06984	13.2
131.04956	0.9
131.08553	10.9
133.06477	2.4
133.10121	13.2
135.08064	2.3
135.11652	5.8
137.09552	1.1
139.03946	0.7
141.06996	1.3
142.07693	0.8
143.08546	8.9
145.06526	1.8
145.10094	8.4
147.04388	3.0
147.08047	3.8
147.11670	26.8
149.13226	11.1
151.11162	1.2
155.08540	2.2
156.09314	0.9
157.06483	1.4
157.10089	2.5
159.08058	1.6
159.11664	7.0
161.05986	1.2
161.09604	3.6
161.13226	9.1
163.11159	1.0
165.09157	0.8
165.12730	1.7
169.10112	2.1
171.11668	17.5
172.12099	0.7
173.04414	2.3
173.05927	1.2
173.09627	1.4
173.13284	1.2
175.07336	0.8
175.11176	1.3
177.12694	4.3
179.14226	0.7
181.10182	1.1
183.11671	1.2
184.07243	1.3
189.12700	6.9
191.14398	0.8
195.13799	6.1
207.13774	21.0
213.14832	2.0
225.14760	1.5
251.16446	1.5
267.15909	1.8
269.15216	1.0
269.17517	8.5
275.16412	1.3
279.15833	0.8
281.17435	46.2
282.17841	1.2
287.16379	1.0
303.16013	1.4
321.16949	1.5
339.18152	4.6
351.18118	1.7
365.24673	1.0
365.39474	0.8
383.25668	1.0
389.19702	1.3
395.20706	3.4
413.21661	20.2
425.21777	1.1
457.29321	4.6
475.30493	100.0
476.30890	4.7
499.30316	1.1
555.33447	1.3
583.32397	0.9
601.33435	1.0
614.56287	0.9
619.34552	42.0
620.34875	2.4
637.41394	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.357
Annotation	Withanoside XI
Peak:m/z	Relative Intensity
51.02368	1.3
53.03931	8.7
55.01843	3.4
55.05255	1.4
55.05498	19.5
56.30486	0.9
57.03428	10.6
57.07065	1.3
60.48642	1.1
62.14995	1.0
62.92799	0.9
65.03915	3.4
67.05492	56.5
69.03413	14.5
69.06715	1.3
69.07057	16.5
69.90625	6.4
71.01340	1.2
71.04980	6.2
71.08615	1.0
73.02888	1.7
73.06515	1.3
77.03883	1.0
79.05477	62.2
81.03403	37.6
81.07037	65.3
82.07349	1.3
83.04967	22.3
83.08601	12.7
84.01984	1.0
85.02888	7.3
85.06516	3.3
87.04455	1.3
91.04876	2.1
91.05461	58.2
93.07023	71.3
95.04952	20.6
95.08586	25.7
97.02853	9.3
97.06492	8.5
97.10131	3.4
99.04419	4.0
99.08060	1.5
105.04504	1.9
105.07012	33.6
107.04922	6.3
107.08575	26.9
109.02874	7.0
109.06490	6.0
109.10138	6.3
111.04404	3.9
111.08047	5.3
115.05428	2.4
117.06993	13.4
119.08566	23.1
121.06445	4.7
121.10107	11.0
123.08006	4.3
123.11668	2.6
127.03864	9.6
127.07563	1.4
128.06175	3.4
128.38779	1.2
129.05434	4.1
129.06973	13.9
129.73923	1.1
130.07675	1.4
131.08539	9.1
133.06401	1.9
133.10095	16.4
135.08034	2.5
135.11626	6.0
137.09557	1.8
141.06934	2.0
143.08528	9.6
145.06415	1.5
145.10123	9.4
147.04379	1.8
147.07993	3.5
147.11661	28.8
149.13229	11.4
155.08504	2.2
156.09363	1.2
157.10022	2.1
159.07898	1.1
159.11684	7.6
161.09633	3.4
161.13251	7.8
163.11121	2.5
165.12689	1.5
169.10078	1.4
171.11652	20.3
173.04404	2.0
177.12735	4.5
179.14215	1.3
189.12685	8.9
193.12161	1.5
195.13750	8.3
207.13751	24.1
225.14885	1.8
259.16977	1.3
267.15906	2.9
269.17386	9.3
281.17410	51.5
287.16388	1.7
299.10104	1.0
303.15753	1.4
321.16742	2.4
339.18130	5.2
389.19354	1.1
395.20648	5.2
413.21564	25.3
457.29462	2.3
475.30481	100.0
476.30664	2.8
489.31863	1.6
537.95398	1.2
541.31226	1.6
555.32745	1.7
619.34625	51.7
637.31842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01862	6.2
55.05506	22.8
57.03175	1.2
57.03429	15.6
57.07051	2.4
65.03923	3.6
67.05495	71.8
69.03072	1.3
69.03419	19.1
69.06715	1.3
69.07061	19.1
69.58825	6.1
71.01328	1.2
71.04989	6.7
73.02900	1.8
73.06532	1.1
74.08669	0.8
77.03881	1.2
79.05480	68.2
81.03407	43.2
81.07043	76.2
82.07355	0.9
83.04967	21.1
83.08128	1.0
83.08601	12.8
85.02884	9.8
85.06528	5.0
85.06989	1.0
87.04434	0.8
91.05467	59.4
93.07028	81.8
95.04955	22.6
95.08589	30.6
97.02883	10.9
97.06519	11.3
97.10147	4.6
99.04449	4.9
99.08064	2.9
101.02344	1.1
102.88915	0.7
103.05461	2.4
105.04496	1.7
105.07018	36.2
107.04929	8.9
107.08579	30.8
109.02872	7.6
109.06514	7.2
109.10146	5.6
111.04420	4.0
111.08067	7.2
115.05443	3.4
117.06203	1.3
117.07001	18.6
119.04892	1.9
119.08564	20.6
121.06462	5.7
121.10127	15.3
123.04388	2.7
123.08032	6.5
123.11649	2.3
124.99847	0.8
125.09596	2.1
125.40869	0.9
127.03058	1.0
127.03909	7.9
127.07527	1.1
128.06195	4.6
129.05518	3.9
129.06990	17.1
130.07738	0.9
131.04883	1.9
131.08551	14.2
133.06444	4.8
133.10115	14.2
135.08025	3.8
135.11673	6.9
137.09563	1.3
139.11150	1.7
141.06953	2.2
141.09033	1.1
143.08543	10.8
145.06461	4.2
145.10088	11.4
147.04359	2.1
147.07996	4.2
147.11670	24.0
149.09612	2.4
149.12019	1.0
149.13243	20.3
151.03856	1.6
151.11200	1.2
153.06993	1.3
155.08556	2.9
156.09314	1.3
157.06432	2.3
157.10107	4.2
159.08051	3.4
159.11649	10.3
161.05937	1.0
161.09604	4.8
161.13234	8.8
163.11108	2.1
165.12834	1.1
167.08578	1.9
169.10100	3.1
171.07999	3.0
171.11659	18.3
173.04497	5.0
173.05757	1.2
173.09575	1.2
173.13197	1.6
175.07512	0.8
175.11180	1.5
175.14792	1.1
175.18456	0.8
177.12704	6.1
179.14275	1.0
181.10114	2.2
183.07919	1.1
183.11647	2.0
185.09560	1.1
185.13184	1.8
187.11183	1.1
189.11192	1.5
189.12720	9.1
191.14279	1.0
195.13773	9.5
197.13168	1.0
199.14610	1.2
201.12662	1.2
203.14313	1.2
207.13762	19.5
211.11208	1.1
213.14656	1.2
215.14221	1.0
219.13802	1.2
221.15363	1.5
223.14763	2.1
225.14798	2.8
227.12498	1.3
227.14462	1.1
231.13922	0.9
233.15346	1.3
235.09795	0.9
241.15796	4.7
243.81165	0.9
249.14690	1.2
251.14185	2.1
251.16489	1.6
257.15369	1.9
259.17041	1.7
267.15808	2.5
269.17535	29.4
281.17422	33.0
287.16376	7.6
293.17499	1.3
305.17294	1.2
309.17224	0.9
315.16068	1.0
333.16785	1.0
339.18021	2.2
351.17865	3.0
361.19980	1.9
379.21048	1.5
381.46146	0.8
395.20648	2.6
411.81808	0.8
413.21588	13.7
425.21600	5.5
457.29462	1.3
475.30505	100.0
476.30881	2.3
485.29089	0.9
489.31976	2.4
527.33533	1.8
555.33044	4.9
565.31372	1.0
601.33014	2.4
619.34705	30.8
620.34668	1.0
637.33411	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	637.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01862	10.8
55.05501	30.1
56.62384	0.9
57.03425	14.8
57.07057	1.9
59.04981	3.8
60.53160	0.9
61.02905	3.8
62.53405	1.0
65.03927	3.0
67.05492	58.7
68.05813	2.6
69.03068	1.8
69.03419	26.4
69.07053	11.4
71.01329	2.2
71.04985	11.5
73.02885	3.2
74.06079	1.1
79.05479	41.1
81.03403	100.0
81.06567	2.0
81.07041	41.3
82.03721	2.8
82.07376	1.5
83.01318	3.3
83.04966	23.5
83.08608	22.3
85.02416	1.6
85.02895	24.7
85.06527	5.0
86.03197	1.3
87.04436	2.0
91.05465	37.7
92.05775	1.3
93.03407	1.9
93.07026	34.7
95.04949	33.4
95.08589	17.6
96.05252	1.3
96.42856	1.3
97.02876	23.4
97.06523	9.4
97.10155	14.9
98.21535	1.8
99.04446	8.6
99.08068	2.2
101.02384	1.7
105.07016	25.3
106.07334	1.7
107.04938	16.6
107.08576	20.0
109.02858	20.9
109.06504	7.7
109.10141	35.4
110.10452	7.0
111.04412	14.8
111.08050	11.0
113.06008	2.4
115.05470	2.4
117.06995	10.3
119.04938	4.1
119.08562	21.8
120.08913	1.7
121.02843	4.0
121.06487	7.4
121.10116	13.3
123.04413	4.3
123.08039	6.2
123.11692	3.2
125.02309	1.9
125.05983	3.4
125.09637	11.7
126.85120	1.0
127.03902	14.6
128.06192	2.1
128.29950	1.0
129.05466	2.4
129.06975	12.2
131.04913	3.5
131.08536	14.1
133.06454	4.0
133.10092	10.9
135.04372	5.6
135.07997	5.2
135.11656	9.9
137.05975	3.0
137.09615	4.5
139.07539	1.5
139.11186	1.2
141.06889	1.4
142.07814	2.5
143.08582	5.5
145.04939	1.7
145.06476	4.3
145.10092	12.8
147.04375	3.0
147.08041	4.6
147.11652	14.5
148.12016	1.8
149.05911	2.7
149.09601	8.3
149.13222	1.3
151.11226	1.3
153.09055	1.0
153.12706	8.7
155.08487	3.6
155.10611	1.9
157.06459	2.3
157.10086	11.9
158.10585	1.2
159.04480	1.0
159.07986	1.7
159.11681	2.4
161.05937	3.1
161.09604	3.1
162.22508	1.1
163.03900	1.3
163.11147	16.4
165.09065	5.0
165.12750	2.3
169.10104	2.4
171.08049	2.1
171.11720	1.2
173.04451	9.1
173.05824	2.1
173.09599	5.4
173.11768	7.1
173.13127	2.2
174.12079	1.8
175.07500	1.2
175.11150	9.6
177.05414	1.3
177.09148	1.0
179.10716	1.6
181.04857	1.3
181.12234	6.6
183.11699	2.2
185.13254	2.0
187.11180	2.7
189.05428	1.2
189.11182	6.3
189.12721	1.5
191.10625	8.3
193.12201	22.3
194.12601	3.6
199.05981	1.5
201.12793	1.7
203.10765	1.2
205.12198	1.5
209.11633	7.6
209.13350	1.1
211.11383	1.2
211.13232	31.1
212.13620	4.6
213.12846	2.5
215.10628	1.2
219.13747	2.1
225.12744	1.2
227.12679	14.6
229.12218	1.2
229.14328	17.3
230.14609	9.5
231.13771	2.5
235.13260	1.8
243.13747	1.5
247.13277	8.8
248.90161	1.2
249.14839	2.9
265.14310	3.5
267.15900	11.7
268.16263	2.5
273.14841	2.8
283.15372	7.9
285.16992	9.3
286.17334	5.6
289.14325	2.1
301.14206	2.1
311.14850	1.5
317.13876	1.4
319.15247	1.4
321.16852	1.6
335.14917	1.8
337.16483	3.8
353.15875	2.9
355.17465	3.9
365.20883	1.2
375.17728	1.3
383.22162	3.7
391.17377	2.0
409.18198	1.3
411.19989	2.9
421.25613	6.3
422.26196	5.1
427.19745	2.5
429.20959	1.9
439.26831	9.2
440.27161	30.4
447.27176	3.2
457.25748	5.3
475.26794	20.2
493.27762	11.4
517.27716	1.6
583.29199	3.0
601.30005	3.2
619.31030	14.3
637.32001	67.2
638.31989	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	637.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03939	8.3
55.01614	1.1
55.01863	10.9
55.05504	25.4
57.03430	10.2
57.07070	1.0
59.04996	1.7
61.02903	1.4
62.05165	0.7
65.03919	2.8
67.05495	31.3
69.03063	1.5
69.03420	21.5
69.07056	8.6
69.50702	5.4
71.00378	0.7
71.01347	1.7
71.04981	8.2
73.02882	0.9
77.03904	0.8
79.05482	31.9
81.03407	100.0
81.07046	32.9
82.03749	1.0
82.07365	0.8
83.01347	4.2
83.04971	27.3
83.08613	21.0
85.02895	21.0
85.06532	2.5
91.05470	30.7
93.07031	30.9
94.07368	0.9
95.01304	1.2
95.04958	24.7
95.05548	1.7
95.08591	13.4
97.02885	17.4
97.06520	6.5
97.10157	9.2
99.04443	8.0
99.08085	1.3
101.02335	1.0
103.05443	1.9
105.07011	17.8
107.04940	13.9
107.08578	16.7
109.02872	21.5
109.06503	7.3
109.10155	7.6
111.04427	17.7
111.08066	9.6
113.06022	2.1
115.05419	2.0
117.07000	10.1
119.04904	1.8
119.08567	17.4
120.08910	1.0
121.02847	0.9
121.06490	6.2
121.10133	12.1
123.04404	3.3
123.08063	6.8
123.11722	2.3
125.02335	0.9
125.06001	2.1
125.09619	7.0
127.03899	11.5
128.06216	1.3
129.05486	1.0
129.06982	7.5
130.07732	1.2
131.04935	1.6
131.08569	10.6
133.06485	2.5
133.10120	9.5
135.04428	1.1
135.08060	3.1
135.11664	11.7
137.05960	1.8
137.09586	2.5
139.03915	0.8
141.06947	0.9
142.07822	1.9
143.08531	3.4
145.05025	1.0
145.06474	3.0
145.10104	12.7
147.04391	3.5
147.08011	5.5
147.11656	10.5
149.05978	2.0
149.09631	5.8
149.13304	0.8
151.07489	0.9
151.11124	0.8
153.09056	1.0
153.12735	10.8
154.07619	0.9
155.08578	3.0
157.06570	1.0
157.10086	8.3
159.08031	1.8
159.11755	1.7
161.05969	2.3
161.09586	1.2
163.03885	0.9
163.11159	19.0
165.05441	1.1
165.09088	2.9
165.12767	2.1
169.10075	0.9
171.08038	1.3
171.11646	0.9
173.04475	3.4
173.05818	0.7
173.09595	4.5
173.11877	1.0
175.11191	8.5
177.05508	0.9
177.12711	0.8
181.10612	1.0
181.12216	8.2
183.06551	1.2
184.07416	1.2
189.09224	1.1
189.11261	3.3
189.12802	1.0
191.10638	8.6
193.10434	1.3
193.12212	22.8
194.12578	0.8
195.11722	0.8
199.11307	1.2
203.10663	1.7
205.12196	1.8
209.11682	7.6
211.13261	43.0
223.13290	0.9
226.41153	0.7
227.12743	18.2
227.14861	1.1
229.14374	1.8
231.13771	1.3
235.13342	1.3
241.19229	0.8
247.13475	1.6
248.93192	0.8
249.14925	1.3
255.13925	1.2
259.13284	1.8
265.14355	3.5
267.15866	11.9
271.13321	1.2
273.14883	2.8
277.14395	1.7
283.15387	14.4
285.16940	3.8
289.14310	2.6
301.14346	2.9
309.16962	1.2
311.14990	1.0
317.13940	1.3
319.15402	2.6
335.14981	0.8
337.16525	2.7
353.15738	5.5
355.17551	6.3
355.22186	1.5
375.18088	1.3
383.22189	3.5
385.18478	1.1
391.17355	0.8
393.19098	2.3
401.23007	1.6
409.18524	3.1
411.20001	4.7
425.22629	1.0
427.19629	4.1
429.21057	1.2
439.25241	0.8
440.27261	3.4
457.25818	5.7
475.26904	19.2
476.26904	1.0
493.27887	19.6
494.27893	1.3
517.27802	1.7
527.26202	0.9
541.27478	1.0
543.69629	0.9
545.27612	0.8
559.28308	1.1
583.28888	2.5
589.29651	0.9
601.29639	3.7
619.31012	12.0
637.32050	86.5
638.32330	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.5
62.71838	0.4
67.05490	1.0
69.61684	1.7
69.62108	1.4
71.08622	0.5
81.07026	0.7
95.08617	0.5
105.07014	0.5
109.10126	0.8
119.08627	0.5
173.70526	0.4
173.72128	0.4
210.11415	0.5
220.09781	0.4
222.11557	0.4
223.12331	1.1
225.10300	0.5
225.13882	2.1
230.19841	0.4
235.12292	0.4
237.13872	0.9
249.13875	0.9
251.08151	1.7
251.11984	0.6
253.09766	0.5
275.15421	0.5
313.27237	0.5
379.15771	0.4
389.13644	0.5
399.19443	0.8
403.15112	0.7
414.15857	0.4
417.16925	2.5
418.17850	1.4
419.18484	0.9
431.18628	1.6
432.19061	2.0
433.20047	3.2
434.20514	0.5
445.16159	0.7
446.17007	0.4
447.21683	7.4
448.22366	1.2
459.22098	0.9
460.18051	0.7
461.19702	1.2
465.35870	0.7
474.20544	0.7
475.21188	18.7
476.21957	5.4
477.22705	0.8
489.22928	0.6
503.20117	2.7
507.24094	0.7
519.23914	0.9
521.25696	0.6
524.75708	0.4
533.21783	0.5
534.25909	0.8
535.23260	15.8
536.23486	0.5
547.22565	2.1
549.25055	2.2
562.25629	3.6
563.26355	2.2
577.28180	2.9
579.26093	0.6
594.28278	0.5
605.26514	0.6
607.25421	1.7
622.27924	4.8
637.30090	100.0
638.30292	6.4
638.40717	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
55.86576	0.7
56.18270	0.7
56.97246	0.8
57.07051	1.3
67.05481	2.7
69.07047	1.0
70.11356	0.7
71.62818	1.5
81.07043	1.6
83.08582	1.0
91.05455	1.1
93.07059	0.9
95.47350	0.8
109.10150	2.0
120.08018	0.9
287.59781	0.8
299.73108	0.8
368.13321	1.1
371.66690	0.9
405.20850	1.2
407.22516	1.2
418.17371	1.1
430.17719	1.3
433.19818	3.5
434.20929	1.7
444.19370	1.3
445.20169	2.8
447.21646	2.5
448.22467	2.7
449.23489	1.2
459.21945	5.6
460.22507	2.7
461.23901	0.9
467.37158	1.7
475.21356	2.8
476.22144	1.8
477.22855	1.2
492.22577	0.9
503.23978	1.0
519.23743	1.9
521.25549	3.4
534.26477	1.1
545.25433	1.1
546.26117	3.3
547.26343	2.4
549.25201	0.9
561.24908	2.1
562.26050	1.6
563.26495	8.5
564.27313	0.9
565.24286	1.1
577.27948	1.7
594.27637	1.0
605.27026	0.9
606.28320	1.8
621.26825	2.6
622.27954	1.9
637.30096	100.0
638.30493	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	637.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69863	0.2
67.63202	0.2
83.24538	0.2
85.90668	0.2
96.52483	0.2
100.67318	0.2
119.91007	0.2
120.08046	0.2
134.98303	0.2
172.56973	0.2
174.95140	0.3
177.57520	0.3
195.09201	0.2
218.12453	0.2
229.35623	0.2
273.13181	0.2
277.46667	0.2
314.97641	0.2
387.16113	0.3
388.17090	0.2
389.17892	0.2
391.19208	0.3
400.16925	0.3
401.17560	0.5
402.18372	0.5
403.19287	0.7
404.20068	0.4
405.20917	0.6
406.21558	0.3
407.22574	0.3
414.18484	0.3
415.19592	1.2
416.20038	0.9
417.21225	1.9
418.21832	0.5
419.17627	0.2
419.22504	1.5
428.15802	0.3
429.16895	0.8
429.21487	0.5
430.17294	2.0
431.18112	3.1
432.18460	0.4
432.24100	1.2
433.20291	0.9
435.21872	0.7
442.17648	0.3
443.17923	1.8
444.18994	2.1
445.20059	8.5
446.21091	2.3
447.22571	1.1
457.20370	0.4
458.20941	7.1
459.21613	5.6
460.22784	5.3
461.19333	3.7
462.20435	0.9
471.22290	0.3
472.22583	0.4
473.23450	0.6
475.21069	2.0
476.21829	1.2
477.22861	2.2
487.24753	0.8
489.18927	0.4
489.22028	0.3
490.23550	0.7
491.24429	1.7
492.25104	0.3
503.19794	0.4
503.24734	0.3
504.25537	0.5
505.22592	0.9
513.22675	0.3
516.21655	0.3
517.21600	1.2
518.22949	5.5
519.23425	0.6
530.23187	0.6
531.23926	0.7
532.24536	0.5
533.25641	3.0
535.23279	1.4
545.25482	3.1
546.26080	1.9
547.27197	0.5
549.25000	0.7
560.24023	0.5
562.25702	0.3
563.26837	0.4
573.24799	0.8
577.28198	2.8
578.27734	0.3
591.25909	0.3
592.26752	0.6
605.27539	14.7
606.28357	1.1
620.06403	0.3
622.28131	0.2
637.30103	100.0
638.30304	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	637.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
70.93672	0.6
94.38873	0.3
95.08475	0.2
97.28136	0.3
102.74914	0.3
104.34842	0.3
107.11490	0.3
125.55521	0.2
175.74667	0.3
182.24272	0.2
259.12079	0.3
369.17899	0.3
375.16812	0.3
377.17352	0.8
386.15341	0.3
387.16278	0.3
388.17722	0.8
389.18393	0.8
390.18723	0.5
391.19122	1.8
392.19809	1.1
397.15363	0.4
399.15918	0.7
400.16818	1.4
401.17419	1.4
402.18991	0.3
403.19391	1.0
404.20697	1.3
405.20667	4.7
406.21436	5.4
407.21951	0.4
412.17609	0.5
413.17789	1.4
414.18387	2.7
415.19104	5.1
416.19708	0.8
417.20850	0.9
418.21591	0.5
419.22827	2.3
420.22983	3.9
421.23773	9.9
422.24091	0.4
426.18268	0.3
427.19418	2.2
428.19901	2.8
429.20755	11.3
430.21921	2.0
431.18210	1.1
431.22449	1.1
432.23337	0.5
433.19891	1.7
433.24130	1.5
434.25006	1.7
441.16232	0.5
441.21365	0.4
442.21671	1.9
443.22452	7.2
444.23361	4.2
445.19800	3.4
446.20740	0.9
447.18088	1.5
448.22318	0.4
449.27417	0.4
452.22141	0.6
455.18268	0.8
456.19415	1.1
457.24771	3.7
458.24979	6.1
459.21722	8.0
460.22714	5.1
461.19278	7.3
462.20325	0.8
470.21320	1.3
471.22757	1.4
472.22546	5.6
473.19278	1.7
473.23514	1.4
474.24573	0.4
475.20486	2.4
476.21936	5.8
477.21533	0.5
477.27393	0.5
483.18039	0.6
484.18335	0.7
485.23410	12.9
486.20038	1.7
486.24045	3.3
487.20505	2.2
488.21912	5.3
489.22351	1.2
490.24042	0.5
491.24503	0.8
492.25357	0.7
493.22141	0.4
498.20309	0.8
499.21063	1.4
500.22305	1.8
501.22525	0.6
502.23730	1.0
503.24310	16.7
504.22693	0.9
505.22070	0.7
507.23438	0.4
513.22693	3.7
514.23541	1.8
517.25970	8.2
519.23822	1.1
529.25903	2.4
530.23425	0.3
535.26996	23.5
536.27057	1.3
545.25403	74.8
546.25940	3.1
547.27069	0.5
549.25256	0.8
558.22363	0.5
563.26404	5.5
564.27307	0.4
573.24866	18.4
574.25067	0.8
577.27954	1.3
578.28088	1.0
605.27484	60.8
606.27808	3.0
637.30096	100.0
638.30402	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	637.2646
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
55.05493	0.7
59.15842	0.3
63.30884	0.2
67.05502	1.3
69.03402	0.3
69.07047	0.3
69.47449	1.6
69.47860	0.5
75.87515	0.3
79.05475	0.9
81.03425	0.5
81.07040	1.4
83.08646	0.3
91.05470	0.9
93.07030	1.2
94.54243	0.3
95.04942	0.4
95.08600	1.0
97.06552	0.3
99.37823	0.3
105.07023	1.0
107.08604	0.5
109.10129	1.0
111.08067	0.4
117.07011	0.2
119.08586	0.7
121.10141	0.5
127.03863	0.2
129.07007	0.4
131.08528	0.4
133.10130	0.4
135.11650	0.4
147.11635	0.4
149.13316	0.3
151.84328	0.2
152.76138	0.3
159.11818	0.4
161.13263	0.2
191.10899	0.3
209.10785	0.4
221.10634	0.3
222.11557	0.4
263.51492	0.3
281.17389	0.4
300.15231	0.3
336.14670	0.3
362.15656	0.3
375.16187	0.5
386.16071	0.3
387.16025	0.5
388.16980	0.4
389.17722	1.1
390.18372	0.5
391.19138	0.3
401.17920	1.2
402.18680	0.6
403.19394	2.2
404.19904	0.8
405.21149	1.2
415.15198	0.6
415.19916	0.5
416.15759	0.5
416.20499	0.6
417.16922	1.4
417.20883	1.7
418.17685	0.5
419.22446	2.9
429.17032	1.1
430.17804	1.1
431.18018	3.3
432.19379	0.9
433.20221	1.0
435.18161	0.5
444.19910	0.3
445.20105	4.2
446.20990	2.7
447.22552	1.8
448.18692	0.4
449.19589	0.7
457.16187	0.7
459.21713	1.0
461.15088	1.3
463.21652	2.7
464.21954	0.4
465.35898	0.6
472.18942	0.4
475.17868	1.7
475.30804	0.6
476.17520	1.4
477.18637	1.4
489.18726	2.5
490.19827	6.3
491.20590	10.0
492.21069	0.4
503.20706	3.6
504.21597	0.8
505.21930	0.4
505.27032	0.3
517.22363	2.5
518.22986	0.6
522.22406	0.6
533.25537	6.4
534.26062	0.3
535.18744	1.2
545.22278	0.4
549.25256	1.4
550.21747	0.4
559.23401	0.7
562.21710	0.5
577.24371	25.2
578.24640	1.3
593.27332	1.2
605.23895	0.9
609.26715	0.4
619.25433	0.7
637.26459	100.0
638.26819	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	637.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22679	0.5
95.08486	0.3
102.35779	0.2
107.67857	0.2
111.34361	0.2
137.45782	0.2
138.22711	0.2
152.24136	0.2
182.09546	0.3
183.62679	0.2
200.54918	0.2
221.10641	0.3
225.09962	0.2
233.10692	0.2
235.12140	0.2
261.10074	0.3
263.11783	0.3
271.12079	0.3
312.48868	0.2
322.13541	0.2
336.14841	0.2
359.14502	0.3
363.16162	0.3
373.14862	0.3
374.16370	0.3
375.16873	0.4
376.17590	0.4
377.17456	0.9
378.18307	0.5
378.22543	0.2
385.14432	0.6
386.15125	0.6
387.16031	0.8
388.17947	0.5
389.17957	0.4
390.18976	0.5
391.19101	1.0
392.20047	1.1
393.20709	1.9
398.15530	0.4
399.16180	1.8
400.16922	1.7
401.17694	3.0
402.18478	0.3
403.19205	0.5
405.20679	0.7
406.21521	0.8
407.22244	2.7
411.16116	0.3
412.17197	0.4
413.17621	2.5
414.18576	3.3
415.19281	6.3
416.15372	0.4
416.20007	0.8
417.21484	1.0
418.18805	0.2
419.17929	0.5
419.22495	0.6
421.19995	1.9
424.17737	0.3
425.17474	1.0
427.19763	1.3
428.20239	3.0
429.21286	6.7
430.21887	2.0
431.18420	0.6
431.23038	0.4
432.19028	0.3
435.21750	1.5
436.22577	0.4
437.17715	0.3
439.19168	0.8
441.16983	1.0
442.17114	1.5
443.18210	3.0
443.22522	3.4
444.18686	3.9
445.20129	2.1
446.21198	0.3
447.17792	0.8
447.22656	0.4
448.18622	0.4
455.18515	0.8
456.19623	1.6
457.20624	4.1
458.21094	3.0
459.17267	0.5
459.22565	0.4
461.19626	0.7
462.20419	0.3
463.20938	0.4
465.35535	0.5
469.16693	0.7
470.16995	0.5
471.22281	6.1
472.23050	3.9
473.19357	3.5
474.20425	0.9
475.16846	0.4
475.21881	0.5
476.18262	0.2
483.18082	0.4
484.18802	0.7
485.19791	2.4
486.20389	5.3
487.21219	2.3
488.22189	0.9
489.18985	0.7
489.23425	0.5
490.19714	2.6
491.20782	0.7
498.20511	0.3
499.21255	8.8
500.22824	2.7
501.19336	0.3
502.19724	0.6
503.24692	3.8
507.23663	0.3
513.18518	1.3
514.19934	0.8
515.21655	0.3
516.21619	1.2
517.22278	2.9
518.22388	0.4
521.25250	0.4
527.20789	2.4
528.21918	1.2
530.22827	0.3
531.23871	11.4
532.23828	0.3
541.22229	0.5
543.23694	1.5
544.20892	0.4
545.21832	0.7
549.24933	0.9
559.23322	74.3
560.23663	1.7
561.25049	0.3
577.24115	0.3
578.25159	0.4
587.22760	13.0
588.22760	0.5
591.26001	0.4
605.23779	0.5
619.25403	100.0
620.25641	3.1
637.26428	15.1
638.26569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07031	0.5
67.05436	1.2
69.44695	2.6
79.05428	0.4
81.06985	0.5
83.08557	0.6
90.26096	0.3
91.05426	0.6
93.06986	0.5
95.04895	0.4
95.08501	0.8
98.20682	0.3
105.06971	0.6
107.08521	0.4
109.10085	0.6
121.10017	0.3
156.08009	0.4
158.09671	0.3
195.09117	0.5
204.08180	0.3
207.09125	0.4
209.10683	0.5
209.13139	0.3
210.11458	0.4
221.10701	0.3
223.12051	0.3
224.13118	0.3
237.10129	0.4
250.11032	0.3
251.11673	0.3
312.14886	0.4
336.15302	0.3
338.12650	0.3
362.15540	0.4
363.15955	0.4
364.16687	0.4
372.13782	0.4
374.15881	0.7
375.16934	0.6
376.17130	0.6
377.17657	1.6
378.18341	1.2
379.18930	0.6
381.13205	0.3
384.14584	0.3
385.14624	0.8
386.15421	1.1
387.16022	0.8
389.17902	0.9
390.18491	0.9
391.19089	2.6
392.19998	2.4
393.20703	3.4
399.15994	1.5
400.16769	2.0
401.17722	2.3
402.18353	1.0
403.19269	0.8
404.15643	0.5
404.20279	0.5
404.69073	0.3
405.16202	0.7
405.21301	1.7
406.21484	0.9
407.17572	0.4
407.22321	5.6
408.22958	0.6
411.16019	0.7
412.16974	0.4
413.17764	2.0
414.13654	0.3
414.18488	2.9
415.19315	5.6
416.19742	1.2
417.16272	0.7
417.20700	1.1
418.18054	0.4
419.18365	2.1
420.19421	0.9
421.20117	4.4
425.17703	0.9
427.19116	1.1
428.20346	2.6
429.15741	0.5
429.21274	5.1
430.16629	0.5
430.21448	1.5
430.26712	0.3
431.18387	1.9
432.19427	0.8
433.15302	0.5
433.20822	1.4
434.21460	0.6
435.21573	4.2
436.22372	1.3
438.18869	0.3
439.19070	0.7
441.17160	1.2
442.17465	1.4
443.18207	2.6
443.22528	2.9
444.18753	2.7
445.20593	2.6
446.20761	1.1
447.18005	2.0
447.22318	1.1
448.18539	0.6
455.18774	0.7
456.19461	1.1
457.20673	3.4
458.21121	2.9
459.17450	2.0
460.18719	0.8
461.19223	2.6
462.20529	1.1
463.21234	1.0
465.35788	0.6
469.16711	1.1
470.17471	1.0
471.22574	4.4
472.17825	0.4
472.22375	2.7
473.19363	4.3
474.20819	2.3
475.17175	1.2
475.21594	1.2
476.18130	0.4
481.20551	0.5
484.19061	1.2
485.19702	3.4
486.20389	4.9
487.21829	2.3
488.21829	1.2
489.18643	1.9
489.22958	2.6
490.19449	4.7
491.20007	1.6
492.21210	0.4
499.21231	8.2
500.23038	2.2
501.18634	0.9
501.23224	1.0
502.19473	1.6
503.24411	2.0
504.20892	0.3
507.24268	0.7
513.19092	5.0
514.19977	1.1
516.21606	2.0
517.22272	12.8
518.22473	1.2
519.20245	1.0
521.25635	1.9
522.26251	0.7
527.20715	2.8
528.21448	1.3
529.22394	1.5
531.24323	10.8
532.23859	0.4
535.23749	0.5
539.39136	0.5
541.22491	0.6
543.23633	1.4
545.21521	1.1
549.24908	6.5
550.25262	0.8
555.19592	0.4
559.23322	55.7
560.23914	1.5
573.21149	0.9
576.23578	0.4
577.24152	2.1
578.24652	1.3
587.22827	10.1
591.26044	3.4
605.23834	5.5
619.25397	56.3
620.25781	2.2
637.26434	100.0
638.26868	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	637.1749
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
51.95387	0.2
53.03937	0.5
55.01861	0.5
55.05502	3.0
57.03426	1.1
58.50848	0.2
59.04993	0.2
61.02922	1.7
67.01872	0.3
67.05490	0.8
68.99802	0.3
69.03418	50.6
69.07052	0.4
69.57492	0.4
69.57903	1.6
70.03754	0.3
71.01345	2.0
71.04982	5.2
79.05479	0.5
81.03392	0.9
81.07044	0.9
83.04966	13.5
85.02888	7.5
85.06535	0.4
86.09705	0.2
87.04459	0.7
91.05461	0.8
93.07024	1.1
95.04935	0.3
95.08601	0.7
97.02884	0.5
97.06551	0.3
99.04457	0.5
101.06028	0.4
103.03934	0.2
105.07008	0.6
106.46592	0.2
107.04938	0.5
107.08589	0.7
109.02869	0.5
109.10137	0.5
111.00744	0.5
111.04422	14.2
111.08051	0.4
111.73535	0.2
119.04903	0.5
119.08579	0.5
121.02837	1.7
121.06506	0.3
121.10096	0.7
123.04406	0.5
127.03902	0.9
129.05457	32.4
133.02858	0.4
133.10095	0.4
135.08017	0.3
136.34760	0.2
137.02339	0.5
137.05969	0.5
137.09569	0.5
145.02821	0.2
145.04836	0.3
145.06573	0.3
145.10092	0.3
147.04398	1.6
149.09737	0.2
153.01796	2.6
161.05988	0.3
161.09630	0.3
163.11064	0.3
165.01796	1.1
165.09036	0.4
171.06491	0.3
177.05409	1.0
183.02814	0.5
185.06018	0.2
185.13159	0.2
189.07547	14.6
209.15424	0.2
213.05379	0.9
231.06310	0.5
241.04855	0.6
258.05231	0.6
259.05920	0.4
287.05447	100.0
288.05759	2.6
298.12891	0.2
299.05368	0.3
329.06409	0.6
391.09796	0.9
449.10724	22.0
450.10773	0.7
637.17035	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1754
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.03935	0.3
55.01858	0.2
55.05500	2.3
57.03416	0.4
61.02919	1.2
65.03939	0.2
67.01857	0.2
68.99798	0.3
69.03416	43.3
69.07046	0.2
70.03761	0.2
70.78339	0.2
70.95492	0.4
71.01339	1.3
71.04979	4.1
73.02914	0.2
79.05476	0.5
81.03398	0.3
81.07043	0.3
83.04964	11.9
85.02886	5.1
86.06044	0.2
87.04461	0.7
91.05463	0.5
93.07027	0.4
95.04929	0.2
97.02863	0.4
97.06519	0.3
99.04427	0.4
101.05975	0.4
105.03423	0.2
105.07000	0.4
107.04857	0.2
107.08557	0.2
109.02882	0.3
109.10095	0.2
111.00755	0.5
111.04420	12.8
116.10724	0.4
119.04942	1.1
119.08566	0.2
121.02842	1.6
121.10090	0.2
123.04334	0.2
125.09635	0.2
127.03931	0.4
129.05453	25.1
133.02832	0.4
133.10110	0.4
137.02332	0.4
137.05978	0.8
137.09566	0.2
145.02826	0.2
145.10185	0.2
147.04384	4.7
153.01794	1.9
165.01834	1.3
171.04356	0.2
173.09691	0.2
177.05399	0.6
183.02927	0.4
185.05920	0.3
189.07538	10.4
190.07770	0.2
213.05431	0.7
231.06462	0.5
233.11746	0.6
241.04944	0.6
250.14258	0.5
251.14697	0.2
258.05240	0.8
259.05893	0.3
287.05438	100.0
288.05817	2.2
299.05322	0.3
329.06384	0.6
361.24374	0.2
379.07990	0.3
397.08972	0.6
439.00748	0.2
449.10721	15.7
450.10800	0.6
475.12137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01849	0.2
55.05503	2.4
57.03421	0.6
59.04990	0.2
61.02925	1.4
65.03938	0.2
67.01855	0.2
67.05489	0.3
68.99813	0.4
69.03417	43.8
69.07052	0.3
70.06595	0.2
70.20086	0.8
71.01343	1.6
71.04982	4.4
78.52634	0.2
79.05495	0.4
81.03407	0.3
81.07050	0.2
83.04966	12.4
85.02892	5.5
86.06062	0.4
87.04452	0.8
91.05477	0.7
92.22714	0.2
93.07034	0.3
95.04960	0.2
97.02885	0.3
97.06517	0.8
98.06879	0.2
98.20822	0.2
99.04453	0.5
101.05999	0.4
103.03947	0.2
105.07011	0.4
107.04938	0.4
107.08611	0.3
108.01499	0.2
109.02906	0.3
111.00778	0.7
111.04425	12.3
113.05958	0.3
116.10739	0.4
119.04926	1.3
121.02841	2.1
121.10123	0.2
123.04405	0.2
125.09624	0.3
127.03913	0.4
129.05457	25.3
133.10118	0.2
135.08025	0.2
137.02344	0.5
137.05945	1.5
137.09584	0.3
138.06332	0.3
145.02783	0.2
145.06465	0.2
147.04382	5.7
147.11685	0.2
153.01797	1.9
163.11165	0.3
165.01848	1.4
165.05495	0.2
165.09177	0.3
171.06497	0.3
177.05452	0.5
183.02859	0.5
185.06143	0.2
189.07547	9.8
204.99998	0.2
213.05431	0.6
231.06477	0.5
233.11624	1.0
234.12024	0.4
241.04922	0.6
243.06427	0.2
250.14418	0.9
251.14738	0.3
258.05203	0.6
259.05939	0.3
287.05447	100.0
288.05737	2.0
299.05487	0.3
327.04904	0.2
329.06430	0.6
360.23737	0.4
379.07993	0.3
397.09085	0.7
449.10727	15.6
450.11166	0.3
475.11481	0.3
549.12781	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84835	0.5
53.03937	2.7
55.01846	1.5
55.05254	0.8
55.05503	10.2
57.03429	12.1
57.07061	0.9
59.04994	2.8
61.02913	4.6
63.54826	0.4
64.00130	0.4
65.03915	1.6
67.05495	60.4
68.05824	0.9
68.63517	0.4
69.03120	0.5
69.03425	5.4
69.07055	4.6
71.01311	0.6
71.04980	4.1
71.62775	0.7
73.02888	1.5
74.09704	0.8
79.05479	14.4
80.05820	0.6
81.03405	31.1
81.07045	20.4
83.04964	7.7
83.08607	16.2
84.05298	0.7
85.02895	16.9
85.06528	2.8
86.09695	0.7
87.04442	0.9
89.05997	0.8
91.03927	1.9
91.05467	19.3
92.05807	0.6
93.07028	14.0
95.04953	13.0
95.08597	10.0
97.02881	5.5
97.06503	3.1
97.10165	2.6
98.10540	0.4
99.04439	1.7
99.08075	1.6
105.07014	13.2
107.04939	3.8
107.08579	7.7
109.02844	1.6
109.06496	3.8
109.10138	56.6
110.10459	1.2
111.04410	2.0
111.08067	7.5
113.05991	1.2
114.88492	0.5
115.03893	0.6
115.05429	0.9
117.07014	1.9
119.04930	1.3
119.08561	14.4
121.02827	1.4
121.06487	2.1
121.10136	7.0
122.10436	0.6
123.04421	1.2
123.08046	1.8
123.11697	2.1
125.09582	2.1
127.03886	2.5
127.07483	0.6
129.05467	0.7
129.06970	5.1
131.04918	0.9
131.08540	7.7
133.05540	0.5
133.06433	2.8
133.08595	0.7
133.10120	8.4
135.04449	0.5
135.08028	1.4
135.11685	2.4
137.09576	4.9
137.13164	0.5
139.03772	0.6
142.07755	0.9
143.08522	1.3
145.04922	1.4
145.06491	0.5
145.10107	2.3
147.04413	3.3
147.08032	2.3
147.11673	9.0
149.09596	4.0
149.13258	1.0
151.07559	0.7
151.11151	0.8
153.01857	1.5
155.08629	0.7
155.10623	2.4
157.10109	8.0
159.11658	1.8
161.09575	1.1
161.13284	0.5
163.03857	1.2
163.11162	1.7
165.01781	1.3
165.09094	1.5
165.12733	2.3
166.09372	0.9
169.09993	0.7
171.02878	1.3
173.09529	0.6
173.11728	16.2
173.13101	0.8
175.11151	7.7
177.05515	1.1
177.12614	0.5
184.07333	1.8
185.13275	0.8
191.10707	0.7
193.12215	25.0
197.13231	0.7
211.13254	32.5
218.16310	0.5
227.12770	0.6
229.14317	55.1
230.14563	1.0
249.14963	0.7
259.20624	0.9
267.12955	0.7
267.15872	11.7
268.16397	0.8
273.07532	1.8
274.07855	1.4
277.21558	3.0
285.16919	28.5
286.17426	0.6
301.21060	0.5
350.18781	0.5
367.22766	0.5
403.24637	1.3
421.25763	15.3
439.26819	100.0
440.27051	4.7
456.31686	0.8
474.32806	2.2
475.26910	0.8
583.30945	1.0
614.43671	0.5
637.31543	2.0
660.26880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1751
Annotation	Quercetin 3-(4''-acetylrhamnoside)-7-rhamnoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01868	0.4
55.05508	2.3
57.03427	0.7
61.02916	1.1
65.03922	0.2
67.01859	0.2
67.05488	0.6
68.99789	0.2
69.03419	45.3
69.07066	1.2
70.03760	0.3
70.37444	0.7
70.37833	0.5
71.01345	1.7
71.04982	5.1
73.02908	0.2
79.05474	0.4
81.03408	0.4
81.07030	0.2
83.04972	13.1
85.02894	5.5
87.04446	0.6
91.05468	1.0
95.04937	0.2
95.08611	0.5
97.02901	0.4
97.06529	1.1
98.21425	0.2
99.04433	0.3
100.28722	0.2
101.05995	0.4
105.07028	0.2
107.04929	0.2
109.02875	0.6
109.06487	0.3
109.10154	0.3
111.00803	0.7
111.04424	13.2
113.05998	0.5
116.19230	0.2
119.04922	0.8
121.02859	0.7
121.10147	0.2
123.04427	0.4
125.09614	0.2
129.05463	27.3
129.76212	0.2
133.10135	0.3
135.04352	0.2
137.02339	2.2
137.05963	4.4
138.06288	0.8
147.04378	1.6
148.04747	0.2
149.02310	0.5
153.01819	2.2
161.06023	0.4
163.03940	0.4
165.01839	1.3
167.03276	0.3
171.06502	0.6
177.59332	0.2
183.02911	0.5
189.07555	11.0
201.05438	0.9
213.05310	0.3
229.04933	2.6
233.11707	3.0
234.11916	1.1
247.06017	0.6
250.14354	2.7
251.14737	1.3
257.04395	2.0
274.04733	0.5
275.68478	0.3
285.04056	1.3
287.05466	3.1
303.04950	100.0
304.05219	1.8
324.51672	0.3
373.08823	0.4
374.66632	0.2
395.07730	0.2
408.25858	0.2
413.08331	0.4
449.10751	12.1
450.10910	0.3
473.10422	0.3
491.11594	0.7
637.07367	0.3
637.17316	4.0
637.35315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88596	0.5
53.03929	1.6
55.01864	2.4
55.05262	0.8
55.05503	10.2
57.03429	10.5
57.07054	0.8
59.04985	2.7
61.02916	4.7
65.03925	1.3
67.05492	56.1
69.03419	6.6
69.07054	5.5
71.01323	0.8
71.04966	3.9
73.02878	1.5
79.05479	14.1
81.03404	34.6
81.07042	23.4
83.04965	8.4
83.08134	1.0
83.08601	15.0
83.87941	0.5
85.02894	19.3
85.03420	0.9
85.06525	2.3
87.04467	1.0
89.05991	0.8
91.03941	1.4
91.05468	17.4
93.07025	13.6
95.04955	16.0
95.08588	11.0
96.50990	0.5
97.02867	5.5
97.06508	3.1
97.10165	3.1
99.04426	1.8
99.08054	1.3
103.05460	0.7
105.07006	11.7
107.04951	4.8
107.08573	8.1
109.02865	2.3
109.06502	3.1
109.10136	51.5
110.10487	0.5
111.04412	2.2
111.08064	7.1
113.05979	1.4
113.09607	1.0
115.05434	1.2
117.06976	1.8
119.04935	0.9
119.08562	13.7
121.02876	0.6
121.06499	1.7
121.10113	8.4
123.04369	0.7
123.08027	1.4
123.11676	2.1
125.05957	0.5
125.09586	2.3
127.03867	1.9
127.07538	0.5
127.11152	0.7
129.06990	5.4
131.04904	0.6
131.08549	6.5
133.06473	1.9
133.10126	6.8
135.04439	0.6
135.11627	2.5
137.09584	4.9
141.06985	0.6
142.07773	1.1
143.08519	1.0
145.04921	1.4
145.10104	2.9
147.04395	1.7
147.08006	3.1
147.11674	9.5
149.06024	0.6
149.09592	4.0
149.13216	2.6
153.01805	0.6
153.12737	0.7
155.08524	0.8
155.10641	2.1
155.54170	0.5
157.10106	8.6
159.08081	0.5
159.11630	1.0
161.09595	0.7
161.13231	0.9
163.05980	0.9
163.11154	2.0
163.14758	1.0
165.12767	2.4
170.06662	0.5
171.02789	0.5
173.04388	1.0
173.09500	0.8
173.11708	13.6
173.13161	1.0
175.11151	7.4
177.16377	1.0
181.12199	0.7
189.11136	0.7
191.10498	0.6
193.12219	21.6
207.13795	0.5
209.11697	0.8
211.13263	31.4
227.12746	1.9
229.14313	55.1
230.14597	1.2
249.14716	0.9
250.15553	0.5
259.24133	1.1
267.15854	11.7
273.07465	0.7
274.37631	0.5
277.21539	1.8
277.25128	0.5
285.16922	29.7
328.35834	0.5
393.49789	0.5
403.24738	1.8
421.25809	15.7
428.68463	0.6
439.26828	100.0
440.27158	4.0
475.26758	1.7
493.27829	1.3
497.62299	0.5
561.29413	0.5
583.30762	1.1
619.30737	1.9
637.31952	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	635.3931
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
50.75624	0.2
51.83930	0.2
53.03931	0.3
55.05497	2.2
57.07056	0.7
63.31268	0.2
65.03918	1.7
67.05489	2.5
69.03413	0.5
69.07058	1.9
69.48173	2.1
71.04964	0.4
79.05473	2.2
81.03397	0.9
81.07040	5.9
83.04979	1.2
83.08608	1.4
85.06533	0.4
85.75820	0.3
91.05466	14.1
92.05797	0.4
93.07028	5.8
94.07394	0.2
95.04932	0.7
95.08589	9.1
97.02882	0.3
97.06481	1.1
97.10156	0.8
99.08052	0.4
105.07011	7.0
107.04958	0.3
107.08574	10.0
108.08950	0.3
109.06491	0.9
109.09435	0.5
109.10128	5.5
111.08050	1.2
115.01044	0.2
117.06992	1.0
119.04925	27.1
119.08559	11.0
119.75722	0.2
120.05238	0.7
120.08868	0.4
121.02865	1.6
121.06480	0.4
121.10125	7.3
122.03177	0.6
123.08077	0.5
123.11679	2.3
125.09621	1.9
128.06187	0.3
129.06984	0.5
131.08545	3.9
133.10114	7.7
134.10413	0.4
135.08057	0.3
135.11664	3.7
137.09555	0.3
137.13199	0.3
142.07790	0.4
143.08533	1.9
144.09241	0.4
145.10095	7.6
146.10435	0.4
147.04382	100.0
147.11658	4.1
148.04747	2.3
149.09508	1.1
149.13234	2.0
151.11171	0.7
153.09073	0.6
155.08537	0.6
156.09328	0.2
157.10104	1.7
158.10823	0.4
159.11667	7.3
160.12117	0.4
161.09528	0.3
161.13237	4.8
163.11137	0.6
163.14799	2.4
165.05469	0.9
168.25114	0.2
169.10103	0.6
171.11661	1.4
172.12421	0.4
173.09647	0.3
173.13240	4.2
175.14801	4.1
177.09116	0.6
177.12752	0.6
177.16371	2.3
181.04910	0.5
183.11606	0.6
185.13263	1.1
187.14786	9.6
188.15227	0.4
189.16360	7.2
190.16528	0.3
191.14310	2.8
191.15977	0.3
191.16281	0.4
191.17880	3.3
193.15817	0.6
197.13264	0.6
199.14815	2.0
201.16347	10.2
202.16803	0.3
203.14314	0.3
203.17923	2.6
205.15831	1.3
207.13913	0.3
207.17413	0.9
211.14778	0.6
213.16331	3.6
214.16772	0.3
215.17929	3.8
217.15950	1.2
217.19496	0.8
219.17404	6.0
219.77074	0.3
221.15285	0.5
225.16324	0.5
227.17944	0.8
229.15851	0.8
229.19507	0.6
231.17363	0.6
231.21182	0.4
233.15393	0.6
233.18936	1.6
235.16919	4.2
239.17842	0.4
241.19473	1.0
243.21082	0.6
247.16898	3.9
251.18002	0.3
253.19441	0.3
255.20969	0.5
261.18463	1.3
265.19672	0.3
267.21051	1.4
269.22681	0.3
271.34186	0.3
272.80585	0.2
275.20099	0.3
281.22720	0.5
311.23529	0.5
327.23126	0.6
341.24512	0.3
389.31985	2.0
395.29150	0.3
407.32953	10.0
408.33408	0.5
409.34412	1.1
423.32565	0.8
425.33844	1.2
435.32471	3.9
443.35074	0.9
453.33566	8.0
454.33713	0.3
471.34579	2.1
617.38232	0.4
635.38403	0.3
657.09918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
55.01616	0.7
55.01863	9.1
55.05499	1.5
57.03421	1.4
57.07061	5.3
59.04984	1.2
60.47143	0.5
61.02881	0.7
61.06792	0.5
64.28529	0.5
67.01849	5.5
67.05485	5.0
68.99783	2.1
69.03418	6.2
69.07053	7.5
69.64967	4.1
70.02944	4.9
71.04987	1.3
72.04505	20.7
73.02903	10.1
74.02415	1.4
76.59199	0.5
79.05492	1.3
81.03406	14.4
81.07049	1.5
83.04976	6.8
84.04450	0.7
84.08176	0.7
85.02887	5.4
85.06531	9.8
86.09680	2.3
87.08083	2.5
89.05999	0.7
90.05540	31.1
91.05470	2.2
93.07013	1.2
95.04945	7.4
95.08591	1.1
95.46394	0.5
96.08084	1.6
96.36558	0.6
97.02880	7.6
98.02397	16.3
99.04442	4.2
99.08080	1.9
100.03957	5.9
103.03918	1.6
103.07556	2.9
105.07029	1.3
107.04927	1.9
108.04461	0.8
109.02863	24.3
109.10098	0.7
111.04420	1.2
112.07587	1.8
113.05994	5.5
115.03955	1.0
116.03436	20.5
118.04973	1.0
119.04908	3.9
121.02829	1.2
121.06496	3.0
123.04386	3.5
124.04730	0.8
124.07571	23.8
125.09548	0.8
127.03887	11.0
129.01808	1.8
130.08614	1.2
131.07008	2.3
132.06535	8.7
132.10190	2.1
137.09570	0.7
138.05484	2.7
139.03845	1.8
142.07541	1.1
142.08612	17.1
145.04950	8.1
147.04385	12.4
147.05481	0.9
148.09642	1.1
151.03917	0.9
153.01804	67.8
154.02119	1.3
154.08513	0.9
156.06502	0.7
156.10187	1.5
157.04955	3.3
157.06091	0.5
158.04483	1.4
160.09673	7.0
162.07587	1.0
165.09097	1.2
166.08612	5.0
167.07004	2.3
167.10744	0.7
169.04962	1.3
170.08177	0.8
171.02864	39.6
172.09666	4.7
174.11198	5.1
177.01717	0.6
179.03305	2.0
180.06512	1.1
181.04942	1.8
181.08496	1.0
184.09651	31.9
185.10011	1.0
187.03871	0.8
187.05977	1.3
191.03349	0.7
192.08707	2.7
193.08583	2.0
195.02832	1.7
198.07594	5.1
199.06010	3.3
202.10712	100.0
203.11345	2.1
211.09641	10.6
212.09065	0.8
215.03349	1.3
216.08624	4.8
217.07047	2.8
219.02730	0.6
220.11771	20.5
226.10759	1.8
230.10201	13.6
234.09726	10.1
242.06772	0.8
243.02858	1.5
244.11774	2.2
259.20605	0.8
261.03860	2.4
262.12817	23.0
273.07529	43.9
274.07999	1.3
277.21616	0.7
282.13470	0.9
285.07639	1.0
300.14301	0.7
304.13824	3.6
310.12799	11.2
322.14948	7.8
328.13849	70.2
329.14273	1.1
344.04779	1.5
346.14883	12.9
363.08664	4.3
364.15979	24.0
381.09555	2.0
488.15070	0.6
490.10187	0.8
506.16525	2.5
600.20563	1.7
618.21344	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3931
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
52.11301	0.4
55.05500	2.1
57.07055	0.4
59.04990	0.4
61.31616	0.4
65.03922	2.0
67.05496	4.0
69.03414	0.5
69.07052	1.9
70.36858	0.3
71.04983	0.5
71.98788	0.4
76.42698	0.4
79.05476	2.7
81.03401	1.1
81.07043	5.6
83.04961	1.4
83.08599	1.8
89.27390	0.4
91.05469	15.1
93.07043	3.7
95.04945	1.9
95.08581	5.9
97.06522	0.8
97.10130	1.0
98.21491	1.2
105.07026	3.9
107.08576	7.2
109.06477	1.2
109.10145	3.7
111.08073	0.9
117.06992	1.2
119.04919	29.1
119.07771	0.8
119.08560	6.9
121.06458	0.6
121.10124	5.1
123.08069	0.6
123.11646	1.3
125.09602	1.3
129.07027	0.5
131.08557	3.2
133.10107	4.9
135.07980	0.7
135.11688	2.3
142.43866	0.4
143.08548	1.6
145.06480	0.8
145.10104	5.4
147.04382	100.0
147.11638	2.5
148.04723	1.2
149.09589	0.6
149.13219	2.0
157.10147	1.4
159.11661	4.1
161.09613	0.4
161.13231	2.6
163.14786	1.2
171.11591	0.8
173.13200	2.7
175.11221	0.4
175.14786	2.0
177.09068	0.7
177.12761	0.5
177.16319	1.3
185.13252	0.9
187.14764	5.9
189.16348	4.3
191.14301	1.9
191.17943	2.3
197.13249	0.6
199.14777	1.4
201.16335	5.3
203.17964	1.4
205.15845	0.8
213.16296	2.4
215.17880	2.6
217.15825	0.7
217.19443	0.5
219.17439	4.9
229.19388	0.6
229.84622	0.6
231.17310	0.5
233.18985	1.1
235.16913	2.1
237.18365	0.4
241.19630	0.5
247.16846	3.0
261.18481	0.8
267.21109	1.0
301.14420	0.6
389.32047	0.7
407.33029	6.8
409.34302	0.6
425.34064	1.0
435.32629	2.4
453.33575	6.4
471.34717	0.9
617.37903	0.7
635.39362	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01857	0.6
55.05500	2.4
57.07059	1.1
59.58517	0.4
60.21381	0.4
65.03922	1.3
66.65604	0.4
67.05495	4.0
69.03399	0.7
69.07065	2.9
69.31734	4.6
71.04972	0.5
71.08612	0.5
73.37984	0.4
74.09668	0.5
79.05481	4.0
81.03404	1.5
81.07043	8.1
83.04961	2.8
83.08612	2.5
85.06509	0.5
91.05465	17.1
93.06461	0.6
93.07032	7.6
95.04958	2.1
95.08595	11.3
97.02899	0.5
97.06520	1.3
97.10160	1.3
99.08096	0.4
105.07014	8.6
106.07333	0.4
107.08573	12.5
109.06493	1.6
109.10142	7.6
110.79401	0.4
111.08060	1.1
115.05372	0.5
115.30059	0.4
117.07011	1.6
119.04923	27.1
119.08559	13.4
119.09429	0.5
121.06528	0.7
121.10128	9.7
123.08073	1.0
123.11707	2.7
125.09610	2.8
128.06195	0.5
129.06970	1.1
130.07648	0.4
131.08559	4.6
133.10110	10.6
133.67310	0.5
135.11694	5.3
137.09566	0.7
137.13194	0.5
143.08569	2.6
144.09319	0.5
145.10101	10.6
147.04388	100.0
147.11664	4.6
148.04721	1.3
149.09644	0.5
149.13240	2.4
151.11134	1.1
153.09064	0.5
155.08484	0.5
157.10153	2.9
159.11687	9.5
161.09552	0.6
161.13229	4.1
163.11136	1.0
163.14783	2.5
165.05489	0.6
165.09102	0.4
171.11609	2.2
173.13268	4.7
174.13849	0.4
175.14807	5.1
177.09111	0.7
177.12761	0.6
177.16328	3.0
183.11726	0.7
184.07294	0.6
185.13263	1.7
187.14809	10.2
189.16345	8.3
191.14345	3.4
191.17921	3.6
193.12302	0.6
193.15857	0.5
197.13246	0.9
199.14824	2.1
201.16342	13.9
203.17932	3.2
205.15907	2.4
207.13861	0.6
207.17502	0.8
211.13170	0.8
211.15013	0.6
213.16345	6.2
215.17896	5.2
217.15921	1.8
217.19489	1.6
219.17416	9.5
227.18015	0.6
229.19478	1.4
231.17366	0.6
233.18945	1.8
235.16875	5.5
239.17917	0.7
241.19476	1.0
243.21078	1.2
247.16896	4.0
255.21111	1.4
261.18512	1.9
267.21030	2.1
281.22565	0.9
323.27582	0.5
327.23062	0.6
389.32028	2.6
407.33051	14.2
408.33478	0.8
409.34631	1.7
425.34174	0.9
435.32468	4.1
443.34860	0.6
448.13272	0.5
453.33618	17.7
454.34445	0.7
461.13083	0.5
471.34305	1.0
505.80618	0.5
575.23151	0.6
635.38062	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01834	0.3
55.05509	3.2
57.07055	1.3
58.87001	0.3
65.03922	1.3
67.05494	5.7
69.03411	0.6
69.07050	4.7
70.68151	0.7
70.68512	0.6
71.04961	0.4
71.08632	0.6
77.03922	0.4
79.05476	5.5
81.03387	0.5
81.06567	0.7
81.07047	12.1
83.04970	3.9
83.08602	2.8
83.58117	0.3
85.06525	0.6
91.05463	15.5
93.07027	13.0
95.04950	2.3
95.08592	20.0
96.08920	0.6
97.06512	1.2
97.10152	1.8
99.08027	0.8
105.06300	0.5
105.07014	13.6
107.04942	3.2
107.08576	20.5
108.08839	0.4
109.06508	2.2
109.10143	12.4
111.08065	3.2
117.06997	2.3
119.04926	22.8
119.08559	24.6
120.08884	0.5
121.06458	0.9
121.10127	14.4
122.10355	0.3
123.04416	3.3
123.08076	1.7
123.11701	3.6
125.09617	4.5
129.06982	1.5
130.07825	0.7
131.08554	8.1
133.10106	17.1
135.08012	1.0
135.11678	6.3
137.09599	1.3
137.13240	0.6
139.07573	0.4
139.11174	0.4
141.06993	0.6
142.07762	0.5
143.08549	4.1
144.09291	0.6
145.10100	18.2
147.04384	100.0
147.11659	8.5
148.04721	1.4
149.09608	1.3
149.13245	5.8
151.11151	1.3
153.09090	1.4
155.08516	0.7
156.09373	0.7
157.10104	3.7
158.10889	1.0
159.11664	15.4
161.09561	0.9
161.13235	8.7
163.07521	0.5
163.11165	1.1
163.14813	3.8
165.05453	8.7
165.09152	0.6
165.12700	0.6
165.16284	0.5
167.10638	0.5
169.10106	0.8
170.10971	0.7
171.11667	3.6
172.12453	0.5
173.09529	0.7
173.13229	8.6
175.11203	0.5
175.14795	9.2
175.16263	0.7
177.09088	1.6
177.12686	1.1
177.16356	5.0
179.14313	0.4
181.10141	0.5
183.11690	1.6
184.07260	0.4
185.13222	2.8
186.14102	0.4
187.14787	22.5
188.15175	0.4
189.12784	0.5
189.16353	14.5
191.14276	2.7
191.17911	5.9
193.15938	0.7
195.11575	0.4
197.13168	1.2
199.14790	5.0
201.16351	18.5
202.16791	0.4
203.14346	1.1
203.17920	6.8
205.15822	5.0
205.19469	0.8
207.17468	1.2
209.13315	0.9
209.15318	0.6
211.14746	1.5
213.16345	7.9
214.16766	0.4
215.14497	0.8
215.17921	13.5
217.15878	3.7
217.19450	1.8
219.14063	0.6
219.17393	9.4
221.15346	0.7
221.18976	0.4
223.14853	0.7
225.16383	1.2
227.17915	1.8
229.15831	0.9
229.19492	1.5
231.17329	1.2
233.15404	0.7
233.18956	3.1
235.16891	6.5
239.17963	0.9
241.19534	2.8
243.17435	0.6
243.21075	1.2
245.19020	0.6
247.16920	6.9
249.18507	1.5
253.19571	0.9
255.21027	1.9
257.22641	0.5
259.17017	0.6
259.20441	0.7
261.18448	5.0
265.19586	0.8
267.21027	2.9
269.22623	0.5
275.20032	0.7
279.21136	0.7
281.22375	1.6
283.23956	0.6
293.22601	0.8
296.51309	0.4
299.19998	0.4
301.21530	0.5
309.25626	0.4
311.23608	0.9
319.24063	0.6
325.34485	0.3
327.23154	0.5
341.24573	0.6
349.28787	1.2
389.31973	4.6
393.31372	0.7
395.29364	1.5
405.31458	0.7
407.33023	22.5
408.33289	0.8
409.35175	2.3
411.70599	0.4
417.31351	0.5
423.32404	2.1
425.34155	2.0
433.30865	0.6
435.32553	7.6
443.34918	1.3
451.32101	0.5
453.33566	19.7
454.33942	0.9
617.38397	1.7
635.38019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05500	3.2
57.07065	1.2
65.03918	1.6
67.05495	6.2
69.03417	0.8
69.07053	3.8
69.55027	0.8
69.55442	3.1
79.05482	3.9
80.80800	0.4
81.07044	10.8
83.04968	3.0
83.08606	2.6
85.06514	0.5
91.05474	14.8
93.07031	10.8
95.04956	1.3
95.08591	18.4
97.06518	0.5
97.10153	1.0
99.08047	0.8
105.07018	13.4
107.07846	0.9
107.08578	20.0
109.06506	2.7
109.10140	11.2
111.08073	1.8
117.06985	2.5
119.04932	25.2
119.08568	22.6
119.09436	0.7
121.06487	0.6
121.10126	13.8
123.08038	1.1
123.11710	3.5
125.09608	4.7
129.07013	1.1
130.07750	0.6
131.08546	8.1
133.10104	15.3
135.11668	7.9
137.09601	1.2
137.13193	0.6
143.08548	2.8
144.09308	0.8
145.10114	17.5
147.04390	100.0
147.11668	8.9
148.04718	1.3
149.09608	0.9
149.13252	4.0
151.11154	1.6
153.09088	1.2
157.10097	3.4
158.10931	0.5
159.11671	14.0
160.12367	0.5
161.13249	7.9
163.07491	0.8
163.11171	0.9
163.14804	3.9
165.05467	9.6
165.06863	0.8
165.09100	0.4
165.12778	0.4
169.10121	1.0
171.11649	3.1
173.09679	0.4
173.13260	7.5
175.14798	7.6
177.09081	1.8
177.12805	1.0
177.16357	4.4
183.11690	1.2
185.13277	2.9
187.14790	21.7
188.15109	0.6
189.16354	12.3
190.16724	0.5
191.14307	3.1
191.17914	6.1
193.15875	1.0
197.13237	1.6
199.14789	3.6
201.16356	16.3
203.14233	0.9
203.17947	5.3
205.15851	4.2
205.19487	0.8
207.17395	1.1
209.15221	0.5
211.14813	1.1
213.16377	7.7
215.17931	13.0
217.15892	3.2
217.19463	2.2
218.04768	0.5
219.14023	0.5
219.17412	9.4
225.16339	0.6
227.17857	1.3
229.15868	1.1
229.19460	1.4
231.17465	1.0
233.15341	0.6
233.18970	3.2
235.16887	5.8
237.16411	0.7
239.17996	0.8
241.19479	2.1
243.21054	1.3
247.16902	6.7
249.18410	1.3
253.19502	0.7
255.21088	1.8
261.18460	5.1
267.21130	2.2
269.22534	0.9
275.20090	0.7
279.21097	0.8
281.22690	1.2
283.24155	0.7
293.22675	0.9
311.23672	1.3
327.23199	0.8
349.28625	0.6
389.32062	4.5
395.29272	2.5
407.33038	22.9
408.33325	1.3
409.34641	1.6
423.32513	1.3
425.34067	1.5
435.32553	7.8
443.35059	1.2
453.33560	19.6
454.33942	1.0
471.34894	0.8
608.22711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.05496	3.4
57.07047	1.4
64.85300	0.4
65.03925	1.3
65.76145	0.4
67.05166	0.5
67.05497	5.9
69.03413	0.8
69.07056	3.6
69.51228	0.4
69.97655	1.4
69.98059	0.7
79.05471	4.0
81.03395	0.5
81.07044	11.6
83.04964	3.1
83.08617	2.3
83.09032	0.4
85.06541	0.4
91.04876	0.7
91.05461	13.5
93.06457	0.8
93.07027	12.3
93.07613	0.7
94.46174	0.4
95.04984	2.8
95.08592	19.8
97.06529	1.0
97.10138	1.2
99.08046	0.9
105.07017	13.7
107.04941	3.7
107.08575	21.6
109.06491	2.3
109.10138	12.5
110.73566	0.4
111.08067	2.1
113.09816	0.4
117.07005	2.1
119.04919	22.6
119.08559	23.6
121.06516	1.2
121.10120	14.6
121.11010	0.6
123.04396	3.6
123.08057	1.5
123.11691	4.1
125.09617	4.7
128.06223	0.6
129.06976	1.1
130.07840	0.6
131.08540	8.9
133.10104	15.9
135.08012	1.1
135.11674	6.7
137.09590	0.9
137.13277	0.7
142.07780	0.6
143.08542	4.3
144.09351	1.1
145.10097	17.3
147.04384	100.0
147.11652	9.0
148.04729	1.4
149.05913	0.4
149.09575	1.8
149.13216	5.3
151.07539	0.5
151.11145	1.6
153.09081	1.0
155.08554	0.9
157.10089	4.6
158.10799	0.4
159.11673	15.8
159.13019	0.8
160.12273	0.4
161.09634	0.6
161.13225	7.8
163.11162	1.2
163.14799	3.5
165.05453	9.5
165.12720	0.7
169.10086	1.5
171.11674	3.7
173.13237	7.9
174.13770	0.4
175.11186	0.5
175.14793	8.1
177.09073	0.7
177.12769	0.9
177.16344	6.3
180.23967	0.4
181.10030	0.4
183.11656	1.9
185.13266	2.5
186.14003	0.7
187.14786	24.0
189.16348	14.3
191.14275	2.8
191.17903	4.5
193.15909	0.8
195.11707	0.5
197.13223	1.6
199.14790	6.7
201.12735	0.6
201.16347	17.8
202.16693	0.6
203.14352	0.7
203.17911	5.6
205.15848	4.0
205.19565	0.5
207.17474	0.6
209.13271	0.5
209.15347	0.7
211.14839	1.1
213.16335	9.0
214.16774	0.6
215.14531	0.6
215.17911	12.0
217.15897	3.9
217.19456	1.2
219.13908	0.7
219.17381	9.9
221.13365	0.5
223.14764	0.5
225.16423	0.7
227.17958	1.4
229.15950	0.9
229.19516	1.8
231.17340	1.5
231.27550	0.4
233.15382	1.0
233.18950	3.7
235.16872	6.6
237.16263	0.4
239.17996	1.2
241.19382	2.0
243.20987	1.5
247.14346	0.8
247.16850	6.3
249.18462	1.0
253.19473	1.6
255.21040	1.5
257.22653	0.7
259.16779	0.7
259.20551	0.5
261.18448	4.9
267.21100	2.6
269.22540	1.1
275.20004	0.6
279.20953	0.6
281.22540	0.9
283.23993	0.6
287.20178	0.6
293.22565	0.8
299.20099	0.5
309.25610	0.6
311.23544	0.6
319.24136	0.7
325.28525	0.5
327.23068	0.7
337.25104	0.5
341.24561	0.7
349.28943	1.4
389.32013	4.6
393.31577	0.6
395.29062	2.1
405.31506	0.8
407.33029	22.0
408.33411	0.7
409.34641	1.4
423.32401	2.0
425.34000	1.9
433.30731	0.6
435.32510	6.7
443.35162	1.0
451.31970	0.6
453.33551	18.5
454.33981	0.9
469.33099	0.5
582.61578	0.5
617.38391	1.4
635.37830	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3931
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
52.45056	0.5
55.05498	2.4
57.07046	1.1
65.03918	2.0
67.05490	3.7
69.07053	3.3
70.09145	1.9
70.57983	0.5
75.51220	0.5
79.05479	2.7
81.07043	9.0
83.04978	3.5
83.08593	1.4
91.05470	15.7
93.06461	0.6
93.07028	9.6
93.19218	0.5
95.04953	1.5
95.08593	18.0
97.06484	0.5
97.10161	0.9
105.07017	10.9
107.07857	0.8
107.08578	15.6
109.06498	1.9
109.10136	9.0
109.10816	0.8
111.08071	1.9
115.05413	0.7
117.06992	1.5
119.04923	25.6
119.08562	18.9
119.09431	0.5
121.06506	0.5
121.10122	12.6
122.43539	0.5
123.08036	1.8
123.11698	2.8
125.09619	3.2
126.49860	0.5
129.06970	0.8
131.08559	6.4
133.09100	0.7
133.10112	13.1
135.11661	6.9
137.09610	1.2
143.08591	3.1
144.09334	0.8
145.10100	13.5
147.04388	100.0
147.11655	6.4
148.04739	1.7
149.09567	0.8
149.13263	2.9
151.11186	1.1
153.09073	1.1
157.10100	2.5
158.10928	1.1
159.11671	13.1
159.56000	0.5
161.13213	7.6
163.14844	2.8
165.05472	1.9
171.11705	2.5
172.12457	0.6
173.11873	0.9
173.13222	6.3
175.14795	6.3
177.09064	1.1
177.16397	4.1
183.11717	0.7
185.13249	1.6
187.14790	17.1
188.15065	0.6
189.16347	10.7
191.14276	2.9
191.17903	5.9
193.15840	1.0
197.13260	1.2
199.14827	4.1
201.16359	15.1
203.17899	4.3
204.18111	0.5
205.15892	3.9
205.19452	0.6
207.17474	0.8
211.14748	0.8
213.16338	7.7
215.17918	9.1
217.15897	1.9
217.19510	1.9
219.17395	12.2
227.17915	1.3
229.15871	0.8
229.19487	1.2
231.17392	0.8
233.15434	0.8
233.19048	3.0
235.16862	6.8
241.19455	1.9
242.19699	0.6
243.21027	1.0
247.16951	5.6
255.21021	1.4
261.18317	2.7
267.05344	0.5
267.21158	2.4
269.22650	0.8
281.22455	0.8
293.22452	0.6
301.21579	0.5
311.23709	0.7
319.24176	0.9
327.23260	0.8
333.34485	0.6
349.28806	0.6
359.10333	0.5
389.31882	4.4
395.29169	1.4
407.33038	21.1
408.33246	1.0
409.34695	2.0
425.34357	0.9
435.32587	5.3
453.33557	20.5
454.34055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
53.03936	13.5
53.54963	1.0
55.01862	7.8
55.05499	28.0
57.03224	0.9
57.03432	11.8
57.07053	1.4
65.03935	6.6
67.05493	61.4
69.03416	23.6
69.07053	15.7
69.96004	4.0
71.04980	10.1
73.02904	2.1
73.06573	1.2
79.05479	83.0
81.03403	97.8
81.07040	62.0
83.04966	26.7
83.08601	17.2
85.02895	19.9
85.03368	2.0
85.06525	3.8
91.05463	80.0
91.60580	1.1
93.07026	65.3
95.04952	42.4
95.08585	31.0
97.02867	17.2
97.06522	8.2
97.10155	7.2
99.04440	6.2
99.08064	2.1
101.02362	1.1
103.05469	2.6
105.04478	2.1
105.07010	52.7
105.10115	1.2
107.04935	14.2
107.08567	21.9
109.02851	16.6
109.06491	9.6
109.10141	7.9
111.04421	10.2
111.08078	8.9
113.02318	1.3
113.05981	1.5
115.05448	5.1
117.06992	19.2
119.04926	2.8
119.08559	38.0
121.06508	7.9
121.10124	12.2
123.04436	3.4
123.08049	5.6
123.11706	3.6
125.09610	4.1
127.03867	11.5
127.04624	1.0
128.06154	6.2
129.05501	2.3
129.06976	28.7
131.04948	3.4
131.08549	17.8
133.06470	7.0
133.10100	17.1
135.08035	3.3
135.11694	5.2
137.06010	1.7
137.09550	1.4
141.06982	4.6
142.07784	4.0
143.08545	13.2
145.06482	6.3
145.10097	15.5
147.04420	4.1
147.08031	6.5
147.11656	38.2
149.05981	2.4
149.09616	5.6
151.11159	1.2
153.12683	2.4
155.08560	4.7
157.06502	2.9
157.10107	12.8
159.08075	3.5
159.11671	3.9
161.09616	4.2
161.13240	9.5
163.11180	5.7
165.06956	1.7
165.12773	4.9
167.08575	3.3
169.10153	4.4
171.08025	4.7
171.11659	24.1
173.04431	7.9
173.09631	3.6
173.13194	1.4
175.11143	9.9
179.14302	1.4
181.10207	2.6
181.12199	1.9
183.07993	1.6
183.11696	2.6
185.09647	1.8
185.13297	2.3
187.11172	2.6
187.14882	1.4
189.11206	2.4
189.12701	9.5
191.10658	2.6
193.12204	27.0
195.11572	1.6
197.13354	1.9
199.14835	1.5
205.12262	1.8
207.13753	25.9
209.11566	1.6
209.13306	2.2
211.13235	35.8
217.12354	1.3
225.14839	3.5
227.12759	4.9
229.14200	1.5
231.13817	1.5
241.16052	1.5
249.14969	1.6
251.14316	1.9
255.13770	1.8
257.15283	1.3
259.13495	1.1
259.16959	1.7
263.16437	1.9
267.15900	15.5
269.15390	4.2
273.14862	3.8
277.14221	1.6
279.16040	1.9
281.17426	26.7
283.15225	1.7
285.17059	5.5
287.16385	6.5
301.14420	1.9
309.16754	2.1
313.16464	1.4
315.15909	1.5
319.15475	2.1
333.16974	2.1
337.16565	3.4
343.19107	1.4
351.17841	2.7
355.17432	7.7
361.20065	2.0
389.19650	2.1
407.20383	2.3
411.20047	8.3
445.29532	1.5
473.28943	20.1
487.30481	1.5
491.29932	15.4
515.30133	2.5
553.31281	3.7
571.32629	3.7
581.31006	2.0
599.31885	4.0
617.33209	11.9
635.34131	100.0
636.35071	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.7
55.01862	6.9
55.05502	25.2
57.03428	10.5
57.07068	1.3
57.79110	1.2
59.04972	1.9
61.02902	2.6
65.03929	4.0
67.05495	56.4
68.05811	2.6
69.03414	22.6
69.07058	15.6
71.04989	11.1
71.62431	1.8
71.62843	1.5
73.02881	1.6
77.03920	1.8
79.05480	73.7
81.03406	91.8
81.07043	56.2
83.00324	1.6
83.04971	23.6
83.08609	22.4
85.02894	17.7
85.06532	5.2
91.05466	70.3
93.07026	62.9
94.07407	2.2
95.04953	38.1
95.08591	32.5
97.02877	17.8
97.06517	7.5
97.10152	5.6
99.04446	7.4
99.08057	2.0
103.05445	2.6
105.04488	1.8
105.07012	49.9
107.04934	14.4
107.08569	26.6
109.02853	15.8
109.06496	11.1
109.10143	18.5
110.10470	2.6
111.04416	15.0
111.08023	7.4
113.06026	1.9
115.05450	4.6
117.06985	17.5
119.04932	3.9
119.08558	35.2
121.06523	7.9
121.10133	13.5
123.04433	4.7
123.08052	8.5
123.11700	4.0
124.99979	2.1
125.09614	5.6
127.03895	11.0
127.07559	3.0
128.06218	4.9
129.05473	3.4
129.06996	22.6
131.04886	2.4
131.08546	17.9
133.06496	6.7
133.10117	18.0
135.08040	3.9
135.11697	8.8
137.05997	1.9
137.09586	3.0
139.03850	1.5
139.11186	2.1
141.07013	2.5
142.07750	3.2
143.08536	11.8
145.06473	6.4
145.10100	16.5
147.04402	8.1
147.08038	5.3
147.11670	36.9
149.09590	6.5
149.13283	2.2
151.07578	1.5
153.12749	2.3
155.08568	4.9
156.09334	2.0
157.06441	3.3
157.10118	11.9
159.08035	3.8
159.11679	5.5
161.05980	2.3
161.09610	4.8
161.13261	6.2
163.07539	2.1
163.11176	11.8
164.11551	2.0
165.09138	6.8
165.12755	5.7
167.08524	1.9
169.10083	4.0
171.07993	2.7
171.11649	20.8
173.04468	5.7
173.05840	1.6
173.09628	3.2
173.11836	2.3
173.13264	3.8
175.11188	10.3
175.14880	2.2
177.05470	1.9
181.10049	2.1
181.12209	2.7
183.11674	2.6
184.07292	2.4
185.09569	1.8
185.13376	1.7
189.11171	2.4
189.12653	10.5
191.10622	2.8
191.14342	3.0
193.12206	20.8
197.13287	2.0
199.14777	2.2
205.12213	1.8
207.13762	24.3
209.11606	2.3
209.13377	1.5
211.11278	1.8
211.13219	29.4
217.12306	1.6
219.13739	1.5
225.14827	2.9
227.12686	10.2
228.13081	2.4
229.14243	11.2
230.14612	6.8
255.13762	2.6
257.15494	2.5
267.15872	14.5
269.15305	3.4
273.14914	2.6
277.18311	1.6
281.17422	26.5
283.15237	7.7
284.15778	5.4
285.17014	5.2
287.16428	4.2
301.14267	3.2
309.17081	2.3
319.15424	2.2
337.16357	2.9
351.17908	2.9
355.17459	6.1
357.16647	1.9
375.17914	1.9
393.19019	2.0
411.20282	7.4
437.25598	4.6
438.25708	18.6
439.27313	1.7
455.76083	1.7
473.22968	2.4
473.28885	22.3
491.30035	12.7
497.28625	1.6
500.95135	1.5
515.30176	3.4
553.31604	4.0
557.30566	1.8
571.32758	3.3
581.30756	2.1
599.32050	3.3
617.32855	13.4
627.51233	1.5
635.34143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2854
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
52.63774	0.2
57.07056	0.3
59.90073	0.2
67.05496	0.5
69.30375	0.2
79.05487	0.3
81.07050	0.5
83.08630	0.2
91.05482	0.4
93.07043	0.3
95.08585	0.6
96.08961	0.2
105.07001	0.4
107.08602	0.3
123.98141	0.2
133.10176	0.3
145.10143	0.3
151.47548	0.3
177.69331	0.2
209.10756	0.3
223.12305	0.4
224.09393	0.3
225.13811	0.3
229.52701	0.3
235.12234	0.4
236.12979	0.4
237.10115	0.3
237.13837	0.5
247.12263	0.4
249.10271	0.7
249.13901	0.5
320.52487	0.3
338.16574	0.2
387.16180	0.3
389.17548	0.9
390.19049	0.4
401.17740	0.4
402.18454	0.5
403.19229	2.1
404.19778	0.8
405.20761	1.4
415.19330	0.7
416.20642	1.3
417.16522	0.8
417.21423	3.0
418.16785	0.3
418.22342	1.2
419.22263	1.1
429.16360	0.3
429.20807	0.7
430.17050	1.5
431.18066	5.3
431.23535	0.4
432.19409	1.2
432.24094	0.5
433.24261	2.0
443.18195	0.6
444.18875	1.4
445.19992	6.4
446.20837	1.3
447.21768	0.6
455.18701	0.3
456.19131	0.3
458.21304	0.5
459.22610	3.0
460.22986	2.7
461.23737	2.8
471.21552	0.3
473.19458	1.1
473.24146	0.7
474.24280	0.5
475.21176	0.9
477.23096	0.7
487.21182	0.8
487.25793	0.4
488.21988	2.8
489.22763	5.3
490.23773	0.3
501.23026	1.2
505.21603	0.4
505.26254	0.3
515.24353	0.9
517.22571	0.5
518.23071	0.6
519.22638	0.3
519.27814	0.4
520.25073	0.3
523.39874	0.3
531.23749	0.5
532.24799	0.6
533.22168	0.9
543.23926	0.3
546.23511	0.3
547.27399	7.4
557.25464	0.3
560.23706	0.3
575.26465	20.0
576.26971	0.7
578.25391	0.5
579.29205	0.3
591.25159	0.4
595.63367	0.3
603.26257	0.9
607.28650	1.5
635.28522	100.0
636.28894	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2853
Annotation	Shizukaol M
Peak:m/z	Relative Intensity
55.05494	0.5
57.07065	0.6
67.05501	0.8
69.07068	0.8
70.19804	1.0
70.20215	0.6
79.05461	0.4
81.07026	0.9
83.08543	0.4
91.05449	0.4
93.07039	0.9
95.08595	0.9
105.07010	0.7
109.10142	0.8
119.08587	0.7
125.09679	0.4
126.16533	0.4
211.83858	0.3
222.91129	0.3
232.24889	0.4
237.13823	0.4
259.84918	0.3
327.70090	0.4
389.17752	1.4
401.17743	0.9
402.18469	0.7
403.19061	2.9
404.20090	1.0
405.20706	1.8
415.15106	0.8
415.19772	0.5
416.15613	0.7
416.20401	1.1
417.16656	1.6
417.21603	3.6
418.21497	1.4
419.22287	3.5
429.17191	1.5
430.17575	3.3
431.18051	6.7
431.23541	0.9
432.18991	1.5
432.23187	1.7
433.24350	4.5
434.25146	0.5
442.17935	0.6
443.18771	1.5
444.19241	2.9
445.20001	12.4
446.20697	3.3
447.21588	3.5
449.23682	0.4
455.18298	0.4
457.20349	1.1
458.21201	1.7
459.21805	8.5
460.22531	10.7
461.23364	8.5
470.20978	0.5
471.22061	0.5
472.22440	1.0
473.24350	1.7
474.24402	0.4
475.21249	0.8
477.22714	0.9
487.25620	0.6
488.21686	0.5
489.22711	1.2
491.24533	0.6
492.25439	0.9
503.25171	0.7
505.21628	2.7
515.24072	0.6
517.22577	1.4
518.22662	0.6
519.24176	3.6
531.23975	2.9
532.24512	1.3
533.25482	1.2
537.37012	0.5
546.26483	2.8
547.27026	19.0
548.27545	1.0
574.26288	0.4
575.26825	1.6
577.23914	2.4
578.25122	1.1
585.25238	0.7
591.26086	3.6
605.27094	1.0
606.28247	13.2
607.29028	23.7
608.29333	1.0
617.27545	0.6
635.28534	100.0
636.28821	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	635.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.01855	0.6
55.05496	0.9
57.03411	0.7
57.07058	0.2
59.04991	0.3
61.02913	0.3
63.93785	0.2
67.01833	0.4
67.05492	1.5
68.99785	0.4
69.03417	20.4
69.07058	0.7
70.06569	0.4
71.01341	0.2
71.04989	0.3
71.62589	0.3
73.02897	0.3
79.05464	0.7
81.03404	0.9
81.07056	1.6
83.04973	0.6
85.02888	5.0
85.06518	0.4
86.09704	0.3
87.04475	0.2
91.05449	1.1
93.07044	0.9
94.57159	0.2
95.04961	1.4
95.08582	1.0
97.02874	56.6
97.06496	0.5
97.10155	0.4
98.03207	0.5
99.04394	0.3
105.06987	1.3
107.04970	0.4
107.08540	1.1
109.02842	0.6
109.06501	0.6
109.10131	1.9
111.00777	0.3
111.04413	0.6
111.08080	0.3
115.03893	2.2
119.04910	0.4
119.08556	0.9
121.02840	2.1
121.06474	0.4
121.10101	1.3
123.04410	2.1
123.08097	0.4
123.11674	0.5
124.68498	0.2
125.09612	0.6
127.03874	2.1
129.06931	0.3
131.08498	0.4
133.10075	0.8
135.04419	0.3
135.08002	0.6
135.11702	0.5
137.02325	0.6
137.09566	1.5
139.03903	1.4
139.11176	0.4
143.08620	0.2
145.02809	0.3
145.06488	0.3
147.04384	2.4
147.08047	1.1
147.11652	0.2
149.09546	0.3
151.03900	0.3
153.00568	0.2
153.01790	4.3
155.10695	0.3
157.04936	15.7
158.05338	0.3
159.11626	0.3
161.09613	0.3
163.03894	0.3
165.01749	1.5
165.09073	1.2
167.07033	0.5
167.10634	0.4
171.02879	1.3
171.04242	0.3
173.13280	0.3
175.05998	0.4
175.07568	0.2
177.05423	0.6
179.10568	0.2
183.02899	0.7
183.10104	0.7
185.05977	0.4
185.11740	0.2
191.03430	0.3
195.02888	0.7
203.06958	0.3
213.05431	0.8
217.07030	6.3
231.06517	0.7
241.04903	0.8
258.05240	1.0
259.06070	0.4
273.07574	2.1
283.09424	0.3
287.05444	100.0
288.05725	2.8
299.05405	0.5
309.13382	0.3
315.08463	0.3
365.06366	0.5
419.09653	9.4
419.27682	0.4
420.09921	0.4
553.70087	0.3
635.22473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05502	0.4
57.03410	0.5
59.04982	0.2
61.02914	0.4
62.29332	0.1
63.59867	0.2
67.01837	0.2
67.05495	0.8
68.99480	0.2
68.99809	0.3
69.03416	20.3
69.07051	0.4
70.03764	0.3
70.06568	0.2
70.11001	0.3
70.11395	0.5
70.57095	0.2
71.04983	0.3
72.54252	0.1
72.61176	0.2
73.02907	0.4
74.43790	0.2
75.60297	0.2
79.05487	0.5
81.03390	0.7
81.07055	0.7
82.18241	0.2
83.04957	0.4
83.08610	0.2
85.02888	6.0
85.06533	0.2
87.04442	0.2
90.40297	0.1
91.05479	0.5
93.07037	0.5
95.04420	0.2
95.04963	0.5
95.08588	0.6
97.02875	57.3
97.10129	0.2
98.03207	0.8
98.49056	0.2
105.03336	0.2
105.07018	0.7
107.04899	0.4
107.08596	0.6
109.02853	0.6
109.06527	0.2
109.10107	0.7
109.34737	0.2
111.00787	0.4
111.04436	0.5
111.08055	0.2
115.03904	2.5
119.04891	0.4
119.08537	0.5
120.08085	0.2
121.02842	1.8
121.06495	0.2
121.10141	0.7
123.04424	0.4
123.08083	0.2
123.11681	0.3
127.03899	1.7
131.08536	0.4
133.02821	0.2
133.10103	0.2
135.04443	0.2
135.07996	0.3
137.02315	0.7
137.09575	1.1
139.03874	0.8
139.11157	0.2
141.06992	0.2
145.06488	0.2
147.04376	2.0
147.11670	0.2
149.09561	0.2
153.01801	3.0
157.04933	16.3
158.05267	0.2
159.11627	0.3
161.05836	0.2
165.01855	1.2
165.09081	0.7
167.92683	0.2
171.02878	0.5
175.06047	0.3
177.05481	0.4
183.02866	0.8
185.05975	0.2
197.05905	0.2
202.10786	0.5
203.06915	0.2
213.05482	0.9
217.07030	5.7
231.06415	0.6
241.04909	0.5
241.08745	0.2
258.05157	0.7
259.06018	0.4
273.07596	0.7
287.05444	100.0
288.05780	3.4
299.05515	0.6
328.13864	0.3
365.06424	0.9
419.09634	9.2
420.10217	0.4
635.28796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3773
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
50.75937	0.2
51.02368	0.3
53.00312	0.2
53.03929	0.4
54.54591	0.2
55.01866	0.4
55.05256	0.3
55.05499	3.1
57.07053	0.5
59.04988	0.2
63.10546	0.2
65.03925	1.6
67.05155	0.4
67.05492	4.6
69.03402	1.0
69.07053	2.7
69.86734	1.5
71.04993	0.3
71.51062	0.2
77.03918	0.3
77.73011	0.2
79.05471	4.7
81.07037	11.8
81.71861	0.2
83.04960	3.1
83.08599	1.7
85.06516	0.5
91.05463	14.6
93.06455	0.4
93.07026	9.0
95.04966	2.0
95.08588	11.3
97.06499	0.7
97.10143	0.5
99.08076	0.6
105.07009	10.5
107.08572	13.3
109.06496	3.4
109.10133	7.8
111.08077	2.0
117.06987	2.1
119.04919	22.1
119.08556	15.3
120.05172	0.3
121.06490	0.6
121.10117	9.9
122.10387	0.2
123.08076	1.1
123.11674	3.6
125.05978	0.3
125.09602	4.4
127.07538	2.6
128.06151	0.6
129.06969	1.8
130.07701	0.2
131.08546	7.9
133.10106	10.8
135.08014	0.5
135.11656	4.6
136.08688	0.2
137.09586	1.4
137.13228	0.5
141.06938	0.4
142.07803	0.7
143.08545	5.2
144.09315	0.4
145.06412	0.3
145.10097	11.4
146.10657	0.3
147.04379	100.0
147.11658	6.7
148.04721	2.0
149.05951	0.3
149.09621	0.7
149.13217	2.7
151.07562	0.3
151.11116	1.4
155.08502	1.4
156.09311	1.0
157.10095	6.5
158.10844	0.7
159.08026	0.3
159.11661	11.2
160.11974	0.2
161.09529	0.4
161.13232	5.7
163.03856	0.7
163.07497	0.4
163.11162	0.7
163.14778	1.9
165.05449	8.9
165.12732	0.8
167.08510	0.5
168.09306	0.5
169.10085	2.7
170.10886	1.0
171.11671	5.8
172.12262	0.4
173.13231	7.9
175.11232	0.3
175.14790	5.1
177.09082	0.7
177.12685	0.9
177.16331	1.6
181.10068	1.0
182.10873	0.5
183.11662	3.4
184.12392	0.5
185.13211	11.1
186.13751	0.6
187.14783	12.2
188.15118	0.3
188.92052	0.2
189.09076	0.2
189.16338	3.5
191.10657	0.5
191.14276	1.6
191.17931	0.8
193.15857	0.7
194.10939	0.3
195.11705	1.6
196.12402	0.3
197.13223	4.0
198.13799	0.4
199.14784	8.2
200.15208	0.4
201.12665	0.5
201.16347	9.9
202.16571	0.3
203.14310	0.9
203.17862	1.2
205.12160	0.4
205.15823	2.9
209.13242	1.8
211.14784	3.7
212.15521	0.3
213.12952	0.5
213.16338	10.0
214.16884	0.4
215.14430	1.6
215.17853	2.4
217.15814	2.7
219.13882	0.6
219.17393	4.6
221.13283	0.6
221.15401	0.5
223.14748	0.9
225.16260	1.2
227.14299	0.4
227.17831	1.2
229.15817	0.9
231.13737	0.6
231.17307	1.6
233.13229	0.3
233.15337	0.8
233.18991	0.4
235.14769	0.4
237.16386	0.8
239.17947	1.7
241.19505	1.8
243.17398	0.3
245.15387	1.6
245.19096	0.4
247.14699	0.4
247.16904	1.1
249.16415	0.3
251.17953	0.8
253.19431	1.7
255.21075	0.8
257.15237	0.5
257.18973	0.4
259.16891	3.5
261.18628	0.3
263.17932	0.4
265.19455	1.0
267.21048	1.7
269.22610	0.4
273.18332	0.3
277.19366	0.5
279.21036	1.0
281.19507	0.2
281.22690	0.7
283.20792	0.3
285.18536	0.4
291.21005	0.4
297.18552	0.3
297.22089	0.3
299.20090	0.6
303.21381	0.2
305.22577	0.5
311.23767	0.4
323.23746	0.3
325.21454	0.5
331.24222	0.5
333.25870	0.3
335.23419	0.3
339.23337	0.4
347.27316	1.1
351.23169	0.4
387.30322	2.5
389.32141	0.4
393.27777	1.7
403.29898	0.5
405.31418	14.7
406.31900	0.4
407.33395	1.4
415.29880	1.4
421.30948	0.9
423.32501	1.1
433.30969	7.6
434.31079	0.5
441.33594	0.7
451.31995	16.4
452.32333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
55.05505	2.6
57.07063	0.8
58.12435	0.3
65.03910	1.4
67.05495	2.7
69.03401	0.5
69.07055	2.1
69.52053	0.8
69.52461	1.7
75.32080	0.2
79.05051	0.4
79.05481	4.1
80.06246	0.3
81.07044	11.0
83.04968	3.9
83.08599	1.4
85.06521	0.4
91.05468	17.0
93.07030	9.3
95.04962	1.4
95.08588	10.3
97.06522	0.5
97.10130	0.5
98.21543	0.7
99.08060	0.5
103.05445	0.3
103.89604	0.3
105.07013	11.1
107.08578	13.6
109.06502	2.7
109.10142	7.6
111.08070	1.4
115.05417	0.6
117.06992	1.7
119.04924	27.1
119.08557	16.2
120.05263	0.6
121.10123	9.8
123.08031	1.0
123.11687	2.9
125.09602	3.2
127.07528	1.7
128.06218	0.5
129.06982	1.5
130.07774	0.6
131.08551	7.1
133.10106	9.7
135.08011	0.3
135.11676	4.4
137.09587	0.8
137.13245	0.3
139.11188	0.4
141.06956	0.4
142.07759	0.7
143.08548	5.0
144.09338	0.6
145.10107	11.7
147.04387	100.0
147.11656	5.2
148.04733	1.8
149.09560	0.5
149.13214	2.3
151.11185	1.5
155.08554	1.1
156.09320	1.1
157.10101	5.4
158.10875	0.6
159.11682	10.2
161.13229	5.2
163.07526	0.6
163.11156	0.6
163.14795	1.8
165.05429	0.9
167.08508	0.4
168.09274	0.5
169.10115	2.3
170.10814	0.8
171.11649	5.7
172.12433	0.5
173.13225	6.1
175.11098	0.3
175.14806	4.6
177.09090	0.5
177.12732	0.5
177.16333	1.1
177.97073	0.3
179.14232	0.3
181.10095	0.7
182.10878	0.6
183.11674	2.9
184.12381	0.5
185.13239	8.8
185.14833	0.6
186.13837	0.5
187.14796	10.3
189.09062	0.4
189.16348	3.4
191.10672	0.4
191.14320	1.7
191.17902	1.1
193.15892	0.7
195.11697	1.4
197.13229	3.6
199.14790	7.6
201.16353	9.3
203.14307	0.6
203.17862	1.4
205.12396	0.4
205.15846	2.2
207.11800	0.4
209.13231	2.0
211.14746	3.9
213.12936	0.7
213.16350	8.4
215.14310	1.8
215.17921	2.5
217.15826	1.8
219.13876	0.5
219.17415	5.2
223.14801	0.7
225.16299	0.7
227.14345	0.5
227.17926	1.3
229.15854	0.9
229.19493	0.4
231.13759	0.8
231.17381	1.3
233.15372	0.8
233.18994	0.5
237.16360	0.7
239.17816	1.5
241.19432	1.9
243.17351	0.4
245.15292	1.9
247.16875	0.5
251.17859	0.6
253.19511	1.4
255.20961	1.0
259.16943	2.7
261.18518	0.5
265.19427	0.8
267.21002	2.1
279.21100	0.4
281.22769	0.4
283.20651	0.4
287.19986	0.3
293.22693	0.4
299.19977	0.7
309.25458	0.3
317.22760	0.4
319.24197	0.4
331.24313	0.4
335.23795	0.3
347.27209	0.5
387.30490	1.5
389.31927	0.7
393.27881	1.1
403.29898	0.3
405.31476	13.7
406.31769	1.0
407.33383	1.4
415.29895	0.6
421.31158	0.7
423.32510	0.4
433.30975	7.9
434.30988	0.4
451.32013	18.8
452.32516	0.9
487.83020	0.3
502.32764	0.3
546.81226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01862	2.2
55.05488	2.5
57.03415	1.9
65.03932	1.7
67.01862	4.5
67.05495	20.4
68.99776	3.2
69.03413	5.6
69.07048	2.2
69.92205	3.5
71.04974	1.5
79.05473	2.7
81.03403	14.1
81.07041	12.3
83.04959	1.2
83.08623	0.7
85.02898	6.6
91.05466	3.3
93.07042	5.5
95.04973	5.9
95.08584	8.9
97.02897	4.4
97.06514	1.5
99.04435	2.9
99.08072	1.5
105.06995	2.8
107.04937	50.9
107.08601	4.5
109.02127	0.7
109.02863	13.5
109.06512	2.4
109.10139	47.2
111.04408	2.3
113.05972	0.7
115.05428	0.8
119.04911	2.2
119.08567	5.3
121.02825	4.8
121.10137	2.0
123.04418	4.2
123.11673	1.1
125.02353	1.6
125.05954	2.9
127.03899	21.7
129.01817	0.7
131.04956	1.1
131.08577	0.8
133.10120	1.3
135.04387	7.4
135.08026	2.4
135.11691	0.9
137.02310	1.0
137.09593	100.0
138.09935	0.7
139.03882	2.4
139.11128	0.7
141.06937	1.1
145.04868	1.0
145.10107	1.2
147.03302	0.7
147.04385	2.9
147.08090	0.9
147.11687	1.8
149.02321	32.2
151.03859	2.0
153.01804	73.2
154.02235	0.8
155.10625	6.4
157.10057	0.8
159.08006	0.7
159.11839	0.7
161.13351	0.8
163.03827	4.3
165.01808	2.6
165.09088	80.7
166.08600	0.8
167.03389	6.9
169.06470	2.0
171.02873	19.8
171.04396	1.0
171.11809	0.6
173.02304	3.1
173.05933	1.1
175.03912	0.9
177.01848	3.6
177.05438	1.4
183.02834	2.0
183.08510	0.7
183.10147	5.5
187.03880	2.2
187.07570	0.9
188.03384	1.3
191.03397	3.4
195.02853	19.6
195.04602	1.2
197.05956	2.0
201.11176	11.3
205.04901	1.0
207.02882	0.8
213.05652	0.8
215.03412	3.6
215.06993	33.5
216.07410	0.8
217.01312	1.0
217.04887	0.8
219.02997	3.3
225.11256	1.0
231.02898	0.9
233.04393	0.8
237.03819	1.1
239.07031	5.4
241.04907	1.2
242.05698	1.4
243.02704	1.8
243.06490	31.7
244.06833	0.8
245.04474	1.0
253.08598	0.8
257.08026	3.3
261.03937	7.1
267.06445	3.7
267.12268	1.2
271.05984	20.9
273.07755	0.9
279.04999	1.9
281.08075	1.7
283.05875	1.7
285.07547	9.5
285.13251	1.2
289.07022	68.6
290.07483	0.8
291.12207	2.4
295.06036	2.2
305.07913	1.2
309.07568	1.6
309.13257	26.4
313.06970	7.5
327.14325	10.3
331.08075	12.7
337.06998	2.8
341.11331	2.0
351.08514	1.7
355.08072	4.3
379.08063	9.2
397.09171	9.3
415.09952	1.0
427.29767	0.7
433.74460	0.7
461.14212	2.3
579.18640	1.0
633.31738	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
52.50591	0.3
53.03927	0.6
55.01861	0.8
55.05486	1.1
57.03423	1.1
57.07058	0.3
65.03944	0.4
67.01514	0.4
67.01852	5.6
67.05493	7.4
68.99770	2.7
69.03421	2.3
69.07051	0.6
71.04974	0.6
79.05474	1.0
81.02966	0.4
81.03408	5.9
81.07043	5.0
83.01337	0.4
83.04973	0.7
85.02885	3.8
85.06490	0.3
89.03917	0.8
91.05465	1.7
93.07027	2.0
95.04381	0.5
95.04935	2.1
95.08588	3.5
97.02882	1.9
97.06500	0.5
99.04436	1.3
99.08087	0.3
104.48215	0.3
105.07002	1.0
107.04945	1.0
107.08569	2.0
109.02863	4.3
109.06497	1.2
109.10136	16.4
111.00751	1.5
111.04416	1.0
111.08013	0.3
115.05437	0.3
117.03370	1.6
119.04944	0.5
119.08586	1.6
120.64944	0.3
121.02858	0.6
121.06497	0.3
121.10139	1.0
123.04397	3.5
123.07996	0.3
123.11707	0.4
125.02325	1.0
125.05973	0.8
127.03891	3.6
129.01822	1.0
131.04915	0.4
131.08578	0.4
133.10049	0.5
135.04370	3.9
135.07994	1.4
135.11678	0.3
137.02304	0.8
137.05988	2.2
137.09593	34.6
138.09959	0.5
139.03889	0.9
145.02840	3.3
145.10103	0.6
147.04416	1.5
147.08087	0.3
147.11691	0.8
149.02269	0.3
151.03891	1.2
151.11096	0.3
153.01797	68.7
154.02170	0.4
154.86243	0.3
155.10654	1.9
155.26794	0.3
157.10158	0.3
159.04413	0.5
161.06000	0.6
163.03873	27.1
163.11195	0.6
164.04233	0.4
165.01808	1.4
165.09087	25.3
166.09406	0.3
167.03365	0.5
171.02853	37.1
177.01820	2.1
177.05386	0.5
179.03366	5.0
181.08595	0.3
183.02879	0.9
183.10124	2.1
187.03879	1.7
189.01776	0.5
191.03365	1.9
195.02861	19.6
201.11200	3.5
205.01395	0.3
205.04922	0.7
207.02798	0.4
208.24390	0.3
215.03416	1.6
217.01286	0.7
219.02878	2.5
221.04292	0.3
229.36807	0.3
233.04495	0.7
243.02783	2.3
247.05972	0.6
253.04987	0.3
257.73645	0.3
261.03903	5.8
267.12158	0.3
271.05942	1.3
273.07480	0.8
279.04919	0.5
285.13397	0.4
289.07010	100.0
290.07364	1.4
291.07751	0.3
291.12250	0.7
301.06995	0.7
309.13269	6.2
313.06995	2.9
327.14319	4.1
331.08066	6.8
346.36172	0.3
355.08163	3.1
367.07635	0.3
379.03680	0.5
379.08014	4.0
397.09113	6.4
415.10306	0.4
434.33163	0.4
461.14441	0.7
628.62988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	1.5
55.01854	0.4
55.05505	5.7
56.22523	0.3
56.80132	0.3
57.03433	8.2
57.07053	0.4
59.04967	0.4
61.02885	1.3
61.03173	0.3
65.03922	0.6
66.68703	0.4
66.72976	0.3
67.05497	28.3
69.03399	0.7
69.06722	0.5
69.07057	7.5
69.64131	0.6
69.64536	1.9
71.01353	2.2
71.04977	1.9
72.04761	0.3
73.02881	0.4
79.05482	23.2
81.03410	4.0
81.07046	12.5
83.04540	0.4
83.04970	5.6
83.08189	0.3
83.08609	3.0
85.02863	1.5
85.06531	2.0
91.03902	0.7
91.05472	9.6
93.07035	25.8
94.07339	0.5
95.04958	3.2
95.08597	4.2
97.02854	0.8
97.06521	6.8
97.10162	6.3
98.20824	0.7
99.04426	0.6
99.08072	1.1
103.05404	0.4
105.07015	3.3
107.04902	1.1
107.08582	18.2
109.06493	1.0
109.10143	9.3
111.08067	1.7
117.07024	2.6
119.04949	0.4
119.08575	4.7
121.06492	0.9
121.10129	4.4
123.08036	0.4
125.05943	0.4
125.09621	1.4
127.03953	0.4
129.06976	1.0
131.08537	0.4
133.10083	2.3
135.08067	0.7
135.11676	29.8
137.09589	1.2
143.08528	0.8
145.10101	4.8
147.04384	1.4
147.11664	1.8
148.04636	0.6
151.11172	0.4
153.12689	1.0
161.09605	0.5
161.13200	0.6
163.11148	4.5
171.11687	1.2
173.11725	1.0
180.59508	0.3
181.12228	6.3
193.12164	0.4
199.13235	0.9
207.13770	1.6
211.13327	0.4
229.14337	4.1
255.15887	45.2
281.17404	3.3
289.34689	0.4
402.70218	0.4
404.30490	0.3
435.27383	100.0
436.27649	1.3
439.26691	0.7
479.30368	0.5
561.37756	0.4
582.93115	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01871	0.1
58.85320	0.1
61.02903	0.3
65.03929	0.3
68.56427	0.1
69.03414	1.6
70.97543	0.1
70.97878	0.2
71.04976	0.2
81.03410	1.7
83.01320	0.1
85.02896	1.6
87.49487	0.1
91.05466	2.7
97.02872	2.7
99.04432	1.0
109.02862	5.2
109.51768	0.1
115.03872	0.1
119.04924	9.7
120.05224	0.1
121.02850	0.1
127.02941	0.1
127.03891	2.6
137.09500	0.1
139.03877	0.3
145.04921	0.6
147.04385	100.0
148.04730	1.3
157.06583	0.1
157.92062	0.1
169.04930	1.3
187.06026	1.1
205.07050	0.5
229.07062	0.3
243.06525	0.1
247.08194	0.4
261.07611	0.1
273.07513	0.6
315.08521	1.1
333.09760	0.4
351.10681	6.9
352.11057	0.1
393.12051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01865	0.2
62.98892	0.1
65.03910	0.4
69.03413	0.6
71.04971	0.3
71.62481	0.1
81.03407	1.6
85.02885	0.3
88.13391	0.1
91.05466	3.1
95.04972	0.1
97.02873	1.3
99.04438	1.8
103.03950	0.2
109.02865	3.8
115.03933	0.1
119.04924	10.8
120.05222	0.1
123.04452	0.2
127.03897	9.7
131.04875	0.1
139.03900	0.2
145.04924	0.7
145.06082	0.1
145.06433	0.1
147.04385	100.0
148.04727	1.1
165.05463	0.2
169.04936	1.0
177.05461	0.4
187.05992	1.9
201.05476	0.1
213.05585	0.1
227.06833	0.1
229.07027	3.7
243.06621	0.2
247.08101	2.1
261.07452	0.1
273.07529	1.4
291.08478	0.3
301.10596	0.1
315.08530	0.3
329.10056	0.1
333.09625	0.3
351.10699	5.1
393.11591	0.2
402.96234	0.1
425.83969	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	632.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52289	0.1
53.03934	0.3
65.03924	0.3
69.03418	0.4
71.04975	0.3
71.13522	0.2
71.13880	0.3
81.03403	1.7
85.02876	0.6
91.05467	2.7
93.07053	0.1
97.02863	1.4
99.04435	1.8
103.03900	0.3
109.02860	3.8
119.04921	9.7
127.03894	8.9
145.04959	0.7
147.04382	100.0
148.04749	1.0
157.76355	0.1
161.63797	0.1
165.05476	0.4
169.04944	1.0
187.06029	1.3
205.06787	0.1
229.06999	2.7
239.32047	0.1
247.08049	1.2
273.07501	0.9
289.09152	0.7
309.09631	4.3
315.08633	0.2
333.09671	0.3
343.40814	0.2
351.10660	4.7
538.82391	0.1
616.72925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2233
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.00855	0.4
55.01910	0.5
67.05518	1.2
69.07088	0.5
69.35622	1.7
69.36042	3.5
79.05536	0.8
81.07126	0.9
93.07096	1.0
95.08662	0.8
105.07074	1.2
107.08601	0.8
115.05568	0.5
138.66824	0.6
147.11696	0.6
147.24339	0.6
148.84360	0.5
148.91583	0.5
214.24483	0.5
238.02699	0.5
258.92151	0.5
304.11807	0.5
337.50122	0.5
385.12863	0.8
388.74957	0.5
396.12445	1.4
397.13190	1.9
398.13535	0.9
399.14575	1.4
400.15863	0.7
409.12695	0.6
410.13559	3.1
411.14478	6.3
412.15240	5.3
413.16092	5.1
414.16620	0.6
423.14459	1.8
424.10828	1.0
424.16122	3.0
425.16214	16.5
426.16888	10.1
427.17740	3.6
428.18518	3.7
437.16470	1.1
438.12354	3.9
439.13489	20.8
440.13895	1.9
440.19110	8.5
441.19260	41.7
442.19455	4.4
447.22876	0.6
452.14029	3.2
453.15338	24.0
454.15668	7.3
455.21606	0.8
456.18344	1.5
457.14600	0.9
463.14096	0.7
464.14316	0.6
467.17133	29.2
468.17831	22.6
469.18668	13.7
470.19067	1.8
471.16940	2.1
472.17474	0.7
478.16296	0.9
480.17535	1.8
481.14600	11.1
482.14584	2.8
483.15814	1.0
484.21423	3.3
485.17938	1.9
486.18686	1.0
494.18307	0.7
495.16678	2.8
495.21689	0.6
496.16977	17.6
497.17279	3.5
498.18808	1.8
499.20352	1.2
500.20676	4.9
501.21176	0.6
507.84683	0.6
508.18701	0.7
509.18906	1.4
510.18930	0.7
512.20984	3.2
512.62738	0.5
513.21613	7.6
514.21881	1.0
523.19598	2.1
525.21313	1.0
526.18317	0.6
528.19751	1.7
537.18738	1.6
541.20795	43.6
542.21094	4.0
553.20917	0.9
554.17590	0.7
559.21826	0.7
569.20227	99.5
570.20502	9.3
573.23456	3.1
597.19604	33.2
598.19934	2.9
600.21497	1.1
601.22864	14.3
602.23279	1.0
615.20605	1.5
629.22150	100.0
630.22528	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	629.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
57.07045	1.0
67.04279	0.6
67.05493	3.2
69.07038	1.3
71.08620	0.7
71.62578	1.1
71.62981	1.1
79.05470	2.8
79.85284	0.6
80.78861	0.6
81.03390	0.9
81.07031	2.8
82.07387	0.8
83.04968	1.7
83.08606	0.9
86.46001	0.7
91.05464	2.7
93.07029	2.4
95.08585	2.2
99.51073	0.6
105.07024	2.4
107.08568	1.8
109.10130	1.9
117.06979	1.3
119.08572	1.5
121.10126	2.0
123.11704	0.8
133.10112	1.0
135.11696	0.7
147.11627	0.7
161.13298	1.0
193.35757	0.7
224.02069	0.7
269.17651	0.8
313.27359	1.5
424.15070	1.5
425.16165	3.3
426.16748	3.1
427.17700	2.1
435.55750	0.7
438.12451	1.0
439.17828	6.6
440.18411	6.5
441.18790	1.4
442.19922	1.0
452.14697	3.1
453.15323	21.0
454.15814	2.8
454.20493	2.5
455.14374	0.9
455.20834	23.4
456.21191	3.8
466.16211	2.9
467.16797	24.8
467.37308	0.8
468.17389	8.3
480.17737	0.9
481.18646	8.1
482.19034	50.2
483.19452	4.8
484.17346	1.0
485.17865	1.3
486.19125	1.1
494.18484	1.1
495.20270	1.3
496.20428	0.9
499.19504	1.0
500.19946	1.2
509.20081	0.7
513.21155	0.7
514.21704	2.8
523.21338	2.1
525.23016	0.8
526.21362	0.8
528.23370	2.6
541.24384	2.8
553.21930	9.4
554.21448	1.4
569.23877	69.3
570.24255	5.7
597.23022	1.5
600.22076	1.7
601.26556	3.2
629.25684	100.0
630.25787	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	628.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01253	2.8
53.03942	9.1
55.01867	20.6
55.05505	43.4
56.81426	2.5
57.03422	27.5
59.04991	2.5
63.45771	2.4
65.03922	5.6
67.05494	100.0
68.05830	2.4
69.03419	8.0
69.07056	65.3
71.04985	9.3
79.05482	71.9
81.03404	60.5
81.03851	4.6
81.07044	94.2
82.35294	2.1
83.04964	25.5
83.08610	32.7
85.02899	21.5
85.06538	4.3
91.05465	84.0
93.07026	72.2
95.04956	40.1
95.08592	51.8
95.79249	2.8
97.02877	5.7
97.06495	25.6
97.10139	13.6
99.04459	2.7
99.08073	3.6
101.06042	2.7
101.68447	2.3
101.85599	2.4
103.05425	3.1
105.06367	5.0
105.07015	61.5
107.04940	21.7
107.08565	40.4
109.06492	12.2
109.10139	32.6
111.08060	13.3
113.06023	3.0
116.04688	3.1
117.07009	16.8
119.08560	51.5
119.09352	5.0
121.06481	8.5
121.10133	25.4
123.08057	12.9
123.11721	6.1
125.09641	16.3
129.05458	11.3
129.06956	19.2
131.08549	34.5
133.06490	6.2
133.10112	45.4
135.08064	6.1
135.11699	13.7
137.09621	18.6
139.45059	2.6
141.07001	4.2
142.07788	3.6
143.06932	3.1
143.08527	7.0
145.10103	19.0
147.08075	6.3
147.11673	27.6
149.09592	24.2
149.13260	8.7
151.11169	5.6
155.08475	2.5
157.08682	5.9
157.10115	17.4
159.11670	11.4
161.09636	4.8
161.13203	6.5
163.11169	14.3
165.12689	3.6
169.10051	3.2
171.10229	2.7
171.11592	5.7
173.11714	7.5
173.13242	7.2
175.11150	18.0
179.14276	5.7
185.13280	4.1
187.11084	5.2
187.14807	2.7
189.11145	5.6
193.12204	48.2
201.33400	2.6
211.13246	51.3
223.13379	4.1
227.12749	12.3
229.14207	5.2
229.83722	3.3
247.20511	3.4
253.14377	8.0
255.15894	4.5
257.18985	9.7
267.15851	24.5
269.17474	4.0
273.18539	4.7
275.20029	41.4
285.16946	41.4
291.19513	8.0
293.21204	5.2
301.16382	17.8
349.23669	53.6
365.23184	4.3
375.97479	3.0
381.22864	4.9
439.26932	6.7
463.30908	5.4
481.27524	3.1
495.29282	10.6
507.28766	3.3
541.34930	8.8
557.34442	3.1
559.36169	30.8
575.35706	8.5
628.40033	10.6
629.25055	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	628.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.9
53.50203	2.4
54.70078	2.3
55.01860	15.7
55.05252	3.9
55.05504	49.4
57.03430	23.2
57.07056	6.3
59.04993	2.1
62.70850	1.9
65.03927	2.9
67.05498	97.6
69.03429	12.6
69.07054	38.9
70.06573	9.1
71.01340	5.2
71.04975	9.3
71.62877	2.6
79.05484	91.0
81.03411	61.0
81.07047	100.0
82.04152	2.8
83.04973	30.7
83.08607	35.8
85.02895	12.4
85.06522	9.3
87.04431	2.5
88.07623	11.4
91.05467	86.8
93.07031	74.6
95.04958	43.3
95.08601	45.3
97.02876	5.3
97.06524	23.0
97.10144	15.0
98.07298	5.1
99.04443	3.3
99.08060	4.8
102.09150	8.6
105.07021	60.9
107.04940	19.0
107.08581	45.6
109.06496	14.7
109.10157	21.8
111.04456	3.8
111.08059	17.0
113.05971	3.2
113.89991	2.3
115.05432	4.9
116.04710	7.9
117.05576	2.1
117.07026	17.2
119.08578	41.1
121.06468	8.6
121.10121	25.0
123.08035	16.3
123.11700	6.1
125.09601	12.8
127.07512	3.4
127.77014	2.8
129.05473	20.3
129.06958	13.3
131.08560	30.0
133.06450	5.0
133.10110	44.8
135.08029	7.1
135.11676	30.2
137.09587	7.2
143.07040	3.9
143.08521	6.0
144.39505	2.3
145.10098	23.5
147.08043	6.1
147.11668	20.4
149.02278	6.2
149.09581	15.1
149.13257	10.6
151.11159	5.1
157.08615	8.0
157.10118	18.7
159.11688	14.3
161.09596	3.7
161.13304	6.0
163.03897	8.3
163.11186	12.9
165.12683	4.9
171.10239	4.7
171.11664	5.8
173.13237	3.5
175.11185	16.7
177.12750	3.3
181.12199	3.4
184.07335	2.7
188.22540	2.6
189.11186	4.1
193.04945	7.2
193.12219	47.5
193.13831	4.0
195.13855	4.3
199.13248	5.5
202.85449	2.3
207.06480	28.0
209.11678	4.3
211.13289	31.3
227.12726	10.2
231.17308	2.7
239.11665	3.6
243.11223	12.1
244.11594	8.0
253.14343	4.2
255.15823	24.0
256.26367	18.3
257.19083	3.3
267.11313	4.5
267.15903	23.6
268.11591	5.2
269.17499	21.6
273.18338	4.1
275.20056	19.3
285.16977	23.7
299.14810	3.4
301.16425	42.1
325.15219	4.5
326.15863	5.4
328.14056	2.9
344.14075	2.8
349.13797	3.6
349.23691	12.0
356.54816	2.6
399.10532	17.3
400.11505	2.6
423.27475	3.3
438.20410	3.0
447.27615	3.3
453.28406	3.0
462.23511	2.8
465.28506	4.5
466.19061	11.3
478.29251	4.4
479.21072	2.4
479.29614	4.5
480.21478	5.0
481.22278	4.2
481.27966	9.6
491.20718	2.9
492.21207	3.4
495.29398	27.0
508.24457	3.8
536.23608	8.9
550.24896	11.7
568.26300	60.8
569.26959	3.3
575.36084	5.6
587.29510	7.3
593.35590	4.2
596.25800	84.4
597.25690	5.9
628.27728	40.8
628.35132	32.7
629.27820	5.8
653.17792	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	627.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
53.03928	5.8
54.00070	0.8
55.01620	1.1
55.01863	20.5
55.05504	24.7
56.08393	0.8
57.03429	14.7
57.07063	2.5
58.97559	0.9
65.03920	5.0
67.05493	76.7
69.03410	2.6
69.07056	39.6
71.04974	3.2
77.03941	1.0
79.05480	55.0
81.03398	7.4
81.07042	92.6
83.04963	8.0
83.08601	10.8
85.06532	2.7
91.05464	64.3
93.07028	63.2
95.01308	8.0
95.04946	13.0
95.08591	59.4
97.06515	36.0
97.10148	5.1
99.08066	1.8
103.05444	2.2
105.07013	76.6
107.04936	17.9
107.08575	32.4
109.06503	9.5
109.09444	1.8
109.10141	21.2
111.08064	4.2
113.09607	2.1
114.58421	0.9
117.06992	16.6
119.08560	42.0
121.06470	3.9
121.10114	22.2
123.04393	1.7
123.08065	4.7
123.11683	4.6
125.09660	2.2
126.73031	1.0
127.74635	0.9
129.06976	2.6
131.08545	27.4
133.10107	43.5
135.08023	4.6
135.11646	14.5
137.09579	3.1
137.13214	1.2
139.07504	1.7
141.06927	1.1
143.08510	3.7
145.06425	2.5
145.10092	22.2
147.08084	1.2
147.11667	18.2
149.09590	6.9
149.13232	6.8
151.11172	2.6
155.08525	2.0
157.10112	3.1
159.08133	1.1
159.11670	14.8
161.09654	1.5
161.13249	7.2
163.11130	4.2
163.14830	2.4
165.09119	1.8
169.10065	1.4
171.11674	3.0
173.13167	5.6
175.11153	2.2
175.14851	1.5
177.12666	4.3
179.14297	14.0
183.11717	2.1
185.13210	1.9
187.11125	2.6
187.14784	2.7
189.12698	1.6
195.13863	1.3
197.13261	2.6
209.15436	1.1
211.14931	1.1
215.17950	1.2
219.13950	1.5
219.17413	20.5
229.19467	2.0
235.93413	1.0
239.17931	1.9
243.20877	1.1
247.20538	2.6
257.18964	8.7
261.22046	4.2
269.17496	1.2
275.20016	83.9
276.20319	1.7
279.15796	1.0
291.19403	1.2
293.21124	5.7
317.24661	2.0
333.24304	1.0
335.25735	100.0
349.23642	25.1
349.27957	1.0
388.13470	1.0
401.03354	1.0
484.39468	1.1
515.36499	1.0
529.38831	6.4
578.69647	1.0
609.45020	96.3
610.45306	1.7
627.46521	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	627.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.4
51.94593	1.4
53.03936	6.0
55.01861	12.4
55.05499	35.7
57.03424	9.1
57.07060	2.7
59.04982	1.2
65.03923	5.8
67.05489	85.7
69.03405	3.2
69.06705	2.6
69.07050	28.4
69.78351	1.3
69.78670	9.6
71.04986	4.4
71.08610	2.8
79.05474	64.2
80.05815	1.8
81.03403	4.2
81.07037	100.0
81.63069	1.3
82.07397	1.6
83.04968	8.3
83.08596	15.3
85.06522	4.6
89.70992	1.3
91.05459	51.9
93.07021	66.3
95.04958	13.1
95.08582	57.4
97.06506	19.8
97.10131	10.6
98.20789	2.7
99.08061	2.8
105.04559	2.0
105.07001	47.5
107.04922	10.6
107.08560	41.5
107.09272	2.7
109.06499	10.3
109.10129	27.2
111.08066	6.2
113.09593	1.4
115.05379	2.8
117.06971	15.8
119.08554	35.9
121.06491	3.0
121.10118	31.8
123.08035	7.1
123.11676	10.1
125.09592	6.4
128.06197	1.9
129.06967	7.6
131.08534	23.6
133.10097	29.5
135.04344	1.5
135.08061	5.8
135.11641	16.4
137.09608	2.9
137.13243	2.5
139.11150	1.4
141.06947	2.5
142.07741	2.2
143.08548	9.6
145.06464	1.4
145.10089	24.4
147.08189	1.5
147.11655	21.1
149.09561	15.4
149.10553	1.5
149.13235	9.8
151.11156	3.2
153.12778	2.0
154.34676	1.8
155.08562	5.2
157.10048	8.5
159.11674	18.4
161.09612	3.2
161.13235	9.3
163.11130	8.3
163.14815	4.7
165.12729	3.6
167.08487	1.9
169.10069	6.4
171.11659	7.3
173.13193	10.5
175.11147	1.6
175.14838	4.3
177.12709	3.4
177.16322	1.9
181.10143	1.8
181.76730	1.3
183.11720	5.5
185.11819	1.4
185.13258	7.1
187.11211	1.8
187.14835	4.8
189.11165	3.0
189.12744	1.7
191.14378	1.4
195.11795	1.9
197.13254	4.4
199.14833	3.5
201.12645	1.4
201.16327	2.7
211.14909	1.5
213.16341	1.9
215.17780	1.7
217.15868	1.5
227.12776	5.3
229.19617	2.8
235.14923	1.3
239.17996	5.3
241.19460	2.0
247.17009	1.5
247.20695	3.2
257.18912	10.0
259.20520	4.9
261.22177	6.2
263.20465	1.4
267.15878	2.6
275.19992	57.6
277.21692	3.5
293.21115	6.0
333.24377	2.9
335.25708	36.4
349.23636	25.5
351.25357	1.7
367.24734	2.8
367.29932	2.0
447.18103	3.0
451.17349	2.1
499.38220	1.6
515.37122	2.5
517.40344	2.0
529.38574	5.1
535.41705	6.2
553.42566	2.8
555.40314	1.8
567.25024	9.6
568.26306	2.2
594.24036	1.8
609.45007	51.5
627.28699	21.5
627.46082	80.1
628.28058	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	627.461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
55.01858	15.4
55.05499	26.3
57.03408	12.9
57.07052	6.9
65.03918	4.1
65.14983	2.5
67.05168	5.3
67.05495	72.9
69.07056	39.2
71.04964	5.9
71.08621	39.7
71.63289	3.6
79.05482	65.5
81.03401	6.9
81.06570	5.0
81.07043	100.0
83.04954	12.5
83.08611	18.6
91.05465	74.2
93.06467	3.8
93.07030	76.4
95.04967	18.9
95.08594	61.3
96.08885	3.3
97.06509	22.1
97.10150	7.8
99.08070	22.9
103.05470	2.6
103.18967	2.8
105.07009	64.7
107.04910	15.1
107.08585	37.2
109.06483	11.9
109.10126	22.8
111.08030	6.2
117.07007	21.5
119.08555	46.3
121.10127	29.6
123.08076	7.3
123.11690	7.8
125.09589	3.2
129.06982	10.9
131.08563	34.1
133.10107	33.5
135.11649	24.0
137.09592	6.7
141.06888	4.1
143.08510	16.3
145.10100	30.0
147.11659	26.1
149.09604	5.6
149.13222	11.5
151.11116	5.9
155.08496	7.9
157.10092	15.8
159.11678	19.2
161.09514	3.1
161.13228	23.6
163.11192	6.2
163.14777	3.9
169.10097	9.0
171.11633	14.1
173.13216	12.4
175.14767	9.8
177.12750	3.2
177.31755	2.7
179.14301	33.1
181.09987	4.3
183.11697	7.8
185.13251	15.9
187.11046	3.6
187.14796	4.4
195.11720	4.5
196.66833	2.8
197.13264	8.8
199.14832	7.0
201.16364	5.3
203.14301	3.1
215.17929	3.6
217.19672	3.6
239.18022	4.2
241.19498	12.8
243.21040	5.0
257.19034	6.4
259.20532	19.7
261.22061	9.1
275.20004	34.8
277.21552	23.2
293.20929	4.0
315.23038	3.1
317.24524	4.2
333.24109	19.3
335.25763	24.5
349.23712	25.0
351.25238	19.0
437.33957	8.7
461.45474	2.9
511.37360	10.5
513.35010	4.0
515.37360	7.8
529.38959	13.4
535.40894	6.8
553.42188	6.3
609.45056	92.9
627.27814	3.5
627.36646	4.1
627.46106	76.5
627.65845	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3368
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
52.92960	1.8
53.03944	8.2
55.01862	6.3
55.05511	28.7
57.03434	22.4
57.07070	3.1
59.04982	2.3
61.35712	1.8
65.03925	4.2
67.05499	65.7
69.03429	22.3
69.07060	19.7
69.97149	5.9
69.97555	5.1
70.06590	4.1
71.01343	4.1
71.04992	9.9
73.02906	2.5
79.05054	4.0
79.05492	57.2
79.05956	3.7
80.05800	2.6
81.03413	100.0
81.07053	48.8
83.04974	41.4
83.08615	25.7
85.02903	19.5
85.06543	6.4
87.04497	2.2
91.01927	2.2
91.05476	47.9
93.07039	64.0
95.04961	33.7
95.08603	21.5
97.02878	13.1
97.06533	16.0
97.10165	15.0
98.20862	2.1
99.04456	5.9
99.08096	4.7
103.03924	2.3
105.07019	28.4
107.04954	11.4
107.08588	46.4
109.02868	12.1
109.06517	9.8
109.10143	17.2
111.04461	13.5
111.08060	13.4
113.05979	2.2
115.09901	1.9
117.07032	8.6
119.08569	27.0
120.08119	2.9
120.44686	1.8
121.06509	6.4
121.10149	16.5
123.04417	5.0
123.08044	4.2
123.11739	4.2
125.09636	7.5
127.03883	14.7
128.06117	2.2
129.05502	10.5
129.07001	10.8
131.04890	2.1
131.08589	13.7
133.06483	5.4
133.10115	19.7
135.04405	1.8
135.08061	4.9
135.11678	54.0
137.09628	5.2
142.07803	2.8
143.08504	2.4
145.06485	3.0
145.10069	10.9
147.04395	8.2
147.08020	5.2
147.11685	19.5
149.09601	7.9
151.03749	1.9
151.11238	3.2
153.12770	3.1
155.08505	3.1
157.10077	11.9
159.11676	3.2
161.09630	2.2
163.03867	1.8
163.11189	10.3
165.05461	4.1
165.12790	3.6
167.07068	4.8
167.08443	1.8
171.11646	2.4
171.67432	1.9
172.04005	4.4
173.05959	2.5
175.11153	14.6
177.05380	3.4
179.03394	5.9
179.10680	2.2
181.12234	11.1
187.14822	2.5
191.03397	2.1
191.10614	2.0
193.12224	36.2
193.13840	2.9
197.13345	2.5
204.06567	3.3
211.13274	51.5
227.12767	5.1
229.14331	2.5
247.13443	2.7
249.14787	2.4
255.15891	87.0
267.15912	37.1
285.16965	20.4
299.09064	4.8
301.14236	3.7
325.16385	3.1
337.10983	2.2
355.17542	5.6
363.18164	2.8
373.23679	4.1
399.20126	7.3
421.25632	3.2
429.21332	14.7
447.27356	79.0
460.22485	2.7
465.28412	66.1
490.18680	2.1
504.20938	3.6
573.31250	3.1
591.31628	4.6
595.25201	5.0
609.32684	69.0
610.32269	2.8
627.26691	9.6
627.34308	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.28
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
53.03910	0.5
55.01868	0.5
55.05499	1.0
57.03420	0.4
64.51030	0.4
67.05501	2.7
68.58981	0.5
69.07050	0.9
70.05845	2.3
79.05470	1.7
81.03428	0.5
81.07035	1.4
83.04986	0.6
91.05466	1.9
93.07033	2.0
94.06572	0.5
95.04966	1.0
95.08609	1.0
97.06561	0.5
97.10133	0.5
98.20824	0.6
99.57809	0.5
105.06979	1.2
106.06581	0.6
107.08584	1.7
108.08117	0.7
109.10163	0.6
117.07009	0.7
117.77484	0.4
119.08591	1.1
120.04446	0.7
121.06512	0.6
122.06037	0.5
125.09425	0.5
128.97525	0.4
129.07076	0.5
131.07297	1.0
133.10127	0.9
136.07556	1.4
138.09111	0.9
143.08568	0.5
144.08087	0.6
145.10095	0.7
146.09573	0.6
147.11746	0.5
158.08441	0.6
170.09587	0.6
174.09117	3.0
187.08696	1.0
187.12341	2.7
188.10724	1.6
190.05098	0.5
198.09135	0.9
199.12378	0.6
200.10709	0.7
211.08716	1.1
212.09489	1.2
213.10165	0.8
215.11865	2.3
223.08607	0.6
225.10193	3.4
226.11069	0.5
227.11781	2.3
235.08670	1.1
236.09499	0.5
237.10204	0.9
238.10835	0.8
239.11798	2.1
240.12471	0.7
241.09636	0.6
241.13358	2.0
243.11270	18.4
249.10220	1.2
251.11813	0.7
253.09816	1.5
253.14212	0.6
255.11253	0.6
263.11859	0.7
267.11276	6.2
269.12961	1.7
277.09628	1.9
279.11380	0.8
285.12354	1.9
295.10800	1.9
299.14139	1.0
301.12317	0.8
301.15369	2.6
304.10815	0.5
309.12219	2.2
311.14063	0.6
313.12225	1.1
314.13000	1.7
315.13858	0.6
316.10922	1.1
316.14349	0.8
317.11584	0.7
319.10699	1.3
320.14111	0.8
325.15430	5.4
327.13553	4.2
328.10712	1.6
328.14511	2.3
329.11563	1.2
329.15201	0.7
330.12393	2.0
330.16019	0.9
331.13202	0.8
332.14188	0.7
334.15475	1.4
340.10614	0.7
341.11841	0.7
342.12567	2.3
343.13138	2.6
344.13940	2.1
344.17554	0.6
345.14746	0.9
346.15549	1.7
348.13397	2.9
351.13290	1.0
352.14166	0.5
354.12482	1.3
356.13919	3.3
357.14667	1.8
358.11554	0.7
358.15524	2.3
360.17053	1.1
366.18311	0.7
370.11575	0.8
370.15570	1.8
371.16422	0.7
372.17178	3.3
374.14734	0.7
384.17249	1.2
386.14481	0.9
386.18573	1.7
398.14981	0.6
399.15689	0.6
400.16669	2.7
402.14807	0.7
403.15817	1.0
405.16782	0.6
407.14920	0.9
408.16187	0.6
412.16440	0.7
414.18375	0.6
415.15106	0.7
416.16095	0.6
417.17084	0.7
418.17673	0.8
419.18817	1.1
421.17001	0.8
422.17706	0.9
430.17664	1.3
431.18451	1.6
432.19308	3.5
433.20493	0.7
435.14532	1.6
437.19775	2.0
444.19220	0.6
447.22592	2.8
449.15186	1.1
449.20505	1.3
450.16998	1.3
451.17615	1.7
460.18588	1.0
461.23950	0.7
462.24020	1.8
463.22015	2.8
464.18933	1.5
465.18900	12.6
467.16663	1.3
472.18570	0.7
474.20175	0.9
475.21497	0.6
476.19806	1.0
477.19156	1.0
478.20084	1.6
479.20602	4.6
480.21536	3.3
481.22418	2.9
489.22678	1.4
490.19318	0.9
491.20761	0.9
492.21313	2.1
493.22879	3.0
495.16443	3.9
502.20114	0.6
504.21198	1.7
505.22653	0.6
506.22565	0.9
507.23828	4.9
509.21420	0.6
517.22333	1.7
520.21167	1.4
521.25610	0.7
522.23419	0.6
529.37219	0.9
535.23358	4.5
541.23926	1.0
549.24908	8.9
550.23029	0.7
552.23767	0.7
553.24554	1.9
563.23175	0.8
567.25958	45.9
568.26294	1.3
577.24512	0.7
595.25427	32.7
627.28046	100.0
628.20813	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	627.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01863	0.3
55.05495	0.4
57.03423	0.5
65.06171	0.2
67.01864	1.0
67.05480	0.7
68.99781	0.6
69.03409	1.2
69.07051	0.6
69.36348	1.9
71.04982	0.5
73.02885	0.3
78.04682	0.3
79.05474	0.8
80.85424	0.2
81.03405	3.8
81.07043	1.3
83.04964	0.4
83.07894	0.2
83.42279	0.2
85.02892	2.0
85.06539	0.6
86.09679	0.3
89.03899	4.3
89.19089	0.2
91.05482	1.0
93.07027	1.0
95.04940	0.6
95.08597	0.8
97.02876	0.6
97.10163	0.3
99.04433	0.4
105.03445	0.2
105.07008	1.0
106.04163	0.3
107.04958	0.5
107.08582	1.3
109.02855	1.8
109.06503	0.2
109.10126	0.7
111.00775	0.3
111.04402	0.2
111.08059	0.2
117.03361	14.5
117.06993	0.2
118.03668	0.3
119.04882	0.5
119.08566	0.6
121.02877	0.3
121.06467	0.3
121.10119	0.9
123.04417	1.4
123.08034	0.4
125.09612	0.4
125.43002	0.2
127.03881	0.8
131.08559	0.3
133.06494	0.4
133.10106	0.5
134.03635	0.8
135.04451	1.4
135.11629	0.3
137.05933	0.8
143.08531	0.3
145.02820	40.8
145.10017	0.5
146.03145	0.9
147.04379	1.1
147.11639	0.3
149.05959	5.7
149.13234	0.5
151.03871	0.5
151.11279	0.2
153.01804	10.4
157.10168	0.2
158.06100	0.3
159.11649	0.2
161.05962	0.3
162.03143	0.3
163.03870	2.3
165.01823	0.6
165.05444	0.3
167.07008	0.5
171.02863	7.6
173.13232	0.4
175.14818	0.2
177.05438	100.0
178.05765	1.9
179.03372	0.6
183.02695	0.2
184.07339	0.4
186.05449	1.2
193.08632	0.3
195.02861	5.7
195.06477	1.1
205.01302	0.7
205.08562	0.3
215.03362	0.4
252.30412	0.2
261.03922	0.9
273.07474	0.7
287.05502	0.7
289.03751	0.4
289.06995	7.8
290.07593	0.3
301.06796	0.3
313.06989	0.3
313.17911	1.0
321.09607	4.8
331.08087	2.2
339.10681	3.9
341.06366	0.3
367.07574	0.3
379.07803	0.4
397.09238	0.7
429.29785	0.5
447.30905	0.3
465.22937	1.0
534.04401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01852	0.5
57.03413	0.9
59.44484	0.2
61.02919	0.9
62.78254	0.1
66.04111	0.1
67.05488	0.3
68.99782	0.2
69.03419	2.6
69.42342	1.0
71.04958	0.6
73.02890	0.3
81.03401	1.2
83.01324	0.2
85.02891	8.8
87.04427	0.2
91.03922	0.6
93.03370	0.3
95.04913	0.4
95.08595	0.2
97.02882	2.2
98.20618	0.2
99.04430	0.5
107.08553	0.2
109.02854	1.1
111.00786	0.9
111.04466	0.2
119.08504	0.2
121.02852	1.0
123.04395	0.4
127.03894	1.9
128.04179	0.2
129.05530	0.2
135.04367	0.2
137.02333	2.4
137.03363	0.1
137.09601	0.5
142.10518	0.2
144.54732	0.2
145.04929	2.5
145.06020	0.3
147.04372	0.3
149.02290	0.3
153.01796	2.8
161.05937	0.2
163.03854	0.4
163.06004	0.4
165.01833	2.0
166.02640	0.1
168.74763	0.2
173.05858	0.2
177.05389	0.3
183.02858	0.6
187.03963	0.2
201.05408	1.3
213.05417	0.2
219.02902	0.2
219.06520	0.2
229.04919	3.5
247.06001	0.5
257.04413	2.6
271.50790	0.2
274.04596	0.6
285.03900	1.2
303.04938	100.0
304.05292	3.0
315.04883	0.2
319.04556	0.4
345.06009	0.5
345.32480	0.2
393.25952	0.2
411.27206	0.2
459.34387	0.2
465.10229	8.3
466.10449	0.3
481.09521	0.3
552.45831	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.6
55.01856	2.4
55.05502	3.3
57.03430	11.9
59.04985	1.4
61.02919	3.6
67.05492	2.0
69.03420	16.8
69.07058	7.4
69.76559	2.3
69.76967	1.0
71.01336	3.2
71.04984	62.4
73.02908	27.0
75.04465	6.2
79.05479	1.2
81.03394	2.9
81.07034	2.0
83.04968	18.5
84.50522	0.5
85.02893	100.0
86.03233	1.3
86.06026	0.7
87.04443	3.7
93.07047	0.8
95.04959	2.0
95.08569	0.8
97.02877	24.4
99.04453	3.0
101.05961	1.0
103.03930	3.8
105.07038	0.7
109.02875	2.1
109.10180	0.8
111.04429	13.5
113.02347	1.0
113.06007	2.2
115.03912	25.5
121.10184	0.7
123.04380	1.5
123.11709	5.9
125.05944	0.9
127.03919	6.0
129.05463	44.5
133.04959	8.2
133.06537	0.8
137.05962	1.0
139.03906	4.1
145.02838	1.0
145.04944	4.8
146.08101	0.6
147.06505	31.2
148.06903	0.9
149.04471	1.6
151.03885	1.4
151.11176	7.3
153.05531	1.3
157.04961	1.8
162.07596	0.5
163.06015	1.7
164.09158	0.9
165.05484	1.2
165.07573	2.5
167.07082	0.6
169.04932	4.9
171.06540	2.3
175.06029	1.0
177.05455	3.2
179.07057	0.7
181.04910	1.0
183.06543	1.0
187.06013	2.5
195.06519	1.4
199.05960	0.7
207.06509	0.9
213.07541	1.3
223.05864	1.1
225.07547	14.0
231.08562	1.3
237.07533	0.6
241.07166	0.7
243.08601	14.0
255.08626	1.7
259.08090	1.8
261.09698	5.9
273.09714	2.9
279.10699	12.3
279.13501	1.0
280.11292	0.7
283.15335	2.5
287.05582	0.6
295.09775	0.7
297.17026	1.5
309.11859	3.1
326.14456	0.6
390.32062	0.6
396.07623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01856	0.3
57.03408	0.5
61.02921	0.8
65.03938	0.1
68.99778	0.3
69.03419	2.4
71.04984	0.2
71.61974	0.2
73.02911	0.4
80.48396	0.1
81.03402	1.3
85.02895	7.0
86.03226	0.1
87.04438	0.3
90.22163	0.1
91.03936	0.4
91.05470	0.2
93.03424	0.1
93.06998	0.2
95.04951	0.3
97.02886	2.2
98.97559	0.2
99.04448	0.4
106.97234	0.1
107.89256	0.1
109.02885	0.9
111.00775	0.7
115.03947	0.2
116.56546	0.1
116.98609	0.2
120.08071	0.2
121.02859	0.9
121.06478	0.3
121.10128	0.1
123.04451	0.1
127.03905	1.4
133.10132	0.3
137.02318	2.7
137.05939	0.2
138.09123	0.6
145.02968	0.1
145.04936	1.5
147.04388	0.1
149.02316	0.3
151.03856	0.1
153.01804	2.7
158.99580	0.1
161.05952	0.2
163.03870	0.6
165.01828	1.6
166.02567	0.3
169.38643	0.1
173.05983	0.3
177.00697	0.2
177.05493	0.2
183.02879	0.8
183.04257	0.2
191.03369	0.2
191.06877	0.1
195.02934	0.2
201.05435	1.0
205.04964	0.2
215.03333	0.2
219.03090	0.1
219.06563	0.3
221.07500	0.2
229.04938	3.5
230.05481	0.2
237.02466	0.1
247.06015	0.7
257.04440	2.3
274.04706	0.5
275.05597	0.3
285.03934	1.1
286.04337	0.2
303.04947	100.0
304.05280	4.6
339.11035	0.2
345.06006	0.2
424.18582	2.8
424.68762	0.8
437.19165	0.3
465.10236	10.6
465.17941	0.5
466.10764	0.9
501.64856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01859	27.8
55.05498	22.6
55.11602	0.7
57.03423	7.4
57.07066	3.9
62.22763	0.7
63.11830	0.7
65.03939	3.8
67.05489	54.6
69.03410	2.0
69.07052	71.4
69.26904	0.8
70.07365	1.0
71.04978	3.8
71.08617	1.7
73.06531	1.1
79.05476	44.1
81.03385	5.0
81.07038	61.3
82.07365	1.0
83.04951	8.1
83.08599	13.4
85.06508	2.9
91.05460	51.0
92.05767	0.9
93.07021	44.2
94.07353	1.0
95.01303	5.3
95.04943	10.6
95.08585	39.9
97.02894	0.8
97.06508	37.2
97.10162	5.9
98.20718	1.9
99.08063	3.0
103.05433	2.1
105.04493	1.1
105.07004	66.7
106.07374	1.1
107.04927	16.3
107.08569	28.9
109.06477	5.6
109.10125	14.6
111.08075	3.7
112.08735	1.2
113.09675	1.3
115.05429	2.0
116.06265	0.9
117.06989	20.8
119.08550	48.2
121.06490	3.3
121.10113	18.2
123.08065	5.5
123.11686	3.5
123.96349	0.8
125.09597	6.6
127.07545	1.0
127.88310	0.8
128.06163	3.7
129.05476	1.0
129.06970	14.9
129.89287	0.7
130.07744	1.8
131.08536	34.8
133.06429	1.8
133.10101	41.0
134.10545	0.8
135.08067	3.9
135.11659	11.7
137.09604	3.1
137.13235	1.0
139.11147	1.9
141.06937	7.5
141.11304	5.7
142.07758	3.1
142.41727	0.9
143.08525	22.0
144.09331	1.1
145.06458	2.6
145.10088	31.0
147.08025	3.0
147.11652	25.3
149.09598	9.3
149.13242	6.8
151.11172	2.4
153.07028	1.1
153.09085	1.0
154.07777	1.5
155.08531	13.0
156.09317	2.2
157.10097	22.3
159.08060	2.2
159.11667	27.2
161.09589	2.2
161.13211	18.3
163.11137	5.7
163.14745	2.8
165.06999	1.8
165.09062	1.0
165.12703	1.6
167.08490	5.2
168.09273	2.3
169.10081	17.2
170.10941	1.1
171.08023	1.6
171.10159	1.9
171.11633	22.1
173.09657	1.6
173.13235	16.1
173.31622	0.9
174.13672	0.9
175.11186	3.5
175.14809	10.8
177.12712	4.7
179.08533	2.6
179.14259	7.7
181.10107	9.3
183.11644	16.0
185.09627	2.0
185.13217	17.4
187.11171	4.7
187.14775	7.9
189.12753	1.8
189.16235	1.6
191.14377	0.9
193.10149	2.0
194.10953	0.9
195.11674	8.7
195.13515	1.1
197.13214	9.1
199.11179	2.5
199.14790	7.8
201.12659	1.3
201.16364	3.2
203.14378	1.3
203.18037	1.1
205.12195	1.5
205.15891	0.9
207.11618	1.8
209.13243	6.2
210.13892	1.0
211.11330	1.4
211.14778	6.3
213.12660	2.1
213.16330	5.5
215.14317	1.5
215.17966	2.1
217.15822	1.9
217.19437	2.3
219.13821	0.9
221.13278	3.9
223.14835	5.0
225.16376	3.3
227.14383	1.8
227.17979	2.0
229.19560	1.3
231.17447	1.5
231.21082	3.0
233.13228	1.2
233.19011	1.1
235.14778	3.3
237.16362	3.0
239.14249	1.2
239.18037	3.8
239.73589	0.8
241.14240	1.3
241.19444	19.5
245.19025	1.5
247.20546	1.5
249.16435	1.7
251.17982	1.1
257.14960	0.8
257.18997	8.9
259.20496	25.4
260.21118	1.0
261.21960	1.0
265.19528	1.9
269.18964	0.8
273.18442	3.1
275.20016	44.5
276.20374	1.6
277.21680	3.2
279.15909	2.6
281.22598	0.9
283.20724	1.7
283.23831	1.0
285.21777	1.6
291.19476	2.1
293.20953	4.2
295.20599	1.0
297.22156	2.9
299.19965	0.9
311.23654	2.6
313.21536	1.9
313.24918	1.1
315.23203	4.9
321.22043	1.7
323.23740	1.5
325.21805	1.2
325.25510	2.3
329.28122	1.1
331.22742	1.7
333.24173	24.4
334.24625	1.9
337.25241	1.0
341.24768	1.4
347.22525	1.0
349.23682	32.4
351.25864	2.2
353.24454	1.0
355.26419	0.9
363.26480	1.2
365.24368	1.3
377.28177	1.4
403.30002	1.0
409.30688	1.2
417.31610	1.1
419.33032	2.9
421.22742	1.0
421.30893	1.4
435.21161	1.1
435.32523	6.8
437.34073	14.4
438.34479	1.0
453.34628	1.8
455.35352	1.7
463.31607	1.7
475.35699	1.3
481.33041	1.7
483.34457	2.1
493.36584	2.4
495.34769	1.5
501.35651	3.0
505.40396	1.3
509.35965	3.8
511.37634	14.3
513.35626	8.6
515.38654	6.4
527.37207	9.0
529.38885	8.0
530.39410	1.1
533.39911	10.7
537.35602	1.8
551.40857	7.0
555.36316	4.1
556.37860	3.8
565.27698	3.6
569.41522	1.0
589.42505	2.8
597.45123	2.9
607.35699	1.3
607.43396	69.9
608.43842	5.7
625.29572	15.0
625.44464	100.0
626.29218	1.1
626.44830	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	625.445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76065	0.6
53.03950	2.9
55.01612	0.8
55.01865	9.0
55.05503	24.5
57.03431	6.7
57.07079	3.0
59.04983	1.4
65.03920	2.6
65.04224	0.5
67.05495	50.7
68.05836	1.0
69.03427	2.3
69.07062	23.9
71.04977	4.3
71.08613	0.7
73.02864	0.7
79.05484	31.1
80.05773	1.3
81.03398	3.6
81.07047	47.1
82.07380	0.9
83.04976	4.6
83.08604	15.8
85.06551	3.4
91.05468	32.1
93.07032	34.9
95.04967	7.7
95.08593	34.8
96.08923	0.7
97.06520	9.8
97.10149	8.9
98.20721	2.2
98.98450	1.2
99.08081	2.3
103.05457	1.1
105.04509	1.1
105.07014	33.8
106.07329	0.7
107.04951	3.6
107.08582	22.9
108.08910	0.6
109.06515	4.1
109.10140	20.5
111.04339	0.6
111.08093	3.7
113.09619	0.8
115.05434	1.7
117.07001	17.5
117.07829	1.0
119.08566	24.8
121.06479	2.4
121.10120	14.7
123.08057	2.6
123.11689	6.7
125.09627	6.0
126.85398	0.6
128.06201	3.2
129.05475	1.1
129.06990	15.5
130.07820	1.0
131.07561	1.3
131.08553	25.8
133.06442	1.5
133.10114	19.8
135.08029	3.4
135.11678	8.4
135.37457	0.6
137.09625	2.3
137.13223	1.1
139.11192	1.3
141.06964	5.9
142.07777	2.8
143.08536	19.1
144.09279	2.0
145.06485	1.9
145.10101	22.4
147.08029	1.8
147.11665	13.5
147.12773	1.1
149.09612	5.3
149.13252	4.3
151.11169	1.3
153.06947	1.6
153.12814	1.1
154.07782	1.0
155.08521	11.7
156.09334	2.1
157.06406	0.7
157.10106	19.3
159.08080	2.1
159.11674	16.4
161.09595	2.1
161.13254	8.1
163.11201	3.7
163.14790	2.5
165.06987	1.5
165.12790	0.8
167.08545	6.0
168.09384	1.2
169.10109	14.5
170.10883	1.3
171.07982	0.8
171.11661	16.7
172.12117	0.8
173.09615	2.0
173.11716	2.5
173.13260	10.1
175.11165	2.0
175.14819	3.3
177.12700	1.8
179.08578	1.7
179.14326	1.2
180.09253	0.8
181.10089	7.3
182.10881	1.4
183.11661	14.7
184.12375	1.0
185.09589	0.8
185.13226	12.1
187.11185	2.2
187.13327	1.3
187.14822	4.4
189.11218	2.3
189.12773	1.4
189.16388	1.4
192.09331	0.7
193.10146	2.6
194.10840	0.9
195.11671	8.4
196.12410	1.4
197.13214	11.0
198.13950	0.9
199.11203	1.6
199.13150	1.0
199.14809	7.7
201.12741	1.6
201.16321	2.9
203.14453	1.1
205.10072	1.0
205.15869	0.7
207.11726	3.2
207.13571	0.8
208.12328	0.9
209.13237	7.4
211.11139	0.9
211.14761	6.5
213.12888	0.9
213.16350	5.2
215.14348	0.8
215.17989	1.7
217.15855	0.6
219.11609	0.9
220.12543	0.6
221.13234	2.7
221.15152	0.6
223.14807	6.1
225.16408	4.2
227.12631	2.9
227.18082	2.9
229.14310	2.5
229.16246	0.7
229.19502	0.8
231.21013	0.8
233.13239	1.0
233.15382	1.0
235.14825	2.7
237.16338	3.6
239.17979	3.1
241.15953	1.1
241.19545	3.5
243.17679	0.9
243.21071	1.2
245.18996	1.1
247.14749	1.1
247.20665	0.6
249.16429	1.2
249.18694	0.9
251.18002	2.1
253.19551	2.2
255.17445	1.4
255.21091	1.0
257.19058	2.7
259.20566	6.1
261.22061	0.8
263.17966	1.7
265.19513	2.0
267.21097	1.1
271.20587	1.2
273.18497	3.2
275.20044	7.1
277.19183	1.1
277.21936	1.1
279.20950	1.1
283.20520	1.2
285.18631	0.7
285.22156	1.3
289.21866	1.0
291.19638	1.2
295.20514	1.2
297.22037	1.3
301.21744	1.3
301.25238	0.9
305.22495	0.8
309.22122	1.4
311.20050	1.0
311.23499	1.2
313.21585	1.3
315.23196	2.3
323.23441	0.8
325.21606	1.0
325.25150	1.0
327.23080	1.3
333.24216	4.7
337.25189	0.8
339.26926	0.8
341.24765	1.5
343.22659	0.7
349.23700	4.8
351.26447	0.7
355.26654	0.8
363.26794	2.0
365.28476	3.2
367.26205	1.0
379.29996	2.7
381.27484	1.1
381.31708	1.6
383.29446	1.4
393.27670	1.1
395.29486	1.0
403.29782	1.2
405.26801	0.8
419.28360	1.0
421.31027	2.6
435.32407	1.3
439.31979	2.1
445.30905	1.1
453.33789	1.7
459.32480	1.2
463.31601	0.7
495.34848	2.0
497.37027	1.1
499.34427	1.1
505.40649	1.0
509.36063	1.4
511.37381	1.1
513.35730	15.5
514.35699	1.2
515.38843	6.4
519.23981	1.3
527.37268	11.4
528.37555	1.1
533.40033	7.0
537.35858	1.6
538.36469	0.7
539.36719	0.9
543.37134	0.7
547.23419	1.0
551.41040	5.7
553.38861	1.2
555.36713	1.9
565.27655	1.5
567.40753	0.8
569.40448	0.9
579.26123	2.7
589.42542	3.0
597.44684	1.8
607.43475	43.3
608.43738	4.0
625.29706	5.6
625.44513	100.0
626.28882	1.1
626.44824	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	625.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.7
53.03926	2.2
55.01866	9.6
55.05502	24.7
57.03431	5.9
57.07064	3.4
59.04976	1.6
60.53472	0.6
65.03924	2.8
67.05495	47.3
69.03407	2.2
69.07058	25.8
70.18530	0.7
71.04961	3.9
71.08630	0.8
76.76398	0.7
77.03925	0.9
79.05480	33.2
81.03395	2.7
81.07047	49.2
83.04957	4.5
83.08603	12.6
85.06533	2.8
86.09710	2.1
91.05466	32.2
92.05789	0.7
93.07030	34.1
95.04957	6.3
95.08594	30.3
96.08898	0.7
97.06516	9.6
97.10147	7.9
98.21615	1.6
99.08082	2.1
103.05452	1.2
105.04521	0.7
105.07015	34.7
107.04938	3.9
107.08577	24.3
109.06512	4.1
109.10143	19.2
111.08081	3.7
113.09645	1.3
115.05441	2.8
117.07007	15.3
119.08566	25.6
121.06476	2.6
121.10126	12.9
123.08063	2.4
123.11677	7.6
125.09621	7.3
127.13900	0.8
128.06184	3.3
129.06995	14.0
129.07901	1.3
130.07774	1.0
131.08551	22.4
133.06482	1.4
133.10115	18.0
133.11061	1.2
135.08041	3.2
135.11676	9.0
137.09621	2.5
139.11162	2.5
140.14293	0.9
141.06995	4.5
142.07753	4.1
143.08545	19.3
144.09340	1.2
145.06500	1.3
145.10097	23.0
146.10620	0.7
147.08015	2.0
147.11670	13.3
149.09575	4.0
149.13232	3.5
151.11200	1.6
153.06956	0.8
153.12677	0.7
154.07771	1.8
155.08536	12.1
156.09390	2.0
157.10106	18.2
158.10794	0.7
159.08047	1.7
159.11662	16.7
161.09605	2.6
161.13257	7.5
163.11205	3.1
163.14816	1.5
165.06989	1.5
165.12730	1.3
166.07738	0.9
167.08554	6.0
168.09348	0.8
169.10103	14.5
170.10947	1.4
171.07999	1.9
171.10220	0.9
171.11652	15.3
173.11819	1.2
173.13216	9.7
175.11176	1.7
175.14793	3.1
177.12737	1.3
179.08572	2.9
179.14305	1.1
180.09265	0.7
181.10117	7.0
182.10840	1.6
183.10190	1.4
183.11682	14.3
185.09657	1.3
185.13216	10.5
187.11200	1.9
187.13257	1.6
187.14845	4.7
189.11200	2.6
189.12738	1.1
189.16423	1.6
193.10071	3.6
194.10788	1.0
195.11691	7.6
196.12445	1.1
197.13269	11.0
199.11147	1.5
199.14780	7.6
201.16374	3.5
203.18036	0.9
205.10153	1.0
207.11725	3.2
209.13254	8.7
211.14830	7.0
213.12819	0.9
213.16411	4.7
215.17970	1.2
217.15971	0.9
219.11778	1.7
221.13138	3.7
222.14034	0.9
223.14854	5.0
225.12814	0.7
225.16370	3.4
227.12767	3.1
227.17967	2.8
229.14217	1.3
229.19466	0.8
229.92180	0.9
231.17407	1.2
233.13213	2.0
235.14854	2.9
235.17001	0.7
237.16475	3.9
239.17944	3.5
241.19475	3.4
243.15907	2.0
243.21088	1.0
247.14705	1.1
249.16455	2.1
251.17960	1.7
253.19522	2.5
255.21156	1.5
257.19012	3.3
259.20435	6.0
261.22168	1.2
263.17792	1.0
263.20139	0.8
265.19534	1.5
267.21262	1.5
269.19247	0.8
271.20743	1.0
273.18637	1.7
275.20132	9.0
277.19357	1.6
283.20483	1.8
285.22061	1.1
289.21692	1.1
291.19781	1.5
295.20450	1.3
297.22134	2.0
299.23849	0.8
301.21588	0.9
309.22235	1.2
311.20023	0.9
311.23566	0.9
313.21634	1.8
315.23273	1.9
319.20572	1.1
321.22266	1.0
323.23685	1.4
325.21695	1.0
325.25208	1.6
327.23340	0.9
333.24542	3.7
339.23236	1.4
341.24725	1.3
347.23041	0.8
349.23712	4.9
351.26617	0.8
353.24747	0.8
355.26382	0.9
365.24686	1.2
365.28537	4.3
367.26181	2.0
379.30121	1.5
381.31693	2.0
383.29465	1.5
389.28311	1.0
395.29041	1.2
403.30167	1.2
421.31171	3.8
429.30502	1.1
439.32086	2.4
445.30707	1.3
453.33881	0.9
463.31888	1.2
477.33392	0.8
495.34540	2.0
497.37219	1.2
511.37891	1.1
513.35699	13.9
515.38892	7.0
525.35352	0.8
527.37360	3.8
533.39832	8.5
537.35834	0.9
538.36334	0.8
543.36713	1.1
551.41034	5.1
553.39343	1.1
555.36957	1.7
567.39935	0.9
589.42407	2.9
597.44482	2.1
607.43481	48.0
608.44440	3.4
625.44537	100.0
626.45306	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	625.445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.9
55.01860	18.2
55.05503	24.6
57.03421	6.2
57.07056	3.2
59.04973	0.9
64.92709	0.8
65.03922	3.4
67.05489	53.3
67.46886	0.8
69.03413	2.7
69.07054	54.4
71.04978	4.4
71.05304	0.8
71.08633	1.3
73.88091	0.8
77.03923	1.3
79.05475	40.3
81.03410	5.9
81.07038	54.6
83.04970	7.2
83.08600	12.5
84.38297	0.8
85.06502	2.6
91.05462	46.7
93.07022	43.8
95.01315	3.8
95.04944	8.5
95.08586	35.1
97.06513	24.3
97.10151	6.1
99.04427	1.0
99.08076	3.3
103.05460	1.9
105.04495	1.5
105.07009	49.7
107.04939	10.3
107.08575	26.7
109.06511	5.3
109.10133	16.7
111.08073	2.9
115.05467	2.9
117.06986	18.0
119.04883	0.9
119.08555	37.8
121.06498	3.8
121.10115	16.4
123.08066	4.7
123.11705	3.8
125.09599	5.6
127.07522	1.2
128.06204	3.3
129.06967	14.8
130.07733	1.5
131.08543	30.4
133.06465	1.3
133.10104	29.4
135.08031	4.0
135.11661	12.2
135.35045	0.9
137.09610	3.4
139.11157	0.9
141.06926	5.7
142.07770	3.4
143.08533	19.2
144.09291	1.6
145.06453	2.3
145.10085	26.4
146.10434	1.0
147.08025	2.4
147.11652	19.0
149.09607	6.7
149.13280	5.8
151.11189	2.2
153.07010	0.9
154.07703	1.0
155.08514	11.4
156.09276	2.0
157.06470	1.0
157.10095	18.2
159.08043	1.8
159.11668	20.4
161.09602	1.9
161.13222	14.5
163.11151	5.3
163.14807	2.8
165.07004	1.5
165.09145	1.2
165.12733	1.8
167.08455	4.2
168.09363	1.3
169.10081	14.2
170.10808	1.0
171.08025	1.3
171.10138	2.2
171.11629	16.8
173.09584	1.4
173.13206	12.7
175.11197	2.6
175.14799	5.8
177.12767	2.7
179.08554	1.9
179.14288	3.4
181.10097	6.9
182.10855	1.5
183.11646	12.4
185.09610	2.4
185.13211	14.1
187.11171	2.0
187.14781	7.4
189.12746	2.0
189.16368	1.6
193.10152	3.2
193.12164	1.0
195.11658	8.7
195.13275	1.1
197.09619	1.0
197.13200	8.8
199.11200	2.2
199.13261	1.5
199.14821	6.7
201.12566	1.4
201.16388	2.7
205.12239	1.0
207.11688	2.8
208.12555	1.0
209.13251	6.5
211.14806	6.4
213.12704	1.3
213.16396	4.3
215.14417	1.5
215.17989	2.5
217.15881	1.5
217.19539	1.8
219.11798	1.4
221.13184	3.1
221.15187	1.0
223.14838	4.8
224.77457	0.9
225.16345	3.2
227.17955	1.9
229.19530	1.1
231.17590	1.5
231.21075	1.1
233.15303	1.1
235.14819	2.0
237.16418	3.4
239.14319	1.7
239.17979	3.9
241.19514	8.3
245.19064	1.6
247.14812	1.4
247.20667	1.0
249.16351	1.2
251.17906	2.6
252.18132	0.9
253.19597	1.6
255.17310	1.2
256.59290	1.0
257.18982	4.7
259.20508	14.1
261.22110	1.1
263.20209	1.0
265.19608	1.7
267.21194	0.9
271.20560	1.7
273.18579	2.6
275.20004	25.6
276.20395	1.6
277.21680	2.0
279.21191	1.3
279.72604	1.0
283.20435	1.1
285.21994	1.0
287.20316	1.0
289.21674	1.4
291.19470	2.2
293.21234	2.9
295.20432	1.3
297.22150	2.1
299.23724	1.1
303.23489	0.9
311.23782	2.2
313.21677	1.8
315.23117	4.7
323.23572	1.5
325.25150	1.4
327.26797	1.0
331.22699	1.7
333.24310	12.9
339.23029	1.3
345.24216	1.2
347.22534	1.4
349.23676	19.3
351.25958	1.1
355.26300	1.2
367.26007	1.1
377.28244	1.8
403.29337	1.3
419.33240	2.0
421.30927	2.4
435.32657	4.5
437.34210	7.7
439.32025	1.4
445.30765	1.2
459.31750	1.7
479.20389	1.1
481.33121	1.1
483.35046	1.1
493.36957	1.7
495.34549	1.3
501.21857	0.9
501.35657	2.2
505.22589	1.1
509.36258	3.0
511.37869	9.1
513.35706	10.4
515.38599	5.6
527.37213	8.2
528.37299	1.1
529.38770	3.5
533.39801	9.4
537.35840	1.6
551.40857	4.7
553.38806	1.3
555.36676	3.2
556.37579	2.3
565.24341	3.6
589.42462	1.9
597.44946	2.3
607.35565	1.0
607.43445	50.2
608.43756	5.2
625.27899	13.7
625.44482	100.0
626.26935	2.4
626.45074	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	625.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29277	1.2
53.03933	2.7
55.01864	6.2
55.05501	24.4
57.03426	5.0
57.07055	3.4
59.04993	1.0
65.03917	1.9
65.72621	0.9
67.05492	41.8
69.03397	1.8
69.06715	1.5
69.07056	19.7
71.04976	4.9
79.05479	31.0
81.03391	5.8
81.07043	45.1
82.07342	1.6
83.04957	5.7
83.08608	13.2
84.74967	1.0
85.02948	1.1
85.06532	2.9
91.05466	27.4
91.06000	1.9
93.07028	26.3
94.07341	1.5
95.04950	8.0
95.08591	24.5
97.06521	7.1
97.10150	13.3
97.98941	0.9
98.98479	1.5
99.04460	1.2
99.08053	1.3
103.05446	1.2
105.07010	25.7
107.04942	3.9
107.08575	20.4
109.06512	4.6
109.10131	19.3
110.10521	1.0
111.08067	2.8
115.05435	2.4
116.99809	1.0
117.07013	12.8
119.08566	20.9
121.06454	1.6
121.10127	11.4
123.08086	2.9
123.11696	10.8
125.09589	10.0
128.06201	3.0
129.06993	13.7
130.07816	1.2
131.08543	19.9
133.06464	1.1
133.10121	17.0
135.08067	3.9
135.11674	7.4
137.09581	1.2
137.13202	1.6
141.06953	5.6
142.07748	4.0
143.08537	17.1
145.06465	1.2
145.10106	18.0
146.10596	1.1
147.08026	2.3
147.11656	9.9
149.09607	3.2
149.13248	4.6
151.11086	1.8
153.09128	1.6
154.07751	1.3
155.08517	11.0
156.09312	2.5
157.10100	17.9
159.11664	16.0
161.09573	1.6
161.13231	5.0
163.11148	1.7
163.14903	1.0
165.07014	1.5
167.08601	3.7
168.09329	1.9
169.10106	12.0
171.10188	2.3
171.11641	16.0
173.09589	1.4
173.11853	1.7
173.13272	6.4
175.11060	1.0
175.14819	2.8
177.12743	1.6
177.16260	1.2
179.08586	1.6
181.10063	6.1
182.10899	1.6
183.11655	15.0
185.13194	9.8
187.11191	1.4
187.13206	3.0
187.14827	5.0
189.11224	4.8
193.10226	2.1
193.12282	2.6
194.10875	1.1
195.11656	7.7
195.13428	1.0
197.13243	10.7
199.11089	1.2
199.14769	8.3
201.16359	1.8
207.11688	3.9
209.13225	7.5
211.14851	7.9
213.16428	4.4
215.17987	2.1
221.13226	3.3
221.15211	1.0
223.14880	4.1
225.16370	4.4
227.12704	6.1
227.17975	2.6
229.19539	1.6
235.14819	3.3
237.16443	2.9
239.17941	3.8
241.19545	3.6
243.15965	3.2
251.17963	2.6
253.19604	2.3
257.19031	2.8
259.20590	3.4
265.19394	1.5
267.20874	1.4
273.18765	1.3
275.20050	5.1
279.21182	1.6
285.22379	1.5
309.22128	1.9
313.21747	1.7
325.25067	1.1
327.23267	1.6
331.23096	1.2
333.24152	2.0
349.24194	2.3
353.24542	1.3
363.26752	1.8
365.28391	8.3
381.31516	3.2
383.29434	3.0
395.29333	1.1
421.31165	2.7
431.62582	1.2
439.32144	3.8
488.27951	1.2
509.35400	1.4
513.35651	10.8
515.38727	4.4
527.37225	18.1
533.39777	8.5
551.41278	5.4
553.39307	1.2
589.42682	2.8
593.24670	1.7
607.25665	4.3
607.43475	39.4
608.24207	1.6
608.43842	2.7
625.26593	6.1
625.44495	100.0
626.44812	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	625.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05505	1.3
57.03413	0.5
67.05493	2.7
69.07047	1.0
69.34727	1.0
69.35155	1.6
79.05473	2.5
81.03403	0.6
81.07049	2.9
83.04947	0.3
83.08600	0.6
85.06523	0.5
88.21024	0.2
89.04025	0.3
91.05459	2.2
93.07015	2.5
93.07424	0.2
95.04949	0.6
95.08582	2.2
97.06535	0.8
97.10150	0.4
105.07024	2.3
107.04980	0.4
107.08556	1.4
109.06529	0.6
109.10146	0.9
116.60545	0.3
117.07014	0.8
119.08558	1.8
121.10156	0.8
123.08057	0.3
125.09584	0.3
129.07018	0.7
131.08563	1.2
133.06448	0.3
133.10100	1.0
135.08014	0.4
135.11639	0.5
136.13084	0.2
141.06940	0.3
143.08534	0.6
145.10107	1.0
147.11694	1.0
149.09644	0.4
155.08560	0.4
157.10126	0.8
159.11742	0.8
161.13264	0.4
163.11140	0.3
165.12723	0.3
171.11630	0.6
173.13318	0.4
175.11043	0.3
185.13231	0.3
189.12718	0.3
259.20328	0.3
273.18546	0.7
275.20151	0.7
276.20331	0.4
291.19687	0.3
391.19223	0.8
392.19879	0.3
403.19473	0.4
404.19855	0.4
405.16299	0.4
405.21347	1.5
406.21524	1.1
407.22314	0.9
418.17212	1.4
419.17630	1.4
419.22733	1.0
420.23428	3.3
421.24146	0.8
423.21918	0.5
431.18219	0.4
432.19119	1.7
433.19910	5.3
434.20874	2.0
435.13446	0.4
435.21973	0.9
437.23407	1.0
446.20770	1.2
447.21561	5.0
448.22684	2.3
449.19461	2.7
450.16934	1.5
451.25403	2.8
452.25644	0.8
460.22632	0.4
461.23096	0.4
463.20615	3.1
464.21817	2.5
465.22845	3.4
477.23187	2.8
478.23700	6.4
479.24713	7.7
491.24789	2.0
492.25113	0.6
495.24075	0.4
505.25674	1.2
510.26205	0.6
519.24164	0.8
520.24628	0.3
521.26166	0.4
523.22614	2.3
527.37311	2.5
533.25470	0.4
534.26141	0.9
535.26624	1.1
536.20898	0.9
537.25665	1.1
547.23242	0.4
551.26373	0.7
565.28333	29.1
566.28015	2.3
593.27307	1.2
594.28552	0.4
595.28162	0.4
597.30518	0.5
607.25726	0.5
607.43201	0.8
625.30103	100.0
626.30487	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.2
53.03937	5.7
55.01860	21.9
55.05498	24.6
57.03431	8.2
57.07056	2.7
59.04985	1.4
65.03917	4.3
67.05492	62.3
69.03406	3.8
69.07054	66.5
69.67979	7.6
71.04970	4.0
71.08607	2.1
77.03858	1.3
78.35246	1.1
79.04996	1.5
79.05476	52.6
81.03403	7.4
81.07043	64.2
83.04960	10.8
83.08602	10.9
85.06518	2.4
91.05462	65.5
93.07026	50.8
95.01305	6.5
95.04955	17.8
95.08590	45.8
95.09068	0.7
96.08881	1.0
97.06509	26.5
97.10154	7.5
99.08037	3.1
103.05463	1.9
105.04475	2.3
105.07009	65.3
107.04932	16.4
107.08575	32.1
109.06510	8.2
109.10133	17.0
111.08051	4.3
115.05423	3.2
116.06227	1.3
117.06998	22.1
119.08560	53.8
121.06493	5.9
121.10115	19.4
123.04386	2.5
123.08032	6.9
123.11672	2.5
125.09591	6.5
127.07439	1.1
128.06198	5.4
129.05449	1.1
129.06981	15.2
130.07771	2.2
130.22331	1.2
131.08546	34.8
132.18501	1.1
133.06467	2.0
133.09099	2.1
133.10101	38.2
135.08014	4.7
135.11658	15.1
137.06056	1.3
137.09543	4.2
139.07419	1.4
141.06969	3.8
142.07777	3.1
143.08522	22.6
145.06461	3.5
145.10089	29.1
145.86893	1.2
147.08026	3.8
147.11650	26.2
149.09564	8.2
149.13223	6.3
151.11113	2.1
155.08513	7.7
156.09270	1.9
157.10092	17.7
159.08040	2.7
159.11655	19.3
161.09575	2.0
161.13239	14.3
163.11176	6.2
163.14774	2.0
165.09035	1.5
167.08516	4.6
169.10103	12.4
171.08160	1.2
171.10257	1.7
171.11650	20.5
173.09476	1.3
173.13226	15.7
175.11137	2.5
175.14771	8.0
177.12724	5.4
179.08492	2.7
179.14262	6.0
181.10056	6.7
183.11646	12.5
185.09586	2.2
185.13199	14.1
187.11084	3.0
187.14799	7.4
189.12704	2.2
189.16344	1.6
191.14365	1.7
193.10231	1.4
195.11694	7.2
195.13506	1.2
197.13235	10.6
198.13640	1.1
199.11214	2.4
199.14778	7.0
201.12714	2.3
201.16316	3.0
203.57744	1.1
205.12213	1.4
207.11659	2.6
209.13345	5.6
211.14775	5.5
213.16457	5.7
215.14240	1.1
215.17868	2.3
217.15747	1.9
217.19611	1.6
219.17372	1.6
221.13194	3.3
223.13103	2.1
223.15015	1.8
225.12775	1.3
225.16365	2.7
229.19386	1.5
231.21048	2.8
233.13199	1.5
235.14752	1.5
237.16339	2.8
239.17912	3.2
241.19460	14.4
242.19630	1.4
249.14598	1.7
253.19588	1.7
255.17490	1.5
257.19086	6.6
259.20520	20.9
271.20566	1.4
273.18414	9.4
275.20026	39.2
277.21661	2.3
279.15912	1.3
291.19470	22.6
293.21100	3.1
297.22070	2.0
298.74432	1.1
308.64304	1.0
309.21555	1.1
313.21536	2.3
315.23279	5.4
321.22144	1.2
325.21588	1.2
325.25290	1.3
333.20349	2.2
333.24191	27.3
335.25748	3.6
335.98328	1.1
339.22916	1.2
347.22037	3.7
349.23679	30.6
350.24042	1.6
353.24435	1.5
363.26135	1.6
377.16681	1.6
419.32874	2.6
422.23898	2.4
423.21689	2.4
431.21359	2.1
433.19882	2.0
434.20325	1.6
435.20569	1.9
435.32565	5.4
437.34222	9.9
447.17828	1.4
448.18185	3.0
449.18579	4.1
450.23669	2.2
451.23550	1.4
454.22440	1.3
455.35062	1.8
463.20172	3.8
465.22495	2.7
476.21545	2.8
477.22491	5.5
478.22647	11.4
479.22470	1.6
487.23407	1.7
493.21591	1.4
493.36679	1.7
501.35620	2.3
505.24612	1.8
509.36072	3.7
511.37894	10.1
512.27222	1.5
512.38354	1.1
513.35590	4.6
515.38452	4.4
519.25824	1.9
521.24408	1.7
527.37311	6.2
529.38458	5.5
533.24243	3.1
533.39764	6.1
547.25903	11.6
551.40631	4.8
555.36652	3.8
556.37476	2.9
565.27020	6.6
566.25482	2.5
593.26440	2.5
607.27704	2.0
607.43414	64.8
608.43665	4.6
625.28583	100.0
625.44238	97.6
626.29004	7.1
626.44806	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	625.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
54.58046	0.3
55.01856	0.6
55.05502	1.8
57.03425	0.8
57.07060	0.4
67.05495	3.5
69.03414	0.3
69.07060	1.6
71.63177	0.4
79.05479	3.4
80.42835	0.2
81.03395	1.3
81.07047	4.4
83.04962	0.7
83.08604	0.9
85.06533	0.8
91.05464	2.7
93.07028	4.0
95.04941	1.6
95.08596	2.9
97.06544	0.5
97.10152	1.0
98.98449	0.7
99.08076	0.3
105.07018	2.2
107.04956	0.6
107.08582	2.3
109.06512	1.4
109.10129	1.4
111.08087	0.5
113.06004	0.9
117.07039	1.0
119.08569	2.0
121.06488	0.6
121.10125	1.3
123.11672	0.4
125.09576	0.5
129.06984	0.9
131.08575	1.7
133.10117	1.4
135.08060	0.9
135.11697	0.7
137.09633	0.4
143.08545	0.9
145.06529	0.2
145.10121	1.1
147.08064	0.3
147.11661	0.9
149.09669	0.3
149.13278	0.4
151.11189	0.3
155.08546	0.3
157.10138	0.7
159.11690	1.0
161.09668	0.6
161.13257	0.8
163.11192	0.3
169.10132	0.4
171.11732	0.7
173.13298	0.6
175.11148	0.5
179.14333	0.4
183.11711	0.6
185.13254	0.5
189.11270	0.3
189.72289	0.3
193.12292	0.6
197.13159	0.5
199.14833	0.4
201.16431	0.3
217.15880	0.5
261.22195	0.6
267.15939	0.3
273.18488	1.4
275.19983	0.7
277.21771	0.4
291.19504	3.0
301.25171	0.3
335.25861	0.6
347.22253	0.5
377.17508	0.6
378.18542	0.5
379.19180	0.7
390.18698	0.5
391.15369	0.2
391.19330	1.6
392.19952	0.8
393.20871	1.6
403.19040	0.6
404.20160	0.4
405.16403	2.4
405.21002	0.9
406.17773	1.0
406.22156	0.5
407.22592	4.8
408.23029	0.7
417.20932	0.5
418.21887	0.5
419.17944	3.2
419.22858	1.0
420.18896	2.0
421.20145	3.2
421.24695	0.3
422.21014	0.3
423.21542	0.4
431.18771	0.7
432.19275	0.5
433.19873	4.0
434.20828	3.0
435.21823	6.2
436.22543	0.9
437.23282	0.6
445.20270	0.8
446.20874	0.5
447.21979	1.9
448.22818	0.4
449.19299	2.5
450.20276	0.8
451.25403	1.3
452.25995	0.5
453.34967	0.4
459.21545	0.6
460.22656	0.9
461.23929	1.4
463.20905	3.0
464.21878	1.7
465.23010	2.0
466.23334	0.4
467.24524	0.4
471.35156	0.3
477.22668	1.9
478.23584	5.1
479.24789	4.4
480.24564	0.8
489.23032	0.4
491.24658	1.5
493.21603	0.4
493.26501	0.4
495.24103	0.4
505.25775	0.9
506.23669	0.3
507.24069	0.4
510.25626	0.3
519.23865	0.9
521.25470	10.0
522.25702	0.8
523.22632	1.5
527.37244	7.0
532.23199	0.3
533.25409	0.4
535.23566	0.5
537.24188	1.1
538.25854	0.3
547.27100	1.5
549.25262	0.9
550.25226	0.3
553.28033	0.3
565.28027	22.2
566.28387	1.7
569.06549	0.2
580.27826	0.4
581.27417	2.5
593.26990	0.8
596.26752	0.5
597.30762	0.5
607.28741	1.2
607.43042	0.7
608.26239	0.5
625.30096	100.0
625.44269	3.3
626.30487	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	625.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.2
57.03413	0.9
66.05488	0.6
67.05484	5.4
67.38434	0.7
69.07052	2.0
69.27866	4.3
69.28287	3.6
71.95552	0.6
79.05487	4.2
81.03407	0.9
81.07039	4.1
83.08608	1.5
91.05473	3.5
93.07030	3.9
95.04952	1.7
95.08624	4.8
97.06519	1.1
97.10141	0.8
98.20690	1.4
105.07005	3.1
107.08580	2.5
109.06491	1.5
109.10146	1.7
117.07018	1.7
119.08535	2.0
121.10087	1.4
129.07010	1.2
130.08606	1.3
131.08569	2.3
133.10066	1.7
135.08047	1.0
135.11655	1.2
140.50966	0.6
143.08598	0.8
145.10104	1.4
147.11690	1.2
149.09550	0.7
157.10121	1.5
159.11636	1.1
171.11740	0.9
185.13177	0.7
273.18530	2.0
275.19962	0.9
277.21518	1.0
284.38327	0.8
291.19583	2.0
292.63800	0.8
310.14011	0.7
329.44373	0.7
335.25446	1.6
373.74908	0.7
377.17639	1.5
389.18402	1.1
391.19232	2.7
392.20071	2.6
393.21277	1.0
403.19073	0.9
404.20303	2.0
405.20627	8.1
406.21466	2.3
407.22348	4.9
419.22519	3.9
420.22986	2.8
421.23831	6.0
422.18320	0.8
422.24533	1.1
433.23987	1.8
434.24731	2.1
435.17938	1.0
436.18887	1.3
437.19876	1.0
445.19937	0.8
449.19638	3.0
450.20517	1.7
451.21210	16.6
452.21902	3.9
455.32327	0.7
463.21237	1.2
464.21951	1.9
465.22791	13.7
466.23529	3.7
475.25485	1.1
478.23657	1.1
479.24188	2.7
487.21265	0.9
488.21658	1.6
491.20282	1.2
492.21402	2.7
493.26062	11.9
494.26718	2.3
503.24313	7.6
504.23758	0.8
509.21869	2.5
521.25500	6.9
523.23315	7.3
537.24792	3.6
538.25635	16.3
547.23462	2.5
565.24365	8.3
566.25531	1.1
581.27686	5.9
607.25604	4.6
607.42725	1.4
625.26544	100.0
625.44116	6.5
626.26471	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	624.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.05497	18.3
57.03423	15.4
57.07064	41.1
58.62055	2.6
65.56679	2.4
67.05491	39.2
69.07056	17.7
70.93107	5.0
71.08626	34.1
77.68509	3.2
79.05486	27.7
81.07047	37.4
81.46420	2.8
83.08611	19.2
85.10182	16.1
85.57291	3.2
91.05463	49.0
93.07033	33.0
95.04921	4.5
95.08590	39.4
97.10140	8.4
105.06368	4.7
105.07014	47.4
107.08565	17.2
109.10143	16.8
117.06998	11.3
119.08558	42.3
121.10116	18.8
123.11663	7.9
129.06979	6.9
131.08522	14.0
133.10101	34.7
135.11638	17.2
143.08513	6.0
145.10072	15.6
147.11681	36.2
149.13219	6.3
155.93544	2.8
157.10098	3.7
159.11662	15.8
161.13246	20.1
171.11678	8.4
173.13278	5.0
175.14783	7.5
185.13228	7.9
187.14821	4.4
201.16258	3.4
202.70084	3.0
231.21031	8.6
239.23596	4.5
241.19466	35.6
259.20529	92.0
292.09982	2.8
313.27310	100.0
333.24176	63.7
333.28064	3.3
425.07831	3.4
506.71640	3.3
571.46844	15.8
589.48199	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	625.1753
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03942	0.3
53.78860	0.2
55.01851	0.5
55.05497	0.7
57.03429	1.8
61.02907	0.6
67.05486	0.8
69.03414	1.9
69.07053	0.4
69.74191	1.7
70.15867	0.2
71.04984	10.9
72.05286	0.2
73.02888	0.5
75.04469	0.3
81.03402	1.0
81.07054	0.5
83.04964	1.0
83.53969	0.2
85.02892	15.1
87.04427	0.4
91.03935	0.3
91.05468	0.5
92.02623	0.3
93.03368	0.7
93.07047	0.3
95.04930	0.2
95.08589	0.4
97.02887	1.8
97.06496	0.3
99.04427	0.6
100.11211	0.7
105.07022	0.4
105.23820	0.2
107.08584	0.4
109.02863	0.8
109.06497	0.3
109.10137	0.5
111.04415	0.7
119.08548	0.3
121.02817	0.9
121.10082	0.3
123.04420	0.4
127.03912	1.4
128.07027	0.2
129.05478	3.4
137.02324	0.3
137.05940	0.7
137.09590	0.7
139.03886	0.7
145.04948	0.6
147.04372	1.0
147.06471	1.0
151.03877	0.6
153.01805	4.0
153.02969	0.3
163.03952	0.3
165.01775	0.5
165.09106	0.6
167.07047	0.5
172.42101	0.3
177.05469	0.4
181.05052	0.3
182.15382	0.8
194.27834	0.3
201.05484	0.4
203.03328	0.3
203.12459	0.2
209.16403	0.3
210.14928	1.2
218.05637	0.2
228.04175	0.5
229.04903	2.0
233.11601	0.3
234.11984	0.3
245.04482	0.6
246.05292	1.2
250.14299	0.3
257.04379	1.8
260.03229	0.3
273.03848	1.1
274.04663	3.2
284.02942	0.3
285.03934	3.4
287.05420	0.3
288.05908	0.5
289.06345	0.3
302.00717	0.5
302.04163	9.8
303.04733	0.3
317.06512	100.0
318.06934	3.3
479.11905	0.5
498.01434	0.3
608.39862	0.5
625.22821	0.3
625.42474	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01856	4.3
55.05505	16.8
57.03429	6.5
58.87049	1.1
61.02921	20.0
65.03928	2.5
67.05499	34.1
69.03416	8.6
69.07057	12.9
70.06578	1.1
70.74432	3.0
71.04976	4.5
73.02919	6.2
74.77041	1.1
79.05054	2.1
79.05483	27.7
81.03415	17.8
81.07042	39.1
83.04964	6.6
83.08615	13.2
83.40459	1.1
85.02419	1.4
85.02896	20.6
85.06511	4.0
91.03946	8.8
91.04891	1.7
91.05466	36.2
93.07030	28.9
95.04972	10.5
95.08589	21.4
95.37295	1.0
97.02876	13.7
97.06495	6.7
97.10147	5.7
99.04438	3.6
99.08077	1.4
101.05995	1.2
103.05444	2.4
105.07018	30.5
107.04933	5.8
107.08578	16.7
109.02856	4.1
109.06491	7.1
109.10127	11.0
111.04418	2.3
111.08074	4.8
115.05403	4.9
117.07000	23.6
119.04929	3.0
119.08559	18.2
121.06488	4.3
121.10135	10.4
123.04418	1.9
123.08057	3.2
123.11691	2.7
125.09591	5.0
127.03899	4.2
128.06180	4.6
129.06979	27.8
131.04907	1.6
131.08545	31.5
133.06488	5.1
133.09222	1.3
133.10130	14.6
135.04413	1.1
135.08012	4.2
135.11708	5.4
137.05978	2.0
137.09550	2.0
139.11179	1.9
141.06981	9.7
142.07735	3.6
143.08536	20.0
145.04932	2.1
145.06458	7.0
145.10110	16.0
147.04387	2.1
147.08012	6.1
147.11647	8.3
149.05914	1.0
149.09631	5.5
149.13211	2.5
151.03885	1.4
151.07512	2.9
151.11156	1.9
153.06941	1.6
154.07742	1.5
155.08539	14.5
156.09341	1.1
157.06456	2.2
157.10107	13.8
159.08029	4.6
159.11678	13.4
161.09570	2.9
161.13191	2.2
163.11168	3.0
165.06978	3.0
165.09097	2.3
165.12717	1.3
167.08534	7.0
168.09396	1.1
169.10106	12.0
171.08032	3.0
171.11684	8.0
173.09593	2.2
173.11826	1.4
173.13271	3.2
175.11186	4.1
175.14761	1.2
177.12685	2.8
179.08498	3.4
181.10066	10.2
182.10835	1.5
183.08105	1.7
183.11649	6.8
185.09630	2.6
185.11809	1.2
185.13196	6.5
187.11047	2.1
187.14729	2.6
189.12761	2.1
192.09192	1.0
193.10095	4.7
193.12206	6.6
195.11665	10.6
195.13499	1.8
197.09641	1.3
197.13210	6.3
199.11201	2.3
199.14841	3.5
201.12712	2.5
203.14311	2.0
207.11688	2.7
209.13141	6.1
211.11261	1.9
211.13239	7.2
211.14861	3.9
213.12729	3.2
213.16434	1.3
214.18010	1.3
215.14316	4.6
219.11699	1.7
221.13283	6.9
223.14853	6.2
225.12721	2.7
227.12575	1.3
227.14508	1.5
229.16035	1.3
231.13776	2.0
231.17482	1.5
235.14847	3.3
237.16434	1.5
239.14307	5.3
241.15915	2.0
243.17493	1.7
245.15562	1.5
249.16364	1.5
253.15849	2.6
257.15341	4.5
259.16925	2.4
261.18417	1.2
267.15701	2.1
269.17441	2.5
271.16870	4.1
275.16281	1.5
289.17822	1.2
303.19269	1.5
315.20932	2.1
323.23755	4.8
333.22110	11.8
341.24673	6.1
351.23151	36.1
369.24182	24.4
387.25278	15.2
405.26727	1.4
415.28522	2.4
425.26691	7.8
443.27869	100.0
444.27988	2.3
461.28922	70.2
462.29300	2.0
479.29907	3.6
485.28418	1.2
503.29990	1.7
569.30731	1.3
605.32941	2.8
623.34149	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	623.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
53.03942	6.3
55.01867	7.7
55.05254	1.9
55.05497	24.2
57.03428	13.4
57.07066	1.2
59.04996	1.3
61.02907	2.4
65.03925	3.5
67.05491	53.3
69.03417	17.9
69.07052	15.0
71.01332	1.5
71.04979	8.8
73.02904	2.3
77.03928	1.1
79.05476	41.9
81.03402	97.9
81.07041	63.3
83.04964	19.8
83.08601	23.1
85.02885	24.0
85.06520	4.1
91.05462	47.2
93.07026	45.1
94.28358	1.0
95.04352	2.1
95.04949	29.2
95.08588	23.1
97.02866	16.6
97.06528	9.5
97.10134	6.9
99.04440	5.6
99.08088	3.0
103.03945	1.3
103.05466	1.0
103.46086	1.7
105.04533	1.3
105.07004	28.5
105.07663	2.0
107.04922	12.7
107.08573	29.1
109.02857	14.5
109.06493	8.6
109.10126	5.6
111.04429	12.4
111.08060	9.2
111.31161	1.1
113.05999	2.7
115.05442	2.7
117.07002	12.0
117.69350	1.4
119.04920	3.0
119.08562	22.8
121.06468	8.2
121.10113	19.4
121.59013	1.2
123.04398	2.9
123.08037	3.4
123.11674	5.5
125.09582	5.8
127.03896	9.4
128.06171	2.7
129.05464	2.8
129.06993	13.1
131.04930	1.6
131.08539	19.1
133.06480	6.5
133.10114	15.7
135.04427	1.7
135.08057	3.4
135.11670	7.0
137.05949	1.3
137.09598	2.8
141.06970	2.9
143.08556	5.1
145.06442	6.6
145.10100	7.3
147.04361	1.3
147.08022	6.7
147.11661	17.0
149.09573	5.7
149.13220	12.1
151.11185	1.8
153.09000	1.4
153.12743	3.4
155.08521	3.1
157.06424	2.3
157.10100	13.3
159.08105	3.0
159.11665	9.0
161.05910	1.5
161.13303	1.9
163.11180	3.9
165.12663	6.2
169.10112	2.3
170.42078	1.0
171.08130	1.5
171.11700	2.9
173.04402	5.2
173.09604	2.6
173.13240	1.7
174.36574	1.1
175.11168	9.9
177.12704	5.4
181.10246	1.2
181.12181	1.9
183.06554	1.9
183.07990	1.7
183.11681	2.5
185.09625	1.3
185.13237	1.4
187.14806	1.4
189.11211	2.3
191.10709	3.6
191.14311	1.1
191.38432	1.1
193.12196	25.5
193.13852	1.9
195.11821	2.3
195.13786	8.7
197.13361	2.4
199.14819	1.9
203.14597	1.2
207.13832	1.4
209.11624	1.2
211.13234	41.6
213.14839	3.1
217.15775	2.2
219.13832	1.7
227.10880	1.4
227.12576	7.1
229.14189	2.3
231.13791	2.3
231.73792	1.1
235.13246	1.5
245.15495	1.3
249.14867	3.0
251.16512	1.5
255.13908	1.1
267.15860	18.8
267.18497	1.4
269.17419	12.5
273.14847	4.6
275.16403	2.0
277.14209	1.2
283.15381	1.9
285.17197	7.9
287.16391	1.4
293.17493	1.5
301.14249	2.6
303.15878	4.6
319.15378	2.6
321.17038	3.7
337.16507	2.6
339.17953	8.1
351.23233	1.8
355.17422	4.0
369.24338	5.8
377.19751	2.9
387.25455	3.3
393.18933	2.1
395.20679	9.2
411.20129	4.5
413.21768	3.3
417.26117	1.4
433.29684	1.6
435.27246	2.2
443.27798	9.8
461.28894	40.2
462.29227	1.5
477.27905	1.7
479.29910	19.4
485.29105	1.9
503.29855	3.3
527.30109	1.6
531.30115	1.3
545.30933	3.4
569.30963	4.0
587.31982	8.0
605.33167	16.8
623.34137	100.0
624.34949	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	623.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57067	1.3
51.02363	1.5
53.03944	9.2
55.01867	8.1
55.05502	28.6
57.03428	12.7
59.05013	1.5
61.02911	2.2
65.03925	4.1
67.05493	58.0
68.77785	1.4
69.03422	19.9
69.07059	16.6
71.04365	3.0
71.04969	8.4
73.02891	2.8
79.05479	47.5
79.96426	1.3
81.03402	96.9
81.07039	67.6
83.04964	27.5
83.08608	22.8
85.02888	22.5
85.06522	4.2
91.03974	1.7
91.05465	43.3
93.07028	51.4
95.04948	32.3
95.08585	22.3
97.02869	14.7
97.06503	10.4
97.10143	9.6
99.04430	4.8
99.08084	3.6
103.03919	1.7
103.05459	2.0
105.07015	30.3
107.04943	11.7
107.08581	27.9
109.02863	15.5
109.06500	10.8
109.10127	7.6
111.04432	12.3
111.08081	9.3
113.05974	2.0
115.05422	3.1
117.07001	12.1
119.04942	3.9
119.08566	21.7
121.02856	2.0
121.06464	9.1
121.10122	16.3
123.04425	4.8
123.08051	4.0
123.11694	6.4
125.09649	4.7
127.03880	9.7
129.05469	2.9
129.06978	13.3
131.04970	1.4
131.08556	19.2
133.06462	4.6
133.10107	19.4
135.08052	6.2
135.11656	7.5
137.05925	2.8
137.09610	2.6
139.03882	1.5
141.06998	2.4
142.07779	2.8
143.08553	5.3
145.06490	5.4
145.10176	6.7
147.08006	6.4
147.11658	19.2
149.05957	2.9
149.09615	5.9
149.13210	11.2
151.11134	2.2
153.12737	1.5
155.08540	3.6
157.06531	2.4
157.10085	12.4
159.08049	3.2
159.11635	8.3
161.13269	1.2
163.11185	6.1
165.09166	1.6
165.12762	4.3
167.08505	1.5
169.10086	1.7
171.08044	3.2
171.11708	3.0
173.09569	1.7
175.11169	9.3
177.12787	4.5
181.12253	3.5
183.06523	3.5
183.11703	2.6
185.13176	3.0
187.11188	1.6
187.57558	1.3
189.11177	2.0
191.10672	4.1
193.12206	31.0
195.12057	2.1
195.13763	9.7
211.13245	40.7
212.67033	1.7
213.14734	1.9
216.61356	1.5
217.15820	1.6
227.12619	6.6
231.13887	2.3
235.13286	1.6
249.14813	2.2
259.13397	2.2
267.15900	15.3
269.17441	16.6
275.16428	1.8
277.14264	3.0
283.15466	1.5
285.17032	6.0
301.14368	3.8
303.06287	1.4
303.15768	2.0
309.17007	2.3
319.15408	2.2
321.17032	3.7
337.16501	2.2
339.18112	8.3
351.07086	1.3
351.18369	1.2
351.23196	1.4
355.17654	4.2
359.18481	2.0
369.24335	2.8
375.18225	1.4
377.19742	2.8
387.25302	1.8
393.19147	1.8
395.20541	11.3
411.20218	5.1
413.21799	2.6
425.26895	1.5
443.27731	6.2
461.28918	36.4
479.29935	15.5
485.28793	1.8
503.30130	3.8
545.31134	6.7
551.29675	2.5
557.31073	2.7
569.30945	5.2
587.31586	8.7
605.33044	17.6
623.34143	100.0
624.34363	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.3
55.01856	5.8
55.05500	23.7
57.03432	14.7
59.04973	1.5
61.02916	2.9
65.03934	3.9
67.05493	55.5
68.86236	1.3
69.03419	21.9
69.07056	16.7
69.51683	6.5
69.52108	5.4
71.01379	1.4
71.04984	9.5
73.02908	2.4
74.06052	2.1
74.09707	3.3
75.64993	1.3
79.05482	45.5
81.03407	85.5
81.07045	63.7
83.04964	20.0
83.08614	21.1
85.02894	21.6
85.06528	4.4
86.09704	2.3
91.03939	1.4
91.05466	46.5
93.07029	43.9
95.04956	31.2
95.08587	21.7
95.09141	1.6
97.02882	13.9
97.06506	9.9
97.10176	7.8
97.10683	1.6
99.04449	5.0
99.08103	3.2
103.03934	1.6
103.05423	4.0
105.07021	31.7
107.04940	12.7
107.08577	24.8
109.02872	16.4
109.06501	7.0
109.10142	7.3
111.04446	12.4
111.08070	10.3
113.05968	1.5
115.05479	4.0
117.06999	14.6
119.08562	23.0
121.06473	8.9
121.10127	14.9
123.04401	3.2
123.08059	5.1
123.11694	5.6
124.58696	1.4
125.09606	5.9
125.63295	1.4
127.03894	8.4
128.06151	2.5
129.05531	2.2
129.06981	16.0
131.04929	3.0
131.08553	18.5
133.06450	7.7
133.10109	17.1
135.04416	1.4
135.08049	4.7
135.11668	7.8
137.06023	2.0
137.09624	4.4
141.07001	2.6
142.07840	2.4
143.08531	6.0
145.06488	4.1
145.10059	8.8
147.08083	5.2
147.11652	19.4
149.05992	2.4
149.09612	4.8
149.13249	13.5
151.11142	1.9
153.12689	1.9
155.08588	4.3
157.06451	1.7
157.10118	10.0
159.07951	2.3
159.11702	9.0
161.09644	3.2
161.13240	2.3
163.11206	5.1
165.12758	4.6
169.10110	2.7
171.08011	1.6
171.11716	3.3
173.04480	5.4
173.09673	1.8
173.13255	2.5
175.11166	8.3
177.12724	4.5
181.10150	2.5
181.12181	3.2
183.06538	2.1
183.08090	1.8
183.11723	2.7
184.07330	7.7
184.79840	1.6
185.07742	2.2
185.09570	2.0
185.13264	1.6
191.24358	1.5
193.12201	22.3
195.11775	2.6
195.13791	6.6
197.13130	2.4
199.14792	1.7
201.12804	2.4
209.13310	2.0
211.13242	38.1
213.12817	1.5
213.14745	1.8
227.12787	5.2
229.14337	2.5
231.13815	2.1
233.15382	2.2
235.13333	2.9
249.14917	2.3
257.15414	2.3
261.14828	1.7
267.15869	18.0
269.17438	11.9
273.14832	2.2
283.15286	1.5
285.17056	5.1
303.15875	4.9
321.17020	3.4
337.16486	3.3
339.17935	7.9
341.24780	1.5
351.23245	1.7
355.17548	4.0
359.26135	1.6
368.12863	1.7
369.24014	3.0
377.19470	3.1
387.25418	4.0
393.19168	4.6
395.20557	7.7
405.25912	1.7
411.20236	7.8
413.21631	2.7
433.29623	1.9
435.27133	3.4
443.27991	10.3
461.28903	39.0
461.35181	2.4
479.30020	18.2
485.28558	1.9
503.30350	3.7
525.35156	3.4
527.29938	2.1
545.31311	3.4
569.31232	5.5
587.32397	6.0
605.33167	14.2
616.44513	1.7
623.34192	100.0
624.34558	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.6
57.07069	0.6
63.45415	0.3
67.05501	1.5
67.51267	0.3
69.07060	0.4
74.84260	0.3
79.05481	1.0
81.07011	1.4
83.04961	0.3
83.08634	0.5
91.05466	1.4
93.07014	1.7
95.04935	0.6
95.08590	0.8
97.06530	0.4
97.10130	0.4
98.21568	0.6
105.07046	1.0
107.08579	1.3
107.27300	0.3
109.06502	0.4
109.10158	0.6
119.08592	1.1
121.06504	0.7
121.10185	0.5
131.08575	0.6
133.10159	0.9
145.10114	0.5
147.11638	0.4
157.10126	0.7
159.11678	0.5
171.11679	0.3
192.85988	0.3
201.16357	0.3
227.83015	0.3
229.90710	0.4
275.19955	0.7
289.17981	0.4
313.27148	0.4
377.17914	0.5
378.67914	0.3
390.18585	0.6
391.19052	1.5
392.19958	1.2
394.21774	0.4
403.19363	0.6
404.15732	0.4
404.20343	0.5
405.16208	0.5
405.21152	1.7
406.21497	2.2
407.22345	1.4
417.16809	0.5
418.17490	2.0
419.17706	2.6
419.23151	0.9
420.23444	3.5
421.19214	0.3
421.24164	2.6
422.25159	0.3
431.18277	0.5
432.19113	2.3
433.19861	6.8
434.20862	3.0
435.21509	1.0
446.20987	0.8
447.21936	5.7
448.22623	4.6
449.23563	2.8
450.24283	0.3
459.21664	0.4
461.19226	1.0
461.24387	0.6
462.20212	0.6
463.21402	2.0
475.20825	0.7
476.21939	4.0
477.22888	6.7
478.23218	0.8
479.24899	0.4
489.22809	2.1
490.23654	0.5
491.24490	0.5
493.22055	0.5
503.24170	1.2
505.22418	0.5
506.22470	0.4
507.27231	0.4
508.24915	0.4
519.23743	0.5
521.20941	1.5
531.23883	0.4
534.26318	2.5
535.27332	4.2
536.26892	0.5
548.24200	0.4
551.26056	0.4
563.26422	24.0
564.26575	1.8
580.26947	0.4
591.25409	0.6
594.28229	1.2
595.29047	1.0
623.28516	100.0
624.28839	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	623.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
57.07045	0.2
67.05486	2.3
69.07042	0.7
70.21729	0.9
71.08650	0.2
79.05476	1.1
81.03395	0.3
81.07047	1.6
83.08573	0.3
91.05474	1.5
93.07033	1.4
95.04939	1.0
95.08578	1.3
97.06501	0.3
105.07030	1.3
107.04945	0.3
107.08575	0.6
109.06538	0.5
109.10154	0.7
117.06992	0.8
119.08559	1.2
121.06468	0.2
125.09591	0.5
126.50249	0.2
129.06950	0.6
131.08548	0.7
133.10095	0.8
134.81912	0.2
143.08540	0.5
145.06439	0.5
145.10078	0.6
147.07974	0.3
147.11685	0.4
155.08549	0.3
157.10107	0.5
159.08047	0.3
159.11676	0.5
161.13316	0.3
173.13251	0.2
183.11682	0.3
209.10870	0.3
271.16913	0.9
319.61276	0.2
375.15814	0.8
376.16800	0.3
387.15808	0.3
388.16629	0.4
389.17554	3.3
390.18359	1.9
391.19186	2.9
392.19870	0.3
401.17590	0.6
402.18689	0.6
403.19360	2.8
404.19904	1.4
405.20712	8.4
406.21283	1.0
416.19928	1.0
417.16434	6.0
418.17374	3.1
419.18390	3.3
420.18787	0.4
429.17047	0.2
431.18115	5.7
431.23450	0.4
432.19293	6.9
432.24515	0.5
433.20041	9.0
434.21051	0.5
435.21790	0.6
443.18494	0.5
444.19467	0.3
445.15417	0.3
445.20328	3.4
446.21036	1.0
447.17105	0.3
447.22168	0.4
448.22598	0.5
449.24005	1.4
450.24005	0.3
455.18951	0.3
459.21762	2.0
460.22583	0.5
461.19290	2.2
462.20258	1.1
463.21234	2.1
464.21942	0.5
465.23163	0.3
471.22324	0.3
475.20718	1.9
476.21939	4.3
477.23383	4.9
478.23309	0.8
487.21069	0.7
489.23047	1.4
490.23422	0.4
491.24936	1.4
503.24713	0.5
504.21655	0.4
505.22223	0.5
519.23834	24.4
520.24103	1.0
521.21161	1.3
531.23663	0.3
535.26672	0.7
545.25470	0.4
547.23462	1.0
548.24103	0.4
551.26654	0.8
563.26447	16.1
564.26453	1.2
579.25854	5.2
579.34247	0.2
580.25940	0.3
591.25842	0.5
595.28888	0.3
605.27521	1.0
605.41846	0.6
623.28503	100.0
624.28857	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	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
55.05500	0.6
60.40215	0.2
61.11310	0.1
65.03935	0.2
67.05505	1.3
68.58981	0.2
69.07058	0.8
79.05477	1.0
81.03404	0.2
81.07046	1.0
83.04967	0.3
83.08619	0.4
89.82359	0.2
91.05464	1.1
93.07004	0.9
95.04955	0.4
95.08589	0.9
97.06522	0.5
98.20713	0.5
105.07008	1.2
106.06512	0.2
107.04954	0.2
107.08579	0.6
108.08139	0.1
109.06474	0.2
109.10143	0.4
117.07022	0.5
118.06466	0.3
119.08572	0.9
120.08097	0.3
121.10146	0.3
123.11659	0.2
131.08575	0.6
133.10135	0.5
135.11673	0.2
143.08577	0.2
145.10139	0.5
147.11690	0.4
148.07504	0.1
157.10181	0.2
159.11752	0.3
161.13329	0.2
163.11130	0.3
169.10112	0.2
169.62347	0.2
171.11723	0.2
172.03848	0.2
179.14275	0.2
196.09903	0.3
197.10709	0.3
204.06549	0.2
207.09335	0.2
208.09959	0.2
209.10789	0.5
210.11536	0.2
211.12273	0.5
221.10764	0.3
222.11282	0.2
223.12378	0.3
225.10323	0.3
225.13905	0.3
236.13271	0.2
237.10300	0.4
237.14052	0.3
239.11722	0.3
249.10245	0.4
251.11729	0.3
252.12488	0.2
253.13373	0.3
265.13150	0.3
271.17056	0.2
275.20047	1.2
276.78058	0.2
286.13461	0.2
293.12726	0.2
297.12540	0.2
309.12393	0.2
312.15100	0.2
323.13889	0.2
325.15515	0.3
326.12994	0.4
326.16574	0.3
328.14551	0.3
337.12125	0.2
338.13104	0.2
340.14465	0.4
341.15173	0.2
342.15900	0.2
354.16016	0.2
368.13831	0.2
368.17859	0.3
375.16110	0.4
376.16919	0.3
377.17770	0.5
389.17581	1.1
390.18552	0.7
391.19299	1.6
392.19980	0.5
393.20676	0.6
396.17358	0.2
399.69879	0.2
401.17700	0.4
402.18332	0.6
403.19901	1.1
404.16125	0.6
404.20700	0.9
405.16806	0.7
405.21304	2.0
406.21774	0.9
407.22360	0.5
415.19519	0.3
416.19839	0.6
417.17065	1.3
417.21066	0.9
418.17136	1.1
418.22388	0.4
419.18491	2.3
419.22556	1.8
420.18591	0.7
420.23920	0.3
421.24161	1.6
429.16299	0.9
429.22015	0.3
430.17947	0.6
431.18628	1.4
431.22778	0.9
432.18826	1.6
433.20056	3.7
434.20734	1.4
435.21820	1.2
443.18753	0.7
444.18845	0.8
445.20001	2.7
446.21210	2.0
447.17081	0.9
447.22702	3.7
448.22928	1.7
449.23380	5.5
450.24530	0.4
457.20325	0.5
458.20847	1.4
459.21924	2.8
460.22873	0.8
461.18686	2.4
462.19864	1.3
463.21219	1.7
465.22839	0.4
471.21936	0.3
473.23676	0.3
475.20828	2.1
476.21948	5.1
477.22772	5.0
478.23422	0.4
488.21866	0.2
489.23083	2.3
490.23602	0.9
491.20325	0.2
491.25027	0.2
493.21606	0.3
503.24890	1.6
504.25217	0.6
505.21405	0.8
506.23267	0.3
507.27786	0.5
508.24820	0.5
517.22473	0.2
518.23090	0.2
519.23779	1.0
520.24744	0.3
521.21289	1.1
525.35773	0.3
531.23767	0.6
533.25616	3.7
534.24689	0.2
535.27551	3.5
536.26703	0.2
545.25549	1.8
546.25708	0.3
547.26501	0.2
548.23938	0.4
563.26471	20.4
564.26575	1.1
576.23639	0.2
579.26202	0.3
580.26263	0.3
591.26135	1.2
593.27289	0.8
595.29095	1.1
605.27441	2.6
606.28137	2.2
623.28540	100.0
624.28864	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59276	0.3
72.03397	0.2
112.53934	0.2
113.17606	0.2
114.23251	0.2
209.10701	0.3
211.12299	0.4
223.12225	0.4
235.11879	0.2
237.13834	0.6
239.15375	0.2
251.15382	0.3
276.65793	0.2
360.55307	0.2
361.80542	0.2
373.16336	0.2
374.16592	0.2
375.16479	0.4
376.17377	0.6
377.17740	0.8
378.18561	0.8
379.19424	0.2
389.18301	0.6
390.18594	0.8
391.19196	2.0
392.19879	2.2
393.20663	1.2
393.25281	0.2
399.16290	0.4
400.16925	0.6
401.17627	0.5
402.19360	0.3
403.19510	0.7
404.20407	0.7
405.20923	2.9
406.21454	3.0
407.22238	9.0
408.22928	0.4
413.17798	0.7
414.18274	0.9
415.19284	2.0
416.20020	0.6
417.20935	0.7
418.21912	0.4
419.17648	0.4
419.23108	1.3
420.23209	1.6
421.23825	7.9
422.24707	2.1
423.24973	0.2
427.19308	0.6
428.20218	1.2
429.20877	4.0
430.22061	0.9
431.18335	0.6
431.22910	0.6
432.19141	0.9
433.19385	1.0
433.24136	1.5
434.24860	0.4
435.25842	0.3
441.21255	0.3
442.21915	0.5
443.22607	2.4
444.23712	1.5
445.20160	1.5
446.21475	0.3
447.18115	1.2
447.22943	0.3
448.18549	0.3
448.26807	0.2
449.23019	0.5
449.27936	0.3
450.28201	0.3
455.18713	0.4
456.18710	0.3
457.19223	0.4
457.24002	0.9
458.19531	0.2
458.24902	1.9
459.21930	2.6
460.23209	1.5
461.18994	4.1
462.20551	1.4
463.21344	0.7
470.21194	0.5
471.22159	0.7
472.22571	1.9
473.19421	0.7
473.23724	0.6
474.20602	0.8
475.21008	4.6
476.21680	3.5
477.22501	2.3
478.23309	0.5
481.26953	0.2
484.18732	0.3
485.23578	4.2
486.20361	1.1
486.24210	0.8
487.21405	1.0
488.22238	1.5
489.22931	2.7
493.26248	0.4
497.23386	0.4
499.21295	5.0
500.21899	1.6
502.23413	0.7
503.24472	7.2
504.24338	0.8
505.22342	0.7
507.23892	0.7
508.28244	0.6
513.22729	1.3
514.23700	0.9
515.24432	0.9
517.25677	1.8
518.22711	0.3
519.23895	0.2
521.25049	0.6
529.26007	0.7
530.23669	0.2
531.23834	0.5
535.27045	5.9
536.26788	0.5
541.22107	0.2
545.25403	21.7
546.25677	1.4
549.24939	0.5
559.23492	0.3
562.25903	0.3
563.26245	1.0
564.27136	1.6
573.24921	6.6
574.25024	0.4
577.28510	1.2
591.25977	1.8
605.27509	13.0
606.27771	1.0
623.28546	100.0
624.28821	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
63.48893	0.2
67.42518	0.3
68.83249	0.2
70.27322	0.6
70.27709	0.5
75.15075	0.3
78.99580	0.2
95.13467	0.3
158.09808	0.2
195.09270	0.2
207.09335	0.3
209.10846	0.4
223.12399	0.3
235.12283	0.3
235.38498	0.2
237.13701	0.3
261.29749	0.2
377.17453	0.3
388.16800	0.5
389.17743	0.5
390.18695	0.4
391.19098	1.1
401.17798	0.8
402.18515	0.6
403.19373	1.0
404.20078	0.9
405.20956	1.9
406.21539	0.6
407.22360	0.8
413.17957	0.4
415.19308	1.1
416.20206	0.9
417.16739	0.9
417.21484	1.8
418.17401	0.5
419.17615	0.5
419.22824	3.2
420.23013	0.9
421.23767	0.5
429.16074	0.4
429.20856	0.9
430.17081	1.4
431.17996	3.0
432.18808	0.8
432.23401	0.8
433.20029	5.1
434.20813	0.3
435.22086	0.7
443.17758	1.8
444.18893	2.0
445.19739	3.8
446.21075	2.6
447.21927	3.9
448.22607	1.4
449.23135	0.7
457.20352	0.8
458.20895	5.7
459.21729	4.6
460.22629	4.5
461.19946	1.1
462.20544	0.6
463.21167	2.1
471.22232	0.5
472.22501	0.4
473.23291	1.1
475.21381	1.1
476.21930	1.0
477.22812	1.7
485.23633	0.3
486.24380	0.3
487.25385	0.6
489.18704	0.3
489.23373	0.4
491.24573	0.3
503.24881	0.8
504.24933	0.7
505.25980	0.5
517.22491	0.9
518.23102	3.9
519.23590	0.7
521.21576	1.5
530.23126	0.6
531.24103	0.6
532.24463	0.4
533.25433	7.8
534.25934	0.8
535.27515	1.8
545.25446	3.7
546.25928	1.4
549.25018	0.3
563.26434	5.8
564.27356	0.4
573.25018	1.0
577.28009	1.0
605.27466	11.4
606.27716	1.0
606.58362	0.3
623.28552	100.0
624.29053	3.6
647.42572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.2
54.58286	0.2
55.01839	0.4
55.05504	1.3
57.03426	0.3
60.26537	0.2
67.05499	2.2
69.07053	1.5
69.58252	0.5
69.58672	0.8
71.04993	0.2
72.18636	0.2
79.05475	2.0
81.03383	0.4
81.07041	2.3
83.04977	0.3
83.08616	0.7
83.73768	0.2
91.05454	2.3
93.07017	2.0
95.04973	0.5
95.08593	1.8
97.06511	1.0
97.07611	0.2
97.10154	0.8
105.07008	2.0
107.04960	0.4
107.08575	1.3
109.06532	0.3
109.10156	0.8
111.08058	0.3
115.05458	0.2
117.06976	1.0
119.08559	1.5
121.06463	0.3
121.10130	0.6
123.08052	0.2
125.09624	0.5
129.06996	0.6
130.07758	0.2
131.07689	0.1
131.08513	1.0
133.10127	1.2
135.08022	0.3
135.11697	0.2
137.09622	0.2
141.07008	0.3
142.07779	0.3
143.08540	0.8
145.10117	1.0
147.08080	0.2
147.11690	0.7
149.09633	0.4
155.08591	0.3
157.10179	0.4
159.11630	0.9
161.13235	0.4
163.11172	0.3
169.10165	0.5
171.11748	0.6
173.13274	0.5
179.14410	0.2
181.10181	0.2
183.09258	0.2
183.11719	0.5
185.13298	0.3
193.10104	0.2
195.11726	0.4
197.10754	0.2
197.13286	0.4
209.13248	0.4
211.14813	0.2
239.18066	0.2
257.19000	0.4
259.20670	0.2
275.19998	1.6
282.42432	0.2
291.19565	0.3
293.04282	0.2
314.16336	0.3
315.23550	0.2
349.23846	0.2
369.24640	0.2
375.16092	0.4
382.15509	0.2
387.15884	0.2
388.16751	0.4
389.17499	1.1
390.18295	0.4
391.19232	0.8
400.16815	0.2
401.17850	0.7
402.18457	1.0
403.14673	0.2
403.19534	1.8
404.19803	1.1
405.20871	1.5
406.21338	0.3
413.17548	0.2
414.18625	0.3
415.19443	1.2
416.20401	1.2
417.16913	1.5
417.21860	2.1
418.17178	0.4
418.21558	0.6
419.22479	5.3
420.23077	0.5
429.17169	0.9
430.17770	0.7
430.22083	0.5
431.18661	3.1
431.22943	1.3
432.18713	1.7
433.20142	2.2
434.20895	0.3
435.21881	0.8
442.17709	0.3
443.18332	3.5
444.19281	1.4
445.20007	8.9
446.20840	4.9
446.26462	0.3
447.22256	4.8
448.18094	0.3
448.22849	0.3
449.23950	1.5
450.23932	0.3
451.32214	0.2
457.20175	1.3
458.20923	1.2
459.21857	3.6
460.22446	0.5
461.18848	1.3
462.20386	1.9
463.21057	2.6
464.21597	0.2
473.23849	1.0
475.21048	1.7
476.21924	5.5
477.22800	5.9
478.23502	0.7
487.21436	0.3
489.22910	2.0
490.23422	0.7
491.20938	0.7
492.24576	0.2
501.23172	0.4
503.24979	1.1
504.25406	0.2
505.22549	1.0
507.23212	0.2
508.24503	0.4
519.24030	0.2
521.21466	1.2
525.35669	0.8
531.23834	0.5
532.24957	0.3
533.25421	15.4
534.26013	0.8
535.23871	1.0
545.25592	0.9
548.24506	0.3
549.39001	0.2
561.24609	0.6
563.26453	18.5
564.26935	1.3
565.28143	0.4
590.25104	0.3
591.25757	0.9
592.26648	0.4
593.27466	4.6
594.25482	0.5
595.27924	0.3
605.27393	1.2
605.41833	0.9
623.28540	100.0
623.42725	3.7
624.28925	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	623.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46441	0.2
57.72090	0.2
69.42769	0.2
69.44691	0.2
70.87672	0.7
78.97407	0.2
79.05476	0.3
79.99503	0.2
81.07010	0.3
140.41292	0.2
223.12497	0.3
249.13765	0.2
263.15164	0.3
307.90903	0.2
375.16196	0.4
376.16974	0.4
388.17609	0.3
390.18652	1.0
391.19226	0.7
393.21283	0.3
402.18631	0.3
404.16058	0.4
404.20840	0.4
405.20795	2.5
406.21533	0.4
407.22311	0.3
414.18539	0.4
415.19205	1.2
416.20062	0.4
417.20877	0.6
418.17780	0.6
419.17792	1.5
420.23056	0.9
421.24551	0.5
428.19910	0.4
429.20947	1.9
430.21390	0.7
431.22977	0.4
432.15424	0.3
433.19769	2.8
434.20612	0.3
435.21976	0.5
442.21606	0.4
443.22418	1.0
444.23874	1.1
445.23874	0.9
446.17014	0.4
447.17816	6.9
448.22861	2.6
449.23462	2.2
452.22195	0.5
455.18533	0.3
457.19446	0.3
457.24478	0.4
458.24646	1.0
459.21158	2.5
460.22467	1.6
461.19220	7.1
462.20392	0.9
463.21078	1.2
470.21335	0.3
471.21777	0.3
472.22491	1.3
473.23489	1.2
475.20514	1.4
476.21954	18.4
477.22693	2.5
479.20541	1.5
485.23380	2.8
486.24289	0.3
487.25198	1.6
489.19006	0.8
500.22061	0.3
503.24930	1.5
504.25241	0.4
508.24585	0.6
513.22174	0.3
515.23987	1.2
517.26074	1.0
518.23444	0.5
519.23676	1.7
521.22101	0.4
531.23877	3.5
535.23346	0.3
536.24231	0.3
545.25354	12.6
546.26129	0.9
547.26984	0.6
549.24841	1.1
559.23480	0.5
563.26324	8.0
564.26624	0.6
591.25848	2.4
605.27313	2.2
623.28479	100.0
624.28729	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	623.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14043	0.2
65.47672	0.2
81.06975	0.4
93.06970	0.3
95.08527	0.2
187.72989	0.2
192.54695	0.2
235.12169	0.2
240.97992	0.2
247.87653	0.2
251.15514	0.3
375.17126	0.3
377.17975	0.3
389.18079	0.6
391.19128	0.4
392.20108	0.2
401.17612	0.3
402.19037	0.5
403.19180	0.5
404.20419	0.6
405.21179	0.3
413.17783	0.7
414.18253	1.2
415.19260	1.7
416.19852	0.8
417.20926	0.7
418.17358	0.3
419.18024	0.7
419.22311	0.8
427.19293	0.8
428.19922	1.1
429.20801	6.6
430.21921	1.0
431.18536	0.8
431.22931	0.6
432.19183	0.7
433.24838	1.4
434.20779	0.8
435.21658	0.4
442.21698	0.4
443.22394	4.0
444.23730	2.2
445.19388	0.7
445.23819	1.4
447.22650	1.5
448.22021	0.4
449.23578	1.0
455.18268	0.3
456.19052	0.6
457.19614	0.9
457.23990	1.2
458.24890	2.5
459.21381	4.5
460.22702	2.3
461.18985	1.3
461.23422	2.0
462.20239	2.0
463.20972	0.6
470.21063	0.6
471.21939	1.1
472.22571	4.1
473.23602	3.2
474.19901	0.4
475.20667	1.4
476.21799	1.5
477.22858	2.8
483.18155	0.3
485.23346	5.7
486.24344	1.5
487.25140	3.8
488.22165	0.8
489.22681	1.3
490.23682	0.4
491.24820	0.3
501.23041	0.3
502.23923	0.4
503.24377	3.2
504.25040	0.4
505.22409	0.4
513.22723	0.6
517.26074	4.1
519.23883	1.4
520.24414	1.0
521.21106	1.1
531.23883	5.5
532.24823	0.6
535.25427	0.5
545.25409	51.3
546.25769	3.1
548.24213	0.4
562.25659	0.3
563.26416	10.6
564.26617	0.5
573.24933	0.3
577.28412	1.0
591.25800	0.7
595.29388	0.3
605.27460	4.8
606.27826	0.3
623.28516	100.0
624.28741	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	623.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13579	0.5
52.67146	0.4
55.18626	0.5
70.87545	1.4
88.64565	0.6
120.67940	0.5
124.21994	0.5
125.74230	0.5
192.40096	0.5
235.12195	0.5
237.13774	0.9
247.23201	0.4
251.15292	0.5
292.71671	0.5
295.05978	0.5
374.72723	0.5
375.16507	0.6
377.17422	1.4
388.17853	1.2
389.18018	0.8
390.18875	1.3
391.19247	2.4
392.19846	2.8
393.20712	1.2
399.16077	0.7
400.17032	0.6
401.17468	1.0
402.19299	0.6
403.19702	0.7
404.20404	1.2
405.20682	4.2
406.21402	3.0
407.22260	10.7
413.17505	2.2
414.18402	2.7
415.19302	3.6
416.19617	1.1
417.21091	0.8
419.22470	1.6
420.22836	1.9
421.23782	10.2
422.24689	2.4
427.19305	1.1
428.19754	2.0
429.15799	0.8
429.20795	9.5
430.21393	1.9
431.17807	0.8
431.22946	0.8
432.19083	0.8
433.19543	1.4
433.24127	1.8
435.25635	0.6
441.16324	0.8
442.21402	2.1
443.22476	5.6
444.23492	3.9
445.20187	1.8
446.21161	0.8
447.17899	1.6
447.26050	0.7
449.22977	1.4
455.18695	1.1
456.19458	1.1
457.23578	3.3
458.24817	6.6
459.21622	6.3
460.22916	2.6
461.18835	4.1
462.20386	1.7
463.21268	1.5
470.20984	1.2
471.21445	2.1
472.22513	5.8
473.23068	2.1
474.20328	1.0
475.20963	5.4
476.21698	4.6
477.22610	3.1
484.18515	1.0
485.23395	13.8
486.20200	2.0
486.24002	2.5
487.20508	2.6
488.21719	1.4
489.22736	2.5
490.23721	0.7
499.20901	3.9
500.21814	2.7
501.23294	0.7
502.23306	0.9
503.24442	8.0
507.23648	0.6
508.27951	1.5
513.22955	4.2
514.23352	2.3
515.24475	0.8
517.26031	7.1
529.25848	2.0
531.23602	1.1
535.27075	4.9
545.25378	76.1
546.25665	7.9
562.25922	0.8
563.26617	1.0
564.27026	1.8
573.24829	18.0
574.24908	1.4
591.25549	0.9
605.27454	75.4
606.27808	7.4
623.28516	100.0
624.28735	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	623.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
54.01803	0.4
55.01848	1.7
55.05501	3.7
56.78412	0.5
56.88574	0.5
57.03419	0.6
57.07053	0.5
59.80045	0.5
65.03906	0.7
67.05493	7.4
69.03409	0.7
69.07067	3.9
69.38009	4.6
71.04955	0.9
72.76412	0.5
79.05487	6.8
81.03403	1.3
81.07043	6.5
83.04962	1.2
83.08588	1.9
85.06541	0.6
91.05470	6.5
93.07037	5.5
95.04951	1.6
95.08605	5.7
97.06529	2.5
97.10121	1.3
100.75182	0.4
105.07009	6.4
107.04899	1.1
107.08583	3.8
109.06509	0.6
109.10133	2.7
113.09604	0.7
117.06993	2.5
119.08570	4.9
121.06487	0.8
121.10123	2.2
123.11678	0.4
124.99992	0.6
125.09602	1.0
128.06197	1.2
129.06973	2.0
131.08569	3.7
133.06429	0.5
133.10092	4.5
135.08008	0.6
135.11659	1.5
141.06967	0.6
143.08537	2.4
145.10104	3.7
147.11636	2.0
149.09587	1.7
149.13298	0.7
151.11140	0.5
154.07794	0.6
155.08556	1.1
157.10106	1.8
159.11700	2.5
161.09624	0.5
161.13155	0.6
163.11136	0.8
167.08505	0.9
169.10092	1.3
171.11688	1.6
173.13197	0.9
175.11116	0.6
175.14671	0.6
177.12781	0.5
179.14194	0.6
181.10136	1.0
183.11667	1.7
184.07262	3.1
185.13252	1.2
189.12790	0.7
195.11688	1.2
197.13144	1.1
199.14856	0.6
201.51599	0.5
209.10626	0.6
209.13179	0.9
210.11441	0.5
211.14867	0.6
219.11389	0.6
219.17462	0.5
221.10815	0.5
221.13203	0.7
223.08157	0.5
223.14873	0.8
239.17924	1.1
257.18994	2.0
275.20111	6.1
291.19754	0.8
331.22543	0.8
340.14349	0.5
349.23746	0.9
363.15628	0.8
364.16638	0.6
377.17599	1.8
378.18362	0.8
379.19174	0.5
389.17624	0.8
390.18625	0.6
391.19052	1.5
392.20090	1.0
393.20554	1.4
399.16437	1.0
400.16776	1.1
401.17532	1.8
402.18347	0.7
403.19241	0.8
405.16266	0.7
405.20740	1.6
407.22305	3.3
413.17572	1.1
414.18527	0.7
415.19284	2.5
417.21063	1.0
418.18448	1.2
419.18622	2.1
421.20169	1.5
427.18939	0.9
428.20242	1.1
429.20724	2.1
430.21722	1.0
431.18207	0.9
433.15582	0.8
433.20474	1.0
435.21591	1.5
443.22495	1.2
444.19263	1.5
445.20206	1.1
446.20959	1.4
447.17538	2.8
448.18549	1.2
449.23138	1.5
457.20618	0.8
458.20990	1.4
459.17746	1.0
461.19522	3.0
462.20169	1.7
463.20850	1.4
470.16827	0.6
471.22592	3.6
472.18088	0.8
473.18896	2.5
474.20044	2.2
475.16364	0.8
475.21255	1.9
476.22351	0.8
477.22974	0.5
479.20129	0.6
483.21811	0.7
484.18695	0.8
485.19522	1.9
486.20380	1.9
487.19702	0.5
489.18811	1.6
489.22495	4.4
490.19189	4.2
491.20438	1.9
492.21127	0.6
493.22144	0.8
499.21341	8.0
500.18805	1.1
501.23563	2.8
502.19894	0.7
503.20685	3.4
507.23489	1.7
508.24594	0.8
511.33905	0.6
513.19043	2.9
514.19879	1.2
516.21698	1.0
517.22327	12.4
518.22516	1.8
519.19769	0.8
527.20862	1.6
529.22278	5.7
531.20099	2.0
531.37976	0.8
535.23230	2.7
536.23700	1.0
545.21808	18.5
546.21906	1.3
547.23303	0.7
549.39569	1.1
555.20367	1.0
563.26599	3.0
564.23804	2.7
565.90027	0.5
573.21332	6.8
577.24536	2.5
591.22430	3.2
595.25616	0.6
605.23865	31.7
605.40259	3.1
606.24420	2.7
623.24847	100.0
623.41687	17.6
624.25159	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	623.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01849	1.5
55.05502	6.9
57.03420	1.0
57.07051	1.0
59.04982	0.4
65.03915	0.5
67.05494	11.7
69.03407	1.1
69.07055	5.0
71.04976	0.8
71.62600	0.4
79.05476	9.2
81.03404	4.4
81.07047	9.5
83.04960	1.2
83.08610	3.1
85.06519	0.9
91.05460	8.8
93.07028	7.4
95.04947	2.6
95.08586	6.7
95.92562	0.4
97.02856	0.5
97.06493	1.5
97.10142	3.9
103.05445	0.6
105.07014	9.3
107.04927	1.3
107.08580	6.0
109.06516	1.1
109.10141	3.8
111.08095	1.0
115.05369	0.9
117.06989	4.9
119.08566	5.5
121.06425	0.6
121.10154	2.3
123.08031	0.6
123.11666	1.0
125.09615	3.1
128.06209	1.4
129.06958	3.5
130.07759	0.5
131.08549	4.5
132.08061	0.5
133.06485	0.9
133.10089	3.6
135.07990	1.4
135.11649	1.2
137.09601	0.6
141.06960	1.8
142.07741	1.0
143.08540	3.4
145.06441	0.5
145.10103	3.9
147.08028	0.9
147.11670	2.4
149.13260	0.7
153.07034	0.5
154.07692	0.4
155.08492	2.2
157.10091	2.6
159.08008	0.6
159.11627	2.7
160.05266	0.5
161.05917	0.7
161.09637	0.7
161.13206	1.2
163.11215	1.2
167.08537	1.1
169.10107	3.6
171.08025	0.5
171.11627	2.6
173.05937	1.0
173.13222	1.2
175.11200	0.6
179.08525	0.5
181.10104	1.7
183.11710	2.9
185.09602	0.5
185.13138	2.0
187.11137	0.5
189.11172	1.5
193.10062	0.7
195.11636	2.0
197.13304	2.4
199.11095	0.5
199.14854	1.2
207.11630	1.2
209.10730	0.8
209.13197	1.2
211.14777	1.3
213.16338	0.7
215.97711	0.4
219.11731	0.6
221.13202	0.6
221.15477	0.4
223.13066	0.8
223.14955	0.9
225.10495	0.4
225.16196	0.6
227.12701	1.8
227.17805	0.6
233.13188	0.5
235.14737	0.9
239.17906	1.0
241.19460	0.6
253.19427	0.7
257.19009	0.9
259.20648	0.9
271.13312	0.6
271.16898	0.7
273.14603	0.5
273.18433	0.6
275.20065	2.6
289.17957	0.6
291.19562	3.5
297.21594	0.4
298.13181	0.8
299.23810	0.5
309.22092	0.5
313.21487	0.5
314.13269	0.5
315.23224	1.1
316.13690	0.4
335.26044	0.6
337.21402	0.5
351.26633	0.5
360.14853	0.6
363.16071	0.7
363.26648	0.8
373.14697	0.6
375.16064	1.1
376.16885	0.9
377.17657	2.5
377.28537	0.5
378.18292	1.7
379.18988	0.9
379.29871	1.5
386.15005	0.7
387.16074	0.6
388.17371	0.6
389.17896	0.7
390.18771	0.9
391.19455	2.9
392.19833	1.6
393.20670	3.5
399.16006	1.2
400.17004	1.8
401.17606	2.9
402.18619	1.1
403.19052	1.9
404.15857	1.1
404.20578	0.7
405.16379	1.9
405.21112	1.2
406.21918	0.6
407.22629	2.4
408.22708	0.5
413.17676	1.5
414.18292	1.2
415.19315	3.5
416.19672	1.5
417.16461	0.9
417.21161	1.3
419.18680	3.0
420.19278	0.9
421.19925	3.5
425.17569	0.6
426.19489	0.5
427.19229	1.2
428.19781	1.7
429.20700	1.9
430.21439	1.8
431.17804	0.6
431.22284	1.5
432.19180	0.7
433.16022	1.3
433.20398	0.9
433.30130	0.5
434.16290	0.6
434.21356	0.8
435.22556	1.9
443.18015	1.4
443.22525	1.9
444.18784	2.1
445.19943	1.5
445.24832	0.7
447.17487	4.0
448.18497	3.2
449.19388	3.2
451.31989	0.6
456.19049	1.1
457.20337	1.2
458.20886	1.5
461.19547	2.9
462.20093	2.2
463.20889	2.4
465.22632	0.5
469.33182	0.6
471.22266	5.0
472.22803	1.2
473.18640	2.7
474.20575	1.5
475.16263	0.5
475.21075	2.9
476.17474	1.9
477.18860	2.4
477.23383	1.3
479.24307	0.8
484.18732	0.6
485.19647	1.5
486.20108	3.1
487.24838	0.9
489.18546	1.7
489.22656	3.2
490.19223	3.6
491.20282	1.4
491.24924	0.7
499.21201	13.0
500.18195	1.5
501.23254	3.5
503.20670	4.2
507.24344	3.4
508.24670	0.8
511.21335	0.6
511.34180	0.5
513.19202	1.3
513.36975	0.6
514.19568	0.6
516.20990	0.9
517.22284	7.4
518.22076	1.3
525.35730	3.1
527.20929	2.1
529.22180	6.7
530.21991	0.6
531.20050	0.9
531.38135	1.5
535.23438	8.3
536.23450	1.8
545.21619	25.6
546.21735	2.3
547.27075	3.8
549.25201	2.7
549.38849	1.0
550.25543	3.0
554.35522	0.7
555.20117	1.4
563.22632	12.1
564.23071	3.4
567.40662	0.5
573.21252	7.1
574.21887	0.6
579.29382	1.3
587.40668	0.7
591.26447	2.8
595.24927	1.3
605.23761	54.4
605.41632	5.6
606.24249	4.5
623.24835	100.0
623.42401	31.9
624.25037	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	623.1596
Annotation	Kaempferol 3-[2'''-acetyl-alpha-L-arabinopyranosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
51.61254	0.3
53.03926	1.3
55.01833	1.0
55.05468	0.4
57.03432	2.2
59.04990	1.3
61.02887	0.9
67.05445	0.9
68.99751	0.6
69.03419	22.9
69.07020	0.4
71.01320	0.8
71.04990	1.7
71.62854	0.4
73.02908	2.4
77.39735	0.3
81.03409	6.1
81.07014	0.7
83.04932	0.8
85.02891	13.0
87.04438	0.6
89.05990	0.8
91.05434	0.8
93.07006	0.7
95.04954	0.5
95.08591	0.8
97.02878	17.4
97.06466	0.4
99.04435	1.7
103.03892	1.3
103.07531	0.8
105.06983	0.9
107.04900	0.6
107.08553	0.7
108.35799	0.3
109.02217	0.4
109.02864	5.4
109.10110	0.9
111.00738	0.9
111.04401	1.2
115.03915	10.0
117.06981	0.4
118.97420	0.3
119.04942	0.3
119.08533	0.7
121.02844	1.7
121.10155	0.3
123.04379	0.6
123.08060	0.3
127.03897	5.0
129.05495	1.8
133.06529	0.3
133.08566	0.5
133.40868	0.3
135.04376	0.3
135.08025	0.7
137.02321	2.4
137.05928	0.6
137.09540	0.9
139.03839	0.4
145.04909	1.0
145.10243	0.4
147.04379	2.0
149.02292	0.5
149.09608	0.3
151.03903	0.3
153.01802	5.2
153.05476	0.3
157.04886	1.0
158.81093	0.3
161.05910	0.4
161.09589	0.3
161.71725	0.3
163.03816	0.8
163.11148	0.5
165.01822	2.4
165.09085	0.6
167.15623	0.3
169.04895	0.5
173.05931	0.4
175.05994	6.7
177.05359	0.7
179.03404	0.3
183.02892	1.5
187.06003	4.3
189.07509	0.7
191.03252	0.3
195.02747	0.5
201.05441	0.9
205.04935	0.4
205.06966	0.7
213.05362	0.7
223.05896	0.7
229.04900	3.5
229.07027	0.4
233.11812	0.3
241.04916	0.7
247.06007	0.6
257.04446	2.5
258.05295	0.5
273.07455	1.9
285.03964	1.3
285.07104	0.4
287.05453	75.6
288.05847	1.5
303.04941	100.0
304.05283	1.4
329.06653	0.4
395.08005	0.3
449.04453	0.5
449.10696	7.0
490.11880	0.3
491.11487	0.7
533.23529	0.3
557.77814	0.4
594.91150	0.3
623.24390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01846	6.6
55.05503	10.0
57.03428	22.8
57.07066	29.5
65.03931	4.1
67.05492	52.3
69.07053	10.0
71.04963	2.1
71.08618	16.8
71.62760	2.9
72.03899	1.6
79.05482	24.5
81.03413	2.5
81.07043	26.7
83.04966	2.7
83.08606	9.7
85.06522	10.4
85.10175	9.0
89.95948	1.8
91.05465	24.4
93.07027	20.6
95.04955	55.9
95.08588	23.1
97.06528	4.0
97.10124	3.4
105.07007	16.3
107.04926	8.3
107.08571	14.0
109.06498	58.6
109.10138	8.2
111.08066	3.0
113.05988	30.9
117.06977	9.8
119.08518	8.9
121.06477	4.7
121.10141	4.0
123.08035	4.8
123.11670	2.4
128.06200	2.0
129.06969	6.4
131.08549	17.2
133.10098	7.1
135.08026	46.2
135.11650	6.4
137.05981	2.2
143.08568	9.0
145.10098	10.3
147.07985	4.0
147.11691	3.1
149.09618	4.8
149.13239	2.1
157.10062	6.6
159.08040	2.4
159.11685	5.3
161.09618	7.0
163.11133	2.1
171.11696	3.9
173.13336	2.8
175.11197	2.2
177.12628	3.7
183.11661	2.6
184.07445	2.7
185.13237	1.8
199.14825	3.0
201.12680	2.4
217.15843	13.3
227.17929	2.8
233.15355	2.4
245.18835	3.0
250.35335	1.7
255.17482	2.3
273.18472	36.7
291.19489	100.0
292.19727	4.7
313.27332	46.5
314.27518	3.3
316.52029	1.8
347.22076	9.9
365.23138	13.4
447.21661	3.6
474.20108	1.9
475.21191	5.2
487.20804	3.9
533.25201	7.0
549.31000	2.0
561.24994	15.5
585.45197	8.3
586.44379	2.3
591.43176	1.8
603.46063	47.3
604.46429	6.7
621.26910	23.5
622.26984	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	621.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.9
55.01862	6.0
55.05254	4.1
55.05503	45.5
57.03424	5.5
57.07053	4.7
59.04973	2.2
59.16156	2.2
65.03932	2.6
67.01842	2.5
67.05162	3.3
67.05496	39.9
69.03419	61.6
69.07057	50.1
69.07440	2.9
69.30303	25.1
71.01355	3.7
71.04977	16.0
76.28606	2.1
79.05483	27.2
81.02970	3.5
81.03409	50.8
81.06567	4.2
81.07043	86.2
83.04971	25.1
83.08608	15.0
85.02895	26.6
85.06528	12.1
86.09708	3.6
87.04439	2.2
91.05460	29.3
92.78918	2.4
93.07025	52.1
95.04958	26.7
95.08593	71.0
97.02866	13.4
97.06518	12.4
97.10154	91.8
98.21507	4.4
99.04450	14.1
99.08044	6.9
105.07007	45.9
105.07664	3.3
107.04926	10.2
107.08579	44.2
109.02856	33.0
109.06488	19.7
109.09445	3.7
109.10148	57.2
110.10508	2.5
111.04417	22.8
111.08072	10.1
111.11685	8.5
112.07710	2.0
113.05927	2.4
113.09650	3.3
115.03966	2.9
115.05415	3.1
117.07005	11.3
119.04912	7.1
119.08558	31.2
121.02872	8.5
121.06498	12.2
121.10123	37.6
121.76118	2.3
123.04404	13.5
123.08053	6.8
123.11684	44.9
125.02316	2.4
125.05984	5.6
125.09622	25.3
127.03893	22.6
127.11236	3.1
128.06194	4.3
129.05478	18.9
129.06989	9.1
131.04913	4.7
131.08582	14.2
133.06483	6.7
133.10098	26.0
134.10382	2.8
135.04414	2.3
135.08040	13.6
135.11691	18.7
137.05933	8.2
137.09578	14.1
137.13194	5.6
138.09219	2.5
139.03879	8.1
139.11163	17.8
141.09097	3.8
142.07739	4.6
143.08549	8.3
143.10667	24.5
145.06470	8.0
145.10092	18.6
147.04390	17.0
147.08034	8.0
147.11664	31.1
149.05963	3.1
149.09616	12.4
149.13260	16.2
151.03891	3.9
151.07504	11.0
151.11174	15.7
153.01801	28.4
153.12753	5.2
155.08548	4.3
155.10577	4.0
156.09242	2.6
157.06500	2.3
157.10147	11.2
157.12221	4.3
159.08035	6.3
159.11658	21.9
161.05934	2.8
161.09595	9.7
161.13232	13.8
163.03929	3.5
163.07526	4.2
163.11145	12.7
163.14795	3.8
165.05531	5.1
165.09030	13.8
165.12738	8.9
167.10654	4.3
168.10910	2.1
169.10114	4.5
169.12254	2.8
171.02867	15.1
171.10278	3.7
171.11702	8.4
173.04529	2.5
173.09622	8.1
173.11807	3.8
173.13123	10.6
175.07465	3.1
175.11157	8.7
175.14833	5.6
177.05478	9.2
177.09097	3.1
177.12756	8.6
177.16368	2.9
179.03339	2.6
179.07140	2.6
179.10649	4.2
179.14249	2.1
183.11691	6.5
184.07269	3.6
185.09547	6.1
185.11696	3.8
185.13225	5.4
187.11197	5.6
187.14746	7.9
189.07561	4.7
189.09125	4.5
189.11171	8.9
189.12737	7.9
189.16350	2.9
191.10683	3.1
193.08517	3.2
193.12218	7.4
193.15906	2.5
197.13132	3.1
199.11224	2.7
199.14818	3.4
201.16428	3.6
203.10577	4.1
203.14320	4.9
203.17900	2.3
205.12181	3.5
205.15929	3.3
207.02815	5.1
207.13718	3.8
209.13228	3.9
211.11317	2.8
211.13298	5.8
213.12779	6.1
215.14302	2.9
217.04880	4.3
217.12257	2.3
219.06456	4.0
225.12798	3.0
227.14349	4.6
229.15913	2.5
231.10202	2.6
231.13812	4.0
235.02191	4.3
241.16022	2.5
245.04352	2.7
245.15422	2.7
247.16969	4.6
257.22733	2.8
265.18152	2.9
267.16013	4.0
271.13373	3.4
273.07492	23.6
273.14771	4.4
279.06482	2.4
285.22046	2.9
287.05472	38.1
287.08466	4.0
289.14307	13.2
291.22937	2.5
297.13266	3.0
301.14404	6.5
303.23108	14.5
305.24619	3.2
309.07532	2.5
315.08636	7.1
315.14340	6.5
319.15582	3.4
321.24152	19.0
325.07050	9.1
325.10593	2.8
339.25305	3.8
351.08533	2.7
353.10370	3.0
363.25137	4.0
369.09485	3.9
371.07516	7.8
399.24915	3.3
405.26273	3.1
411.24902	4.8
415.10095	9.8
417.26340	7.4
429.26315	27.0
433.11261	100.0
434.11597	11.9
441.18741	5.1
447.27393	54.1
449.29196	3.1
453.28418	7.8
455.09445	2.9
459.19595	3.9
459.26999	4.2
465.28381	57.2
483.29453	30.5
565.28693	2.5
585.30371	6.3
603.31152	2.8
621.32910	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	621.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	8.9
55.01862	6.0
55.05254	4.1
55.05503	45.5
57.03424	5.5
57.07053	4.7
59.04973	2.2
59.16156	2.2
65.03932	2.6
67.01842	2.5
67.05162	3.3
67.05496	39.9
69.03419	61.6
69.07057	50.1
69.07440	2.9
69.30303	25.1
71.01355	3.7
71.04977	16.0
76.28606	2.1
79.05483	27.2
81.02970	3.5
81.03409	50.8
81.06567	4.2
81.07043	86.2
83.04971	25.1
83.08608	15.0
85.02895	26.6
85.06528	12.1
86.09708	3.6
87.04439	2.2
91.05460	29.3
92.78918	2.4
93.07025	52.1
95.04958	26.7
95.08593	71.0
97.02866	13.4
97.06518	12.4
97.10154	91.8
98.21507	4.4
99.04450	14.1
99.08044	6.9
105.07007	45.9
105.07664	3.3
107.04926	10.2
107.08579	44.2
109.02856	33.0
109.06488	19.7
109.09445	3.7
109.10148	57.2
110.10508	2.5
111.04417	22.8
111.08072	10.1
111.11685	8.5
112.07710	2.0
113.05927	2.4
113.09650	3.3
115.03966	2.9
115.05415	3.1
117.07005	11.3
119.04912	7.1
119.08558	31.2
121.02872	8.5
121.06498	12.2
121.10123	37.6
121.76118	2.3
123.04404	13.5
123.08053	6.8
123.11684	44.9
125.02316	2.4
125.05984	5.6
125.09622	25.3
127.03893	22.6
127.11236	3.1
128.06194	4.3
129.05478	18.9
129.06989	9.1
131.04913	4.7
131.08582	14.2
133.06483	6.7
133.10098	26.0
134.10382	2.8
135.04414	2.3
135.08040	13.6
135.11691	18.7
137.05933	8.2
137.09578	14.1
137.13194	5.6
138.09219	2.5
139.03879	8.1
139.11163	17.8
141.09097	3.8
142.07739	4.6
143.08549	8.3
143.10667	24.5
145.06470	8.0
145.10092	18.6
147.04390	17.0
147.08034	8.0
147.11664	31.1
149.05963	3.1
149.09616	12.4
149.13260	16.2
151.03891	3.9
151.07504	11.0
151.11174	15.7
153.01801	28.4
153.12753	5.2
155.08548	4.3
155.10577	4.0
156.09242	2.6
157.06500	2.3
157.10147	11.2
157.12221	4.3
159.08035	6.3
159.11658	21.9
161.05934	2.8
161.09595	9.7
161.13232	13.8
163.03929	3.5
163.07526	4.2
163.11145	12.7
163.14795	3.8
165.05531	5.1
165.09030	13.8
165.12738	8.9
167.10654	4.3
168.10910	2.1
169.10114	4.5
169.12254	2.8
171.02867	15.1
171.10278	3.7
171.11702	8.4
173.04529	2.5
173.09622	8.1
173.11807	3.8
173.13123	10.6
175.07465	3.1
175.11157	8.7
175.14833	5.6
177.05478	9.2
177.09097	3.1
177.12756	8.6
177.16368	2.9
179.03339	2.6
179.07140	2.6
179.10649	4.2
179.14249	2.1
183.11691	6.5
184.07269	3.6
185.09547	6.1
185.11696	3.8
185.13225	5.4
187.11197	5.6
187.14746	7.9
189.07561	4.7
189.09125	4.5
189.11171	8.9
189.12737	7.9
189.16350	2.9
191.10683	3.1
193.08517	3.2
193.12218	7.4
193.15906	2.5
197.13132	3.1
199.11224	2.7
199.14818	3.4
201.16428	3.6
203.10577	4.1
203.14320	4.9
203.17900	2.3
205.12181	3.5
205.15929	3.3
207.02815	5.1
207.13718	3.8
209.13228	3.9
211.11317	2.8
211.13298	5.8
213.12779	6.1
215.14302	2.9
217.04880	4.3
217.12257	2.3
219.06456	4.0
225.12798	3.0
227.14349	4.6
229.15913	2.5
231.10202	2.6
231.13812	4.0
235.02191	4.3
241.16022	2.5
245.04352	2.7
245.15422	2.7
247.16969	4.6
257.22733	2.8
265.18152	2.9
267.16013	4.0
271.13373	3.4
273.07492	23.6
273.14771	4.4
279.06482	2.4
285.22046	2.9
287.05472	38.1
287.08466	4.0
289.14307	13.2
291.22937	2.5
297.13266	3.0
301.14404	6.5
303.23108	14.5
305.24619	3.2
309.07532	2.5
315.08636	7.1
315.14340	6.5
319.15582	3.4
321.24152	19.0
325.07050	9.1
325.10593	2.8
339.25305	3.8
351.08533	2.7
353.10370	3.0
363.25137	4.0
369.09485	3.9
371.07516	7.8
399.24915	3.3
405.26273	3.1
411.24902	4.8
415.10095	9.8
417.26340	7.4
429.26315	27.0
433.11261	100.0
434.11597	11.9
441.18741	5.1
447.27393	54.1
449.29196	3.1
453.28418	7.8
455.09445	2.9
459.19595	3.9
459.26999	4.2
465.28381	57.2
483.29453	30.5
565.28693	2.5
585.30371	6.3
603.31152	2.8
621.32910	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	621.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01866	5.5
55.05500	20.5
57.03428	8.4
57.07045	1.5
59.04989	1.8
61.02911	1.0
62.46782	0.8
65.03431	0.8
65.03918	3.0
67.05492	34.0
68.99767	1.2
69.03411	21.8
69.07054	11.7
71.01325	2.2
71.04983	10.0
71.62620	1.2
73.02887	1.2
78.72003	0.8
79.05480	34.3
81.03403	100.0
81.07040	41.1
82.03729	2.0
83.04965	17.5
83.08601	20.3
85.02890	20.6
85.06520	4.9
86.09671	2.1
87.04463	1.4
91.05466	40.0
92.05788	1.0
93.07027	23.7
95.04948	36.6
95.08593	18.0
97.02872	17.0
97.06509	7.0
97.10154	11.0
99.04469	4.1
99.08103	2.1
101.06004	1.3
102.45104	0.8
103.05439	2.5
105.03400	1.0
105.07016	29.4
107.04939	12.3
107.08575	16.0
107.50522	0.8
109.02853	22.6
109.06500	8.6
109.10141	10.5
111.04426	13.2
111.08063	9.5
113.05999	1.8
113.44366	0.9
115.05438	3.5
117.06995	8.8
119.04936	4.2
119.08564	23.7
121.02868	2.1
121.06485	8.8
121.10132	13.1
123.04424	8.5
123.08044	5.0
123.11684	22.5
125.02337	2.8
125.09610	7.5
127.03880	12.5
128.06190	3.2
129.05492	6.4
129.06976	15.2
131.04916	4.6
131.08545	15.8
133.06480	6.6
133.10098	12.6
135.04405	1.9
135.08047	3.6
135.11670	5.9
137.05966	3.7
137.09587	5.1
137.13231	0.9
138.09183	1.3
139.03876	1.4
139.11189	2.4
141.06982	2.4
142.07768	3.1
143.08540	4.6
145.04886	0.9
145.06464	5.4
145.10092	8.7
147.04359	8.6
147.08003	6.2
147.11662	19.5
147.12764	1.4
149.05968	2.6
149.09595	7.8
149.13194	0.9
151.03888	1.0
151.07526	1.8
151.11179	2.5
153.01805	12.2
153.07034	1.3
153.09065	1.0
153.12698	1.9
155.08549	3.3
157.06494	2.9
157.10112	13.8
159.08057	3.4
159.11670	4.5
161.05893	4.0
161.09656	4.3
161.13254	1.4
163.03784	1.3
163.07503	1.8
163.11125	5.9
164.07043	2.4
165.05486	1.5
165.09103	3.8
165.12685	5.1
167.07089	1.1
167.08522	1.7
169.10080	2.1
169.12233	4.2
171.02875	8.9
171.04305	1.1
171.07983	1.3
171.11650	3.5
173.04440	5.5
173.06003	2.5
173.09595	3.2
173.13220	1.5
174.06732	1.1
175.03819	1.3
175.07515	1.5
175.11166	11.3
177.05452	2.6
177.12712	2.0
179.03362	1.1
179.08519	0.9
181.10109	1.1
181.12204	3.4
183.07973	1.1
184.07330	2.7
185.05960	1.4
185.13283	1.2
187.07521	2.4
187.11203	1.5
187.13338	1.6
189.05487	3.0
189.07559	2.4
189.09167	1.5
189.11194	2.7
189.12723	2.5
191.10654	3.1
193.10402	2.2
193.12193	29.7
195.02885	2.0
195.11598	1.1
197.13235	1.9
199.11179	1.6
201.12711	1.0
203.10684	1.0
205.12218	3.3
207.06465	1.2
207.13808	1.5
211.13237	41.9
212.13376	0.8
213.12843	1.8
215.14317	2.3
217.12253	1.4
219.13835	1.3
223.11281	1.4
223.13200	2.0
227.12563	5.1
229.14180	1.2
231.13800	2.4
235.13205	4.3
237.12729	1.5
243.13803	1.7
247.13287	0.8
249.14752	3.1
255.13831	2.8
259.13300	2.9
267.15845	14.7
271.13306	1.4
273.07507	11.8
273.14786	9.6
277.14484	1.9
283.13037	1.5
285.14581	0.9
285.17001	9.1
287.05450	14.8
289.14407	2.1
291.15857	1.8
301.14218	13.6
301.17032	1.0
301.21658	1.4
303.15588	1.4
303.23322	0.9
309.17014	1.2
313.16220	1.3
319.15381	7.0
321.24286	1.7
333.16766	1.5
337.16443	4.8
347.18677	1.0
355.17599	3.7
367.22659	2.5
375.17798	4.9
385.23627	2.8
393.19135	4.2
403.24780	1.5
411.20148	4.0
429.26337	2.1
433.11200	5.7
437.78177	0.9
441.26282	1.8
442.93613	0.9
447.27176	3.0
459.27420	12.1
465.28271	4.1
477.28494	7.7
483.28867	1.3
493.26184	1.9
495.29239	4.3
529.27802	1.9
543.29846	2.2
557.31000	1.9
561.24756	1.6
567.29376	3.4
573.30359	3.6
585.30426	12.6
603.31580	17.0
621.32532	86.8
622.33331	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	621.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01865	5.7
55.05501	18.3
57.03427	9.3
57.07059	1.0
59.04987	0.9
61.02911	0.7
65.03138	0.5
65.03925	2.7
67.05497	29.6
67.77959	0.5
69.03127	0.6
69.03408	14.4
69.07060	8.5
69.24435	0.5
70.44115	2.1
71.01347	1.0
71.04980	6.8
73.02887	1.3
76.26673	0.5
79.05482	30.4
81.03405	100.0
81.07042	32.7
82.03727	1.3
82.07346	0.6
83.04970	14.9
83.08604	20.5
85.02891	18.8
85.06525	2.3
87.04476	0.6
91.05466	36.9
93.07030	22.3
95.01308	1.2
95.04956	34.8
95.08593	13.1
97.02876	14.2
97.06518	5.6
97.10153	8.3
99.04454	4.3
99.08101	1.5
101.02390	0.8
103.03939	0.9
103.05463	2.2
104.90512	0.5
105.03371	0.6
105.04533	0.6
105.07014	27.5
106.07382	0.5
107.04940	12.6
107.08582	12.9
109.02865	25.2
109.06493	6.8
109.10132	5.2
111.04422	9.7
111.08066	9.4
113.05997	1.3
115.03928	0.6
115.05422	3.4
115.23991	0.5
116.06241	0.8
117.06999	8.4
119.04922	2.7
119.08562	22.1
121.02877	1.8
121.06488	6.9
121.10122	10.9
123.04408	4.6
123.08048	4.4
123.11668	3.1
125.00098	0.5
125.02333	3.2
125.05997	1.0
125.09599	7.3
127.03909	8.7
128.06212	1.8
129.05476	2.3
129.06979	14.1
131.04897	4.7
131.08551	13.7
133.06483	6.4
133.10107	12.4
133.11052	0.8
135.04410	1.7
135.08032	3.7
135.11659	3.4
137.05960	2.1
137.09619	2.8
139.11093	0.6
141.06961	2.6
142.07762	3.6
143.08522	4.0
144.05728	0.8
145.06459	6.0
145.10085	6.7
147.04376	3.9
147.08037	5.6
147.11667	17.3
149.05934	3.2
149.09584	7.2
149.13260	0.7
151.03925	0.9
151.07568	1.7
151.11159	0.9
153.09116	1.2
153.12726	1.5
155.08545	3.2
157.05313	0.5
157.06456	2.6
157.10104	14.4
159.04356	0.8
159.08057	3.0
159.09290	0.7
159.11696	2.0
161.05957	3.9
161.09610	2.1
163.07562	0.9
163.11169	6.6
165.05469	1.8
165.06857	0.6
165.09120	1.8
165.12698	5.0
167.08536	1.5
169.06584	0.9
169.10130	2.2
171.04356	0.7
171.07997	2.6
171.11595	2.6
173.04465	6.8
173.05997	3.5
173.09564	2.5
173.13290	1.2
174.06847	0.6
175.03954	0.5
175.07576	1.8
175.11168	12.3
177.05504	0.7
177.12758	1.6
178.88446	0.6
181.06493	0.6
181.10114	1.2
181.12238	2.1
182.10635	0.6
183.06573	0.9
183.08038	1.1
183.11655	1.3
183.13892	0.6
184.07376	1.6
185.05865	0.9
185.09579	1.0
185.13280	1.8
187.07585	1.9
187.11183	1.0
189.05495	2.3
189.09279	1.3
189.11232	3.2
189.12788	1.4
191.07002	0.7
191.10648	3.2
193.12209	33.7
194.12650	0.6
195.08150	0.7
195.11780	0.9
197.09590	1.0
197.13310	1.0
199.07516	1.2
199.11217	1.7
201.12817	1.0
203.07082	0.9
203.10696	0.8
203.14420	0.7
205.12239	1.5
207.11812	0.5
207.13795	0.8
209.11710	1.3
209.13440	1.3
211.11340	1.4
211.13248	42.2
212.13678	1.0
213.12733	1.9
215.14497	0.7
217.12250	1.5
219.11760	0.7
219.13736	1.0
223.11243	0.6
223.13324	1.4
225.12779	0.8
227.12550	4.6
227.14697	1.1
229.12312	0.6
229.14392	1.2
231.13834	1.7
233.15419	1.1
235.13290	3.1
237.12758	1.7
241.12093	1.1
243.13922	0.8
245.15407	1.0
247.13368	1.5
249.14841	3.1
255.13750	2.7
257.15372	1.0
259.13315	2.3
261.14902	1.3
267.15894	13.1
271.13184	0.7
273.14789	10.7
275.16241	0.6
277.14310	2.0
283.13254	2.1
283.15805	0.9
285.17047	9.4
287.05368	2.5
289.14349	2.3
291.15924	1.2
301.14291	13.8
301.17535	0.8
303.15839	1.7
309.16959	1.1
313.16583	1.0
319.15369	7.3
322.30161	0.6
333.17041	1.1
337.16470	4.7
339.23199	0.8
341.17657	0.8
345.16769	0.8
347.18628	1.4
349.21597	1.1
355.17645	3.1
357.16644	1.2
357.24026	0.7
363.18195	0.7
367.22549	2.8
369.19055	0.6
375.17972	4.7
385.23779	3.8
393.19116	6.6
403.24908	1.9
411.20062	3.5
421.25845	1.4
431.27750	0.6
441.26373	1.0
449.28931	0.7
459.27249	8.5
460.27661	0.7
465.26147	0.7
477.28470	8.0
493.26047	1.2
495.29474	7.5
501.28552	1.5
511.26581	1.3
527.29767	0.6
529.28046	1.1
539.30231	1.4
543.29602	2.0
555.30231	1.0
557.30981	1.4
561.30811	0.7
567.29578	3.0
573.30530	3.5
585.30573	11.8
586.30927	0.9
603.31494	14.3
604.32208	1.6
621.32587	78.3
622.32935	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	621.2695
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
68.88451	0.2
69.38358	2.4
89.24442	0.2
104.40637	0.3
109.06451	0.3
113.02000	0.2
135.87624	0.2
154.16695	0.2
169.97423	0.2
211.13214	0.3
234.71696	0.3
243.37025	0.2
255.68103	0.2
298.13278	0.3
373.14441	0.4
374.15652	0.3
375.16071	0.8
376.17542	0.3
387.16150	0.6
388.16739	0.9
389.17545	2.9
390.18442	1.2
391.19147	0.9
401.17661	0.9
402.18887	1.2
403.19305	3.3
404.20001	2.1
405.20612	1.7
415.19293	0.9
416.16071	0.9
416.20410	0.8
417.16776	1.8
417.21756	2.4
418.16962	0.4
418.21655	0.8
419.22385	4.6
420.22736	0.9
427.19128	0.5
429.20609	0.8
430.16998	0.5
430.22150	0.5
431.17764	3.2
431.22888	1.3
432.19394	1.0
433.20172	0.9
441.21008	0.3
443.18655	0.5
444.19620	0.3
445.20679	3.8
446.21057	3.0
447.21741	6.4
448.22025	0.5
457.19946	0.4
458.21024	0.3
459.17053	3.2
460.18845	1.2
461.19504	2.3
462.20486	0.3
463.21225	0.5
473.18591	1.6
474.20325	7.0
475.21185	13.6
476.21664	1.5
478.23499	0.4
487.21323	3.2
488.22098	1.4
490.23743	0.5
491.24341	0.7
501.23016	2.7
502.23578	0.6
503.20657	0.4
505.26379	1.6
517.22339	0.4
518.22955	0.7
519.20544	0.9
529.22491	0.9
532.24420	0.3
533.25525	7.8
534.25317	0.7
546.22449	0.7
547.23370	0.3
561.24915	32.9
562.25214	3.2
565.27313	0.4
589.24475	1.3
593.27185	0.6
621.26990	100.0
622.27313	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	621.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38164	0.3
55.69220	0.4
56.12503	0.4
69.28645	0.9
69.29050	4.0
73.31921	0.3
77.62843	0.3
83.28975	0.4
90.26875	0.3
160.81514	0.4
184.09846	0.5
303.72491	0.4
374.14941	0.5
375.15768	1.0
387.16138	1.1
388.16846	0.8
389.17627	2.2
390.18274	1.8
401.17569	1.1
402.18338	1.1
403.19315	5.2
404.19992	2.9
405.20605	1.6
415.19565	0.6
416.16135	1.3
416.20602	0.7
417.16943	3.5
417.20889	3.0
418.16849	0.6
418.21457	1.7
419.22305	8.7
420.22925	0.9
429.16681	0.7
430.16989	0.9
430.22095	0.9
431.17941	6.9
431.23514	1.0
432.18875	3.1
433.20059	1.8
443.18445	0.8
444.19342	1.3
445.20117	7.2
446.20926	6.0
447.21701	12.2
448.22318	0.8
458.20813	1.0
459.17261	1.2
459.21951	2.1
460.18878	1.2
461.19653	1.2
473.18631	0.6
473.24030	0.9
474.20282	11.5
475.21234	17.5
476.21478	0.9
487.21237	5.0
488.22086	1.6
501.22723	2.7
505.25607	1.3
518.22821	0.7
529.22369	1.5
533.25391	13.1
534.25885	1.0
546.22644	1.3
561.24890	71.5
562.25226	6.1
589.24463	1.3
593.27777	2.6
621.26971	100.0
622.27246	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	621.2693
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
63.51334	0.2
67.21376	0.2
69.68147	1.8
98.21501	0.4
99.67740	0.2
105.10468	0.2
133.13161	0.2
138.56653	0.2
164.21956	0.2
179.29494	0.2
207.09293	0.4
221.10826	0.3
236.50586	0.2
298.13132	0.2
312.15451	0.3
324.15036	0.3
373.14780	0.3
374.15308	0.4
375.16141	0.6
376.16895	0.3
387.16214	0.7
388.16833	0.7
389.17560	2.7
390.18478	1.0
391.19305	0.6
401.17670	1.0
402.18979	1.2
403.15576	0.4
403.19406	4.3
404.20032	1.9
405.20743	1.9
415.14868	0.3
415.19656	0.5
416.15604	1.2
416.20834	0.4
417.17105	3.5
417.21188	1.7
418.17657	0.8
418.21762	0.8
419.22281	6.7
420.22882	0.7
429.16769	0.5
430.17868	0.9
430.22156	0.7
431.18008	6.4
431.23572	0.8
432.19122	2.7
433.20132	3.0
435.22556	0.3
443.18692	0.5
444.19348	0.7
445.20035	6.2
446.20966	4.9
447.21713	7.2
458.21103	0.5
459.17126	0.7
459.21811	2.0
460.18344	0.4
460.23560	0.3
461.19284	1.3
463.21469	0.4
473.19815	1.2
473.24701	0.3
474.20331	3.7
475.21225	5.6
476.21564	0.3
477.23209	0.3
478.23517	0.4
487.21344	2.6
488.22012	0.4
491.20761	0.9
501.22842	1.7
502.23495	0.4
503.20734	0.3
505.25604	1.0
518.22650	0.4
519.20917	0.7
529.22058	0.5
533.25458	12.9
534.25745	0.4
546.23364	0.3
561.24890	18.6
562.25171	1.2
589.24426	0.7
593.27606	2.7
621.26984	100.0
622.27258	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	621.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.7
57.03413	1.7
61.02906	1.0
65.03931	1.3
67.05492	2.0
69.03407	1.8
71.04977	2.6
71.05728	2.0
72.24553	0.7
83.04967	49.9
85.02891	100.0
87.04451	1.3
87.95327	0.6
111.04420	25.1
121.02850	1.2
127.03915	5.0
129.05460	17.2
134.05209	0.7
137.39679	0.8
159.11679	0.7
171.06500	99.0
178.75745	0.8
189.07559	24.2
211.93167	0.7
287.05475	10.0
299.05502	1.1
311.05417	2.6
329.06534	2.8
457.10751	1.1
475.12115	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2692
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05477	0.3
61.15936	0.2
67.05500	0.3
81.07039	0.5
86.14109	0.2
93.07043	0.4
95.04929	0.2
105.07018	0.4
107.08591	0.2
119.08566	0.4
121.98445	0.2
131.08572	0.4
131.62532	0.2
133.10065	0.3
169.47966	0.2
229.99443	0.2
249.10364	0.3
287.05383	0.3
307.12753	0.2
310.13345	0.3
364.01791	0.3
375.16150	0.9
376.17618	0.4
386.16272	0.2
387.16104	0.5
388.16754	0.9
389.17587	2.8
390.18350	1.3
391.19180	0.6
401.17813	0.8
402.14038	0.5
402.18900	1.2
403.15366	0.6
403.19455	3.9
404.20059	2.1
405.20609	2.4
415.14832	0.4
415.19727	0.5
416.16223	0.9
416.20892	0.4
417.16968	2.8
417.20975	2.2
418.17340	0.7
418.21506	1.0
419.22379	6.6
420.22919	0.8
429.16486	0.3
429.21478	0.4
430.17871	0.8
431.18051	6.6
431.23288	0.7
432.18863	2.9
433.19995	2.5
443.18655	0.5
444.19592	0.5
445.20206	5.1
446.20850	5.5
447.21741	9.1
447.27713	0.5
448.22299	0.5
457.20090	0.5
459.22617	2.7
460.18900	1.1
461.19495	1.7
463.21396	0.5
473.19421	1.2
473.24207	0.7
474.20190	5.2
475.21173	7.0
476.21530	0.5
487.21277	3.3
488.21890	1.0
491.19659	1.1
501.22839	1.5
502.23709	0.4
503.20709	0.3
505.27048	1.0
506.23630	0.4
517.22589	0.4
518.22614	0.4
519.20349	0.6
529.22076	0.6
531.20087	0.2
533.25409	15.1
534.25623	1.2
546.22528	0.4
561.24835	20.9
562.25293	1.8
565.27454	0.3
589.24500	1.2
593.27466	3.7
621.26935	100.0
622.27228	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	621.1802
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
53.03932	0.2
55.05251	0.2
55.05499	2.0
57.03421	0.6
59.04991	0.2
61.02912	1.0
65.03914	0.1
67.01858	0.1
68.99796	0.3
69.03414	39.9
70.68147	0.1
71.01340	1.3
71.04977	4.2
71.05571	0.2
83.04964	10.2
85.02888	4.1
85.03411	0.1
87.00809	0.1
87.04446	0.5
99.04430	0.3
101.06002	0.2
105.03341	0.1
107.04915	0.2
107.28765	0.1
111.00784	0.4
111.04419	11.2
121.02850	1.4
127.03960	0.1
129.05452	24.7
133.02824	0.3
137.02310	0.4
140.07700	0.1
147.04384	0.3
147.06482	0.1
153.01787	1.6
157.06451	0.2
165.01784	1.0
171.06453	0.2
183.02873	0.5
185.05914	0.2
189.07541	9.3
199.03828	0.1
203.03508	0.1
213.05380	0.8
231.06490	0.3
241.04793	0.5
258.05252	0.7
259.05939	0.2
287.05432	100.0
288.05762	0.9
290.20953	0.1
329.06448	0.4
379.08124	0.1
380.11868	0.1
397.08694	0.4
433.11221	11.6
434.11798	0.1
457.10919	0.1
475.12234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1802
Annotation	Sutchuenoside A
Peak:m/z	Relative Intensity
53.03939	0.3
55.01849	0.5
55.05507	4.2
57.03428	2.3
59.04998	0.5
61.02914	2.3
65.03915	0.3
68.99805	0.4
69.03419	2.0
69.89565	0.3
70.75481	0.6
71.01334	0.4
71.04980	43.5
72.00892	0.3
74.70072	0.4
75.04476	4.0
83.04967	21.3
83.27614	0.3
85.02894	13.6
87.04453	5.5
91.05474	0.5
97.02864	0.4
97.06513	0.5
99.04431	1.0
105.07059	0.4
111.00848	0.6
111.04424	54.3
113.02346	0.9
113.05988	23.6
115.03913	3.6
117.05474	11.3
121.02855	1.6
125.05965	1.0
129.05457	74.3
137.05960	1.0
147.04359	0.3
153.01811	2.0
153.05463	1.1
159.87212	0.4
161.91502	0.3
165.01822	1.3
171.06496	24.1
183.02829	0.7
189.07547	46.2
190.07822	0.4
207.57318	0.3
213.05371	0.5
231.06538	0.5
233.11584	0.5
250.14507	0.4
258.05154	0.6
287.05450	100.0
288.05814	1.4
311.44876	0.4
353.00815	0.3
433.11249	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	620.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	17.5
57.07064	8.5
63.90248	4.2
67.05495	47.4
69.07042	15.9
69.72438	10.6
69.72848	25.4
71.04980	4.3
79.05483	40.5
81.07048	41.2
83.04952	7.6
83.08563	10.5
84.04476	10.3
91.05476	45.2
93.07030	62.4
95.04965	11.7
95.08584	30.0
97.06505	5.3
105.07009	45.8
107.08553	28.3
109.06521	8.6
109.10121	14.8
117.07012	12.8
119.08559	43.4
121.10107	18.5
121.58817	4.3
123.08076	7.8
129.06953	12.0
131.08539	18.7
133.10078	30.7
134.10535	4.2
135.11658	13.5
143.08499	10.1
144.06557	14.0
145.10094	21.4
145.11171	4.8
147.11656	41.0
148.31911	5.1
149.13235	10.1
155.01096	4.6
157.10091	11.8
159.11664	13.5
161.09569	6.3
161.13245	25.7
163.14888	5.4
169.10039	6.3
171.11649	29.3
173.09544	5.4
173.13188	12.6
175.14793	9.4
185.13260	9.6
188.69972	5.1
189.12723	8.2
207.13712	22.1
241.19427	27.5
257.19067	5.9
259.20486	60.5
279.15826	16.5
281.17426	68.4
333.24234	48.3
334.31735	5.5
403.19443	6.1
419.22427	7.7
447.21686	8.1
459.94705	5.2
465.33603	8.7
474.20584	7.2
475.21240	6.7
487.21146	5.2
504.02942	4.9
533.25189	18.4
539.37292	62.4
557.37854	19.0
561.24817	35.5
593.27808	8.1
620.43774	6.4
621.26947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16956	0.6
51.02368	0.7
53.03945	3.6
55.01856	1.3
61.02917	4.8
63.41412	0.5
65.03907	1.4
67.05473	2.5
69.03413	1.4
71.04929	0.7
71.18849	1.6
73.02897	0.6
77.03930	0.6
79.05468	1.5
81.03394	2.2
81.12994	0.5
82.10189	0.6
85.02898	2.7
91.05457	4.9
93.07054	0.6
94.04179	0.7
95.04949	44.3
97.02854	1.4
97.04138	0.6
103.05450	4.6
105.04465	2.8
105.07027	0.7
107.04926	2.6
108.02052	1.2
109.02845	0.7
109.06521	1.2
111.04410	0.9
119.04926	7.5
121.02843	2.2
121.06470	2.5
123.04405	65.3
125.02251	0.7
127.03832	1.0
127.07568	1.1
131.04901	18.3
133.01816	0.7
133.02832	9.9
135.04433	1.6
137.05940	11.6
139.03841	0.7
139.07516	1.8
140.04660	15.7
147.04384	10.2
148.04834	0.6
149.05992	3.0
151.03880	2.0
151.07507	4.1
152.04634	1.0
155.07001	36.7
161.05954	2.4
162.06728	1.4
163.03883	2.2
163.07526	14.3
164.04576	0.7
165.05444	6.5
167.07007	46.8
169.04935	0.9
173.05884	0.7
173.08081	0.7
177.05449	3.7
179.07011	11.3
180.04158	0.7
183.06496	100.0
184.06775	0.9
191.07047	1.3
193.04892	1.8
193.08574	1.5
195.06485	14.1
197.08026	0.8
205.08614	2.2
207.06480	4.1
209.08066	2.5
221.08025	1.1
225.07530	61.3
227.09113	5.0
233.08052	2.3
242.18323	0.6
243.08604	15.5
251.09044	2.0
297.74710	0.5
329.13760	1.4
355.11237	1.3
357.13391	1.3
373.12640	2.6
375.14301	5.4
387.14166	2.5
405.15305	1.5
587.24304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.1
57.07058	2.5
60.14880	1.5
60.71431	1.5
65.03932	1.4
67.05492	13.4
69.07050	8.6
70.87708	2.7
70.88038	2.5
71.04961	1.4
71.91746	1.4
79.05495	7.6
81.03377	1.6
81.07038	16.9
83.08595	9.2
91.05472	16.2
93.07013	11.9
95.04965	7.9
95.08056	1.2
95.08591	29.8
97.06513	2.1
105.07011	21.5
107.04942	20.6
107.08562	26.2
109.06503	2.5
109.10125	15.7
117.06995	2.6
119.04926	20.1
119.08556	28.5
121.06471	2.7
121.10126	24.0
123.04382	18.5
123.11698	9.1
125.09587	2.2
128.06100	1.8
129.06938	2.4
131.08501	7.9
133.10117	19.9
135.11681	13.7
137.13205	2.6
143.08542	6.5
145.10083	15.5
147.04381	100.0
147.11649	15.9
149.13190	10.1
153.09100	1.9
155.08519	1.8
157.10097	4.9
159.11656	13.0
161.13220	10.2
163.07475	1.9
163.14801	6.5
165.05441	36.0
165.06848	2.1
169.10101	2.6
171.11646	3.8
173.09566	2.5
173.13213	7.4
175.14796	13.6
177.09041	3.0
177.16362	13.8
183.11594	1.7
184.07239	1.8
185.13191	3.3
187.14778	12.6
189.16351	18.9
191.17914	7.3
197.13277	1.8
199.14828	2.5
201.16359	16.7
203.17902	23.3
205.15857	4.8
207.17372	3.1
211.14815	1.9
213.16267	7.6
215.17912	20.2
217.19565	2.7
219.17422	4.2
221.15408	1.7
225.16411	2.8
229.19409	3.1
235.16833	2.3
241.19479	2.8
247.16829	8.7
249.18500	3.5
255.20772	2.0
261.18451	13.3
267.20999	1.8
269.22531	2.3
286.42291	1.7
299.19882	2.2
391.33414	7.8
394.28860	1.7
407.33044	9.2
409.34628	10.0
411.32516	9.5
435.32288	4.1
437.34045	31.6
455.35138	1.5
507.74164	1.8
521.35980	3.2
525.19049	1.5
582.15955	1.5
598.11902	1.5
610.91632	1.5
619.35150	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	619.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25188	1.4
53.03927	1.7
54.12852	1.2
55.05499	9.1
57.07074	2.5
58.96969	1.5
60.05889	1.3
65.03932	2.9
67.05486	12.5
69.03419	2.8
69.07056	12.3
69.28934	4.5
69.29353	11.3
71.08653	1.3
76.43590	1.2
79.05476	7.9
81.03416	1.9
81.07046	25.8
83.04995	2.7
83.08611	13.7
85.35410	1.4
91.05460	24.1
93.07031	22.8
94.07328	2.5
95.04962	4.8
95.08588	33.4
97.06512	3.9
97.10143	3.1
98.98463	3.2
105.07014	22.7
107.04963	1.6
107.08580	28.9
109.06512	3.6
109.10133	20.6
111.08134	1.9
111.11624	1.3
117.06994	3.3
119.04928	27.5
119.08562	34.0
120.08942	1.6
121.06528	1.6
121.10119	29.3
122.10464	2.2
123.04386	1.9
123.08076	1.8
123.11706	10.8
125.09641	2.1
128.06215	1.8
129.06993	3.2
131.08549	11.2
133.10103	21.8
135.08051	3.1
135.11670	15.8
137.13232	4.8
142.07758	2.0
143.08563	7.1
145.10088	14.5
146.10333	2.6
147.04382	100.0
147.11670	19.7
149.09599	2.0
149.13220	15.4
155.01053	2.4
155.08488	2.5
155.10680	2.1
156.09315	3.3
157.10094	7.3
158.10542	2.1
159.08014	1.8
159.11717	9.7
161.09425	1.7
161.13182	8.2
163.11140	2.8
163.14842	7.7
165.05455	24.5
167.10733	1.7
169.10139	4.5
171.11644	6.3
173.13205	7.5
175.11211	2.1
175.14764	13.9
177.16376	18.2
181.10138	1.6
181.12233	2.4
183.11705	2.0
184.12071	1.7
185.13268	4.5
187.14790	7.5
189.16354	28.0
191.17871	8.4
193.15778	1.9
195.11601	2.7
197.13255	3.8
199.14847	3.0
201.16339	19.6
202.16602	1.5
203.17917	35.3
205.15875	4.9
207.17445	5.8
209.13115	2.3
210.13718	1.7
211.13304	3.9
213.08635	1.4
213.16357	10.7
215.14279	1.4
215.17928	15.0
217.19447	3.3
221.15292	1.8
221.19084	1.8
222.13579	1.8
227.18002	2.3
229.19443	3.4
233.13094	1.6
233.15358	3.5
234.15707	1.6
235.16815	2.7
241.19539	5.4
243.21132	2.0
247.16920	4.7
249.16225	1.8
249.18549	4.8
255.17538	1.6
255.20990	1.8
259.16986	4.8
261.18448	5.2
287.19855	2.5
313.21271	1.4
315.23187	1.4
391.33585	8.8
409.34528	17.1
411.32242	7.5
437.34085	40.0
559.23096	2.9
611.60455	1.4
619.25732	2.1
619.42426	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	619.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05497	6.4
56.55845	0.8
57.07058	3.4
58.74724	0.8
59.04980	1.0
65.03913	1.8
67.05498	9.4
69.07064	6.1
69.29215	9.5
79.05499	5.3
81.07047	15.7
83.04945	1.4
83.08609	9.3
84.08927	0.9
87.04459	7.7
88.04805	1.1
91.05473	15.1
92.52190	0.7
93.07033	11.7
95.04940	2.9
95.08588	26.3
97.06521	1.1
97.10135	2.7
98.98441	2.6
100.04732	0.9
105.07021	17.9
107.08582	23.8
109.06491	1.7
109.09557	1.0
109.10149	11.9
111.08033	1.4
117.06991	2.2
119.04930	22.0
119.08562	25.5
121.06459	1.1
121.10127	20.2
123.08025	1.8
123.11691	9.0
125.05920	1.0
125.09583	1.2
129.06970	1.1
131.08563	4.9
133.10115	18.6
135.07996	1.7
135.11684	11.9
137.09619	1.3
137.13231	2.6
139.07556	1.1
142.07771	1.2
143.08546	4.6
144.09341	1.2
145.10103	12.4
147.04388	100.0
147.11667	13.1
148.04753	1.1
149.09569	0.9
149.13258	7.4
151.07552	1.4
153.09081	2.3
155.01010	1.7
155.08510	1.2
155.10661	0.9
156.09291	0.8
157.10095	3.8
158.10677	1.2
159.11676	11.0
160.12119	0.9
161.13231	10.2
163.11131	1.3
163.14777	4.9
165.05450	27.5
165.09131	1.8
165.12723	1.1
167.10744	0.9
169.10072	1.2
171.11688	3.1
173.11942	1.0
173.13235	5.9
175.11171	0.9
175.14772	13.2
177.09116	1.9
177.16359	11.8
181.12119	1.7
183.11633	2.2
185.13284	1.9
187.14795	6.3
189.16351	18.7
189.18054	1.0
191.17902	6.1
197.13232	1.6
199.14780	1.8
201.16350	16.2
203.17920	26.3
205.15839	2.9
205.19464	1.0
207.13773	1.3
207.17409	3.5
209.13205	1.2
211.13257	4.5
211.15005	1.2
213.16345	4.8
215.17931	18.4
217.19498	0.9
221.15350	2.3
222.15587	1.1
227.17928	1.8
229.19478	2.0
235.16870	3.8
239.17970	1.0
241.19467	2.1
243.21004	1.4
247.16901	7.1
249.18381	2.7
253.19489	1.9
255.21086	1.3
257.22562	1.1
259.16986	1.3
260.73755	0.8
261.18484	12.2
269.22598	1.3
275.20172	1.2
287.19968	2.4
288.20209	1.6
295.24069	1.5
299.20029	1.6
309.11069	1.2
313.21439	1.7
315.23215	1.1
341.24557	1.1
352.23895	1.9
353.24194	3.0
355.26373	1.5
365.13678	0.9
373.14520	0.8
391.33563	7.0
394.28656	1.3
409.34518	8.9
411.32455	7.6
426.26587	1.1
437.34091	38.6
455.34952	1.1
467.23203	1.0
535.15442	1.0
538.36023	1.3
539.36731	7.0
601.42255	1.1
619.42010	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	619.3984
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
51.40494	1.0
52.65202	1.0
55.05503	6.2
57.07068	5.0
63.04219	0.9
63.18162	0.9
65.03943	1.3
67.05495	11.3
69.07060	8.6
69.33044	9.8
71.08591	1.2
79.05473	6.1
81.07037	15.9
82.54726	0.9
83.08602	6.3
87.04454	18.8
88.04806	3.5
91.05460	14.2
93.07042	10.8
95.04965	2.2
95.08594	25.9
96.06624	1.1
97.10139	2.0
98.20779	2.1
98.98467	2.8
105.07022	15.0
107.08577	21.0
109.06483	1.5
109.10140	16.9
111.08064	5.6
117.06989	3.2
119.04926	22.3
119.08566	22.2
121.06517	1.3
121.10124	15.5
123.11671	6.6
131.08548	7.7
133.10123	13.9
135.11684	10.9
137.13263	2.8
143.08530	2.9
145.10110	10.1
147.04385	100.0
147.11674	13.5
149.13226	15.0
153.09062	2.3
155.01024	2.5
157.10106	3.5
159.11674	8.1
161.13240	8.5
163.07573	1.3
163.14799	6.9
165.05466	36.9
165.06863	2.2
169.10097	1.0
171.11761	1.5
173.13194	5.5
175.14812	8.5
177.16338	10.8
183.11685	1.5
185.13260	1.3
187.14798	6.6
189.16359	20.6
191.17900	3.9
193.12231	1.3
197.13293	1.1
199.14810	2.2
201.16354	16.1
203.17937	25.9
203.19727	1.8
205.15814	6.9
205.19566	1.5
207.17422	3.8
211.13309	4.1
213.16362	6.2
215.17932	12.5
216.98584	1.1
217.19504	2.8
221.18773	1.2
227.17908	1.6
235.16937	3.5
241.19469	2.6
243.21101	2.2
247.16904	4.4
249.18483	2.0
255.21071	1.6
257.22656	2.0
259.16876	1.8
261.18497	5.8
287.20135	1.1
289.21600	1.4
391.33600	7.8
397.31116	1.9
409.34598	17.1
411.32413	4.5
425.33853	1.3
437.34125	29.0
455.34775	1.4
521.33746	1.7
619.25275	2.1
619.42200	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	619.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.8
55.01836	2.0
55.05487	8.1
57.07067	9.4
57.45306	2.1
65.03922	2.5
67.05479	16.2
69.07053	14.7
71.63123	2.9
73.77849	1.9
79.05463	6.5
79.29013	1.9
81.03376	1.8
81.07037	23.7
83.08611	10.2
84.21449	1.7
87.04448	51.3
88.04784	9.2
89.06011	2.1
91.05465	20.3
93.07026	16.7
95.08583	33.4
97.06533	2.0
97.10143	2.0
98.98457	5.1
105.07002	20.7
107.08559	24.5
109.06499	3.1
109.10141	18.0
111.08049	2.3
117.06957	3.4
119.04912	28.7
119.08555	38.3
121.06469	2.2
121.10115	29.6
123.04378	2.5
123.11684	12.9
131.08537	7.0
133.10106	21.0
135.11670	16.6
135.35376	1.7
137.13206	3.9
142.07661	1.8
143.08528	4.1
145.10085	18.1
147.04369	100.0
147.11655	19.3
149.09583	2.1
149.13263	11.8
153.06940	1.8
155.00996	2.5
155.08452	1.8
157.10110	5.6
158.10852	2.8
159.11661	13.9
161.13210	12.6
162.24043	1.8
163.14777	6.7
165.05429	23.8
167.10710	2.0
170.66519	1.8
173.11760	1.9
173.13243	6.9
175.14809	13.7
177.16322	18.3
180.38545	1.9
183.11700	2.7
185.13353	2.5
187.14738	4.5
189.16350	22.8
191.17877	7.0
201.16380	19.3
203.17926	32.5
205.15846	6.7
207.17355	4.9
211.13150	8.7
213.16306	4.5
215.17920	22.2
217.19484	2.5
227.17867	2.4
229.19530	3.6
235.16953	3.3
243.21104	3.0
247.16920	8.0
249.18214	2.6
253.19420	3.0
255.21101	3.9
261.18430	14.2
267.21252	2.4
269.22623	2.2
299.20050	2.1
391.33578	10.3
394.28497	3.2
409.34695	16.2
411.32333	11.0
423.38974	2.2
433.03320	2.0
437.34088	47.2
455.34705	3.4
619.25507	3.5
619.33734	3.6
619.43433	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	618.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01860	6.5
55.05257	4.3
55.05505	47.2
57.07072	12.7
57.66163	2.8
58.78947	2.5
59.04993	5.9
64.33176	2.9
65.03924	3.6
67.05160	3.7
67.05496	44.1
69.03423	15.4
69.07051	20.9
70.60262	6.3
71.04979	8.0
79.05486	36.9
81.06573	3.4
81.07049	62.6
83.04977	23.1
83.08610	71.5
85.06522	6.6
87.04471	7.5
89.06036	7.2
91.05468	55.7
93.07034	75.0
95.04962	41.6
95.08591	38.2
95.09149	3.5
97.06517	26.0
97.10126	6.6
98.98421	3.0
99.04436	7.5
103.32200	2.8
105.07020	100.0
106.37074	2.8
107.04950	11.4
107.08583	81.2
109.06506	20.7
109.10145	35.4
111.08084	10.2
113.09644	13.3
115.05425	5.9
116.06234	5.2
117.07009	21.9
119.04929	3.4
119.08566	98.9
120.09438	3.8
121.06491	17.8
121.10130	61.8
123.08070	24.2
123.11702	7.1
125.05988	4.6
125.09614	22.6
128.06212	15.5
129.06992	24.0
130.07799	8.5
131.08545	52.9
132.09323	7.4
133.06448	5.8
133.08582	3.5
133.10126	49.9
135.08022	17.4
135.11685	18.6
137.09644	10.5
139.11211	13.7
141.06981	10.4
142.07750	28.7
143.08546	55.6
144.09311	21.3
145.06464	6.6
145.10110	88.0
147.04382	11.7
147.08023	18.1
147.11674	25.2
149.09602	19.7
149.13187	6.4
151.07539	7.9
151.11111	6.8
153.06987	3.5
155.08539	21.8
155.10603	16.7
156.09358	21.0
157.10109	78.2
158.10786	8.7
159.08029	15.0
159.11678	41.3
160.08826	17.5
161.09599	20.7
161.13242	11.3
163.11151	12.1
165.07022	7.6
165.09100	19.9
165.12766	3.5
167.08562	11.9
167.10672	19.5
168.09351	7.2
168.11063	2.7
168.25768	2.3
169.10100	37.8
170.10855	10.5
171.10210	4.5
171.11632	40.6
172.08871	3.0
172.12167	3.3
173.09683	14.3
173.13216	20.3
175.11215	16.8
175.14830	7.2
177.11288	3.2
177.12770	6.6
177.16502	3.0
179.08530	11.4
179.14336	4.0
180.09303	3.6
181.10127	17.8
181.12192	28.7
182.10902	17.4
183.11655	25.3
183.13113	2.9
183.13832	3.3
184.12488	6.0
185.09575	5.2
185.13269	24.4
186.13976	4.5
187.11186	11.0
187.14697	13.0
189.12692	6.6
189.16365	4.0
190.13499	6.6
191.14287	11.5
192.09344	7.3
193.10143	14.4
193.12039	3.3
194.10918	10.8
195.11674	22.0
195.13550	5.4
196.12424	13.4
197.13258	40.8
199.11201	7.7
199.14812	18.9
201.12749	7.3
201.16354	4.9
203.14323	10.9
203.17995	3.5
205.10202	4.6
206.10953	6.1
207.11694	15.2
207.13774	7.5
208.12434	7.2
208.14566	9.7
209.13252	32.0
209.15327	7.1
210.13963	6.3
211.11247	5.3
211.13141	3.2
211.14853	20.1
213.12769	12.0
213.16385	7.4
215.14259	17.9
218.16570	4.6
219.11642	7.6
220.12465	5.8
221.13199	15.4
221.15366	49.4
222.13937	5.7
223.11281	3.8
223.14832	16.7
224.15503	4.6
225.12761	5.8
225.14549	20.4
225.16681	5.0
227.14323	5.7
229.15965	4.0
231.13785	3.7
231.17479	6.2
233.13203	8.6
233.15370	41.7
234.16051	11.1
235.14793	14.1
237.16386	10.0
239.14079	4.1
245.13239	5.0
246.16251	5.9
247.14803	6.0
247.17017	9.1
249.16312	5.9
251.18137	5.3
253.15878	6.3
255.17429	28.2
257.13129	3.7
259.14755	4.0
261.16379	9.1
263.17853	9.0
265.19531	7.2
267.17514	4.5
269.18994	7.5
270.19824	9.8
271.20590	4.1
273.18427	7.7
275.17831	4.8
277.19424	4.9
279.17569	4.0
281.18933	7.1
285.18588	6.7
286.19296	10.4
287.20102	28.9
295.20435	4.3
297.18494	4.8
299.20142	14.5
303.19724	3.3
307.20462	4.8
311.20135	5.8
312.20920	4.3
325.21570	12.1
331.24551	4.9
337.21609	4.7
337.25262	4.2
345.21942	3.9
349.25336	3.3
351.23395	3.0
352.24002	37.1
353.24341	3.9
361.24982	2.9
365.24777	17.8
367.26166	6.8
378.25381	4.0
383.25684	11.5
391.26239	3.9
395.25629	4.2
399.26978	4.5
414.28693	3.4
437.33945	3.3
457.30997	9.0
472.31940	4.6
507.06192	3.1
512.31952	2.6
525.35437	6.7
538.36389	62.3
541.36591	2.9
582.40698	3.4
600.41254	8.8
618.42688	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	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71168	2.2
52.41468	2.1
52.61753	1.9
53.03921	7.5
55.01855	6.1
55.05252	3.2
55.05505	50.8
55.46218	2.0
57.07072	11.8
59.04976	4.0
65.03923	6.3
67.05495	37.1
69.03414	12.3
69.07052	20.4
69.60766	16.7
71.04962	9.3
71.05310	2.1
71.08612	4.0
79.05484	36.7
81.07047	58.6
83.04972	22.4
83.08132	3.9
83.08609	75.1
85.02911	3.3
85.06522	11.0
87.04473	5.4
88.07602	5.5
89.06020	4.9
91.04892	3.7
91.05466	70.7
93.07032	86.8
93.07617	5.3
95.04958	34.3
95.08035	3.3
95.08590	40.3
97.06532	26.7
99.04428	6.5
99.08079	3.0
103.05454	5.8
105.07018	100.0
107.04958	8.3
107.08585	74.2
109.06515	19.6
109.10150	33.4
111.04465	2.9
111.08093	7.0
113.09602	13.6
115.05453	6.7
116.06284	3.4
117.07008	31.9
119.04923	2.4
119.06123	2.2
119.08567	99.0
120.76820	2.3
121.05760	2.4
121.06480	15.2
121.10126	62.5
123.08062	29.0
123.11672	8.6
125.05915	2.4
125.09614	24.8
127.07535	2.9
128.06200	14.7
129.06998	21.3
130.07791	9.5
131.08557	50.4
132.09297	7.1
133.06514	3.8
133.10115	57.4
134.10870	3.2
135.08055	16.3
135.11661	13.4
137.09607	8.1
139.11165	17.8
141.06976	12.3
141.09058	2.5
142.07774	26.1
143.08542	57.4
144.09355	19.0
145.06458	8.1
145.10115	80.6
146.10820	2.5
147.04379	9.1
147.08046	14.7
147.11674	28.7
149.09637	19.7
149.13263	4.6
151.07515	4.6
151.11142	4.4
153.06949	5.3
153.09103	2.2
154.07758	5.6
155.08577	22.6
155.10646	17.0
156.09311	24.2
157.10115	76.7
158.10847	9.6
159.08064	17.1
159.11676	39.1
160.08841	19.5
161.09593	19.9
161.13200	5.3
162.10234	2.4
163.11192	12.7
163.12325	2.2
163.14825	2.8
165.07011	6.6
165.09102	2.9
165.12776	5.3
166.07826	3.1
167.08586	12.8
167.10667	22.0
167.14349	2.3
168.09306	8.9
168.75940	2.3
169.10097	34.6
169.12270	3.1
170.10901	14.0
170.12128	2.4
171.08023	4.3
171.10245	3.6
171.11646	47.5
172.12421	3.3
172.19090	2.4
173.09601	13.0
173.13254	24.1
174.14009	2.1
175.11136	13.8
177.12691	3.3
179.08601	12.5
179.14313	7.1
180.09312	8.2
181.10092	26.6
181.12224	29.6
182.10931	14.0
182.12430	2.7
183.11661	32.7
184.07404	2.6
184.12453	5.6
185.09566	7.4
185.13251	25.0
186.13976	4.5
187.11122	8.6
187.14809	12.5
189.12717	9.3
189.16423	2.5
190.13409	3.4
191.10495	2.7
191.14314	12.9
192.09291	6.6
193.10089	15.9
193.15869	2.6
194.10870	11.6
195.11690	31.8
195.13524	2.9
196.12439	10.0
197.09621	3.9
197.13226	43.2
198.14098	5.7
199.11153	7.2
199.14798	16.2
200.15561	2.5
201.12689	4.5
201.16348	3.9
203.08409	2.5
203.14194	11.2
205.10222	4.7
205.15746	4.1
206.10890	8.1
207.11656	19.2
207.13757	9.8
208.12460	7.5
208.14420	3.1
209.09602	2.8
209.13205	29.8
209.15321	7.7
210.13985	7.6
211.11272	4.4
211.14769	19.2
212.12022	3.2
212.15584	4.4
213.12714	12.8
213.16313	7.4
215.14333	19.2
217.10071	5.4
217.15805	4.3
218.10977	4.0
218.16631	4.4
219.11690	6.0
220.12422	6.2
221.13206	17.4
221.15367	30.5
222.13890	6.3
223.11157	3.6
223.14821	18.0
225.12698	7.1
225.14821	23.2
225.16226	3.8
227.14352	5.2
227.17761	2.9
229.16016	2.5
230.16862	2.3
231.11662	8.6
231.17397	2.9
232.12415	5.1
233.13171	8.5
233.15305	51.6
234.13914	4.6
234.16017	8.0
235.14783	16.8
237.12677	3.7
237.16508	12.0
239.14383	3.7
239.17926	4.9
241.15958	3.1
243.11600	3.7
243.17534	2.8
244.12540	3.1
245.13243	7.3
246.13959	5.6
246.16197	4.2
247.14743	7.8
247.16988	7.5
248.15465	3.0
249.16325	11.7
249.18530	2.9
251.17967	9.5
252.15405	2.6
253.15829	5.8
253.19388	5.7
255.17416	39.4
257.13278	3.3
259.14774	7.1
261.16318	12.0
263.17969	9.7
265.15939	3.4
265.19479	6.9
267.17407	6.4
268.18286	5.4
269.18896	8.1
270.19781	12.4
270.81259	2.3
271.20401	4.3
272.15240	2.6
273.16016	4.6
273.18546	9.4
275.17761	8.0
277.19583	3.4
281.18924	8.5
282.19656	6.3
283.20477	7.7
285.18591	6.0
286.19147	7.5
287.20209	5.0
289.19458	8.5
293.18796	3.0
294.19766	3.6
295.20493	4.2
297.22086	2.7
299.20068	9.1
309.22128	4.3
311.20200	3.8
319.20648	3.3
322.22998	3.8
325.21725	3.4
329.22528	3.1
331.24121	3.2
334.22928	4.1
335.23703	3.8
337.25275	6.8
347.23740	6.6
348.24472	3.2
349.25311	5.8
359.23856	2.5
360.24438	5.7
361.25046	3.6
365.24731	12.6
367.26294	10.5
383.25772	21.4
399.26807	4.5
414.28763	3.4
415.29971	4.8
429.31531	4.6
457.30905	3.0
475.31662	2.5
490.34857	2.9
564.38342	2.7
574.62872	2.5
582.40417	6.1
600.41205	9.0
618.43036	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01859	6.0
55.05505	41.5
57.07051	9.8
58.12381	3.1
65.03921	4.4
67.05496	38.6
69.03428	13.9
69.07055	21.3
71.04978	6.9
71.62753	5.1
79.05489	30.5
81.07047	56.2
83.04984	22.6
83.08610	58.4
85.02919	3.7
85.06536	7.1
87.04485	5.7
91.05463	49.0
93.07031	69.4
95.04963	27.1
95.08599	37.2
97.06527	20.8
99.04446	4.4
105.07021	100.0
107.04961	8.4
107.08593	74.3
109.06535	15.9
109.10140	28.9
111.08050	9.8
113.09626	10.2
115.05432	6.3
116.06152	3.8
117.06980	22.3
119.04945	5.7
119.08573	68.6
121.06509	13.7
121.10132	61.2
122.10431	4.2
123.08014	16.2
123.11678	7.3
125.09623	22.5
128.06245	12.1
129.06966	16.1
130.07803	4.3
131.08553	41.7
132.09308	5.4
133.06487	5.2
133.10117	46.5
135.08029	13.4
135.11673	6.6
137.09607	10.0
139.11179	14.1
141.06975	9.1
142.07768	18.2
143.08559	45.0
144.09392	8.0
145.10120	73.5
146.10614	4.7
147.04410	7.8
147.08043	16.1
147.11667	29.6
147.98654	3.2
149.09583	17.0
149.13251	4.4
150.03716	3.1
151.11198	3.9
153.07019	4.3
153.09117	3.5
155.08568	18.3
155.10616	15.7
156.09315	15.8
157.10112	59.1
158.10709	6.5
159.08026	11.5
159.11688	26.7
160.08810	12.3
161.09625	12.3
161.13269	8.0
163.11142	6.1
165.06999	7.8
167.08582	10.9
167.10735	17.8
168.11131	5.0
169.10085	24.2
170.10823	9.8
171.11646	31.5
172.08698	3.3
172.12343	5.3
173.09642	7.4
173.13248	14.3
175.11192	12.5
175.14816	8.2
179.08519	11.7
179.14267	7.1
180.09314	7.7
181.10136	19.0
181.12228	22.0
182.10840	9.7
183.11687	26.7
184.12407	4.3
185.09584	4.8
185.13284	22.6
186.14009	3.6
187.11212	4.9
187.14801	12.5
189.12801	6.7
191.14317	10.5
193.10101	12.8
194.10883	4.5
195.11700	27.1
195.13559	4.9
196.12436	5.4
197.13226	35.0
198.13911	6.2
199.11172	5.5
199.14803	15.9
203.14246	6.0
205.10104	4.1
207.11652	9.6
207.13803	6.0
208.12466	8.1
209.13257	25.7
210.13875	3.7
211.14796	20.0
212.15529	5.8
213.12769	5.9
213.16307	6.4
215.14287	20.9
216.14803	3.2
217.15768	5.2
219.11700	5.8
221.13260	14.7
221.15395	22.8
222.13857	4.7
223.14799	13.5
225.12791	6.6
225.14795	17.6
225.16663	5.1
227.14293	5.6
227.17839	3.9
233.13222	6.6
233.15317	42.6
235.14725	9.7
235.16902	4.3
237.16580	7.4
239.17892	6.9
241.15823	5.8
243.17462	3.9
247.14713	8.5
247.17061	4.9
249.16322	7.0
253.15907	5.3
255.17336	27.6
257.18835	4.8
259.14792	5.2
261.16324	8.4
263.17865	9.5
265.19516	5.9
269.18918	6.2
270.19672	7.8
273.18607	8.1
275.17828	5.4
277.19049	3.4
281.18872	4.6
283.20636	5.0
286.19229	7.4
287.20114	5.8
294.19733	3.4
295.20413	6.3
299.19998	4.1
307.20593	4.7
309.22385	4.3
337.25204	7.7
347.23480	7.7
349.25174	5.0
360.24533	4.9
365.24619	6.7
367.26422	5.7
383.25900	16.7
482.84586	3.8
513.01093	3.6
582.40137	5.3
591.62573	4.4
600.41406	11.0
618.42816	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	618.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.2
55.01857	5.2
55.05503	47.7
57.03427	2.6
57.07059	7.9
59.05007	2.0
65.03912	4.9
67.05495	33.8
69.03414	12.4
69.07066	20.5
71.04994	8.4
71.63101	2.0
79.05484	35.5
81.03403	2.0
81.07050	46.9
83.04967	17.6
83.08608	71.4
85.02884	2.1
85.06516	8.0
86.09678	2.0
86.88380	1.7
87.04440	3.4
91.05470	55.1
93.06460	4.0
93.07028	63.8
95.04955	32.5
95.08045	2.8
95.08600	36.2
97.06526	23.7
97.10157	2.7
99.04429	5.7
102.93944	1.6
103.05442	5.5
104.10729	6.0
105.07021	100.0
107.04989	8.5
107.08582	68.9
109.06495	19.3
109.10141	26.1
111.08069	9.4
113.09641	10.1
115.05405	6.4
116.06203	3.1
117.07004	24.2
119.04898	1.8
119.08569	82.2
119.95301	1.8
120.09354	2.3
121.06490	11.6
121.10135	59.6
123.08047	20.3
123.11664	6.1
125.09615	23.1
126.46848	1.7
128.06186	14.5
129.06972	23.7
130.07751	8.5
131.07568	3.1
131.08549	50.9
132.09346	5.1
133.06491	3.7
133.10114	55.2
134.10921	2.0
135.08047	15.8
135.11664	14.7
137.09589	8.1
139.11185	17.4
141.06964	9.5
142.07776	23.3
143.08551	53.9
144.09331	17.9
145.06471	8.1
145.10103	72.1
146.10791	3.9
147.04344	5.1
147.08020	13.9
147.11662	24.7
149.09612	19.7
149.13223	3.5
151.07509	4.0
151.11115	2.2
153.06976	5.1
153.09071	3.3
154.07805	4.8
155.08551	23.1
155.10612	15.7
156.09311	22.6
157.10112	66.9
158.10846	6.9
159.08052	17.5
159.11682	36.7
160.08804	14.1
161.09605	16.8
161.13210	7.2
163.11177	8.3
165.07004	5.2
165.09091	3.3
166.07751	4.3
167.08559	10.6
167.10634	19.7
168.09341	6.3
168.11386	3.4
169.10095	36.5
169.12259	2.4
170.10896	9.8
171.07941	4.5
171.10139	6.4
171.11632	41.0
172.12433	3.4
173.09596	10.7
173.13242	17.9
175.11188	11.9
175.14827	3.4
177.12706	3.4
179.08554	13.3
179.14328	5.3
180.09293	6.3
181.10095	24.1
181.12210	26.6
182.10942	13.9
183.11662	28.9
183.13329	2.7
183.13947	3.0
184.07335	3.7
184.12439	8.2
185.09618	5.0
185.13229	18.4
186.13940	4.6
187.11165	9.9
187.14757	8.4
189.12712	8.7
190.13519	3.0
191.14285	9.6
192.09334	6.3
193.10094	16.7
194.10873	9.8
195.11673	27.9
196.12469	11.8
197.09599	4.9
197.13229	37.6
198.10437	1.9
198.14018	4.2
199.11166	6.3
199.14842	14.5
200.11885	2.5
200.15440	2.9
201.12637	5.0
201.16350	5.8
203.14302	5.9
205.10179	3.5
206.10847	7.4
207.11638	19.0
207.13672	4.6
208.12408	10.5
208.14441	4.4
209.13260	27.7
209.15323	5.3
210.13965	6.7
211.11168	3.1
211.13029	2.2
211.14821	24.8
212.15442	4.7
213.12706	11.7
213.16286	7.0
214.13536	2.3
215.14284	18.7
217.10158	3.1
217.12251	2.0
217.15849	2.9
218.10811	3.1
218.16673	5.1
219.11646	6.3
219.13670	2.9
220.12418	7.3
221.13194	17.3
221.15364	25.5
222.13945	3.8
223.14766	16.5
224.15538	3.8
225.12682	4.5
225.14815	11.7
225.16609	5.1
227.14279	6.8
227.17952	3.6
227.20062	2.2
228.14981	2.8
229.15912	5.2
231.11749	3.9
231.17397	3.3
232.12489	2.3
233.13210	9.2
233.15321	48.7
234.13933	3.6
234.16054	3.1
235.14746	13.8
235.16769	2.6
236.15482	2.3
237.12639	2.9
237.16524	13.7
239.14203	3.9
239.18022	3.3
241.15790	4.0
243.11565	2.3
245.13152	5.8
245.15433	4.0
246.13873	4.6
246.16129	2.9
247.14734	5.6
247.16980	5.7
248.15494	3.3
249.16475	9.2
251.17961	7.3
253.15831	4.0
253.19557	4.3
255.17383	40.1
257.13199	2.4
257.19116	2.8
259.14728	5.5
259.17166	2.0
261.16391	8.7
262.17145	2.4
263.17914	8.3
265.16061	1.9
265.19437	5.3
267.17444	4.7
268.18076	4.0
269.18982	7.3
270.19818	9.2
271.14459	2.2
271.20599	4.2
273.16306	5.6
273.18710	4.4
274.19388	3.1
275.17706	4.3
276.18475	2.8
277.19400	3.0
279.17349	3.8
281.18948	5.4
282.19687	5.0
283.20538	5.6
284.21335	2.5
285.18588	4.3
286.19247	6.6
287.20187	3.0
289.19485	4.5
293.18787	2.9
294.19690	4.2
295.20477	5.5
298.19327	2.5
299.20056	7.1
301.19061	2.8
303.20898	2.1
311.20056	2.4
312.20773	4.3
313.21753	2.9
319.20340	3.4
322.22833	2.5
325.21759	2.7
329.22488	2.4
333.21967	1.9
334.22614	2.8
336.24475	2.3
337.25192	8.2
347.23535	6.1
348.24518	2.2
349.25092	5.1
360.24432	3.9
365.24686	10.2
367.26181	5.4
383.25821	16.8
399.26691	3.3
414.29080	4.0
429.31400	3.8
439.29715	3.7
457.30893	5.2
490.33963	2.4
508.34943	2.1
582.40460	6.2
600.40955	5.0
618.42871	25.6
619.36786	4.0
635.86737	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02338	1.7
53.03936	3.7
55.05500	25.6
57.07057	11.1
64.00962	1.9
67.05486	14.6
67.43428	2.2
69.03404	7.7
69.07048	6.9
70.29604	8.9
71.04958	3.2
71.08624	2.7
79.05477	14.1
81.03458	2.3
81.07038	24.6
83.04966	7.4
83.08602	28.5
85.06530	5.9
87.04458	32.2
90.10793	2.0
91.05452	25.0
93.07030	28.1
95.04963	15.8
95.08593	18.7
97.06494	10.1
99.04414	3.8
105.07005	42.7
107.08587	28.4
109.06535	11.2
109.10150	10.3
111.08064	4.6
113.09631	5.3
115.05457	3.8
117.06992	10.8
118.53985	1.9
119.04907	1.9
119.08559	44.2
120.09328	3.2
121.06483	5.7
121.10117	23.4
123.08018	12.7
123.11665	2.1
125.05962	2.9
125.09585	4.2
128.06201	4.1
129.06978	8.3
130.07768	3.8
131.08563	23.6
133.10100	23.5
135.08035	9.6
135.11653	7.7
137.09581	8.2
139.11169	5.2
141.06972	4.1
142.07732	11.5
143.08540	22.2
144.09344	4.8
145.10092	34.7
147.08032	15.1
147.11661	8.9
149.09596	6.5
149.13278	3.2
151.07530	9.8
155.08553	9.1
155.10612	5.0
156.09325	7.1
157.10112	32.9
158.10893	5.7
159.08075	3.7
159.11699	20.6
160.08791	11.7
161.09587	9.4
161.13255	5.7
163.11156	8.1
165.09096	24.3
167.08501	4.7
167.10657	3.4
169.10048	9.8
170.10844	3.9
171.10207	4.7
171.11676	18.8
172.12469	2.7
173.09618	3.8
173.13177	9.2
175.11133	11.2
175.14806	3.3
179.08508	2.4
181.10100	6.5
181.12228	11.6
183.11652	11.3
184.12498	3.5
185.09598	3.4
185.13239	8.4
187.11205	4.9
187.14752	3.3
189.12708	6.4
190.13506	6.4
191.14282	2.8
193.10124	2.4
193.12210	6.8
194.10863	3.4
194.13136	2.3
195.11679	7.0
196.12386	3.0
197.13188	9.6
199.11142	2.8
199.14755	5.2
201.12694	4.0
203.14284	11.2
207.11642	5.5
207.13765	7.3
208.12518	3.1
208.14534	12.6
209.13229	10.3
211.11287	2.2
211.13107	4.2
211.14821	5.8
213.12648	3.7
219.13812	4.7
221.13341	3.4
221.15320	46.7
223.14737	4.0
225.12723	4.4
225.14516	9.9
227.14207	3.4
231.13760	3.6
233.15224	4.4
234.16130	13.4
237.16356	3.1
246.16003	2.5
247.14734	2.4
247.16809	9.7
271.16989	2.8
271.97919	1.9
273.18631	3.3
274.19055	2.7
286.19287	5.3
287.20016	36.5
299.20004	10.7
303.19537	3.5
312.20770	2.2
313.21637	3.0
325.21515	13.9
329.21014	4.1
337.21597	7.1
339.23218	4.9
352.23907	69.8
353.24393	4.3
365.24478	11.9
367.26068	3.5
395.25620	6.3
432.29562	2.4
450.96753	2.1
472.31522	6.9
473.18945	2.4
520.35535	3.7
525.35895	9.8
538.36438	100.0
539.36591	9.8
618.42499	27.4
619.43176	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	617.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.5
55.05503	2.9
55.31619	0.4
57.07063	0.9
65.03920	1.6
67.05495	5.3
69.03410	1.0
69.07060	2.9
71.62829	0.7
72.08144	0.5
79.05480	3.0
81.03427	0.5
81.07045	7.4
83.04972	5.1
83.08620	1.9
86.09685	0.9
91.05463	17.4
93.07027	6.8
95.04958	2.3
95.08590	9.4
95.09156	0.8
97.06530	1.1
97.10129	0.8
99.08067	0.4
105.07018	8.0
107.04958	0.5
107.08572	9.7
109.06503	2.1
109.09434	0.7
109.10136	8.0
111.08073	1.4
117.06997	1.3
119.04925	26.8
119.08566	12.8
119.09429	0.4
121.06474	0.8
121.10127	7.5
123.04427	0.5
123.08038	1.8
123.11694	2.5
125.06112	0.5
125.09598	1.1
125.47695	0.4
129.06970	1.2
130.07765	0.4
131.08557	3.9
133.10115	8.4
135.08066	1.2
135.11656	4.6
137.09596	1.2
143.08537	2.0
145.10107	9.1
146.10620	0.5
147.04387	100.0
147.11658	6.0
148.04767	1.5
149.09604	0.9
149.13234	2.9
151.07509	0.8
151.11147	0.8
153.09087	1.2
155.08609	0.5
157.10117	2.9
158.10815	0.6
159.11662	8.2
161.09654	0.7
161.13231	5.8
163.11095	0.6
163.14839	2.1
165.05458	3.1
169.10085	1.0
171.11681	2.2
172.12297	0.4
173.13263	3.4
175.14795	4.2
177.09085	0.6
177.12759	0.8
177.16370	2.6
181.10059	0.5
181.12331	0.4
183.11684	1.0
184.07298	0.9
185.13237	1.3
187.11101	0.4
187.14787	10.4
189.16367	6.2
191.14346	0.7
191.17934	1.8
197.13266	1.1
199.14828	1.8
201.16356	8.0
203.14395	0.8
203.17918	2.6
205.15773	2.6
205.19466	0.5
207.17426	0.5
211.14807	1.0
213.16364	1.6
215.14517	0.4
215.17920	5.1
217.15897	2.5
219.17480	2.9
221.15382	1.1
225.16469	0.8
225.58057	0.5
227.17876	0.6
229.15982	0.6
229.19458	0.8
231.17465	0.6
233.15427	0.5
233.18996	1.1
235.16814	1.9
239.17874	0.8
241.19576	1.0
247.16896	3.7
249.18573	1.3
253.19427	0.6
255.21130	0.5
259.16782	0.5
261.18481	3.7
267.21042	0.9
293.22632	1.0
311.23672	0.5
337.25238	0.4
349.28952	0.8
357.27768	0.5
362.43024	0.4
371.29590	0.6
389.31848	1.9
395.29166	2.2
407.33051	7.9
425.34018	1.3
435.32642	3.4
450.71646	0.4
453.33624	6.9
454.33630	0.4
524.81427	0.4
599.41339	0.6
617.35901	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	617.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.4
55.01861	0.4
55.05507	1.0
57.03432	1.2
65.03945	0.4
67.01854	6.2
67.05494	7.6
68.99761	1.7
69.03423	1.8
69.07042	0.7
70.22202	1.0
71.04982	0.5
79.05476	1.3
81.03403	5.0
81.07043	4.1
83.01331	0.5
83.04971	0.5
83.08601	0.3
85.02895	3.4
85.06532	0.3
91.05465	2.1
93.07011	1.7
95.04951	2.1
95.08601	3.1
97.02880	2.0
97.06527	0.3
99.04446	0.9
99.08074	0.4
100.11229	0.4
105.07065	0.5
107.04940	1.6
107.08569	1.5
109.02865	3.8
109.06491	0.8
109.10138	16.6
111.00798	0.5
111.04419	0.4
119.04092	0.2
119.04932	4.5
119.08543	1.6
121.02857	0.8
121.06492	2.3
121.10117	0.7
123.04405	2.0
123.08073	0.2
123.39030	0.2
125.02328	0.9
125.05959	0.5
127.03912	2.5
127.07520	0.2
129.01828	1.0
131.04887	0.3
133.10129	0.4
135.08046	0.8
135.11681	0.2
137.09592	32.7
138.09956	0.2
140.26843	0.2
145.10138	0.5
147.04387	19.7
149.02347	0.4
151.03914	0.9
153.01801	71.1
154.02141	0.4
154.50011	0.2
155.10637	2.0
157.10068	0.3
161.06036	0.2
163.03877	0.4
163.07513	0.4
165.01828	1.5
165.09085	22.5
167.03456	0.3
171.02858	37.0
172.03159	0.2
177.01791	1.6
179.03358	1.7
183.02914	0.9
183.10121	1.6
187.03900	0.5
189.05530	0.4
191.03406	1.4
195.02861	17.4
201.11160	3.1
203.03352	0.2
205.05006	0.4
207.02859	0.5
208.98174	0.2
209.04420	0.4
215.03319	1.4
215.07132	0.3
217.01303	0.5
219.02841	2.7
225.11240	0.3
231.06514	0.9
233.04442	0.6
237.03963	0.5
243.02881	2.0
255.06557	0.4
261.03909	5.4
264.23260	0.2
267.12329	0.3
273.07520	100.0
274.07825	0.9
279.05002	0.7
285.07529	0.4
285.13275	0.5
291.12231	0.7
297.07568	2.2
309.13251	6.2
315.08609	6.1
315.12268	0.5
319.24249	0.2
326.10855	0.2
327.14343	3.5
339.08533	3.7
363.08606	3.5
381.09586	5.0
399.10513	0.4
448.88785	0.2
461.14386	0.5
563.18683	0.3
572.89838	0.2
617.28748	0.4
617.46143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01861	0.6
55.05494	0.8
57.03411	1.0
57.54514	0.3
61.00803	0.3
67.01512	0.5
67.01852	5.4
67.05494	7.4
68.99766	2.1
69.03413	1.5
71.04984	0.6
79.05469	1.2
81.03400	5.3
81.07040	3.6
83.04945	0.4
83.08610	0.3
85.02885	2.8
91.05473	1.6
93.07011	1.6
95.04947	2.1
95.08583	2.4
97.02876	2.2
99.04427	0.6
99.08083	0.3
100.11240	0.7
105.07021	0.4
107.01305	0.3
107.04942	2.0
107.08561	1.0
109.02859	4.2
109.06484	0.6
109.10135	15.2
111.00787	0.5
111.04405	0.8
115.05434	0.3
119.04927	4.4
119.08556	1.1
121.02844	1.0
121.06468	2.4
121.10098	0.3
123.04426	2.1
125.02309	1.0
125.05940	0.8
127.03894	2.3
129.01837	1.4
135.08025	0.5
137.09589	30.9
137.46094	0.3
147.04384	20.4
151.03864	1.1
153.01796	74.0
155.10649	2.2
163.03839	0.3
163.07492	0.3
165.01805	1.9
165.09084	23.8
167.03372	0.4
171.02855	34.2
177.01781	1.9
179.03383	2.3
183.02850	0.8
183.10101	1.8
186.57503	0.3
187.03918	0.8
189.01917	0.3
191.03410	1.6
193.57501	0.3
195.02852	17.1
195.33023	0.3
199.11241	0.3
201.11195	3.1
205.04890	0.5
207.02823	0.5
215.03357	1.3
217.01297	0.6
219.02834	2.3
225.11096	0.4
231.06497	0.4
233.04405	0.9
237.03862	0.3
243.02818	1.5
251.32869	0.3
255.06448	0.4
261.03906	5.2
264.23105	0.4
267.12244	0.4
273.07513	100.0
274.07803	0.9
279.04877	0.6
285.07687	0.6
285.13364	0.5
291.12317	0.5
297.07520	2.4
309.13223	5.1
315.08530	6.4
327.14307	3.1
339.08615	3.2
363.08585	3.9
381.09592	5.5
399.10641	0.6
456.73825	0.3
461.14362	0.8
563.18591	0.6
608.39020	0.3
617.46252	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03936	0.8
55.01871	1.1
55.05508	1.1
55.59684	0.3
57.03432	0.9
61.02894	0.3
65.03936	1.1
67.01855	3.7
67.05500	1.3
67.31423	0.3
68.73855	0.4
68.99770	1.8
69.03426	4.2
69.07057	2.4
70.32404	1.1
71.04984	1.0
77.03967	0.4
79.05486	5.5
80.59070	0.3
81.03405	7.3
81.07037	2.1
83.04969	0.8
83.08632	0.5
85.02901	3.3
91.05466	11.3
93.07013	2.3
95.04968	1.9
95.08590	1.7
96.08115	0.5
97.02878	1.7
97.06533	1.3
99.04457	1.5
105.07017	6.2
107.04940	3.8
107.08582	27.9
108.08105	0.9
108.08846	0.6
109.02868	3.3
109.06503	3.5
109.10154	1.3
110.09705	0.7
111.04451	0.7
111.08041	0.4
111.11725	0.6
115.05440	7.3
117.07003	8.6
119.04954	1.7
119.06048	1.2
119.08579	1.2
120.08093	0.4
120.89072	0.3
121.02903	0.7
121.06497	1.7
121.10157	1.4
123.04404	1.2
123.08039	0.5
125.02344	0.9
125.09623	0.6
126.83991	0.4
127.03945	1.6
129.01834	1.1
131.08559	0.9
133.06448	0.9
133.10124	1.2
135.08038	100.0
135.11656	1.2
136.07474	0.8
136.08389	0.9
137.05998	0.4
137.09558	0.4
139.07542	0.4
139.11192	0.8
145.10149	0.8
147.04395	6.6
147.11757	0.5
148.07544	0.5
151.03918	0.5
153.01811	34.1
153.09074	0.6
153.12749	0.7
154.02159	0.4
163.07526	45.8
163.11192	1.0
165.01810	0.8
166.08618	0.4
167.03427	0.5
167.07076	0.8
167.08945	0.5
171.02866	27.3
175.11168	0.4
177.01843	0.6
177.05434	0.4
179.03415	1.8
181.08577	42.0
181.12152	8.2
181.70248	0.3
183.02896	1.0
189.05563	0.3
189.09055	0.3
190.05074	0.4
191.03377	1.1
191.05098	0.3
195.02870	10.1
199.09644	2.1
199.13332	0.5
215.03288	0.6
219.02890	0.8
237.03882	0.4
237.10242	0.4
238.10492	0.4
239.11295	0.5
243.02823	0.8
245.12506	0.4
251.11713	0.5
252.12111	0.6
261.04037	2.0
264.12094	0.6
267.10889	0.4
273.07538	31.2
274.07971	0.4
279.11194	0.5
280.11490	0.8
281.12180	0.4
282.13226	0.4
283.11249	0.5
284.11099	0.4
285.07434	0.7
285.12054	0.8
286.12543	0.7
287.05466	2.3
287.12836	0.9
297.07462	1.2
297.12241	0.8
298.12491	1.2
299.12991	0.5
309.12598	0.4
310.12625	0.5
315.08591	4.6
324.10587	0.6
325.12845	8.1
326.43729	0.4
337.11353	0.5
338.12125	1.2
339.08508	1.4
339.12469	1.1
343.13901	5.8
343.17792	0.7
363.08582	1.2
381.09503	1.9
399.10434	0.7
417.11588	0.5
431.17612	0.4
432.18179	0.7
434.19556	0.4
449.18924	1.0
450.19278	1.8
451.19839	1.4
452.20709	0.5
462.19244	1.0
477.18140	0.6
478.18829	1.1
479.19904	0.6
480.20157	0.4
490.19162	0.4
491.19977	0.6
492.20300	1.3
494.21765	0.6
573.26294	0.4
597.25531	0.6
615.27216	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01863	2.4
57.03421	0.8
61.02890	0.5
65.03919	1.6
67.05490	3.0
69.03406	2.3
69.07070	2.3
71.04977	0.7
71.61768	0.7
73.02908	0.8
75.04466	3.5
78.04691	1.8
79.05475	3.1
81.03390	1.6
81.07050	2.5
83.04987	0.5
85.02892	5.7
86.09702	0.6
89.03900	0.7
89.06027	1.1
91.05470	9.2
93.03394	10.9
93.07034	6.1
95.04951	4.7
97.02853	1.4
97.06512	2.2
99.04461	0.5
103.05463	6.8
105.03333	0.7
105.07014	9.2
106.04160	22.1
107.04932	2.1
107.08572	1.4
109.02866	0.8
109.06511	1.1
109.10139	18.1
110.07204	0.5
111.08072	1.0
114.53228	0.4
115.05416	2.1
117.03340	0.8
118.04137	1.6
119.04918	1.7
120.05665	0.6
121.06490	28.5
122.07159	0.4
123.04438	1.2
123.08042	0.9
123.11701	4.0
124.05193	0.6
125.05972	6.8
127.03873	1.1
131.04895	3.2
133.06461	9.0
133.10103	1.5
134.03645	3.0
135.04390	1.2
135.08098	0.5
135.11748	0.6
137.05956	4.2
137.09587	0.6
138.06772	0.8
139.07520	2.9
141.01814	0.9
145.02798	1.3
145.04904	0.6
147.04404	2.5
148.05162	3.2
149.05962	42.0
150.06442	0.5
151.03824	1.0
151.07541	2.3
151.11151	6.1
152.08304	0.6
153.05437	1.5
153.09090	11.0
161.05965	20.7
163.03877	1.8
163.07524	3.3
165.05426	0.8
165.09108	1.0
166.06213	1.1
167.07019	3.4
169.12183	2.0
177.05458	22.8
177.07013	1.1
177.08945	0.7
181.08565	19.6
191.03386	0.8
191.05649	0.3
191.06967	21.0
193.08582	26.1
194.08931	0.6
209.08058	100.0
210.08321	1.3
225.14825	1.4
238.79489	0.6
243.15900	12.8
250.14305	1.2
303.08533	0.6
361.02328	0.5
369.13403	0.8
371.14099	0.7
383.15012	1.1
387.14142	2.5
391.17334	0.6
401.17285	0.9
419.18692	1.1
471.08801	0.6
616.24042	0.7
617.14600	1.1
617.23529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94683	2.1
53.03934	6.1
55.01865	7.3
55.05501	26.3
57.03427	15.0
57.07064	8.1
65.03933	2.1
67.05499	66.0
69.03416	6.4
69.07063	21.8
70.06585	11.9
71.04980	8.2
71.08631	16.5
71.62399	3.0
72.08154	3.8
74.09733	2.2
79.05481	50.7
80.39034	2.0
81.03407	45.3
81.07050	75.1
83.04982	19.8
83.06061	2.6
83.08608	27.3
84.08144	4.4
85.02898	23.5
85.06538	5.9
85.40446	2.0
86.09695	3.2
88.07587	3.9
91.05468	51.4
93.07030	57.6
95.04958	26.3
95.08600	33.9
97.02854	2.7
97.06506	11.5
97.10155	10.6
99.08080	15.2
104.49589	2.2
105.03410	13.6
105.07021	37.0
107.04964	9.3
107.08579	27.3
109.06532	9.2
109.10149	9.8
111.08095	10.7
113.06010	2.3
115.05428	2.4
117.07020	9.2
119.08559	28.7
121.06532	3.5
121.10130	22.8
123.08059	4.4
123.11766	3.0
125.09626	5.3
129.06984	8.8
131.08549	19.2
132.10179	5.6
132.81757	2.3
133.10123	25.0
135.11719	6.3
137.09724	3.4
142.07756	2.7
143.08554	5.1
145.10138	8.3
146.11726	4.2
147.11673	18.7
149.02338	13.3
149.05952	62.0
149.09564	5.3
149.13248	13.6
151.11165	18.1
157.10115	16.7
159.11737	7.6
161.13260	6.5
163.11194	9.5
165.12752	5.0
167.10686	2.1
173.11801	3.0
175.11151	15.6
175.14839	2.8
179.14334	4.7
189.11275	3.4
193.04910	14.3
193.12230	39.0
195.13831	6.1
211.13271	59.8
211.15213	3.0
227.12811	8.0
241.19675	3.4
256.26340	3.0
267.15854	19.1
269.17471	18.3
277.21692	14.6
277.24298	2.9
285.16974	47.2
297.07581	12.1
300.29010	25.4
337.27338	4.9
341.10156	58.5
351.25369	27.2
443.27670	5.2
445.30405	3.1
461.29059	14.8
463.30621	3.6
468.11127	2.5
479.30005	86.6
479.36841	5.0
496.33194	2.5
543.37085	7.0
552.32617	2.7
561.37817	17.4
614.36829	100.0
615.36981	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	614.461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78685	3.0
53.03921	4.0
55.01844	4.9
55.05495	21.1
57.03431	14.6
57.07044	7.9
67.05495	52.2
69.07050	26.1
69.26904	9.5
69.27317	24.0
70.07392	2.5
71.04962	3.0
79.05473	26.0
81.03401	69.6
81.07040	60.1
82.07365	2.9
83.04963	7.1
83.08601	24.8
85.06518	4.0
89.06010	27.7
91.05453	27.7
93.07018	27.8
95.04948	24.2
95.08586	49.2
97.06495	5.7
97.10151	9.2
99.08063	3.3
105.07008	22.7
106.63230	2.7
107.08557	19.7
108.08881	2.9
109.06495	5.6
109.10137	24.3
109.10773	3.7
111.08033	8.0
117.07005	4.0
119.08578	27.0
121.06519	3.9
121.10143	14.8
123.08002	3.5
123.11647	5.7
125.09615	4.5
129.06958	9.6
131.08565	13.6
133.06433	2.9
133.08601	16.7
133.10086	16.9
134.10416	4.2
135.07991	4.7
135.11649	8.8
137.09550	2.7
137.13164	3.7
141.33946	2.7
142.07767	4.0
145.10094	6.1
147.11627	13.8
149.09642	6.3
149.13223	5.6
157.10092	9.6
159.11671	6.3
161.13181	3.4
163.14774	2.8
175.11150	9.7
177.11153	6.4
193.12256	16.9
227.12717	4.6
246.59816	2.9
249.14828	3.3
253.19490	2.9
260.12015	2.7
263.23615	5.3
267.15869	100.0
275.20059	4.5
276.20306	4.8
278.50137	2.8
337.27328	76.7
338.27484	4.9
415.25287	16.0
455.35498	3.4
486.25247	2.9
529.38782	75.8
530.38794	4.5
542.15253	3.1
547.39948	35.1
596.43494	7.7
614.30804	17.6
614.39063	6.0
614.47675	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	613.4811
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02344	0.7
53.03923	1.9
55.01857	1.1
55.05502	13.9
57.03435	4.4
57.07064	3.3
60.79228	0.4
65.03922	1.2
67.05493	41.1
68.05809	0.5
69.03372	0.9
69.07059	15.2
71.04978	1.6
71.08624	0.8
71.22550	0.4
71.22887	1.0
79.05480	20.7
81.07043	46.6
83.04950	0.8
83.08607	7.9
85.06516	1.6
91.05465	17.7
93.07029	29.9
95.04937	2.6
95.08592	38.2
97.06519	2.7
97.10152	4.1
99.08099	1.1
105.07012	18.9
105.62344	0.4
107.08574	20.2
109.06479	0.6
109.10139	20.3
109.67696	0.5
111.08048	1.5
111.11688	1.4
113.09665	0.7
117.07001	8.2
119.08562	19.2
121.10132	15.8
123.08044	0.9
123.11685	7.8
125.09629	1.3
129.06984	4.0
131.08545	16.0
132.02080	0.5
133.10114	16.0
135.11665	12.2
136.78477	0.6
137.09586	0.9
137.13208	2.6
139.11162	0.7
143.08519	4.6
145.10094	13.1
147.11662	13.0
147.12767	0.8
149.09544	0.7
149.13245	7.4
151.14832	1.6
155.08537	1.7
157.10100	5.5
159.11665	10.3
161.13235	9.6
163.14809	4.6
165.16406	0.6
169.10149	1.9
171.11642	6.1
173.13242	9.8
175.14822	5.2
177.12779	0.9
177.16414	1.5
181.10057	0.6
183.11714	1.7
185.13211	4.6
187.14775	5.0
189.16393	1.8
191.18019	1.3
195.11668	0.7
197.13240	1.5
199.13275	0.7
199.14783	3.4
201.16318	3.5
203.17932	1.7
209.13148	0.6
211.14748	1.3
213.16422	1.5
215.17923	2.0
217.19489	1.1
219.17416	0.6
223.14717	0.6
225.16466	0.9
227.18028	1.1
229.19466	0.7
231.21117	1.3
233.18900	0.7
239.17960	0.6
241.19653	2.8
243.21118	2.0
245.19090	0.5
247.20673	0.9
253.98933	0.5
257.18826	0.6
259.20541	8.8
261.22119	10.0
261.24826	0.7
263.23709	1.1
271.20435	0.6
273.22198	1.3
279.23279	0.8
285.22241	0.7
287.23520	0.9
291.22906	0.6
299.23682	1.8
301.25299	0.6
313.25171	1.0
315.23254	1.0
315.26837	0.7
317.24854	1.3
321.24487	0.7
325.25284	0.9
327.26880	0.7
331.26520	0.7
333.24200	4.6
335.25754	16.3
337.27286	7.9
341.28439	0.7
347.25882	0.6
349.27515	0.8
355.29849	0.8
361.27756	0.6
375.28510	0.5
389.30850	0.7
403.32199	0.5
415.32397	0.6
443.35147	0.5
489.36069	1.4
503.36673	1.1
503.43280	0.7
505.38629	0.6
517.38708	0.7
521.43463	4.5
522.43787	0.7
529.38885	2.0
531.40802	0.6
539.44800	2.4
543.40363	1.9
595.47046	10.3
613.48157	100.0
614.48352	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	613.4812
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.40657	0.5
53.03927	1.3
55.01842	1.0
55.05499	13.6
57.03432	3.9
57.07060	2.2
65.03920	1.7
67.05492	39.3
69.06708	1.0
69.07054	12.4
71.05006	1.1
71.08617	1.3
71.12570	1.4
75.04435	0.6
78.26897	0.6
79.05478	20.7
81.07040	39.5
83.04977	0.7
83.08605	7.7
85.06521	1.7
91.05457	16.1
93.07022	27.1
95.04955	2.5
95.08589	30.5
97.06506	2.3
97.10149	4.4
99.08074	1.0
105.06290	0.7
105.07009	15.7
107.08572	17.2
108.79427	0.5
109.06519	0.8
109.10134	17.9
111.08064	1.6
111.11725	0.8
113.09638	0.6
116.76518	0.6
117.06988	6.1
119.08559	17.4
120.82232	0.7
121.10123	11.8
121.11004	0.7
123.08070	1.2
123.11676	6.6
125.18520	0.5
129.06989	3.4
131.08545	14.9
133.10104	13.9
135.11671	10.4
137.09648	0.7
137.13235	1.9
139.11183	1.4
142.07785	0.8
143.08528	4.1
145.10094	12.9
145.11130	1.0
147.11647	10.9
149.09605	0.7
149.13228	6.4
151.14859	0.6
155.08511	0.8
157.10081	5.1
159.11670	10.6
161.13234	7.0
163.14793	2.6
165.16512	0.7
169.10100	1.9
171.11630	5.3
173.13226	9.2
174.77953	0.6
175.14807	3.3
177.16373	1.6
179.14197	1.1
183.11668	1.9
185.13199	4.0
187.04761	0.5
187.14766	4.5
189.16397	2.3
191.17900	0.8
195.11732	1.1
197.13219	1.6
199.14745	3.4
201.16472	2.3
203.17918	2.1
211.14803	1.2
213.16380	1.7
215.17958	1.3
217.19539	1.2
219.17293	0.6
225.16284	1.1
227.17949	1.1
229.19380	1.0
231.21169	1.1
241.19629	1.4
243.21085	1.4
245.22600	0.8
247.20667	1.1
255.19305	0.8
259.20505	5.9
261.22107	7.2
273.22150	1.0
275.19955	1.3
275.23697	0.7
277.21664	1.2
279.23157	0.7
281.20959	0.7
285.22171	0.8
285.38077	0.6
299.23672	1.4
313.25284	0.8
315.26825	1.3
317.24713	0.9
333.24161	4.3
335.25751	12.2
337.27243	7.5
341.28162	0.9
489.35458	1.0
491.37329	0.9
503.37213	1.8
517.38800	1.3
521.43262	5.3
529.38666	1.7
539.44635	1.9
543.40546	1.8
557.41833	0.7
558.15259	0.6
595.47125	9.4
613.48138	100.0
614.48181	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	613.2641
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05499	1.7
57.03419	0.5
62.81039	0.3
65.03933	0.4
67.05492	4.8
67.65216	0.3
68.05836	0.8
69.07051	2.3
71.04987	0.6
72.94838	0.4
79.05490	4.4
81.03397	2.9
81.07048	4.9
82.07340	0.5
83.04970	1.6
83.08599	1.7
85.02904	1.0
85.06521	0.5
91.05457	5.2
92.05801	1.1
93.07024	4.3
95.04951	2.4
95.08588	3.6
97.02882	0.5
97.06512	1.0
105.07010	4.2
106.07333	0.9
107.04922	1.1
107.08570	2.5
108.08855	0.4
109.06516	1.9
109.10172	1.0
111.08081	0.6
117.07011	1.3
119.08545	2.9
121.06540	0.5
121.10133	1.4
122.10479	0.4
123.11680	0.5
129.07016	0.8
131.08572	1.7
132.08932	0.5
133.10115	2.3
135.11647	0.9
137.09575	0.4
138.62230	0.4
145.10109	1.6
147.11679	1.0
148.11996	0.6
149.09639	0.4
150.09995	0.4
151.11246	0.5
157.10118	0.8
159.11678	0.6
161.09669	0.4
162.13649	0.4
163.11203	0.7
173.13278	0.5
175.11221	0.5
175.14763	0.4
185.13200	0.4
186.98177	0.4
193.10675	0.5
193.12126	1.9
194.12578	0.5
211.13274	1.8
212.13602	0.7
259.20474	0.8
267.15945	0.6
276.20395	0.5
285.16812	0.7
293.21133	0.5
294.21445	0.5
333.24316	0.5
334.24774	0.8
340.14514	0.5
353.17578	0.8
365.14279	0.4
366.14764	0.7
367.15271	0.6
367.19174	1.1
368.20032	0.5
368.37091	0.5
380.16254	0.8
381.16989	2.3
382.17862	0.4
393.16885	0.7
394.18088	0.6
395.18802	3.2
396.19388	2.8
397.20093	1.4
407.18793	0.5
408.19907	0.6
409.16388	1.5
409.20453	1.3
410.21072	1.0
411.21997	2.2
421.15976	0.4
421.20886	0.5
422.21408	0.5
423.17621	3.1
424.18576	3.1
425.19666	0.7
437.15961	1.4
438.20718	2.2
439.21362	4.6
441.23083	0.4
448.18777	0.6
449.19720	1.1
451.16812	3.9
452.17548	2.1
453.19141	0.6
465.19305	1.4
466.19714	5.3
467.20703	3.4
468.21606	0.5
478.28906	1.3
479.20868	3.0
480.30319	1.0
481.22238	0.6
482.23163	1.6
483.24387	0.8
493.22162	2.1
495.19766	0.6
497.25375	1.3
510.22604	2.3
511.19736	0.8
512.23846	0.7
521.21674	0.8
524.20435	0.6
525.24988	10.2
526.24719	0.5
535.23413	1.3
536.24298	1.2
538.21643	2.2
539.22583	0.7
544.37012	0.8
553.24347	20.0
554.24707	1.3
563.22473	0.6
574.94507	0.4
578.37189	0.5
581.24451	0.8
595.25739	1.4
598.24097	0.5
613.26440	100.0
614.26764	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2268
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03927	0.7
55.01841	0.8
57.03408	0.3
65.03938	2.2
67.05478	0.7
69.03397	1.3
70.79034	0.3
71.04992	0.4
71.62865	0.5
73.02876	0.9
78.04684	2.2
79.05479	2.0
81.03377	0.8
81.07028	0.8
81.76220	0.3
82.04167	0.8
85.02891	1.9
86.09656	0.3
89.03901	0.5
91.05470	3.5
93.03383	0.6
93.07023	0.6
94.04144	0.5
95.04963	1.7
95.08587	0.4
97.02879	1.5
97.06504	0.8
97.23238	0.3
98.03175	0.3
103.05441	1.9
105.04420	0.3
105.07019	0.8
106.04155	1.4
107.04916	1.9
107.08559	0.8
109.02867	0.4
109.06491	0.4
109.10089	0.4
110.03641	1.0
111.04414	1.0
115.03893	0.9
115.05419	4.1
116.04254	0.4
117.03339	0.3
117.07007	7.6
119.04906	3.5
119.08615	0.5
121.02823	0.5
121.06422	0.5
121.10204	0.3
121.91973	0.3
122.03645	1.3
123.04407	6.7
124.05183	2.4
125.05939	1.3
127.03874	0.4
127.05397	1.3
130.68999	0.3
131.04886	0.7
132.05608	0.3
133.02852	0.3
133.04929	0.4
133.06406	0.4
134.03592	0.4
135.04417	1.4
137.05954	19.3
138.03091	0.7
139.58394	0.3
142.02583	0.9
143.04898	1.1
145.02824	0.9
145.06464	12.7
147.04379	4.9
147.08020	0.7
148.05136	0.3
149.05940	0.5
151.03893	2.7
151.04977	0.4
151.07527	0.8
152.04654	2.1
153.01772	2.1
153.05438	1.4
155.06010	3.8
161.05940	1.2
163.03899	5.3
163.07510	0.4
165.05415	0.6
167.07008	100.0
168.07365	0.9
171.02846	1.2
171.06526	1.4
173.05956	20.7
174.06346	0.3
175.07515	1.1
177.05522	0.7
178.07635	0.3
179.07024	2.7
181.04922	31.5
186.40152	0.3
191.06998	1.3
201.05478	0.8
203.06993	0.8
205.08578	5.3
209.08049	0.4
220.07350	0.3
231.06511	0.7
233.08025	4.9
235.09610	4.0
265.08609	0.4
273.07492	2.1
277.08594	0.3
280.07043	0.4
283.09686	0.3
293.07916	0.6
295.09836	0.5
297.11246	0.4
309.12317	0.8
310.08527	0.4
325.10587	0.3
327.12823	0.3
357.13266	3.4
370.81799	0.4
375.58850	0.3
385.08734	0.2
385.12769	13.3
387.14310	14.4
411.14362	0.5
417.15363	23.6
418.15775	0.4
583.21417	2.3
613.22662	46.8
614.23096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01856	0.2
55.05502	0.9
57.07072	0.2
61.87545	0.2
64.03227	0.2
65.03923	1.3
67.05497	1.6
69.03414	0.4
69.07045	1.0
69.45935	1.7
79.05478	1.6
81.03399	0.4
81.07049	3.7
81.45210	0.2
83.04985	0.3
83.08603	0.5
85.06526	0.3
91.05466	13.6
92.05774	0.2
93.07031	2.7
95.04977	0.4
95.08595	3.0
97.06518	0.5
97.10138	0.2
105.07013	4.4
107.04935	0.3
107.08579	3.1
109.06487	1.0
109.10137	1.6
110.19842	0.2
111.08058	0.3
115.05429	0.4
117.06982	1.0
117.73280	0.2
119.04925	26.5
119.08562	6.1
119.09434	0.3
120.05254	0.3
120.08808	0.2
121.06488	0.5
121.10112	1.6
123.08083	0.2
123.11720	0.9
125.05958	0.2
127.07531	1.0
128.06221	0.5
129.06966	1.1
130.07811	0.2
131.08546	3.7
133.10110	2.9
135.08057	0.3
135.11662	1.1
137.09586	0.4
137.13222	0.3
139.07520	0.2
141.06958	0.3
142.07779	1.1
143.08536	3.2
144.09297	0.6
145.10097	4.5
146.10515	0.3
147.04384	100.0
147.11664	2.5
148.04727	1.2
149.09561	0.3
149.13219	0.4
151.11205	0.2
155.08481	1.1
156.09338	1.1
157.10100	5.3
158.10773	0.3
159.11671	4.0
161.09668	0.4
161.13235	2.6
163.11203	0.5
163.14740	0.4
165.12738	0.3
167.08545	0.3
168.09349	0.4
169.10081	1.4
170.10869	0.5
171.11658	3.6
172.12271	0.3
173.09557	0.2
173.11737	0.2
173.13225	4.7
175.11147	0.3
175.14778	1.1
177.12679	0.7
181.10152	0.6
182.10876	0.7
183.11652	2.0
184.07268	0.2
184.12274	0.3
185.13243	5.0
187.14789	3.8
189.12666	0.3
189.16277	0.6
191.10660	0.2
191.14267	1.5
195.11658	0.8
196.12460	0.2
197.13216	2.0
199.11197	0.2
199.14799	2.7
201.12671	0.3
201.16411	1.0
203.14278	1.6
205.12206	0.3
207.11783	0.2
209.13214	1.0
211.14809	1.3
213.16364	3.1
213.27092	0.2
215.14287	0.5
215.17856	0.4
217.12276	0.3
217.15884	1.0
219.11734	0.2
221.13318	0.4
223.14769	0.7
225.16348	0.7
227.17911	1.0
229.15939	0.4
229.19437	0.2
231.17393	0.4
233.15219	0.3
235.14815	0.4
237.16286	0.9
239.17836	1.0
243.13806	0.4
245.15482	0.4
249.16302	0.3
251.17911	1.0
253.19429	0.4
257.15338	0.6
257.18839	0.2
259.16913	1.3
265.19440	0.8
267.20889	0.3
273.18658	0.2
277.19354	0.3
283.16879	0.5
285.18552	0.3
287.20010	0.3
291.20941	0.2
295.16901	0.4
297.18488	0.8
299.20023	0.4
303.21204	0.2
307.24136	0.4
309.18405	0.3
311.20001	0.5
329.22699	0.2
353.24603	0.5
373.28708	0.6
385.28906	1.0
401.28366	0.2
403.30048	2.0
419.29404	4.2
421.30969	1.0
431.29300	2.2
449.30457	3.4
567.34204	0.3
613.35168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19141	0.3
50.24910	0.3
50.37637	0.3
50.86959	0.3
51.02365	0.3
51.06663	0.3
53.00296	0.3
53.03927	0.5
55.01840	1.2
55.05487	0.7
57.03410	0.6
61.39711	0.3
65.03935	2.7
67.05493	1.9
69.03419	2.5
69.07034	0.9
69.39386	3.4
69.88838	0.3
71.04970	3.6
71.79070	0.3
72.05279	0.5
73.02874	0.6
75.04437	0.5
77.03896	0.4
78.04691	2.6
79.05470	2.4
81.03389	1.4
81.07040	8.3
82.04163	0.7
82.07355	1.1
83.04953	1.3
85.02412	0.5
85.02883	7.1
85.06504	0.6
86.03207	1.0
87.04422	0.4
91.05465	4.7
93.03377	0.7
93.07013	0.9
94.04208	0.4
95.04940	2.0
95.08588	1.9
96.08923	0.6
97.02863	3.1
97.06486	1.2
98.21471	0.8
99.04422	0.9
103.05470	2.0
105.03362	0.5
105.06994	1.0
106.04163	1.2
107.04940	2.3
107.08550	0.7
109.02818	0.6
109.06500	0.4
109.10126	0.8
110.03619	1.3
110.56676	0.4
111.04432	1.6
115.03911	2.1
115.05436	4.8
117.03402	0.4
117.06990	7.4
119.04920	4.4
119.08529	1.1
119.09352	0.3
121.02814	0.6
121.06469	1.2
121.10115	0.6
122.03619	0.6
123.04401	7.5
123.08038	0.3
124.05199	3.0
125.05959	1.3
127.03886	0.5
127.05389	1.5
129.05460	2.2
130.05783	0.4
131.04880	1.0
133.02805	0.5
133.04907	1.2
133.06493	0.5
134.03571	0.5
135.04364	0.9
136.07553	0.5
137.05949	6.2
137.09579	0.5
137.13199	1.5
138.03116	0.8
138.13588	0.7
142.02629	0.6
143.04845	0.9
145.02855	0.6
145.05217	0.7
145.06453	13.7
147.04388	7.8
147.06464	1.2
147.08040	0.8
148.04854	0.4
149.05922	0.8
151.03886	2.5
151.07513	0.7
152.04637	2.4
153.01764	0.4
153.05435	2.3
155.05998	4.0
155.07114	0.4
161.05952	1.0
161.11348	0.3
163.03891	1.9
165.05455	0.7
167.07002	100.0
168.07336	0.9
168.85094	0.3
171.06458	2.4
173.05946	22.7
175.07474	1.1
177.05450	2.4
179.07008	1.2
181.04916	33.0
181.08383	1.8
182.05222	0.4
183.02872	0.4
189.05415	0.8
191.06969	1.1
193.08580	0.5
201.05486	0.4
203.07024	1.3
204.07759	0.5
205.08551	6.3
206.08951	0.5
207.06535	0.5
207.10080	0.4
219.06381	0.4
219.10130	1.4
220.10493	0.7
224.79463	0.3
225.07553	0.6
231.06514	0.8
233.07997	4.7
235.09602	5.2
243.08656	0.8
247.07281	0.5
261.09744	0.9
267.06604	0.4
279.10648	0.5
280.07382	0.4
280.10767	0.5
293.08130	0.4
295.09830	0.5
303.04883	0.6
305.05264	0.5
325.10703	0.6
337.10748	0.4
341.10199	0.4
357.13217	3.3
360.83960	0.3
385.12701	17.1
385.96240	0.4
387.14331	5.3
397.29272	0.4
411.13962	0.4
416.17496	0.5
417.15335	12.5
529.50806	0.3
583.21552	2.8
613.22644	56.0
614.23114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.6
55.05507	12.9
57.03429	7.0
57.07053	1.1
57.59953	0.8
65.03926	1.9
67.05499	30.0
69.03410	2.9
69.06723	1.0
69.07063	13.1
71.04974	5.2
71.08620	1.8
71.63070	1.8
71.75455	1.0
72.70747	0.9
77.93291	1.2
79.05482	29.5
81.03403	23.4
81.07047	34.5
83.04958	9.9
83.08614	12.1
85.02886	7.4
85.06530	2.8
91.05460	30.7
92.05776	1.1
93.07032	28.5
95.04948	13.8
95.08597	16.8
97.02866	2.0
97.06530	6.3
97.10138	2.3
98.09652	1.4
99.08074	3.0
103.05430	1.4
105.07016	25.2
106.07281	1.1
107.04953	5.3
107.08586	14.2
108.08929	1.3
109.06541	6.3
109.10132	7.5
110.10580	1.1
111.04416	1.2
111.08062	6.0
113.05978	1.0
113.09640	1.6
117.06997	9.7
119.04955	1.2
119.07769	1.9
119.08561	20.2
120.93905	1.0
121.06477	2.8
121.10120	9.7
122.60921	1.0
123.08040	4.2
123.11661	2.1
125.09589	2.7
128.06242	1.5
129.06998	7.0
131.08542	12.9
133.10118	19.2
135.08014	1.7
135.11664	5.9
137.09555	2.1
143.08531	3.3
145.06416	1.2
145.10127	9.3
147.04398	3.1
147.08084	2.3
147.11658	12.4
149.09584	4.9
149.13235	6.3
151.11183	3.1
157.10100	8.6
158.23549	1.1
159.11681	6.8
161.09636	1.3
161.13210	3.1
163.11163	4.9
163.71237	1.0
165.12764	2.3
169.10095	1.7
171.11665	3.0
173.13220	3.1
175.11185	6.3
175.14813	1.2
177.12727	1.3
178.84186	1.1
185.13261	2.0
185.75940	0.9
193.12225	19.1
195.13713	2.2
199.14926	1.2
201.71791	1.0
211.13290	21.6
212.13617	1.3
217.15778	1.1
227.12888	1.9
241.19501	3.2
254.14706	1.7
257.18875	1.7
259.20535	6.0
260.13614	1.4
267.15918	6.2
269.17416	2.9
275.20087	6.5
277.21722	1.1
283.15308	6.1
285.16922	15.3
293.20920	2.2
315.23151	1.7
333.24124	8.1
335.25977	1.3
336.26321	1.0
349.23718	3.1
351.25162	3.1
353.17813	1.3
367.19247	1.6
381.17099	1.3
394.17987	1.5
395.18524	4.2
396.19388	3.4
397.20413	1.4
408.15576	1.1
409.20642	1.7
411.21741	1.8
423.17697	4.6
424.18661	2.4
437.19659	4.4
438.20453	2.3
439.21381	6.3
451.16953	5.3
452.18231	1.3
461.28656	1.6
465.18964	7.5
466.19855	3.0
467.20798	2.7
477.28564	17.6
479.20712	2.4
479.29846	9.2
493.22327	2.7
497.25620	1.3
510.22388	1.5
525.25427	9.8
525.35547	3.8
536.23743	2.2
538.21893	2.0
543.36700	6.3
553.24390	20.4
559.36316	2.1
581.24103	1.2
595.24615	1.4
612.25714	16.2
612.35364	1.5
613.26477	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93815	1.9
53.03934	5.4
55.01855	10.7
55.05506	34.2
57.03431	17.4
57.07069	4.3
57.11439	2.6
61.97234	2.2
65.03938	3.4
67.05499	83.8
69.03420	4.3
69.07062	40.5
70.84850	3.1
70.85186	5.6
71.05002	11.1
79.05482	75.4
81.03412	68.9
81.07049	100.0
83.04977	24.1
83.08605	33.7
85.02899	27.6
85.06536	3.6
88.07593	3.7
91.05462	88.3
93.07034	73.4
95.04966	42.5
95.08599	39.1
97.02877	2.7
97.06519	19.8
97.10157	8.5
99.08070	5.3
102.09220	2.1
105.04520	2.7
105.07020	64.0
107.04955	18.0
107.08578	46.7
109.06522	12.8
109.10147	19.6
111.04443	3.8
111.08073	17.2
113.06013	4.0
115.05428	3.8
117.07035	15.3
119.08562	41.7
121.06506	5.4
121.10132	24.4
123.08079	7.0
123.11690	7.0
125.09641	6.5
129.07007	19.4
131.08574	30.1
133.06477	6.4
133.10124	34.8
135.08061	4.3
135.11684	16.3
137.09578	6.1
142.07780	4.5
143.08530	6.3
145.10101	18.9
147.04398	3.1
147.08047	6.6
147.11671	29.9
149.09596	21.8
149.13240	11.3
155.08507	3.3
157.10101	21.9
159.11670	15.4
161.09682	2.9
163.11118	12.0
165.12723	7.1
171.11736	4.5
173.13243	7.0
175.11162	19.8
177.12735	4.6
179.14246	4.1
187.14835	2.5
191.07007	7.7
191.14223	3.2
193.04988	2.5
193.12216	65.0
195.13799	8.2
211.13278	84.5
227.12778	4.2
229.19402	2.9
239.17892	4.7
247.20482	2.8
255.15816	19.5
256.26352	3.4
257.19003	10.0
267.15912	31.2
269.17432	30.5
275.20044	35.6
285.16934	74.3
293.21082	4.1
331.22653	2.7
349.23737	32.4
367.24997	2.5
383.11328	4.4
447.27228	12.5
461.28992	18.4
463.82010	2.9
465.28461	21.3
479.30048	83.0
541.35193	7.7
559.36353	18.9
577.37048	8.4
608.54456	2.4
612.35297	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	612.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.7
51.02384	2.5
53.03928	6.4
55.01855	8.3
55.05251	2.6
55.05503	32.0
57.03433	23.5
57.07067	2.0
65.03944	4.3
67.05498	81.3
69.03413	6.3
69.07059	33.3
69.50047	9.1
69.50480	7.7
71.01350	2.1
71.04973	8.2
71.91970	1.8
79.05483	71.4
81.03407	75.0
81.07045	100.0
83.04971	25.5
83.08606	38.4
85.02892	26.6
85.06520	7.2
91.05461	78.3
93.07030	74.0
95.04958	41.4
95.08595	37.9
97.02855	3.9
97.06533	17.7
97.10155	8.3
98.20744	4.1
99.08052	2.7
105.04483	3.0
105.07016	54.7
107.04957	13.3
107.08574	37.4
109.06503	13.2
109.10154	14.0
111.04405	5.2
111.08047	15.0
113.05947	2.7
115.05436	4.2
117.07001	19.3
119.04937	2.2
119.08562	40.0
121.06494	6.8
121.10130	23.1
123.08044	6.9
123.11681	6.2
125.09605	5.0
129.06992	19.4
130.07780	2.4
131.08557	36.3
133.06464	4.2
133.10114	36.8
135.08046	4.7
135.11650	19.3
137.09636	4.0
141.06955	2.5
142.07782	5.6
143.08513	4.0
145.10107	15.7
147.04396	3.6
147.08064	4.8
147.11664	23.4
148.04723	3.0
149.09575	16.1
149.13242	13.1
157.10110	19.2
159.11650	16.4
161.13223	4.4
163.11168	8.9
165.12729	6.0
169.10173	4.8
171.11681	2.7
173.13243	5.1
175.11168	18.3
177.12744	5.9
181.12262	2.3
185.13191	2.6
189.11203	3.1
193.10509	2.8
193.12201	62.2
195.13782	8.5
199.14658	2.2
211.13260	78.6
215.17851	1.8
222.49210	1.9
227.12700	4.0
229.19408	3.6
239.17819	4.9
247.20586	2.6
255.15846	24.3
257.18927	7.5
267.15857	29.8
269.17465	38.6
275.20029	30.6
285.16919	75.3
293.20999	2.3
331.22598	2.3
349.23682	22.7
367.24750	7.1
447.21802	2.1
447.27209	11.8
461.28842	26.2
465.28317	28.0
479.29971	78.1
480.30338	3.5
516.62579	2.1
541.35065	7.3
559.36182	13.2
565.91382	2.1
575.73627	2.3
577.37311	6.2
612.33759	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	612.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02262	0.6
53.03952	1.9
55.01858	2.8
55.05505	3.6
57.03431	9.1
57.07071	3.0
59.04997	1.1
61.02927	3.6
61.17042	0.5
65.03926	1.4
67.05496	4.8
69.03421	16.5
69.07059	3.6
69.47701	4.9
71.01347	2.1
71.04984	50.4
73.02909	19.1
75.04476	6.6
79.05480	8.4
81.03404	3.5
81.07046	100.0
82.07387	0.8
83.04473	0.8
83.04972	14.9
85.02893	95.5
87.04469	3.8
87.56103	0.5
89.82127	0.5
91.03939	0.6
91.05460	3.6
92.97866	0.6
93.07024	2.4
95.04971	2.4
95.08593	20.9
97.02272	1.1
97.02880	20.8
97.06515	0.9
99.04452	3.3
101.06011	1.1
103.03936	3.3
103.05434	0.9
105.07001	1.5
107.04929	1.3
107.08593	1.0
109.02850	2.0
109.10129	2.4
111.03692	1.0
111.04430	12.9
113.02376	0.7
113.05984	2.5
115.03912	19.2
115.05425	1.1
117.05431	0.7
117.06998	0.9
119.04952	4.1
119.08555	1.2
120.08091	0.9
121.02828	1.0
121.06434	1.1
121.10143	0.8
123.04421	3.0
123.07959	0.6
127.03905	6.4
129.05461	44.2
131.04918	1.0
133.03987	0.7
133.04951	9.0
133.06439	0.7
133.10098	0.8
135.04370	0.9
137.02313	0.8
137.05963	3.9
137.13231	29.5
139.03883	4.0
145.02908	0.8
145.04922	5.1
145.06413	2.1
146.08109	0.9
147.04422	13.2
147.06491	32.1
147.11638	1.0
148.04698	4.2
149.04399	1.9
149.05922	0.7
151.03806	1.8
151.07445	0.7
153.01686	0.8
153.05453	1.1
157.04842	0.7
159.06454	0.6
161.05887	1.2
161.09550	0.8
163.03819	1.8
163.05905	2.5
163.07169	0.7
164.09187	4.5
165.05421	1.2
165.07510	2.6
167.07027	15.9
169.04996	3.9
171.06450	2.3
173.05991	3.1
177.05353	2.5
179.06934	1.0
181.04915	5.4
183.06461	0.6
187.05995	1.4
191.06905	1.2
199.05949	1.4
205.08510	1.6
207.06354	1.3
217.06900	1.0
225.07561	10.9
231.08339	1.6
233.07851	0.8
235.09587	0.9
237.07526	1.2
241.06938	1.1
243.08624	12.5
254.96844	0.6
255.08411	2.4
259.08041	2.7
261.09695	6.2
273.09628	5.0
279.10687	20.9
295.10025	1.5
303.04880	3.2
304.05316	3.1
309.11737	8.8
358.16696	0.7
373.15939	0.8
385.12201	1.7
387.13760	2.2
417.15524	2.7
587.68707	0.6
613.22766	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	611.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01861	1.5
55.05503	17.4
57.03437	4.9
57.07074	3.8
58.27226	0.6
58.36806	0.7
58.99400	0.6
65.03925	2.1
67.05492	42.5
69.07058	16.3
69.42935	3.6
69.43354	2.3
71.04985	1.7
71.08604	0.7
71.79419	0.6
79.05482	31.9
81.07045	42.2
83.04971	1.9
83.08607	7.4
85.06549	2.1
91.05466	31.9
93.07033	33.8
95.04959	3.6
95.08595	33.0
95.09229	1.0
97.06514	2.1
97.10146	3.3
99.08076	1.7
103.05462	1.0
105.07014	31.0
107.08582	20.7
109.06529	1.2
109.10136	13.3
111.08086	1.1
111.11759	0.8
115.05471	1.3
117.07005	12.4
119.08562	28.8
121.10123	16.4
123.08005	0.9
123.11685	5.2
125.09624	1.4
128.06253	1.4
129.06990	9.2
130.07796	0.7
131.08549	20.2
133.10109	20.7
135.11670	11.5
137.09615	0.9
137.13242	1.7
139.11099	1.0
141.06979	3.0
142.07768	1.6
143.08536	12.3
144.09267	0.7
145.10103	19.7
146.10583	0.8
147.11661	16.8
149.09592	0.8
149.13245	5.5
151.11278	0.7
155.08530	5.2
156.09377	1.0
157.10100	11.0
159.11670	15.9
161.09653	0.9
161.13217	11.7
163.11211	1.5
163.14807	2.3
167.08563	1.9
169.10085	6.8
170.10857	0.7
171.11652	12.2
173.13219	10.7
175.14821	6.2
177.16374	1.2
181.10162	1.8
183.11621	5.4
185.13206	8.9
187.14763	5.0
189.16357	2.1
193.10109	0.9
195.11702	2.6
197.13240	6.1
199.14819	7.0
201.16377	2.6
207.11653	0.9
209.13274	2.1
211.14774	3.2
213.16434	3.0
215.17906	3.0
223.14882	1.4
225.16441	1.9
227.18033	1.2
229.19507	2.0
229.28517	0.7
231.21089	1.9
237.16382	0.8
239.18011	2.4
241.19592	8.8
243.17635	0.9
243.21001	1.3
249.16443	0.8
253.19670	0.9
257.19000	3.6
259.20551	18.5
260.20874	0.8
261.22235	2.6
270.73828	0.8
275.20050	1.2
277.21664	1.0
283.20688	0.9
285.22012	0.8
297.22015	0.8
299.23526	1.0
315.23178	1.3
317.25113	0.9
325.25302	0.8
327.23404	0.7
329.24860	0.8
331.22620	1.2
333.24176	12.3
335.25839	16.4
336.26483	0.8
337.27405	1.5
339.26935	1.3
353.28430	1.8
378.98044	0.8
397.31012	1.0
449.33969	0.7
471.89700	0.7
475.33691	0.7
487.34286	1.3
489.35950	1.0
501.35477	1.0
519.42084	6.0
537.42908	3.3
541.38733	2.1
593.45575	8.7
611.46600	100.0
612.46863	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	612.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87453	0.7
53.03939	1.1
55.01859	1.9
55.05501	2.3
57.03431	9.7
57.07058	2.8
59.04998	2.1
60.84546	0.6
61.02921	1.2
62.68596	0.6
65.03925	1.4
67.05494	6.3
69.03420	21.9
69.07049	3.9
69.75475	3.6
71.01348	1.3
71.04985	40.1
73.02902	4.2
73.12172	0.7
75.04460	4.4
78.04693	0.7
79.05483	8.5
81.03404	3.5
81.07047	100.0
83.04971	12.2
85.02894	78.8
85.97848	0.7
87.04460	9.6
91.05483	1.5
93.07041	2.0
94.74721	0.7
95.04955	2.3
95.08598	20.5
97.02881	31.7
97.06522	1.8
99.04443	6.5
103.03926	1.4
105.06976	1.0
107.04960	2.0
107.08578	0.9
109.02881	1.6
109.06490	1.2
109.10132	2.3
111.04429	9.8
113.02406	0.9
113.06018	1.4
115.03915	34.6
117.05480	2.2
117.07002	2.8
119.08572	1.2
121.06496	0.8
123.04470	3.5
123.91977	0.7
124.05190	1.0
125.02343	0.7
125.05968	1.5
127.03882	6.0
129.05464	32.3
131.04842	0.6
131.08607	0.8
133.04945	16.6
135.04407	1.5
135.11711	0.7
137.05995	1.5
137.13242	28.4
139.03902	2.8
139.04887	0.6
145.04939	5.0
145.06473	3.7
146.08113	2.1
147.04395	2.2
147.06500	23.8
149.04478	1.7
150.07625	1.7
151.03889	1.3
153.05473	2.4
155.06027	0.8
157.05014	1.3
161.06049	0.7
163.03909	0.9
163.05940	1.1
164.09142	4.8
165.05499	1.2
167.07018	20.2
169.05003	1.1
171.06522	5.1
173.05937	5.5
177.05452	1.7
179.07024	1.1
179.14264	0.7
181.04939	9.1
181.08672	1.2
187.06001	0.8
189.07579	2.3
191.07005	0.8
195.06551	0.8
205.08595	1.9
207.06520	2.2
213.07649	0.9
217.07074	0.7
219.10262	2.1
225.07547	7.6
235.09631	1.1
237.07576	0.9
243.08647	11.6
249.11311	0.9
255.08734	1.9
261.09631	17.0
273.09634	4.5
279.10675	26.9
295.10278	1.9
309.11801	7.6
357.13135	0.8
365.66586	0.7
385.12698	4.4
387.14523	0.9
415.17557	0.9
417.15311	3.5
613.22748	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	611.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48786	1.0
53.03942	2.3
55.01850	1.4
55.05501	17.0
57.03426	6.6
57.07067	3.2
65.03934	2.3
65.82368	0.9
67.05497	42.6
69.07059	17.1
69.28743	0.8
70.29913	1.1
71.04985	2.3
79.05479	32.7
81.07047	47.7
83.08606	7.3
91.05457	28.2
93.07031	36.9
95.04950	5.0
95.08591	39.7
97.06499	2.4
97.10132	4.7
99.08083	1.0
101.32744	1.1
102.63523	0.9
105.07017	29.1
107.08582	22.1
109.06498	2.3
109.10146	13.8
111.08016	2.2
111.11696	1.1
115.05428	1.7
117.06986	12.4
119.08567	27.7
121.10114	15.1
123.08000	1.2
123.11681	5.3
125.09614	1.0
128.06200	1.2
129.06990	9.9
131.08551	22.4
133.10110	23.0
135.08049	1.6
135.11656	13.1
137.09581	1.3
137.13237	2.0
141.06993	2.5
142.07780	1.3
143.08542	12.4
144.09349	1.7
145.10100	19.4
147.11661	15.4
149.09596	1.3
149.13223	7.7
153.06993	1.1
155.08543	4.2
156.09258	1.4
157.10098	10.6
159.11662	17.1
161.13222	10.3
163.11108	1.3
163.14801	2.9
167.08582	2.3
169.10051	5.8
171.11647	11.2
173.13264	10.7
175.14841	3.8
181.10054	2.1
183.11661	5.2
185.13226	8.4
187.11166	0.9
187.14731	5.4
189.16339	1.8
195.11684	3.7
197.13232	5.4
199.14833	6.5
201.16368	3.8
209.13179	1.5
211.14819	3.3
213.16391	3.2
215.17970	1.8
223.14783	1.8
225.16371	3.1
227.18022	1.9
229.19507	1.7
239.18011	3.3
239.98563	1.2
241.19539	8.5
243.21170	1.1
249.66791	1.0
253.19676	1.7
257.18982	2.9
259.20569	15.3
261.22171	3.4
273.22122	1.0
275.20053	1.9
315.23083	2.1
325.25275	1.5
333.24158	11.5
335.25775	21.0
337.27393	1.4
339.27002	1.6
349.23560	1.3
351.26706	1.3
353.28342	1.2
355.26315	1.1
435.32275	1.2
446.45398	1.0
515.37073	1.2
519.41809	4.9
521.84906	1.0
537.43127	4.1
541.38373	1.5
546.38379	1.1
565.90973	1.5
573.77936	1.0
593.45361	7.5
611.46600	100.0
612.47400	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	611.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01856	1.2
55.05503	12.5
57.03425	3.5
57.07066	2.5
58.32434	0.4
59.04998	0.4
65.03931	0.9
65.21381	0.4
67.05492	22.3
69.07055	10.6
71.04976	0.9
71.08614	1.7
71.59216	0.7
79.05483	13.9
81.07043	24.4
83.04982	1.0
83.08601	6.6
85.06541	1.4
85.10155	0.6
91.05457	13.8
93.07027	16.5
95.04956	2.1
95.08590	17.8
97.06503	2.2
97.10149	3.8
99.08062	0.8
103.05431	0.6
105.04487	0.5
105.07013	14.5
107.04965	0.4
107.08575	10.6
109.06493	0.8
109.10139	8.3
111.08073	1.4
111.11729	0.7
115.05412	0.8
117.06996	9.7
119.08560	13.8
121.09304	0.7
121.10131	7.6
121.10999	0.4
123.08047	1.1
123.11682	2.1
125.09602	1.2
128.06232	1.7
129.06976	7.2
130.07722	0.6
131.04858	0.4
131.08545	13.9
133.10110	8.7
135.11655	4.9
137.13255	0.9
141.06969	2.7
141.09117	0.5
142.07803	1.9
143.08551	10.9
144.09270	0.6
145.10107	13.7
145.11252	0.7
147.08060	0.4
147.11653	4.9
149.09569	0.9
149.13260	2.4
151.11154	0.5
155.08540	6.8
155.09689	0.6
156.09326	0.9
157.10089	10.9
159.11671	9.8
161.13243	3.4
163.14838	0.9
165.16319	0.6
167.08549	2.5
168.09383	0.5
169.10089	7.6
170.10930	0.4
171.11655	9.2
173.13255	6.3
175.14876	2.1
177.16376	1.1
179.14308	0.5
181.10095	3.4
182.10910	0.5
183.11655	7.3
185.13239	6.3
187.14804	4.2
189.16377	1.9
191.17984	0.9
193.10150	0.6
195.11682	2.9
197.13228	5.1
199.13217	1.0
199.14819	4.3
201.16371	2.8
203.17856	1.1
205.19524	0.5
207.11732	1.1
209.13202	3.3
211.14795	4.2
213.14725	0.6
213.16400	3.2
215.14304	0.6
215.17955	1.7
217.19473	0.9
221.13313	1.0
223.14755	2.6
225.16298	2.6
227.18126	2.3
229.15929	0.5
229.19542	1.7
235.14867	1.2
237.16360	1.7
239.17949	1.7
241.19623	2.2
243.21046	1.2
247.20746	0.7
249.16454	0.5
251.18010	1.3
253.19621	0.9
255.21085	1.3
257.18973	1.0
257.22662	0.6
259.20596	0.6
265.19366	0.9
267.21121	1.1
269.22604	0.7
271.24146	0.7
275.20206	1.0
279.20956	0.9
281.19037	0.6
281.22464	0.8
283.20847	0.8
285.22055	0.5
295.20493	0.6
299.20029	0.5
299.23642	0.5
311.23553	0.7
323.23669	1.0
325.25226	0.9
327.23099	0.7
339.22897	0.4
339.26804	1.1
341.24524	0.9
351.26852	0.7
353.28342	1.0
367.30304	0.7
381.31610	1.1
393.31635	0.8
395.33362	0.7
405.31781	0.4
407.28363	0.6
423.32791	0.7
449.34073	0.9
501.40991	1.1
519.41974	6.4
523.38159	0.7
527.37421	0.7
537.43066	4.4
541.38605	1.2
543.40601	0.6
555.43378	0.5
557.43536	0.6
565.91382	1.0
593.45508	11.0
611.46594	100.0
612.47083	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	611.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03935	1.9
55.01849	1.5
55.05500	15.5
56.05831	0.5
57.03425	5.1
57.07065	3.6
59.05009	0.7
65.03922	2.1
66.09246	0.4
67.05493	37.2
67.14329	0.6
69.03400	0.5
69.07058	14.4
69.24523	0.4
71.04971	1.9
71.08619	1.0
71.22809	1.1
79.05479	27.3
81.03419	1.2
81.07043	39.6
82.07375	0.9
83.04974	1.2
83.08606	8.0
85.06532	1.9
91.05462	26.3
92.05801	0.8
93.07027	33.6
94.07344	0.8
95.04934	3.3
95.08589	31.3
96.08924	1.2
97.06507	2.1
97.10159	3.7
99.08066	0.8
103.05447	0.8
105.07011	28.6
106.07365	0.6
107.05011	0.6
107.08578	20.0
108.08911	0.6
109.06496	1.4
109.10139	11.6
111.08074	2.1
113.09597	0.7
115.05425	1.0
116.06227	0.8
117.06994	12.2
119.08559	22.4
120.08876	0.7
121.10118	14.2
122.10443	0.5
123.08025	1.3
123.11667	3.8
125.09595	1.1
128.06206	1.9
129.05513	0.8
129.06989	7.0
130.07800	1.4
131.08542	18.1
132.08920	0.7
133.10109	18.2
135.08028	0.6
135.11659	10.2
137.09636	0.8
137.13203	1.2
139.11108	0.7
141.06984	2.8
142.07747	1.4
143.08528	10.1
144.09171	0.8
145.10097	18.6
146.10497	0.8
147.08018	0.5
147.11659	14.8
149.09615	0.7
149.13237	5.9
151.14807	0.5
155.08527	5.7
156.09248	0.9
157.10101	10.7
158.10628	0.7
159.11665	15.2
160.11995	0.5
161.09621	0.5
161.13228	10.0
161.14568	0.5
163.11179	1.1
163.14818	2.1
167.08502	1.5
169.10098	5.4
170.10608	0.7
171.11661	11.0
172.12334	0.6
173.13235	10.1
175.11145	0.7
175.14812	5.4
177.12758	0.6
177.16354	1.2
181.10104	2.0
182.10756	0.6
183.11691	6.1
184.12009	0.7
185.13229	8.5
187.14812	4.3
189.12741	0.7
189.16406	1.5
193.10045	0.8
195.11658	2.5
197.13252	4.3
198.13681	0.6
199.13162	0.8
199.14781	5.4
201.16377	2.9
203.17940	1.0
207.11682	1.3
209.13289	2.0
211.14841	2.5
213.16374	3.7
215.17975	1.7
217.19536	0.8
221.13240	0.8
223.14827	1.5
225.16400	1.3
227.17984	2.0
229.19569	1.2
231.17477	0.7
231.21132	1.7
235.14827	1.0
237.16333	1.3
239.18005	1.9
241.19534	8.5
243.21127	1.4
245.19005	1.0
251.17862	0.5
253.19672	0.9
257.18976	2.9
259.20529	15.8
261.22055	3.1
265.19568	0.8
271.20575	0.7
275.20062	0.6
276.56119	0.5
277.21744	0.5
283.20599	0.6
285.22260	0.8
287.19867	0.7
287.23792	0.5
299.23740	0.9
301.25208	0.5
313.25305	0.6
315.23267	1.9
322.55695	0.5
325.25134	0.7
331.22598	0.8
333.24197	8.7
334.24414	0.5
335.25754	16.5
337.27414	2.0
339.26840	1.4
349.23813	0.5
351.26459	0.7
353.28333	1.3
365.28421	0.6
377.97424	0.5
393.31244	0.5
407.28806	0.6
409.31119	0.8
449.34088	0.9
463.35327	0.7
475.34409	0.5
501.34863	0.9
501.41196	1.1
503.37137	0.9
519.41895	5.4
523.37634	1.0
527.37238	1.4
529.38690	0.6
537.42944	2.6
541.38739	0.9
555.39520	0.7
565.90979	0.8
567.44470	0.6
593.45355	8.6
611.46478	100.0
612.46918	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	611.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74852	0.3
65.23394	0.4
69.03423	0.8
69.07041	0.3
70.06546	0.4
71.04980	0.9
71.61839	0.7
74.02450	0.7
79.05453	0.3
82.61217	0.4
85.02899	1.8
87.30687	0.3
91.05418	0.5
96.72768	0.3
97.02852	0.4
104.11201	0.3
109.10162	0.3
115.05434	0.7
117.05708	0.7
117.07008	0.9
118.06526	14.0
119.04913	0.5
121.02863	1.3
123.04414	1.4
127.03878	0.7
130.06516	1.6
132.08081	4.4
135.04378	0.3
137.06007	0.4
139.03871	0.4
142.06482	1.2
143.07233	1.9
144.04378	0.7
144.08064	11.2
146.05988	56.0
147.04390	1.1
147.06300	1.1
149.06094	0.4
151.03894	0.4
159.09158	5.9
160.07603	1.1
163.03938	0.8
167.07013	0.7
170.05983	4.1
175.08629	0.4
177.05383	0.6
188.07039	100.0
189.07382	1.5
204.10175	0.4
205.09694	59.0
206.10048	0.7
227.09111	0.6
287.05438	4.2
303.04782	1.9
328.25589	0.3
449.10233	0.5
465.09384	0.5
530.01855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2848
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
55.05494	0.5
57.54780	0.3
57.89454	0.3
67.05490	1.6
69.07061	0.4
71.63062	0.5
79.05472	1.0
81.07038	1.7
83.05003	0.3
83.08559	0.3
91.05398	0.7
91.05865	0.4
93.07025	1.5
95.04964	0.5
95.08595	1.0
98.66148	0.3
105.07011	0.9
107.08570	1.2
109.10139	0.5
117.07061	0.4
119.08580	0.8
121.10153	0.7
131.08566	0.8
133.10129	0.7
135.11716	0.3
136.87187	0.3
143.08562	0.4
145.10130	0.5
157.10167	0.3
159.07921	0.3
159.11635	0.4
169.10057	0.3
183.02139	0.3
218.85611	0.3
273.11218	0.4
286.13504	0.4
300.24814	0.3
351.39105	0.3
377.17560	0.7
379.18927	0.3
385.08954	0.3
389.17413	0.6
391.19153	0.8
392.20023	0.7
393.20569	0.7
403.19119	0.6
404.15900	0.4
404.20465	0.4
405.16104	1.8
405.20862	1.1
406.17282	0.6
407.22562	3.6
409.20236	0.4
417.20987	0.5
418.17361	0.9
418.22250	0.4
419.17947	2.7
419.23526	0.5
419.38504	0.3
420.19113	0.9
420.23770	0.6
421.20206	1.8
422.20822	0.9
423.22018	1.4
431.18289	0.5
432.19321	0.6
433.20029	8.1
434.21225	2.9
435.17700	2.6
435.21933	3.5
436.18549	0.8
437.23471	2.8
437.52960	0.3
438.23865	0.7
446.20966	1.5
447.21890	2.2
449.19247	4.3
450.20148	2.5
451.21097	3.2
461.23456	0.5
462.20038	0.4
463.20905	2.9
464.21936	7.2
465.22772	6.0
466.23599	0.4
477.22992	2.5
478.23428	0.9
479.20468	0.3
479.24512	0.4
480.21014	0.4
481.22186	0.4
491.24179	1.3
492.24915	0.4
496.24554	0.4
509.21408	1.9
519.24091	0.4
521.25421	5.7
522.25568	0.4
523.23700	0.6
533.25256	0.4
536.23950	0.4
551.26416	26.8
552.26727	2.0
579.26007	1.0
581.27478	1.2
582.24969	0.5
583.28760	0.4
593.27344	0.7
611.28479	100.0
612.28790	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	611.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.05498	0.4
57.03413	0.5
57.07056	0.2
57.99130	0.2
63.02346	0.4
67.01855	2.7
67.05488	0.6
68.99761	1.0
69.03425	1.0
69.07049	0.6
69.55228	1.4
71.04984	0.2
78.04691	0.2
79.05475	0.6
81.03404	2.8
81.07043	1.1
83.08578	0.2
85.02885	1.3
85.06528	0.4
89.03902	5.9
91.05449	1.1
93.07025	0.7
94.06544	0.3
95.04945	0.7
95.08587	0.8
96.08120	0.4
97.02859	0.6
99.04427	0.3
100.11233	0.3
103.05466	0.6
105.07000	0.5
106.04164	0.4
107.04926	0.6
107.08598	0.5
108.04459	0.4
108.08092	0.7
109.02855	0.8
109.06528	0.3
109.10125	0.6
110.09602	0.4
111.00790	0.2
111.04424	0.5
117.03358	18.4
119.04910	0.8
119.08553	0.5
119.79895	0.2
120.04430	0.2
120.08079	0.5
121.02853	0.3
121.06483	1.8
121.10110	0.7
121.63156	0.2
123.04391	0.6
123.08025	0.3
123.11630	0.3
124.05201	0.2
125.02332	0.3
125.09621	0.3
127.03886	0.5
129.01840	0.4
131.04971	0.3
133.10065	0.5
134.03641	1.3
134.06003	0.2
135.04393	1.3
136.07526	0.4
137.05966	0.4
137.09628	0.3
137.51347	0.2
138.09131	0.9
139.03947	0.2
139.07524	0.3
145.02821	45.9
145.10156	0.5
146.03185	0.3
146.04356	0.2
146.05966	0.6
147.04388	3.1
149.05956	7.0
149.09508	0.3
149.13194	0.2
151.03899	0.5
153.01801	25.4
157.10120	0.3
158.05983	0.4
161.13301	0.2
162.05502	0.4
163.03865	0.8
165.01764	0.3
166.08578	1.0
167.07008	0.7
171.02859	18.6
171.11636	0.2
172.03882	0.5
175.14728	0.2
177.05438	100.0
178.05794	0.6
179.03357	0.9
181.04932	0.5
183.02902	0.2
184.13361	0.2
186.05467	2.0
189.12711	0.2
190.04854	0.9
191.03261	0.3
195.02872	5.1
195.06477	0.6
197.13039	0.2
205.01241	1.1
219.02798	0.3
219.06352	0.3
223.08546	0.3
224.09560	0.2
225.10114	0.4
227.11797	0.6
231.06400	0.3
237.10243	0.2
243.02849	0.2
253.09717	0.5
261.03790	0.8
267.11115	0.2
269.12811	0.9
271.06027	0.3
271.10684	0.5
271.52005	0.2
273.07523	22.3
274.07919	0.3
285.07458	0.2
285.12302	0.3
287.05508	0.3
297.07391	0.2
297.12357	0.3
299.14029	0.2
314.13016	0.2
315.08618	1.7
321.09659	2.8
323.10144	0.3
325.06906	0.3
325.11755	0.8
339.10825	2.2
342.12247	0.4
343.13013	0.3
356.13834	0.4
363.08575	0.2
370.15497	0.3
381.09576	0.5
382.11447	0.2
385.30957	0.4
390.17850	0.3
398.15143	1.1
399.15643	1.0
404.15891	0.3
413.30038	0.3
416.15775	0.7
431.31363	0.3
440.15765	0.3
446.16910	0.8
458.17090	2.9
458.23102	0.4
460.18735	0.3
567.25421	0.3
569.23395	0.7
583.24982	0.4
593.23798	0.9
610.48468	0.4
611.24664	3.7
611.48376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1598
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03906	0.3
55.01831	0.2
55.05470	0.3
57.03433	1.8
59.04972	0.2
61.02914	0.9
67.05463	0.2
68.99755	0.4
69.03422	1.9
70.06551	0.2
71.01315	0.2
71.04984	10.1
71.05350	0.4
71.61340	0.1
71.61718	0.3
73.02866	0.7
75.04449	0.4
75.28493	0.1
79.05457	0.2
81.03398	1.1
83.04917	0.6
85.02893	17.2
87.04415	0.5
91.03921	0.3
91.05419	0.2
93.07002	0.3
95.04897	0.2
97.02872	2.1
99.04404	0.4
103.03877	0.2
105.07012	0.2
107.04909	0.3
109.02873	1.2
109.10092	0.5
111.00743	0.6
111.04391	0.4
121.02840	1.2
121.10103	0.2
123.04367	0.4
127.03896	1.6
129.05461	3.6
135.80190	0.2
136.22311	0.2
137.02325	2.4
137.05919	0.2
137.09566	1.0
145.04912	1.6
147.04330	0.5
147.06471	1.1
149.02263	0.3
153.00681	0.2
153.01802	2.8
159.04231	0.2
161.05951	0.4
163.03842	0.7
165.01797	1.9
165.09070	0.6
166.02524	0.2
173.05949	0.2
177.05423	0.4
181.04987	0.2
182.45927	0.2
183.02843	0.8
183.04242	0.2
189.26167	0.2
191.07155	0.2
195.02881	0.2
201.05391	1.0
205.04893	0.2
213.05515	0.2
219.06508	0.3
229.04959	2.7
229.07179	0.1
231.06395	0.2
239.71776	0.2
241.04921	0.2
247.06000	0.5
248.55899	0.2
257.04370	1.8
258.05066	0.3
274.04724	0.5
285.04016	0.8
287.05460	25.0
288.05820	0.6
302.04236	0.2
303.04947	100.0
304.05344	2.1
315.05038	0.2
317.06512	0.4
345.06055	0.4
395.27817	0.2
449.10675	4.2
465.10352	1.1
543.01337	0.2
611.23883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79402	0.1
53.03944	0.3
55.01859	0.2
55.05499	0.2
57.03419	0.4
63.02343	0.4
65.03922	0.1
67.01847	1.4
67.05490	0.3
68.99770	0.6
69.03412	1.1
69.07050	0.3
69.46565	0.7
71.04975	0.2
73.02911	0.2
77.03931	0.1
78.04707	0.3
79.05476	0.3
81.03400	3.9
81.07040	0.6
82.07362	0.1
83.01299	0.2
83.04965	0.1
85.02885	1.7
85.06525	0.1
89.03894	4.7
91.05431	0.8
91.63972	0.1
93.07025	0.5
95.04951	0.5
95.08587	0.4
97.02869	0.6
97.10172	0.2
98.21460	0.2
99.04437	0.4
103.05458	0.3
105.03376	0.1
105.06987	0.5
106.04134	0.3
107.04942	0.4
107.08571	0.4
109.02853	1.5
109.10128	0.4
111.00819	0.1
111.04399	0.2
111.08079	0.1
117.03354	16.0
118.03694	0.1
119.04896	0.6
119.08553	0.3
121.02824	0.3
121.06503	0.5
121.10123	0.3
123.04387	0.3
123.08075	0.1
124.05167	0.2
125.02325	0.2
125.09618	0.2
127.03877	0.5
129.01791	0.3
129.04459	0.1
131.04877	0.1
131.08571	0.3
133.10103	0.3
134.03601	1.3
135.04398	1.4
135.08041	0.1
135.11597	0.1
137.05975	0.2
137.09512	0.1
139.03857	0.1
143.08539	0.1
145.02812	44.8
145.10051	0.2
146.03154	0.6
147.04367	2.2
147.11676	0.1
149.02316	0.1
149.05946	6.2
151.03877	0.3
151.07475	0.1
153.01796	12.1
154.02176	0.2
157.10037	0.1
158.05992	0.5
161.06081	0.1
161.09619	0.2
161.13177	0.1
162.03105	0.3
163.03871	0.6
163.11206	0.1
165.01846	0.3
167.03250	0.1
167.07039	0.3
171.02850	10.1
172.03242	0.1
175.65204	0.1
177.05429	100.0
178.05742	1.2
179.03360	0.3
179.10663	0.1
181.01288	0.1
181.05003	0.2
183.02882	0.3
184.07364	0.1
185.09410	0.1
186.05470	1.8
187.03793	0.1
187.05786	0.1
189.05421	0.1
191.03336	0.2
195.02859	5.3
195.06482	1.2
197.00729	0.1
205.01326	1.0
215.03357	0.1
219.02869	0.3
219.06522	0.2
231.06392	0.2
237.18480	0.1
243.02774	0.3
243.06526	0.1
248.51003	0.1
261.03940	0.6
271.05801	0.2
273.07520	9.5
274.07858	0.2
279.04895	0.1
279.08475	0.2
285.07452	0.3
287.05475	0.3
297.07379	0.1
315.08527	1.7
321.09622	5.3
322.09726	0.1
325.06979	0.3
329.06488	0.2
339.10745	3.7
363.08609	0.2
381.09448	0.6
407.10706	0.2
449.12897	0.1
458.16809	0.1
473.11725	0.2
611.22815	0.7
611.31982	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.3
55.01867	0.2
55.05475	0.2
57.03425	1.8
59.04979	0.2
61.02911	0.7
67.05469	0.2
68.99784	0.3
69.03409	1.1
70.89987	0.4
71.04979	10.6
73.02894	0.4
75.04450	0.5
81.03402	0.7
81.07025	0.2
83.04949	0.6
85.02888	14.9
87.04438	0.6
91.05451	0.2
93.03355	0.2
95.04952	0.1
97.02857	1.1
99.04437	0.5
107.04951	0.2
107.08586	0.2
109.02848	0.5
109.03510	0.1
111.00772	0.7
111.04433	0.4
121.02807	0.7
123.04403	0.3
127.03886	0.7
129.05460	3.5
129.84444	0.1
135.04382	0.2
137.02309	2.2
137.09634	0.2
145.04926	0.9
147.04391	0.7
147.06482	1.1
149.02341	0.4
153.01770	2.3
163.03813	0.4
165.01793	1.5
173.05975	0.3
177.05438	0.2
183.02936	0.7
187.03831	0.2
191.03313	0.3
195.02896	0.2
201.05475	1.0
205.04749	0.2
219.06602	0.3
228.04257	0.2
229.04906	2.5
247.05983	0.5
257.04398	2.1
274.04694	0.7
275.05444	0.2
285.03897	1.2
287.05536	0.4
303.04926	100.0
304.05249	2.4
304.97479	0.1
345.06006	0.2
345.52853	0.2
465.10193	3.2
592.72839	0.2
611.13464	0.2
634.82489	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1594
Annotation	Kaempferol 3-O-beta-D-glucosylgalactoside
Peak:m/z	Relative Intensity
53.03923	0.4
54.41068	0.3
55.01849	0.5
57.03425	2.0
61.02912	1.2
67.05482	0.3
68.99786	0.4
69.03421	2.4
71.04978	9.4
71.62368	0.5
73.02876	0.7
75.04443	0.3
81.03411	1.1
83.04961	0.3
85.02890	17.4
87.04424	0.7
89.37040	0.2
97.02867	2.6
99.04413	0.4
105.03364	1.7
109.02905	1.1
109.10133	0.4
111.00767	1.0
111.04389	0.3
121.02856	2.4
123.04365	0.6
127.03889	1.6
129.05455	2.7
133.02780	0.3
135.04393	0.3
137.02307	1.6
138.09171	0.4
139.03833	0.3
145.04933	1.3
145.06424	0.2
147.04401	1.1
147.06456	0.7
153.01802	3.6
157.06317	0.3
161.05884	0.4
163.03828	0.2
165.01816	2.4
165.09166	0.2
166.08604	0.3
170.05653	0.2
171.04384	0.4
181.04875	0.2
183.02869	1.0
183.08519	0.4
185.05948	0.4
201.05363	0.7
213.05391	0.9
229.04909	1.4
231.06508	0.7
241.04907	0.8
247.05902	0.3
257.04440	0.8
258.05203	0.8
259.05969	0.3
267.08636	0.6
274.04529	0.4
285.03806	0.4
287.05441	100.0
288.05771	2.0
303.04932	47.5
304.05310	1.1
329.06531	0.2
345.06079	0.3
431.17917	0.6
449.10739	9.2
450.11380	0.2
465.10229	8.1
485.37823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1596
Annotation	Rutine
Peak:m/z	Relative Intensity
50.66240	0.1
53.03924	0.3
55.01863	0.2
57.03426	2.0
61.02911	0.4
65.02691	0.1
67.05474	0.2
68.99781	0.3
69.03417	1.1
69.52682	1.4
71.01347	0.2
71.04982	10.8
72.48978	0.1
73.02898	0.5
75.04460	0.6
81.03392	0.5
81.66481	0.1
83.04948	0.5
83.35831	0.1
85.02892	15.4
87.04436	0.4
91.03904	0.3
93.03370	0.2
95.04939	0.3
97.02895	1.1
99.04449	0.2
103.03924	0.2
109.02864	0.8
111.00781	0.5
111.04399	0.6
121.02837	0.8
123.04398	0.2
127.03931	1.0
129.05450	3.3
137.02312	2.1
145.04933	0.6
147.04378	0.4
147.06468	1.1
149.02338	0.2
153.01788	2.5
163.03938	0.5
165.01823	1.8
166.02606	0.2
173.05965	0.3
183.02892	0.7
191.06993	0.2
201.05446	0.9
229.04922	3.0
247.05867	0.4
257.04395	2.1
274.04672	0.5
285.03888	1.0
287.05484	0.6
303.04941	100.0
304.05252	2.7
315.04944	0.3
465.10214	2.3
611.14087	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
53.17337	1.3
55.01850	5.8
55.05507	24.9
56.05238	1.3
57.03440	11.6
57.07061	2.2
65.03912	1.9
67.05170	3.0
67.05499	41.5
69.03418	9.5
69.07056	33.1
71.04972	3.5
71.63103	3.0
78.91199	1.3
79.05051	2.6
79.05482	37.3
81.03410	38.7
81.07049	47.9
82.07334	1.7
83.04975	15.7
83.08609	21.3
85.02893	12.1
85.06550	2.6
91.05436	35.0
93.07033	35.4
95.04951	23.8
95.08596	26.2
97.02878	9.0
97.06544	7.8
97.10142	12.6
105.07014	30.3
107.04939	12.5
107.08575	23.2
109.06506	6.4
109.10131	8.4
109.98468	1.3
110.49606	1.3
111.04371	2.1
111.08046	9.1
117.06995	14.5
119.08567	25.7
119.71228	1.3
121.06484	4.9
121.10139	12.9
123.08028	7.1
123.11720	2.9
125.09630	9.2
129.06978	10.0
130.07715	1.7
131.08553	16.2
133.06458	5.3
133.10095	15.4
135.08046	4.7
135.11656	12.6
137.09576	4.3
139.11143	1.9
142.07771	3.3
143.08539	4.9
145.10106	14.3
147.08015	7.8
147.11678	10.8
149.09573	8.4
149.13196	2.2
155.08578	2.0
157.10112	10.8
159.11671	6.1
161.09599	1.8
163.11160	13.7
165.09105	1.6
165.12735	2.1
167.05507	2.4
169.12207	1.9
171.11623	2.9
173.09486	2.1
175.11163	9.0
177.12669	2.3
181.12207	3.5
183.11577	1.7
185.13261	1.8
189.11192	4.1
193.12213	29.4
195.13692	1.5
197.78188	1.5
211.13272	41.7
223.13225	18.7
227.12813	19.0
227.17862	2.3
227.19963	2.0
239.09537	1.8
239.17859	2.0
249.14890	4.2
255.15750	2.6
266.99924	1.7
267.15848	18.3
269.17404	4.4
273.18481	11.0
275.20016	4.5
283.15311	13.6
285.16919	41.7
291.19510	100.0
292.19876	2.6
299.06100	3.6
347.21982	2.2
349.23715	3.8
355.06958	4.5
365.23196	37.8
463.26974	3.8
477.28461	13.4
557.26923	2.3
557.34686	20.8
569.34192	5.1
575.35736	36.1
610.26288	2.4
610.35663	2.4
610.44928	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86632	2.4
53.03933	6.1
55.01855	6.4
55.05505	29.7
57.03419	9.6
57.07073	5.3
65.03920	6.2
67.05497	76.1
68.05838	5.1
69.07059	22.8
71.04965	6.4
71.08628	13.5
71.62864	4.6
73.04796	3.1
79.05050	5.1
79.05485	72.8
80.05799	4.6
81.03404	11.9
81.07050	76.5
82.07374	7.7
83.04961	20.3
83.08593	14.4
85.06531	3.7
91.05415	53.7
92.05781	3.4
93.07030	78.4
94.07383	6.4
95.04968	20.3
95.08589	45.1
96.08917	6.0
97.06536	12.9
97.10165	5.4
99.08086	9.7
105.07012	45.3
106.07347	6.4
107.04964	8.4
107.08583	34.9
108.08894	3.3
109.06515	14.5
109.10162	11.3
111.08069	6.6
117.07006	15.4
119.08566	36.9
120.08904	5.6
121.06515	5.5
121.10146	16.7
122.10465	3.7
123.08070	7.1
123.11692	3.8
127.07571	4.3
128.06216	3.6
129.06999	11.0
131.08577	19.9
133.10097	21.9
134.10411	4.4
135.11671	12.2
137.09616	3.2
143.08543	14.2
145.10120	25.1
146.10533	3.4
147.04402	8.4
147.07973	3.7
147.11671	30.1
149.09633	6.5
149.13246	8.2
151.11148	14.5
155.08519	5.4
157.10159	8.9
159.11720	12.8
160.12096	3.0
161.09636	3.1
161.13278	12.0
163.11209	13.8
165.12657	3.4
167.05550	5.8
169.10197	3.1
171.11633	21.1
173.13249	5.7
175.14809	5.0
177.12730	3.5
179.14279	5.0
183.11620	6.4
185.13237	4.4
189.12767	5.4
197.13252	4.3
202.15898	3.6
207.13785	17.0
220.17072	5.4
223.14935	3.5
227.12782	5.3
239.09546	6.7
257.19055	5.0
259.13315	6.7
259.20599	4.5
269.17441	12.4
275.19977	13.8
276.20456	9.1
277.21576	13.5
281.17484	42.7
285.01016	4.6
290.80466	3.0
299.06207	6.7
335.25751	3.5
349.24646	2.8
351.25345	13.2
355.07028	9.9
379.24704	3.4
435.61795	2.6
475.30444	65.9
495.29871	3.6
518.40674	5.0
557.38458	22.9
592.44379	5.7
610.27948	5.7
610.45428	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
53.03932	5.5
55.01867	12.7
55.05499	25.5
57.03422	13.1
63.84350	1.9
65.03947	2.8
65.77711	2.0
67.05490	69.0
69.03415	9.2
69.07050	21.8
71.04967	9.2
71.36321	1.9
71.63306	3.8
79.05476	51.8
81.03399	49.8
81.07037	78.3
83.04962	23.7
83.08601	19.7
85.02871	15.1
85.06533	6.7
91.05424	69.2
92.05798	3.4
93.07022	50.5
94.07350	3.3
95.04946	28.2
95.08585	30.7
97.02844	3.7
97.06519	8.1
97.10162	4.7
99.04442	2.6
99.08055	3.8
103.05458	2.2
104.10688	2.2
105.07005	64.3
106.07352	3.1
107.04910	12.6
107.08568	40.4
109.06474	11.8
109.10133	42.7
111.08064	10.7
113.06012	4.9
117.06928	10.3
119.08550	28.5
121.06474	8.1
121.10101	17.3
123.04399	2.3
123.08050	5.9
123.11649	10.2
125.09545	4.1
128.06198	4.0
129.06972	12.8
131.08548	19.8
133.06487	5.5
133.09091	3.6
133.10101	73.6
135.08044	11.1
135.11658	6.2
136.73058	1.9
137.09581	4.7
139.07451	2.4
142.07787	2.9
143.08537	5.5
145.10107	11.6
147.04355	2.4
147.07986	4.3
147.11661	17.9
149.09576	11.6
151.11139	29.3
157.10101	15.4
159.11661	5.5
161.09608	7.3
161.13269	2.4
163.11157	3.8
167.05562	3.2
169.12239	7.6
171.11693	6.0
175.11143	12.0
179.14267	1.9
183.11716	2.7
185.13222	2.5
193.12192	35.8
211.13231	56.0
215.12721	4.1
223.46506	1.9
239.09442	2.7
253.14297	100.0
259.13354	2.6
263.19958	2.9
267.15817	13.9
271.15289	3.6
273.18442	22.5
275.20050	3.6
276.20483	2.6
276.33652	2.3
285.00946	3.9
285.16891	36.7
291.19482	23.1
299.05988	4.0
309.20789	3.0
347.22067	7.9
355.06879	7.5
365.23166	29.7
418.16946	2.8
432.18799	3.0
445.25818	2.3
446.37296	2.2
455.17749	2.7
463.26852	13.5
481.27945	18.1
506.22449	7.5
550.25043	6.6
557.34576	9.5
575.35669	26.5
610.27399	32.1
610.45258	26.0
611.28583	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	609.4503
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03928	0.9
55.01860	1.4
55.05504	11.9
57.03429	2.4
57.07057	1.3
58.71911	0.4
59.04991	0.4
62.51181	0.3
65.03916	0.8
67.05492	19.8
68.34419	0.4
69.03423	0.6
69.07056	9.8
71.04976	0.9
71.08617	0.5
74.60694	0.4
79.05482	12.6
80.05813	0.5
81.07044	21.9
83.04961	1.5
83.08604	6.7
85.06530	0.9
91.05457	10.3
93.07030	13.6
93.07616	0.8
93.15816	0.3
95.04977	1.9
95.08595	17.4
95.63107	0.3
97.06524	2.3
97.10151	3.0
99.08088	0.8
103.05426	0.4
105.07015	12.4
107.04926	0.6
107.08578	10.0
109.06523	1.3
109.10136	7.1
111.08077	1.1
111.11695	0.5
115.05399	0.8
117.06998	6.7
119.08566	11.3
120.08923	0.4
121.10113	5.4
123.08044	0.7
123.11673	1.6
125.09600	1.5
128.06169	1.6
129.06978	8.1
130.07751	0.5
131.08548	10.8
133.10109	7.9
135.07999	0.4
135.11659	3.3
137.09547	0.5
137.13228	0.8
139.11119	0.5
141.06964	4.9
141.09151	0.4
142.07758	1.8
143.08537	12.6
145.10103	11.8
145.11267	0.6
147.11658	4.6
149.13234	1.8
153.06982	1.7
154.07787	0.8
155.08534	10.1
156.09326	1.2
157.10107	11.7
159.11668	8.3
161.09547	0.4
161.13266	2.7
163.11098	0.5
163.14851	0.7
165.06966	1.1
166.07805	0.6
167.08527	5.0
167.14293	0.5
168.09286	1.1
169.10115	12.3
170.10800	0.7
171.11670	11.6
173.09778	0.5
173.13239	4.4
175.14851	1.9
177.16341	0.5
179.08482	2.3
180.09300	1.1
181.10091	7.8
182.10905	1.4
183.11668	13.0
184.12357	0.5
185.09715	0.6
185.11609	0.7
185.13223	7.5
187.14821	3.3
189.16362	1.1
191.17847	0.4
192.09335	0.5
193.10106	3.2
194.10873	0.6
195.11662	7.5
196.12303	0.6
197.13225	10.3
199.13155	0.4
199.14793	6.7
201.16417	1.5
203.17921	0.4
205.10109	0.7
207.11656	3.1
208.12425	0.7
209.13239	8.5
211.14809	6.9
213.14600	0.6
213.16344	4.0
215.17960	1.2
216.51930	0.4
217.15865	0.4
218.10898	0.4
219.11638	1.1
220.12456	0.5
221.13235	2.9
222.13843	0.5
222.44205	0.4
223.14763	5.3
224.15469	0.5
225.16328	3.8
227.18030	3.0
229.19585	0.4
231.17455	0.5
233.13284	1.1
235.14769	2.1
237.16357	4.1
239.17932	3.5
241.15767	0.6
241.19598	1.2
247.14819	0.8
247.20386	0.5
249.16350	1.8
251.18005	2.3
253.19577	1.3
255.21234	0.8
257.19077	0.6
259.14868	0.4
259.20715	0.6
261.16443	0.8
263.17978	1.2
265.19528	1.8
267.21194	0.7
275.17633	0.4
275.20224	0.6
276.20438	0.5
277.19519	0.8
279.17679	0.6
279.21124	1.1
282.18030	0.4
283.20450	0.5
285.18646	0.6
285.22009	0.4
291.20926	0.5
293.22888	0.4
295.20526	0.7
297.18796	0.4
297.22321	1.0
299.20227	0.5
299.23581	0.5
305.22534	0.5
307.20444	0.9
309.21951	0.9
311.20032	0.6
311.23593	0.6
313.21634	0.6
319.20346	0.5
321.22137	1.1
323.23657	1.3
325.21658	0.6
325.25339	0.8
331.23880	0.5
335.23734	0.7
337.21552	0.6
337.25296	1.6
339.23105	1.0
339.26926	0.7
341.24753	0.5
349.25064	1.2
351.23163	0.8
351.26886	1.5
353.24942	0.6
355.07126	0.5
363.26865	1.3
365.24408	0.6
365.28320	1.4
367.26309	1.0
369.28125	0.5
377.28464	0.7
379.25784	0.6
379.30026	0.7
391.29846	1.0
393.27209	0.5
393.31732	0.6
395.29739	0.5
403.29791	0.5
405.31818	0.4
407.29138	0.7
409.30896	0.6
419.28433	0.5
421.30798	0.6
423.32465	0.4
425.30609	0.6
429.30896	0.5
435.32593	0.5
437.34280	0.5
439.32346	0.4
443.33167	0.5
447.32520	1.3
449.33832	1.1
461.33984	0.6
475.35641	0.6
485.33923	0.6
499.39291	1.6
513.36749	0.5
515.37524	0.5
517.40411	11.6
521.35999	0.7
525.35791	0.5
535.41486	6.1
539.37341	1.2
553.41846	1.2
555.41852	0.7
565.42023	0.6
573.43097	1.8
591.44067	14.9
609.45038	100.0
610.45483	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	609.4503
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
51.02378	0.5
53.03934	1.1
55.01862	1.6
55.05503	11.0
57.03432	3.2
57.07061	1.2
65.03924	0.8
67.05495	21.2
69.03409	0.7
69.07060	9.9
71.04994	1.2
79.05478	14.6
81.07045	19.1
83.04964	1.0
83.08614	4.4
85.06523	0.6
91.04891	0.5
91.04995	0.3
91.05463	12.3
93.07033	15.6
95.04945	1.4
95.08591	17.9
97.06525	2.2
97.10150	2.6
99.08081	0.5
103.05432	0.4
105.07014	14.9
107.08580	11.1
109.06524	0.8
109.10146	7.5
111.08062	0.8
111.11714	0.6
115.05468	1.1
117.07003	7.8
119.08566	12.9
121.06565	0.4
121.10136	7.2
123.08068	1.0
123.11691	2.1
125.09633	0.9
128.06216	1.3
129.06989	7.7
130.07773	0.6
131.08556	11.7
133.10114	8.5
135.08046	0.6
135.11685	3.9
137.09613	0.8
137.13248	1.1
139.11154	0.5
141.06970	3.3
142.07759	2.2
143.08539	10.8
143.62616	0.4
144.09314	0.7
145.10103	12.0
147.11656	4.5
149.09636	0.9
149.13246	2.3
153.06938	0.8
154.07790	0.6
155.08522	8.5
156.09320	1.4
157.10114	10.0
158.10884	0.5
159.11676	8.0
161.13228	3.5
163.11186	0.9
163.14815	1.2
165.07043	1.2
166.07854	0.5
167.08531	3.4
168.09314	0.8
169.10091	9.9
171.11664	10.7
172.12370	0.4
173.13243	5.4
175.14816	1.7
177.16344	0.5
179.08597	1.0
179.14340	0.5
180.09384	0.8
181.10094	5.7
182.10941	1.3
183.11673	9.1
184.12289	0.6
185.13222	6.6
187.14743	3.2
189.16411	1.0
193.10141	1.4
194.10867	0.6
195.11659	6.3
196.12389	0.6
196.81870	0.5
197.13235	7.4
199.14813	4.6
201.16397	1.4
203.17851	0.6
205.10097	1.0
207.11719	1.8
209.13248	5.3
211.14824	4.9
213.16420	3.1
215.17877	0.8
219.11708	0.7
221.13301	2.3
222.14008	0.4
223.14793	3.6
225.16338	2.9
227.14252	0.5
227.18021	2.7
229.19365	0.5
229.81833	0.4
233.13104	0.5
235.14761	1.9
237.16306	3.0
239.17877	2.3
241.19737	0.7
249.16333	1.0
251.17986	1.7
253.19638	1.2
257.18994	1.4
259.20544	0.4
261.16370	0.8
261.22174	0.6
263.17911	0.9
265.19525	0.7
267.21146	0.7
269.19232	0.5
275.20059	3.3
277.19421	0.7
279.21069	0.8
281.18918	0.5
283.20599	0.8
285.22284	0.5
291.21048	0.6
293.70584	0.4
297.21854	0.6
299.20309	0.6
299.23672	0.5
305.22784	0.6
309.22168	0.6
313.25232	0.8
321.22299	0.7
323.23499	0.9
325.21512	0.5
325.25092	0.5
327.23151	0.7
327.26923	0.5
335.23749	1.2
337.25363	1.6
339.26822	0.8
341.24789	0.8
349.25198	0.9
351.26828	1.8
353.24808	0.5
363.26459	0.8
365.28452	1.3
369.27884	0.6
377.28262	0.7
379.30145	0.6
381.27744	0.6
383.29431	0.6
391.29852	0.7
407.28928	0.6
425.30701	0.6
435.32306	0.6
445.31079	0.4
447.32574	1.7
449.34067	0.5
461.20300	0.4
461.33994	0.7
475.34195	0.6
497.35843	0.5
499.39542	1.3
501.35489	0.8
503.36365	0.5
511.23004	0.4
513.36176	0.6
515.37250	0.7
517.40363	6.8
521.36517	0.7
525.36517	0.5
527.36835	0.5
535.41534	4.8
539.37170	1.1
540.37683	0.6
549.25012	2.0
550.25372	0.5
553.42450	0.5
555.40961	0.5
565.42920	0.5
573.42975	0.8
591.43903	8.0
609.27429	4.8
609.45044	100.0
610.26849	0.8
610.45447	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	609.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
55.01850	4.2
55.05253	2.2
55.05502	23.5
57.03430	13.8
57.07062	1.8
61.02915	1.7
64.17328	1.4
65.03922	2.9
67.05495	58.6
68.05814	1.5
69.03418	21.5
69.07062	16.3
71.01332	1.7
71.04976	8.4
71.62794	2.7
73.02895	3.3
79.05482	51.0
80.05843	1.5
81.03406	89.5
81.07046	42.5
83.04978	21.7
83.08601	14.9
85.02892	14.2
85.06529	3.3
91.05458	41.2
93.07030	50.0
95.04954	21.9
95.08599	17.3
96.06097	1.3
97.02865	15.9
97.06508	9.3
97.10155	8.3
99.04434	6.4
99.08075	4.7
103.05529	1.8
105.07018	27.2
107.04950	10.5
107.08580	29.3
109.02877	15.0
109.06520	6.1
109.10132	15.7
111.04422	13.6
111.08059	7.7
113.06021	2.1
115.05402	2.1
117.07015	9.5
119.08567	18.3
121.06483	5.3
121.10121	13.0
123.04445	2.9
123.08043	5.2
123.11716	2.8
125.09599	7.5
127.03886	6.4
129.07021	9.4
131.08548	13.4
133.06464	4.9
133.10121	15.4
135.04538	1.6
135.08029	4.8
135.11678	25.7
137.05962	1.7
137.09608	4.1
143.08536	5.2
145.06441	2.1
145.10092	9.5
147.08075	3.5
147.11653	12.0
149.05928	1.6
149.09540	6.7
149.13223	2.4
151.11148	1.9
153.12712	2.7
155.08591	2.3
157.10112	11.9
159.11700	3.4
161.05978	2.0
161.09598	2.7
161.13309	1.5
163.11183	11.5
165.12764	2.8
169.12338	1.7
171.11697	2.1
173.04454	4.1
173.09590	3.1
173.13200	2.4
175.11165	7.6
181.12204	11.8
183.06487	1.8
187.11153	1.4
189.11218	1.7
191.10637	3.3
193.12230	24.4
197.13152	1.7
211.11284	2.8
211.13268	40.0
223.13205	1.9
227.12622	7.7
229.14285	2.6
235.13405	1.8
249.15007	1.7
253.14497	3.2
255.15895	13.0
267.15948	8.2
283.15372	4.3
285.01215	1.6
285.17007	3.3
291.19376	1.6
307.15469	1.9
308.98151	1.5
325.16379	4.4
329.20984	2.4
337.16382	3.0
350.51157	1.6
355.17422	8.8
355.22189	3.0
363.17935	2.3
381.19009	4.2
399.20108	1.9
411.19998	5.5
419.62149	1.5
421.25800	1.8
429.26202	3.0
439.26569	2.5
447.27274	17.3
465.28397	16.9
555.29895	2.4
563.68317	1.5
573.30341	2.5
591.31372	9.4
609.32635	100.0
610.32410	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	609.45
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03929	1.1
55.01857	1.3
55.05502	10.5
57.03419	2.2
57.07057	1.2
61.64805	0.5
63.60468	0.5
65.03931	1.0
67.05492	18.2
69.07057	8.8
71.04957	0.7
71.08618	0.5
79.05481	11.4
81.06569	0.8
81.07046	15.2
83.04961	0.9
83.08598	4.9
85.06529	1.6
91.05457	11.0
93.07023	11.9
95.04967	1.0
95.08588	15.1
97.06516	1.4
97.10166	2.5
103.05481	0.6
105.07015	10.1
105.08926	0.5
107.08576	8.4
109.06547	1.0
109.10129	7.8
111.08034	0.6
115.05453	1.2
117.07006	6.9
119.08554	10.0
119.09326	0.8
121.10129	5.1
123.08038	0.8
123.11713	1.8
125.09600	1.3
128.06212	2.2
129.06978	7.0
131.08548	9.6
133.10110	7.3
135.08002	0.7
135.11682	3.6
137.13251	0.6
141.06960	2.8
142.07755	1.8
143.08536	10.7
144.09233	0.5
145.10085	9.1
147.11653	4.1
149.13248	2.2
151.14853	0.7
153.06990	0.5
154.07753	1.3
155.08536	8.6
156.09410	0.8
157.10103	11.9
159.11667	7.3
161.13196	2.8
163.14833	0.6
165.06990	0.9
165.55507	0.5
166.07712	0.5
167.08540	3.9
168.09323	1.4
169.10106	11.4
170.10794	1.0
171.11662	9.4
173.13223	4.5
175.14822	1.3
177.16490	0.6
179.08586	1.5
180.09309	0.7
181.10080	5.2
182.10985	1.2
182.13072	0.5
183.11665	11.9
183.13181	0.8
185.13220	6.1
187.14813	2.9
189.16420	1.0
191.18042	0.5
193.10106	2.1
195.11674	6.8
196.12410	0.7
197.13229	8.6
199.14812	3.8
201.16388	1.5
203.17949	0.6
205.10130	0.6
206.10945	0.5
207.11609	2.5
209.13222	6.2
209.42578	0.5
211.14777	5.3
213.16394	3.1
215.17912	0.7
219.11664	0.8
220.12370	0.6
221.13269	1.8
223.14813	5.2
223.16771	0.8
224.15234	0.6
225.16313	4.0
227.18143	2.5
233.13164	0.5
235.14838	2.1
237.16391	2.5
239.17879	3.9
241.19711	0.7
249.16405	1.5
251.17982	1.8
253.19550	1.6
257.19040	0.7
261.16278	0.8
263.17963	0.9
265.19513	1.5
267.21121	0.8
283.20554	0.7
295.20413	0.9
297.22104	0.7
309.22021	1.0
311.23691	0.8
321.22153	1.2
323.23590	1.5
325.21729	0.7
335.23468	1.2
337.25269	1.5
349.25058	0.8
351.26917	1.5
353.28311	0.7
361.25360	0.7
363.26785	0.9
365.28421	1.3
377.27936	1.0
379.30017	0.8
393.31665	0.8
397.02356	0.6
405.31577	0.7
419.28882	0.6
421.30658	0.6
433.30905	1.0
435.32037	0.7
439.31982	0.6
447.32404	1.4
449.33817	0.8
461.33859	0.9
475.35388	0.9
499.39313	1.8
517.40289	9.9
523.37891	0.6
527.36462	0.5
535.41479	5.5
539.37097	1.9
553.42865	0.6
555.41400	0.5
565.42670	0.7
573.42816	1.5
591.43933	12.3
592.44196	1.3
609.45020	100.0
610.45551	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
55.01850	4.2
55.05253	2.2
55.05502	23.5
57.03430	13.8
57.07062	1.8
61.02915	1.7
64.17328	1.4
65.03922	2.9
67.05495	58.6
68.05814	1.5
69.03418	21.5
69.07062	16.3
71.01332	1.7
71.04976	8.4
71.62794	2.7
73.02895	3.3
79.05482	51.0
80.05843	1.5
81.03406	89.5
81.07046	42.5
83.04978	21.7
83.08601	14.9
85.02892	14.2
85.06529	3.3
91.05458	41.2
93.07030	50.0
95.04954	21.9
95.08599	17.3
96.06097	1.3
97.02865	15.9
97.06508	9.3
97.10155	8.3
99.04434	6.4
99.08075	4.7
103.05529	1.8
105.07018	27.2
107.04950	10.5
107.08580	29.3
109.02877	15.0
109.06520	6.1
109.10132	15.7
111.04422	13.6
111.08059	7.7
113.06021	2.1
115.05402	2.1
117.07015	9.5
119.08567	18.3
121.06483	5.3
121.10121	13.0
123.04445	2.9
123.08043	5.2
123.11716	2.8
125.09599	7.5
127.03886	6.4
129.07021	9.4
131.08548	13.4
133.06464	4.9
133.10121	15.4
135.04538	1.6
135.08029	4.8
135.11678	25.7
137.05962	1.7
137.09608	4.1
143.08536	5.2
145.06441	2.1
145.10092	9.5
147.08075	3.5
147.11653	12.0
149.05928	1.6
149.09540	6.7
149.13223	2.4
151.11148	1.9
153.12712	2.7
155.08591	2.3
157.10112	11.9
159.11700	3.4
161.05978	2.0
161.09598	2.7
161.13309	1.5
163.11183	11.5
165.12764	2.8
169.12338	1.7
171.11697	2.1
173.04454	4.1
173.09590	3.1
173.13200	2.4
175.11165	7.6
181.12204	11.8
183.06487	1.8
187.11153	1.4
189.11218	1.7
191.10637	3.3
193.12230	24.4
197.13152	1.7
211.11284	2.8
211.13268	40.0
223.13205	1.9
227.12622	7.7
229.14285	2.6
235.13405	1.8
249.15007	1.7
253.14497	3.2
255.15895	13.0
267.15948	8.2
283.15372	4.3
285.01215	1.6
285.17007	3.3
291.19376	1.6
307.15469	1.9
308.98151	1.5
325.16379	4.4
329.20984	2.4
337.16382	3.0
350.51157	1.6
355.17422	8.8
355.22189	3.0
363.17935	2.3
381.19009	4.2
399.20108	1.9
411.19998	5.5
419.62149	1.5
421.25800	1.8
429.26202	3.0
439.26569	2.5
447.27274	17.3
465.28397	16.9
555.29895	2.4
563.68317	1.5
573.30341	2.5
591.31372	9.4
609.32635	100.0
610.32410	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	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05497	0.9
57.03418	0.5
67.05492	3.0
69.07050	1.3
69.67341	1.7
79.05476	1.8
81.07037	2.7
83.04953	0.3
83.08612	0.6
85.49522	0.2
85.50082	0.2
91.05448	1.8
93.07034	2.9
95.04965	0.5
95.08593	2.0
97.06495	0.5
98.65273	0.3
102.10381	0.2
105.06995	1.8
107.08570	1.2
107.31599	0.2
109.10142	0.9
117.06999	0.8
119.08558	1.7
121.10135	0.8
129.06992	0.9
131.08519	1.4
133.10132	1.1
135.11687	0.4
141.06914	0.4
142.40352	0.2
143.08542	0.9
145.10139	1.3
147.11656	0.7
149.13216	0.3
155.08549	0.6
157.10046	1.2
159.11656	0.7
161.13260	0.3
164.86534	0.2
167.08537	0.4
169.10094	1.0
169.11781	0.2
171.11705	0.8
173.13193	0.5
181.10268	0.3
183.11722	0.9
185.13284	0.8
187.14832	0.3
195.11646	0.4
197.13266	0.4
199.14833	0.4
209.10712	0.2
209.13269	0.5
211.14841	0.3
224.12973	0.3
225.16318	0.5
227.17918	0.3
237.16187	0.3
239.17912	0.3
275.20013	0.8
321.47824	0.2
340.13504	0.3
350.51260	0.3
377.17813	0.4
388.16803	0.5
389.17563	0.7
390.18393	0.6
391.19110	1.2
392.20050	0.5
401.17499	0.6
402.18558	0.3
403.19339	1.8
404.19992	1.0
405.20950	2.3
406.21567	0.8
407.22162	1.5
414.18982	0.3
415.19214	1.0
416.20120	0.9
417.16782	1.1
417.21649	1.9
418.17389	0.6
418.22189	0.5
419.17590	0.5
419.22812	3.1
420.23041	0.9
421.23990	0.3
429.16431	0.6
429.21439	0.5
430.17175	1.6
431.17792	2.5
432.18396	1.2
432.23944	0.6
433.20078	5.9
434.20511	0.4
435.21817	1.0
443.18066	1.8
444.19049	2.1
445.19754	3.6
446.21085	2.8
447.21832	3.8
448.22916	2.0
449.23462	0.5
457.20297	0.4
458.20895	6.0
459.21704	4.6
460.22885	3.1
461.19830	1.0
462.19687	0.4
463.21030	2.4
465.22876	0.4
472.22928	0.3
473.23431	0.8
474.20627	0.3
475.20227	1.4
476.21817	1.1
477.22568	1.7
478.23584	0.5
479.24075	0.4
487.24997	0.4
489.19485	0.8
490.23404	0.7
491.20709	0.7
503.24103	1.3
505.22156	0.5
516.21155	0.3
517.22333	0.9
517.40277	1.0
518.23090	3.4
519.23779	9.9
520.24133	0.7
521.22437	2.2
521.24805	2.2
531.23749	1.8
532.24677	1.1
535.22992	0.3
535.41290	0.4
548.24249	0.3
549.24780	5.3
559.23407	0.3
563.26208	0.8
576.23273	0.4
577.24640	0.3
579.26068	0.4
580.23828	0.3
581.26642	0.4
591.25934	12.3
591.44287	0.8
592.26697	0.6
609.26910	100.0
609.44879	8.8
610.27277	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	609.2696
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.39718	0.3
53.85508	0.3
60.88455	0.2
70.22302	1.3
70.22593	0.3
74.02944	0.4
79.05495	0.4
81.07051	0.5
93.07025	0.6
95.08603	0.4
152.73070	0.3
222.11496	0.3
223.12190	0.3
237.13910	0.6
242.70599	0.3
257.18951	0.3
350.16269	0.4
375.16211	0.3
376.17154	0.5
377.17532	0.8
378.18353	0.3
388.17435	0.4
389.18338	0.6
390.18423	0.8
391.19290	1.4
392.19867	1.1
393.21121	0.5
400.17200	0.5
401.17480	0.5
402.19070	0.3
403.19437	0.9
404.20700	0.8
405.16174	0.3
405.20959	2.7
406.21484	2.2
407.22141	3.2
408.22592	0.3
413.18121	0.4
414.18512	0.9
415.19086	2.2
416.19980	0.4
417.21082	0.7
418.17593	0.4
419.18399	0.9
419.22546	0.8
420.23193	0.7
421.24042	3.8
422.24585	0.5
427.19257	0.9
428.20105	0.5
429.20880	2.6
430.21945	1.2
431.17874	0.5
431.22803	0.7
432.19269	0.6
433.19888	2.0
433.24741	0.7
434.25076	0.4
435.21600	0.4
442.21451	0.6
443.22269	1.1
444.23288	1.5
445.20270	1.2
446.20734	0.4
447.18182	1.5
447.22906	0.5
448.18457	0.4
449.23386	0.9
452.22049	0.5
455.18292	0.4
457.24371	2.0
458.24756	0.5
459.21848	2.5
460.22665	1.1
461.19067	4.5
462.20117	2.1
463.20734	1.4
468.20493	0.3
470.21210	0.4
471.18002	0.7
472.22849	0.8
473.19012	0.6
473.24295	0.5
474.20612	0.8
475.20929	7.2
476.21738	5.8
477.22363	4.0
478.23239	0.9
479.24561	0.5
485.23386	8.6
486.20041	2.7
487.20779	0.8
487.25781	0.6
488.22211	0.6
489.22766	4.1
493.21744	0.5
494.26480	0.8
497.23645	0.5
499.21353	2.7
500.22379	1.6
502.23520	0.9
503.24564	5.4
504.21799	1.0
504.24243	1.0
507.23981	0.7
513.22888	1.3
515.24359	7.6
516.24683	0.4
517.22327	0.9
518.23444	0.6
521.26080	2.2
531.23889	13.3
532.24164	0.8
534.22107	0.4
535.23676	1.1
541.22198	0.7
548.24158	0.7
549.24866	2.4
550.25592	4.6
559.23291	6.3
563.26398	0.5
577.24365	1.2
591.25934	26.6
592.26404	1.3
594.24420	0.3
595.65485	0.3
609.26971	100.0
610.27271	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
57.76284	0.3
58.25304	0.3
67.05493	0.9
69.37350	0.3
70.87299	0.7
70.87627	0.6
79.05486	1.1
81.07053	0.9
91.05458	1.0
93.07024	1.1
95.08611	0.6
107.08532	0.6
119.08593	0.8
121.10149	0.9
125.39455	0.4
131.08521	0.5
132.07126	0.3
133.10153	0.4
145.10094	0.8
147.11595	0.5
159.11746	0.4
223.12344	0.4
224.13145	0.4
224.51263	0.4
238.14835	0.5
251.15465	0.5
275.20010	0.5
313.27533	0.3
376.17563	0.4
377.18115	0.6
389.18369	0.5
390.18625	0.7
391.19284	1.6
392.20004	1.3
401.17636	0.5
402.19019	0.6
403.19711	0.8
404.20694	0.8
405.20758	2.5
406.21439	1.2
407.22342	2.7
413.18243	0.5
415.19064	1.3
417.21088	0.7
418.21805	0.5
419.22409	1.3
420.23438	0.6
421.23685	3.7
422.24551	0.6
427.19345	0.6
428.19888	0.5
429.20782	2.0
430.22107	0.5
433.20044	1.4
433.24698	0.9
435.21722	0.7
442.21704	0.5
443.22382	0.8
444.23154	1.1
445.20197	0.9
447.18225	1.9
448.18573	0.5
452.21948	0.8
457.24109	1.1
459.21710	1.4
460.22513	1.6
461.19128	4.5
462.20248	1.7
463.21271	1.5
471.18073	0.7
472.22845	0.7
473.19278	0.6
474.20724	1.2
475.21027	6.8
476.21704	5.9
477.22278	4.0
478.23679	1.1
479.23871	0.5
485.23486	5.8
486.19907	2.3
487.20679	0.5
487.25589	0.7
488.21765	0.8
489.22870	4.5
493.22037	0.6
499.21332	3.7
500.22211	1.6
503.24609	6.5
504.25735	1.0
505.22220	0.6
507.23715	1.2
513.22729	1.3
515.24353	5.7
517.22186	1.7
518.23541	0.5
521.26172	3.5
531.23810	8.8
532.24146	0.5
533.25079	0.4
535.23352	0.9
541.22034	0.6
548.23889	0.6
549.24939	2.2
550.25677	4.6
559.23163	4.6
563.26422	1.3
577.24255	1.5
591.25970	10.4
592.26459	0.4
609.26959	100.0
609.44531	2.6
610.27216	4.5
630.23450	0.4
639.93311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2697
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03944	0.3
55.01867	0.3
55.05494	0.9
57.03416	0.2
57.07060	0.8
58.54064	0.2
66.52158	0.2
67.05154	0.4
67.05492	3.7
69.07049	0.9
71.08607	0.4
79.05490	2.3
81.07043	2.3
81.37088	0.3
83.04979	0.4
83.08601	0.6
91.05445	1.8
91.90806	0.2
93.07017	1.9
95.04929	0.6
95.08585	1.7
97.06527	0.3
105.06998	2.0
107.08579	1.0
109.10138	1.9
110.10488	0.5
117.07013	0.8
119.08580	1.7
121.10160	0.6
129.06972	0.6
131.08554	1.0
133.10106	1.0
135.11676	0.4
143.08542	0.8
145.10118	1.0
147.11668	0.4
149.09612	0.5
157.10132	0.5
159.11682	0.9
161.13295	0.3
169.10110	0.3
171.11671	0.3
173.13318	0.4
179.14259	0.3
183.11790	0.3
185.96156	0.3
186.88071	0.2
197.13156	0.3
209.10788	0.4
213.75987	0.3
229.90715	0.4
236.13089	0.3
251.15410	0.3
257.19125	0.6
275.20148	1.1
390.18546	0.3
391.19562	0.5
392.20654	0.3
403.19446	0.4
404.20480	0.3
405.20728	0.8
413.17548	0.3
414.18195	0.3
415.19147	1.0
416.20065	0.5
417.20859	0.5
418.21964	0.3
419.18552	0.8
419.22998	0.5
420.19046	0.3
427.19214	0.3
428.19894	0.3
429.20959	2.1
430.21573	0.9
431.18555	1.0
431.23212	0.4
432.19534	0.4
433.24838	1.8
434.21176	0.5
435.21796	0.5
443.22247	0.9
444.23798	1.6
445.19431	0.4
445.24213	0.9
447.17197	0.6
447.22891	1.4
449.23312	0.9
452.20819	0.3
457.19977	0.6
458.25034	0.7
459.21341	4.1
460.22684	2.4
461.19293	2.1
461.23755	2.4
462.20523	1.5
463.21286	1.0
467.37418	0.9
468.37686	3.1
471.22263	0.4
472.22470	1.4
473.23297	1.0
474.24051	0.5
475.20679	0.4
475.25616	0.5
476.21756	2.0
477.22556	1.8
485.23285	1.4
487.25000	3.3
489.23157	1.9
490.23163	0.4
491.20053	0.3
492.25949	0.4
493.26727	0.3
502.23962	0.3
503.24716	1.8
505.18839	0.6
505.25629	0.5
507.24246	0.5
517.22205	0.4
517.40454	0.3
518.23273	0.6
519.23602	1.9
520.22894	0.3
521.21515	3.2
531.23846	21.7
532.24536	1.6
534.22437	0.4
549.24878	12.7
550.25299	0.5
563.26160	1.0
580.22937	0.5
591.25964	3.7
594.24054	0.3
609.26965	100.0
609.44611	4.6
610.27417	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	609.1445
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
53.03938	1.3
55.01864	17.5
55.05489	1.3
57.03429	17.5
59.04976	0.8
60.09893	0.6
61.02918	14.2
62.17041	0.6
66.46810	0.5
67.05479	1.5
69.03419	30.3
70.03757	1.0
70.50977	2.1
71.01326	2.4
71.04960	1.0
73.02906	42.6
73.09467	0.6
79.05468	1.5
81.03400	7.2
81.07037	2.0
81.07511	0.5
82.45802	0.5
82.51373	0.6
83.04952	2.4
85.02418	0.9
85.02895	14.6
87.04459	3.1
91.05473	1.5
95.04928	1.3
95.08589	0.9
97.02878	68.0
97.06505	0.8
98.03197	1.2
99.04420	2.2
105.07015	0.9
107.08550	0.9
108.24346	0.7
109.02854	2.1
109.10138	1.3
109.66160	0.6
111.00791	1.1
111.04413	1.7
115.03915	62.3
121.02850	1.6
123.04364	1.1
127.03887	1.9
129.05447	0.8
133.04951	19.6
133.10106	1.2
137.02301	3.3
137.05937	1.2
137.09558	1.0
139.03883	10.1
147.04382	2.6
151.03922	1.0
153.01797	2.8
157.04977	5.1
159.06526	1.1
163.03870	1.5
165.01825	1.9
165.09073	1.1
167.07013	1.0
175.05998	49.7
181.04971	1.0
183.02823	1.2
193.04921	5.3
201.05397	1.1
211.05959	1.8
217.07071	8.5
219.06747	0.6
229.04912	3.2
229.07054	5.2
240.72917	0.7
250.96724	0.6
257.04364	2.4
271.08145	0.8
285.03824	0.9
287.05484	12.4
288.05789	10.0
289.06070	10.0
303.04950	100.0
304.05258	0.8
315.04883	4.6
317.15506	0.6
327.04959	1.3
329.06683	0.7
345.05966	5.2
353.06503	2.3
381.05957	8.5
399.06934	4.6
417.08319	1.1
420.09741	0.7
421.10394	0.9
435.11743	0.8
451.06985	0.6
459.09155	1.8
477.10202	5.3
605.94092	0.8
609.21814	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.4
55.01877	9.9
55.05252	2.6
55.05504	31.2
55.75576	2.1
57.03419	9.1
57.07066	4.1
65.03937	7.3
67.05496	95.6
68.05826	2.8
69.03422	4.4
69.07059	42.0
71.04983	4.5
73.06555	2.1
73.92908	1.8
79.05486	92.4
80.05824	4.1
81.03404	22.3
81.07045	93.1
82.07380	5.0
83.04971	24.0
83.08604	14.2
84.08927	2.2
85.02895	2.4
85.06528	5.9
91.05471	80.0
92.05818	2.8
93.07032	100.0
94.07397	4.4
95.04956	29.1
95.08594	53.8
96.08926	5.1
97.02874	3.6
97.06520	16.9
97.10144	7.0
99.08090	4.3
103.05461	1.8
105.04531	3.0
105.07017	64.5
106.07388	2.1
107.04945	13.6
107.08575	45.5
108.08913	2.5
109.06496	12.0
109.10129	14.1
111.04398	2.4
111.08064	7.5
115.05420	2.4
117.07010	22.6
119.08572	42.3
120.08950	2.4
120.38736	2.1
121.06506	5.6
121.10127	16.8
123.08050	7.7
123.11661	3.7
125.09632	3.9
128.06203	4.8
129.06993	15.0
130.08780	1.6
131.08554	20.6
132.08881	2.8
133.06532	2.4
133.10110	29.2
134.10452	2.8
135.08014	4.2
135.11652	11.9
137.09621	2.6
141.06998	4.0
142.07846	2.1
143.08548	12.7
144.08925	1.8
145.10121	21.3
147.08141	3.0
147.11665	39.8
149.09570	11.3
149.13281	11.9
151.11215	2.4
155.08499	6.0
157.10120	5.7
158.10556	2.6
159.08157	1.9
159.11630	18.1
160.12071	3.3
161.09645	4.3
161.13298	11.2
163.11211	9.5
164.11560	1.7
167.08559	4.1
169.10103	7.2
171.11656	26.4
172.12057	1.9
173.13210	6.1
177.12735	5.2
179.14369	2.8
181.10104	3.8
183.11703	3.3
185.13251	4.8
189.12733	13.0
195.11736	3.0
195.13733	3.7
196.12106	3.0
197.13161	4.9
204.71465	2.0
207.11832	2.8
207.13786	24.9
210.13922	2.2
225.14716	3.3
235.14809	2.3
239.17906	4.4
247.20645	2.5
255.15852	4.6
257.18970	10.6
269.17526	12.0
273.11203	3.8
275.20065	27.5
281.17447	65.4
293.21115	2.6
304.22821	1.9
321.17218	2.4
344.01294	1.9
349.23642	19.9
433.20160	2.5
446.20880	3.3
448.22369	2.2
461.28873	31.8
467.37415	9.9
475.30481	86.2
476.21945	3.5
516.39325	4.5
519.23114	2.9
549.25244	9.6
555.36731	27.7
573.38293	4.8
608.26398	7.4
608.34729	19.1
608.43707	48.1
609.26947	61.7
609.42657	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	608.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05509	4.2
57.03411	0.7
57.07070	14.5
59.04972	1.3
65.03913	0.7
67.05495	36.9
69.07050	4.1
71.04974	1.4
71.08625	10.1
71.62778	1.0
75.96534	0.5
79.05480	2.4
81.07048	11.3
82.07353	0.7
83.08607	6.1
85.06541	1.4
85.10178	5.6
91.05454	3.7
93.07030	3.7
95.04938	0.8
95.08592	12.2
97.10139	1.9
99.08062	0.7
105.07006	2.0
107.08580	2.4
109.10139	31.6
111.08092	1.4
111.11671	0.6
117.07043	0.6
119.08582	3.0
121.10146	1.2
123.11655	1.3
131.08553	1.2
131.18373	0.6
133.10080	1.5
135.11613	0.9
137.09593	1.2
145.10098	0.8
147.11604	0.6
147.32642	0.6
155.10628	1.2
157.10152	0.8
169.06987	0.6
169.10065	0.8
171.11690	0.6
173.11728	5.2
180.13802	3.1
181.09987	0.7
195.11652	0.6
198.14854	4.8
202.21709	0.6
229.14369	2.0
234.54434	0.6
239.23718	1.7
268.84918	0.6
278.11533	1.0
282.27930	1.5
302.37091	0.6
313.27402	2.0
334.14227	0.9
347.93121	0.6
352.15170	2.6
467.37265	100.0
468.37497	3.5
516.38812	0.7
590.37842	9.0
608.26599	1.2
608.43951	7.1
609.26520	0.9
609.45233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00576	1.6
53.03927	8.6
55.01862	12.4
55.05503	30.2
57.03431	10.8
57.03666	1.9
57.07060	2.9
65.03917	5.0
67.05494	75.1
69.03392	4.5
69.07055	33.5
69.56994	2.1
71.04984	6.1
77.39414	1.8
79.05479	81.3
81.03402	15.5
81.07042	95.8
83.04964	18.5
83.08617	16.3
85.06510	5.5
91.05464	72.8
93.07026	89.1
93.07616	4.1
95.04951	28.9
95.08588	42.6
97.06512	17.7
97.10135	6.7
99.04454	2.2
99.08089	3.9
105.07012	66.0
106.07356	4.0
107.04933	12.6
107.08571	42.9
109.06485	8.7
109.10137	29.1
111.08051	6.0
115.05465	2.9
117.07020	23.4
119.08559	41.4
121.06473	7.6
121.10128	15.6
123.08051	9.0
123.11691	4.7
125.09634	5.1
128.06137	2.7
129.06978	16.1
131.08562	18.7
133.06535	2.5
133.10104	34.1
135.08037	4.4
135.11668	15.6
137.09605	4.8
139.11081	2.4
143.08542	12.7
145.10107	24.2
147.08017	3.2
147.11659	35.5
149.09593	11.7
149.13214	8.7
151.11165	8.1
155.08513	3.1
157.10110	3.7
159.11656	17.1
161.09610	4.8
161.13228	12.9
163.11151	11.5
165.12727	2.6
169.10049	5.4
171.11649	27.9
173.13240	4.5
177.12700	5.8
179.14182	4.0
185.13347	3.0
187.11224	2.7
189.12660	9.9
195.13785	7.1
199.14769	2.0
207.11826	3.2
207.13747	25.0
209.11421	2.1
220.31882	2.2
239.17961	2.8
247.82202	2.3
253.14301	30.4
255.15936	8.5
257.18964	8.3
269.17413	19.7
273.18427	3.0
275.19958	19.6
276.20377	2.2
281.17419	51.5
283.15341	16.2
291.19431	3.1
349.23633	12.5
365.22922	3.3
367.24600	3.8
433.19739	2.5
461.23260	3.4
461.28934	32.3
467.37152	2.7
475.30493	100.0
479.26093	7.9
555.36682	20.9
573.34326	8.7
608.26624	6.2
608.35492	3.8
608.43561	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	607.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01865	2.9
55.05257	0.7
55.05503	10.5
57.03431	2.6
57.07061	1.7
61.02928	0.5
65.03918	1.8
67.05493	23.0
69.03428	1.3
69.07059	11.5
71.04973	2.0
71.63078	0.6
77.03946	0.6
78.39993	0.6
79.05474	17.1
81.03408	2.0
81.07044	22.8
83.04974	2.2
83.08611	5.6
85.06538	1.2
87.35091	0.6
87.58652	0.5
91.05466	15.9
92.60114	0.6
93.07027	17.8
95.04955	2.8
95.08589	17.1
97.06519	3.0
97.10155	3.7
99.08119	0.6
102.57037	0.5
105.07008	17.0
107.04960	1.5
107.08578	10.7
109.06499	2.0
109.10140	8.4
111.08039	1.2
115.05410	1.2
117.06997	7.2
119.08567	12.9
121.06533	0.8
121.10137	6.0
123.08076	1.1
123.11704	1.9
125.09611	1.5
128.06209	2.2
129.06969	6.8
130.07745	1.1
131.08540	10.9
133.10106	9.9
135.08073	1.1
135.11684	4.1
141.06947	3.9
142.07773	2.4
143.08534	10.0
145.06471	0.7
145.10100	11.1
146.10475	0.5
147.08054	0.6
147.11656	6.4
148.08347	0.5
149.09602	1.3
149.13235	1.6
151.11192	1.0
153.07019	1.6
154.07729	1.0
155.08553	7.2
156.09348	1.7
157.10104	8.5
159.11659	6.9
161.09648	1.0
161.12140	0.5
161.13243	3.2
163.11221	1.2
164.61818	0.5
165.07048	2.0
165.12744	0.6
166.07706	1.1
167.08521	5.8
167.09653	0.6
168.09361	1.3
169.10103	10.7
170.10622	0.9
171.11655	8.8
173.09454	0.7
173.13203	4.5
175.14809	2.0
177.12823	0.6
179.08540	3.4
179.14186	0.6
180.09238	1.0
181.10091	10.5
182.10782	0.8
183.11668	9.7
183.13225	0.9
184.12360	0.6
185.09663	0.5
185.13219	5.8
187.14848	1.5
191.08542	1.1
192.09398	0.7
193.10109	4.1
194.10844	1.1
195.11658	8.8
196.12285	0.8
197.13255	7.6
199.14758	4.1
201.16438	0.9
205.10022	1.4
206.10887	1.2
207.11720	4.6
207.13710	1.3
208.12395	0.8
209.13226	8.4
210.13956	0.8
211.14796	4.5
213.12698	0.9
213.16451	1.7
217.15829	0.9
219.11653	2.5
220.12404	0.8
221.13185	5.0
223.14787	7.2
225.16411	3.0
227.12706	1.3
227.18094	0.6
229.19395	0.6
233.13274	2.2
235.14761	3.8
237.16330	3.9
239.17992	2.5
241.19595	1.3
245.13206	0.6
247.14819	1.4
249.16306	2.5
251.17831	3.4
255.17491	0.8
257.19058	1.5
259.14655	0.6
259.20657	1.1
261.16388	1.3
263.18008	1.7
265.15744	0.6
265.19452	1.8
275.20135	3.6
277.19580	1.0
279.20972	0.9
281.17352	1.0
287.05530	1.5
291.20990	0.6
295.20566	1.3
297.22195	0.6
307.20682	1.0
315.23346	1.0
319.20493	1.0
321.22250	1.0
323.23834	1.2
325.21759	0.6
331.23013	0.6
333.21884	0.8
335.23679	1.1
349.24628	1.9
351.23099	1.0
353.24872	1.1
361.25122	0.6
363.26825	2.0
375.26797	1.1
377.28485	1.3
389.28369	0.9
393.52051	0.7
403.30392	0.8
417.75626	0.7
421.30795	1.2
431.28662	0.7
433.30972	0.7
445.20322	0.7
445.30841	1.3
463.31476	0.8
467.37137	0.9
497.38177	1.2
509.36679	0.7
515.38879	8.7
519.23712	0.6
533.39899	5.3
537.35565	1.7
538.36731	1.4
539.37128	0.7
551.40778	1.8
555.36652	1.7
571.40991	1.6
589.42554	7.2
590.42627	0.9
607.43469	100.0
608.43805	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	607.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58786	0.8
53.03934	5.9
55.01859	5.6
55.05500	19.4
55.56949	0.8
57.03428	7.4
57.07080	2.4
65.03928	2.9
67.05492	52.9
69.03419	16.7
69.07055	15.8
71.04983	6.9
71.62862	0.8
71.63264	1.3
73.02896	0.8
79.05476	35.1
80.94740	0.9
81.03403	52.5
81.07040	73.3
83.04974	13.9
83.08605	10.7
85.02885	6.6
85.06538	3.8
91.05463	30.6
93.07026	46.8
95.04947	11.1
95.08587	21.4
95.09146	1.4
97.02883	10.6
97.06503	9.5
97.10146	2.2
99.04428	3.9
99.08097	3.3
101.06120	0.7
103.05457	1.3
103.94505	0.7
105.04522	0.8
105.07018	19.3
105.07671	1.4
107.04926	4.3
107.08572	25.9
107.09267	1.6
109.02861	9.6
109.06480	5.3
109.10132	7.0
111.04417	6.6
111.08050	5.5
113.06049	1.2
115.03909	1.5
115.05476	1.0
115.58854	0.8
117.06993	11.4
119.04955	1.1
119.08545	11.0
121.06474	4.8
121.10111	14.8
121.10861	0.9
123.04422	1.8
123.08059	3.3
123.11710	4.7
125.06000	0.9
125.09630	2.5
125.36256	0.8
127.03897	7.1
128.06252	1.8
129.05479	1.3
129.07007	5.5
131.08548	14.2
133.06541	1.9
133.10106	11.4
133.10919	0.9
135.08064	3.3
135.11671	8.9
137.09610	1.6
139.03923	1.2
141.07022	1.7
143.08597	3.5
145.04860	0.8
145.06482	2.8
145.10161	3.7
147.04442	1.0
147.08055	2.4
147.11653	11.2
149.09648	3.0
149.13231	14.8
151.11165	2.0
155.08549	2.2
157.10153	3.5
159.08060	1.7
159.11664	11.1
161.09534	1.3
161.13312	1.5
163.11215	2.8
165.05568	0.9
165.12657	4.4
167.08531	1.0
169.10173	2.2
171.08028	1.3
171.11700	2.6
173.04530	3.0
173.13303	1.5
175.11238	2.5
177.12700	7.4
179.08627	1.1
181.10158	1.3
183.06607	1.6
183.11748	1.6
185.13280	1.6
189.12817	1.4
193.12305	1.5
195.03123	1.0
195.11920	1.4
195.13762	13.9
197.13248	1.9
201.12830	1.4
211.13315	1.2
213.13063	1.0
213.14929	3.7
219.13837	1.7
227.12729	1.4
229.14407	3.4
233.15520	1.5
239.14548	1.2
249.14865	1.3
261.14987	1.0
267.15921	4.9
269.17444	13.2
275.16547	1.9
285.14536	1.3
285.17249	1.4
287.05441	12.5
289.18060	1.0
291.19592	1.2
293.17575	0.9
297.17004	1.7
303.15952	3.6
311.18704	1.2
315.21851	1.0
321.16928	4.1
339.18015	11.4
353.24512	1.2
377.19632	4.3
395.20663	13.2
395.25461	1.3
421.26068	1.2
445.29498	7.5
460.22620	1.9
463.30563	11.9
479.30167	1.1
501.24130	0.9
505.23172	1.0
529.31604	1.9
533.30536	1.2
547.27362	4.1
553.31787	1.2
571.32806	2.3
589.33350	7.6
607.35004	100.0
608.35400	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	607.296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
53.32774	0.6
55.01858	1.5
55.05502	14.8
55.37689	0.7
56.05021	1.5
57.05804	1.7
57.07062	1.2
67.05490	4.9
69.03414	7.4
69.07055	4.5
69.59534	2.8
69.59967	2.6
70.06572	3.4
71.04979	3.9
71.08628	0.8
72.08144	100.0
76.24745	0.7
79.05480	3.3
81.03409	2.1
81.07041	8.1
82.06564	1.3
83.04974	2.3
83.08606	2.6
84.08129	16.4
85.02907	4.3
85.03346	0.7
85.06506	1.3
86.09710	2.2
91.05460	5.0
93.07025	4.5
93.33675	0.7
94.06499	0.6
95.04963	6.0
95.08598	4.0
96.08124	1.3
97.02865	4.5
97.06517	1.2
97.10155	1.7
98.06003	1.0
98.09675	57.7
98.20782	1.5
99.04449	2.2
99.09210	1.0
100.11241	4.0
101.58335	0.6
105.03355	1.1
105.07019	3.4
107.04968	2.9
107.08582	4.0
109.02876	2.6
109.06547	1.4
109.10120	4.1
110.06012	1.4
111.04427	1.4
112.07616	2.9
113.57190	0.8
115.03912	4.0
115.33714	0.7
117.07031	1.9
118.06523	1.1
119.04186	0.7
119.04902	4.2
119.07336	1.1
119.08545	3.9
121.02892	2.0
121.06522	2.4
121.10112	3.4
123.04414	3.3
123.08035	1.6
123.11704	2.9
125.09613	1.1
127.03909	2.7
127.08708	1.1
128.07091	1.0
131.04919	1.9
131.08585	1.6
132.08058	0.9
133.06529	0.9
133.10130	1.9
134.06006	0.8
135.08104	1.3
135.11662	1.0
136.07535	7.4
137.05997	2.5
137.09642	2.2
138.12810	1.8
139.03825	1.7
140.07080	2.0
142.07841	0.8
143.08536	1.5
143.11800	1.8
144.06569	1.0
145.02760	1.0
145.06488	1.5
145.10146	2.7
146.06052	0.8
147.04410	5.9
147.08060	1.2
147.11702	2.4
149.05917	0.7
149.09586	1.2
151.03897	0.8
151.07562	2.5
153.01797	1.3
157.10074	1.5
159.06754	0.8
159.11644	1.1
160.07552	6.0
161.09641	2.9
161.13277	0.7
162.09117	0.9
163.03899	0.8
164.10736	1.1
165.05560	3.6
165.09177	1.2
166.12302	3.2
168.13895	3.2
169.09996	1.1
171.04434	0.9
171.08107	1.0
171.11331	3.3
173.09666	3.0
173.13217	1.1
175.06062	1.4
175.11249	1.2
177.05533	2.3
177.09074	8.1
179.07051	0.8
181.09981	0.9
181.13419	1.0
182.08134	6.4
182.11789	1.4
182.15410	1.3
185.09679	3.0
185.13063	0.8
187.11168	2.2
189.05586	2.2
189.09068	14.1
190.12245	4.3
192.10300	0.9
202.12242	20.7
202.14076	1.1
203.08319	1.7
206.08073	1.3
208.09933	1.1
210.11258	6.1
210.14917	1.7
211.15225	0.8
212.10774	0.9
213.05484	0.7
213.09128	2.8
217.08733	1.3
219.10110	7.1
228.10179	1.0
229.13493	1.7
230.11687	4.2
230.15404	1.0
231.10127	11.8
236.12724	4.3
236.33316	0.7
237.12349	1.2
238.10789	2.9
245.12787	3.8
247.14487	2.5
248.12781	15.2
248.15178	1.2
249.08827	1.1
253.11827	5.9
274.10971	0.9
275.14020	3.2
276.12460	1.9
287.05444	37.5
288.05838	2.1
289.06866	0.8
291.13361	3.8
293.15045	2.5
307.16653	2.9
309.17996	5.6
319.16727	1.6
321.14417	1.6
337.17484	8.5
352.18909	2.2
355.18668	3.4
373.17416	10.8
390.20209	1.0
391.18536	1.0
402.15759	1.1
408.21384	2.9
409.26917	1.1
419.18045	6.6
422.30426	1.0
433.11316	3.3
444.25082	2.7
445.20078	1.4
463.25644	1.2
472.24799	2.9
490.25595	17.7
490.32263	1.4
491.25375	0.8
515.28998	2.0
516.26953	4.5
518.24969	23.7
519.24426	0.9
543.28088	12.4
544.26624	7.2
547.26904	1.7
561.29083	72.7
562.30005	1.3
571.27423	9.8
589.28564	51.5
590.29431	1.1
606.46307	3.1
607.30225	3.5
607.45941	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	607.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91832	0.2
68.59972	0.2
72.82344	0.2
98.20671	0.4
170.09384	0.2
195.79741	0.2
205.30772	0.2
237.13867	0.2
286.12991	0.2
373.15030	0.2
387.16165	0.2
389.17606	1.0
390.19522	0.2
401.17752	0.7
402.18243	0.6
403.19223	1.8
404.19974	0.7
405.20587	0.9
415.19473	0.3
416.19861	0.8
417.16556	0.8
417.21274	2.8
418.21783	1.4
419.22244	2.5
429.16626	0.2
430.17755	0.7
430.22415	0.3
431.18161	6.7
432.18372	1.1
432.23886	0.4
433.24011	6.8
434.24567	0.9
444.18848	0.3
445.19699	7.2
446.20667	3.9
447.21625	4.2
449.23608	0.3
459.21484	3.9
460.22461	10.2
461.23303	11.6
471.17923	0.2
473.23587	3.2
474.24051	0.9
477.22763	0.8
486.45544	0.2
487.25018	1.9
488.25803	0.3
489.23035	0.4
491.20068	0.4
491.25003	0.3
492.25006	0.9
505.21686	3.1
506.26666	0.6
515.24359	0.8
518.23236	0.6
519.24084	1.8
532.24628	0.8
533.25690	0.6
546.22888	0.3
547.26965	34.5
548.27448	0.5
575.26141	1.0
578.24866	0.4
579.29547	0.8
607.29047	100.0
608.29498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07651	0.2
60.61560	0.2
63.67452	0.2
70.88356	0.5
83.62260	0.3
318.83826	0.2
376.17859	0.3
388.16650	0.4
389.17691	0.5
401.17715	0.5
402.18411	0.5
403.19260	2.3
404.19904	0.6
405.21048	1.1
415.19394	0.3
416.19952	0.8
417.16187	0.5
417.21280	2.6
418.16757	0.3
418.22012	1.3
419.22333	2.5
429.16830	0.4
430.17371	0.5
430.22256	0.4
431.18140	5.4
431.23441	0.4
432.18622	1.4
432.24316	0.4
433.23996	5.6
434.24683	0.9
444.18832	0.4
445.19736	6.4
446.20676	3.2
447.21591	3.0
449.23828	0.3
459.21378	3.9
460.22482	8.3
461.23285	7.3
462.23495	0.3
473.23666	2.3
474.24475	0.7
477.22934	0.6
487.25189	1.1
489.22571	0.3
491.25098	0.5
492.24988	0.6
503.20749	0.3
505.21533	2.0
506.26913	0.4
515.24689	0.2
518.22772	0.4
519.23993	1.2
519.27887	0.8
532.24841	0.6
533.25677	0.5
547.26996	25.4
548.27582	1.0
575.26740	0.5
578.25507	0.4
579.29169	0.5
607.29053	100.0
608.29529	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	607.2899
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
55.40046	0.3
57.69658	0.3
70.88072	0.9
86.65224	0.3
98.20687	0.3
111.49699	0.3
121.36751	0.3
127.93493	0.3
151.17134	0.3
179.30145	0.3
200.50005	0.3
249.10181	0.3
258.36743	0.4
387.15848	0.4
388.16925	0.4
389.17407	0.9
401.17682	0.6
402.18390	0.7
403.19165	2.3
404.19788	0.9
405.20813	1.2
416.19946	0.9
417.16064	0.6
417.21240	3.7
418.21719	1.8
419.22253	3.0
429.21295	0.4
430.17224	0.7
431.17996	6.5
431.23447	0.5
432.19177	1.0
432.23798	0.5
432.93866	0.3
433.24002	7.8
434.24725	0.7
445.19751	9.2
446.20679	3.1
447.21573	4.0
459.21255	4.5
460.22440	11.2
461.23254	15.0
473.23575	2.8
474.24219	0.5
477.22684	0.5
487.24976	1.6
488.25708	0.5
491.21280	0.5
492.25171	0.8
505.21701	2.0
506.26511	0.6
515.24243	0.7
517.22595	0.4
518.23004	0.3
519.27020	1.7
532.24561	0.9
547.26929	48.6
548.27264	0.7
575.26288	1.0
578.24988	0.4
579.29382	0.9
607.29004	100.0
608.29077	4.1
621.89722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2541
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
53.03941	0.5
55.01850	0.5
55.05502	1.5
57.03428	0.4
65.03915	0.2
67.05492	4.4
69.03427	1.1
69.07045	1.6
69.80878	0.9
69.81306	0.6
71.04987	0.6
79.05470	3.1
81.03401	3.5
81.07048	4.9
83.04975	0.8
83.08605	0.9
85.02897	0.8
85.06510	0.4
91.05466	1.9
93.07024	3.7
95.04964	0.6
95.08585	1.7
97.02893	0.9
97.06516	1.0
98.20728	0.3
105.07019	1.7
107.04940	0.5
107.08584	2.1
109.02883	0.4
109.06511	0.6
109.10131	1.2
111.04443	0.5
111.08090	0.3
117.07021	0.8
119.08548	1.3
121.06499	0.3
121.10143	1.0
123.11660	0.3
127.03904	0.3
129.06998	0.6
131.08533	1.1
133.10130	1.0
135.08022	0.4
135.11700	0.7
139.03889	1.3
143.08534	0.5
145.10123	0.6
147.04451	0.4
147.11673	0.9
149.13228	1.3
151.11098	0.3
157.10126	0.3
159.11719	1.0
161.13272	0.2
165.12758	0.2
169.10086	0.3
171.11713	0.5
173.11833	0.2
173.13266	0.4
177.12700	0.4
182.19443	0.3
184.07330	0.3
185.13170	0.3
195.13901	0.8
221.10857	0.3
223.12254	0.3
267.16006	0.2
269.17545	0.8
275.20142	0.4
277.21771	0.2
284.11487	0.2
287.05548	0.8
323.14117	0.2
326.16556	0.3
339.17938	0.4
373.14417	0.4
374.15280	0.4
375.16245	0.8
376.17111	0.4
377.19287	0.3
387.16168	0.5
388.17029	0.8
389.17590	2.0
390.18356	0.5
391.19229	1.0
395.20779	0.5
401.17773	0.6
402.18872	0.6
403.14740	0.5
403.19464	3.4
404.19974	1.9
405.20709	2.5
406.21402	0.4
416.16428	0.9
416.20834	0.4
417.17053	3.0
417.21045	2.2
418.17749	1.1
418.21957	0.8
419.22348	5.5
420.23047	1.3
430.17923	0.9
431.18240	7.4
432.19064	2.7
433.19968	3.3
434.20798	0.3
437.25549	0.6
444.19687	0.5
445.20129	4.7
445.30017	0.5
446.20975	6.8
447.21738	7.4
448.22360	0.5
449.19757	0.3
456.99338	0.3
459.17172	0.8
459.21939	1.7
460.19073	0.9
461.19336	1.7
462.24158	0.7
463.20358	0.4
463.25568	0.4
463.30762	0.6
473.19046	0.6
473.24069	0.7
474.20313	4.6
475.21021	5.0
477.23016	0.5
478.23615	0.7
487.21344	1.3
488.21701	0.3
490.24161	0.5
491.20212	2.9
501.23178	1.3
503.24329	0.5
504.21515	0.3
505.22467	0.7
506.23346	0.5
519.23993	16.9
520.24060	1.1
529.22321	0.5
547.23322	13.8
548.23724	0.7
551.26825	0.6
561.24463	0.4
575.22760	0.3
579.25916	6.2
580.25690	0.5
589.24585	0.5
607.25458	100.0
607.34143	6.0
608.25757	5.6
629.61285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01859	0.5
55.05494	0.6
57.03424	1.1
58.41903	0.4
65.03917	0.5
67.01859	7.8
67.05491	1.3
68.99773	3.6
69.03419	3.5
71.04980	31.0
73.02918	0.5
79.05480	0.9
81.03403	4.1
81.07031	1.5
83.01311	0.6
85.02890	5.3
85.06528	6.6
87.88377	0.4
88.60259	0.4
91.05482	2.0
93.07037	1.1
95.04936	2.7
95.08571	0.8
97.02869	4.7
99.04449	0.5
103.05431	0.4
103.07521	0.7
105.07008	0.9
107.04916	2.3
107.08577	0.8
109.02867	3.5
109.10144	0.9
111.00777	0.6
111.04422	0.5
113.05995	6.2
115.03907	0.7
119.04934	4.1
119.08583	1.0
121.02841	1.5
121.06488	3.4
121.10115	0.5
123.04446	1.9
123.08022	0.6
125.02325	1.2
125.09606	0.5
127.03900	3.3
127.07534	18.1
129.01808	2.1
131.07027	7.3
133.10104	0.8
135.08015	0.5
135.11597	0.5
141.05431	0.7
145.04935	1.5
145.08572	100.0
146.08879	0.7
147.04379	16.5
147.11693	0.7
151.03920	0.7
153.01801	91.3
154.02153	0.8
155.07002	1.2
163.03819	0.5
165.01837	0.7
167.03351	0.5
171.02858	63.0
172.03214	1.0
173.08076	1.2
175.03751	0.4
177.01820	2.0
177.05405	0.5
179.03384	3.2
183.02797	0.6
185.08003	0.4
187.03958	0.5
187.05908	0.6
191.03336	1.8
191.09137	3.2
195.02859	23.5
207.06447	0.5
215.03398	0.9
219.02832	3.6
221.08002	2.2
231.06441	1.0
243.02797	1.1
257.10150	2.0
261.03934	4.2
273.07523	97.0
274.07974	2.3
275.11160	1.5
279.04938	0.8
285.07635	0.5
287.05438	4.9
297.07684	5.3
299.11148	1.1
315.08557	12.9
315.12289	0.7
316.08832	0.6
317.12277	1.1
335.08969	0.6
335.12897	0.5
339.08542	4.7
344.63611	0.4
363.08539	2.0
381.09598	5.9
399.10593	1.9
417.11322	0.4
433.10898	0.8
469.13190	0.6
500.19159	0.4
571.17993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2542
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05452	0.8
57.07018	0.5
67.05488	1.7
68.05796	0.3
69.06993	0.6
69.48795	1.9
70.03614	0.2
70.55306	0.2
71.08557	0.4
74.01478	0.2
79.05482	1.4
81.03352	0.3
81.07047	1.9
83.04906	0.3
83.08541	0.3
85.06460	0.2
91.05460	1.4
93.07039	1.2
95.04881	0.3
95.08585	1.5
97.06458	0.3
97.10132	0.2
105.07014	1.8
106.06447	0.3
107.04877	0.4
107.08580	1.1
109.06462	0.4
109.10078	0.6
111.07998	0.2
117.06995	0.5
119.08489	0.9
120.08059	0.3
121.06386	0.2
121.10068	0.6
129.06944	0.2
131.08443	0.9
133.10120	1.2
135.11589	0.4
143.04221	0.2
143.08482	0.4
145.10031	0.9
147.11597	0.6
149.13261	0.3
157.10042	0.4
159.11598	0.4
169.09987	0.2
172.65115	0.2
178.20877	0.2
183.09229	0.2
183.11641	0.3
185.13199	0.3
207.09056	0.3
209.10626	0.3
219.08792	0.2
219.17296	0.4
220.09752	0.2
221.10677	0.3
223.12225	0.2
233.10858	0.3
246.92976	0.2
249.10309	0.2
251.11653	0.3
259.20349	0.3
272.12408	0.2
275.20090	1.3
287.05563	0.4
310.13470	0.3
314.27551	0.3
315.23392	0.5
373.14465	0.5
374.15115	0.4
375.15979	0.5
376.17374	0.3
386.16367	0.4
387.16101	0.7
388.16766	0.9
389.17554	2.9
390.18503	1.2
391.19098	0.7
401.17667	0.7
402.13983	0.5
402.18948	1.2
403.19403	5.3
404.19955	2.8
405.20847	2.5
406.21512	0.3
407.22363	0.3
415.19666	0.4
416.15527	1.3
416.20834	0.4
417.16953	3.5
417.20935	2.8
418.17261	0.7
418.22287	1.4
419.22336	8.0
420.22827	0.7
429.16464	0.4
429.21317	0.4
430.17108	1.2
431.18295	8.6
432.19006	2.9
433.19943	2.9
434.20898	0.4
441.16916	0.3
443.18591	0.8
444.19342	0.5
445.20200	7.0
446.20883	6.7
447.21677	10.1
448.22256	0.9
458.21286	0.3
459.17709	1.5
459.22095	1.4
460.18091	0.6
460.23410	0.4
461.19330	2.0
462.24496	0.4
463.25739	1.4
473.18289	1.0
474.20380	8.9
475.21112	11.5
476.21744	1.1
477.22836	0.8
478.23666	0.4
487.21280	2.2
488.21939	0.9
489.19028	0.4
490.23944	1.4
491.20633	1.0
491.24179	1.3
501.22946	1.5
503.24417	0.4
504.21194	0.5
505.22272	0.8
506.22751	0.5
518.23297	0.4
519.24011	13.3
520.24115	0.7
529.22339	0.3
532.21075	0.7
547.23334	57.5
548.23743	3.8
551.26459	0.4
561.24976	1.3
575.22601	0.4
579.25989	4.1
588.46747	0.3
589.24475	0.8
606.47339	0.3
607.25415	100.0
607.42657	2.3
608.25757	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2536
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
149.47255	0.3
181.44475	0.3
222.11484	0.3
297.12506	0.3
312.15024	0.5
374.15121	0.4
375.15866	0.5
387.16147	0.6
388.16699	0.8
389.17395	2.1
390.18289	1.2
391.19247	0.8
401.17755	0.5
402.18457	0.9
403.14618	0.5
403.19489	3.2
404.19901	1.9
405.20776	2.3
406.21439	0.4
416.16360	0.8
417.16284	3.9
417.21112	1.7
418.17371	0.9
418.21704	0.8
419.17700	0.6
419.22430	6.1
420.23068	0.9
430.17853	0.8
431.18213	6.9
432.18933	3.0
433.19806	3.4
445.20169	5.0
446.20938	6.8
447.21719	7.6
448.22186	0.9
459.12073	0.4
459.17230	0.8
459.21890	1.5
460.18320	0.6
461.19128	1.7
462.24268	0.7
463.25458	0.6
473.19373	0.9
473.24554	0.4
474.20239	4.1
475.21115	6.0
476.21634	1.0
477.22794	1.0
478.23703	0.7
479.23502	0.4
487.21146	1.3
490.23892	0.5
491.19995	2.7
501.23044	1.3
502.23367	0.4
503.24313	0.4
505.22186	0.8
506.22903	0.7
519.23956	17.9
520.24500	1.3
529.22296	0.4
547.23279	13.9
548.23627	1.7
551.26398	0.4
579.25885	6.1
580.26556	0.6
589.24072	0.5
607.25385	100.0
608.25684	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	607.1647
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside
Peak:m/z	Relative Intensity
53.03939	0.3
53.56042	0.3
55.01860	0.3
57.03422	0.9
61.26616	0.2
69.03420	9.3
69.64991	1.7
71.01327	0.5
71.04981	0.9
73.02911	0.5
83.04969	1.8
84.91838	0.3
85.02892	100.0
86.03214	0.3
97.02879	15.5
111.00767	0.4
111.04433	1.5
115.03914	9.4
121.02832	0.7
127.03896	17.5
129.05476	3.5
147.04381	0.3
153.01823	1.1
157.04974	0.3
165.01790	0.6
175.05995	35.0
183.02893	0.4
189.07610	1.4
213.05472	0.5
241.04787	0.3
258.05344	0.4
287.05453	52.1
288.05881	0.9
299.04996	0.2
315.45441	0.3
386.57098	0.3
419.09634	2.9
433.11288	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1647
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside
Peak:m/z	Relative Intensity
53.03938	0.1
53.44823	0.1
55.01868	0.3
57.03426	0.6
61.02919	0.2
68.99792	0.2
69.03418	15.1
71.01336	0.2
71.04978	0.6
71.21622	0.2
79.05430	0.1
83.04956	0.1
85.02892	4.6
87.04465	0.4
97.02876	11.7
101.76005	0.1
105.03407	0.2
107.04952	0.1
108.06093	0.1
111.00790	0.4
111.04467	0.1
115.03910	8.4
121.02843	1.6
129.05479	0.3
133.02827	0.2
137.02333	0.4
137.68343	0.1
145.06430	0.1
147.04373	0.2
153.01799	2.2
153.02972	0.2
157.04947	0.9
157.06335	0.2
161.05876	0.1
165.01811	1.1
169.06548	0.1
171.04343	0.1
175.05998	4.9
183.02873	0.6
185.05957	0.3
189.05421	0.1
197.06032	0.1
203.07185	0.1
206.50983	0.1
208.26462	0.1
213.05388	0.8
231.06523	0.4
241.04922	0.7
258.05225	0.8
259.06003	0.2
287.05447	100.0
288.05753	1.1
299.05566	0.2
365.06448	0.1
383.07614	0.1
433.11237	6.7
434.11099	0.1
461.10568	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65584	1.2
53.03933	4.6
55.01874	2.6
55.05502	11.0
55.08028	1.3
56.18245	1.1
57.03441	2.2
67.05495	31.6
67.08846	1.2
69.03407	1.5
69.07061	10.2
71.04982	3.3
71.08627	1.3
71.63179	1.5
71.63532	1.3
79.05484	34.7
81.03401	3.4
81.07044	33.8
83.04986	7.2
83.08602	4.8
85.06503	2.9
86.20840	1.4
91.05461	35.6
93.07030	30.3
95.04951	9.2
95.08591	17.6
97.06523	5.2
97.10176	2.7
105.04552	1.3
105.07014	32.5
105.07671	2.7
107.04935	5.9
107.08590	19.8
109.06493	4.6
109.10143	17.0
117.07011	8.2
119.08578	17.3
121.06486	4.4
121.10139	5.0
123.08057	3.7
123.11700	3.8
128.06213	1.8
129.06973	5.1
131.08527	8.4
133.06447	4.0
133.10106	26.1
135.07983	2.1
135.11674	3.6
143.08577	6.8
145.10114	10.5
147.07988	1.7
147.11649	14.4
149.09633	3.3
151.11153	8.8
157.10129	2.1
159.11684	4.3
161.09633	3.4
161.13255	4.9
169.10127	1.7
169.12181	1.6
171.10416	1.6
171.11641	7.8
175.11087	1.7
179.14272	2.1
189.12706	6.6
201.16464	1.4
207.13788	10.9
215.12689	1.6
227.17870	1.7
245.18916	1.7
251.12537	2.6
253.14331	34.0
255.17366	1.4
259.20575	1.7
273.18484	12.1
275.19980	9.5
281.17435	15.9
282.95984	1.4
287.05606	1.5
291.19522	14.7
294.82297	1.4
315.23123	2.1
345.21600	1.6
347.22174	4.4
349.23889	1.4
365.23160	10.6
389.17404	1.9
403.19055	4.7
404.20053	3.2
405.20627	2.8
417.20862	4.0
418.21555	2.8
419.22211	7.2
430.17117	1.7
431.18030	8.3
433.24219	11.9
445.19885	11.9
446.20853	7.3
447.21683	7.6
459.21710	7.5
460.22449	13.2
461.23425	17.6
473.23129	4.3
474.19965	3.0
475.21100	3.3
477.28647	8.4
487.24808	1.9
519.23315	8.9
547.27625	43.2
553.35291	3.8
571.36121	24.5
575.27167	1.6
579.29688	1.6
588.46674	1.8
597.42603	1.4
606.27454	1.6
607.29138	100.0
607.42889	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	606.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.9
55.01857	5.5
55.05503	25.4
57.03410	6.2
67.05497	42.5
69.03416	7.6
69.07055	24.2
71.04980	2.2
71.62845	2.9
78.44147	1.3
79.05483	50.3
81.03423	9.7
81.07046	37.0
83.04960	14.0
83.08601	9.4
91.05467	38.4
93.07030	40.0
95.04955	14.6
95.08604	21.4
97.02878	5.6
97.06503	5.3
97.10169	10.2
99.08085	1.9
102.16349	1.4
105.07021	36.2
107.04941	7.7
107.08594	18.9
109.06500	5.4
109.10164	9.0
109.65508	1.4
111.08044	2.3
115.05421	2.1
117.06982	7.3
119.08562	22.2
121.06467	4.8
121.10116	5.6
123.08043	5.8
123.11674	1.6
125.09601	7.8
128.06248	2.9
129.06990	14.6
131.08554	11.5
133.06406	2.7
133.10100	9.5
135.08047	3.5
135.11700	3.7
137.09581	3.5
143.08542	7.4
143.99229	1.4
145.10095	13.1
147.08044	5.1
147.11673	22.5
157.10077	4.4
159.11642	3.1
161.09641	4.0
161.13255	8.2
169.12238	1.7
171.11646	15.4
173.13274	1.7
175.11168	2.8
185.13110	1.8
187.11205	1.7
189.11154	4.6
189.12746	5.9
207.13750	15.3
223.13235	13.3
227.12790	5.0
249.14886	3.2
255.50378	1.5
273.18292	13.5
275.19922	3.2
281.17444	52.9
291.19501	88.2
292.19742	2.6
295.37326	1.5
297.17007	2.7
347.21976	2.0
365.19153	1.2
365.23148	33.9
391.83493	1.6
473.28632	2.0
553.35352	3.6
571.36194	100.0
572.36572	4.9
606.24872	2.4
606.41528	3.3
607.25153	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	607.1644
Annotation	Kaempferol 3-(3''-acetyl-alpha-L-arabinofuranoside)-7-rhamnoside
Peak:m/z	Relative Intensity
53.79016	0.1
55.01863	5.7
57.03428	1.5
59.04981	0.1
61.02925	1.0
62.02618	0.2
69.03075	0.2
69.03419	3.0
70.90837	0.3
71.01337	0.4
71.04966	0.5
73.02893	0.2
78.59560	0.2
85.02892	3.2
87.04436	0.6
94.11445	0.1
97.02876	5.1
107.04880	0.1
111.00780	0.3
115.03909	10.6
121.02863	1.2
127.03845	0.2
129.99820	0.2
133.02817	0.3
137.02321	0.2
153.01802	1.5
157.04919	0.2
162.30672	0.1
165.01799	0.9
175.05995	3.4
183.02847	0.5
183.04382	0.1
213.05406	0.5
231.06610	0.2
241.04912	0.5
258.05206	0.5
259.05972	0.2
260.14636	0.1
269.04330	0.2
287.05447	100.0
288.05759	0.6
329.06171	0.2
332.50519	0.1
365.06476	0.2
414.70657	0.2
433.11252	7.5
435.92117	0.2
438.82553	0.2
461.10483	0.2
482.61081	0.2
535.21674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01855	1.1
55.05258	0.7
55.05502	10.4
57.03434	1.3
57.07049	0.8
61.74496	0.7
67.05161	1.0
67.05496	13.6
69.03416	4.7
69.07049	2.7
70.28569	2.1
71.04986	1.5
72.23112	0.7
79.05489	3.8
81.03406	12.9
81.07044	12.6
83.04970	7.4
83.08603	8.2
85.02908	3.6
85.06487	0.7
91.05453	3.4
93.07025	6.8
95.04964	10.4
95.08599	9.6
97.02882	4.0
97.06510	3.0
97.10146	1.6
99.04421	5.2
99.08088	1.2
105.07018	5.4
106.30524	0.7
107.08584	9.9
109.02868	13.3
109.06510	6.5
109.10144	39.7
111.04474	1.0
111.08061	2.3
113.05992	0.7
113.09608	0.7
115.03900	0.8
119.04895	1.0
119.08545	4.7
121.02862	0.6
121.06403	0.9
121.10118	6.3
123.04354	0.9
123.08040	1.7
123.11706	3.5
125.05967	1.9
125.09599	2.3
127.03893	7.2
131.08537	3.4
133.10123	10.6
135.08051	2.1
135.11632	1.1
137.09598	80.1
138.09933	0.7
139.11148	1.0
143.08551	1.0
145.02856	0.7
145.10112	2.0
147.04385	2.0
147.08043	0.8
147.11671	2.5
149.09619	1.0
149.13278	3.9
151.11169	11.2
153.01793	1.4
153.09070	3.3
155.10651	5.4
158.10886	1.4
162.05505	1.0
163.11234	0.8
165.09094	67.0
166.09436	1.4
167.12982	1.1
167.14299	13.9
169.78961	0.7
173.13210	6.4
175.14740	1.0
183.10175	6.3
190.04933	1.4
191.14287	8.3
201.11191	7.6
209.15344	100.0
210.15741	0.9
227.16351	1.1
263.12704	0.7
287.05460	8.5
287.69028	0.8
291.12198	5.9
309.13300	44.1
327.14313	11.5
345.15445	3.4
433.10947	1.2
535.28583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59362	0.3
55.05494	0.7
57.07066	1.0
61.94299	0.3
63.31453	0.3
67.05485	1.6
69.07053	0.6
71.08617	0.8
71.63201	0.5
79.05484	0.9
81.07044	1.9
83.08620	0.7
85.10186	0.5
87.04459	0.4
88.35489	0.3
91.05469	0.9
93.07022	0.7
95.04937	0.4
95.08592	1.6
97.06509	0.3
105.07017	1.0
107.04916	0.4
107.08621	0.9
107.17400	0.3
109.06505	0.4
109.10156	1.1
119.08593	0.4
121.10117	0.5
123.11732	0.3
131.08569	0.4
133.10156	0.5
145.10136	0.4
149.09659	0.5
159.11740	0.3
160.71049	0.3
177.12766	0.6
197.58612	0.3
275.20056	1.5
313.27368	0.8
349.23697	0.7
359.41559	0.3
401.17978	0.6
404.21341	0.3
413.17981	0.4
414.18265	1.2
415.19241	3.3
416.20267	1.5
417.20941	0.4
428.19910	0.9
429.20877	6.3
430.21585	3.3
431.22189	1.0
433.23941	0.4
442.21970	0.5
443.22488	3.2
444.23450	5.8
445.24280	3.5
448.26340	0.8
457.20111	1.6
457.25012	0.8
458.25598	1.6
459.21402	2.0
459.25775	2.1
470.21140	0.7
471.21512	0.6
472.22418	3.0
473.23410	4.8
474.24072	1.4
476.21970	0.4
485.23450	2.9
486.24182	1.5
487.24930	16.2
488.26309	1.5
489.22601	0.5
500.22009	0.4
501.23248	0.4
503.24673	2.3
504.25238	0.5
507.40353	0.7
517.26263	2.5
518.23401	0.7
531.23920	0.7
532.24603	0.4
545.25427	16.1
546.26202	3.7
573.24530	1.0
587.46655	0.6
605.27515	100.0
606.27869	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	605.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61818	0.7
58.99821	0.9
61.02888	1.1
68.29194	0.6
69.03371	2.6
70.13745	1.8
70.14161	1.9
73.02873	0.7
77.00856	1.6
79.93006	0.5
81.03377	1.6
82.99825	1.4
85.02892	7.3
95.01896	0.8
96.11633	0.6
97.02881	4.7
98.97523	1.9
101.00845	7.4
105.00349	0.7
109.02818	0.7
113.00836	1.0
115.02412	3.1
115.03099	0.6
116.98583	0.8
118.01051	0.9
119.01900	27.7
119.04961	0.9
120.01976	0.7
121.01610	1.3
121.02821	4.0
121.06425	1.7
123.04388	0.9
127.02420	0.9
127.03856	2.9
129.03911	1.6
131.01880	15.0
131.05563	4.7
132.01973	0.7
133.03430	5.4
134.99634	0.7
137.00746	0.9
137.02934	4.2
137.05898	2.2
143.01877	47.3
144.01956	1.9
145.01593	1.6
145.03395	8.6
145.04875	2.6
147.01332	1.8
147.04149	0.8
147.04961	2.8
149.02892	2.6
149.06584	9.7
155.01874	19.9
155.05492	1.1
156.02591	2.6
157.03471	4.9
159.04987	3.7
161.02928	71.3
162.03046	2.3
163.02634	2.0
163.03902	3.3
167.05515	1.4
167.06964	2.0
169.03403	1.3
169.07004	0.7
171.05026	3.4
173.02946	24.1
173.06567	27.6
174.06645	1.1
175.04514	4.2
175.08055	0.8
177.00674	0.9
177.06085	5.6
179.04042	0.7
181.08540	0.9
183.04984	0.7
184.04501	2.7
185.03041	3.4
185.06561	32.2
186.06761	0.8
187.04500	1.7
187.08153	7.1
189.05972	1.4
190.04919	0.8
191.05859	1.1
191.07610	11.2
196.04539	1.1
196.08054	1.0
197.02939	1.1
197.06491	2.5
199.04494	1.7
199.08093	2.5
201.06036	2.5
203.02324	0.9
203.04005	7.3
203.07602	21.7
205.03610	1.6
205.05412	0.8
205.09149	2.1
209.06476	1.2
213.05928	0.7
215.04227	0.8
215.07613	13.9
217.09148	2.1
219.07152	0.8
221.05017	25.6
222.05211	0.9
223.04524	3.5
225.06046	1.4
226.09207	1.3
227.07483	5.1
233.08650	5.6
235.04527	4.3
237.02672	1.1
237.06070	1.5
241.05463	1.2
244.04239	1.3
244.06630	1.1
245.04913	1.7
247.04376	3.8
249.06006	1.3
251.03957	1.4
253.05441	0.8
257.08731	5.3
263.03992	2.9
265.05386	3.1
267.03363	1.5
269.05130	1.7
273.08185	1.6
275.03799	3.3
275.09726	39.2
276.10007	1.1
277.05502	1.4
281.05005	3.8
281.08694	1.0
283.06604	1.3
293.05118	6.4
293.10754	91.9
294.11063	3.0
305.04965	1.2
305.10825	1.0
309.08600	1.2
311.06311	3.2
316.12381	3.8
319.12344	1.4
319.30887	0.7
323.05960	1.1
333.10489	0.8
335.11877	1.4
347.12003	1.1
348.06772	0.7
351.09573	0.7
353.07135	2.4
367.10620	1.1
371.08212	1.5
372.67346	0.6
381.10956	0.7
384.07767	0.7
389.09329	1.9
413.12622	1.0
423.13333	5.0
425.12851	1.7
437.15088	7.3
443.14035	4.7
457.11661	6.1
528.02155	0.7
587.17834	2.0
605.19159	100.0
606.19470	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	605.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04278	1.7
53.03938	7.3
55.01870	17.2
55.05503	35.6
55.53036	1.8
57.03418	10.9
57.07066	56.6
60.50958	1.8
65.03938	3.3
67.05494	67.8
69.03419	4.7
69.07060	33.6
69.54572	4.3
69.54968	16.6
71.04990	5.0
71.08621	38.8
71.08994	3.4
78.80881	1.9
79.05481	48.5
81.03419	5.0
81.07045	100.0
83.04960	9.9
83.08601	27.7
85.06539	3.6
85.10165	19.3
85.10570	1.8
91.04942	4.3
91.05466	38.8
91.05991	2.9
93.07035	43.0
95.04955	10.8
95.08598	64.3
97.06521	20.3
97.10140	15.5
103.05486	3.0
105.07014	55.8
105.07648	3.9
107.04933	18.7
107.08580	50.6
107.09274	3.2
109.06506	11.4
109.10135	30.2
109.10779	2.3
111.04491	2.4
111.08064	2.3
117.07021	13.1
118.12666	2.3
119.08566	34.9
121.06525	6.2
121.10145	15.0
123.08101	6.5
123.11695	15.0
125.09620	11.6
129.07037	7.6
131.08540	17.0
133.10114	24.0
135.07997	4.3
135.11728	7.0
137.09610	3.2
143.08588	5.6
145.10086	22.1
147.11674	24.6
149.09595	23.9
149.13313	5.2
155.08591	2.6
157.10141	4.1
159.11696	13.9
161.13297	7.5
163.11140	13.4
165.12688	3.6
169.10217	3.1
171.11708	6.3
173.13304	5.9
175.11168	2.2
177.12796	5.7
183.11707	2.7
185.13260	3.2
187.11224	3.3
187.14877	3.3
189.11267	6.4
189.12782	3.6
193.12288	2.6
197.13322	3.5
227.12772	20.4
229.19580	4.8
239.18007	4.8
239.23839	8.3
247.20731	3.5
257.18976	14.0
257.24838	3.8
275.20038	95.8
281.05545	2.0
293.21094	10.5
304.78741	2.1
313.27316	71.5
331.22766	4.8
335.37082	2.2
341.02670	2.3
349.23672	50.9
458.21310	2.1
507.40973	2.7
517.59332	2.2
521.48761	2.3
587.46741	60.2
605.26337	2.6
605.47998	68.2
606.25177	3.2
606.48163	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	603.3152
Annotation	trapoxin A
Peak:m/z	Relative Intensity
50.00105	1.5
51.02368	1.2
53.03945	6.4
55.01868	9.7
55.05252	2.3
55.05503	31.3
55.05774	1.9
57.03430	13.1
61.91770	1.4
67.05495	39.6
67.68491	1.2
69.03425	12.0
69.07065	12.2
71.01343	2.0
71.04990	7.5
79.05482	41.5
81.03406	70.7
81.07047	41.5
82.79517	1.2
83.04974	20.4
83.08609	26.8
85.02892	29.1
85.06538	2.5
91.05466	47.6
93.03401	1.7
93.07031	29.8
95.01365	2.2
95.04346	2.9
95.04954	57.2
95.08588	16.5
97.02899	8.2
97.06524	6.1
97.10153	12.7
99.04440	3.6
99.08154	2.3
103.05432	6.7
105.03415	2.6
105.07011	37.3
107.04940	17.4
107.08583	16.4
109.02859	20.6
109.06503	9.4
109.10172	6.8
111.04415	13.2
111.08083	9.6
113.05979	3.2
115.05431	11.3
117.07004	17.0
119.04910	6.6
119.08559	24.7
121.02858	7.1
121.06487	13.7
121.10126	13.1
123.04394	6.4
123.08056	6.7
123.11669	3.3
125.06039	1.5
125.09624	11.2
127.03909	4.3
128.06201	4.4
129.05482	2.2
129.06985	23.2
131.04912	14.8
131.08540	18.5
133.06473	14.9
133.10120	14.5
135.04433	3.7
135.07988	6.3
135.11694	6.8
137.02330	6.9
137.05984	5.0
137.09633	2.4
141.07002	4.6
142.07791	3.7
143.04930	1.7
143.08545	9.8
145.06471	19.2
145.10085	12.8
147.04372	12.2
147.08037	7.9
147.11667	11.3
149.05974	7.6
149.09599	8.1
151.03856	2.7
151.07568	2.4
153.01872	3.5
153.06995	2.2
153.09087	1.9
153.12730	3.5
154.07785	1.9
155.08537	6.4
157.06471	7.8
157.10100	13.5
159.04446	4.1
159.08032	8.8
159.11676	3.4
160.05243	4.6
161.05962	23.1
161.09631	5.5
163.11176	11.0
165.05453	1.8
165.09148	1.7
165.12700	2.9
167.08569	4.0
169.06491	2.9
169.10152	4.9
171.04402	2.7
171.07994	6.5
171.11667	2.9
172.08713	1.4
173.05954	27.9
173.09636	5.8
174.06740	6.8
175.03946	3.0
175.07542	7.6
175.11147	11.5
177.05428	2.7
177.12621	1.8
181.10248	2.8
181.12221	7.0
183.08125	4.0
185.05995	3.5
185.09535	2.6
185.13293	1.6
186.06781	2.9
187.07492	14.8
187.11151	3.5
189.05449	25.9
189.09106	3.1
189.11212	5.8
191.07001	2.6
191.08780	1.3
191.10690	5.5
193.10345	2.9
193.12195	27.4
195.08017	3.0
195.11661	2.3
197.09578	2.4
199.07513	4.3
199.11327	1.9
201.05453	1.7
201.09149	3.9
201.12708	2.4
203.06979	2.6
203.10681	2.7
205.10307	1.6
205.12204	3.0
209.09676	1.8
209.11615	2.1
209.13333	3.2
211.07645	1.7
211.11273	3.2
211.13261	36.4
211.15178	2.3
213.09206	2.9
213.12856	2.4
215.07088	1.7
215.10866	1.4
215.14417	2.0
219.11845	2.6
223.11258	2.4
223.13255	1.5
227.12755	5.6
227.14662	2.1
229.12280	2.3
231.13820	2.0
237.12785	3.9
241.12369	2.3
245.15645	2.1
247.13338	2.9
255.13751	11.3
257.15390	5.5
259.13171	2.0
265.12085	2.1
267.15924	10.7
271.13330	2.6
273.07507	2.0
273.14807	22.9
283.13010	13.1
285.14697	9.2
285.17365	21.1
289.14319	8.9
291.15948	4.2
297.14728	1.6
301.14282	93.2
303.15912	8.0
311.16760	1.9
319.15396	13.4
323.16455	2.5
339.15811	1.6
341.17465	4.1
343.15332	1.6
357.16992	5.5
359.18524	3.7
367.22388	1.7
375.17950	19.3
377.19901	1.6
385.23752	2.3
393.19043	7.4
399.10834	1.6
415.10449	2.3
447.25287	2.2
459.27267	5.2
475.24664	3.2
477.28452	3.7
483.27786	2.2
493.25711	4.8
503.26376	1.7
511.26813	5.6
525.27997	1.9
529.27649	2.7
539.30115	3.4
543.29437	3.5
555.29657	3.2
557.31232	3.8
567.29358	14.8
573.30670	23.6
573.39209	1.0
585.30518	86.7
586.31122	1.7
588.60681	1.5
603.31561	100.0
604.31818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	0.7
59.34315	0.4
61.02913	1.1
69.03396	1.5
71.61707	0.9
73.02908	0.6
74.98534	0.5
77.00896	0.7
81.03392	1.2
82.99861	1.7
84.21352	0.5
85.02882	4.7
85.06544	0.6
86.62006	0.4
89.00049	0.5
91.05457	0.6
95.01886	0.5
95.05679	0.5
96.50655	0.5
97.02879	2.3
98.97561	1.5
101.00846	5.6
103.02412	0.7
106.08480	0.5
107.04973	0.7
109.02896	0.7
114.86408	0.5
116.98590	1.1
118.51690	0.6
119.01897	22.3
119.04883	0.7
120.01913	0.7
121.01627	0.8
121.02844	2.1
121.06478	2.2
123.04409	0.6
127.03894	1.9
131.01891	3.5
131.04782	0.6
133.03436	1.4
137.02950	3.4
137.05966	1.5
138.09056	0.6
142.03470	1.1
143.01872	67.2
144.01962	1.4
145.01643	1.2
145.03546	2.3
145.04933	2.1
147.04379	1.7
149.02940	0.9
155.01866	3.8
156.02690	0.9
157.03473	1.6
158.99605	0.6
160.07545	6.3
161.02928	100.0
162.03067	2.1
162.05508	1.1
163.02594	0.8
163.03876	2.1
167.06995	2.1
171.05014	0.7
173.02904	4.5
175.02614	0.5
175.04480	0.6
177.00691	1.1
177.02449	0.7
177.10262	0.8
179.01974	0.5
179.03954	0.9
181.08519	1.1
183.05037	0.6
184.04529	6.1
185.02950	1.8
185.06615	3.1
191.08131	0.6
195.01381	0.9
197.02922	2.5
197.06471	2.8
201.06180	0.5
203.03969	39.3
204.04111	0.6
205.03786	0.6
209.06493	0.8
209.08237	0.5
211.04561	0.7
212.55411	0.5
213.02393	4.0
215.03958	0.6
215.07616	1.4
219.01709	1.1
221.03043	0.6
221.05000	8.4
221.06920	0.5
223.00835	0.8
223.06517	0.8
227.03981	0.7
227.07539	2.8
231.03438	1.7
234.98972	1.0
235.04533	0.6
237.02522	2.9
237.06110	0.6
239.04155	1.0
239.07602	0.7
244.06712	1.0
245.04990	1.7
249.02463	1.6
251.03889	1.1
252.99991	0.6
253.05513	0.7
255.03502	8.1
257.05011	0.7
263.03906	2.1
267.03464	3.2
273.08139	0.8
279.03442	1.6
281.05154	2.3
285.04544	0.9
287.09705	26.1
288.09705	0.7
291.03629	0.8
297.04462	3.0
305.10779	4.7
321.04391	1.6
321.08170	0.7
333.10355	0.8
336.92517	0.6
339.05515	17.4
347.08383	0.5
357.06534	9.1
367.10623	0.6
375.07248	0.6
380.08377	0.6
393.08514	3.9
399.07874	2.1
417.08691	6.1
423.11847	1.0
435.09799	2.1
441.12415	5.7
457.12225	0.7
501.10754	0.8
603.17596	44.9
604.17609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01434	0.5
59.15449	0.5
67.58834	0.6
69.03417	1.0
69.91689	1.3
69.92104	1.6
74.90769	0.5
78.04694	1.5
79.05492	2.8
83.57674	0.5
85.02900	2.5
88.44244	0.5
91.05459	1.6
93.07030	0.8
95.04941	1.1
97.02831	0.8
103.05451	2.6
105.07027	4.3
107.04384	0.6
107.04954	6.5
109.06490	0.8
111.04412	0.7
115.05470	1.4
117.07001	0.8
119.04945	0.9
121.02819	0.9
121.06487	2.4
123.04396	4.4
123.08091	0.7
124.05150	3.1
127.03880	0.6
131.04909	5.6
131.08563	1.0
133.06441	5.0
134.03566	0.5
135.08028	2.0
137.05983	3.1
137.09549	0.8
145.06451	3.4
147.04369	1.5
149.05946	0.9
151.03888	0.7
151.07513	3.6
152.04636	2.2
153.05434	0.8
156.05702	0.6
158.07253	0.8
159.08043	1.7
161.05977	6.0
162.07576	0.6
163.07524	12.5
165.09079	0.8
167.07018	100.0
168.07399	0.7
169.06459	0.5
173.05983	1.1
173.09595	1.5
173.88641	0.5
175.07526	1.5
177.09079	2.0
179.07025	3.2
181.08501	3.8
187.07449	3.1
189.09094	0.9
192.07771	0.9
193.08577	14.5
195.10132	0.5
201.09064	1.7
205.08585	1.6
207.10201	0.6
217.08691	0.7
219.10144	2.3
225.07545	1.2
233.11739	2.7
237.11189	3.6
237.56169	0.6
249.11119	1.0
251.12578	2.0
263.10617	0.6
285.21542	0.6
291.10031	0.8
292.74554	0.7
295.12927	0.6
323.12811	1.9
355.15372	13.4
361.64127	0.6
387.17975	14.1
405.19034	38.9
406.19250	1.4
423.20081	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	11.3
55.01853	8.5
55.05502	33.2
57.03425	18.7
59.04976	4.8
65.03934	5.9
67.05495	100.0
69.03425	25.2
69.07072	14.5
69.32428	6.9
69.32841	26.2
71.01325	3.1
71.04975	11.3
73.02900	2.9
77.28185	2.8
79.05482	34.7
81.03408	93.2
81.07040	44.2
81.60798	2.9
83.04969	53.7
83.08607	25.8
85.02901	27.2
85.06515	7.2
86.94112	2.9
91.05469	34.8
93.07025	35.9
93.54570	2.7
95.04965	34.0
95.08604	18.1
95.14973	2.6
97.02860	15.1
97.06508	8.9
97.10170	20.3
99.04430	7.8
105.07021	29.8
107.04896	7.4
107.08573	14.0
109.02858	11.3
109.06491	9.8
109.10142	66.3
111.04436	20.8
111.08058	12.1
117.06957	5.6
119.08555	31.0
121.06448	7.9
121.10121	15.2
123.04430	6.1
123.07977	4.3
124.77483	2.8
125.09576	13.4
127.03899	12.2
128.06157	2.9
129.05461	23.9
129.06978	11.7
131.08556	18.5
133.06502	4.3
133.10098	14.2
135.08037	7.1
135.11659	3.8
137.09662	5.5
141.07068	3.4
143.08510	5.6
145.06502	3.0
145.10083	9.7
147.04410	5.4
147.07990	3.8
147.11661	20.4
149.09665	6.2
157.10092	17.4
159.11655	5.4
161.09613	4.2
161.13318	4.7
163.11139	6.1
173.11746	25.9
175.11142	14.2
189.11201	12.5
193.12241	40.4
196.90706	3.1
211.13258	62.3
213.12416	3.3
227.12784	10.5
229.14244	26.1
267.15924	16.8
275.20041	5.6
285.16910	34.9
299.14853	14.2
309.16812	3.0
349.23611	4.9
355.17401	9.2
373.18356	28.0
411.20074	3.8
412.88840	3.2
421.25757	14.3
429.21298	4.4
439.26886	51.4
503.33478	7.2
505.14844	3.2
529.27863	3.3
547.28809	4.1
565.29810	7.6
583.30865	76.9
601.31464	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	601.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.3
55.01857	7.1
55.05502	12.3
57.03431	10.7
59.04969	3.0
65.03916	4.4
66.80811	2.2
67.01864	9.3
67.05498	30.8
68.99781	5.1
69.03423	19.2
69.07058	12.2
71.04987	6.7
71.62502	3.6
73.02900	2.3
75.04465	5.5
77.61797	2.2
79.05484	29.4
81.03414	29.8
81.07049	21.0
83.04965	13.3
83.08607	8.1
85.02890	25.9
91.05473	29.4
93.07033	93.8
93.07620	4.7
95.04959	19.5
95.08597	24.1
97.02866	12.9
97.06517	5.9
97.10170	2.9
98.73688	2.3
99.04433	5.7
103.57825	2.2
103.92610	2.3
105.07023	25.6
107.04963	9.8
107.08575	21.3
109.02856	11.7
109.06503	7.7
109.10146	29.1
111.04436	6.6
111.08067	9.1
111.11687	2.6
117.06984	3.3
119.04953	10.4
119.08564	22.8
121.02816	5.6
121.06523	16.8
121.10130	89.1
123.04420	8.0
123.08042	5.1
123.11667	4.1
123.63017	2.3
125.09625	7.3
127.03901	7.5
129.05473	4.0
129.06999	4.8
131.04887	5.2
131.08575	10.6
133.10118	9.3
135.08040	4.0
135.11722	6.0
137.02254	2.3
137.09555	10.9
138.09946	2.4
139.03903	7.5
139.11154	42.1
141.01846	4.2
143.08536	4.0
145.06378	2.5
145.10097	12.1
147.04407	40.4
147.11668	6.6
149.02330	4.7
149.09592	21.8
151.03900	5.4
153.01807	88.0
155.10622	2.8
157.06456	2.4
157.10126	5.5
159.11690	4.1
161.05997	3.1
161.09625	2.7
163.03908	6.2
163.11252	3.1
165.01805	46.0
165.09109	11.8
166.09433	3.2
167.03407	2.7
167.10664	12.7
171.02875	66.4
173.05954	3.1
173.11769	5.1
175.11269	2.8
177.01807	5.5
179.03418	7.2
183.02849	48.6
185.09662	2.4
189.01831	3.8
189.05537	3.0
191.03397	9.5
193.12265	4.1
195.02876	45.2
199.11064	2.3
205.04890	4.1
207.02881	7.8
211.13321	9.5
213.07469	2.3
215.03418	6.4
219.02863	8.6
220.03207	3.6
227.12703	3.3
229.14185	10.8
231.02574	2.7
243.02904	5.6
249.03912	3.8
261.03940	15.4
262.04437	2.4
273.04276	5.8
273.07523	100.0
279.05109	5.6
285.07529	61.0
285.17053	3.5
293.13925	4.1
297.07544	8.7
299.05188	2.5
299.08331	2.9
301.10812	4.1
301.14252	3.8
309.07547	8.5
311.14798	6.5
315.08578	13.5
323.73135	2.5
325.10767	4.1
327.08691	4.3
339.08432	6.7
341.09378	2.9
351.08609	3.1
360.32809	2.6
363.08591	10.2
364.09076	4.1
365.09317	3.5
381.09692	13.5
382.09830	3.2
383.10028	5.5
393.09561	6.4
393.17203	5.2
409.12573	2.8
427.13760	6.1
439.26764	9.7
445.14706	4.4
529.18396	4.8
583.30627	14.6
601.30457	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	601.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51420	1.1
53.03920	2.0
55.01854	1.7
55.05514	9.5
57.03427	1.9
57.07066	5.8
59.04977	3.4
60.92976	1.2
67.05498	14.7
69.03428	7.3
69.07067	8.7
69.34132	1.4
69.34478	13.5
71.08669	1.2
71.65201	1.1
79.05479	13.5
81.03384	1.7
81.07050	22.6
83.04949	4.2
83.08605	5.0
83.72188	1.1
85.06517	3.6
85.07652	9.9
86.07970	2.2
87.09193	3.5
88.07593	2.9
89.06016	1.7
91.05479	19.6
93.06466	1.7
93.07035	30.8
95.04965	9.1
95.08594	19.3
97.06492	4.3
97.10172	2.2
99.00816	1.2
105.07025	33.3
107.04933	1.5
107.08589	16.4
109.06520	9.3
109.10152	10.0
111.08047	2.7
113.05960	1.5
115.05450	1.3
117.07013	7.9
119.08566	33.7
121.06447	4.8
121.09326	1.3
121.10137	15.8
123.08055	11.6
123.11639	2.1
125.05971	2.4
128.06180	2.7
129.06975	6.8
130.07739	1.9
131.08554	15.1
133.10124	19.1
135.08047	11.2
135.11710	8.2
137.09619	11.3
139.11113	1.2
141.06915	1.9
142.07768	4.8
143.08575	12.8
144.09277	2.6
145.10117	27.4
146.10361	1.5
147.08028	15.7
147.09090	2.2
147.11700	6.2
149.09579	3.8
149.13252	2.0
151.07538	9.6
153.06943	1.3
155.08524	4.8
156.09267	5.1
157.10136	16.8
158.10803	3.0
159.08047	2.5
159.11688	17.6
161.09619	3.1
161.13217	6.6
163.11151	8.1
165.09108	40.3
165.12927	1.3
166.09482	1.7
169.10123	9.3
170.10916	2.1
171.11664	9.9
173.09634	2.2
173.13260	6.0
175.11121	3.2
175.14787	4.2
177.09161	1.4
179.08595	3.0
179.10533	1.4
181.10085	3.8
181.12190	10.0
182.10960	2.8
183.11655	7.5
185.09612	1.2
185.13261	6.7
186.13565	1.8
187.11087	1.8
187.14751	5.1
187.75862	1.1
189.12741	2.3
190.13470	1.6
191.14362	2.4
193.10126	2.1
193.12186	1.8
194.10912	1.9
195.11612	4.0
196.12245	1.4
197.13254	6.1
199.11130	1.7
199.14771	2.3
199.53709	1.2
201.12691	2.1
201.16356	2.4
203.14325	14.9
205.15858	1.6
206.10834	1.3
207.11734	2.8
207.13776	4.2
208.12343	1.9
209.13196	5.2
209.15155	2.3
210.13660	2.4
211.14760	3.9
212.15207	1.2
213.12698	1.8
213.16267	2.5
217.15765	2.0
218.10811	1.5
221.13724	3.7
221.15340	100.0
222.13756	1.7
222.15643	5.6
223.14810	2.4
225.16309	2.0
229.12222	1.3
233.13312	2.6
233.15425	1.4
234.16132	2.5
235.14664	2.6
235.16756	2.6
237.16283	2.3
237.21968	1.9
247.14641	1.7
247.17052	5.8
248.17281	3.9
249.16219	1.8
251.17912	1.5
265.19415	2.1
267.17404	1.4
269.11911	1.3
274.19116	2.0
283.20367	1.3
286.19165	1.3
287.19937	3.8
291.19531	4.1
299.19952	4.5
300.20590	2.7
301.21442	4.6
312.20435	1.7
313.21445	2.3
325.21768	2.4
326.22037	1.3
352.23856	4.6
353.24292	5.4
367.26373	8.0
375.26428	1.7
379.26315	1.3
393.27560	2.5
428.28934	1.4
440.28946	3.6
441.29642	6.3
491.35074	12.1
509.35886	5.3
518.44409	1.7
521.35974	10.4
565.40009	2.1
583.41187	13.8
601.42511	50.6
602.42426	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	601.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01856	0.2
57.03413	0.1
61.02922	0.1
63.61322	0.1
66.94241	0.1
67.01839	0.1
68.99774	0.2
69.03425	0.9
69.55642	0.9
71.04971	0.1
71.29308	0.1
73.02890	0.2
76.14137	0.1
79.05479	0.2
81.03401	0.9
81.07027	0.1
85.02894	1.4
91.05458	0.3
95.04955	0.1
95.08571	0.2
96.01739	0.1
97.02866	0.8
99.04429	0.2
103.03911	0.3
105.07007	0.1
107.04927	0.2
107.08563	0.3
109.02845	1.1
109.10131	0.1
115.05419	0.1
117.06963	0.2
121.02845	0.4
121.06454	0.3
122.06046	0.1
123.04430	0.1
123.08046	0.1
125.05953	0.3
127.03889	1.4
135.07091	0.1
135.08043	1.3
136.07532	0.5
137.09541	0.1
139.03944	0.1
145.04900	0.3
145.06454	0.3
147.04456	0.2
149.05960	0.2
151.03877	5.9
161.05965	2.5
162.06618	0.1
163.07500	0.4
164.05804	0.1
164.07013	0.5
167.06973	0.1
169.04933	0.2
173.05927	0.1
176.04637	0.3
187.05986	1.0
190.06204	4.3
191.06989	4.6
193.04935	3.5
205.07016	0.5
213.04536	0.1
217.04935	3.2
235.05968	100.0
236.06329	1.6
250.11435	0.2
257.01065	0.1
265.23853	0.1
277.06958	0.1
287.13785	0.2
368.40012	0.1
401.48352	0.1
439.12140	0.9
518.34656	0.1
565.17310	0.1
601.17419	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.4
51.51602	2.6
53.03929	5.8
53.28980	2.3
55.05499	21.2
57.07057	11.7
65.03910	4.0
67.05490	40.0
69.03404	14.4
69.07052	22.2
69.68320	21.1
71.04971	9.0
71.08598	2.7
78.99245	2.6
79.05474	38.9
80.06261	4.2
81.06570	3.4
81.07040	52.6
81.98712	2.8
83.04971	22.3
83.08588	13.2
85.06519	8.6
86.48883	2.7
87.04446	3.8
89.06007	9.7
91.04898	3.4
91.05461	63.1
93.07032	68.9
95.04949	29.6
95.08589	41.6
97.06503	20.2
98.20807	6.0
103.05402	5.5
105.07008	100.0
106.07813	3.6
107.04926	6.6
107.08570	71.7
109.06506	23.6
109.10132	44.1
111.08044	9.7
113.05994	3.8
113.09648	5.9
115.05402	7.2
116.06191	3.3
117.06982	28.7
119.08549	91.1
120.09397	3.1
121.06457	11.6
121.10120	59.4
123.08035	38.3
123.11671	10.4
125.09648	16.9
125.10426	2.7
128.06200	15.9
129.06989	28.3
130.07765	14.7
131.08540	60.4
132.09299	8.2
133.06444	9.4
133.08600	5.6
133.10106	59.8
135.08028	20.9
135.11673	18.4
137.09567	14.4
139.07567	2.7
139.11121	9.7
141.06935	13.6
142.07759	30.5
143.08534	63.9
144.09320	20.0
145.06436	6.8
145.10095	81.8
146.10793	3.6
147.08014	19.6
147.11679	26.8
149.09579	19.6
151.07491	6.9
153.06946	7.6
153.09084	2.7
154.07762	4.7
155.08519	31.2
155.10522	14.8
156.09320	32.1
157.10098	88.1
158.10866	11.0
159.08014	25.5
159.11655	53.7
160.08746	4.7
161.09583	22.6
161.13234	9.9
163.11148	10.9
165.06970	8.9
165.09074	10.0
166.07683	3.6
167.08508	13.0
167.10620	24.8
168.09277	10.7
169.10097	36.5
170.10883	13.4
171.11658	56.7
172.08812	3.4
172.12408	7.5
173.09604	13.8
173.13223	33.8
174.10463	3.5
174.13954	3.4
175.11122	17.4
175.14729	9.4
179.08530	13.8
179.10672	2.8
180.09300	10.3
181.10089	27.1
181.12167	10.3
182.10898	14.8
183.11662	34.9
184.12526	4.2
185.09583	8.6
185.13199	29.9
186.10385	3.6
186.14001	6.0
187.11113	11.9
187.14764	9.4
189.12660	10.8
190.13417	6.6
191.14185	6.9
192.09331	6.6
193.10106	14.9
193.12051	3.7
194.10847	13.9
195.11661	36.8
196.12477	14.2
197.09581	4.9
197.13222	38.9
198.13925	6.8
199.11122	9.5
199.14769	21.9
201.12718	12.1
201.16318	7.5
203.14207	17.1
205.09941	4.0
205.15855	3.8
206.10899	7.7
207.11636	26.9
207.13567	5.3
208.12427	10.8
208.14363	3.7
209.09744	3.3
209.13260	34.2
209.15202	3.6
210.13962	6.5
211.11179	8.5
211.14771	22.0
212.11882	3.7
212.15503	5.7
213.12779	13.5
213.16428	8.5
215.14194	10.2
217.10188	3.6
217.15773	3.7
218.10858	3.2
218.16611	8.6
219.11664	10.0
219.13638	4.2
220.12511	4.2
221.13197	20.4
221.15332	28.4
222.13905	6.3
223.11256	3.9
223.14761	26.3
224.15535	4.7
225.12694	6.4
225.16316	10.3
227.14227	11.5
229.15744	4.9
231.11549	5.8
231.13684	4.1
232.12396	4.1
233.13190	10.1
233.15314	30.7
234.16054	10.8
235.14784	15.3
236.15596	4.5
237.12781	4.3
237.16479	16.5
239.14331	6.1
239.17934	5.4
241.15823	5.1
245.13246	5.0
246.14006	6.9
247.14699	11.3
248.15521	5.2
249.16315	11.6
251.17947	10.5
253.15820	7.2
253.19266	4.1
255.17418	45.4
257.18909	4.1
259.14716	8.1
260.15479	4.0
261.16315	7.6
263.17816	7.8
265.15936	7.5
265.19479	6.7
267.17365	5.8
268.18259	3.8
269.18982	10.0
270.19748	12.3
271.17035	5.1
273.18469	9.7
274.17087	3.2
275.17642	4.0
279.17450	5.5
281.18936	11.4
283.20499	5.5
285.18491	5.6
286.19290	5.5
287.20044	8.9
289.19418	5.1
291.17416	3.9
293.18970	4.9
295.20633	4.7
299.19952	9.6
303.20831	4.1
307.20465	3.5
311.19934	3.4
325.21689	3.1
347.23587	7.6
352.24100	5.0
360.24365	5.3
365.24603	10.4
383.25858	13.1
401.28500	3.7
520.35535	4.2
567.38348	4.0
582.39825	5.4
600.41449	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	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.05507	4.8
57.07066	10.0
59.04982	3.6
59.61807	0.9
61.42779	0.9
65.03938	1.2
67.05500	9.0
69.03416	8.3
69.07057	4.9
69.48779	6.8
69.49191	1.5
71.04958	1.0
79.05489	11.7
80.06246	1.0
81.03422	1.5
81.07042	18.0
83.04971	6.0
85.06528	5.0
87.74387	0.9
89.05994	3.0
91.05466	22.7
92.06258	2.6
93.07034	26.9
95.04958	7.7
95.08594	17.7
97.06535	4.5
103.05431	1.7
105.07017	42.0
105.99184	0.9
106.07826	2.0
107.04945	1.9
107.08585	21.5
109.06503	12.5
109.10125	7.5
111.04493	1.2
111.08051	1.5
112.77347	0.9
115.05457	2.4
116.06224	1.3
117.07009	11.4
119.08561	54.1
120.08907	1.4
120.09361	1.4
121.06494	8.5
121.10132	22.9
122.07240	2.0
123.04434	1.0
123.08047	16.1
123.11758	1.2
125.05984	11.9
128.06235	4.6
129.07001	9.2
130.07756	2.9
131.08546	19.6
132.09315	3.5
133.06465	4.2
133.07478	1.1
133.08574	1.7
133.10114	21.1
134.10854	3.2
135.08046	19.2
135.11667	7.3
135.37184	1.0
137.05972	1.8
137.09593	13.3
139.07518	3.1
139.11188	1.3
141.06953	2.6
142.07770	8.2
143.08546	21.3
144.09360	5.2
145.06465	3.6
145.10107	35.3
146.10870	1.2
147.08025	29.6
147.11658	7.9
148.08463	1.1
149.09615	11.5
151.07516	14.0
151.11136	1.4
153.06960	1.6
153.08989	1.0
154.07779	1.3
155.08537	11.0
156.09331	7.1
157.10103	28.5
158.07323	1.1
158.10924	5.4
159.08076	7.4
159.11673	20.6
160.08876	1.5
160.12349	2.4
161.09613	10.1
161.13242	7.9
162.10362	2.1
163.07472	1.4
163.11160	23.9
165.07043	1.8
165.09094	47.7
166.07837	1.5
166.09424	2.8
167.08606	4.9
168.09300	2.8
169.10104	15.4
170.10867	6.7
171.08154	1.2
171.11668	16.3
172.08875	1.5
172.12451	4.7
173.09601	7.3
173.13205	7.7
175.11166	19.1
175.14725	2.5
176.11781	1.4
177.09093	3.9
177.12735	1.6
178.09891	2.3
179.08566	3.0
179.10738	2.6
180.09302	1.8
180.11478	4.2
181.10269	6.3
181.12216	19.0
182.10878	2.7
183.08087	1.0
183.11664	16.2
184.12440	3.9
185.09634	3.8
185.13226	9.5
186.13892	1.4
187.11176	6.2
187.14847	3.8
188.11847	1.2
189.09114	1.6
189.12712	10.2
190.13531	8.2
191.10677	5.8
191.14258	1.6
193.10168	3.7
193.12245	12.6
194.10898	2.7
195.11697	11.1
195.13686	2.4
196.12444	3.1
197.09631	2.4
197.13243	11.0
198.10425	1.7
198.13860	1.3
199.11128	5.5
199.14838	3.1
200.11809	1.9
201.12720	6.4
202.13481	1.8
203.14291	18.3
204.14624	1.8
205.12181	2.1
206.10916	1.9
206.13011	1.9
207.11711	5.1
207.13821	11.1
208.08870	1.6
208.14526	9.7
209.09584	1.3
209.13237	7.8
209.15143	1.9
210.10353	1.2
210.13963	1.5
211.11162	3.4
211.14798	8.4
212.11842	1.6
212.15559	2.8
213.12735	4.3
213.16167	1.4
215.10657	1.4
215.14279	2.4
216.15012	2.4
217.12129	1.3
219.11797	2.3
219.13803	7.2
220.12477	1.4
220.14526	1.2
221.13383	4.0
221.15327	100.0
222.13913	1.2
222.15715	10.9
223.11043	1.6
223.14778	4.7
225.12750	4.1
225.16350	4.1
227.14360	2.8
229.15776	2.1
231.13805	3.6
232.12563	1.2
233.13173	2.7
233.15356	5.8
234.13831	1.7
234.16119	19.8
235.14883	2.2
235.16968	1.8
237.12799	3.2
237.16359	3.3
239.14279	1.9
239.17969	2.4
240.14877	1.2
240.18726	1.8
241.15855	2.7
243.13840	1.4
245.15483	1.3
247.14777	1.9
247.16930	31.6
247.19482	2.1
248.17509	5.6
249.12738	1.3
249.16351	1.8
251.14232	2.1
251.18027	1.7
253.12038	1.2
253.15956	4.1
257.15466	2.1
259.16946	4.3
260.17834	1.5
261.16306	2.0
261.18677	1.8
263.18036	1.6
265.15945	2.8
267.17361	2.0
269.15384	3.0
269.18958	1.6
271.16934	3.2
272.17615	2.0
273.18607	2.4
274.19211	14.9
275.17819	1.6
279.17499	2.0
281.19061	3.5
284.17828	1.0
285.18488	2.7
286.19281	4.3
287.20093	11.2
297.18454	2.6
298.19104	2.3
299.20035	19.1
300.20697	4.0
301.21622	1.4
307.20633	2.7
309.18420	1.2
310.19171	3.1
311.19977	5.2
312.20779	11.9
313.21701	8.8
319.20581	2.4
325.21576	16.3
326.22284	1.8
327.23279	3.6
337.21466	4.7
339.23209	6.6
340.23895	15.9
340.27841	1.3
351.23184	1.8
352.23923	27.8
353.24442	2.6
363.22900	1.2
365.24777	6.9
366.25549	3.9
377.24893	2.1
379.26202	5.6
387.25272	4.5
391.26312	4.8
392.26871	3.3
400.26126	2.6
405.27820	1.1
411.24945	1.1
413.26767	5.5
419.29349	8.3
420.30176	4.7
425.26782	6.9
426.27646	6.0
427.28323	18.4
428.28934	1.7
440.29184	55.5
441.29553	3.3
442.30966	2.6
454.30927	3.0
491.35291	1.3
493.33334	1.4
494.33841	1.9
505.33051	1.2
507.34543	2.6
508.35120	5.5
520.35419	44.4
521.35834	4.4
567.38165	1.1
582.40442	1.7
583.41333	2.3
585.39435	3.3
600.41492	41.7
601.42169	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	600.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	7.2
55.01862	2.4
55.05498	20.0
55.23236	2.0
57.03411	2.1
57.07055	8.6
59.04966	3.8
65.03916	5.0
66.83349	1.9
67.05488	35.3
69.03421	12.0
69.07049	21.2
71.04967	7.9
76.13380	1.7
77.03893	2.3
79.05473	29.0
81.07041	41.8
83.04955	21.5
83.08593	16.0
83.09084	2.0
83.09233	1.8
85.06521	11.3
87.04468	2.7
91.05454	62.4
93.07019	66.0
93.48953	2.1
95.04941	22.4
95.08583	38.9
97.06499	16.5
98.20715	5.8
105.07005	100.0
106.07793	2.9
107.04944	4.0
107.07848	4.4
107.08566	69.2
109.06485	22.9
109.10133	31.5
111.08050	6.8
113.06005	2.2
113.09621	3.6
115.05438	6.8
116.06207	3.2
117.06997	27.0
119.08550	96.6
121.06477	19.3
121.10115	68.0
123.08041	33.9
123.11694	5.8
125.09583	13.2
128.06190	14.4
129.06982	30.0
130.07727	8.1
131.08534	53.7
132.09286	5.3
133.06461	6.4
133.10106	54.9
134.10806	3.4
135.08000	20.5
135.11647	14.2
136.83488	2.6
137.09589	15.4
139.11172	5.5
141.06961	12.5
142.07741	28.9
143.08528	66.2
144.09314	14.0
145.06445	6.1
145.10089	80.0
146.10785	3.8
147.08020	23.5
147.11646	22.6
149.09596	23.1
149.13234	3.2
151.07491	12.5
151.11089	3.5
153.06944	6.0
153.09077	2.2
154.07722	4.0
155.08536	23.5
155.10597	11.2
156.09317	23.9
157.10088	84.1
158.07257	3.7
158.10837	10.7
159.08040	23.2
159.11649	58.2
160.08784	7.3
161.09555	22.2
161.13266	11.7
163.11104	12.4
165.06937	9.0
165.09062	15.9
165.12691	2.5
166.07770	3.7
166.83821	2.6
167.08510	15.7
167.10657	24.5
168.09297	9.5
169.10080	39.5
170.10831	13.2
171.07990	3.8
171.11650	56.1
172.08778	3.2
172.12425	7.8
173.09598	11.9
173.13222	23.6
175.11179	19.4
175.14778	8.2
177.09042	2.8
177.12749	3.8
178.07675	3.1
179.08536	14.2
179.10536	4.9
180.09271	7.5
181.10100	27.3
181.12163	6.8
182.10919	12.3
182.12468	2.7
183.07993	2.9
183.11655	36.6
184.12408	8.9
185.09607	6.1
185.13225	26.7
186.10284	2.1
186.14021	6.0
187.11082	10.6
187.14723	9.9
188.11929	3.5
189.12689	13.5
190.13493	7.3
191.10608	2.5
191.14268	6.0
192.09258	7.0
193.10085	16.5
193.12170	5.9
194.10829	12.6
195.11644	35.9
196.12418	13.6
197.09561	4.4
197.13223	33.7
198.10355	3.1
198.14085	2.4
199.11139	9.1
199.14796	17.9
201.12714	10.0
201.16280	3.7
203.14275	14.7
205.10115	6.7
205.12061	2.5
206.10889	8.1
207.11653	23.0
207.13756	8.3
208.12431	10.2
208.14388	4.9
209.13249	32.0
209.15254	3.4
210.10138	2.1
210.13992	6.2
211.11159	7.3
211.14748	26.2
212.11847	2.2
213.12717	12.2
213.16255	6.7
215.14290	13.2
217.10216	3.9
217.12245	4.3
217.15781	6.9
218.10913	3.3
218.16550	5.5
219.11682	8.0
219.13611	3.0
220.12431	8.5
221.13203	20.1
221.15352	38.6
222.13925	9.2
223.11197	3.5
223.14737	21.9
224.15462	3.0
225.12741	6.9
225.16327	13.9
227.14279	10.9
229.15862	7.2
229.79379	2.7
231.11588	4.9
232.12456	5.8
233.13152	7.6
233.15341	29.3
234.13986	4.7
234.16075	9.0
235.14828	11.0
236.15631	3.1
237.12662	3.4
237.16653	11.1
239.14264	5.6
239.17949	7.2
241.15767	5.5
245.13240	6.8
246.13840	5.2
246.16176	2.8
247.14702	8.6
247.16960	6.7
248.15619	2.8
249.16402	11.6
251.14204	3.8
251.17885	8.4
253.15834	7.6
253.19588	2.5
255.17371	38.8
257.18933	2.6
258.14011	3.7
259.14728	5.6
259.17133	2.7
260.15436	2.5
261.16257	10.9
263.17978	9.9
265.15811	2.8
265.19534	5.3
267.17346	6.0
268.18076	3.9
269.19028	7.9
270.19714	9.5
271.16986	4.5
271.20291	2.7
273.16058	3.5
273.18491	5.6
274.19235	3.7
275.17752	3.6
277.15790	2.6
277.19626	2.6
278.19958	2.2
279.17404	3.5
281.18915	11.1
282.19501	3.8
283.17200	2.6
283.20441	5.7
285.18576	6.0
286.19153	8.7
287.20096	6.0
289.19403	3.6
293.19025	2.6
294.19696	3.3
295.20526	6.4
297.18530	4.1
299.20029	8.2
300.20801	2.9
301.19107	2.5
303.19550	8.4
307.20386	4.6
312.20596	1.9
313.21790	3.4
315.20966	3.9
319.20642	2.4
321.21869	2.3
325.21487	5.3
333.21970	3.6
334.22830	3.8
335.23660	3.6
337.21518	3.6
342.66815	2.3
345.22095	3.1
347.23566	6.1
352.23846	21.1
359.23743	3.0
361.25211	3.6
365.24625	11.0
373.25378	3.1
377.25122	2.1
383.25931	10.7
502.34274	3.3
503.35791	2.5
505.33289	2.4
507.34595	4.7
508.34833	4.0
520.35406	13.6
567.37555	3.8
582.39740	2.8
600.41449	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	600.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.4
55.05501	18.7
57.07071	14.3
59.04984	6.2
67.05495	29.4
69.03426	15.8
69.07053	19.2
71.04961	6.4
75.24150	2.9
79.05486	35.1
79.09568	2.7
81.07035	40.4
83.04973	18.8
83.08595	15.9
85.06514	10.3
86.36356	2.9
91.05465	59.3
93.06462	5.1
93.07029	83.4
95.04963	28.9
95.08591	40.9
97.06516	14.6
97.10188	3.5
103.05470	5.5
105.07016	95.0
106.07810	3.8
107.04946	7.3
107.08574	73.4
109.06480	24.7
109.10161	27.0
111.08038	6.5
115.05455	8.4
116.06276	3.1
116.43132	2.6
117.06995	23.8
119.04926	5.8
119.08559	100.0
120.09352	6.6
121.06476	13.4
121.10124	59.4
123.08046	34.4
123.11697	3.3
125.05980	5.1
125.09576	8.9
128.06218	20.5
129.06969	26.8
130.07774	9.6
131.08548	48.3
133.06474	9.1
133.10114	50.4
135.08037	28.3
135.11705	14.5
137.05977	5.7
137.09596	15.9
139.11247	3.3
141.06958	12.1
142.07776	35.1
143.08539	64.5
144.09334	19.5
145.06467	7.7
145.09010	5.8
145.10110	82.2
147.08032	39.8
147.11644	20.9
149.09584	17.6
149.13217	4.7
151.07558	14.3
151.11096	4.6
154.07808	7.1
155.08531	20.8
155.10616	6.7
156.09303	23.3
157.10110	96.7
158.10876	11.9
159.08069	21.4
159.11671	55.9
160.08784	7.9
160.12451	3.3
161.09589	25.8
161.13200	12.5
163.11162	19.4
165.06927	9.6
165.09076	38.7
166.07773	4.2
167.08540	11.5
167.10640	17.0
168.09348	11.8
169.10085	38.1
170.10870	12.6
171.08014	3.3
171.11656	47.6
172.08742	3.6
172.12450	9.8
173.09589	16.4
173.13254	21.7
174.10236	3.6
175.11160	30.0
175.14722	6.9
177.09055	7.5
177.12794	3.9
178.07748	3.9
179.08479	14.9
179.10606	4.5
180.09311	7.7
180.11417	3.2
181.10095	19.8
181.12279	7.4
182.10835	14.0
183.11656	36.7
184.12411	8.7
185.09543	8.1
185.13237	31.7
186.13992	5.6
187.11139	11.7
187.14748	4.1
189.12651	18.1
190.13478	8.8
191.14355	7.5
192.09270	6.1
193.10089	18.2
193.12204	9.3
194.10910	8.9
195.07956	4.7
195.11674	34.4
196.08925	3.4
196.12436	8.2
197.09610	4.7
197.11598	6.7
197.13228	28.7
198.10405	3.1
199.11139	10.5
199.14787	16.8
201.12688	11.2
203.14299	25.6
205.10149	5.6
206.10843	11.9
207.11618	18.3
207.13751	18.2
208.12463	12.9
208.14458	7.7
209.09555	3.4
209.13295	31.3
209.15208	4.6
210.13976	5.3
211.11125	8.6
211.14780	21.8
212.11829	3.7
213.12691	11.2
213.16347	11.0
215.14426	7.2
217.10159	3.4
218.10915	4.0
218.16728	3.8
219.11697	8.2
219.13721	7.1
220.12424	8.9
221.13206	17.4
221.15335	73.8
222.13910	5.4
223.11197	6.7
223.14714	15.8
224.15431	3.2
225.12650	8.1
225.16370	10.5
227.14342	6.8
229.15681	4.9
230.12930	4.0
231.11525	4.6
233.13196	7.7
233.15326	29.2
234.13945	5.5
234.16080	9.7
235.14801	11.6
236.15558	4.3
237.14565	28.0
239.14149	7.9
239.17827	4.5
241.15805	6.1
245.13188	8.1
247.14796	5.4
247.16959	7.2
248.14066	13.7
249.16313	10.5
249.32031	3.2
251.18118	5.2
253.15862	9.4
255.17368	37.6
257.15433	4.4
257.18930	3.5
259.16986	4.8
261.16278	10.9
262.16827	4.3
263.17984	6.0
267.17368	4.2
268.18094	6.3
269.18787	5.4
270.19681	14.8
271.17136	3.7
273.16129	3.4
273.18652	5.3
274.19263	11.3
279.17548	3.3
281.18951	9.3
283.20389	3.6
285.18460	6.5
286.19385	15.1
287.20035	9.7
289.19247	5.0
291.17496	4.0
293.18857	4.6
294.19678	5.5
295.20480	7.6
297.18549	5.4
299.20193	16.4
303.19562	50.3
307.20300	4.0
311.20050	4.4
312.21030	6.9
313.21622	11.2
315.20853	4.3
324.06247	3.3
325.21466	17.9
337.21414	10.7
347.23572	4.8
352.23898	87.9
365.24588	23.5
377.24670	9.6
383.25809	9.9
420.30188	5.3
502.34082	12.2
505.32468	5.2
507.34415	13.8
508.34814	5.5
520.35406	62.0
567.38257	4.9
582.40442	5.3
585.39203	6.0
600.41553	33.5
607.67334	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	600.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10934	1.8
55.05515	4.5
57.07066	10.2
57.72372	1.5
59.04984	3.2
63.67838	1.6
67.05495	12.0
69.03419	8.4
69.07059	5.8
69.48759	17.3
76.58130	1.7
79.05489	12.0
81.07043	20.2
83.04968	7.9
85.06522	6.1
89.06059	3.6
91.05463	26.9
92.06226	2.3
93.07034	27.6
95.04955	7.2
95.08601	19.9
97.06515	6.1
98.21531	4.3
104.96451	1.8
105.07014	53.3
106.07823	2.4
107.04946	2.6
107.08566	22.8
109.06521	11.9
109.10143	6.5
111.08094	2.2
117.07024	11.1
119.08556	52.3
120.09380	3.6
121.06474	5.4
121.10121	24.8
121.73477	1.7
122.07301	2.3
123.08063	16.8
125.05962	11.0
128.06206	2.1
129.06995	8.1
130.07758	3.3
131.08553	24.1
132.09305	1.9
133.06499	3.7
133.10089	22.0
134.10899	2.6
135.08035	16.9
135.11662	7.1
137.09599	13.8
139.07452	2.3
141.07028	2.5
142.07784	10.1
143.08533	21.4
144.09276	5.0
145.06526	2.5
145.10095	37.1
146.10936	2.0
147.08014	27.1
147.11726	8.7
149.09634	11.3
151.07526	13.1
151.11128	2.3
155.08517	10.4
156.09344	9.4
157.10114	31.9
158.10875	4.7
159.08040	6.2
159.11653	21.4
160.08812	2.5
161.09593	11.7
161.13210	6.1
163.11163	17.1
164.11882	2.2
165.09088	45.1
166.09454	2.1
167.08528	2.3
168.09311	3.3
169.10062	12.9
170.10846	6.7
171.11682	14.9
172.12440	3.1
173.09570	10.4
173.13231	7.4
175.11127	18.8
175.14819	2.7
177.09111	2.7
177.12758	2.8
178.09842	3.5
178.54199	2.0
179.08490	3.5
179.10684	2.1
180.09398	2.1
180.11464	4.6
181.10098	5.4
181.12204	18.1
182.10890	5.1
183.08015	2.1
183.11646	16.5
185.09598	5.1
185.13242	12.3
186.14023	2.2
187.11168	5.8
187.14810	3.8
189.12634	9.3
190.13535	10.6
191.10654	5.4
193.10298	3.8
193.12231	15.4
194.10825	4.4
195.11665	13.7
195.13304	2.2
196.12440	4.1
197.09465	3.3
197.13231	13.7
198.10341	2.4
199.11185	6.3
199.14778	2.3
201.12747	8.2
203.14253	20.2
207.11810	3.7
207.13766	12.5
208.12688	3.2
208.14488	13.1
209.13248	8.9
211.11169	4.6
211.14760	5.9
213.12689	4.9
213.16350	3.2
215.14288	4.1
216.15199	2.1
219.11844	3.1
219.13675	9.3
221.13301	4.9
221.15321	100.0
222.15709	4.5
223.14882	4.1
225.12636	3.6
225.16307	3.5
227.14374	3.7
229.15869	2.1
231.13771	2.7
233.15363	4.6
234.13995	3.1
234.16112	18.7
235.14703	4.4
237.12737	3.9
237.16379	3.6
239.14256	3.5
240.18675	3.8
241.15919	4.2
245.15587	3.6
247.16878	32.8
248.17604	4.9
253.15923	3.2
257.15393	2.5
259.16956	7.1
261.18539	2.5
265.15796	2.7
266.16599	2.4
269.15350	3.5
271.17041	2.9
273.18546	2.6
274.19174	15.8
279.17462	3.0
281.18939	4.6
284.53610	2.1
286.19263	6.4
287.19989	11.7
297.18451	5.3
298.19165	2.7
299.19983	20.0
300.20926	3.9
307.20520	3.7
309.18558	3.1
310.19232	1.9
311.19998	7.5
312.20966	9.9
313.21494	8.1
325.21616	15.9
337.21545	5.4
339.23099	7.7
340.23874	21.2
351.22910	2.9
352.23932	40.6
353.24457	2.7
365.24612	6.1
366.25302	5.8
379.26309	3.4
387.25278	5.2
391.26196	4.5
392.27078	2.3
413.26520	7.0
419.29135	7.8
420.30292	4.5
425.26755	13.8
426.27438	5.5
427.28342	22.8
440.29160	64.3
441.29242	2.7
442.30423	3.1
478.57858	2.4
493.32916	2.6
508.35098	5.5
520.35455	52.2
521.35999	4.7
571.34839	2.2
585.38892	3.6
600.41589	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	600.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
54.68286	2.4
55.01859	3.5
55.05503	14.2
57.07054	11.6
59.04994	2.9
59.13694	2.1
64.00522	2.0
64.20833	2.1
67.05492	20.2
69.03426	15.8
69.07050	12.8
69.32336	23.4
69.32741	5.3
79.05480	27.2
81.07042	30.5
83.04958	14.9
83.08607	10.4
83.24013	2.2
85.06539	4.7
89.06025	5.9
91.05467	36.3
93.07027	65.3
93.07613	3.5
95.04955	18.0
95.08600	34.4
96.08943	2.1
97.06509	5.2
103.05482	3.7
105.07015	72.9
106.07899	3.2
107.04972	2.7
107.08587	48.4
109.06514	20.9
109.10141	20.7
111.08063	6.2
115.05414	4.1
117.07001	15.9
119.08559	79.8
120.09393	3.3
121.06497	13.7
121.10117	43.4
122.10446	2.3
123.08042	29.2
123.11677	4.6
125.05981	6.1
125.09618	7.0
128.06212	11.1
129.07004	22.7
130.07744	7.1
131.08540	40.9
132.09312	2.8
133.06468	7.0
133.10114	45.1
135.08032	25.6
135.11635	12.6
136.08687	2.3
137.05951	4.0
137.09621	16.1
139.07466	4.1
141.06952	6.5
142.07753	23.3
143.08539	44.5
144.09370	15.0
145.10101	58.5
146.10777	2.8
147.08020	33.3
147.11673	14.5
149.09601	17.3
151.07530	17.6
151.11166	5.4
153.06984	3.3
154.07761	3.4
155.08556	17.6
156.09314	19.0
157.10100	61.3
158.10861	9.1
159.08066	15.5
159.11661	41.3
160.08783	5.3
161.09593	21.6
161.13240	8.4
163.07509	3.9
163.11176	18.7
165.06995	3.3
165.09079	47.4
166.07762	3.8
167.08572	8.6
167.10663	10.5
168.09268	5.3
169.10095	26.6
170.10896	12.4
171.11653	31.1
172.12401	7.2
173.09589	8.5
173.13220	15.1
174.10445	3.8
175.11179	20.6
175.14760	5.0
177.09116	3.3
177.12686	4.3
179.08521	7.7
179.10687	4.2
180.09329	3.6
180.11557	2.5
181.10051	15.3
181.12221	10.3
182.10925	11.2
183.11676	20.4
184.12318	5.4
185.09605	5.5
185.13228	16.6
186.13986	4.9
186.18274	2.2
187.11160	10.5
187.14803	4.3
188.11996	2.8
189.12718	12.5
190.13478	9.6
191.14264	4.4
192.09383	4.1
193.10168	11.0
193.12138	11.6
194.10878	10.2
195.11694	23.5
196.12376	7.4
197.09593	5.4
197.11658	2.8
197.13246	21.6
198.10364	2.3
198.13765	2.3
199.11147	10.5
199.14821	5.1
201.12730	8.1
203.14299	30.1
205.10202	4.6
205.12001	2.5
206.10826	5.8
207.11661	15.5
207.13779	19.0
208.12396	6.5
208.14548	10.0
209.13232	21.2
209.15309	5.6
210.14008	4.7
211.11177	6.4
211.14769	7.3
212.11891	3.6
213.12694	9.1
215.10648	2.6
215.14334	4.3
217.10173	2.9
218.16508	2.8
219.11772	5.5
219.13760	8.8
221.13258	11.1
221.15302	87.0
222.15823	5.5
223.11191	4.9
223.14778	11.8
224.12029	2.7
225.12740	4.8
225.16391	5.2
227.14355	4.4
229.15897	3.9
230.12791	2.8
231.11673	5.7
232.12361	3.4
233.13338	3.6
233.15341	19.6
234.13945	5.0
234.16129	10.5
235.14816	7.8
235.16913	3.5
236.15323	2.9
237.12680	5.1
237.14680	40.0
239.14227	5.0
239.17920	2.7
244.12209	2.8
245.13202	4.3
247.14928	3.9
247.16936	12.4
248.13864	15.7
249.16324	6.7
251.14253	4.9
251.17978	6.3
253.15898	6.4
255.17383	21.7
256.18155	2.6
257.15381	3.8
259.14758	3.5
259.17075	3.3
261.16357	7.2
263.17950	6.2
265.15970	4.1
265.19553	3.4
267.17471	2.9
268.18295	4.3
269.18875	3.9
270.19739	7.1
271.16995	6.0
273.18567	3.0
273.85617	2.5
274.19302	20.5
275.17944	3.3
279.17450	7.6
281.18988	4.9
285.18469	7.5
286.19150	17.9
287.20111	11.0
289.19104	2.8
294.19714	6.9
295.20380	4.4
297.18500	4.0
298.19214	2.9
299.20114	13.5
300.20490	3.4
303.19504	48.8
307.20462	3.3
311.19952	4.3
312.20728	7.7
313.21555	20.6
319.20615	3.3
321.22107	2.7
325.21561	14.6
337.21515	11.3
347.23602	2.9
350.22372	3.1
352.23904	100.0
353.24380	6.9
359.23843	3.4
365.24719	20.3
377.24774	6.0
377.30521	4.3
383.25769	8.7
391.26611	3.2
419.29324	3.3
420.29868	4.6
454.30887	3.6
463.31595	2.7
469.31183	2.6
487.31891	5.0
502.34424	11.3
503.35101	7.0
503.59222	2.7
505.33011	4.5
507.34497	8.9
508.34491	4.3
520.35455	68.5
521.35602	6.4
567.38916	3.7
582.40228	10.6
585.39166	5.6
600.41681	31.6
628.30042	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	600.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
53.48016	2.4
55.01867	2.9
55.05499	14.7
57.07067	10.8
59.04969	4.3
65.03913	3.7
67.05491	15.0
69.03409	15.3
69.07051	11.5
71.04981	3.3
79.05467	27.1
81.07030	33.7
83.04958	14.9
83.08584	4.5
85.06537	10.1
91.05468	34.6
93.06455	4.4
93.07025	63.0
95.04945	21.2
95.08577	26.3
97.06527	12.3
98.21683	1.8
101.79996	2.3
103.05469	2.7
105.07009	81.4
106.07804	3.8
107.04927	2.7
107.08566	45.7
109.06489	21.0
109.10136	16.7
111.08061	6.7
114.78005	1.7
115.05392	4.4
116.06227	3.2
117.06969	22.2
119.08554	66.5
120.09352	5.5
121.06509	17.2
121.10109	48.4
123.08039	30.4
123.11657	4.9
125.05974	7.2
125.09626	4.1
128.06189	10.3
129.06975	17.2
130.07768	6.4
131.08554	38.2
132.09300	5.0
133.06447	10.8
133.10106	36.5
135.08017	23.5
135.11633	12.9
137.05934	3.9
137.09576	15.5
139.07506	6.8
139.11168	2.3
141.06961	9.2
142.07761	21.6
143.08528	41.9
144.09329	13.2
145.06465	5.8
145.10095	63.4
146.07254	3.1
146.10832	3.0
147.08026	26.6
147.11658	13.1
149.09573	19.4
151.07510	17.3
151.11182	2.2
153.06967	4.3
153.09114	2.3
154.07765	3.6
155.08522	15.8
155.10614	2.5
156.09323	17.9
157.10098	69.4
158.10858	12.0
159.08025	15.9
159.11659	33.1
160.08759	6.4
160.12460	2.3
161.09596	25.8
161.13217	6.2
163.11153	22.3
165.06955	7.5
165.09081	43.3
166.07768	2.6
167.08566	10.0
167.10629	10.9
168.09322	6.9
169.10068	23.5
170.10841	8.6
171.08086	4.0
171.11659	38.3
172.12355	7.6
173.09601	15.7
173.13164	13.1
174.10387	3.8
175.11147	27.2
175.14688	4.9
176.11919	4.1
177.09042	3.0
177.12700	4.9
179.08496	10.0
179.10620	6.7
180.09241	5.4
180.11389	3.1
181.10094	16.2
181.12195	24.3
182.10832	10.0
183.11659	23.1
184.12480	4.5
185.09608	4.7
185.13223	24.9
186.10286	2.7
186.13925	2.3
187.11143	9.1
187.14792	6.3
188.11807	2.1
189.12653	13.7
190.13474	8.0
191.08586	1.8
191.10649	5.0
191.14273	8.2
192.09319	3.2
193.10226	11.2
193.12187	10.1
194.10841	8.6
194.13057	6.6
195.11670	25.6
195.13646	5.0
196.12408	6.5
197.09596	5.2
197.11594	4.9
197.13225	18.7
198.10332	2.6
198.13905	2.3
199.11127	9.7
199.14824	8.5
201.12769	10.3
203.10481	2.0
203.14265	27.1
205.10217	4.6
205.12071	3.0
206.10898	4.4
207.11652	16.2
207.13776	20.6
208.12531	4.9
208.14548	8.2
209.13220	14.4
209.15300	4.9
210.13992	4.4
211.11165	7.1
211.14801	13.0
212.11949	3.6
213.12662	10.5
215.10539	2.6
215.14194	3.3
216.14822	2.5
217.10060	2.5
217.12094	2.4
217.15739	2.8
218.16634	2.2
219.11642	5.9
219.13754	5.7
220.12390	2.3
221.13219	13.8
221.15285	100.0
222.15752	3.2
223.11136	5.6
223.14731	9.2
224.15489	2.6
225.12727	9.9
225.16316	6.2
227.14330	3.5
229.12234	3.1
229.15741	3.5
231.11685	2.5
233.13181	8.6
233.15343	20.0
234.13959	3.4
234.16104	14.6
235.14763	9.3
235.16817	3.6
237.12674	3.6
237.14626	35.6
237.16843	3.0
239.14166	4.8
239.17970	3.7
241.15869	3.7
243.13741	3.1
245.13264	2.4
246.13840	3.1
247.14703	4.9
247.16914	13.5
248.13855	10.5
249.16393	8.9
251.14281	5.1
251.18158	3.9
253.15750	5.5
255.17398	21.6
259.14557	3.5
261.16263	6.0
263.17953	4.2
265.19342	2.7
267.17438	4.8
269.18994	4.1
270.19632	3.7
271.17032	9.5
273.18524	5.0
274.19290	15.0
279.17358	4.7
281.15610	3.2
281.18918	10.2
285.18396	7.6
286.19312	16.4
287.20160	11.5
289.19583	3.7
294.19696	3.0
295.20276	3.8
297.18427	5.3
299.20053	13.5
303.19525	43.3
307.20392	2.3
309.18417	2.1
311.19968	9.1
312.20831	11.2
313.21634	19.0
325.21552	41.2
337.21634	12.4
347.23776	4.3
352.23904	88.8
353.24796	2.3
359.23685	4.0
364.23810	3.3
365.24701	45.6
374.26074	2.2
377.24667	7.8
378.25327	3.2
383.25714	10.4
391.26361	3.0
420.30179	4.0
440.28439	2.1
454.30670	3.9
487.32272	3.6
502.34296	8.4
503.34753	4.3
505.32803	5.4
507.34598	40.3
508.35016	4.7
520.35425	53.0
521.35840	2.4
567.38196	3.9
582.40570	5.9
583.41144	7.5
585.39130	9.3
600.41620	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67757	0.2
57.03403	0.2
61.02916	0.2
69.03392	0.7
71.17224	0.5
79.05487	0.2
81.03413	0.3
83.00762	0.2
85.02883	1.3
89.07285	0.2
91.05466	1.0
97.02859	1.0
97.06487	0.4
105.07007	0.8
107.04932	1.4
115.05399	1.0
116.06254	0.3
117.06998	0.6
121.06493	0.4
123.04410	0.2
127.03905	0.3
128.06216	1.5
129.06993	4.5
130.20325	0.2
131.04886	0.5
131.08549	5.5
132.05652	0.2
133.06467	0.9
133.10109	0.5
137.05962	0.7
137.09727	0.2
141.06973	1.6
142.07726	0.6
143.08530	1.2
144.05679	1.6
145.02800	0.6
145.04922	0.3
145.06459	2.0
146.07246	0.6
147.04385	0.5
153.06966	0.6
156.05615	0.4
157.06474	2.5
158.07222	0.5
159.08032	9.8
160.08600	0.2
161.05946	0.8
161.09590	2.3
162.07632	0.5
165.09076	0.2
167.07004	1.8
169.06488	0.3
169.07611	0.8
170.07285	1.9
171.08005	1.9
172.05098	0.6
173.05931	1.4
174.06693	0.5
175.07503	1.1
177.05453	1.4
178.06187	0.6
180.08652	1.3
186.06682	0.3
187.07516	8.0
188.08194	0.3
189.05475	0.6
189.09070	3.9
190.06212	0.4
191.07001	0.5
192.07758	0.4
193.08542	0.3
198.06725	0.6
199.07428	1.2
200.08264	0.2
201.05435	0.4
202.90065	0.2
203.07033	1.2
204.07793	4.6
205.08572	0.9
206.09366	0.7
216.07751	1.5
217.08578	0.5
218.09332	0.6
219.10136	2.0
221.08023	0.3
221.11685	1.2
231.10149	3.1
233.11665	0.4
234.08842	0.4
237.11256	1.0
249.11183	100.0
250.11530	2.1
250.14268	0.6
267.12280	2.3
347.15771	0.2
356.99765	0.3
409.95306	0.2
420.37061	0.2
432.13995	0.2
564.14276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46226	3.1
53.03912	7.7
55.05503	19.7
57.07065	37.6
65.03923	3.6
67.05494	33.2
69.03394	12.3
69.07050	21.6
69.69448	21.5
71.04960	4.0
71.08601	18.3
73.06548	4.4
79.05473	35.8
81.07037	45.6
83.04953	14.0
83.08602	14.8
85.06544	7.0
85.10156	11.3
87.04446	6.8
87.90871	2.7
89.06017	77.0
91.05454	48.9
93.07029	63.5
95.04948	29.8
95.08588	35.3
97.06492	10.9
97.10162	3.9
98.20776	3.9
99.11705	3.6
105.07004	100.0
107.08573	71.9
109.06479	25.0
109.10123	32.0
111.11681	3.0
113.06003	4.5
113.09657	4.1
115.05411	8.4
117.06988	31.6
119.04916	3.2
119.08549	86.2
121.06477	10.3
121.09309	4.7
121.10117	57.2
123.08057	38.8
123.11680	6.6
125.09576	14.8
128.06146	16.0
129.06984	23.8
130.07735	8.0
130.08611	3.7
131.08543	58.2
132.09338	3.8
133.06502	8.7
133.08575	45.1
133.10092	49.9
134.10869	3.9
135.08044	16.2
135.11635	11.3
137.09599	11.1
139.11139	9.4
140.45287	2.8
141.06978	12.9
142.07730	32.3
143.08545	59.9
144.09325	16.5
145.06477	8.8
145.10098	71.9
147.08035	19.4
147.11662	20.6
149.09612	22.7
149.13219	5.2
150.10379	3.1
151.07509	8.8
153.06944	5.1
154.07645	7.4
155.08507	23.2
155.10652	10.6
156.09354	26.4
157.10094	78.8
158.10841	13.4
159.08009	20.6
159.11676	47.1
160.08772	5.6
161.09589	17.8
161.13231	11.3
163.11137	9.3
165.06973	7.5
165.09085	12.4
166.07663	6.4
167.08507	12.6
167.10593	16.4
168.09389	4.5
169.10100	33.3
170.10860	18.0
171.08002	4.3
171.11633	44.2
172.08931	3.5
172.12413	4.6
173.09589	13.7
173.13242	27.8
175.11070	16.6
175.14738	11.0
177.11247	22.1
177.12585	5.5
178.07724	4.0
179.08531	15.1
180.09296	5.0
180.26695	2.9
181.10080	21.8
181.12115	9.3
182.10867	12.4
183.11664	36.1
184.12411	5.4
185.09604	4.2
185.13182	27.9
186.13896	4.6
187.11163	9.0
187.14781	10.5
189.12709	8.5
190.13504	7.1
191.14241	5.6
192.09435	4.3
193.10051	19.9
193.11794	4.3
194.10873	13.9
195.11659	36.8
196.12421	12.9
197.13220	35.1
198.10324	5.3
199.11115	11.6
199.14778	14.1
201.12630	7.5
201.16226	3.8
203.14265	16.3
205.10179	5.0
206.10901	9.6
207.11642	16.3
207.13634	6.5
208.12405	11.3
209.13225	29.4
210.14034	5.9
211.11179	7.4
211.14798	26.2
213.12680	11.4
213.16312	6.2
215.14272	13.7
217.10059	3.9
217.15865	4.1
218.16576	7.1
219.11629	8.5
220.12430	8.5
221.13280	19.5
221.15187	21.2
222.14052	7.4
223.14778	16.9
224.15540	4.5
225.12701	8.6
225.16335	11.6
227.14191	9.2
231.11684	6.8
232.12460	5.4
233.13190	9.0
233.15321	27.0
234.13969	5.2
234.16145	9.4
235.14732	14.9
236.15504	4.9
237.16399	19.3
239.14476	4.5
239.17911	5.9
245.13162	6.7
247.14796	8.7
249.16310	9.0
251.17836	6.8
255.17435	41.6
257.24814	6.6
259.14603	4.2
261.16348	10.8
263.17871	9.2
265.16251	3.6
265.19455	8.4
267.17358	4.1
268.18259	4.4
269.18921	6.7
270.19839	7.0
273.18488	8.1
277.15625	3.5
277.19220	4.1
279.17093	6.6
281.18820	7.2
281.34134	3.7
285.18484	5.4
295.20364	6.0
297.18353	4.7
299.20169	7.6
301.27289	5.1
307.20605	4.4
315.21072	4.0
347.23782	5.2
355.24405	3.9
360.24313	4.8
365.24606	8.7
383.25635	14.0
415.25024	10.7
420.29672	3.9
549.37109	4.6
583.43774	8.2
600.41016	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
61.02897	0.2
69.03414	0.6
69.85261	0.1
70.28738	0.5
81.03397	0.4
85.02896	1.4
87.78132	0.1
91.05473	0.9
97.02870	0.7
105.07024	0.4
107.04929	0.4
115.05399	0.8
116.06215	0.2
117.06998	0.7
127.03896	0.3
128.06197	1.3
129.06015	0.2
129.06985	3.8
131.04878	0.3
131.08553	5.0
132.05678	0.2
133.06432	0.7
133.10120	0.2
141.06992	1.2
142.07738	0.3
143.04822	0.2
143.08546	1.2
144.05675	1.5
145.04948	0.2
145.05434	0.1
145.06476	1.1
146.07225	0.6
147.04326	0.3
152.06137	0.2
153.06982	0.5
155.06017	0.2
156.05656	0.4
157.06471	2.0
158.07228	0.5
159.08029	9.7
161.05956	0.6
161.09601	2.3
162.07556	0.2
162.95778	0.1
167.07013	0.5
169.06334	0.2
169.07718	0.8
170.07240	1.5
171.08023	1.7
172.05138	0.8
173.05983	1.1
174.06741	0.7
175.07515	0.7
178.06178	0.3
180.08661	0.3
184.05185	0.2
185.05876	0.2
186.06662	0.2
187.07515	6.5
188.08287	0.5
189.05484	0.4
189.09084	3.1
190.06274	0.4
191.07013	0.4
192.07869	0.2
193.08562	0.3
198.06657	0.7
199.07433	1.0
201.05411	0.2
203.06947	0.9
204.07797	4.3
205.08566	0.6
206.09328	0.6
207.09998	0.2
216.07787	1.4
217.08549	0.4
218.09346	0.5
219.10118	1.8
221.08112	0.4
221.11729	1.1
231.10150	2.1
233.11542	0.2
234.08701	0.3
237.11148	1.0
249.11179	100.0
250.11546	1.2
267.12247	5.7
394.50937	0.2
411.16501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05500	4.9
57.07065	5.1
59.04980	2.1
59.47957	0.8
62.34280	0.6
65.03919	1.4
67.05486	8.8
67.23790	0.8
69.03422	8.1
69.07063	4.5
70.05785	1.6
70.06183	1.5
71.04963	1.1
79.05476	9.4
81.03397	2.2
81.07043	14.7
83.04974	4.1
83.08579	1.3
85.06519	3.7
91.05465	15.0
93.07031	19.4
95.04950	6.8
95.08598	13.2
97.06497	4.1
97.10143	1.2
103.27035	0.9
105.07008	21.5
107.04955	1.4
107.08584	11.1
109.06487	6.2
109.10168	6.2
111.08034	1.7
115.05430	1.2
117.07009	4.5
117.22311	0.7
119.04945	1.1
119.07681	1.0
119.08553	21.6
121.06488	3.4
121.10129	13.4
122.07327	0.9
123.08044	11.6
123.11671	2.2
125.05978	2.3
125.09602	1.0
128.06245	2.4
129.06982	4.5
130.07805	1.1
131.08530	9.7
133.06477	2.5
133.10104	11.3
135.08023	9.3
135.11664	4.8
137.05959	1.7
137.09576	11.9
139.07484	1.7
141.06970	2.1
142.07729	4.2
143.08543	10.7
144.09280	1.8
145.06471	0.8
145.10106	14.5
147.04395	3.3
147.08022	24.2
147.11665	3.9
149.09584	4.0
151.07529	9.2
151.11125	0.7
153.06902	1.0
153.09082	0.9
154.07736	1.2
155.08511	5.2
156.09344	5.3
157.10109	16.0
158.10939	0.7
159.08008	4.4
159.11664	8.4
160.08847	0.7
161.09572	4.8
161.13228	6.0
163.11163	8.1
165.09085	50.6
166.07788	0.8
166.09492	1.2
167.08569	1.9
167.10687	1.9
168.09299	2.8
169.10094	7.0
170.10899	2.9
171.11670	9.4
173.09615	4.2
173.13249	3.5
175.11192	2.6
175.14841	1.6
177.09052	2.1
177.12715	2.2
179.08574	1.8
180.09398	1.3
181.10162	3.5
181.12186	7.2
182.10898	1.8
183.11664	11.9
185.09665	1.4
185.13205	5.8
187.11188	3.1
187.14873	2.0
189.12665	4.6
191.10703	3.3
191.14381	1.7
193.10097	2.1
194.10880	1.6
195.11656	3.7
195.13766	1.1
196.12363	1.1
197.09511	0.8
197.13167	3.8
199.11217	1.8
199.14854	2.3
200.11961	1.1
201.12642	1.8
203.14276	18.0
207.11685	2.2
207.13795	6.0
208.12485	1.1
209.13319	3.7
209.15056	1.0
211.11273	2.2
211.14786	4.8
212.12024	1.0
213.12706	2.2
215.14214	1.2
221.15318	100.0
222.15779	1.8
223.11194	1.7
223.14799	2.4
225.12683	1.3
225.16283	1.0
227.14375	1.2
227.17915	0.9
229.12335	0.9
229.16058	1.3
231.13759	1.1
233.13246	1.6
233.15443	2.4
235.14748	2.1
235.16931	0.9
237.16389	1.3
247.16890	15.2
249.16507	1.1
259.14761	0.8
261.16208	1.3
269.18997	1.0
273.18784	1.0
281.19046	1.6
285.18695	1.3
286.19186	1.4
287.20050	6.8
295.20551	0.8
299.20120	6.3
301.21652	1.5
311.20132	1.4
313.21625	2.1
325.21616	1.3
327.23212	2.4
365.24670	5.1
373.25171	1.5
391.26239	9.6
413.27017	1.7
419.29620	2.7
424.18582	0.9
427.28452	5.5
441.30093	1.6
453.29901	1.4
507.34659	9.7
519.35016	2.8
539.22717	1.4
581.39734	2.5
599.26471	9.0
599.40839	85.7
600.25861	0.9
600.41095	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	599.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01854	1.7
55.05499	9.5
57.03446	1.4
57.07057	5.8
59.04990	3.2
65.03950	1.5
67.05490	20.3
69.03423	10.2
69.07045	8.5
71.04977	2.8
71.63132	1.5
77.03946	1.0
79.05479	15.2
81.03393	8.5
81.07042	21.0
83.04951	9.6
83.08595	6.1
84.08791	1.1
85.02869	1.2
85.06541	5.0
91.05460	21.5
91.05996	1.5
93.07027	27.8
93.60126	1.2
95.04945	12.5
95.08582	17.5
97.02856	2.1
97.06522	4.8
97.10155	2.7
99.04433	1.6
103.05447	1.1
103.36572	1.2
105.07007	32.1
107.04941	4.4
107.08572	25.8
108.08965	1.2
109.02838	1.1
109.06507	9.6
109.10136	14.5
111.04422	3.3
111.08065	3.6
113.09605	1.4
115.05422	2.9
116.06264	1.3
117.06998	8.2
118.93822	1.1
119.08552	32.6
121.06452	7.6
121.10118	25.7
122.07249	1.6
123.04367	2.5
123.08046	12.2
123.11737	2.4
125.05995	4.1
125.09615	6.5
127.03879	1.2
128.06160	2.8
129.06976	9.2
130.07768	2.6
131.08533	18.3
133.06509	3.6
133.10107	16.7
135.08035	11.4
135.11646	9.4
137.06009	1.4
137.09583	7.2
139.07500	1.3
141.07024	3.0
142.07745	10.1
143.08527	19.4
144.09344	4.6
145.06482	2.7
145.10094	22.6
146.07246	1.5
147.07996	13.1
147.11682	6.9
149.09589	12.8
151.07503	10.2
151.11162	2.0
153.06924	1.9
153.09116	1.5
155.08549	9.4
155.10696	1.2
156.09343	10.9
157.10089	23.9
158.10902	3.3
159.08038	9.5
159.11649	14.0
161.09595	6.9
161.13190	4.1
163.11107	7.4
165.07016	1.9
165.09077	15.8
167.08528	4.5
167.10645	14.1
168.09265	2.8
169.10072	10.8
170.10898	5.6
171.08078	2.3
171.11664	15.2
172.12396	1.4
173.09610	3.6
173.11819	2.0
173.13261	7.9
174.10368	1.3
175.11197	5.1
175.14809	2.3
177.12718	1.8
179.08463	5.7
179.10742	1.9
180.09378	1.4
181.10144	6.1
181.12216	3.5
182.10905	3.2
183.11678	11.5
184.12622	1.1
185.09602	3.3
185.13205	6.8
187.11179	4.1
187.14868	1.5
189.11258	1.9
189.12767	6.8
191.08531	1.2
191.10646	1.2
191.14417	2.1
191.98047	1.1
192.09308	1.6
192.11449	1.5
193.10143	5.3
193.12056	1.4
194.10913	3.0
195.11685	9.4
195.13530	1.7
196.12454	3.5
197.09743	1.4
197.13176	8.9
199.11218	3.5
199.14832	3.6
201.12717	3.6
203.14290	6.9
205.10172	1.5
207.11725	7.6
207.13828	7.8
208.12509	4.3
209.09755	1.4
209.13286	9.7
209.15369	3.0
211.11246	2.7
211.14798	4.5
213.12723	3.9
213.16518	1.4
215.14357	3.3
217.10120	1.4
217.12331	1.6
217.15831	1.3
219.11754	2.0
220.12448	2.3
221.13260	6.9
221.15388	32.4
222.13869	1.3
223.14850	5.2
225.12787	2.2
225.16411	3.0
227.12740	5.2
227.14603	1.4
231.11653	3.2
232.12364	1.4
233.13190	3.7
233.15303	24.8
235.14830	3.9
235.17006	1.2
236.15695	1.7
237.12837	1.5
237.16618	2.2
239.14316	1.6
241.12404	1.3
245.13242	2.0
247.14778	2.2
247.17030	2.3
249.16449	2.7
251.14375	1.5
251.18008	1.5
255.17688	1.3
259.14667	2.1
259.17068	2.0
261.16281	2.1
261.18750	1.4
263.17844	2.5
264.18442	1.1
265.15771	1.8
269.18994	2.0
273.18698	1.5
281.18924	6.6
283.15225	2.7
285.18512	1.8
286.19278	2.5
289.19482	1.6
299.20010	4.8
311.20309	1.6
325.21567	1.4
364.23907	4.1
365.24915	3.5
373.18491	2.6
373.25238	2.8
377.24750	3.3
391.26437	3.8
415.28281	2.1
437.25449	2.1
441.29794	2.7
443.29556	1.3
489.33389	2.6
493.32904	2.0
507.34592	67.4
508.35287	2.2
581.29663	4.0
581.39862	6.3
599.40863	100.0
600.41370	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	599.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21748	1.3
53.03922	7.4
55.01867	16.4
55.05502	28.8
57.03431	16.6
57.07071	11.4
59.04980	4.2
65.03933	3.2
67.05492	100.0
69.03065	2.6
69.03416	35.5
69.07058	13.6
69.53853	1.4
71.01333	4.8
71.04980	8.9
71.62357	2.1
73.02902	4.2
77.74524	1.4
79.05482	31.0
81.03403	73.2
81.07040	39.3
82.04176	3.1
83.04964	21.5
83.08605	20.5
85.02889	15.9
85.06521	3.8
91.05463	33.0
93.07018	28.9
95.04945	22.6
95.08591	18.9
97.02871	34.1
97.06519	8.4
97.10162	13.9
98.07236	1.5
99.04440	5.9
99.08083	2.0
103.03936	1.9
104.39805	1.5
105.07008	18.7
107.04951	8.3
107.08573	17.3
109.02860	9.9
109.06497	7.3
109.10136	72.4
111.04426	11.4
111.08033	7.4
115.03899	3.5
115.05382	1.5
117.06988	6.1
119.04893	1.9
119.08567	20.9
121.06483	3.4
121.10114	11.1
121.10862	1.9
123.04385	2.0
123.08051	5.5
123.11645	2.5
125.05957	1.4
125.09619	16.2
127.03912	9.4
127.11169	3.7
129.05447	5.1
129.06987	6.2
131.08566	9.3
133.06477	2.6
133.10089	8.3
135.08023	4.9
135.11691	5.7
137.05969	2.3
137.09590	9.1
139.03912	1.9
141.06989	1.8
143.03387	6.2
143.08559	3.4
145.10086	7.8
147.08000	3.5
147.11661	6.1
149.09567	6.4
149.13275	1.7
153.09070	3.0
153.12755	2.8
155.08510	2.3
155.10667	4.0
157.08621	1.7
157.10078	8.3
159.11647	4.1
163.11186	7.7
165.12701	1.9
167.10698	1.6
169.10127	1.8
171.06525	2.3
171.11655	2.1
173.04494	2.0
173.09543	2.4
173.11732	26.9
173.13177	2.3
175.11154	6.2
181.12282	1.7
183.06511	4.5
187.11113	3.1
189.11166	11.7
191.10657	2.2
193.12148	11.8
199.09702	2.1
207.13695	1.8
209.11707	4.2
211.13206	10.0
223.13257	2.5
227.12802	7.7
229.14282	11.2
233.15283	1.8
241.08699	1.5
251.12662	2.4
255.15875	3.8
257.13754	2.9
267.15884	4.1
269.13901	2.4
283.15375	3.5
291.69806	1.7
299.14767	10.1
303.58047	1.5
353.15433	2.3
355.17386	5.8
361.07465	1.6
368.18451	1.5
371.16928	3.4
383.24326	1.9
427.19507	2.2
437.25235	3.8
439.26999	3.3
455.26419	2.0
495.24634	1.6
525.26715	3.2
540.26489	1.4
556.35754	1.6
557.95441	1.5
581.29205	4.8
582.29559	4.6
599.30603	42.1
599.40137	2.4
616.39832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.0
55.01865	5.8
55.05494	5.9
57.03437	2.3
65.03918	4.4
67.01839	2.9
67.05493	13.9
68.99800	4.9
69.03417	15.1
69.07050	4.6
71.04976	2.2
71.62593	1.7
75.04477	2.7
76.78476	1.6
79.05477	18.1
81.03416	14.9
81.07046	12.8
83.04970	3.4
85.02893	11.1
85.06532	2.1
91.05458	16.7
92.99697	1.9
93.03379	2.4
93.07027	52.6
95.04965	9.2
95.08579	11.4
96.31763	1.8
97.02891	9.5
97.06487	1.8
99.04431	2.7
105.07027	13.6
107.04935	62.3
107.08569	15.7
109.02843	8.6
109.06496	2.4
109.10154	24.7
111.04430	6.7
111.08071	3.3
117.07000	2.5
119.04903	12.3
119.08555	25.1
120.05266	2.2
121.02876	9.0
121.06490	4.9
121.10123	73.2
122.10458	2.0
123.04408	13.1
123.08036	4.1
123.11710	2.4
125.05997	2.3
125.09593	3.9
125.67831	1.5
127.03856	11.5
129.07021	2.3
131.04897	2.7
131.08559	4.2
133.06540	2.4
133.10117	4.2
135.04353	8.4
135.08011	3.8
135.11633	2.0
137.02301	3.3
137.05965	4.7
137.09607	7.0
138.05489	2.6
138.09106	8.3
139.03879	48.5
141.01828	12.3
143.08591	2.0
143.10637	3.1
145.02789	2.5
145.04944	2.6
145.06416	2.5
145.10074	5.2
147.04379	47.2
147.05504	3.1
147.08057	2.7
148.04683	12.3
149.02341	9.3
149.04860	2.6
149.05952	3.2
149.09586	17.6
151.03882	7.3
153.01802	47.6
153.02966	3.3
153.05498	1.9
154.02208	1.9
159.08139	2.1
159.11723	2.6
163.03902	17.9
163.11148	2.5
165.01802	100.0
165.05437	2.6
165.09145	2.8
166.05029	3.3
166.08624	11.4
167.03419	4.6
167.07008	8.9
167.10649	10.5
171.02879	16.9
173.02377	1.7
175.07542	2.2
177.01880	4.3
177.05463	7.3
179.03354	21.2
179.06993	2.5
181.04947	6.2
181.06387	2.0
183.02855	89.4
184.03168	2.2
189.01729	8.2
191.03360	4.1
191.10657	6.3
195.02843	18.0
197.00763	3.3
197.06015	2.2
199.07454	2.7
203.03381	6.5
205.01352	3.0
205.04993	5.5
205.08725	1.8
207.02794	8.2
215.06969	11.8
217.04930	1.7
219.02855	4.8
221.04510	2.9
225.03951	3.6
227.06984	4.6
229.05046	2.1
231.02914	3.1
241.04921	2.1
243.06383	8.4
245.04411	1.9
247.05945	2.7
249.03966	3.3
255.06554	14.6
261.03842	3.8
267.06387	3.1
267.09973	1.9
271.05991	5.4
273.03983	4.6
273.07547	10.7
273.11246	3.6
281.13672	1.8
283.05966	36.6
285.07468	2.7
287.05566	3.2
289.06940	21.1
291.12329	3.4
293.13779	5.2
295.05975	7.2
295.09470	2.0
301.07050	80.4
301.10571	8.1
307.06042	10.8
313.06964	3.2
315.08426	2.7
319.11774	2.1
321.07675	2.5
323.09119	3.2
325.07019	12.8
325.10336	2.4
331.08093	3.0
339.08566	2.8
341.10297	5.1
343.07990	3.2
363.08255	3.2
367.07910	3.0
381.13422	4.7
391.08136	5.5
391.15378	4.9
409.08588	3.0
409.16650	5.0
419.14758	8.5
427.13812	7.8
437.16083	9.5
445.14944	11.1
461.15552	2.8
463.15985	6.5
527.16974	2.3
541.75824	1.9
545.17834	5.6
563.18835	6.9
581.19727	5.0
599.21698	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2487
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05493	1.9
55.84169	1.0
57.07043	1.3
67.05484	2.6
69.07052	2.4
71.05090	0.9
79.05481	2.7
81.07035	4.3
83.04955	1.0
83.08574	1.3
87.64066	1.0
89.06030	2.6
91.05466	3.4
93.07020	3.2
95.04965	1.4
95.08588	4.0
105.06977	2.7
107.08582	2.4
109.10133	1.2
113.30845	1.0
119.08558	4.1
121.10121	2.0
123.08096	1.2
131.08560	1.4
133.08627	1.5
133.10110	1.7
143.08485	1.2
147.08026	1.2
157.09981	1.4
165.09119	1.6
203.14236	1.1
221.15387	4.0
235.12305	1.3
237.13879	1.2
251.15450	2.2
279.14960	1.9
325.14807	1.4
326.15961	1.0
328.18042	1.7
338.16104	1.5
339.15942	2.8
340.17505	2.1
352.17831	1.2
353.17676	4.4
354.18423	6.1
355.19061	1.6
358.19107	2.0
362.15088	1.2
363.16156	1.5
364.17020	1.9
365.17703	2.8
367.19147	2.5
368.20016	2.1
369.20709	13.7
375.16385	1.3
377.17685	1.7
379.19159	6.9
380.20261	1.2
381.16852	1.4
382.17725	1.7
391.19498	1.3
395.22809	1.5
397.20245	6.5
405.16431	1.4
405.21060	1.1
409.20303	2.5
419.18216	1.1
423.22195	1.3
424.23068	1.3
425.19614	20.5
437.19882	2.5
438.20630	1.2
439.21335	1.7
440.22031	1.2
441.23010	1.6
451.21246	11.8
452.21936	2.8
453.19498	2.1
455.24463	3.5
456.25192	4.0
462.20184	2.3
467.24301	3.8
468.21417	2.3
469.22342	1.6
483.23840	4.1
484.24640	7.9
493.22705	1.1
497.21805	2.7
511.23065	3.6
512.24060	29.3
513.24310	2.0
521.21393	1.7
522.20502	1.2
539.22754	35.8
540.23474	1.8
550.72711	1.1
566.19550	1.3
571.25092	1.2
599.24890	100.0
599.40881	4.1
600.25330	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	599.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01865	2.3
55.05493	1.2
55.05767	0.4
57.03406	1.2
58.26682	0.4
59.04991	0.5
63.32607	0.3
65.03947	0.6
67.01856	1.9
67.05501	3.7
67.86811	0.4
68.13120	0.3
68.99770	2.5
69.03421	4.6
69.07048	0.5
70.81068	0.4
75.04464	0.7
76.88974	0.4
77.03926	0.5
79.01841	0.7
79.05475	5.6
81.03405	6.0
81.07047	3.7
83.04964	1.2
85.02472	0.5
85.02896	4.4
89.03891	0.9
91.05463	6.6
92.99717	0.5
93.03372	1.1
93.07030	22.3
95.04978	2.6
95.08591	2.9
96.81509	0.5
97.02880	3.3
97.06506	0.6
98.20691	0.7
99.00786	1.1
99.04445	0.8
105.07021	4.1
107.04946	2.1
107.08585	4.7
109.02874	3.4
109.06479	0.9
109.10143	7.9
111.04417	1.8
111.08048	0.7
116.06256	0.4
117.03342	1.2
117.06981	0.9
119.04935	1.0
119.08566	7.9
121.02806	1.1
121.06489	1.1
121.10126	26.3
123.00772	0.6
123.04425	4.2
123.08033	1.2
125.02370	0.6
125.09587	0.6
127.03850	1.4
129.07024	0.6
131.04903	0.9
131.08556	2.1
133.06413	0.5
135.04402	4.3
135.07993	0.5
137.02325	3.5
137.05949	3.9
137.09575	1.4
139.03873	1.5
141.01810	7.0
143.08482	0.5
145.02788	2.3
145.04927	0.8
145.10120	0.6
147.04376	4.8
147.08034	0.7
147.11786	0.4
148.04750	0.7
149.05939	0.7
149.09598	9.8
151.03874	0.9
153.01804	23.8
159.04427	0.6
161.02351	0.9
163.03880	22.5
165.01811	100.0
166.50270	0.4
167.07057	0.4
167.10608	3.6
169.10095	0.5
171.02869	11.2
175.03816	0.7
177.01773	1.9
177.05415	1.1
179.03380	7.9
183.02864	66.0
184.03156	0.5
187.03848	0.5
189.01820	3.9
191.03380	4.7
191.10719	0.5
195.02864	8.2
197.00813	0.8
197.04442	0.6
198.76093	0.4
203.03380	2.4
205.01251	1.6
205.04939	4.8
207.02861	7.9
215.03397	1.2
217.04921	0.6
219.02849	2.3
219.06474	0.4
221.04436	0.9
225.03940	2.8
227.03293	1.1
231.02844	3.5
233.04379	0.8
243.02905	1.0
245.04468	1.4
245.08061	1.0
247.05995	0.8
249.03903	1.1
255.02858	1.3
257.04431	0.5
259.06000	1.1
261.03879	2.5
273.03973	2.8
273.07733	0.7
273.11063	2.7
283.06055	1.2
283.09549	0.8
288.58240	0.5
289.07016	22.4
291.04965	1.1
291.11929	0.6
293.13855	2.8
299.05212	0.4
301.07040	76.1
302.07474	0.7
311.14844	0.9
313.07065	2.5
315.05112	0.7
315.08621	1.0
319.11780	0.8
325.07022	10.1
325.10474	0.6
331.08029	2.2
339.08481	0.7
341.10184	3.2
343.08105	4.1
343.11810	0.7
355.08325	0.9
367.08093	5.2
367.12137	0.7
379.08249	1.0
381.13501	2.4
383.14545	0.5
391.07880	0.8
397.09375	2.0
409.08594	3.4
409.16656	4.1
419.14951	0.7
427.14371	3.0
437.15948	8.3
445.15009	4.6
449.16251	0.5
455.17032	0.6
461.16016	0.7
463.15652	1.1
467.17017	1.0
479.16913	0.8
503.17035	0.7
517.17780	0.7
527.16943	0.5
545.18201	2.6
563.19092	1.9
581.19989	1.7
599.21637	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
53.03936	0.8
55.01855	0.9
61.02902	2.4
62.14911	0.6
63.00863	0.6
69.03409	2.3
69.68817	3.5
69.69249	2.1
73.02907	0.9
77.98669	0.8
79.05472	3.0
81.03404	11.2
81.07019	1.3
85.02889	9.8
91.03915	1.1
91.05441	1.8
95.04965	1.6
97.02833	2.4
103.05449	2.2
105.07008	1.6
107.04940	10.3
115.05410	5.2
117.06999	14.4
119.08604	0.8
123.04395	1.9
124.05198	0.8
127.03872	1.3
129.06970	2.4
130.04160	0.8
131.04855	0.8
131.08546	2.7
133.06416	2.0
135.11661	0.9
141.06947	2.1
144.05634	3.3
145.04924	1.9
145.06453	31.9
147.04333	1.5
152.04657	1.0
153.05391	0.9
155.04880	1.2
155.05969	3.8
156.05675	5.5
157.06479	1.8
159.08044	4.9
161.05939	4.7
167.07008	46.9
173.05957	56.8
175.07469	1.1
180.08684	5.4
181.04922	1.4
184.05147	1.5
187.07484	4.9
190.06215	33.3
191.06984	1.7
193.08553	1.9
202.06166	3.4
203.06967	6.7
204.07886	0.9
205.08563	100.0
206.08847	1.9
207.06558	1.1
215.07007	1.2
217.08560	42.3
218.09001	1.1
219.08281	0.9
219.10017	4.3
223.09615	3.9
233.09599	1.2
235.09596	34.2
247.07504	1.1
247.09645	6.4
248.08157	1.3
257.11771	0.8
263.10681	1.4
264.07730	1.2
265.10666	43.2
269.08066	1.4
271.09619	1.3
275.06937	0.9
279.10342	1.3
291.10184	1.8
293.07953	1.2
307.09464	1.6
308.10617	1.0
315.08627	4.4
321.07379	1.1
323.09232	0.8
323.12836	3.3
330.10968	7.7
331.11710	3.4
339.12112	1.9
351.12155	3.3
371.14819	3.4
383.14844	11.8
401.15912	17.1
554.65558	0.8
625.35156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.3
55.01860	3.8
55.05501	24.5
57.03428	10.3
57.07069	2.2
59.04980	2.2
64.08802	1.9
65.03922	3.2
67.05495	89.2
69.03417	21.3
69.07051	12.8
70.98303	3.9
70.98643	3.2
71.04977	5.5
73.06565	1.8
77.74519	1.6
79.05481	50.4
81.03408	38.1
81.07048	47.0
83.04973	22.1
83.08598	12.6
85.02880	5.3
85.06528	4.7
91.05467	47.0
91.06004	3.9
91.35175	1.6
91.79382	1.7
93.07029	49.0
95.04953	16.9
95.08593	26.7
97.02884	9.4
97.06496	4.1
97.10155	8.2
99.04431	4.8
105.07011	27.7
107.04933	3.6
107.08574	20.3
109.02869	8.7
109.06504	5.3
109.10142	51.9
111.04414	6.8
111.08041	3.4
117.07013	8.2
119.08570	24.0
121.06458	2.7
121.10143	8.9
123.08039	4.9
125.05915	1.8
125.09600	5.0
127.03902	14.0
128.06224	2.3
129.05440	7.0
129.06978	13.1
131.08553	5.9
133.10123	10.4
135.08061	2.5
135.11696	3.2
135.44464	1.9
137.09619	3.8
143.08539	7.6
145.10097	11.0
147.04437	2.1
147.08003	2.7
147.11652	28.6
155.10675	3.8
157.10023	1.8
161.09587	3.5
161.13242	7.7
169.10063	2.7
171.10327	2.8
171.11652	16.1
173.04411	2.3
173.11728	17.0
173.13223	3.3
185.13281	1.9
189.11143	3.6
189.12708	5.3
193.10110	1.8
199.67087	1.8
201.93173	1.7
207.13780	22.0
209.11589	2.0
211.13223	3.9
227.12769	3.5
229.14253	12.2
233.13026	2.2
262.22366	2.4
281.17465	48.8
299.14944	6.6
302.23999	1.9
337.16446	2.9
337.27197	6.1
349.69806	1.7
355.17456	6.6
373.18478	33.1
377.35065	2.0
405.77359	2.0
435.27356	100.0
436.27692	3.9
444.85788	2.1
574.36487	6.7
579.31500	68.9
580.31665	4.9
597.38879	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	598.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01865	2.4
55.05495	4.2
60.14228	2.1
61.02915	3.3
61.10486	2.2
67.05482	5.2
69.03410	9.7
69.07047	6.3
69.79203	13.6
71.04965	11.3
74.08796	2.2
79.05477	11.3
81.03407	21.9
81.07044	34.3
83.08604	3.7
85.02885	19.4
91.05466	6.2
93.07020	16.7
95.04951	4.7
95.08598	10.2
97.02892	10.1
99.04434	3.8
103.05459	3.0
105.06994	16.9
107.04928	10.3
107.08584	21.5
109.02864	5.8
109.10127	13.4
109.60058	1.9
114.69733	1.9
115.05482	6.0
116.33018	1.9
117.06989	14.0
119.04954	6.0
119.08558	22.1
121.10142	4.7
123.04443	7.1
123.08042	2.2
123.11703	6.9
125.09630	3.4
127.03892	12.7
127.11185	7.4
128.04211	3.0
129.07010	3.1
131.08548	5.1
133.06479	5.7
133.10133	16.6
135.11667	39.8
137.05963	6.0
137.09593	6.1
137.13181	2.0
139.03893	3.5
143.10638	14.5
145.04982	6.5
145.06476	33.9
145.10069	4.1
147.04401	28.6
147.11638	11.0
148.04706	5.1
149.13210	3.6
153.12744	14.2
155.05907	2.4
156.05611	5.1
159.08041	6.2
161.05994	6.4
161.09581	2.0
161.13226	6.1
163.03854	3.8
163.06055	2.8
165.09117	3.6
167.07008	52.6
173.05956	54.2
177.05511	2.0
180.08696	3.5
181.04941	5.6
183.06396	2.8
187.07608	4.7
190.06229	32.5
190.07793	4.3
191.06905	3.0
193.08546	3.4
202.06200	3.4
203.06944	4.8
203.17908	23.7
205.08560	100.0
217.08569	42.0
219.10190	4.0
221.18974	46.9
223.09677	3.7
235.09601	32.7
235.75972	2.1
239.20039	4.7
247.09634	7.1
259.43710	2.1
265.10693	42.0
266.11029	2.8
304.37369	2.2
315.08588	3.3
330.10995	5.6
331.11575	3.5
351.12320	5.6
371.14542	2.7
383.15015	12.7
401.15887	14.4
425.22897	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.0
57.07056	1.3
59.91952	0.7
61.02910	1.6
61.27524	0.7
63.05272	0.7
66.84617	0.8
67.05457	0.8
69.03418	5.7
69.88443	4.3
69.88853	1.5
73.02905	1.5
76.63467	0.8
81.03395	2.7
85.02894	13.9
85.06531	4.8
91.03913	1.0
97.02875	7.7
98.21486	1.0
98.97557	1.7
101.00885	1.9
107.04976	1.0
109.02885	1.4
110.06047	0.9
112.07572	1.3
119.01916	7.2
119.04919	1.7
121.02835	2.9
123.04298	0.9
127.03880	4.4
131.01828	4.2
131.04813	1.0
136.06122	0.9
137.05945	5.8
139.03767	1.0
143.01889	8.6
144.01949	0.9
145.03464	5.1
145.04898	4.9
147.04390	3.7
151.07530	1.3
155.01854	5.7
156.02663	1.6
157.03401	3.8
158.06554	2.5
158.99507	1.0
160.07622	1.6
161.02946	13.1
161.06602	1.3
162.05475	3.8
163.03934	3.3
167.06984	4.3
170.06691	0.9
171.05038	1.5
173.02951	9.0
173.06862	0.8
174.05484	2.0
175.04514	2.4
176.07709	1.5
177.05453	1.1
179.01979	0.8
179.04092	1.4
181.08524	1.9
183.05006	1.1
185.02960	2.7
185.06621	7.0
186.06084	1.6
187.04459	1.1
187.08109	1.1
188.07645	2.0
189.06012	1.5
190.04933	1.9
191.08096	5.9
195.05081	1.2
197.06516	7.6
197.08002	1.0
199.08122	1.7
203.03967	14.0
203.07608	4.0
209.06506	1.4
211.08031	0.9
212.07571	2.8
213.06033	3.1
215.07597	3.0
219.01671	1.2
221.05005	61.5
222.05246	1.4
224.07639	2.7
225.06088	1.7
226.09256	1.6
227.07616	3.8
229.09227	1.0
237.02925	1.5
239.07817	4.4
242.08833	1.6
243.11809	0.9
244.04228	1.9
244.06628	1.7
245.05016	3.0
245.08856	1.1
247.06421	1.0
251.12344	4.0
257.08710	2.6
258.05991	0.9
261.04221	1.1
263.12354	2.4
269.08652	4.9
269.13385	2.6
272.08078	2.2
272.58200	2.2
273.08133	4.1
275.09738	9.2
276.07135	2.9
281.13419	10.6
287.09692	49.8
288.09833	1.0
291.09131	1.6
296.09866	1.2
303.04947	5.5
305.10757	73.1
306.08115	7.5
306.10983	1.2
308.60614	1.0
314.10828	5.7
319.08786	1.2
323.11404	1.9
323.61630	2.4
324.09000	2.3
327.08908	1.3
328.12460	2.9
332.61823	1.2
333.10242	100.0
334.10522	2.0
335.10086	0.9
337.09723	1.5
345.09991	1.0
348.06747	1.7
351.11334	26.3
354.25562	0.9
374.12878	4.2
399.10965	1.1
465.10300	1.1
468.13379	4.1
486.14505	3.6
525.16504	2.8
597.20325	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1803
Annotation	5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside
Peak:m/z	Relative Intensity
53.03921	0.5
55.01846	0.5
57.03423	1.5
61.02909	0.9
67.01846	1.4
68.99794	1.1
69.03424	3.0
69.07055	0.5
71.04969	0.6
71.62039	0.7
79.05473	0.6
81.03406	2.2
85.02888	13.5
91.03946	0.5
91.05458	2.9
93.07069	0.4
95.04955	0.8
97.02871	3.1
99.04429	1.1
102.64007	0.4
105.06988	0.5
107.04928	1.8
109.02856	2.7
109.10094	0.4
119.04916	5.2
121.02834	1.2
121.06466	1.3
123.04412	1.7
125.02361	0.3
127.03893	4.5
129.01842	0.5
133.10121	0.5
134.10477	0.4
135.04211	0.4
135.36281	0.4
137.05917	0.8
142.48010	0.4
144.38712	0.4
145.04950	2.2
145.06030	0.3
145.06448	0.4
147.04385	33.8
148.04779	0.4
151.03874	0.5
153.01801	46.7
161.05869	0.5
163.03870	1.5
163.05989	0.4
163.07465	0.5
165.01797	4.5
167.06989	2.3
169.04916	1.1
171.02850	10.4
173.05899	0.7
177.01805	2.3
179.03381	1.2
181.04974	0.8
183.02846	3.2
184.16769	0.4
187.06065	0.6
189.01933	0.6
189.05472	0.5
191.03342	2.9
191.06934	0.6
193.08549	0.3
195.02859	17.5
203.03358	0.6
205.08594	0.9
215.03371	0.4
217.08484	0.7
219.02864	6.4
229.07047	0.5
231.02843	3.5
233.01025	0.4
233.07994	0.4
235.09706	0.4
243.02882	0.8
249.03940	1.3
255.06369	0.4
261.03934	4.2
265.10638	0.4
273.07520	100.0
274.07928	2.8
279.04868	0.8
285.07544	5.4
297.07870	3.0
315.08563	7.2
339.08578	6.1
351.08728	1.7
363.08401	0.9
369.09604	1.4
381.09637	3.0
399.10617	3.1
417.11426	2.5
435.12967	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.18
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
52.96411	1.6
55.01854	6.9
57.03415	4.7
65.03925	2.4
67.05479	1.9
69.03413	3.8
69.07076	1.5
69.70007	3.8
69.70415	9.3
73.02881	3.2
79.05463	2.3
81.03394	4.3
83.01302	2.3
83.04950	1.8
85.02889	19.6
91.05467	2.8
93.03403	9.1
95.01340	2.3
95.04922	4.2
96.18632	1.6
97.02863	8.8
98.20703	1.9
103.03911	2.9
103.05447	2.3
105.03347	4.9
105.06982	2.1
107.04945	15.6
109.02857	13.2
111.00771	2.3
111.04426	3.3
115.03931	1.9
119.04893	7.7
121.02837	15.8
121.06441	7.5
123.04406	9.3
127.03889	4.0
129.05478	1.8
129.06961	2.2
131.04890	4.0
133.04927	2.4
133.06442	5.0
135.04370	14.4
137.02321	5.0
137.05899	3.5
137.09605	3.1
139.03893	4.8
143.04921	1.9
145.06389	2.8
147.04393	17.8
149.02328	4.4
149.05945	2.0
151.03896	4.5
153.01793	12.6
159.04384	6.4
161.02301	2.2
161.05951	6.2
163.03862	7.4
165.01842	6.6
165.05496	2.8
165.08974	1.7
165.23148	1.7
167.07001	3.1
171.04376	1.9
173.02313	3.8
173.05920	6.4
175.00214	1.6
175.03882	5.1
175.07474	2.1
177.01767	11.6
177.05391	7.9
179.03328	1.8
181.04883	2.6
183.02873	3.8
185.05994	2.9
187.03841	8.5
189.01787	17.3
189.05489	3.0
191.03314	12.1
192.66574	1.7
193.01320	2.3
195.02841	26.3
197.05971	1.9
199.03874	3.6
201.01871	5.4
201.05394	12.8
203.03366	10.7
203.06950	1.8
205.01271	5.1
205.04900	8.0
207.02849	32.4
209.04344	2.9
215.03314	9.5
215.06941	2.0
217.04880	3.8
219.00682	3.5
219.02832	72.0
220.02908	1.6
221.00679	3.1
221.04303	3.6
223.02332	7.5
225.03827	21.9
227.03326	4.9
229.04903	13.8
231.02826	33.9
233.04385	12.1
233.08153	1.7
237.03934	15.8
239.03474	2.5
241.01111	2.2
243.02855	19.9
243.06529	3.4
245.04395	7.1
247.05974	4.8
249.03918	16.6
253.04924	2.4
255.02791	6.5
257.04401	15.1
259.02258	2.2
261.03891	76.1
267.06464	2.0
269.04410	5.7
271.05997	5.9
273.03857	31.0
273.07455	8.7
275.05368	4.2
279.04990	2.8
281.04352	3.7
285.03900	36.1
287.05331	3.8
291.04834	20.3
297.03848	13.3
297.07480	14.3
299.05450	6.4
303.04922	100.0
304.05408	3.7
309.03864	6.0
309.07281	4.5
315.04828	7.3
315.08096	2.1
321.05951	17.5
323.05215	1.7
325.06754	1.8
327.04883	29.2
327.08557	20.8
339.08002	26.2
345.06018	10.2
351.04745	2.6
351.08600	14.3
357.05933	6.5
357.09607	4.3
363.07022	20.6
369.05991	5.9
375.07394	5.0
381.09628	24.9
387.06882	8.1
393.09497	21.0
405.08392	23.8
409.09543	2.7
411.10660	9.9
417.09772	3.7
423.10211	20.8
427.09927	2.2
429.11786	30.9
432.90451	1.8
441.10916	32.8
447.10535	20.7
451.12354	1.7
459.12778	30.2
465.10953	12.6
477.11908	5.8
483.12787	11.1
489.11670	3.9
495.12619	15.7
507.12720	9.2
525.13861	12.5
543.14874	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	597.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
53.03928	0.3
55.01854	0.2
55.05510	0.2
57.03427	0.2
57.44353	0.1
63.02371	0.2
65.03926	1.1
67.01850	1.6
67.05495	0.3
68.99780	1.0
69.03419	0.7
69.07042	0.3
69.61254	1.0
71.04987	0.3
79.05476	0.4
81.03411	1.7
81.07054	0.8
83.04969	0.3
85.02892	1.2
91.05469	9.2
93.07025	0.5
95.04964	0.6
95.08587	0.5
97.02872	0.5
98.20753	0.3
99.04414	0.2
105.07058	0.4
107.04932	0.4
107.08549	0.4
109.02853	0.5
109.06509	0.2
109.10132	0.5
111.00769	0.2
111.04433	0.2
111.82544	0.2
117.03362	0.4
119.04926	22.6
119.08559	0.4
120.05257	0.2
120.91243	0.1
121.02858	1.9
121.06461	0.2
121.10115	0.4
123.04460	0.8
123.08079	0.2
123.66891	0.2
125.02344	0.3
127.03885	0.6
127.11098	0.2
129.01831	0.4
131.04921	0.2
131.08522	0.2
133.10147	0.3
135.04398	0.7
135.07973	0.2
137.05974	0.6
137.09587	0.3
139.03815	0.2
145.02853	0.7
145.06456	0.2
145.10152	0.2
147.04390	100.0
148.04733	0.5
151.03862	0.4
153.01807	16.4
163.03889	5.3
165.01820	0.4
165.05458	1.1
165.74113	0.2
167.06996	0.5
171.02864	11.8
177.01804	0.3
177.05418	0.3
179.03328	0.8
181.04918	0.7
183.02837	0.3
187.03958	0.2
191.03448	0.3
195.02855	5.1
201.09084	0.2
203.14215	0.2
205.01312	0.2
215.03346	0.2
216.78943	0.2
219.02962	0.4
243.02853	0.3
257.04291	0.2
261.03958	0.5
271.06046	0.3
273.07556	0.7
287.05521	0.3
289.07025	16.2
291.08649	1.6
301.07184	0.2
309.09613	0.6
313.07178	0.4
315.08478	0.2
319.35028	0.2
331.08096	2.1
343.19687	0.2
355.08191	0.3
379.07828	0.3
397.09213	0.8
415.10007	0.2
433.11130	0.2
484.06674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01860	1.7
55.18644	0.2
57.03430	3.5
59.04974	0.2
61.02917	1.9
65.03909	0.2
65.23717	0.2
68.99784	0.4
69.03082	0.3
69.03423	5.3
69.98857	1.2
71.01340	0.8
71.04974	0.6
73.02916	2.4
81.03413	1.4
83.74620	0.2
85.02895	14.1
87.04456	1.1
87.41369	0.2
90.38580	0.2
91.03928	0.6
91.05433	0.3
97.02875	4.3
99.04429	0.9
100.07608	0.4
100.11250	0.5
101.02381	0.3
103.03931	0.7
107.04934	0.5
109.02867	1.6
111.00801	0.7
111.04419	0.4
115.03926	1.2
121.02825	0.8
123.04416	0.5
127.03909	3.3
131.08591	0.3
133.04962	1.4
137.02345	1.7
137.09564	0.2
145.02831	0.3
145.04932	2.1
147.04439	0.5
149.02303	0.3
149.19063	0.2
153.01810	3.3
161.06004	0.3
163.03868	0.8
165.01816	1.5
167.07037	1.0
173.05855	0.4
177.05417	0.3
181.04915	0.9
182.15392	0.8
183.02896	0.5
191.03430	0.3
191.07025	0.4
195.02844	0.2
201.05438	1.3
209.16415	0.3
210.14920	1.1
217.05016	0.3
219.06424	0.4
229.04950	3.2
233.08064	0.3
236.79370	0.2
237.18405	0.4
245.04488	0.3
247.06006	0.8
257.04361	2.4
273.07486	0.4
274.04666	0.8
285.03876	1.4
287.05258	0.5
288.05804	0.4
289.06104	0.4
301.03452	0.4
302.04138	1.1
303.04950	100.0
304.05310	1.8
315.05090	0.3
327.05011	0.4
331.04541	0.3
345.05881	1.2
360.41791	0.3
417.15198	0.5
435.09183	0.5
465.10239	15.6
466.10626	0.4
597.43115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1442
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.03931	0.3
55.01847	0.4
57.03184	0.1
57.03429	2.0
59.04974	0.2
61.02915	1.1
65.03932	0.1
65.54312	0.1
67.05487	0.2
68.99792	0.3
69.03072	0.2
69.03416	2.8
69.95016	0.3
69.95435	0.3
70.49924	0.1
71.01350	0.3
71.04965	0.3
73.02906	3.8
73.08225	0.1
81.03406	0.8
81.07018	0.2
83.01305	0.1
83.04942	0.1
85.02889	5.8
87.04491	0.2
91.03899	0.3
93.03359	0.4
93.07021	0.1
95.04970	0.2
95.08579	0.2
97.02874	3.6
99.04427	0.3
99.08068	0.3
107.04935	0.2
109.02847	0.8
109.10120	0.2
111.00774	0.7
111.04382	0.1
115.03922	1.5
117.07018	0.1
119.08580	0.2
120.71722	0.1
121.02854	1.0
121.10094	0.1
123.04420	0.2
127.03881	1.5
133.04947	0.3
134.03474	0.1
135.04381	0.2
135.11665	0.2
137.02319	2.8
137.03383	0.1
137.05940	0.1
137.09560	0.1
139.03870	0.2
145.04932	1.1
145.06442	0.2
147.04347	0.2
149.02307	0.5
151.03836	0.1
151.74548	0.2
153.01791	2.8
155.04907	0.1
161.05983	0.2
163.03874	0.6
163.05923	0.2
165.01813	1.5
165.09149	0.1
167.07040	0.1
173.05939	0.3
178.63252	0.1
179.69838	0.1
181.04935	0.1
183.02835	0.7
183.04283	0.2
187.03868	0.3
191.03348	0.1
193.05043	0.2
193.15900	0.1
195.02840	0.1
195.36969	0.1
201.05449	1.5
205.05003	0.1
208.26820	0.1
213.05524	0.2
214.71848	0.1
215.03401	0.1
219.06491	0.3
223.05974	0.1
228.04068	0.1
229.04922	3.8
231.06497	0.2
232.03751	0.1
241.07092	0.1
247.05975	0.6
257.04388	2.6
274.04633	0.9
275.05389	0.2
285.03949	1.2
289.05887	0.2
303.04935	100.0
304.05295	2.1
315.04828	0.2
331.18884	0.2
345.06049	0.4
447.08990	0.2
465.10440	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1597
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.03939	0.4
57.03426	0.3
65.03922	0.8
67.01855	1.1
67.05494	0.3
68.99793	0.4
69.03417	0.9
69.07026	0.2
70.96113	0.5
71.04979	0.3
77.03986	0.2
79.05480	0.4
81.03407	3.3
81.07040	0.5
84.39325	0.2
85.02898	1.7
85.06547	0.2
87.31757	0.2
91.05469	7.9
93.07048	0.5
97.02887	0.7
97.06505	0.2
99.04436	0.6
105.06986	0.6
107.04927	0.3
107.08546	0.4
109.02871	1.4
109.10144	0.5
113.12311	0.2
117.03378	0.2
119.04928	19.8
119.08511	0.2
121.02865	0.2
121.10113	0.3
123.04401	0.5
125.02374	0.2
127.03887	0.3
135.04405	0.6
137.02319	0.3
137.05977	0.5
137.09550	0.3
145.02814	0.5
145.10115	0.4
147.04390	100.0
148.04726	0.8
153.01804	9.6
159.11642	0.2
163.03886	3.6
165.01813	0.3
165.05460	4.9
165.09081	0.2
167.07088	0.3
171.02870	5.6
177.05432	0.2
178.36006	0.2
179.03380	0.5
181.04874	0.2
183.02769	0.3
195.02887	5.7
207.06531	0.3
215.03267	0.3
219.03079	0.2
243.02837	0.4
261.04001	1.1
289.07016	6.0
291.08588	4.4
301.07083	0.2
303.04358	0.2
309.09622	2.8
313.07227	0.2
331.08133	2.3
337.50107	0.2
355.08041	0.3
371.84024	0.3
379.08051	0.6
397.09131	1.1
401.85770	0.2
414.52484	0.2
475.37823	0.2
590.28522	0.2
597.22687	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88857	3.8
52.46439	3.6
53.03938	4.4
55.01857	10.6
55.05501	40.5
57.03419	20.8
57.07053	4.3
57.93922	4.0
60.46045	3.8
64.69901	4.5
67.05494	87.6
69.07058	23.7
71.04991	5.5
79.05482	82.0
81.03406	64.8
81.07043	86.4
83.04963	24.8
83.08629	26.9
85.02886	22.2
85.06524	7.7
90.94824	3.9
91.05469	100.0
91.24947	4.6
93.07028	83.8
95.04958	45.2
95.08598	54.7
97.06491	9.9
97.10171	7.7
98.20787	13.4
99.08054	6.2
104.10742	8.8
105.07014	81.9
107.04929	12.1
107.08566	39.9
109.06484	11.6
109.10138	25.0
111.04337	5.2
111.08068	14.4
117.06985	22.4
118.47575	4.6
119.08567	73.0
121.06496	4.7
121.10134	36.8
123.08032	5.7
123.11703	6.4
125.09596	6.7
129.05450	7.3
129.06973	20.6
131.08530	39.4
133.06447	7.7
133.10095	56.0
135.11690	20.7
142.07726	4.8
143.08559	14.0
145.10095	28.4
147.11649	49.4
149.09625	7.6
149.13232	15.1
157.08839	7.4
157.10121	29.2
159.11656	20.4
161.13243	23.0
169.10095	7.6
171.11652	10.2
173.13223	15.2
175.07536	10.1
175.11140	10.8
175.14771	13.9
183.11591	4.0
185.13246	6.2
193.12199	48.5
199.14827	7.2
201.16396	4.3
211.13248	66.9
231.21017	10.7
241.19507	19.7
256.26395	6.4
259.20514	71.9
267.15872	30.5
269.17535	5.9
285.16910	60.3
301.16309	5.2
315.23148	8.7
333.24167	68.6
335.25827	9.0
367.11777	7.8
433.30765	6.8
451.32245	9.9
525.35565	16.2
543.36597	61.9
561.37909	5.3
588.74707	5.8
596.35406	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	596.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01851	1.6
55.05500	9.4
57.03424	4.3
57.07054	3.7
59.04980	3.3
61.02903	5.0
65.03915	1.4
67.05497	10.9
69.03417	14.2
69.07058	8.6
70.03759	1.8
71.04984	30.8
71.62802	1.3
73.02896	2.7
73.06540	3.7
79.05485	12.3
81.03387	4.8
81.07045	33.8
82.91032	1.2
83.04985	6.2
83.08611	8.7
85.02892	62.5
85.06512	4.6
86.03231	1.8
87.04440	1.5
91.03922	3.8
91.05461	17.5
93.07037	27.5
95.04963	2.7
95.08590	38.2
97.02886	15.1
97.06508	4.9
97.10152	2.7
98.81504	1.2
99.04446	3.6
99.08085	7.4
105.07016	41.9
107.08578	34.4
109.02868	7.3
109.06523	2.7
109.10144	19.7
109.10839	2.5
111.08041	2.5
117.06992	3.0
119.04923	4.8
119.08580	15.1
120.08934	1.8
121.06490	1.5
121.10121	19.8
122.10449	1.5
123.08073	2.4
123.11697	7.5
125.09612	35.1
127.03901	19.2
127.07527	4.0
127.11182	7.5
129.05475	1.7
129.09082	1.6
131.08577	7.6
133.10112	75.3
135.11688	3.6
137.09581	3.0
139.11118	3.6
143.10654	89.7
145.04945	23.9
145.10097	17.9
147.04391	21.5
147.11679	17.7
149.13237	30.6
149.45331	1.4
151.11165	6.1
155.10580	1.9
159.11681	10.1
161.13251	9.8
163.05983	13.2
165.12730	1.5
166.13007	1.7
167.07048	2.0
167.14294	100.0
169.04964	1.9
169.12172	4.7
173.13136	1.5
175.14732	1.2
177.12732	1.7
179.14313	2.0
181.04893	2.0
183.13786	2.3
184.14035	1.2
198.77499	1.2
201.16383	14.1
203.17943	2.3
219.17410	94.1
220.17773	2.1
221.18988	1.6
224.86143	1.3
236.17258	2.3
237.18462	22.1
246.43349	1.3
253.17902	2.1
254.18234	2.0
287.05615	7.4
287.14832	1.3
288.05811	7.4
289.06046	1.3
325.11105	9.6
363.21841	1.4
381.22607	4.4
399.23721	3.0
618.25751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21677	0.5
53.00297	0.5
53.03918	0.7
55.01857	0.9
55.05494	2.6
57.03409	1.4
57.07061	1.0
61.02905	0.8
61.41055	0.5
61.97980	0.4
65.03922	0.4
67.05493	3.0
69.03061	0.7
69.03414	7.9
69.07050	2.3
71.04584	0.7
71.04979	13.8
71.47128	0.9
73.02913	0.5
74.09718	0.5
79.05474	2.5
81.03391	1.3
81.07041	11.1
83.04973	0.9
83.08590	1.8
85.02885	12.9
85.06512	1.6
87.61641	0.4
91.03949	0.4
91.05457	3.4
93.07031	6.4
95.04970	2.1
95.08590	5.6
97.02866	3.9
97.06497	1.7
97.10162	2.6
99.04438	1.0
99.08076	2.9
105.07005	6.3
107.04922	1.0
107.08571	8.8
109.02846	1.9
109.06490	6.5
109.10130	6.5
111.08088	1.0
113.09650	0.4
115.03915	0.7
117.07029	0.8
119.04914	2.5
119.08560	4.7
121.02807	0.6
121.06524	0.4
121.10124	7.9
123.08051	1.6
123.11680	5.6
125.09631	3.0
127.03889	3.6
127.07526	1.8
127.11164	20.1
127.12122	1.0
131.08514	1.1
133.10104	12.6
135.08012	0.5
135.11710	2.4
135.12563	0.5
137.05952	0.5
137.09599	0.6
139.07500	1.5
139.11118	1.5
141.09119	0.5
143.10645	5.6
145.04935	4.2
145.09027	0.7
145.10089	9.3
145.91508	0.4
147.04381	13.7
147.11670	2.7
149.09543	1.0
149.13242	0.9
151.11153	24.9
153.01813	0.9
153.09070	1.7
155.10635	9.4
159.11635	2.9
161.13214	1.7
163.03836	1.7
163.06061	2.0
163.07288	0.6
163.11166	1.0
165.05435	0.5
165.09084	0.6
167.06995	1.7
167.10687	1.1
168.07321	0.5
172.73044	0.4
175.14790	1.2
177.05496	0.7
177.12730	0.5
177.16345	9.7
181.04939	0.5
181.08595	0.4
181.12286	2.1
191.17926	1.7
201.16322	5.1
219.17398	8.7
231.35258	0.6
237.18445	100.0
238.18819	1.6
255.19511	14.6
277.07071	0.6
287.05322	1.2
288.05774	0.6
303.04877	0.9
325.11349	0.7
417.14529	0.7
445.19385	0.5
599.72736	0.5
614.72437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19835	0.3
74.02411	0.5
81.03397	0.4
84.04485	0.6
85.02906	0.6
91.05424	0.4
103.05486	0.4
104.91170	0.3
107.04929	1.5
115.05415	0.8
117.05730	0.7
117.06992	0.8
118.06525	13.7
121.02869	0.6
123.04412	1.1
129.06635	0.4
130.04993	0.8
130.06503	1.7
132.08072	4.5
135.08012	0.5
139.03865	1.9
142.06531	1.2
143.07283	1.8
144.08060	11.0
145.04898	0.3
145.08496	0.3
146.05984	58.9
147.04405	0.9
149.00545	0.5
153.06557	0.4
155.01611	0.5
159.09146	6.0
160.07594	0.4
163.03894	0.9
163.07520	2.1
167.01640	0.4
167.06950	0.8
170.05992	3.9
179.01547	0.4
188.07039	100.0
189.07338	1.3
195.10141	2.0
205.09692	57.2
206.10069	0.7
208.04227	0.4
211.85899	0.3
229.10757	0.4
243.02872	0.4
271.06012	0.5
282.04120	0.4
287.05545	1.0
297.05707	0.3
297.30338	0.3
299.06796	0.8
303.03003	2.2
311.06839	2.2
329.07971	0.6
357.06241	0.4
449.09918	1.2
454.13943	0.3
458.12170	1.3
509.26575	0.3
521.11353	0.4
591.12109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93388	0.7
53.03929	0.9
55.01859	1.2
55.05489	2.9
57.03412	2.0
57.07081	0.7
60.00005	0.5
61.02901	1.9
64.40836	0.6
67.05494	3.0
69.03123	0.7
69.03422	7.4
69.07056	3.0
71.04987	12.5
71.62999	0.8
73.02898	0.9
73.06534	0.6
79.05473	2.3
81.03387	2.5
81.07047	13.3
83.04981	0.8
83.08599	2.5
85.02889	14.1
85.06526	1.6
86.09701	0.8
91.05459	3.9
92.23742	0.6
93.07031	7.6
95.04960	2.0
95.08584	7.3
97.02881	4.7
97.06501	1.8
97.10171	4.5
99.04453	0.6
99.08078	3.0
105.07008	6.5
107.04950	0.9
107.08576	9.6
109.02849	1.9
109.06482	6.1
109.10139	8.8
111.08083	1.2
113.09580	0.8
115.03948	0.7
119.04945	1.6
119.08585	4.5
121.02868	0.7
121.06477	1.1
121.10117	9.4
123.08076	1.6
123.11687	7.3
124.81661	0.7
125.09661	2.9
125.10643	0.6
127.03929	3.1
127.07534	1.6
127.11172	18.7
131.08572	1.2
133.10107	11.6
135.07965	1.0
135.11696	3.9
137.05937	1.0
137.09630	0.8
139.07486	1.8
139.11153	1.6
143.10649	4.7
145.04948	5.6
145.07512	0.6
145.10092	8.1
147.04390	11.3
147.11662	1.9
149.09598	1.3
149.13235	1.0
151.11156	21.7
153.09090	3.2
155.10641	9.9
159.11664	2.5
161.13199	2.3
163.03865	2.7
163.05980	1.6
163.11192	1.8
167.06969	0.9
167.10670	2.2
173.13225	0.7
175.14780	2.2
177.05438	1.1
177.16360	13.9
181.04840	0.9
181.12245	3.2
182.72194	0.7
191.17888	1.8
201.16348	5.3
219.17401	9.8
237.18463	100.0
238.18855	3.3
255.19525	22.6
273.58173	0.6
277.06979	0.9
287.05420	2.9
288.05667	1.0
303.04889	0.8
416.14487	0.8
514.76563	0.8
543.89270	0.8
596.32086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.165
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.28356	0.1
55.01854	0.2
55.05487	0.2
57.03415	0.1
59.22972	0.1
61.02900	0.2
62.31107	0.1
67.05482	0.3
68.99789	0.4
69.03413	0.7
69.07029	0.1
70.91567	0.2
70.91943	0.2
71.04964	0.5
75.04459	0.2
79.05473	0.6
81.03412	0.6
81.07043	0.7
81.07459	0.1
83.04970	1.0
84.05311	0.1
85.02892	3.4
85.06476	0.1
91.05460	0.5
93.07019	0.5
95.04930	0.3
95.08604	0.7
97.02872	0.8
97.06499	0.3
97.10191	0.1
99.04420	0.3
105.03323	0.4
105.07003	0.4
107.04931	0.6
107.08591	0.6
109.02838	0.5
109.06467	0.3
109.10101	0.3
111.00796	0.7
111.04431	0.7
111.08054	0.3
115.05405	0.1
117.06991	0.2
119.04903	0.5
119.08566	0.3
121.02849	2.5
121.06426	0.2
121.10102	0.4
123.04413	0.2
123.08018	0.2
123.11652	0.1
127.03918	0.8
129.05478	1.0
129.06989	0.2
131.08548	0.2
133.02823	0.4
133.10101	0.2
135.04379	0.3
135.08012	0.2
135.11626	0.2
137.02339	0.5
137.05956	0.3
137.09595	0.3
141.09138	0.2
145.04945	0.5
145.06418	0.5
145.10083	0.3
147.04391	1.0
147.06480	0.2
147.07985	0.1
147.11664	0.3
149.09526	0.1
150.17995	0.1
151.07509	0.3
151.11162	0.1
153.01802	3.2
153.05386	0.1
157.06462	0.5
159.11719	0.1
161.05933	0.3
163.03905	0.2
163.07378	0.1
165.01817	1.8
165.05460	0.3
165.09140	0.1
167.07011	2.0
173.05945	0.3
175.03883	0.3
177.05414	0.4
177.12733	0.1
179.07033	0.3
181.04926	1.0
183.02840	0.9
185.05948	0.5
189.05434	0.2
203.06976	0.2
205.08586	0.2
205.15854	0.1
207.06499	0.4
213.05405	1.2
215.14262	0.1
231.06438	0.8
233.15298	0.3
239.43652	0.1
241.04858	0.7
255.08604	0.2
258.05191	1.2
259.05957	0.4
269.04413	0.2
287.05441	100.0
288.05762	1.3
341.17731	0.1
348.05334	0.1
377.19952	0.2
385.12863	0.3
387.14368	0.2
396.77182	0.1
416.14554	1.1
417.15222	1.1
433.11273	2.0
437.23526	0.1
567.86932	0.1
595.21600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1648
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03925	0.3
55.01853	0.2
57.03427	0.5
61.02913	0.8
68.99779	0.2
69.03075	0.1
69.03422	2.1
71.04984	0.8
71.13518	0.3
73.02895	0.2
81.03399	1.0
85.02894	6.5
87.04445	0.1
91.03934	0.3
97.02880	1.8
99.04420	0.3
105.03384	0.1
107.04916	0.2
109.02856	0.9
111.00774	0.4
121.02850	1.6
127.03910	1.1
129.05452	0.2
133.02817	0.3
137.02328	0.4
145.04939	1.1
147.04376	0.3
153.01808	1.8
157.06445	0.2
161.05824	0.1
165.01813	1.2
171.04427	0.2
183.02876	0.7
185.05893	0.3
187.99704	0.1
213.05414	0.8
231.06470	0.4
241.04836	0.7
258.05237	0.7
259.06036	0.2
269.04330	0.1
287.05450	100.0
288.05780	1.6
433.11249	6.8
434.11414	0.2
449.10757	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1649
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03927	0.3
54.20206	0.1
55.05495	0.2
57.03429	1.6
61.02906	0.4
68.99772	0.2
69.03415	1.0
70.76176	0.2
71.04982	9.5
71.49174	0.1
73.02904	0.2
75.04470	0.2
81.03392	0.6
83.04970	0.7
85.02892	13.3
87.04454	0.3
91.03928	0.2
91.05481	0.2
97.02872	1.2
99.04464	0.3
105.03362	0.2
107.04935	0.3
107.83997	0.1
109.02847	0.5
110.29387	0.1
111.00797	0.4
111.04419	0.5
119.04925	0.2
121.02844	1.9
127.03918	0.8
129.05457	2.7
133.02827	0.3
135.04404	0.2
137.02306	0.6
137.06007	0.2
145.04927	0.9
145.06453	0.2
147.04414	0.3
147.06485	0.8
153.01810	2.2
157.06447	0.3
161.05968	0.2
165.01826	1.2
167.07042	0.2
183.02866	0.8
185.05914	0.3
191.42020	0.1
197.05994	0.2
197.08160	0.2
198.08380	0.2
213.05487	0.6
231.06480	0.4
233.91054	0.1
241.04895	0.6
258.05212	0.9
259.05963	0.3
269.04361	0.2
276.97739	0.1
282.48328	0.1
287.05450	100.0
288.05728	1.1
317.06570	0.3
376.66064	0.1
435.03378	0.1
449.10638	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1646
Annotation	Multiflorin B
Peak:m/z	Relative Intensity
53.03926	1.4
55.01853	2.1
55.05504	6.1
57.03419	5.0
57.81137	0.7
60.54582	0.6
60.57056	0.6
61.02903	2.0
65.03918	0.8
67.05495	1.5
69.03419	8.7
69.07014	0.9
71.04982	14.9
73.02897	1.5
75.04446	1.6
79.05481	1.4
79.09492	0.6
81.03407	4.3
81.07046	1.0
83.04968	50.6
85.02892	46.6
87.04422	1.2
91.03970	1.0
91.05485	3.3
91.05926	0.5
92.73050	0.6
93.07027	0.6
95.04954	2.0
95.08578	1.5
97.02872	11.0
99.04437	2.7
101.05984	1.3
105.03271	0.6
105.07008	1.7
107.04956	1.5
107.08618	1.0
109.02863	3.2
109.06485	1.0
111.04424	24.7
114.61594	0.6
119.04894	3.1
119.08566	0.8
121.02842	4.1
123.04411	2.1
125.05952	0.8
127.03891	8.0
129.05460	21.6
133.10146	0.8
135.04424	1.2
135.07988	0.7
137.05968	0.7
137.09566	1.1
145.04922	7.2
145.10097	1.2
147.04393	13.6
147.06403	3.0
149.05969	1.5
151.03896	1.0
153.01801	2.9
163.03860	0.7
163.06020	1.1
163.07433	0.8
165.01826	1.1
165.05446	1.7
165.09023	0.8
166.04308	0.6
167.07053	3.8
173.05817	0.7
177.05426	1.7
181.04866	1.6
185.05859	0.8
189.05350	0.8
207.06396	0.8
228.22197	0.6
231.06525	0.7
233.08112	0.6
237.07547	1.7
241.04895	1.4
255.08630	3.4
258.05347	0.7
287.05457	100.0
288.05719	1.4
299.05508	0.9
311.05389	0.8
311.08881	0.6
329.06448	2.6
340.37152	0.7
353.06369	0.7
397.09006	0.8
415.09979	0.9
416.14774	0.9
433.11261	0.7
530.07959	0.8
595.22522	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	595.1651
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.05493	0.3
57.03435	3.4
60.21618	0.2
67.05489	0.5
68.99813	0.3
69.03417	0.5
69.32336	2.8
70.06581	0.3
71.04987	19.5
73.02895	0.4
75.04443	0.4
81.07036	0.3
83.04976	0.7
85.02896	20.5
86.06065	0.3
87.04469	0.6
95.08582	0.6
97.02876	0.4
98.20766	0.6
99.04434	0.3
105.06997	0.4
107.04916	0.3
109.06466	0.3
109.10110	0.3
111.00784	0.4
111.04409	0.6
119.08606	0.3
121.02843	1.9
123.04399	0.4
123.11675	0.7
125.05963	0.4
126.32283	0.3
127.03895	0.7
129.05475	4.9
133.02846	0.4
137.02338	0.8
139.03912	0.3
145.02873	0.4
147.04411	0.4
147.06490	0.6
147.11635	0.3
149.09634	0.6
153.01816	2.1
161.13205	0.3
163.22087	0.3
165.01825	1.1
167.06999	0.6
177.05464	0.7
181.05025	0.3
181.08545	0.5
183.02876	0.8
185.05974	0.3
189.12682	0.5
207.13785	1.2
208.14223	0.4
209.15120	0.3
213.05455	0.8
225.14905	0.3
231.06378	0.4
241.04961	0.7
257.01190	0.5
258.05225	0.6
259.05954	0.4
287.05469	100.0
288.05759	0.9
329.06650	0.4
333.16882	0.5
338.11996	0.3
343.04382	0.5
351.18073	0.6
352.18204	0.5
433.11194	0.6
449.10754	17.2
595.18610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89680	1.5
55.01855	3.5
55.05504	16.4
57.03425	8.4
65.03915	2.0
67.05499	24.5
69.03425	4.3
69.07055	6.9
71.04980	5.0
79.05482	24.4
79.05946	1.6
81.03409	50.6
81.07043	32.6
81.62509	1.7
83.04968	9.8
83.08619	16.5
85.02895	3.6
85.06546	3.0
87.04462	1.8
88.42361	1.3
91.05455	21.7
93.07034	22.7
95.04955	22.4
95.08595	18.0
97.06528	6.3
97.10156	16.8
98.20759	2.6
99.04428	2.4
99.08084	2.8
105.07020	24.1
105.56669	1.5
107.04952	13.3
107.08585	18.1
109.06512	13.6
109.10149	11.4
111.04434	3.4
111.08043	6.9
117.07020	9.0
119.04921	1.9
119.08553	14.0
121.06486	11.5
121.10132	15.4
123.04473	1.7
123.08037	7.6
123.11725	3.4
125.05923	1.4
125.09618	13.7
127.07524	2.2
129.06989	9.1
131.08563	16.9
133.06490	4.4
133.10136	11.9
135.08041	5.5
135.11670	4.6
137.05983	2.4
137.09578	3.3
139.03883	2.2
141.06998	4.0
142.07761	3.9
143.08546	8.4
145.06474	6.3
145.10114	13.7
147.04337	2.4
147.08040	5.8
147.11674	11.4
149.09566	6.8
151.07545	1.7
151.11174	1.8
153.09102	2.4
155.08527	7.6
156.09279	1.6
157.10112	11.2
159.08060	3.0
159.11711	8.2
161.05849	2.0
161.09628	3.4
161.13283	3.5
163.11110	3.1
165.12651	2.5
167.08609	2.2
167.10477	1.4
169.10133	4.8
171.06606	1.9
171.08031	2.3
171.11653	5.4
173.13226	6.3
174.05818	1.7
175.11131	9.1
183.11710	3.0
185.09674	2.2
185.13266	6.0
187.11252	3.1
187.14835	1.7
189.11209	8.1
189.12703	3.2
189.16406	1.7
193.12212	15.2
195.11749	3.0
197.09598	1.5
197.13292	3.9
199.11186	2.4
199.14807	2.3
205.10335	1.9
205.12253	2.4
213.12643	2.3
215.14229	2.9
217.12277	2.0
219.13710	3.1
227.14511	2.0
231.13750	2.5
233.15320	2.7
243.13655	2.2
249.14734	2.4
255.13914	1.9
259.13504	1.7
267.15903	42.6
273.14786	5.2
282.93799	1.4
287.05591	3.4
291.15976	1.6
293.17526	1.8
339.23196	2.6
340.60861	1.5
349.21640	3.4
357.24335	1.9
367.22641	15.2
385.23672	25.4
385.28342	2.2
403.24759	8.5
405.24039	1.5
427.26178	1.8
441.26266	9.6
453.29965	5.3
459.27347	100.0
463.28067	2.3
471.31122	5.6
477.28458	81.5
481.29425	4.6
491.30032	10.6
499.30377	4.8
509.30911	6.7
517.31311	1.6
541.33997	2.8
594.36755	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	594.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01863	2.9
55.05504	4.0
57.03432	5.3
57.07072	1.9
59.04990	13.6
61.02911	7.5
65.03922	0.7
67.05498	5.4
69.03413	20.9
69.03754	1.4
69.07047	3.0
69.40743	2.9
69.41184	4.2
71.04984	7.9
73.02903	3.9
79.05482	7.0
81.03401	8.8
81.07046	21.3
83.04980	2.2
83.08591	2.3
85.02893	100.0
85.06504	1.7
87.04455	2.3
91.03928	4.9
91.05454	5.8
93.07031	11.0
95.04980	1.9
95.08593	33.8
97.02878	25.7
97.06541	4.0
97.10155	2.5
99.04428	7.9
99.08062	1.6
103.03942	2.0
105.07011	17.1
107.04960	0.9
107.08579	22.0
109.02859	9.2
109.06512	4.1
109.10147	4.9
110.38808	0.8
111.04456	1.3
113.09581	1.2
115.03933	1.7
117.07013	2.7
119.08565	16.4
121.06526	1.7
121.10126	12.4
123.04456	0.9
123.08068	8.5
123.11684	12.9
123.12553	0.9
125.09605	16.2
127.03893	25.7
127.07523	1.0
131.08553	6.5
133.10110	21.5
133.11073	1.5
135.04428	0.7
135.08011	1.3
135.11713	1.4
137.09607	2.3
137.13226	8.8
139.11172	6.9
141.09076	9.9
142.07779	1.1
143.08540	2.3
143.10674	3.4
145.04936	42.1
145.10092	5.7
147.04398	1.5
147.08055	1.3
147.11664	21.8
149.09602	2.8
149.13252	2.7
155.08510	1.0
157.10130	5.2
159.11681	8.0
161.09569	1.7
161.13234	1.5
163.05991	21.7
163.07397	1.4
163.11209	1.4
165.12729	49.2
167.10675	2.8
171.11702	1.5
173.13252	2.3
175.11147	1.9
175.14914	1.3
177.12706	4.3
181.06989	0.7
183.13783	84.4
185.11681	1.3
189.12779	1.7
189.16367	3.4
193.04457	0.7
195.13828	1.1
199.14812	3.4
201.12878	0.8
202.84097	0.8
207.13806	1.8
213.14909	1.3
217.15805	13.8
220.53468	0.8
235.16910	31.3
249.15144	0.9
255.13974	0.7
271.08136	1.1
273.14865	1.8
287.05579	1.1
289.09164	3.1
291.15924	3.0
303.14136	1.3
309.16949	5.1
325.11258	17.0
327.17978	31.5
328.18268	0.8
345.18994	14.3
361.19888	0.9
379.21204	1.9
397.22055	3.9
507.24426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.9
53.03929	7.2
55.01618	2.6
55.01864	40.4
55.05500	47.9
57.03429	19.8
57.07069	4.1
61.02907	1.8
64.91076	1.6
65.03904	4.9
67.05493	92.8
69.03425	11.7
69.07053	44.3
69.77793	1.7
70.14283	2.4
70.14670	5.0
71.04980	10.3
73.02902	4.4
78.18850	1.6
79.05479	81.8
81.03404	46.2
81.07043	100.0
82.04196	3.2
82.07371	2.0
83.04967	24.9
83.08603	28.1
85.02898	12.5
85.06549	8.6
91.05457	75.7
93.07027	67.7
93.07620	3.6
93.46691	1.7
95.04950	39.7
95.08585	49.5
97.02858	5.9
97.06510	40.8
97.10152	21.8
98.07291	3.8
99.08074	4.2
103.05413	3.5
105.07012	65.7
107.04940	28.1
107.08571	48.1
109.02869	1.9
109.06493	17.2
109.10138	26.1
111.04427	5.9
111.08060	11.3
113.06013	2.0
115.05418	2.1
116.04664	5.0
117.07001	22.3
119.08555	47.7
120.08907	1.7
120.21698	2.1
121.06493	12.1
121.10126	24.7
122.02699	1.9
123.04398	3.4
123.08033	16.0
123.11677	6.9
125.05959	1.7
125.09613	22.6
127.03831	1.9
129.05466	14.6
129.06984	12.4
130.07787	1.7
131.08540	26.6
133.06464	6.3
133.10106	35.0
135.08031	14.6
135.11668	17.3
137.09590	11.2
139.07518	1.8
139.11186	3.0
141.06985	5.1
142.07767	5.6
143.07031	5.0
143.08525	10.0
145.06444	2.7
145.10106	22.7
147.08008	8.7
147.11661	25.2
149.09590	36.5
149.13232	7.4
151.11130	6.4
153.09082	3.8
153.12741	1.7
155.08577	4.4
157.08585	8.0
157.10110	16.5
159.07974	3.1
159.11670	19.1
161.09605	7.1
161.13228	7.6
163.07547	3.3
163.11145	22.6
165.09093	5.3
165.12741	5.2
167.10733	2.1
167.91951	1.8
169.10130	5.6
171.10129	4.7
171.11652	7.8
173.07576	1.5
173.09554	5.1
173.11818	2.5
173.13193	7.3
175.11095	13.8
175.14842	2.8
177.12697	4.1
179.14326	2.2
181.10062	2.3
181.12112	4.1
183.11647	4.0
185.13220	2.7
187.11148	4.8
189.11165	10.8
189.12679	3.6
191.10661	2.1
191.14293	1.9
193.12206	24.6
195.13794	3.7
199.13261	2.8
201.12737	3.7
203.10573	3.0
205.12105	2.2
207.13971	2.1
209.11690	5.5
211.13234	27.9
213.12704	1.9
213.16458	2.3
217.15840	1.7
223.13179	2.8
225.45772	1.8
227.12715	19.5
229.14226	8.8
229.19460	3.2
245.19055	3.4
247.20578	3.6
255.17659	2.3
257.19025	8.1
263.20032	3.9
267.15924	13.2
269.17340	2.3
273.18509	13.6
275.20016	65.7
283.15317	5.0
285.16858	18.6
291.19513	29.7
293.21091	6.0
301.16431	31.2
309.20593	3.9
313.21671	3.2
333.24313	1.9
347.22107	5.9
347.25986	1.9
349.23691	32.2
365.23145	17.3
383.24490	1.9
397.22131	2.4
398.20685	1.7
439.26877	5.7
449.28943	2.6
461.29465	2.4
483.31360	2.0
495.29376	4.1
539.33655	2.0
557.34747	14.2
575.35651	42.1
593.36987	30.5
617.17822	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53622	1.2
52.87644	1.1
53.03936	3.5
55.05496	4.4
57.03414	1.6
57.07048	2.7
59.05000	1.2
61.01190	1.0
64.47417	1.1
65.03908	1.7
67.05489	14.7
69.03075	1.2
69.03421	17.9
69.07055	2.5
70.06561	1.0
71.04975	2.7
73.02910	1.8
73.99480	1.0
79.05471	5.3
81.03397	5.0
81.07056	13.7
83.01318	1.3
83.04962	3.0
85.02894	48.9
85.06530	6.6
91.05447	9.6
93.07028	9.4
95.04948	3.7
95.08595	40.3
97.02873	9.0
97.06496	1.4
99.04452	5.7
103.05424	1.4
105.07021	25.2
107.08570	10.1
109.02151	1.3
109.02863	5.1
109.06493	9.5
109.10141	25.7
111.04404	4.9
113.05999	3.6
117.07000	3.7
119.08561	30.6
119.43690	1.0
121.06468	3.9
121.10124	16.3
123.04377	2.8
123.08070	19.0
123.11692	55.4
125.05971	14.1
125.09686	1.4
127.03905	20.1
130.07715	1.4
131.08536	4.9
133.06467	3.5
133.10121	5.2
133.95695	1.3
135.04425	1.7
135.08041	2.0
135.11691	6.0
137.05914	3.8
137.09576	5.0
139.03848	2.6
139.07494	2.5
145.04933	4.9
145.10081	8.2
147.04335	2.3
147.08026	7.3
147.11662	34.9
149.05933	1.4
149.09607	26.8
151.07529	12.3
151.14670	1.3
156.09329	3.8
159.08057	2.8
159.11629	1.6
159.99458	1.1
161.09583	1.8
161.13248	7.6
163.03845	1.3
163.11143	5.4
165.09055	3.2
165.12723	4.6
167.10641	10.3
168.97017	1.1
171.11670	4.9
174.10303	7.1
177.05453	2.0
179.14374	1.5
179.25618	1.2
187.11128	1.2
189.12714	58.3
207.13768	100.0
209.15277	1.4
225.12836	1.0
225.14813	25.8
229.85881	1.6
251.09102	2.8
255.13815	1.7
271.06046	1.3
273.14938	1.7
277.10648	2.1
287.05515	1.4
291.15930	1.6
315.16040	1.3
333.16940	44.2
351.17987	74.0
369.14566	2.3
369.19019	30.3
387.19937	7.1
395.25729	3.5
413.26862	3.4
534.26123	1.4
538.79340	1.2
575.32220	3.1
593.22119	2.1
593.33038	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	593.2744
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.13635	0.2
68.48179	0.2
388.16830	0.3
389.17770	0.8
401.17914	0.4
402.18414	0.9
403.19196	1.9
404.20114	1.1
405.20581	1.7
415.19586	0.4
416.20319	0.6
417.16663	0.7
417.21313	2.8
418.22067	1.1
419.22324	3.2
429.20850	0.3
430.17764	1.0
430.22617	0.3
431.18100	6.9
432.18408	1.8
432.24277	0.5
433.24182	4.9
434.24579	1.2
444.19336	0.5
445.19806	8.3
446.20471	3.1
447.21652	4.9
448.22202	0.3
449.23260	0.3
459.21320	2.3
460.22461	9.3
461.23254	7.7
463.21289	0.4
473.24002	1.3
474.24008	0.9
476.25705	0.8
477.22327	0.4
487.24890	1.0
488.25754	0.3
489.27078	0.4
491.24969	0.5
492.25177	1.2
505.21844	4.6
506.22919	0.3
515.23920	0.3
518.23389	0.4
519.24048	0.7
533.25397	24.7
534.25909	1.6
561.24792	0.4
564.23413	1.0
565.27972	0.8
578.25598	0.3
593.27478	100.0
594.27667	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	593.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35292	0.2
70.06162	0.6
70.06556	0.7
98.20823	0.4
209.90393	0.3
235.12131	0.3
237.13733	0.3
291.11685	0.2
368.30347	0.3
388.16608	0.5
389.17639	1.2
391.19043	0.4
401.17639	0.8
401.26373	0.2
402.18439	1.0
403.19128	3.6
404.19879	1.3
405.20731	2.1
416.15402	0.5
416.19879	0.8
417.16544	1.0
417.21265	4.6
418.21777	2.3
419.22223	4.4
420.22922	0.4
430.17822	1.1
431.18109	10.2
432.18311	2.4
432.23978	0.7
433.24014	9.1
434.24643	1.6
444.19012	0.4
445.19885	12.0
446.20541	5.0
447.21738	5.4
448.22470	0.5
449.23325	0.5
457.20108	0.3
459.21408	4.6
460.22467	15.8
461.23209	14.2
462.23685	1.0
463.20996	0.5
473.23621	3.1
474.24106	1.1
476.26025	1.4
477.22522	1.0
477.27505	0.5
487.25003	1.6
488.25989	0.3
489.26422	0.9
491.24231	0.9
492.25272	1.7
493.25940	0.6
503.24191	0.4
505.21848	6.3
515.23993	0.5
518.23236	1.1
519.23749	1.1
533.25391	57.0
534.25800	3.8
551.25574	0.3
561.24847	0.6
564.23584	0.8
565.28149	1.1
575.26361	0.5
593.27460	100.0
594.27832	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	593.2745
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.05504	0.8
67.05482	1.7
69.07052	0.8
69.30177	1.5
69.30578	7.4
73.91295	0.9
79.05490	1.3
81.07030	2.8
91.05471	1.8
91.19274	0.7
92.05850	0.7
93.07037	1.6
95.08599	1.3
105.06976	1.9
107.08562	1.7
107.79442	0.7
109.10145	0.8
117.06963	1.2
119.08574	1.1
121.10054	0.7
133.10085	1.2
147.11642	0.9
157.10049	0.8
159.11649	1.2
220.80513	0.8
306.98178	0.8
389.17584	2.5
391.19220	0.8
403.19168	3.4
404.19751	1.6
405.20737	2.7
417.16217	4.2
417.21588	1.4
419.22379	6.6
431.18268	8.2
432.19293	2.9
433.19617	2.0
433.24170	2.2
441.90048	0.9
445.19589	6.4
446.20718	8.2
447.21539	9.8
459.21851	3.0
460.22461	4.8
461.23212	3.9
473.23187	2.1
491.20511	1.1
501.22775	1.0
505.22516	3.4
518.23755	1.0
533.25421	36.0
534.25946	1.8
593.27484	100.0
593.45599	3.5
594.27802	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	593.1492
Annotation	Luteolin 7-(3'''-acetylapiosyl-(1->2)-xyloside)
Peak:m/z	Relative Intensity
53.03936	0.3
55.01857	0.3
55.05498	0.3
55.54059	0.2
57.03410	0.8
59.04979	0.2
61.02908	0.5
62.65110	0.2
67.05476	0.5
68.26474	0.2
68.99786	0.3
69.03417	15.7
69.07050	0.3
69.71565	0.2
71.01321	0.3
71.29578	0.5
73.02882	0.2
73.24491	0.2
79.05461	0.4
81.03392	0.3
81.07013	0.5
83.04965	0.3
85.02889	4.1
87.04448	0.5
91.05417	0.3
93.07007	0.3
95.04933	0.3
95.08573	0.4
97.02876	12.5
97.06467	0.2
101.39437	0.2
105.07002	0.6
107.04967	0.3
107.08573	0.3
109.02853	0.4
109.10112	0.4
111.00783	0.6
111.04391	0.2
115.03909	8.4
119.04915	0.3
119.08571	0.4
121.02839	2.3
121.06446	0.3
121.10100	0.3
123.04401	0.3
127.03819	0.3
133.02855	0.4
136.07523	0.2
137.02313	0.5
137.09569	0.4
139.03947	0.2
145.10045	0.3
147.04378	0.8
153.01793	2.3
157.04948	1.1
157.06168	0.2
163.03886	0.2
165.01770	1.3
165.57312	0.2
167.07019	0.4
175.06001	3.7
175.07492	0.4
177.05434	0.3
180.02351	0.2
183.02820	0.6
185.05943	0.3
189.05516	0.3
203.06947	0.3
207.06580	0.3
213.05431	0.9
231.06398	0.4
241.04959	0.8
257.04233	0.3
258.05185	0.8
287.05441	100.0
288.05798	2.1
299.05508	0.6
341.00354	0.2
365.06631	0.3
366.99075	0.2
383.07666	0.3
419.09650	12.8
461.10611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.1
55.01850	8.4
55.05505	28.6
57.03418	15.4
57.07069	6.2
62.78527	3.7
67.05159	7.2
67.05496	87.5
69.07064	30.7
69.27467	11.6
69.27886	38.8
71.04984	7.1
75.37743	4.0
79.05487	78.1
81.03392	7.6
81.07047	79.2
82.07388	4.2
83.04958	16.7
83.08620	12.5
85.06525	5.4
91.04890	6.0
91.05460	100.0
93.07034	99.8
95.04954	27.1
95.08592	48.7
95.39169	4.7
97.06533	6.7
97.10120	4.4
100.34832	3.9
105.06365	8.4
105.07018	93.3
107.04933	9.1
107.08582	31.9
109.06503	7.3
109.10113	19.8
111.08066	5.8
117.07007	25.4
119.08566	65.5
121.10094	21.2
123.08064	6.7
123.11707	6.4
128.06215	4.8
129.06999	23.0
131.08565	25.7
133.10123	47.7
134.10501	4.6
135.11639	19.8
143.08556	16.2
145.10103	26.1
147.08109	5.0
147.11658	68.2
148.90842	5.1
149.13249	14.3
157.10085	11.6
159.11682	18.1
161.13245	32.1
169.10040	6.3
171.11661	30.9
173.13202	10.8
175.14809	14.2
185.13246	7.7
187.14781	6.0
189.12730	10.1
207.13744	27.0
231.21169	8.0
241.19516	28.5
243.21028	5.7
259.20566	59.0
279.15906	17.1
281.14584	7.4
281.17450	71.2
315.22983	7.6
333.24170	52.6
383.30890	4.4
415.57642	4.1
539.37378	65.1
557.38483	19.7
592.44226	5.3
593.26935	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	591.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.4
55.05503	13.6
57.03428	10.8
57.07068	41.1
65.01225	1.7
65.03931	2.3
67.05493	59.3
69.07057	15.7
69.21319	1.3
71.05527	1.5
71.05872	3.9
71.08270	2.4
71.08620	29.6
77.21387	1.9
79.05480	29.0
81.07044	65.4
83.04990	2.4
83.08606	15.9
85.06510	2.6
85.10175	13.6
89.17189	1.6
91.05461	16.3
93.06462	2.4
93.07027	45.0
95.08591	64.0
97.06521	2.2
97.10166	7.4
105.07008	12.6
107.08572	24.5
108.11307	1.5
109.06502	2.2
109.10138	30.6
117.06994	5.4
119.08555	14.2
121.10130	21.5
123.11687	15.0
124.86881	1.6
131.08545	14.4
133.10117	12.8
135.11678	17.5
137.09552	1.8
137.13200	5.0
145.10089	8.2
147.11653	6.8
149.13242	13.3
151.14818	2.3
159.11673	10.0
161.13235	4.8
163.14763	6.6
173.13246	8.8
175.14790	3.8
177.16341	1.9
187.14740	3.8
233.22589	2.7
239.23512	2.7
243.21022	14.3
261.22101	60.5
262.22415	1.9
279.23141	2.4
313.27325	100.0
317.24670	12.1
335.25732	78.4
373.01819	1.8
438.31750	2.4
573.48608	29.8
591.49872	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	592.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66690	1.0
53.03933	1.7
55.01847	1.3
55.05506	6.7
56.05030	2.0
57.03423	2.0
57.07049	3.8
57.85087	1.1
58.74573	1.1
60.04520	2.5
67.05158	1.8
67.05496	20.4
69.03416	4.9
69.07059	6.4
71.04980	3.7
71.08620	1.3
71.61977	1.0
71.62411	1.7
79.05042	1.6
79.05481	16.8
80.04992	2.7
80.75644	0.9
81.03399	4.2
81.05762	2.6
81.07049	20.6
82.06574	3.4
83.04972	3.1
83.08602	6.2
85.02887	2.1
85.06537	2.8
87.04456	3.0
91.05451	11.2
92.05796	1.2
93.07037	28.2
94.06558	17.4
95.04972	6.7
95.08594	23.2
96.08099	3.0
97.02870	2.2
97.06519	6.5
97.10134	2.1
105.07034	12.8
106.07333	1.5
107.04897	1.1
107.07329	2.0
107.08557	6.4
109.06512	1.9
109.10124	3.8
110.09679	10.1
111.08058	14.7
117.07005	2.3
119.08566	4.9
120.08080	1.2
120.08897	1.4
121.06473	1.1
121.10135	3.1
122.09656	35.9
122.10458	1.6
123.08054	25.6
125.09628	1.5
128.10701	31.9
129.05409	0.9
129.06975	1.2
131.08531	3.0
133.10112	4.4
134.88620	1.0
135.11662	2.9
139.96043	1.2
140.10687	100.0
141.09081	12.2
143.08537	1.4
145.10114	4.5
147.11678	2.9
149.09602	1.4
149.13260	3.0
157.10103	2.1
158.11757	7.7
159.11708	2.1
161.13243	1.2
163.11198	1.6
165.09079	1.4
167.99184	1.1
171.11726	1.2
197.13338	1.4
201.14835	2.1
213.16251	1.2
240.24052	1.2
269.17572	1.6
272.25766	7.5
274.18961	1.3
275.20020	3.0
313.27173	1.0
364.32004	2.3
376.32291	1.4
382.32983	8.2
394.33160	18.3
395.27887	3.9
412.34177	81.7
460.06802	1.2
574.34625	1.5
592.35760	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89048	3.3
54.18404	3.0
55.05494	12.9
57.03408	6.2
57.07057	3.3
67.05499	38.9
69.03402	3.5
69.07059	9.6
71.08615	19.9
71.63062	5.2
79.05484	40.4
81.07045	39.6
83.04970	8.2
83.08589	5.9
91.05467	33.5
93.07037	48.1
93.71307	3.2
95.04958	10.5
95.08608	22.0
97.06550	7.1
97.10117	3.4
99.08065	11.7
105.07027	23.8
107.04947	7.6
107.08598	19.7
109.10136	8.9
117.07058	3.6
119.08559	19.5
121.10126	13.7
123.08012	3.9
129.07018	6.5
131.08531	8.8
133.10132	9.7
135.11699	16.9
143.08559	5.4
145.10052	6.9
147.11668	12.2
149.13235	4.5
151.11165	7.2
157.10208	3.3
159.11635	4.5
161.13226	12.8
163.11211	3.8
171.11650	11.3
174.88181	3.3
179.14285	46.9
207.13786	10.2
277.21631	33.4
281.17432	52.4
351.25363	20.7
532.23926	7.1
557.38257	100.0
558.39099	3.9
592.26190	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	591.2592
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
55.05499	1.7
65.08791	0.8
67.05478	1.6
69.07049	1.1
69.68305	5.3
71.75803	0.7
79.05466	1.4
81.07043	2.7
83.08607	0.7
91.05440	0.6
93.07043	2.3
95.08600	2.5
105.07032	1.6
107.08577	1.1
109.10145	1.3
119.08566	1.4
121.10152	0.8
131.08540	1.4
133.10075	1.3
143.08607	0.8
145.10092	1.0
155.08563	1.0
157.10118	1.0
159.11761	1.0
165.41986	0.8
167.08623	0.7
169.10080	1.9
171.11702	1.5
181.10129	1.2
183.11710	1.2
195.11674	2.3
197.13303	1.6
209.13252	1.0
211.14813	0.9
401.17517	0.9
410.95563	0.7
415.18988	3.6
416.19986	1.6
429.20850	4.9
430.21558	3.2
431.22159	2.3
443.22336	2.1
444.23517	6.0
444.83804	0.8
445.24445	3.3
459.20825	1.5
459.25531	2.8
472.22531	3.4
473.23068	4.1
474.23862	2.1
485.23129	1.8
486.23941	0.8
487.24872	18.4
488.25070	1.1
489.22937	2.1
503.24759	1.7
517.40332	1.0
531.23865	14.2
532.24512	6.1
535.41498	1.1
541.20599	0.8
573.42566	1.2
591.25922	100.0
591.43896	14.8
592.26050	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	591.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06313	0.6
50.57405	0.5
52.51553	0.5
55.01869	1.1
57.03424	0.8
57.53785	0.5
58.99863	0.8
61.02931	1.1
69.03423	4.6
70.06591	0.9
71.61266	0.8
73.02902	1.2
73.06536	0.7
77.00897	1.2
81.03394	2.0
81.54733	0.5
82.99873	0.8
84.04534	0.6
84.08122	0.6
85.02893	11.1
85.06520	0.9
86.03245	1.1
89.25018	0.5
91.03926	0.7
91.05509	0.9
95.01985	0.6
97.02872	3.4
98.97578	1.0
99.04423	0.7
101.00856	4.2
109.02856	1.7
112.07662	0.6
113.00873	1.5
115.02437	2.0
116.98564	0.8
118.01143	0.8
119.01900	15.6
119.04952	1.6
121.01633	0.7
121.02848	2.4
121.06494	1.6
123.04422	2.0
127.02412	0.7
127.03897	3.6
129.03987	1.1
131.01886	12.3
131.05553	2.6
132.01984	0.6
133.03465	5.9
135.04451	0.8
136.06180	1.1
137.00871	0.9
137.02956	2.9
137.05931	5.0
139.03902	1.6
143.01872	18.1
144.01981	1.0
145.01683	1.1
145.03485	5.1
145.04900	3.5
147.01381	1.8
147.04425	5.2
149.02954	2.2
149.06648	6.0
150.05457	1.0
151.06361	0.6
155.01868	13.2
155.05461	1.2
156.02716	1.3
157.03510	3.0
159.05045	1.9
160.07567	4.0
161.02934	34.4
162.03110	1.3
162.05554	0.9
163.02708	1.2
163.03957	2.0
163.06026	0.6
167.07024	4.8
169.03503	0.8
171.05045	2.4
173.02945	13.5
173.04303	1.0
173.06577	17.0
175.02678	0.6
175.04559	1.2
175.06390	0.9
177.06158	3.6
177.10283	0.8
179.03975	0.7
179.07053	1.0
181.08667	1.4
183.05124	0.9
184.04500	1.4
185.03014	2.0
185.04897	1.4
185.06572	22.6
187.04597	1.5
187.06628	0.8
187.08104	4.1
190.05042	1.9
191.07625	9.7
195.05023	1.4
196.02219	0.8
197.03018	1.4
197.06625	2.1
197.08191	0.6
199.04533	0.9
199.08115	2.0
201.06050	1.5
203.04044	3.1
203.07614	15.9
204.07877	0.6
205.09254	1.6
209.06593	0.8
213.02487	2.9
215.07613	8.8
217.09276	1.1
219.01953	0.9
219.05093	1.7
219.07170	1.1
221.02927	0.7
221.05009	15.2
223.04771	1.6
225.06102	0.7
226.05582	0.6
226.09247	0.7
227.07466	4.0
231.03415	1.3
233.08682	3.1
237.02666	2.2
237.06134	2.1
237.08713	0.7
244.04349	4.4
245.04912	1.7
247.04675	0.9
249.02550	1.2
249.06018	1.3
253.05327	0.6
255.03542	2.3
257.08719	2.5
261.06238	0.9
263.03851	1.1
264.04700	0.9
265.05252	0.7
267.03537	2.3
267.07135	2.9
273.08194	1.1
275.09735	21.9
277.05563	0.8
277.09653	1.3
279.03522	0.8
279.07178	0.9
281.05002	2.3
285.04639	1.0
285.08176	1.1
287.09784	1.0
289.09311	0.8
291.03635	1.0
293.10788	22.9
294.10928	0.9
295.10672	2.0
297.04459	0.7
302.10953	0.8
303.03467	0.8
304.09662	2.1
304.59808	1.0
305.10806	1.5
306.10941	0.6
307.06476	1.3
309.08359	1.0
316.12372	1.1
317.11362	0.9
317.61523	1.2
318.11459	0.9
321.04581	0.9
321.08096	0.7
333.10205	2.1
334.10629	0.9
339.05521	6.1
339.09137	1.1
348.06943	2.5
357.06616	1.7
370.11703	1.0
381.10434	2.0
385.12338	1.0
393.11191	0.7
399.11371	3.3
411.11682	2.0
429.12308	10.2
437.15186	1.3
573.15906	1.1
591.17633	100.0
592.17859	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	590.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69627	2.2
53.03938	2.1
53.05159	2.0
53.28608	1.8
55.05500	11.0
56.87923	2.1
57.03424	15.3
57.07069	37.3
57.11073	2.0
67.05214	2.0
67.05496	22.0
69.03402	2.3
69.07064	13.8
69.62279	12.5
71.04958	3.0
71.08617	26.3
75.04220	1.9
79.05466	13.2
81.03404	48.7
81.07040	24.5
82.07385	2.6
83.04961	2.6
83.08603	18.3
84.05542	2.0
85.06527	2.5
85.10159	14.4
91.05460	24.3
91.57610	2.3
92.05790	2.8
93.07014	13.4
95.04951	13.9
95.08593	27.3
96.08913	2.2
97.06516	2.9
97.10147	6.7
105.07026	20.5
106.07354	3.6
107.08582	9.2
109.10126	11.8
111.08061	3.9
117.06994	2.6
119.08578	17.2
120.08887	3.3
120.43124	2.1
121.10120	7.4
123.11706	4.9
129.06999	4.0
131.08554	10.4
133.06474	2.5
133.10141	9.5
134.10446	3.8
135.11716	2.9
136.11986	2.1
145.10069	4.9
146.10466	3.3
147.11649	14.7
148.12038	4.1
149.13249	2.9
157.10074	7.3
159.11646	4.0
160.11913	3.0
161.13220	5.2
162.13589	2.2
166.62860	1.8
175.11133	5.8
175.14830	3.4
193.12234	17.6
197.85831	2.0
241.19431	9.2
242.19769	6.4
249.14839	2.6
259.20483	15.6
260.20917	18.5
267.15872	87.5
295.54730	2.1
307.38269	2.2
313.27319	100.0
314.27667	18.9
333.24149	8.2
334.24524	10.2
451.82361	2.1
500.32501	2.1
505.38831	61.6
506.39041	4.0
572.47296	4.7
590.48517	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	590.462
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67105	1.9
55.05503	8.1
57.03424	13.9
57.06815	2.5
57.07071	31.2
63.85131	2.0
66.56276	1.8
67.05498	21.1
69.07049	8.7
71.08622	22.0
79.05476	9.0
81.03407	53.7
81.07037	22.9
83.04977	2.7
83.08596	19.6
85.10180	13.3
89.06030	3.5
91.05463	16.0
93.07024	7.6
95.04958	15.5
95.08594	19.7
97.06510	2.7
97.10162	3.1
98.20753	4.2
100.19880	1.9
105.06997	14.2
107.04953	3.3
107.08622	4.0
109.06496	3.2
109.10149	12.7
111.08054	5.5
115.75083	2.3
119.08582	9.9
121.10139	5.0
121.67780	2.1
129.06999	5.8
131.08568	7.6
133.06468	2.3
133.10112	7.8
135.11758	3.2
147.11678	7.7
149.09601	3.2
157.10120	7.8
161.13202	2.4
171.15771	2.4
175.11160	5.7
185.13229	2.4
193.12207	17.2
241.19389	2.6
249.14809	2.7
257.24875	3.3
259.20612	2.5
260.20993	6.7
267.15875	100.0
313.27313	94.8
314.27603	7.6
333.24130	4.5
334.24509	4.5
505.38834	85.6
506.39102	4.0
548.72131	2.1
590.48645	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	590.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01860	10.9
55.05507	15.4
56.60291	1.6
57.03428	4.6
57.07069	2.7
58.31463	1.7
62.24649	1.7
67.05495	33.8
69.03417	1.9
69.07061	21.1
69.40967	17.3
71.04943	2.3
73.06547	2.5
79.05484	37.6
81.03403	7.6
81.07044	40.3
83.04968	9.3
83.08605	7.7
85.06545	2.7
89.06030	1.7
91.05467	46.3
93.07032	41.7
95.01331	5.9
95.04960	11.9
95.08588	29.0
97.06504	26.1
105.07014	51.5
107.04941	11.4
107.08560	17.5
109.06504	4.5
109.10148	6.6
110.11996	1.6
117.07003	10.7
119.08560	30.5
121.06492	3.2
121.10116	9.6
123.08056	4.1
125.09588	2.3
129.06993	5.1
131.08549	14.0
133.10112	25.7
135.08015	3.0
135.11696	5.6
139.07526	2.2
141.06912	2.1
143.08545	6.1
145.10115	11.3
147.08034	1.8
147.11673	22.0
149.09608	5.4
149.13322	2.1
159.11638	8.9
161.09566	2.0
161.13229	5.0
163.11191	4.1
165.09146	1.9
169.10144	2.1
171.11639	10.0
173.13258	3.2
175.11192	1.9
177.12662	1.9
179.14267	8.0
207.13780	9.3
239.17825	1.8
257.18991	4.0
263.16544	1.7
275.20016	59.1
279.15857	2.0
281.17441	42.4
293.21033	3.9
349.23718	21.9
549.11218	1.7
555.36707	100.0
556.36792	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.7
57.03426	11.1
57.07068	49.4
67.05495	41.5
69.07066	22.6
69.68562	6.1
69.68961	15.2
71.04990	3.4
71.08618	31.3
77.00868	2.1
79.05483	33.3
79.24263	2.1
81.07047	44.4
83.08588	15.7
84.41312	2.6
85.06501	3.1
85.10164	16.6
91.05467	38.3
93.07024	37.4
95.04952	6.3
95.08590	44.9
97.06513	4.6
97.10147	8.6
98.21442	2.8
99.08095	4.5
105.07018	59.5
107.08574	24.0
109.10137	17.9
109.84881	2.9
117.07017	8.4
119.08566	48.7
121.10132	19.4
123.11691	5.5
129.06976	9.8
131.08531	21.2
131.49153	2.8
133.10100	36.0
135.11632	13.5
143.08525	8.3
145.10100	19.0
147.07826	2.6
147.11659	39.6
149.13239	14.4
151.51329	2.6
157.10086	10.5
159.11635	15.1
161.13226	34.0
163.14772	2.8
171.11649	13.4
173.13251	11.7
175.14795	16.4
185.13248	11.2
187.14835	4.6
199.14828	5.5
213.16418	3.0
231.21208	7.4
239.23822	5.4
241.19478	40.0
259.20551	96.2
267.15897	5.2
274.21732	2.6
277.21375	4.2
298.79602	2.7
313.27310	100.0
315.23077	8.4
333.24173	46.6
571.46991	13.1
589.47864	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.9
53.03926	3.1
55.01855	1.6
55.05266	0.9
55.05502	12.4
57.03429	12.3
57.07064	40.5
58.22517	0.6
65.03921	1.3
67.05492	38.4
69.07055	18.2
71.02267	2.0
71.04953	2.2
71.08617	30.5
77.03889	1.0
79.05476	32.5
81.07042	42.2
83.08604	15.2
85.06525	2.2
85.10168	15.4
89.05992	0.9
91.05462	42.7
93.07027	36.2
93.07568	0.7
95.04956	3.9
95.08588	42.7
96.08904	1.0
97.06512	2.4
97.10132	6.3
99.08060	2.9
99.68684	0.8
103.05454	1.3
103.07517	0.9
104.06286	0.7
105.07011	54.2
107.00069	0.7
107.04899	0.7
107.08571	23.0
109.06524	1.0
109.10133	18.6
111.08043	1.1
111.11671	1.7
113.09613	1.3
115.05455	1.2
117.06995	11.3
119.08559	41.7
121.10117	18.4
123.08096	1.4
123.11688	7.7
125.09578	1.2
128.06149	1.3
129.05460	1.1
129.06987	9.2
131.08543	16.1
133.10106	37.8
135.08000	1.3
135.11671	18.2
136.12920	0.8
137.09581	1.8
137.13193	1.8
143.08543	8.1
144.09302	1.0
145.10091	17.3
147.11656	40.0
149.09549	1.9
149.12141	1.2
149.13237	10.5
151.11105	1.2
151.14787	1.0
157.10107	7.2
159.11655	17.3
161.09584	0.9
161.13223	29.4
163.11169	1.2
163.14803	2.1
168.29500	0.8
169.10063	1.2
171.11652	11.2
173.13237	9.8
175.11195	1.1
175.14795	11.2
177.12766	1.7
183.11687	1.2
185.13211	8.6
187.14671	3.4
189.12653	0.8
189.16302	1.1
197.49489	0.8
199.14767	5.4
201.16394	1.7
203.14296	1.5
213.16362	2.2
215.17883	1.7
217.15779	1.2
217.19569	1.5
218.17810	0.7
221.22479	1.2
231.17468	1.2
231.21001	8.3
239.23613	5.2
241.19473	36.0
243.20956	1.5
257.24695	2.1
259.20529	95.4
260.20908	1.6
275.19937	1.7
276.99893	0.8
277.21524	2.3
311.25534	0.9
313.27307	100.0
314.27582	2.6
315.23114	7.9
333.24173	53.9
334.24670	2.1
351.25446	1.9
353.01791	0.8
497.43484	1.7
553.06250	0.8
571.47144	12.7
589.48254	19.5
589.57629	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.4
55.01853	5.1
55.05503	30.8
55.42099	1.4
56.48099	1.4
57.03423	6.1
57.07071	1.9
62.80646	1.3
65.03920	2.6
67.05495	49.7
69.03423	8.4
69.07060	25.3
70.87493	3.9
71.04979	2.6
79.05483	51.3
81.03397	10.3
81.07045	49.0
83.04975	11.2
83.08606	12.6
85.02914	1.3
85.06523	2.2
87.21242	1.4
91.05466	44.5
93.07032	50.4
95.04949	21.4
95.08595	30.1
97.02867	4.9
97.06534	7.4
97.10151	17.9
99.08069	1.5
100.18904	1.5
103.05399	2.0
105.07014	34.9
107.04939	11.1
107.08575	19.9
109.06509	7.8
109.10139	14.3
110.31583	1.4
111.08063	2.6
115.05421	2.6
117.07023	13.8
119.04901	1.8
119.08562	25.4
120.08960	1.5
121.06517	4.4
121.10117	9.3
123.08035	12.2
123.11694	4.8
125.09599	11.4
128.06200	2.3
129.06963	12.8
130.07738	1.6
131.08554	13.3
133.06413	4.0
133.10106	13.5
135.08018	4.1
135.11667	5.6
137.09586	4.7
142.07779	2.3
143.08549	11.1
145.06473	1.8
145.10129	14.0
147.08034	7.7
147.11658	22.7
149.09593	2.8
149.13216	2.0
157.10126	6.3
157.11284	1.4
159.11682	5.8
161.09595	6.0
161.13261	9.7
163.11119	3.3
165.09085	4.2
169.10095	3.9
169.12170	3.1
171.11665	17.8
173.13306	2.8
175.11150	2.9
177.12825	2.1
181.10164	1.5
183.11771	1.5
187.13245	3.0
187.14865	1.8
189.11150	5.4
189.12749	6.0
193.12233	2.1
197.13231	1.5
206.23982	1.4
207.13809	15.2
223.13240	15.8
227.12720	12.4
227.17754	1.8
245.19067	2.5
249.14806	5.5
253.14191	1.6
255.17419	2.4
263.16370	1.7
267.15979	1.7
273.18484	19.1
281.17453	35.5
282.17630	1.7
291.19498	100.0
292.19769	1.6
347.22076	4.6
365.23224	30.0
366.07202	1.6
366.23514	2.5
473.28674	2.7
553.34790	3.3
571.36243	99.5
572.36365	3.9
589.37311	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	589.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01866	0.5
55.05493	1.2
57.03421	1.4
65.32831	0.3
67.01852	5.5
67.05492	2.9
68.57670	0.3
68.99773	3.0
69.03423	3.2
69.07047	1.5
70.15303	0.6
70.15714	1.1
71.04977	1.3
73.02888	0.5
79.01851	0.4
79.05478	2.6
79.59353	0.3
79.67271	0.4
81.03403	5.1
81.07042	13.9
83.01338	0.4
83.04955	0.7
83.08595	0.6
85.02886	4.2
85.06524	2.7
87.83902	0.3
91.05459	5.8
93.07032	5.1
94.93424	0.3
95.04964	2.8
95.08593	1.4
97.02883	5.2
97.06481	0.7
98.21351	0.5
99.04436	1.5
101.05952	0.4
105.07013	1.7
107.04948	2.3
107.08574	1.6
109.02850	4.0
109.06496	12.0
109.10135	2.3
111.00738	0.6
111.08058	0.6
113.05967	0.9
117.07040	0.6
119.04920	6.7
119.08538	1.4
121.02866	1.5
121.06489	3.0
121.10119	1.3
123.04422	2.0
123.08030	1.0
123.11671	0.4
125.02355	0.5
125.09579	0.9
127.03900	4.9
127.07522	4.3
127.11107	0.4
129.01833	1.3
129.06941	0.5
131.08556	0.9
133.06439	0.4
133.10095	1.7
135.08076	0.5
135.11693	1.1
137.05952	22.5
137.09575	1.2
138.06403	0.4
139.03883	0.4
139.07484	0.7
139.11169	0.6
143.08553	0.4
145.02812	0.5
145.04941	2.5
145.10063	1.1
147.04382	17.4
147.11697	0.7
149.09596	0.7
151.03902	0.8
151.07472	0.4
153.01801	62.1
153.12726	0.3
154.02118	0.7
155.07010	5.9
155.10591	0.6
157.06342	0.4
157.10126	0.4
159.11655	1.0
161.05919	0.4
161.09613	0.7
163.03899	1.0
163.07523	0.6
163.11157	0.4
163.24562	0.3
165.01866	0.8
165.05455	0.6
165.09099	0.6
169.10109	0.3
171.02858	51.0
171.11694	0.4
172.03197	0.5
173.08086	3.6
173.13229	0.6
175.14891	0.4
177.01791	1.3
177.05447	1.1
177.09109	0.4
179.03362	2.0
183.02835	0.9
189.01779	0.4
189.05470	0.5
191.03340	1.7
193.01463	0.5
193.12387	0.4
195.01071	0.7
195.02863	11.8
197.13168	0.3
205.04823	0.4
207.02873	0.5
207.06416	0.9
209.15355	0.4
215.03348	0.9
217.01213	0.5
219.02869	2.2
221.08110	0.5
231.06535	0.8
233.04449	0.6
243.02792	1.1
261.03922	4.8
273.07523	100.0
274.07855	1.9
279.04843	0.5
281.10181	0.9
285.07492	0.9
287.05185	0.4
297.07474	2.4
299.05579	3.0
299.11145	2.9
315.08603	5.6
317.12354	0.4
339.08527	3.3
363.08633	2.2
381.09668	4.5
399.10553	1.0
415.09863	0.4
417.12204	0.4
433.11209	0.8
437.14005	0.4
483.88461	0.4
589.35791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.1
55.01845	1.4
61.02895	0.5
65.03927	1.4
67.05476	0.5
69.03425	0.6
69.28465	0.4
70.06551	0.4
71.61667	0.8
75.04462	2.8
78.04690	1.1
79.05473	1.6
81.03394	1.2
81.07047	0.7
85.02885	4.4
86.09703	0.5
89.03887	0.8
89.06002	0.9
91.04887	0.5
91.05467	9.7
91.06043	0.4
91.32870	0.5
93.03391	8.6
93.07035	3.7
95.04948	2.7
97.02864	1.0
97.06521	2.4
99.04481	0.9
103.05450	4.9
105.03364	0.6
105.07026	4.2
105.72739	0.4
106.04154	19.6
107.04955	1.1
109.02810	0.5
109.06487	1.5
111.04454	0.8
112.05052	1.0
114.79404	0.4
115.05421	0.6
117.03361	1.2
118.04155	0.9
119.04922	1.9
119.08508	0.4
121.06484	21.8
122.07227	0.5
123.08078	1.2
125.05968	6.5
127.03899	1.4
131.04883	1.6
133.02853	3.0
133.06476	3.1
134.03619	2.9
134.89230	0.4
135.04366	2.1
135.08052	0.9
137.05966	4.4
137.09570	1.0
138.06735	1.1
139.07573	2.4
145.02820	2.1
145.04929	0.6
147.04356	2.3
148.03955	0.5
148.05142	2.0
149.05963	36.8
151.03966	0.8
151.07523	1.9
153.05414	1.1
153.09088	9.4
161.05949	7.4
163.03888	7.1
163.07529	2.9
165.05457	1.6
165.09041	0.8
166.06207	0.8
166.23439	0.5
167.07034	1.6
177.05438	19.4
177.08852	0.5
179.07011	1.9
181.08571	17.2
187.07532	0.6
189.09097	0.5
191.07002	13.7
191.08739	0.7
193.08574	8.0
209.08060	100.0
209.15350	1.9
210.08397	1.1
217.08521	0.6
227.16408	2.6
301.82278	0.4
339.12418	0.5
341.13803	1.4
371.14932	0.8
389.16110	0.8
586.19684	0.7
608.26990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
53.42907	0.2
55.01884	0.2
55.05504	0.2
57.03418	0.7
61.02908	0.9
65.03934	1.4
66.22520	0.2
69.03423	1.8
69.07053	0.3
70.06583	0.3
71.01350	0.2
71.05002	0.4
71.62434	0.2
71.62801	0.2
79.05486	0.2
81.03395	0.7
81.07054	0.6
81.98691	0.2
83.04958	0.2
85.02896	7.2
86.06059	0.7
86.09699	0.9
91.05468	100.0
92.05798	0.8
93.07058	0.3
95.05020	0.2
95.08585	0.5
97.02869	2.5
97.06516	0.6
99.04431	0.5
105.07048	0.3
107.04941	0.3
107.08529	0.3
108.82229	0.3
109.02862	1.0
111.40638	0.3
115.04649	0.2
117.03349	0.3
119.04916	0.3
120.08175	0.5
121.02866	0.5
121.06474	0.2
123.04470	0.2
126.05545	0.5
127.03902	2.5
137.02350	0.3
141.09142	0.2
145.02794	0.4
145.04945	3.5
145.15163	0.2
147.04413	0.8
153.01732	0.2
154.04985	0.5
157.79352	0.2
163.06017	0.9
167.03377	0.9
167.07059	0.6
176.69606	0.2
177.05476	1.0
239.08427	0.3
245.08058	4.8
249.35526	0.3
260.10025	0.3
280.08212	0.3
284.10498	0.2
311.05615	0.3
317.58386	0.3
383.11246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30733	0.6
53.03933	1.8
55.01865	3.7
55.05499	4.7
57.03413	2.0
57.07048	1.2
57.20642	0.7
59.04955	0.9
66.70712	0.6
67.01851	3.5
67.05492	10.1
68.05830	1.0
68.99785	3.2
69.03406	5.0
69.07061	4.0
69.07362	0.6
69.63737	6.1
71.04977	2.2
79.01826	1.0
79.05478	6.0
81.03404	11.3
81.07040	18.8
83.04953	2.2
83.08596	2.4
84.81197	0.7
85.02887	5.2
85.06516	1.1
91.05466	6.7
93.03382	0.7
93.07024	9.4
94.07365	0.7
95.04944	5.9
95.08590	9.0
97.02863	5.7
97.06505	2.8
97.10104	1.3
99.00809	1.4
99.04434	1.7
99.08048	1.1
103.05428	1.1
105.07007	7.4
107.04933	6.5
107.08578	11.1
109.02863	5.9
109.06487	2.5
109.10146	7.1
110.06807	0.8
111.04414	2.6
111.08045	1.0
117.06989	1.7
119.04911	5.1
119.08581	4.7
120.08859	0.8
121.02859	1.6
121.06490	6.4
121.10139	4.6
123.04414	2.2
123.08006	1.5
123.11700	8.2
125.05968	0.7
125.09586	3.7
127.03880	2.1
129.01794	0.8
129.06975	2.1
131.04868	1.3
131.08534	2.9
133.06441	1.0
133.10089	4.2
135.04366	2.2
135.08038	1.5
135.11646	2.7
137.02411	1.2
137.05952	1.3
137.09564	1.5
137.44136	0.7
139.03870	1.7
139.11113	1.1
141.01787	7.4
142.07690	0.9
143.08537	2.5
145.10114	2.7
147.04385	23.5
147.08038	1.1
147.11658	2.8
149.05978	1.3
149.09596	1.9
149.13159	0.9
151.03888	1.6
151.11139	6.3
153.01804	49.7
153.12727	0.9
154.02219	0.8
157.10114	1.8
159.11572	1.6
161.05925	1.9
161.09557	1.7
161.13202	1.1
163.03926	1.2
163.11169	3.1
165.01808	86.4
165.12738	0.9
166.02136	1.9
169.12236	1.4
171.02863	36.3
171.11647	1.4
173.09563	1.1
173.13156	0.9
175.11172	2.5
177.01707	1.1
177.05374	1.4
179.03374	4.1
179.10674	0.9
181.12204	1.3
183.02856	100.0
183.11769	0.7
184.03203	2.4
185.03360	0.9
185.13190	1.0
189.01720	1.7
189.05418	1.5
191.03375	5.5
193.12210	2.2
195.02876	5.9
199.11121	1.5
203.03461	1.3
203.14330	0.8
205.04871	6.4
205.12285	0.8
207.02858	3.2
211.07513	0.9
211.13280	2.6
215.09052	1.7
219.02846	1.0
225.03917	3.1
229.04919	1.3
229.08664	0.8
231.02815	1.8
231.06406	1.0
240.37366	0.7
243.02937	0.8
243.06339	1.8
245.04414	1.0
247.13225	1.0
259.13260	2.1
261.03870	1.8
271.05948	0.8
273.07516	61.9
277.14267	1.7
285.07535	89.0
286.07852	2.8
287.08109	1.7
291.04831	1.0
295.15363	1.8
297.07452	1.3
301.14343	2.8
303.12241	2.6
309.07529	3.1
315.08521	2.5
325.10553	1.7
327.08673	4.6
335.22409	0.7
339.08459	2.0
351.08615	2.6
353.09448	0.7
363.08777	1.4
381.09680	1.5
393.09546	4.1
411.14417	1.4
423.17911	6.3
429.15530	5.8
447.16299	5.6
465.17554	1.9
531.20142	4.0
549.21436	3.6
567.21863	2.4
567.30066	2.1
585.22906	2.9
585.31879	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	586.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01874	0.4
56.56047	0.2
57.03419	0.7
61.02913	1.1
65.03929	1.9
69.03415	2.8
69.82208	1.0
69.82623	0.3
71.05009	0.2
73.02900	0.7
79.05453	0.3
79.56278	0.2
81.03400	1.3
81.07054	0.6
83.04954	0.3
85.02889	13.2
87.04459	0.4
91.05465	100.0
92.05799	0.6
95.04928	0.3
95.08577	0.2
97.02878	10.5
98.20786	0.2
99.04448	0.6
105.07045	0.3
107.04913	0.3
107.08572	0.5
109.02847	1.5
115.03912	1.2
115.05424	0.2
117.07031	0.5
119.04880	0.2
119.08536	0.2
121.02869	0.2
121.06492	0.2
126.09119	1.2
127.03902	3.0
129.06989	0.6
133.06531	0.3
137.02325	0.5
137.09538	0.2
143.03374	0.3
143.08551	0.4
145.02852	0.3
145.04930	4.8
145.06567	0.4
147.04462	0.4
149.02258	0.2
153.06972	0.3
155.03415	0.2
157.06514	0.4
161.04456	0.5
163.05992	1.6
167.03372	1.7
171.08055	0.6
177.05432	1.1
217.08620	0.8
227.06950	1.0
235.09685	0.6
245.08060	7.3
287.05637	0.6
330.59152	0.2
383.11060	0.3
528.35046	0.2
585.39771	0.4
585.90167	1.4
586.29163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01860	1.5
57.03430	3.2
59.04977	0.3
61.02920	5.8
61.03239	0.3
65.03935	1.7
65.17805	0.2
69.03419	11.2
69.58533	1.1
69.58954	1.0
71.04977	1.5
73.02900	2.4
81.02962	0.5
81.03403	5.2
81.07040	0.3
83.01354	0.6
85.02893	71.0
86.03245	0.3
87.04465	1.7
91.03968	3.3
91.05466	100.0
92.05807	1.1
95.04918	0.3
96.04547	0.2
97.02878	19.3
98.19642	0.3
98.86651	0.2
99.04449	3.7
101.02383	0.3
103.03914	0.9
105.07039	0.3
109.02863	6.7
110.03204	0.3
115.03900	0.8
121.02856	1.9
122.03184	0.6
127.03899	16.8
137.02299	0.8
139.03912	0.3
145.04938	28.4
146.05336	0.4
147.04358	0.4
149.02353	0.7
155.03384	0.6
161.02353	0.3
161.05975	0.3
163.05991	10.5
163.07375	0.5
163.37770	0.3
167.03371	2.5
177.05377	0.4
177.53683	0.3
179.03308	0.6
191.03339	0.4
203.03249	0.4
221.04350	0.7
227.06856	0.4
233.04303	0.9
239.06889	0.5
240.13300	0.3
245.04321	0.8
245.08070	9.3
247.05856	0.3
251.07069	0.6
257.07910	1.0
263.05417	0.5
269.08023	3.0
271.08035	0.3
281.06393	0.9
287.09036	1.1
293.07956	1.1
299.07382	0.5
303.04840	1.1
304.05280	1.4
311.09088	2.0
323.09216	1.8
325.11096	0.5
335.09030	0.6
341.09949	0.3
353.10104	2.3
371.11151	2.1
374.98929	0.3
383.11035	0.8
389.12289	2.9
524.79370	0.3
530.71332	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
57.03428	2.3
57.93525	1.1
58.99833	1.3
61.02917	2.6
61.69850	1.1
62.70417	1.1
69.03419	6.7
71.62076	1.5
71.62472	1.8
73.02925	1.8
77.00914	1.8
81.03416	3.8
82.99867	1.2
83.04966	1.5
85.02887	19.0
85.06548	4.2
95.04980	1.6
97.02857	8.8
98.06107	1.2
98.97572	2.2
99.04430	2.1
101.00859	2.9
105.00354	1.2
113.77818	1.1
115.02399	1.5
116.98605	1.4
117.03379	1.5
119.01907	15.6
121.02821	7.9
121.06457	2.0
123.04497	1.5
127.03899	5.6
131.01881	7.7
131.77475	1.5
133.03445	2.8
135.04347	2.4
136.06139	1.5
137.02966	2.9
137.05966	3.8
138.09122	1.4
139.03923	2.2
140.03363	1.3
143.01872	15.6
145.01613	3.3
145.03494	9.0
145.04942	5.0
147.01358	1.7
147.04312	8.8
149.04880	1.2
155.01898	11.4
157.03477	10.4
159.05119	1.5
161.02936	30.8
161.06448	1.5
162.03021	1.5
163.02664	4.2
163.03954	9.8
167.01758	2.2
167.05641	1.5
167.06998	4.4
171.04996	6.3
173.02948	16.7
173.06609	5.2
175.02933	1.1
175.04457	5.9
177.05734	1.3
179.02129	1.4
181.08540	1.8
183.04927	1.9
184.04584	1.4
185.02914	6.9
185.06569	12.5
187.04483	2.9
187.08109	2.8
189.06035	4.5
190.04916	2.0
191.07632	2.3
197.02881	2.5
197.06543	6.0
198.98601	1.9
199.08170	2.8
201.06075	3.6
203.03957	15.8
203.07622	7.4
205.05580	3.8
209.06601	1.9
213.06039	5.0
215.03992	1.8
215.07590	6.3
217.05502	2.3
217.09265	1.9
219.01717	1.6
219.07086	3.0
221.05022	62.8
222.05316	2.8
223.04677	3.0
223.06609	2.4
225.06015	1.4
227.07599	3.5
229.09123	1.5
231.07178	6.1
237.02705	1.5
239.07761	2.8
243.07027	3.1
244.06665	3.0
245.05028	28.2
245.08784	2.0
249.06271	1.4
257.05206	2.0
257.08588	7.0
259.06573	2.0
263.06052	2.9
267.07108	1.5
269.08698	4.3
271.06689	2.1
273.08313	6.2
274.08353	1.5
275.09860	22.5
285.08087	1.7
287.09705	40.3
291.09204	1.7
293.10889	14.5
305.10779	64.9
307.08722	5.5
315.09161	13.4
319.12280	2.8
321.10477	6.2
328.12433	2.8
333.10263	100.0
335.11545	2.1
339.09705	2.4
351.11353	27.2
355.53735	1.3
367.10962	2.8
374.13083	6.2
375.11697	2.2
381.93356	1.4
381.99915	1.4
393.12305	2.7
405.16089	16.8
407.14325	1.4
437.14655	7.0
441.76871	1.4
469.11993	1.3
487.13013	7.6
513.16516	4.1
567.21820	11.7
585.11517	6.0
585.21686	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	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.7
53.03943	4.8
55.05503	16.2
57.07067	12.7
59.04989	1.9
64.45197	1.6
65.03947	3.4
67.05496	26.3
69.03424	4.7
69.07069	20.3
69.17707	1.4
70.06564	3.1
71.04999	2.5
71.08629	4.3
79.05484	29.1
80.06263	2.6
81.06574	2.4
81.07050	44.1
81.07511	2.8
83.04983	4.3
83.08591	7.9
85.06524	5.2
85.10178	1.9
87.04517	1.8
89.06022	3.0
91.05476	46.4
93.07037	63.0
93.07619	3.3
94.07349	2.2
95.04955	27.1
95.08600	34.8
96.08968	2.4
97.06520	7.3
97.10190	2.8
98.20753	3.2
103.05481	5.1
105.07024	87.7
106.07843	2.1
107.08588	45.7
108.08874	1.6
109.06501	8.8
109.10147	24.6
109.10831	2.6
111.08062	3.8
115.05452	6.2
115.73291	1.4
116.06194	2.7
116.07044	1.8
117.07008	23.1
119.08572	100.0
120.09430	2.6
121.06508	10.5
121.10135	45.2
121.66471	1.6
123.08044	17.8
123.11670	8.2
125.09626	3.4
128.06197	12.4
129.07001	20.7
130.07779	7.6
131.08546	57.9
131.09492	2.9
132.09296	2.7
133.06500	3.5
133.10121	57.4
134.10890	1.9
134.85001	1.8
135.08063	17.1
135.11691	19.8
137.09616	9.4
138.10365	3.8
139.11169	3.1
141.06973	9.4
142.07771	18.6
143.08554	43.0
144.09354	14.9
145.06512	3.8
145.10107	69.5
145.38542	1.6
147.08086	8.4
147.11682	25.2
149.09610	11.3
149.13264	4.6
151.07458	3.9
151.11169	4.6
153.07033	4.1
154.07704	3.3
155.08530	20.9
156.09357	17.2
157.10114	55.9
158.10921	12.4
159.08075	16.4
159.11679	41.8
161.09641	10.4
161.13301	7.4
163.11194	6.1
163.14787	1.8
165.07019	6.6
165.09070	8.4
166.07742	5.0
166.09430	1.5
167.08549	9.1
167.10724	4.7
168.09412	6.4
169.10110	29.2
170.10808	8.9
171.11673	31.8
171.13100	2.0
172.12376	4.8
173.09642	5.4
173.13255	25.8
174.13860	1.9
175.11182	6.6
175.14812	16.9
177.12814	4.7
179.08543	12.5
180.09337	8.7
181.10117	19.7
182.10884	9.3
183.08194	2.0
183.11691	27.9
184.12466	7.9
185.09647	5.0
185.13269	22.8
186.13986	4.8
187.11172	4.1
187.14767	14.8
189.12801	4.2
189.16371	2.5
190.13614	2.3
191.14330	5.4
192.09377	5.8
193.10088	14.1
194.10828	10.3
195.11665	24.8
196.12448	9.6
197.09633	2.9
197.13248	24.8
198.13887	3.1
199.11230	4.3
199.14810	12.9
200.15625	2.0
201.12759	4.7
201.16457	6.0
203.14340	5.8
205.10213	3.7
205.15916	2.8
206.10948	4.1
207.11732	14.9
207.13586	3.0
208.12433	5.3
209.13245	26.3
210.13927	4.7
211.14793	16.0
212.15369	2.0
213.12842	4.8
213.16379	7.6
217.10132	4.0
217.15891	3.5
218.10902	1.8
218.16664	5.3
219.11708	4.3
219.17451	3.1
220.12495	5.0
221.13266	11.7
221.15433	11.8
222.14052	4.6
222.15900	3.8
223.11241	2.5
223.14771	13.2
224.15730	3.2
225.12791	4.4
225.16379	8.5
227.14378	4.2
229.10120	2.2
229.16020	3.1
231.11734	3.7
231.17416	2.8
232.12433	2.3
233.13202	7.9
233.15463	11.0
235.14827	8.9
236.15549	2.6
237.16362	11.0
239.14162	3.2
239.18001	4.8
241.15836	3.1
241.19658	2.6
243.17467	2.8
244.12543	2.9
245.13203	3.2
246.13989	3.7
247.14900	5.8
248.15561	4.8
249.16403	6.5
250.16927	3.0
251.18094	3.4
253.15932	3.0
253.19620	3.8
255.17412	20.5
256.26434	2.7
257.19009	4.2
260.15598	2.0
261.16440	6.3
263.17917	5.5
265.19449	2.7
267.17484	1.8
267.21008	2.4
268.18155	2.2
269.19037	4.8
270.19809	6.2
271.20581	3.2
272.21396	1.8
273.16223	2.4
274.17032	1.8
275.17899	4.8
275.20480	2.4
277.19412	1.9
281.19043	2.4
283.20557	3.7
284.21213	2.6
285.22226	5.6
287.18118	2.0
289.19351	2.2
290.20374	2.1
291.17380	2.2
291.21039	2.5
295.20432	1.9
297.22134	4.2
298.22672	2.1
300.28940	4.8
301.19363	2.5
309.22446	2.0
311.29437	8.2
319.20560	1.8
321.22037	2.6
335.23813	3.2
337.25269	2.2
345.22098	2.7
354.25705	8.8
360.24423	3.5
361.25540	1.9
362.26111	2.7
365.24808	1.8
367.26355	3.7
371.23032	2.0
446.31708	3.4
477.33688	2.3
492.36011	10.7
566.41156	12.1
584.41992	62.3
584.55743	20.8
603.28497	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.9
55.01850	1.5
55.05495	9.3
57.07067	8.9
58.44699	1.1
59.04998	3.4
65.03926	2.2
67.05485	10.9
69.03420	3.8
69.07059	9.8
69.27321	13.5
70.06563	1.2
71.08607	2.1
79.05476	15.2
81.07043	21.5
83.04976	3.1
83.08603	4.5
85.06516	3.8
89.06023	9.0
91.05457	25.1
93.07024	31.3
95.04948	6.7
95.08589	20.0
97.06510	3.1
97.10130	1.3
103.05394	1.8
105.07008	44.3
106.07813	1.8
107.08570	26.9
109.06485	4.8
109.10126	9.6
111.08063	2.0
111.77587	1.2
115.05449	2.4
117.06977	13.7
119.08559	52.2
120.09346	3.6
121.06492	3.5
121.10122	19.5
123.08029	9.4
123.11671	3.4
125.05958	2.6
125.09615	1.4
128.06201	5.4
129.06966	10.1
130.07782	3.2
131.08546	27.1
132.09276	1.8
133.06493	2.9
133.08548	4.4
133.10094	28.1
135.08034	10.3
135.11661	10.1
136.01791	1.2
137.09584	7.3
141.06963	5.7
142.07745	12.0
143.08531	26.8
144.09337	7.5
145.06456	2.5
145.10094	39.9
146.10808	1.8
147.08028	13.5
147.11655	11.0
149.09575	5.5
151.07518	7.6
151.11165	2.0
153.06998	2.5
154.07671	1.6
155.08533	10.6
156.09303	10.7
157.10089	42.2
158.10895	7.3
158.74333	1.2
159.08047	3.5
159.11662	28.2
160.08835	1.3
160.12318	1.2
161.09633	6.2
161.13217	5.6
163.11133	8.8
165.09090	20.9
166.07802	2.2
167.08479	4.2
168.09256	3.3
169.10095	16.3
170.10863	5.8
171.11667	23.7
172.12431	6.6
173.09589	3.7
173.13232	16.6
174.13676	1.3
175.11137	13.6
175.14801	8.9
177.08990	1.7
177.11217	2.2
177.12665	3.1
178.09956	1.6
179.08537	3.9
180.09370	1.8
180.11389	1.5
181.10069	10.6
181.12178	6.2
182.10864	5.3
183.11652	17.4
184.12415	3.2
185.09674	2.0
185.13190	14.4
187.11136	3.0
187.14761	5.3
189.12712	5.3
190.13521	2.7
191.10576	2.8
191.14268	1.6
193.10236	6.5
193.12228	5.4
194.10817	4.0
195.11676	13.0
195.13504	2.1
196.12401	4.2
197.09476	1.9
197.13272	13.7
198.13919	3.6
199.11105	2.9
199.14734	6.8
201.12704	4.3
201.16338	2.8
203.14253	12.7
205.10103	1.7
207.11618	8.1
207.13739	6.0
208.12415	3.9
208.14525	4.2
209.13232	10.2
210.13872	2.3
211.11224	2.2
211.14786	7.3
213.12700	3.1
213.16318	2.3
215.14206	2.5
217.15829	2.3
219.11765	2.2
219.13757	3.3
221.13246	6.8
221.15295	42.5
222.13908	2.8
223.14740	10.6
224.15462	2.4
225.12701	1.9
225.16309	6.2
227.14223	2.0
233.13113	2.3
234.13962	2.0
234.16090	7.9
235.14771	4.6
237.12698	3.8
237.16347	3.8
239.17967	3.5
241.15765	1.6
243.13722	1.7
245.13206	1.6
247.14658	1.8
247.16875	8.6
249.16376	3.1
251.17966	2.8
253.15851	2.9
253.19528	1.4
255.17387	1.5
256.26373	1.6
259.16888	2.1
263.14417	1.9
263.17810	2.1
265.15778	1.4
271.16885	2.9
271.20331	1.4
281.19022	2.6
283.20523	2.1
285.18558	3.3
286.19296	2.8
287.20154	2.2
296.21231	3.6
299.20068	8.2
300.28983	1.8
305.18942	1.6
311.19910	1.8
311.29456	4.3
312.20700	3.2
312.24213	1.6
321.18427	1.3
325.21637	10.2
337.21548	6.0
339.22897	1.9
352.23880	59.0
353.24094	2.1
365.24612	12.7
371.22791	4.6
376.27557	1.6
378.25320	1.7
383.25647	1.7
391.26364	1.8
397.27197	1.8
398.28040	3.8
404.30371	7.4
411.28778	2.0
412.29645	14.8
423.28812	1.6
425.30423	3.7
431.29114	2.0
438.31271	10.8
439.31528	1.4
474.34784	2.3
489.33713	6.8
491.35104	11.2
492.35547	5.6
504.35901	100.0
505.36313	3.7
566.40948	2.2
584.42047	23.0
584.55817	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	584.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	0.1
53.03935	0.2
54.01829	0.1
55.01867	0.2
55.05507	0.3
57.03432	0.2
60.04522	0.1
60.72774	0.1
61.02917	0.1
62.57014	0.1
67.05495	0.5
69.03414	0.6
69.07047	0.1
71.04980	0.2
71.62650	0.2
73.02876	0.1
77.27940	0.1
78.04683	0.7
79.05476	0.8
81.03409	0.6
81.07048	0.6
83.04992	0.1
83.08598	0.2
85.02888	1.5
86.09721	0.2
91.05453	0.6
93.07030	0.6
95.04959	0.5
95.08575	0.4
97.02877	0.6
97.06503	0.3
99.04416	0.2
100.37484	0.1
103.05436	0.3
104.10748	0.5
105.07015	0.8
106.04153	0.4
107.04954	1.1
107.08581	0.3
109.02863	0.3
109.06503	0.2
109.10098	0.5
110.10512	0.1
111.04432	0.2
111.08080	0.2
115.05467	0.2
117.06961	0.1
119.04908	0.2
119.08554	0.3
120.08082	0.1
121.02867	0.2
121.06484	0.7
121.10126	0.4
122.03629	0.2
123.04415	2.6
124.05210	1.0
124.99966	0.1
125.09555	0.1
127.03864	0.3
133.06473	0.6
133.10115	0.2
134.03584	0.2
135.04404	0.2
135.08049	0.1
135.11674	0.2
137.05928	0.5
139.03870	0.1
139.07555	0.1
144.06541	0.2
145.02750	0.2
145.04889	0.2
145.10112	0.2
147.04410	0.5
147.11702	0.2
148.04678	0.1
149.05930	0.8
149.09587	0.1
151.03876	0.5
151.07507	0.2
152.04678	1.1
153.01778	0.1
154.06236	0.2
155.06976	0.1
159.11682	0.1
161.05994	0.7
162.07607	0.3
163.07510	0.2
165.09137	0.2
167.07011	100.0
168.07384	0.8
171.02792	0.1
177.05481	0.3
179.06987	0.4
180.08659	0.4
181.08586	0.8
184.07315	0.5
193.08571	4.2
205.08626	0.1
211.09621	18.2
212.10019	0.2
215.01408	0.1
235.09561	0.1
474.59116	0.1
566.31305	0.1
584.30426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.05497	6.0
57.07065	7.6
59.04982	2.1
65.03921	1.7
67.05488	9.6
69.03403	3.8
69.07056	7.3
69.38339	9.8
79.05470	13.8
81.07030	14.8
81.87521	0.8
83.04977	2.2
83.08591	2.9
85.06527	3.6
89.05997	3.5
91.05460	20.2
91.06001	1.7
93.07018	28.0
95.04941	6.6
95.08582	17.7
97.06508	1.7
97.10156	1.0
100.06985	1.0
103.05431	2.7
104.06210	1.0
105.07008	38.6
106.07787	1.6
107.08564	26.7
109.06486	6.0
109.10147	9.6
111.08060	1.4
111.11652	1.0
115.05434	2.9
117.06979	11.5
119.08559	52.8
120.09322	3.6
121.06467	3.4
121.10114	17.0
123.08064	7.0
123.11691	3.1
125.05952	2.7
125.09597	1.6
128.06181	3.9
129.06955	10.5
130.07774	3.6
131.08534	25.3
132.09344	2.0
133.06473	1.5
133.08554	1.6
133.10100	26.4
135.08020	9.2
135.11650	8.9
137.09586	7.0
139.07538	1.4
141.06966	3.2
141.09000	1.0
142.07736	9.8
143.07471	1.9
143.08533	23.3
144.09340	5.3
145.06549	1.2
145.10083	35.1
146.10838	1.9
147.07988	11.0
147.11670	11.4
149.09579	4.0
149.13327	1.4
151.07474	5.4
153.06934	1.8
154.07722	1.2
155.08513	9.1
156.09337	9.6
157.06517	1.1
157.10095	35.1
158.10892	6.8
159.08041	3.9
159.11647	22.2
160.12390	1.5
161.09607	4.6
161.13220	5.2
163.11159	5.7
165.06956	2.1
165.09090	13.7
166.07748	1.2
167.08533	4.3
168.09322	4.0
169.10091	13.0
170.10870	6.5
171.11664	17.9
172.12402	6.7
173.09607	3.2
173.13228	13.7
175.11127	7.9
175.14758	8.1
177.09064	1.1
177.12657	2.0
179.08527	4.4
180.09311	2.9
181.10052	8.2
181.12172	5.8
182.10950	4.6
183.11661	14.4
184.12286	2.9
185.09586	1.3
185.13226	12.3
186.13950	1.9
187.11130	2.8
187.14787	5.5
188.11812	1.0
189.12675	4.7
190.13501	3.8
191.10663	1.3
191.14169	2.2
192.09291	2.3
193.10283	5.0
193.12067	5.8
194.10866	3.0
195.11679	11.1
195.13490	1.8
196.12387	3.5
197.13222	14.1
198.13925	2.1
198.19992	1.0
199.11174	2.3
199.14810	5.0
201.12691	3.5
201.16418	2.9
203.14276	10.7
206.10892	2.2
207.11673	5.9
207.13770	6.3
208.12433	3.9
208.14583	3.0
209.13220	11.8
209.15129	1.9
210.13910	1.9
211.11072	2.2
211.14787	6.6
213.12769	2.2
213.16321	2.5
215.14354	2.3
217.15787	1.8
219.11636	1.8
219.13583	2.0
220.12492	1.8
221.13176	6.1
221.15277	44.7
222.13863	2.6
222.15765	1.9
223.11214	1.8
223.14772	6.9
225.12657	3.2
225.16333	3.6
227.14311	2.3
229.15878	1.5
233.13052	2.4
233.15260	2.0
234.13998	2.0
234.16115	8.4
235.14824	4.2
237.12685	4.8
237.16338	4.6
239.14264	1.7
239.17857	1.3
241.15778	1.2
245.13159	1.4
247.14716	1.9
247.16911	7.8
249.16371	2.4
251.14206	1.6
251.17847	2.8
253.15840	2.4
253.19319	1.4
255.17470	2.0
259.17078	1.1
261.16400	2.1
263.14288	1.2
263.17795	1.9
265.15952	1.4
265.19418	2.1
271.16833	1.9
271.20621	2.4
275.17911	1.2
277.15845	1.4
279.17508	1.0
281.19003	1.3
285.18417	1.5
286.19171	2.6
287.20032	1.3
297.18616	1.7
297.22031	1.8
299.20099	7.0
300.20673	2.1
309.18613	1.8
309.22052	1.2
310.19180	1.0
311.19989	1.9
311.29419	1.3
312.20752	2.4
312.24420	1.6
319.20334	2.4
321.18289	1.9
325.21631	9.8
326.22073	1.1
337.21561	6.8
352.23889	58.2
353.24268	2.8
356.99091	1.1
361.25229	1.3
365.24716	9.5
371.22754	1.6
376.27588	1.6
378.25278	2.0
391.26208	3.3
397.27277	1.5
398.28091	5.2
404.30673	5.2
411.28827	3.4
412.29706	13.8
425.30228	3.8
438.31085	13.6
464.32559	1.4
474.34634	1.4
489.33429	5.8
491.35165	9.8
492.35519	3.4
504.35864	100.0
505.36035	7.2
566.40851	2.3
569.39746	2.8
584.42078	18.7
584.55902	4.3
585.43298	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.9
53.03938	2.3
55.01841	1.1
55.05503	10.5
55.41762	0.8
57.07064	7.5
59.04980	2.7
62.12496	0.8
65.03922	2.3
67.05494	15.9
69.03423	5.2
69.07056	12.5
71.04961	1.1
71.08595	0.8
71.87265	0.8
75.51518	0.7
77.03896	0.9
77.41209	0.8
79.05048	1.3
79.05483	18.2
81.03422	1.1
81.07048	22.6
82.69465	0.7
83.04987	4.6
83.08616	5.6
85.06526	3.9
91.05466	30.0
93.07030	39.2
95.04952	9.7
95.08591	27.5
97.06503	4.1
98.20767	1.9
100.11261	0.9
103.05424	1.9
105.07014	48.0
107.08580	30.0
109.06490	6.3
109.10141	12.8
111.08070	2.6
111.84315	0.8
115.05421	3.0
116.06187	0.8
117.07001	12.0
118.22598	0.9
119.08566	52.8
121.06483	3.7
121.10120	31.2
123.08051	15.0
123.11690	3.7
125.05987	2.0
125.09577	1.2
128.06171	5.3
129.06999	11.4
130.07761	5.1
131.08542	22.9
131.09505	1.5
133.06503	1.6
133.10109	24.1
135.08015	7.4
135.11662	8.8
137.05960	1.5
137.09590	8.9
139.11131	1.4
141.06995	6.5
142.07755	15.7
143.08551	28.1
144.09354	4.7
145.06487	1.6
145.10100	34.7
147.08026	14.8
147.11664	11.2
149.09586	5.6
149.13266	2.1
151.07526	14.9
151.08643	1.6
153.06964	3.1
154.07765	1.6
155.08528	11.9
156.09308	12.0
157.10100	41.5
158.10901	5.6
159.08047	3.3
159.11678	17.0
161.09627	4.2
161.13243	7.6
163.11191	5.6
165.07060	4.2
165.09099	26.6
166.07738	2.5
167.08572	7.2
167.10622	6.0
168.09302	5.0
169.10094	17.5
170.10892	6.2
171.08270	1.0
171.11671	20.6
172.08714	0.8
172.12404	1.6
173.09645	3.0
173.13235	16.6
174.10410	1.3
175.11191	3.3
175.14795	5.8
177.09087	1.0
177.12697	1.7
178.07713	1.5
179.08549	11.5
180.09329	3.2
181.10094	11.8
181.12206	3.9
182.10870	6.4
183.11659	16.5
183.13197	1.2
184.12439	3.5
185.09518	1.4
185.13234	14.0
187.11186	2.1
187.14777	5.4
189.12639	5.4
190.13542	0.9
191.08496	1.4
191.14287	4.6
192.09367	3.1
192.11229	0.7
193.10098	9.8
194.10875	9.8
195.11670	15.6
195.13651	1.5
196.12376	4.2
197.13219	15.5
198.13821	1.3
199.11166	2.5
199.14787	10.3
201.12695	1.4
201.16289	2.0
203.08606	1.4
203.14285	12.6
204.09471	1.1
205.10091	2.1
206.10901	5.3
207.11687	13.4
207.13765	5.5
208.12411	5.4
209.13245	19.5
209.15118	1.2
210.13989	2.3
211.11325	0.9
211.14806	9.4
212.15492	1.2
213.12720	2.0
213.16383	3.6
215.14307	2.3
216.09335	1.3
217.10112	1.6
217.15829	5.5
218.10832	1.8
219.11644	5.2
220.12387	4.1
221.13222	12.1
221.15372	53.0
222.13928	3.0
222.15771	2.1
223.14780	10.2
224.15555	2.1
225.12726	1.4
225.16385	4.6
227.14368	2.0
227.18022	1.1
230.10896	1.9
231.11659	3.2
231.13737	1.1
231.17415	2.4
232.12520	3.1
233.13232	6.9
233.15384	2.5
234.13982	3.9
235.14758	9.5
235.16858	1.6
236.15533	1.7
237.12677	1.3
237.16360	5.1
239.14293	1.1
239.17987	3.2
241.15907	1.6
243.11505	1.7
244.12390	1.7
245.13170	4.7
246.13985	3.3
247.14807	6.1
247.16971	2.0
248.15569	2.8
249.16316	6.8
250.17038	1.5
251.17941	4.3
253.19556	2.0
255.17482	1.3
257.13248	2.8
257.19009	4.8
258.14029	1.6
259.14697	4.4
260.15628	2.4
261.16254	6.4
262.17285	1.8
263.17993	3.4
265.15863	0.9
265.19489	5.6
267.17337	1.3
268.18246	0.9
269.19055	1.4
271.14639	1.9
271.20651	1.5
272.15552	1.3
273.16315	3.1
274.17126	1.2
275.17834	6.1
277.19504	3.7
279.17648	1.0
279.21039	1.9
281.19116	1.8
283.14847	1.1
283.20572	9.4
284.15704	1.0
285.16263	1.5
287.17566	1.9
287.20380	1.7
288.18683	1.0
289.19534	3.5
291.21097	2.1
293.18866	1.6
295.20557	2.7
297.22061	4.3
299.20404	0.9
300.21039	1.4
301.19299	1.9
303.20856	1.3
305.22632	0.9
307.20474	1.2
309.22168	1.3
315.21054	1.6
316.21902	1.1
317.22461	1.8
321.22205	1.3
329.22559	1.0
331.24167	3.1
333.22092	1.1
343.20486	1.1
347.23730	1.2
348.24301	1.3
349.25262	6.7
352.23907	1.8
357.25711	2.8
361.25137	1.5
365.24911	2.3
375.26791	5.4
385.28873	1.2
403.29849	5.7
473.33578	1.0
485.34167	1.0
491.34756	3.7
503.34821	4.5
509.34433	2.0
519.46558	0.9
547.39478	2.7
565.40314	23.7
566.40607	1.2
583.41339	100.0
584.41687	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	583.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.9
57.07048	5.4
59.04984	2.2
67.05490	13.5
69.03411	2.6
69.07053	11.8
71.62666	4.0
79.05479	9.9
81.03429	2.7
81.07035	16.6
83.04932	2.9
83.08593	5.5
85.06483	3.6
91.05460	18.2
93.07029	25.7
95.04948	9.7
95.08588	27.2
97.06520	4.8
97.10209	3.8
102.36843	2.2
105.07019	31.5
107.08563	24.5
109.06532	5.2
109.10146	10.5
115.05466	2.4
117.07007	8.5
119.04856	2.6
119.08562	30.5
121.06475	4.0
121.10131	20.9
123.08050	11.8
123.11641	2.2
128.06181	3.3
129.06993	8.2
131.08545	18.8
133.06499	2.9
133.10146	21.6
135.08011	6.9
135.11708	6.2
137.09633	8.6
142.07791	5.8
143.08511	13.7
144.09224	2.3
145.10110	26.4
147.08046	11.1
147.11687	9.1
149.09605	5.1
151.07489	14.5
155.01030	3.5
155.08549	6.6
156.09349	6.2
157.10097	23.6
159.11655	14.6
161.09633	4.6
161.13280	5.3
163.11287	2.7
165.09109	20.4
167.08536	3.7
167.10706	4.6
169.10117	13.3
170.10701	3.5
171.11635	11.9
173.13182	11.4
175.14876	5.4
180.09265	4.6
181.10149	7.8
183.11671	8.5
185.13255	11.1
187.14818	7.7
189.12625	3.1
191.14293	2.8
192.09175	2.3
193.10110	4.8
195.11705	9.0
196.12495	2.2
197.13184	11.7
199.14813	7.0
203.14297	15.4
206.10760	2.5
207.11662	6.2
207.13754	4.1
209.13194	11.3
211.14839	8.0
213.12823	2.9
221.13316	4.7
221.15309	43.4
221.17323	4.0
223.14819	5.1
225.16251	4.2
231.11612	2.2
233.13176	5.4
234.13838	3.0
235.14775	5.6
237.16368	3.3
239.17816	2.8
245.13066	2.6
247.14780	3.1
249.16388	2.9
261.16473	2.8
265.19501	4.3
275.17993	2.9
281.18951	2.8
283.20663	3.7
295.20480	2.7
297.21909	2.6
375.26678	2.6
403.30069	7.4
503.35251	5.3
565.40131	24.8
566.40881	2.8
583.41339	100.0
584.41736	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	583.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99032	1.5
53.03928	4.6
55.05499	16.3
57.07066	13.7
59.04979	4.8
63.00412	1.8
65.03938	1.8
67.05489	27.7
69.03396	6.1
69.07055	21.9
69.34571	1.7
69.34911	20.2
79.05486	25.6
81.07039	34.7
83.04959	9.2
83.08618	11.2
85.06513	6.0
87.60976	1.8
91.05463	43.3
93.06461	3.7
93.07027	58.9
94.07349	2.6
95.04962	13.8
95.08591	35.9
97.06514	7.0
97.10114	2.2
103.05424	4.9
105.07010	71.6
107.04922	2.1
107.08569	49.5
109.06522	11.3
109.10128	25.0
111.08080	3.1
113.09629	2.7
115.05439	6.0
115.89715	1.8
117.07002	17.5
119.08561	85.4
120.08813	1.6
121.06481	4.0
121.10121	62.4
123.08070	13.5
123.11686	7.6
125.09617	5.8
128.06180	9.7
129.06973	15.4
130.07753	7.8
131.08546	37.5
133.06436	1.9
133.10109	37.3
135.08020	7.7
135.11650	13.7
137.05901	2.3
137.09592	7.6
139.11160	5.1
141.06955	8.2
142.07761	21.5
143.08536	39.0
144.09265	5.2
145.10100	56.9
147.07997	9.6
147.11679	17.1
149.09612	9.4
149.13280	3.7
151.07545	8.3
153.06999	5.4
154.07671	3.4
155.08540	17.9
155.10608	4.5
156.09326	14.9
157.10107	53.0
158.10904	9.1
159.08057	5.6
159.11674	29.7
161.09595	5.5
161.13246	7.1
163.11154	7.5
165.06953	7.4
165.09091	12.8
166.07669	2.1
167.08537	9.4
167.10648	42.9
168.09317	7.6
169.10101	31.7
170.10840	10.8
171.11661	32.8
172.12181	2.4
173.09572	3.6
173.13220	29.8
175.11165	5.1
175.14833	12.0
178.07806	1.8
179.08536	13.0
180.09331	6.6
181.10118	18.1
181.12216	6.2
182.10857	8.5
182.86893	1.8
183.11655	25.9
184.12427	7.6
185.13229	15.6
187.11151	3.3
187.14772	9.3
189.12653	6.1
189.16475	2.3
191.14326	7.4
192.09293	5.5
193.10112	14.1
193.11716	2.4
194.10858	11.8
195.07950	2.0
195.11638	22.6
196.12447	9.2
197.13196	24.4
199.14803	24.2
201.16364	7.0
203.14313	5.9
205.10069	4.8
205.15733	2.4
206.10878	7.6
207.11674	17.2
207.13597	3.4
208.12486	6.5
209.13222	27.3
210.13889	3.1
211.11168	3.0
211.14828	12.9
213.12743	2.4
213.16313	5.4
215.14326	5.1
216.09459	2.8
217.10146	4.7
217.15840	15.3
218.10878	3.0
219.11746	4.5
219.63751	1.7
220.12346	4.1
221.13199	17.1
221.15372	26.3
222.13921	3.9
223.14816	11.4
224.15483	2.1
225.16382	7.1
227.14403	2.6
231.11624	7.6
232.12369	5.0
233.13199	8.3
233.15358	12.9
234.13948	4.4
235.14751	13.3
236.15570	2.6
237.16389	8.0
239.17918	5.2
241.15775	2.4
245.13246	6.0
246.14059	5.3
247.14781	7.6
247.17052	2.5
248.15552	5.0
249.16347	7.8
251.17921	5.5
255.17445	2.9
257.18982	8.1
258.14093	2.2
259.14819	3.6
260.15527	2.9
261.16302	9.5
262.17145	3.6
263.18011	6.5
265.19467	7.6
269.19101	5.2
271.14822	2.4
273.16370	5.1
275.17969	7.1
277.19376	3.2
283.20441	12.1
287.20276	2.8
289.19440	5.2
293.18909	2.7
295.20654	2.0
297.22046	2.4
309.22186	3.6
315.21039	2.3
317.22702	2.5
331.24200	3.5
335.23553	3.3
343.24411	2.5
347.23721	2.8
349.25143	7.0
361.25198	2.3
365.24521	2.7
375.26962	4.1
403.29929	2.1
491.35049	6.5
503.62085	2.0
523.52777	1.8
529.37982	2.1
547.39026	2.5
565.40295	13.0
583.41302	100.0
584.41608	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.6
55.01857	1.3
55.05499	6.9
57.07056	5.4
59.04971	1.5
65.03931	1.8
67.05489	13.9
68.95216	1.2
69.03407	4.0
69.07058	9.8
69.37012	1.1
79.05483	13.0
81.03355	1.3
81.07040	20.1
83.04969	4.6
83.08603	5.9
85.06529	4.2
91.05465	20.8
93.07032	29.6
94.07314	1.3
95.04953	7.1
95.08591	21.6
95.53377	1.1
97.06512	2.9
97.10159	1.2
98.20673	2.5
103.05486	2.0
105.07014	39.5
107.08572	22.5
109.06496	4.9
109.10144	9.9
111.08071	3.1
115.05442	3.3
116.06225	1.9
117.06998	10.1
119.08556	42.2
121.06514	2.8
121.10117	28.9
123.08053	11.2
123.11673	4.6
125.06002	1.7
128.06210	7.3
128.70731	1.2
129.06973	7.6
130.07761	2.7
131.08545	14.5
132.09380	1.3
133.10110	26.4
135.08020	6.5
135.11671	7.3
137.09596	8.9
141.06970	3.9
141.09058	1.2
142.07758	12.3
143.08524	18.2
144.09340	3.8
145.10094	25.2
147.08003	11.1
147.11688	7.8
149.09579	3.7
149.13203	1.7
151.07518	11.9
153.06963	3.2
154.07755	1.6
155.08531	8.6
155.10602	1.5
156.09322	11.3
157.10103	36.0
158.10825	4.6
159.08022	2.0
159.11674	14.3
161.09593	3.5
161.13213	5.1
163.11139	4.6
165.07014	3.1
165.09085	22.2
166.07817	1.6
167.08530	5.5
167.10635	8.9
168.09309	4.6
169.10107	15.3
170.10849	3.4
171.11678	17.1
171.35248	1.2
173.09589	1.5
173.13277	10.5
175.11150	3.1
175.14818	4.9
178.07623	1.4
179.08566	6.2
180.09303	5.0
181.10110	10.0
181.12172	3.5
182.10890	4.9
183.11678	14.2
184.12465	2.4
185.09747	1.7
185.13246	11.8
187.14857	3.2
189.12776	4.4
191.08510	1.4
191.14291	5.5
192.09314	3.4
193.10110	7.7
193.15993	1.5
194.10855	7.7
195.11647	11.6
196.12398	4.7
197.13184	12.3
199.14822	8.7
203.14299	8.6
204.09306	2.1
205.10155	3.6
206.10924	3.5
207.11661	12.3
207.13821	4.4
208.12422	3.1
209.13249	16.5
211.11256	1.9
211.14711	7.7
213.12776	2.1
213.16347	2.1
215.14349	2.3
217.10062	1.3
217.15880	4.1
219.11681	5.0
220.12457	3.3
221.13202	9.7
221.15276	42.4
222.13799	1.7
222.15704	2.1
223.14806	8.8
223.38936	1.3
224.15477	1.9
225.12785	2.1
225.16350	3.1
229.10037	1.3
231.11684	4.3
231.17480	1.7
232.12413	2.6
233.13182	4.8
233.15366	2.8
234.13924	2.8
235.14815	5.7
237.16451	4.6
239.17879	2.5
243.11511	1.5
244.12411	1.4
245.13275	4.3
246.13957	3.3
247.14793	5.8
248.15558	1.7
249.16368	5.7
251.18044	3.5
257.18930	4.6
259.14755	3.1
260.15622	2.6
261.16367	4.5
263.17963	4.6
265.19431	3.0
269.19052	1.6
273.16321	3.4
274.17194	2.2
275.17770	6.2
277.19437	3.7
279.21033	2.1
281.19016	1.3
281.37326	1.4
283.20493	8.2
287.20227	2.5
289.19449	2.4
291.21106	2.1
293.19061	1.8
295.20587	3.3
297.22195	2.9
307.20627	2.0
315.20810	2.2
331.24136	2.9
335.23502	2.6
349.25290	3.6
357.25726	2.5
375.26761	5.0
403.30154	4.9
491.35379	2.2
503.34839	3.5
509.33975	1.7
547.39240	3.3
565.40411	20.8
566.40527	2.7
567.34760	1.7
583.41339	100.0
584.41840	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03918	6.2
55.05501	18.2
57.07064	14.6
59.04982	5.3
59.78327	1.0
65.03928	4.1
67.05489	30.9
69.03410	10.3
69.06705	2.1
69.07048	24.2
76.29963	1.3
76.53162	1.2
76.63893	1.2
77.03898	2.0
79.05474	29.9
80.05807	1.4
81.07037	43.9
83.04964	10.4
83.08599	10.8
85.06535	7.9
91.05460	59.7
92.05774	1.3
93.07023	68.7
94.07316	1.3
95.04939	15.5
95.08582	43.8
97.06512	7.9
97.10169	2.1
98.20695	2.9
103.05460	5.1
105.07008	88.1
107.04920	1.4
107.08569	49.3
109.06482	11.8
109.10134	27.4
111.08064	3.4
111.11671	2.7
115.05455	6.2
116.06251	2.7
117.06998	20.0
119.08556	100.0
120.08867	2.8
121.06467	6.0
121.10117	61.4
122.10433	1.5
123.08030	16.7
123.11665	7.6
125.05956	6.2
125.09605	3.7
128.06183	17.9
129.06036	1.3
129.06973	22.8
130.07785	9.5
131.07562	2.7
131.08540	51.2
133.06445	3.4
133.10100	53.0
135.08035	11.4
135.11653	19.3
137.09587	15.0
139.11159	2.4
141.06949	11.6
142.07755	32.3
143.08530	52.1
144.09338	8.5
145.06442	2.8
145.10091	65.2
146.10587	2.1
147.08009	17.7
147.11644	16.0
149.09566	9.2
149.13274	3.6
151.07516	12.8
151.11172	2.1
152.06181	2.3
153.06960	7.4
153.09087	1.8
154.07751	4.9
155.08525	21.2
156.09317	25.0
157.10098	72.1
158.10875	10.2
159.08000	6.5
159.11647	29.7
160.12239	2.5
161.09596	7.7
161.13171	8.9
163.11130	8.3
165.06999	10.6
165.09076	35.6
166.07782	5.7
167.08543	17.2
167.10608	14.7
168.09320	10.8
169.10089	37.5
170.10883	13.8
171.11647	40.1
172.12318	4.8
173.09618	4.9
173.13226	26.7
175.11182	5.3
175.14790	9.2
177.12750	1.7
178.07748	2.4
179.08508	20.8
180.09251	7.7
181.10089	21.4
181.12102	8.4
182.10890	9.8
183.11659	34.1
184.12407	8.6
185.09662	3.2
185.13208	21.6
186.14084	1.5
187.11102	3.3
187.14763	8.2
189.12694	6.6
189.16353	1.6
191.08618	2.2
191.14220	10.3
192.09277	6.1
193.10091	22.7
194.10869	14.5
195.11650	28.6
195.13420	2.4
196.12407	10.4
197.09514	1.8
197.13232	24.3
198.13866	3.8
199.11241	3.2
199.14790	19.9
201.12759	3.5
201.16333	3.4
203.08554	2.6
203.14273	14.6
204.09288	2.8
204.14703	2.1
205.10092	7.1
205.15971	1.6
206.10876	7.3
207.11674	26.2
207.13770	8.6
208.12424	11.2
209.13220	33.4
209.15210	2.7
210.14023	5.1
211.11295	2.2
211.14763	14.4
212.15489	1.7
213.12810	2.9
213.16394	5.5
215.14287	3.7
217.10130	5.8
217.15833	13.0
218.10846	3.5
219.11633	11.2
220.12402	7.8
221.13203	21.8
221.15363	55.8
222.13959	4.6
223.14749	18.0
224.15437	2.5
225.12766	1.5
225.16354	8.1
226.16983	1.4
227.14272	5.6
229.10130	3.0
229.15784	2.2
231.11743	8.6
231.17400	2.1
232.12387	6.6
233.13228	15.8
233.15392	6.4
234.13887	6.3
235.14781	16.8
235.16966	2.6
236.15498	3.5
237.12773	1.9
237.16296	9.0
239.14345	2.1
239.17966	4.9
241.15852	1.7
243.11592	5.8
243.17393	2.1
244.12494	3.5
245.13242	10.4
246.14009	6.8
247.14772	13.1
247.16895	2.3
248.15590	3.8
249.16342	12.0
250.17157	3.4
251.14351	1.8
251.17885	6.5
253.15855	2.7
255.11603	1.3
255.17403	2.7
256.12357	1.2
257.13257	3.5
257.18915	11.0
258.13962	2.9
259.14728	8.1
260.15585	4.8
261.16336	11.8
262.16968	3.5
263.17752	8.4
265.15747	1.7
265.19522	8.1
267.17462	1.9
269.19034	4.7
270.14108	1.9
271.14639	2.1
271.20502	1.7
272.15488	2.7
273.16180	6.7
274.16693	2.4
275.17798	14.5
276.18643	2.1
277.15994	1.8
277.19525	5.1
279.17432	2.4
279.20947	2.4
281.18970	1.9
283.14981	1.7
283.20486	22.3
283.23453	1.8
284.15845	1.4
285.16281	3.4
287.17401	2.3
287.20135	3.7
288.18805	1.9
289.19446	5.0
291.17612	1.7
291.20862	2.2
293.18878	2.9
295.20505	4.4
297.16272	2.7
297.22018	3.2
299.20169	2.4
300.20743	3.6
301.19238	1.6
303.21017	2.5
307.20523	2.9
309.22040	1.6
312.20859	1.7
315.21161	2.2
317.22583	3.7
329.22601	2.2
331.24216	5.1
333.22205	1.9
335.23700	2.6
339.21121	1.4
341.22415	2.1
343.24271	2.3
347.23499	2.3
349.25177	9.0
351.22879	1.5
352.23874	2.1
357.25336	1.3
359.23563	1.7
361.25168	3.0
365.23929	1.6
371.23709	1.4
375.26797	7.4
403.30121	2.7
437.30304	1.4
465.89841	1.3
473.33951	3.1
488.31696	1.6
491.35153	7.4
503.35175	2.8
526.43817	1.3
547.39056	2.8
565.40283	18.0
583.41315	97.4
584.41754	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	583.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.2
53.03933	5.2
55.01870	4.5
55.05502	23.3
57.03429	9.9
59.04974	3.6
61.30865	0.9
65.03922	3.8
67.05493	79.9
69.03419	14.6
69.07050	6.8
69.19852	0.9
70.23711	1.4
70.24106	2.6
71.01347	2.4
71.04981	5.8
73.02907	1.5
77.13686	1.1
79.05047	1.5
79.05482	19.4
81.03404	80.0
81.06563	1.9
81.07042	29.9
83.04962	15.9
83.08602	17.9
85.02891	19.0
85.06522	4.2
88.67152	0.9
91.05461	23.3
91.05999	1.8
93.07021	16.3
95.04956	21.3
95.08590	13.0
97.02872	13.2
97.06523	4.3
97.10149	13.2
99.04442	4.8
103.03946	1.9
103.05476	1.0
105.07020	14.9
107.04936	10.2
107.08578	12.6
109.02859	13.0
109.06503	4.3
109.10137	61.4
111.04414	11.0
111.08060	9.1
113.05993	2.6
115.05438	1.5
117.07030	4.4
119.04929	1.4
119.08562	16.2
119.09335	1.3
121.02819	0.9
121.06503	3.0
121.10119	6.3
123.04419	3.0
123.08035	1.8
123.11646	1.0
125.09596	9.9
127.03902	11.8
129.05460	2.4
129.06972	7.4
131.04939	1.7
131.08549	6.3
133.06468	3.8
133.10130	6.7
135.08087	2.4
135.11665	2.5
137.05989	1.3
137.09608	4.8
139.03796	0.9
141.06990	1.2
142.07782	1.9
143.08534	2.6
145.06454	2.2
145.10089	3.3
147.04390	1.5
147.08035	3.0
147.11662	9.6
149.05972	1.4
149.09618	4.1
149.13026	0.8
151.07478	1.0
151.11172	0.9
153.12813	1.3
155.08511	1.5
155.10663	3.2
157.06493	1.6
157.10088	8.0
159.11685	1.1
161.05988	2.0
163.11151	3.4
165.05426	1.2
165.12723	3.1
167.08386	0.9
171.04417	1.4
171.11638	1.8
173.04492	1.3
173.06018	1.2
173.11716	20.7
173.13159	2.0
175.07651	0.9
175.11151	6.4
177.12672	0.9
179.10603	0.9
181.12181	2.1
189.11201	4.7
189.12762	2.7
191.10568	2.1
193.12195	22.0
199.11139	2.1
209.11600	1.3
211.13255	32.9
211.65211	1.0
213.12816	1.9
217.12257	2.2
221.11784	1.1
227.12721	7.4
229.14320	26.8
229.16528	1.8
231.13702	1.4
235.11063	1.1
235.13300	3.8
245.13736	1.5
249.14865	2.5
257.13940	2.3
259.13272	1.6
267.15829	11.1
273.14914	1.7
274.48407	0.9
277.14267	5.6
281.13867	1.9
283.15582	1.2
285.17032	5.0
291.15820	1.2
299.14825	6.8
301.14090	4.6
309.16959	4.7
319.15381	2.3
329.21136	1.7
331.17468	3.9
337.16501	4.0
347.18164	1.0
351.18063	4.3
355.17383	8.8
373.18692	4.2
375.17996	3.2
393.19083	2.4
403.24976	1.5
411.19882	2.2
421.25958	11.0
439.26859	27.2
455.26477	1.4
463.26584	4.3
487.26514	2.0
505.27960	16.7
517.27911	1.8
529.27991	5.1
535.28992	3.2
547.28986	8.6
565.29926	18.1
583.31024	100.0
584.31396	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	583.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
53.52068	0.8
55.05497	10.3
57.07067	5.5
59.04982	1.5
60.43975	0.8
65.03913	2.4
67.05156	1.5
67.05491	16.6
69.03409	3.7
69.07056	12.1
69.34374	7.7
69.34782	1.6
71.04963	1.9
79.05049	1.3
79.05479	14.2
81.07041	20.3
83.04982	5.8
83.08591	7.3
85.06519	3.6
87.04443	0.8
91.04899	1.2
91.05463	25.9
93.07026	36.5
95.04957	9.1
95.08591	22.8
97.06543	4.5
97.67836	0.8
98.20821	1.9
103.05461	2.6
105.07014	44.5
107.04932	1.2
107.07851	1.6
107.08572	32.5
109.06497	6.4
109.10141	16.7
111.08070	1.5
115.05439	3.1
116.06194	1.3
117.06995	10.4
119.06080	0.9
119.08559	45.7
121.06482	3.3
121.10124	38.6
123.08031	11.1
123.10898	0.8
123.11684	5.0
125.05975	1.3
125.09639	2.2
128.06184	6.9
129.06981	8.8
130.07770	6.2
131.08548	25.1
133.06496	1.7
133.10107	29.4
135.08022	5.2
135.11664	10.6
137.09579	5.8
139.11162	2.7
141.06931	5.1
142.07753	13.3
143.08534	24.1
144.09337	5.7
145.06459	1.0
145.10089	34.7
146.10461	1.1
147.08031	6.7
147.11674	12.0
149.09593	7.4
149.13313	2.0
151.07524	9.3
151.11157	1.7
152.06316	0.9
153.06993	2.4
154.07762	2.4
155.08540	12.4
155.10522	1.6
156.09306	9.7
157.10107	34.2
158.10924	4.3
159.08041	3.8
159.11664	20.5
161.09607	3.7
161.13313	4.1
163.11176	6.3
164.58339	0.8
165.06982	3.8
165.09087	11.4
166.07803	1.8
167.08571	6.3
167.10651	24.1
168.09334	4.1
169.10094	16.6
170.10867	5.7
171.11644	18.8
172.12323	1.6
173.09598	2.8
173.13223	17.1
174.66185	1.0
175.11224	2.5
175.14790	6.1
177.09128	1.2
177.12585	1.1
179.08522	9.1
179.10019	1.2
179.10612	1.0
180.09364	4.3
181.10083	10.5
181.12247	4.7
182.10846	6.2
183.11658	17.0
184.12390	3.4
185.09596	2.0
185.13251	12.6
187.11185	2.0
187.14755	5.2
189.12721	5.1
191.08549	1.3
191.14244	5.0
192.09367	2.9
193.10120	8.3
194.10844	5.8
195.11658	15.8
196.12405	2.8
197.13219	16.3
198.13997	1.7
199.11389	1.2
199.14803	9.8
201.12730	1.7
201.16336	2.8
203.08461	1.9
203.14296	5.1
205.10164	2.8
205.15851	1.4
206.10840	5.4
207.11687	11.7
207.13754	4.6
208.12460	4.8
209.13223	18.3
209.15132	1.7
210.13939	3.0
211.11229	1.1
211.14784	9.2
213.12717	1.2
213.16336	3.1
215.14285	3.4
216.09331	1.2
217.10170	2.6
217.15804	6.5
218.10753	1.6
219.11674	5.3
219.17500	0.9
220.12483	4.1
221.13231	11.1
221.15382	22.9
222.13951	3.0
223.14766	11.3
224.15607	1.7
225.12721	1.4
225.16328	4.3
227.14383	1.5
229.10118	1.4
229.15926	1.2
230.10960	1.5
231.11694	3.5
231.13727	1.2
231.17491	1.4
232.12383	2.0
232.30484	1.2
233.13194	5.5
233.15396	7.6
234.13989	2.5
235.14792	8.6
235.16927	1.5
236.15622	2.2
237.12703	1.3
237.16331	7.1
239.14394	1.7
239.17969	3.2
243.11748	1.4
243.17499	1.2
244.12473	1.8
245.13170	5.5
246.13988	3.1
247.14697	6.5
247.16754	0.9
248.15529	2.4
249.16344	6.8
250.17133	1.7
251.17830	5.1
253.15819	1.5
253.19518	1.7
255.17311	1.7
257.13235	2.4
257.19055	5.4
258.13910	1.7
259.14862	3.1
260.15652	2.0
261.16220	5.7
262.17068	1.5
263.17963	4.2
265.19482	5.5
267.17337	1.2
269.18964	4.1
271.14670	2.6
271.20621	2.5
273.16077	4.2
274.17172	1.5
275.17892	6.7
277.19464	3.2
279.17139	1.0
279.21057	2.8
281.18961	3.0
283.14896	1.7
283.20471	10.9
287.17532	1.7
287.20325	1.8
288.18524	1.1
289.19577	3.1
291.21002	2.1
293.18973	1.3
295.20581	3.6
297.22144	3.1
299.17596	1.6
301.19125	1.4
303.21182	1.5
305.22641	1.0
307.20639	2.2
309.22171	2.1
315.21109	1.9
317.22757	1.3
319.20737	1.3
321.22363	1.6
327.21301	1.2
329.22662	2.3
331.24213	3.3
333.22244	1.5
335.23572	2.6
341.22552	1.4
343.24222	1.0
347.23730	2.1
349.25180	5.4
357.25696	1.7
361.25238	3.0
365.24933	1.2
375.26752	4.4
397.28470	1.0
403.29883	3.4
425.28708	1.3
427.30087	1.6
454.34741	1.0
473.34155	1.3
478.97385	1.0
491.35074	2.5
503.35211	1.9
509.33963	1.2
547.39063	4.5
565.40338	16.5
566.40826	1.0
583.41339	100.0
584.41675	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	583.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01853	3.4
55.05260	1.3
55.05506	21.2
57.03434	8.2
57.07054	1.0
59.04978	2.7
59.61602	0.9
60.17939	0.8
60.75909	0.8
65.03925	3.2
66.18898	1.0
67.05495	67.6
69.03417	16.6
69.07063	7.0
70.27884	3.3
71.04974	7.3
79.05482	16.9
81.03405	77.9
81.07043	27.2
83.04975	12.4
83.08607	15.8
85.02897	17.0
85.06531	4.0
91.05468	21.3
93.07030	16.5
95.04950	19.3
95.08591	11.9
97.02886	9.7
97.06536	5.0
97.10147	9.5
99.04438	4.3
103.03889	1.0
103.05387	1.1
105.07016	13.7
105.60820	1.0
107.04937	6.7
107.08575	11.0
109.02869	10.4
109.06493	4.3
109.10137	48.3
111.04418	12.9
111.08066	7.9
113.05953	1.9
117.07002	3.5
118.60680	1.0
119.08562	13.7
121.06509	3.5
121.10144	6.2
123.04412	2.6
123.08040	2.7
123.11676	1.3
125.09625	8.4
127.03900	9.3
129.05447	2.1
129.06950	6.6
131.04938	1.3
131.08565	8.4
133.06477	3.0
133.10118	6.2
135.08098	2.3
135.11676	2.0
137.05975	1.3
137.09598	4.0
142.07780	2.3
143.08540	2.7
143.10698	1.1
145.10103	3.1
147.04425	1.2
147.07982	2.5
147.11667	10.1
149.09595	2.6
155.08429	1.2
155.10602	2.8
157.10124	8.6
159.07985	1.3
159.11659	1.9
159.62341	0.9
161.09630	1.3
163.11162	1.9
165.12711	3.9
169.10117	2.1
171.11726	1.6
173.04520	1.2
173.11719	13.1
175.11174	6.0
178.00027	1.0
181.12244	1.6
185.13220	1.1
189.11209	3.8
189.12755	1.9
191.10722	1.3
193.12213	20.8
193.13857	1.7
211.13245	32.6
217.12198	1.2
219.30185	0.9
227.12737	5.0
229.14288	17.1
235.13274	1.0
257.13690	1.3
267.15878	7.7
277.14368	2.9
281.13800	1.6
283.13263	1.4
285.17047	3.4
299.14844	6.1
301.14371	2.8
309.16946	3.1
314.78012	1.0
315.72433	1.0
319.15396	1.9
331.17468	3.1
337.16647	1.3
351.18051	1.5
355.17474	9.1
373.18484	4.0
375.17957	1.4
403.24661	1.3
411.20203	3.2
421.25729	8.5
439.26816	15.4
463.27011	2.2
505.28015	4.8
509.27557	1.3
517.27405	1.9
529.27710	2.3
547.29071	4.3
565.29944	11.8
583.31110	100.0
584.31573	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25353	0.6
53.03931	4.9
53.72528	0.7
55.01858	4.0
55.05501	18.7
57.03426	7.2
57.07066	1.2
59.04969	3.2
65.03918	3.6
67.05491	80.0
68.05799	1.1
69.03069	1.2
69.03416	17.2
69.07053	6.6
71.01349	1.8
71.04979	8.1
71.62334	0.9
71.62760	1.0
79.05476	16.6
81.03402	73.1
81.07037	28.4
82.03713	0.9
83.04962	13.6
83.08601	17.3
85.02885	15.3
85.06513	3.3
86.09685	1.6
86.64139	0.7
87.04444	1.2
87.64031	0.7
90.58567	0.6
91.05460	23.7
93.06461	1.0
93.07030	15.9
95.04950	19.7
95.08588	10.7
95.23074	0.7
96.05260	0.8
97.02867	11.0
97.06515	5.4
97.10148	7.1
99.04436	5.7
99.08069	1.6
103.03880	0.7
103.05459	2.1
104.10717	1.0
105.07007	13.6
107.04943	5.0
107.08568	9.9
109.02860	14.5
109.06496	3.9
109.10134	54.7
110.10456	0.8
111.04420	13.9
111.08073	6.6
113.05967	1.1
115.05407	1.2
117.06984	3.7
119.04897	2.2
119.08559	17.1
121.02818	1.1
121.06482	2.4
121.10121	9.2
123.04420	2.7
123.08050	2.1
123.11699	2.5
124.99948	1.2
125.06049	0.9
125.09605	6.4
127.03907	10.7
127.11197	0.9
127.24951	0.7
128.06229	1.1
129.05466	1.2
129.06956	6.1
131.04926	3.2
131.08543	6.5
133.06477	2.0
133.10127	6.1
135.04416	0.9
135.08017	2.2
135.11629	3.4
137.05968	1.8
137.09584	4.4
139.03920	1.6
142.07770	1.4
143.08525	2.2
145.06453	1.3
145.10081	4.0
147.04401	3.7
147.08017	2.6
147.11653	9.7
149.05954	2.5
149.09596	5.4
151.11192	1.0
153.01729	0.9
153.12709	1.4
155.08536	1.0
155.10655	2.9
157.06488	0.9
157.10107	7.1
159.07994	1.3
159.11664	2.2
161.09601	1.7
163.11151	4.3
165.09105	1.2
165.12755	2.3
167.07056	1.6
169.10091	0.8
171.03015	0.7
171.08101	1.0
171.10179	0.7
171.11653	1.2
173.05934	1.4
173.09499	1.6
173.11716	13.5
173.13126	1.4
175.11185	8.6
177.05429	1.1
181.12213	2.8
183.06606	0.9
183.11768	0.7
184.07259	6.1
185.07664	1.3
189.05525	0.9
189.09303	0.7
189.11198	2.7
189.12767	1.4
191.10663	2.2
193.12212	21.5
203.10735	1.0
205.12238	1.2
209.11615	0.9
211.13248	37.8
212.13686	1.1
213.14766	0.8
217.12291	1.0
221.11726	0.8
227.12640	6.2
229.14294	17.7
235.13214	1.3
249.14842	1.2
259.13245	1.0
263.12720	1.0
265.14444	0.9
267.15866	7.3
273.14877	1.8
277.14395	1.3
283.15411	1.4
285.16962	3.6
299.14792	4.2
301.14355	3.1
307.15341	0.9
319.15396	2.1
337.16373	3.1
351.17746	1.1
355.17447	9.7
373.18619	1.9
393.19424	0.8
403.24628	1.5
411.20197	5.6
417.69794	0.9
421.25354	5.3
437.90073	0.8
439.26801	16.7
455.26108	1.1
463.26730	1.2
505.28009	3.5
517.27771	1.0
529.28412	1.4
547.28986	2.4
565.29779	8.5
583.31012	100.0
584.31091	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	583.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39763	0.9
52.19838	1.0
53.03938	6.2
55.01856	4.9
55.05262	1.3
55.05506	19.2
57.03432	8.2
57.07062	1.3
59.04995	3.0
62.19647	0.9
65.03918	4.2
67.05495	75.3
68.99772	1.5
69.03421	16.2
69.07069	5.5
70.32319	3.5
71.01313	1.3
71.04996	7.3
73.02884	1.6
75.04451	1.6
79.05482	23.4
81.03407	76.3
81.07040	26.3
83.04967	13.8
83.08602	16.1
85.02894	17.6
85.06531	3.0
91.05463	23.7
93.03368	1.0
93.07027	25.7
95.04960	20.6
95.08592	12.3
97.02880	14.1
97.06524	4.6
97.10153	9.0
99.04437	5.0
105.03323	1.1
105.07014	14.7
107.04940	9.0
107.08575	11.7
109.02869	14.8
109.06499	4.3
109.10139	56.7
111.04417	13.2
111.08064	8.1
115.05416	1.6
117.06998	3.4
119.04930	5.1
119.08568	19.6
121.02825	1.1
121.06505	6.3
121.10120	20.6
123.04455	2.9
123.08041	1.8
125.09621	6.6
127.03905	8.7
129.05501	2.4
129.06970	6.3
131.04919	2.6
131.08525	8.2
133.06485	1.8
133.10165	5.3
135.08049	4.8
135.11691	3.0
137.02325	1.8
137.05949	2.1
137.09624	4.2
139.03864	1.5
141.01846	1.9
143.08517	1.6
145.06459	2.0
145.10136	3.9
147.04372	13.9
147.08006	3.5
147.11613	7.9
149.09599	8.3
151.03876	1.2
153.01810	12.5
153.12743	1.1
155.10667	4.3
157.10104	6.2
159.08046	1.8
159.11702	1.4
161.05998	1.4
161.09686	1.9
163.11208	3.7
165.01807	43.9
165.12732	2.6
167.06940	1.5
167.10597	1.9
171.02905	6.9
171.04170	1.2
173.04482	1.9
173.05978	1.2
173.11732	15.0
175.07590	1.2
175.11145	6.4
177.05437	1.3
177.12758	1.6
179.03426	1.9
181.12263	3.2
183.02858	45.8
184.07310	2.7
187.11169	1.5
189.01892	1.8
189.11215	5.5
189.12737	1.3
191.03418	3.2
191.10666	1.4
193.12215	18.5
195.02873	4.0
199.11107	1.2
203.03333	1.4
203.06982	1.2
205.04939	2.4
207.02895	3.0
209.11633	1.4
211.13254	39.6
217.12234	1.2
225.03983	1.8
227.12781	6.5
229.14293	16.3
231.02937	1.3
235.13179	1.7
249.03955	1.3
249.14839	1.9
258.28732	1.1
259.13177	1.5
267.15884	7.7
273.04459	2.1
273.07492	13.5
277.14398	1.6
281.13910	1.6
283.15381	1.7
285.07535	38.8
285.10571	2.1
285.17081	3.0
286.07919	2.0
297.07632	1.8
299.14963	5.3
301.10767	1.3
301.14392	2.9
309.07465	5.8
309.17041	1.3
319.15302	1.5
325.10718	2.2
327.08496	1.9
337.16602	3.8
351.08517	2.4
355.17456	10.2
373.18512	1.8
375.18057	1.7
393.19327	1.1
403.24701	1.5
411.20132	5.9
421.16522	5.6
421.25742	9.8
427.14169	1.8
439.26767	17.4
445.15433	1.6
445.26044	1.2
455.25845	1.7
505.28024	4.8
529.27966	2.6
547.29169	3.8
565.30115	11.4
583.31073	100.0
584.31323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	5.4
55.05499	34.9
57.03430	19.9
57.07052	8.1
65.29679	4.0
67.05494	67.6
69.07051	30.9
69.57549	24.8
71.08576	5.5
73.15411	4.2
78.23378	3.7
79.05478	39.5
81.03397	64.6
81.07035	83.6
83.04958	16.1
83.08593	32.9
84.02343	3.6
85.02879	22.2
91.05460	46.0
93.07029	39.3
95.04941	29.1
95.08584	48.1
97.06499	6.9
97.10125	6.6
98.21525	7.4
105.03657	5.7
105.07003	47.2
107.04934	8.0
107.08566	18.0
109.06477	10.9
109.10123	24.1
111.08021	10.5
117.06986	6.1
119.08556	37.2
121.10114	21.8
123.08036	10.7
123.11650	9.6
128.06201	4.6
129.06975	9.8
131.08574	21.5
133.10077	25.5
135.11679	10.0
142.07642	4.3
143.08525	4.5
145.10069	7.9
147.11653	20.3
149.09608	6.2
157.10049	19.6
159.11682	6.0
161.13141	5.5
171.11627	7.9
175.11142	10.9
183.11742	5.2
187.14760	6.9
193.12172	50.1
199.14706	4.6
211.13235	86.1
253.94887	4.6
263.23669	4.8
267.15875	13.9
285.16885	83.5
337.27267	90.7
467.25327	3.8
529.38275	9.3
547.39752	100.0
548.39471	4.6
582.40320	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	582.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
53.10357	2.0
54.42115	1.7
55.01859	3.3
55.05501	17.4
57.03403	3.3
59.04991	3.4
60.08162	3.8
61.02905	2.4
67.05499	33.9
69.03414	8.0
69.07061	13.0
71.04974	7.7
71.07312	2.4
71.62750	2.5
73.02879	1.9
73.06540	5.9
74.09672	1.9
79.05479	21.5
81.03410	18.3
81.07042	45.5
83.04951	9.4
83.08588	9.1
85.02893	6.2
85.06524	3.5
86.09694	22.2
91.05463	26.3
93.07030	37.3
95.04960	10.8
95.08591	44.1
96.25357	2.2
97.02880	4.5
97.06504	6.3
97.10150	5.8
99.04436	2.8
99.08045	7.2
103.05441	2.9
104.10722	13.0
105.07018	56.0
106.07352	1.9
107.08575	45.7
109.02863	4.9
109.06497	5.8
109.10142	39.2
111.04440	4.2
111.08060	7.1
117.07023	11.4
119.04896	2.6
119.07771	3.7
119.08568	43.9
119.09425	2.4
120.08021	2.8
120.08893	2.9
121.06478	5.6
121.10131	41.4
122.10461	2.6
123.04423	5.6
123.08012	4.9
123.11689	15.1
124.99990	13.8
125.09632	8.6
127.03841	2.3
127.11139	2.5
128.06187	4.6
129.07002	14.7
131.04922	3.1
131.08548	36.1
133.10112	35.1
135.08052	3.1
135.11659	23.5
136.07481	2.7
137.05981	3.5
137.09549	4.1
137.13235	7.0
138.09108	2.1
139.03870	8.4
139.11113	2.1
141.07022	4.9
142.07764	6.6
143.08546	28.1
143.10689	1.9
145.06381	3.3
145.08951	1.5
145.10101	45.9
145.42139	2.1
147.04395	9.2
147.08066	3.4
147.10544	2.0
147.11662	43.9
149.09590	6.3
149.13225	14.4
151.07559	2.8
151.11087	3.3
153.12717	6.2
155.08536	16.3
156.09250	3.5
157.10097	40.5
159.11682	36.1
160.11938	2.0
161.09605	6.0
161.13229	27.8
163.11140	6.4
163.14813	12.5
165.06847	2.5
165.09154	2.2
165.12746	5.5
166.08629	4.6
167.06985	2.4
169.10097	16.1
171.11662	25.5
173.05998	2.9
173.09558	4.7
173.11774	4.2
173.13190	23.0
175.11096	6.4
175.14900	10.2
177.12718	6.1
177.16389	2.9
179.14279	2.5
181.10091	5.0
181.12222	3.7
183.11708	11.6
184.07317	72.7
185.09529	3.3
185.13234	20.7
185.18027	2.0
186.92711	2.0
187.11209	5.0
187.14799	17.3
189.12691	5.6
189.16414	12.1
191.10631	3.7
191.14345	4.1
193.10086	2.1
193.12245	3.0
195.11644	5.0
197.13297	13.3
199.14722	13.2
201.09070	4.1
201.12785	4.3
201.16354	7.9
202.16870	2.4
203.10535	3.2
203.14307	3.5
203.17825	3.6
205.12212	5.8
205.15779	3.5
209.13196	6.1
211.13087	4.4
211.14864	7.3
213.12692	4.9
213.16367	7.5
215.10667	2.9
215.14302	4.5
215.17802	2.0
217.12248	8.0
217.15819	3.8
221.13295	2.5
223.14853	6.8
225.16396	8.2
227.14377	3.2
227.17879	3.6
229.12311	4.6
231.13760	8.2
233.15314	3.8
237.16406	4.7
239.17941	3.3
243.13757	7.8
245.15361	4.7
257.15292	3.6
269.15106	2.6
274.17807	2.7
275.16318	3.1
279.20972	4.8
325.25333	2.7
333.25528	11.0
335.27097	4.8
341.21341	2.9
351.26773	45.3
353.24582	7.7
353.28381	3.4
361.25348	5.8
369.27838	42.3
371.16156	3.5
371.25531	9.4
379.26273	62.8
380.26706	3.0
387.56976	2.2
397.27322	100.0
405.31387	5.8
412.20804	8.2
415.28351	32.3
423.32581	9.3
433.30960	4.1
441.33728	5.1
451.32132	11.5
469.33438	10.8
487.33853	5.2
518.18988	3.3
550.21759	19.7
562.28113	2.2
582.29419	11.9
582.39270	3.6
583.31403	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	582.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.60581	1.4
55.01858	4.0
55.05502	13.5
59.04984	1.8
67.05504	15.9
69.03406	3.4
69.07059	9.5
71.04977	3.8
73.06535	4.8
74.87302	2.1
79.05495	12.4
81.03396	3.3
81.07047	37.4
81.38350	1.5
82.07378	1.9
83.04971	6.6
83.08597	7.7
85.06510	3.9
86.09687	6.4
91.05467	13.9
92.70478	1.7
93.07030	31.7
93.78911	1.7
95.04948	6.2
95.08592	39.2
97.06503	4.5
97.10117	4.0
99.08055	7.3
104.10725	9.9
105.07012	46.6
107.08582	37.7
108.08926	1.8
109.06464	3.6
109.10127	23.5
110.10529	2.1
111.08076	9.3
117.07001	9.9
119.08570	31.1
121.06455	2.0
121.09297	2.8
121.10129	35.4
123.08034	3.2
123.11684	14.1
124.99942	4.3
125.09586	2.8
127.11163	2.7
128.06233	2.5
129.06998	8.4
131.08554	24.5
133.10094	33.2
135.08063	2.2
135.11690	21.4
137.09541	1.7
137.13226	7.6
141.06927	2.4
142.07732	5.8
143.08549	22.9
144.09193	2.3
145.09026	2.8
145.10097	36.9
147.11653	32.0
149.05820	1.8
149.09627	4.5
149.13254	14.8
153.12659	6.1
155.08524	12.8
156.09323	4.3
157.10114	30.6
159.11670	38.8
160.12152	1.8
161.09590	4.3
161.13237	20.5
163.11171	4.3
163.14706	7.9
165.12732	4.9
166.23918	1.7
167.08563	2.6
169.10083	14.7
171.07957	2.3
171.11661	21.1
173.09607	3.0
173.11911	2.1
173.13235	18.8
175.11153	7.1
175.14861	12.5
177.09059	2.0
177.12695	4.1
177.16365	2.4
179.14299	3.7
181.10034	4.0
183.08098	1.7
183.11653	14.9
184.07335	22.4
185.09576	2.6
185.13251	15.6
187.11101	5.9
187.14810	14.1
189.12750	3.9
189.16367	9.4
191.10670	3.7
191.14297	5.8
195.11690	8.2
197.13281	9.1
198.68161	1.8
199.11122	2.4
199.14778	13.3
201.12737	4.1
201.16339	7.1
203.10704	2.8
203.14259	6.3
205.12202	5.2
205.15767	2.4
207.11716	2.2
209.13281	6.6
211.14841	7.9
213.12691	4.0
213.16348	7.4
215.10696	3.1
215.14278	4.5
215.17941	2.6
217.12224	7.1
217.15910	2.1
219.13756	2.1
223.14816	6.2
225.12770	3.7
225.16316	7.6
227.17943	4.0
229.12222	5.3
229.15819	2.0
231.13786	7.1
233.15228	1.8
237.16336	3.1
239.14084	2.1
239.18063	4.0
241.15822	2.0
241.19592	1.9
243.13741	5.7
245.15349	3.7
249.14780	4.8
251.17995	2.8
253.19302	2.2
255.13669	1.9
257.15228	3.5
263.16501	1.7
265.19479	2.3
269.15454	2.8
271.16830	1.8
275.16379	2.1
277.19345	3.5
279.21103	2.8
283.16849	2.2
293.95337	1.6
307.24225	2.1
323.20105	1.7
324.20264	1.9
325.21646	1.8
325.25174	2.9
333.25668	10.6
335.27420	2.2
351.26770	37.7
353.24542	5.7
353.28510	4.4
355.25766	1.6
361.25104	6.3
369.23407	2.5
369.27878	32.4
371.25620	9.5
379.26273	58.6
387.49030	1.6
397.27325	100.0
398.27597	2.4
405.31229	4.6
412.20969	4.3
415.28381	38.4
423.32581	11.2
433.31052	2.5
441.33371	2.8
451.31799	10.1
469.33221	11.3
487.34344	4.3
582.29700	6.6
582.39355	6.9
583.29395	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	582.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01865	4.1
55.05498	16.8
57.03428	2.9
57.07052	8.5
59.04965	7.5
65.03914	4.4
67.05491	34.2
68.05820	2.0
69.03412	3.6
69.07053	26.4
71.04982	13.2
75.04455	3.5
77.03960	2.1
79.05471	25.9
81.03395	9.9
81.07042	81.0
83.04949	8.2
83.08603	15.2
85.02877	3.6
85.06526	13.8
91.05460	33.7
93.06464	3.5
93.07033	58.0
95.04948	10.3
95.08590	81.8
97.02841	3.8
97.06509	10.6
97.10137	5.6
99.08057	12.7
105.07011	100.0
107.08571	68.9
109.02844	2.9
109.06487	8.1
109.10136	65.8
110.10504	2.6
111.08067	5.9
111.11674	3.3
115.05428	5.0
117.07005	20.4
119.04887	3.0
119.08567	73.6
121.06437	4.5
121.10125	60.0
122.10880	3.2
123.08035	7.2
123.11673	25.3
125.09563	7.6
127.11166	25.3
128.06229	6.6
129.06982	20.1
131.07050	3.4
131.08536	65.0
132.09308	3.8
133.10107	75.8
134.10939	3.8
135.08038	5.1
135.11665	46.6
136.12321	2.8
137.09581	5.9
137.13239	11.5
139.07433	2.2
141.06914	5.6
142.07745	10.0
143.08536	37.8
143.10619	3.8
144.09320	6.5
145.10095	83.8
146.10680	2.8
147.07985	4.0
147.11661	57.7
148.11937	2.3
149.05902	4.0
149.09607	9.7
149.13231	30.5
151.11122	5.4
151.14751	3.2
153.12782	2.7
155.08530	15.0
156.09329	4.9
157.10106	57.1
158.10681	2.9
159.08083	3.1
159.10155	15.0
159.11642	85.2
161.09587	9.4
161.13226	56.9
163.11165	10.9
163.14780	18.0
165.09102	8.6
165.12793	12.0
167.08504	4.1
168.09311	3.1
169.10098	16.1
171.11667	35.1
173.09637	6.3
173.13229	44.3
175.11159	7.5
175.14790	24.7
177.12663	11.2
177.16360	8.3
179.10664	2.4
179.14290	2.2
181.10098	4.2
181.12041	2.9
183.11635	12.3
185.09608	5.3
185.13226	34.4
187.11174	7.6
187.14799	43.0
188.15457	2.2
189.12694	6.5
189.16324	18.6
191.10638	5.3
191.14264	7.2
191.17923	4.2
193.12209	7.2
195.11655	5.5
195.13664	2.7
197.13249	16.2
199.11179	3.9
199.14781	24.0
201.12718	6.5
201.16351	32.5
203.10660	6.1
203.14244	8.4
203.17943	14.9
205.12199	7.2
205.15839	9.1
205.39275	2.5
207.13712	4.8
209.13258	7.3
211.14830	12.7
213.12685	3.1
213.16347	7.6
215.14191	6.7
215.17873	5.0
217.12199	15.0
217.15804	6.5
217.19469	2.7
219.13770	3.0
219.17397	4.6
221.18822	2.6
223.14792	3.4
225.12631	2.7
225.16304	7.4
227.14391	2.5
227.17920	4.1
229.15875	4.9
229.19504	3.1
231.13773	18.8
233.15419	10.3
237.16315	3.8
238.13181	2.2
239.17850	5.8
241.19249	3.8
243.13548	4.9
245.15312	10.3
247.16855	5.6
249.14742	3.1
251.17964	4.7
253.19611	4.7
257.15118	2.9
263.16333	3.1
265.19226	2.7
271.16727	3.9
272.05719	2.5
299.19879	2.8
310.11517	2.2
325.21481	3.4
327.23306	3.9
337.25241	4.0
345.23972	2.4
347.27301	6.1
357.27271	2.1
365.28329	24.1
375.26624	2.9
383.29486	15.1
389.31784	4.9
393.27792	24.2
407.32962	21.7
411.28995	15.6
417.31744	2.5
425.34119	22.3
435.32510	22.2
441.33652	9.6
443.35199	3.4
453.33582	30.2
459.34503	3.9
469.32928	4.0
471.34406	9.9
487.34204	16.7
505.34991	9.9
582.29565	6.2
582.39618	24.3
583.31073	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.1
55.01866	4.9
55.05498	21.9
57.03447	4.3
57.07051	6.3
59.04996	10.0
59.14636	1.6
62.73444	1.7
63.84542	1.8
65.03939	3.8
67.05497	40.0
67.37656	1.8
69.03417	5.9
69.07057	20.1
69.86299	1.9
71.04993	11.4
75.04461	6.2
79.05479	30.0
80.05811	1.9
81.03406	14.6
81.07045	84.2
83.04962	9.7
83.08610	18.0
85.02870	3.1
85.06532	20.3
88.51933	1.9
91.05466	37.3
93.07031	64.9
95.04953	10.8
95.08592	82.0
97.02865	4.3
97.06506	11.4
97.10150	7.5
99.08089	11.2
100.67989	2.2
101.06008	3.3
103.05440	3.3
105.07017	100.0
107.04935	3.5
107.07851	4.9
107.08576	79.4
109.02865	2.1
109.06513	5.7
109.10143	58.1
111.04456	2.9
111.08080	7.8
113.09634	3.0
115.05432	2.2
117.07001	22.4
119.08569	72.9
121.06472	6.4
121.10124	60.7
122.10928	3.9
123.04382	2.7
123.08060	9.6
123.11691	28.9
125.09605	9.5
127.11183	24.9
128.06306	2.2
129.06998	17.8
130.07771	4.1
131.07053	3.2
131.08548	60.0
132.09332	4.3
133.10114	81.6
134.10860	3.3
135.08023	4.6
135.11673	53.4
137.09592	4.7
137.13219	12.5
139.07564	2.0
141.06981	4.8
142.07759	8.7
143.08533	43.6
143.10651	2.6
144.09337	4.8
145.10101	84.4
147.08008	7.0
147.11668	62.8
148.12106	2.5
149.05911	3.5
149.09572	9.5
149.13235	32.9
151.11171	6.3
151.14803	3.1
153.09038	2.0
153.12654	2.1
155.08543	13.9
156.09323	4.4
157.10101	66.0
158.10867	4.6
159.08086	3.1
159.10204	12.8
159.11656	97.6
160.12482	2.0
161.09608	7.6
161.13228	69.9
163.11160	13.2
163.14807	16.0
165.09132	7.0
165.12715	14.2
167.08559	4.0
169.10114	13.6
170.10899	3.6
171.11673	29.8
172.12271	2.1
173.09595	6.3
173.11758	3.7
173.13222	39.3
175.11217	4.8
175.14812	25.9
177.12750	12.5
177.16357	8.7
179.14301	4.9
181.10092	2.9
183.11679	14.9
185.09636	5.1
185.13216	36.9
187.11150	8.6
187.14796	49.6
189.11194	2.2
189.12753	7.6
189.16316	17.2
191.10672	5.8
191.14212	9.7
191.17902	6.9
193.12219	7.4
193.15950	2.8
195.11655	7.7
195.13626	2.9
197.13220	15.6
199.14803	31.8
201.12737	9.7
201.16379	28.5
203.10674	5.9
203.14279	11.2
203.17891	17.2
205.12253	6.1
205.15883	7.7
205.19537	4.3
207.13858	5.2
209.11601	3.9
209.13303	4.4
211.14922	10.4
213.12769	4.9
213.16368	6.4
215.14343	9.8
215.17926	7.9
217.12178	9.2
217.15819	11.0
217.19472	3.8
219.13797	4.5
219.17470	7.5
221.18919	4.1
223.14894	4.7
225.16364	6.3
227.14409	4.2
227.17932	6.3
229.12296	3.6
229.15886	7.6
229.19530	2.7
231.13811	23.6
233.15312	13.1
233.18915	4.5
237.16458	2.8
239.17949	5.6
241.19458	3.2
243.13756	5.1
243.21082	2.4
245.15422	12.5
247.16876	7.3
249.14600	4.4
251.17987	2.8
257.19165	2.5
265.19611	2.7
267.20978	4.2
271.16904	3.4
277.19638	2.0
279.21194	3.5
281.22464	3.0
297.22043	2.8
299.23785	2.0
305.22446	2.4
309.21909	2.3
311.23630	2.2
313.21384	2.2
319.24179	3.0
321.25620	2.9
327.23044	3.1
337.25183	4.1
339.26672	2.7
343.22748	4.1
347.27380	6.7
353.24210	2.1
365.28384	26.4
367.25897	3.1
375.26917	5.1
383.29532	12.8
389.32266	2.5
393.27762	27.1
407.33057	23.2
411.29025	15.0
425.34018	26.0
435.32455	22.3
441.33359	7.6
453.33588	32.0
459.34647	6.4
469.33234	3.2
471.34372	11.0
487.34048	16.2
505.35129	12.5
565.30109	2.2
582.30109	11.2
582.39960	21.7
583.31354	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	582.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98548	1.8
53.03942	2.8
55.01853	3.4
55.05506	17.5
57.03428	4.6
57.07050	4.2
59.04988	6.6
65.03917	3.3
67.05500	35.8
69.03414	7.1
69.07064	21.0
69.51867	18.4
71.04980	6.1
75.04476	2.7
79.05479	25.3
81.03414	4.7
81.07047	79.3
81.86340	2.2
83.04964	10.3
83.08596	9.7
85.02905	2.3
85.06535	21.0
86.09692	5.5
87.04452	4.8
91.05467	28.5
93.07035	50.3
93.07613	3.1
95.04939	13.0
95.08592	100.0
97.02882	2.2
97.06515	18.3
97.10154	6.6
98.21491	2.3
99.04411	3.6
99.08086	5.0
104.10719	5.2
105.07014	86.8
107.07848	4.2
107.08575	71.9
107.09280	4.1
109.06511	4.3
109.10139	56.8
111.08062	9.5
111.11706	2.4
113.06009	5.0
113.09629	6.8
115.05474	2.8
115.07551	8.2
117.06991	21.9
118.07777	2.3
119.08565	69.6
121.06477	2.6
121.10130	55.2
123.08052	11.8
123.11706	25.2
125.00019	2.6
125.09637	9.3
128.06241	4.6
129.06985	15.9
130.07797	2.9
131.07040	3.1
131.08546	56.2
132.09273	3.0
133.06451	3.3
133.10107	62.0
135.08037	3.0
135.11674	42.9
137.09619	3.6
137.13249	7.3
141.06989	6.0
141.09073	11.2
142.07780	7.9
143.08548	37.1
143.10643	9.7
145.10098	79.4
147.08025	4.8
147.11670	49.2
148.04756	2.0
149.09581	7.9
149.13228	32.1
151.11136	2.4
151.14798	2.3
155.08530	15.7
156.09338	4.9
157.08788	3.4
157.10109	56.9
158.10883	3.6
159.08075	3.1
159.10193	13.0
159.11652	69.4
161.09621	7.2
161.13229	57.0
163.11177	8.5
163.14799	19.1
165.09074	2.1
165.12782	4.3
169.08804	3.8
169.10088	18.7
170.10930	2.6
171.08022	2.8
171.11674	38.5
173.09608	6.6
173.13228	43.8
175.11211	10.1
175.14793	27.4
177.09160	2.9
177.12756	5.7
177.16402	9.4
179.14235	3.6
181.10149	3.3
182.10841	3.2
183.11662	15.2
184.07336	18.5
185.09732	4.0
185.13229	30.3
187.11208	7.0
187.14804	40.4
189.12741	6.9
189.16335	18.1
191.10718	3.2
191.14340	5.0
191.17883	3.5
193.12244	3.3
195.11761	4.6
197.13194	15.5
199.11186	4.2
199.14810	32.1
201.12782	6.7
201.16382	23.4
203.10663	2.9
203.14308	7.5
203.17950	7.6
205.12225	5.5
205.15919	8.0
207.13640	2.6
207.17325	2.4
209.13278	7.1
211.14757	11.4
213.12701	4.2
213.16383	9.7
215.10812	2.5
215.14325	8.3
215.17975	6.1
217.12260	9.9
217.15831	10.5
219.13748	4.8
219.17384	6.0
221.15372	4.3
221.18806	2.5
223.14999	5.2
225.16360	8.4
227.14328	3.1
227.17900	4.9
229.12399	3.0
229.15889	3.1
229.19398	2.8
231.13754	10.3
231.17465	5.1
233.15349	9.7
235.16974	2.2
237.16396	3.8
239.17911	8.3
241.19478	2.6
243.17418	3.5
243.21205	1.9
245.15363	8.1
247.16969	4.5
249.14742	4.0
251.17987	4.4
253.19540	3.5
257.15384	2.6
263.16235	3.6
273.15781	2.2
279.20981	5.1
281.22632	2.9
283.16803	2.0
297.22150	2.0
309.22067	2.3
323.20132	2.5
325.21539	3.9
327.23401	2.3
343.22644	2.7
347.27322	7.0
349.28870	2.6
353.24719	3.2
355.26385	3.5
357.27856	4.1
365.28336	17.4
383.29391	17.5
387.30136	4.9
393.27686	25.5
393.31625	3.6
395.29321	4.7
397.27414	2.9
405.31512	27.7
407.33160	2.6
411.28625	30.3
415.29681	3.2
421.30988	5.3
423.32498	51.2
424.32584	2.8
425.34341	4.8
429.29886	7.2
433.31000	34.7
439.32053	9.1
441.33600	47.6
443.34958	3.8
451.32013	74.6
457.33109	2.4
459.34579	5.9
469.33145	79.0
482.17944	2.4
487.34213	27.4
505.35464	12.1
582.29980	6.2
582.39630	24.7
598.97815	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80329	1.1
52.38153	1.1
53.03936	2.4
55.05510	10.6
57.07052	2.8
57.21058	1.1
58.06591	2.6
59.07366	4.2
60.08159	11.7
65.03922	1.9
67.05159	2.0
67.05495	22.2
68.05778	1.2
69.03413	4.0
69.07061	12.2
69.62641	3.5
69.63066	7.1
71.04959	3.5
71.07364	3.6
73.06554	8.7
79.05487	16.5
81.03420	7.6
81.07050	46.4
83.04967	6.0
83.08617	7.7
85.02898	2.0
85.06512	3.9
86.09695	36.6
91.05465	17.3
93.06465	2.0
93.07031	28.8
94.07353	1.6
95.04964	7.6
95.08595	40.5
97.02856	1.6
97.06548	6.5
97.07079	1.2
97.10151	4.2
98.98442	2.0
99.08068	5.2
104.10732	79.5
105.07018	50.8
107.08588	36.9
109.02856	1.4
109.06519	4.5
109.10146	29.1
111.04445	1.9
111.08091	6.6
113.09620	2.1
115.05452	1.5
117.07012	10.7
119.08566	42.0
121.06477	3.6
121.10131	42.4
123.08034	5.5
123.11700	15.0
124.99985	18.1
125.09599	3.9
127.03910	2.0
127.07566	2.1
127.11132	2.4
128.06157	3.5
129.07010	10.2
131.08556	36.4
133.06482	1.8
133.10118	35.9
135.08047	4.4
135.11681	19.3
137.09563	2.8
137.13274	6.5
139.11176	2.5
141.06967	3.3
142.07745	7.8
143.08551	29.2
144.09290	2.5
145.06438	2.3
145.09013	2.6
145.10112	38.9
145.11269	2.2
146.10548	1.4
147.04388	1.9
147.07996	4.6
147.11676	43.2
149.06026	1.5
149.09567	6.4
149.13251	15.1
151.11159	3.4
153.12766	7.0
154.07677	1.6
155.08525	15.5
156.09373	4.2
157.08768	1.8
157.10104	36.1
158.10808	1.4
159.10416	2.8
159.11662	38.8
161.09581	4.0
161.13252	24.9
163.07603	1.6
163.11171	6.8
163.14796	11.4
165.12762	6.4
167.08466	1.9
169.10130	13.1
170.10828	2.5
170.47574	1.4
171.11664	24.7
172.12138	2.2
173.06030	1.4
173.09598	5.5
173.11766	1.8
173.13234	19.8
175.11140	5.0
175.14813	12.3
177.09106	2.4
177.12712	3.8
177.16397	3.1
179.14270	3.2
181.10112	5.7
182.10910	1.8
183.11676	13.3
184.07321	83.6
185.09566	1.7
185.13220	18.9
187.11238	6.5
187.14775	14.4
189.12695	4.7
189.16446	7.4
191.10657	4.7
191.14276	6.0
193.12225	2.7
193.15913	1.4
194.10860	1.8
195.11664	7.0
197.09746	1.6
197.13208	12.1
199.11246	3.3
199.14792	9.4
201.12645	4.1
201.16472	6.4
203.10741	2.3
203.14316	5.2
203.17921	3.7
205.12207	6.0
205.15816	2.7
207.11810	2.9
207.13782	2.8
207.17345	1.6
209.11530	2.7
209.13371	7.1
211.11258	1.8
211.13089	2.1
211.14832	9.2
213.12852	3.0
213.16365	5.0
215.10634	3.0
215.14276	3.7
215.17882	2.0
217.12274	6.9
217.15860	3.6
219.13733	2.2
221.13261	1.7
223.14761	5.9
225.12727	2.5
225.16252	6.3
227.14392	2.6
227.17932	4.2
229.12196	3.9
229.14154	2.2
229.16055	2.3
231.13803	10.0
233.15381	4.3
235.14973	2.4
237.16315	5.3
239.17863	5.0
241.15857	1.9
243.13741	5.7
245.15269	4.0
251.17963	2.1
253.19368	1.8
255.13702	1.8
257.15375	2.7
261.14810	3.3
263.18222	1.6
265.19180	2.2
269.15213	1.5
275.16354	2.2
277.19370	2.8
279.21078	4.2
283.17062	2.1
291.20959	2.2
305.22394	2.3
307.24133	2.5
312.11630	1.5
323.23688	2.6
325.21494	2.7
325.25128	5.0
333.25797	11.8
335.27252	2.7
351.26797	38.7
353.24661	5.9
353.28522	2.4
361.25278	7.1
369.27841	37.1
371.25909	8.3
379.26285	59.2
394.19489	2.1
397.27344	100.0
398.27747	3.1
405.31424	4.0
412.20892	26.2
415.28381	30.4
421.25510	1.7
423.32492	8.1
425.34833	1.7
433.30576	2.5
441.33423	2.7
451.32010	7.0
469.32977	10.8
487.33914	2.1
565.29645	1.9
582.29962	17.5
582.39441	3.9
583.31244	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	581.1644
Annotation	leufolin A
Peak:m/z	Relative Intensity
50.97329	0.2
53.03937	0.3
55.01880	0.2
55.05504	0.2
57.03428	0.3
65.03916	1.0
67.01851	1.8
67.05504	0.4
68.99780	0.7
69.03402	0.5
69.07059	0.3
69.81561	0.3
69.81969	0.7
70.03686	0.2
71.04977	0.3
78.13463	0.1
79.05502	0.3
81.03398	1.8
81.07040	1.4
82.07387	0.2
85.02892	2.1
86.03228	0.2
91.05465	10.3
93.07044	0.6
95.04951	0.3
95.08581	0.4
97.02882	0.7
97.06461	0.2
99.04454	0.2
105.07027	0.8
106.07353	0.2
107.04930	0.6
107.08576	0.6
109.02868	0.8
109.10134	0.8
111.00756	0.3
111.16655	0.1
119.04922	23.6
119.08554	1.7
120.05260	0.3
120.08907	0.5
121.02837	0.3
121.06484	0.6
121.10102	0.3
123.04404	0.3
125.02316	0.3
127.03903	0.4
127.11151	0.7
129.01773	0.2
133.10129	0.3
135.11681	0.6
136.12032	0.4
145.04912	0.3
147.04384	100.0
148.04773	1.1
149.13165	0.2
151.03870	0.2
153.01801	22.0
163.03879	0.7
163.05977	0.2
165.01842	0.9
165.05449	0.7
171.02858	12.4
177.01855	0.4
177.05415	0.2
179.03377	0.7
183.02885	0.5
189.01735	0.5
195.02855	3.9
203.17914	0.7
204.18309	0.6
207.02853	0.2
215.72385	0.2
219.02899	0.3
221.18967	2.3
222.19312	2.1
231.02847	0.3
243.02916	0.3
261.03818	0.8
273.07529	19.9
274.07886	0.2
285.07504	0.2
291.08560	1.2
309.09543	0.6
315.08572	1.6
325.07019	0.3
325.60141	0.2
339.08667	0.2
363.08694	0.3
381.09497	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1492
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.35368	0.2
54.75651	0.2
55.01849	0.4
57.03427	4.4
57.90416	0.2
58.90689	0.2
61.02911	1.6
68.60941	0.2
68.99781	0.3
69.03407	1.5
69.07066	0.3
71.04977	2.1
71.61584	0.5
73.02492	0.5
73.02906	9.8
79.05477	0.3
81.03387	0.9
81.07027	0.3
83.04958	0.3
85.02891	4.6
87.04441	0.3
90.35809	0.2
90.79199	0.2
91.05479	0.4
93.07013	0.4
94.42352	0.2
95.04964	0.5
95.08607	0.3
97.02898	1.5
105.07052	0.5
107.04919	0.3
107.08580	0.3
109.02869	1.0
109.10143	0.4
111.00792	0.9
111.04434	0.3
115.03910	0.8
121.02844	1.8
121.06444	0.3
121.10055	0.3
123.04395	0.9
127.03886	1.7
129.05438	0.7
133.06477	0.3
135.04424	0.4
137.02315	2.0
137.05911	0.4
137.09579	0.7
139.03851	0.9
145.04945	0.4
145.06448	0.5
147.04362	0.8
149.02315	0.3
153.01810	3.6
157.06471	0.3
161.05933	0.3
163.03879	0.8
165.01822	1.9
165.09128	0.4
166.02565	0.3
167.07011	1.2
173.05992	0.5
177.05473	0.6
178.19569	0.2
181.04922	0.5
183.02875	0.9
183.06526	0.3
187.07489	0.3
191.07101	0.4
195.20941	0.2
201.05464	1.2
209.08009	0.3
217.05168	0.3
219.06459	0.3
223.09576	0.3
229.04903	3.1
231.09969	0.3
241.05104	0.3
247.05945	0.9
249.11220	1.5
257.04471	2.4
258.05310	0.5
274.04803	0.7
281.10107	0.3
285.03848	1.5
287.05457	30.2
288.05740	0.4
303.04941	100.0
304.05280	0.9
313.11960	0.3
345.06039	0.3
401.15915	1.2
419.09534	2.5
419.14166	0.4
435.08774	1.2
449.10715	9.3
563.15790	0.5
581.18585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01580	0.5
57.03435	0.8
57.22662	0.5
63.54033	0.5
69.03419	2.3
70.36445	1.0
70.36817	2.2
73.02907	0.9
81.03413	0.6
85.02890	4.4
97.02877	2.2
98.21452	0.7
98.97623	0.5
101.00848	0.9
109.02892	0.6
119.01927	1.8
121.01677	1.5
121.02859	1.7
121.42852	0.5
123.04465	1.1
127.03926	3.7
128.04219	0.7
131.01880	0.7
135.04309	1.2
137.05998	1.6
139.03860	1.5
143.01918	0.7
145.03447	0.8
145.04955	1.4
147.03221	0.8
147.04338	0.6
157.03433	1.6
159.03183	1.5
161.02965	1.5
163.03847	0.8
165.04153	0.7
167.07047	0.7
173.02959	1.0
175.04488	0.7
177.04233	1.1
185.02943	0.7
202.05083	0.8
216.04214	0.6
221.05095	0.7
223.06569	1.2
224.06859	0.9
225.06232	2.8
239.07735	0.7
243.07391	1.2
245.05046	1.6
259.32611	0.6
265.07852	0.6
287.05566	1.9
293.09000	1.6
320.06400	0.7
322.64624	0.6
329.10760	0.8
337.09738	1.0
343.10052	0.7
367.10852	1.4
381.06940	1.1
388.12466	0.6
389.13202	1.2
399.07828	2.6
448.16702	0.6
581.16248	100.0
582.16681	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	581.1649
Annotation	leufolin A
Peak:m/z	Relative Intensity
53.03944	0.2
54.62121	0.1
55.01885	0.1
57.03423	0.3
57.99200	0.1
65.03926	0.8
67.01855	1.3
68.99417	0.1
68.99783	0.3
69.03413	0.7
70.05702	0.2
70.05991	0.6
70.12421	0.1
70.52151	0.1
71.04948	0.2
73.02905	0.1
73.77737	0.1
74.02120	0.1
79.05483	0.2
81.03413	3.1
81.03905	0.2
81.07063	0.3
82.79260	0.1
85.02900	1.4
89.03876	0.1
90.51348	0.1
91.05470	7.7
93.07034	0.1
93.20007	0.1
95.04955	0.1
95.08624	0.1
97.02904	0.6
99.04446	0.4
105.07032	0.2
107.04958	0.5
107.08528	0.2
109.02865	1.0
109.10136	0.2
111.00790	0.1
117.49297	0.1
119.04932	20.2
120.05241	0.3
121.02843	0.3
121.06483	0.5
121.10128	0.1
123.04437	0.3
123.11715	0.1
125.02299	0.2
127.03895	0.5
129.01784	0.2
131.04942	0.2
133.10138	0.2
139.03856	0.1
145.02841	0.2
145.04962	0.1
145.94370	0.1
147.04395	100.0
148.04735	1.3
151.03908	0.2
153.01810	11.0
154.02084	0.2
163.03908	1.3
165.01831	0.5
165.05469	3.5
165.06856	0.2
167.07051	0.1
171.02879	7.5
177.01796	0.2
177.05437	0.2
179.03415	0.3
180.88788	0.1
183.02863	0.2
191.03409	0.2
191.06778	0.1
195.02884	4.5
196.03098	0.1
215.03384	0.2
219.02856	0.2
224.55615	0.1
243.02863	0.2
249.07597	0.2
257.04422	0.2
261.03949	0.6
273.07544	8.3
291.08609	4.5
297.07648	0.3
309.09705	2.5
315.08606	1.7
339.08374	0.3
363.08536	0.4
381.09457	0.8
381.72760	0.1
462.30634	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	581.1492
Annotation	Leucoside
Peak:m/z	Relative Intensity
54.20225	0.2
55.01861	1.3
57.03429	2.2
59.04982	0.4
61.02910	0.3
63.00959	0.2
67.05490	0.2
68.99773	0.3
69.03418	1.6
71.01333	0.6
71.47075	0.4
73.02905	1.3
73.05857	0.2
75.45867	0.2
81.03418	0.3
82.65629	0.2
82.68555	0.2
85.02885	2.4
87.04460	0.4
95.04929	0.3
97.02853	0.7
97.86172	0.2
107.04933	0.5
109.02881	0.4
111.00766	0.4
115.03905	0.8
121.02847	1.7
123.04402	0.5
127.03886	0.5
133.02834	0.5
133.04042	0.2
133.04909	1.5
135.04381	0.2
137.02307	0.7
137.05988	0.2
139.03867	1.0
144.05768	0.2
145.06366	0.2
147.04396	0.5
153.01808	2.2
157.06444	0.4
159.08069	0.4
161.93314	0.2
163.03821	0.4
165.01842	1.5
167.07050	0.6
173.05968	0.3
181.04906	0.2
183.02861	0.6
183.06505	0.5
187.07535	0.5
203.07013	0.3
213.05388	1.0
218.09387	0.3
219.10081	0.5
226.24997	0.2
231.06482	0.6
231.10197	0.4
241.04878	0.7
243.06656	0.3
249.11174	2.8
258.05148	0.9
259.05875	0.2
269.04599	0.2
278.91412	0.2
281.10086	0.2
287.05444	100.0
288.05786	1.1
299.05472	0.3
325.07263	0.2
329.06647	0.2
335.61633	0.2
365.06451	0.2
369.13260	0.3
383.07266	0.2
388.17438	0.4
401.15866	2.0
433.95813	0.2
449.10736	11.6
450.10962	0.2
581.20618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.149
Annotation	Quercetin 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
52.58348	0.1
55.01861	1.2
57.03145	0.1
57.03423	2.2
59.04968	0.3
61.02898	0.5
67.05482	0.1
67.38705	0.1
68.99773	0.2
69.03415	1.2
71.01345	0.7
71.04982	0.7
71.62653	0.2
73.02904	1.2
75.04436	0.1
81.03384	0.4
85.02884	2.5
87.04438	0.3
91.05454	0.1
93.03391	0.1
95.04934	0.2
97.02862	0.6
103.03887	0.3
103.05423	0.2
105.06989	0.3
107.04942	0.2
109.02836	0.3
111.00752	0.6
111.04400	0.2
115.03918	1.0
115.05387	0.1
121.02841	0.7
123.04383	0.3
127.03870	0.2
127.49665	0.1
129.05440	0.3
129.27014	0.1
131.04871	0.3
133.04947	1.4
133.06453	0.5
135.04401	0.1
137.02301	2.3
137.05980	0.3
139.03880	0.2
140.22263	0.1
144.25330	0.1
145.06450	0.2
147.04372	0.2
147.06453	0.1
149.02303	0.4
153.01788	2.6
161.05954	0.9
163.03903	0.5
163.07529	0.2
165.01790	1.6
166.02548	0.3
167.06970	1.2
168.07292	0.5
169.07523	0.2
173.05927	0.4
177.01859	0.1
179.03307	0.1
181.04913	0.4
183.02892	0.6
183.04224	0.2
187.03905	0.2
191.03517	0.1
191.06895	0.5
193.08562	0.5
195.02809	0.1
201.05466	1.0
205.04951	0.1
213.05461	0.1
215.03415	0.1
219.06480	0.3
229.04927	3.3
247.05960	0.6
257.04364	2.2
274.04614	0.7
275.05472	0.2
285.03934	1.2
286.04553	0.1
287.05432	0.6
303.04910	100.0
304.05161	0.9
315.04831	0.1
329.19766	0.1
435.09073	0.2
449.10687	9.5
450.10886	0.1
581.21637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.1
53.72143	0.1
55.01850	0.2
55.05494	0.4
57.03392	0.2
61.02901	0.2
63.56057	0.1
63.90098	0.1
65.03916	0.6
67.01846	0.2
67.05497	0.9
68.99215	0.1
68.99784	0.2
69.03420	0.9
69.07056	0.4
70.63888	0.4
70.64240	0.2
71.04978	0.3
74.33529	0.1
75.08003	0.1
79.05470	0.6
81.03403	1.1
81.07053	1.3
83.04959	0.5
83.08604	0.2
85.02892	1.4
85.06522	0.7
91.05467	5.3
93.07045	1.0
95.04956	0.6
95.08578	1.2
97.02885	1.0
97.06514	0.4
97.10175	0.3
97.95640	0.1
99.04417	0.2
100.11267	0.3
105.07050	1.0
107.04936	0.5
107.08562	1.1
109.02842	0.6
109.06490	0.3
109.10149	0.9
111.04417	0.2
111.08054	0.2
113.85088	0.1
114.86385	0.1
117.03346	0.2
117.06981	0.3
119.04926	15.4
119.08535	0.9
121.02847	0.3
121.06519	0.3
121.10133	0.9
123.04404	0.5
123.08036	0.3
123.11697	0.2
125.09604	0.4
127.03898	0.5
128.04211	0.1
129.06984	0.2
131.04872	0.2
131.08548	0.6
133.10094	0.8
135.04387	0.1
135.08029	0.3
135.11697	0.4
137.05928	0.3
137.09616	0.4
137.13300	0.2
139.03894	0.3
143.08542	0.3
145.02840	0.4
145.04961	0.4
145.06427	0.2
145.10118	0.6
147.04388	100.0
147.11676	0.4
148.04724	0.6
149.13185	0.2
151.03940	0.4
151.11163	0.2
153.01804	2.2
153.05431	0.2
155.08539	0.2
157.10118	0.3
159.11664	0.5
161.06041	0.2
161.09637	0.3
161.13202	0.3
163.03922	0.8
163.11133	0.2
165.05464	1.0
165.09154	0.2
167.07077	1.4
167.08463	0.3
169.10139	0.2
171.02853	1.8
171.11624	0.2
173.13249	0.3
175.14732	0.2
177.05431	0.6
177.16399	0.2
179.03316	0.1
181.04857	0.2
182.15317	0.2
183.11679	0.4
185.13414	0.2
187.14804	0.2
193.08719	0.2
195.02863	1.0
195.06592	0.2
197.13150	0.2
201.05508	0.2
201.16440	0.3
203.18005	0.3
204.18135	0.2
209.13382	0.2
210.14926	0.2
211.14763	0.2
219.17383	0.3
221.18930	0.4
237.18465	0.3
239.20058	0.3
261.03955	0.2
261.07724	0.1
273.07507	2.1
279.08594	9.9
287.05408	0.3
291.08649	1.0
303.04999	1.3
309.09747	0.5
315.08569	0.5
327.04935	0.1
363.08575	0.2
581.19879	0.2
581.32318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01861	2.4
55.05505	19.9
57.03429	13.2
65.03922	2.4
67.05501	50.9
69.03422	3.9
69.07068	13.9
69.27235	13.8
71.04987	4.7
78.99763	1.0
79.05489	43.9
79.05956	2.2
81.03413	41.2
81.07053	54.8
83.04977	12.1
83.08613	18.6
85.02895	14.8
85.06554	2.8
91.05470	32.7
93.07038	43.1
95.04957	19.5
95.08598	38.5
97.02877	2.6
97.06509	3.1
97.10158	3.4
98.20702	2.2
105.07022	24.1
107.04939	6.0
107.08588	18.6
109.06487	4.6
109.10145	12.8
111.08055	8.2
113.05981	1.2
117.07000	3.6
119.08574	22.0
121.06518	1.2
121.10133	19.5
123.08039	2.4
123.11736	6.6
129.07014	7.6
131.08560	12.2
133.06488	2.4
133.10117	13.5
135.11665	8.9
137.09572	1.7
142.07770	2.0
143.08571	1.1
145.10078	3.8
147.08038	2.2
147.11659	14.5
149.09644	5.3
149.13231	4.0
151.11172	1.2
157.10127	8.2
159.11693	5.2
161.13188	3.0
165.12778	1.8
173.13284	3.4
175.11171	11.0
177.16432	1.2
187.14832	2.0
193.10442	1.9
193.12233	37.1
208.04489	1.2
211.13280	48.7
211.15256	2.6
243.21014	1.8
261.22162	8.9
267.15897	12.5
285.16931	50.3
317.24768	2.7
335.25772	100.0
336.26431	1.4
453.33716	1.4
483.06705	1.2
527.37494	11.3
528.75903	1.1
545.38330	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43597	4.8
53.03936	4.9
54.63162	4.7
55.05505	23.1
57.03423	14.8
59.54904	4.7
67.05172	6.0
67.05495	87.0
69.07059	24.3
71.62444	5.7
71.62832	8.7
79.05478	66.9
81.03371	7.5
81.07047	100.0
83.04956	12.0
83.08596	19.1
85.06515	9.0
91.05455	51.4
93.06470	5.8
93.07030	89.8
95.04942	18.2
95.08593	44.2
97.06519	11.3
99.08043	5.0
105.07021	65.1
107.08575	51.8
109.06509	4.5
109.10115	18.8
111.08070	13.8
117.06999	21.0
119.08573	51.4
121.10106	38.0
121.46691	5.1
123.08022	5.3
123.11651	8.3
126.01927	5.0
129.06961	12.1
131.08557	28.8
133.10123	42.2
135.11658	20.3
143.08533	11.9
145.10078	19.7
147.11659	45.8
149.13228	35.6
157.10057	7.2
159.11650	27.3
161.13226	25.5
165.27406	5.3
169.10164	4.7
171.11664	11.6
173.13254	11.8
175.14754	9.6
177.12743	6.7
185.13177	8.9
187.76634	5.1
195.13747	10.0
203.46649	5.4
231.20943	5.0
241.19556	28.0
259.20508	86.3
267.15903	17.9
269.17453	90.3
315.23126	15.3
333.24274	66.2
335.25742	12.8
372.93463	6.3
396.08313	5.4
504.34900	5.7
509.36340	5.6
527.37079	51.7
545.38068	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	580.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
55.01870	3.0
55.05500	24.0
57.03421	5.8
57.07060	6.6
59.04989	5.4
65.03912	4.3
67.05497	42.6
69.03410	7.8
69.07058	29.1
71.04984	14.3
77.03880	2.4
78.82729	2.9
79.05484	29.6
79.05909	4.2
81.03402	5.8
81.07047	81.4
83.04969	7.0
83.08598	10.4
85.06541	12.7
85.06990	2.7
85.93700	2.8
88.65113	2.3
91.05466	46.7
93.07029	64.2
93.92168	2.1
95.04940	11.9
95.08592	80.3
96.08937	2.7
97.06519	18.8
97.10148	6.0
99.04445	2.7
99.08125	3.4
99.42817	2.3
103.05444	2.9
105.07011	100.0
107.08577	72.9
109.06500	10.5
109.10139	50.6
111.08068	8.4
113.06036	3.3
113.09602	5.4
115.05407	3.8
115.07538	2.5
117.07002	24.8
119.08562	72.7
121.06496	7.3
121.10126	49.3
123.08109	14.6
123.11684	17.7
125.09611	16.9
127.03907	4.7
127.11178	12.6
128.06200	11.3
129.06970	20.9
130.07776	4.5
131.08553	56.1
132.09369	2.7
133.10106	72.6
135.08049	9.0
135.11655	28.6
137.09595	6.4
137.13216	6.3
137.76888	2.6
139.07504	3.2
139.11151	2.5
141.06987	8.7
141.09140	2.5
142.07735	19.1
143.08548	47.8
143.10669	2.4
144.09335	6.1
145.10104	80.6
147.08023	3.8
147.11670	45.7
149.05940	2.9
149.09601	14.1
149.13246	17.0
151.11156	5.7
151.14880	2.9
154.07727	5.4
155.08546	24.8
156.09282	9.0
157.10092	60.2
158.10834	3.3
159.08028	5.9
159.11674	68.4
160.12242	3.0
161.09612	8.6
161.13226	43.6
163.11197	12.1
163.14816	10.8
165.12759	4.5
167.08591	3.7
169.10121	28.4
170.10892	5.4
171.11679	34.5
173.09584	5.3
173.13231	33.5
175.11258	8.7
175.14796	12.3
177.12798	6.9
179.14177	3.1
181.10083	10.4
181.12231	14.0
182.10922	5.7
183.11664	19.4
185.09669	4.3
185.13243	36.8
186.13680	2.9
187.11139	5.4
187.14796	35.5
189.12750	6.0
189.16328	11.4
191.10649	7.0
191.14314	4.0
193.10129	4.6
194.10849	4.0
195.11670	9.8
196.12495	3.2
197.13197	13.8
199.11148	3.2
199.14780	25.6
201.12796	6.6
201.16389	12.9
203.10670	5.7
203.14313	7.0
203.17935	4.4
205.12283	4.4
205.15950	3.7
207.11716	4.2
209.13210	9.0
211.11191	3.6
211.14809	9.8
211.85927	2.5
213.12671	7.4
213.16347	7.3
215.10693	3.2
215.14262	6.0
215.17899	4.7
217.12242	6.1
217.15802	8.9
217.19388	2.8
219.13841	3.1
221.13326	3.7
221.19250	2.3
223.14763	7.6
225.12674	4.6
225.16394	8.8
227.14406	5.1
229.12177	3.5
229.19421	3.9
231.13794	19.3
233.15424	5.1
237.16383	5.6
238.16849	2.8
239.17979	4.5
243.11491	2.4
243.13794	5.1
245.15341	7.8
249.16347	3.3
251.17810	4.2
253.15848	2.8
253.19385	6.2
265.19336	2.6
271.16879	2.3
279.21143	4.9
283.16898	3.2
287.05432	3.6
299.19934	3.4
311.20279	3.1
325.21445	3.3
341.21069	3.0
343.22726	6.8
360.00342	2.6
367.26099	2.6
396.43820	2.5
405.31445	6.5
411.28836	3.2
423.32547	4.3
433.30759	3.9
439.31693	5.1
449.30209	3.7
450.30856	2.4
451.32065	11.1
467.31442	5.5
469.32770	6.9
485.32684	7.4
503.33539	4.4
580.38867	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04522	2.4
53.03928	4.0
55.01853	4.3
55.05282	2.1
55.05499	21.3
57.03438	10.4
57.06648	1.9
57.07061	5.8
59.04977	6.9
65.03929	2.2
67.05170	2.6
67.05499	37.3
68.05833	2.7
69.03403	9.2
69.07056	22.0
69.97746	10.3
71.04965	6.0
75.04461	10.6
79.05481	24.7
81.03388	9.2
81.06571	4.0
81.07050	65.6
83.04961	15.8
83.08604	10.0
85.02884	6.2
85.06535	13.0
87.04458	7.9
91.05463	36.2
93.07033	55.0
95.04967	17.9
95.08598	69.8
97.06523	15.3
97.10133	6.0
98.21396	3.5
99.04435	5.2
99.08053	7.6
103.05413	2.5
105.07014	100.0
107.04970	2.6
107.08578	66.9
109.06501	6.9
109.10139	49.1
111.04443	3.8
111.08063	10.1
113.06004	11.3
113.09634	3.2
115.05416	3.3
117.06989	23.6
119.08568	63.5
119.15393	2.2
121.06473	5.8
121.09296	4.3
121.10130	51.8
123.04386	4.6
123.08054	16.9
123.11683	23.2
125.09602	14.9
127.03894	4.4
128.06210	4.1
129.06987	25.2
131.07043	3.0
131.08539	61.2
133.10107	71.1
134.10503	2.3
135.04407	2.8
135.08032	3.8
135.11674	44.6
137.09618	3.3
137.13193	5.1
139.03848	3.0
141.06970	8.3
141.09044	11.1
142.07770	13.1
143.08540	48.6
144.09291	4.8
145.06442	3.2
145.10097	81.1
147.04417	3.2
147.08041	7.6
147.11674	54.8
148.11983	3.1
149.06021	3.2
149.09616	10.3
149.13245	22.4
151.14696	2.1
155.08525	19.3
156.09300	5.4
157.08743	4.3
157.10098	65.3
158.10738	3.3
159.08081	3.0
159.10185	11.0
159.11662	77.4
160.11957	3.6
161.09612	8.9
161.13242	52.7
163.11153	9.1
163.14775	11.3
165.12712	4.3
167.08539	3.1
167.10625	3.4
168.09290	3.8
169.10106	27.2
170.10825	5.0
171.11665	48.9
173.09581	9.4
173.13245	35.8
175.11171	11.4
175.14789	19.4
177.09103	3.8
177.12732	11.5
177.16415	6.2
179.10782	2.1
179.14273	4.2
180.09203	2.2
181.10112	7.1
182.10722	2.6
183.11685	24.5
185.09668	3.9
185.13242	35.2
187.11147	7.1
187.14796	38.5
189.12677	10.7
189.16362	9.3
191.10559	4.3
191.14320	6.1
193.10143	5.4
193.12106	5.1
193.15691	2.5
195.11630	12.8
196.12488	2.7
197.13263	15.5
199.11095	6.5
199.13148	3.2
199.14795	29.6
201.12704	7.9
201.16354	14.3
203.10632	6.0
203.14301	12.5
203.17899	2.7
205.12131	4.4
205.15799	5.2
207.11574	4.9
207.13705	3.4
209.11548	3.9
209.13226	8.6
211.10983	2.8
211.14835	13.5
213.12679	6.0
213.16307	7.5
215.14246	11.4
215.17874	4.1
216.08151	2.6
217.12292	10.9
217.15811	14.5
217.19417	2.6
219.13625	3.2
219.17294	3.8
221.13354	5.4
221.15370	4.3
223.14780	6.5
225.12747	4.5
225.16360	8.1
227.14337	5.2
227.17923	4.1
229.15942	4.0
231.13699	16.4
233.15385	8.6
235.16809	4.4
237.16460	4.6
239.14131	3.1
239.17940	3.9
241.15927	2.8
243.13815	2.8
243.17444	3.7
243.21104	2.9
245.15392	10.2
247.16853	4.0
249.14633	3.8
251.17964	3.6
253.15631	2.5
253.17830	3.2
257.15475	2.8
263.16229	3.9
287.05457	4.8
288.05777	3.6
297.18433	3.1
305.22614	2.3
321.25607	2.5
325.21527	6.5
325.25146	3.6
331.24213	4.0
343.22675	3.4
345.25601	3.5
347.27527	3.6
349.25195	8.5
353.24789	5.8
355.26434	2.5
357.88184	2.4
363.26761	8.6
365.28400	3.2
367.26285	13.6
371.25748	3.9
373.27197	4.5
377.24551	11.6
381.28098	15.2
385.27466	6.7
391.26047	4.7
393.27805	4.9
395.25760	14.6
399.28949	3.5
403.29886	8.5
405.31635	4.4
409.27197	8.8
411.28714	6.1
413.26834	7.3
421.30893	20.9
423.32297	2.6
427.28195	7.3
431.29407	13.7
433.30664	3.0
437.30396	8.7
439.26324	3.3
439.32053	52.3
440.32382	3.0
441.27353	3.0
441.33261	3.0
449.30496	28.0
451.32101	10.5
455.31598	7.6
457.33090	20.2
467.31558	82.8
468.31763	7.7
485.32602	57.8
486.32773	3.2
503.33759	26.8
580.30414	2.0
580.38544	15.3
581.29846	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	580.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.01863	5.4
55.05504	22.3
57.03428	6.1
57.07064	4.5
59.04989	6.6
65.03943	5.3
67.05161	3.6
67.05499	50.8
69.03417	7.3
69.07063	21.9
71.04980	8.3
71.62897	2.3
71.79496	1.8
75.04465	3.7
77.03918	2.2
79.05487	31.1
79.20065	2.0
81.03401	11.9
81.07049	69.8
83.04974	11.7
83.08604	9.9
85.02901	3.2
85.06536	7.0
91.05477	40.0
93.07035	65.0
95.04966	13.0
95.08598	72.9
96.08963	2.7
97.02946	2.9
97.06500	12.5
97.10158	6.5
99.08086	5.4
101.05992	2.7
103.05515	2.5
105.07020	100.0
106.52334	1.9
107.04954	2.7
107.08582	66.2
107.09280	3.8
107.50079	1.9
109.02878	3.2
109.06524	9.7
109.10143	59.8
111.04458	2.9
111.08064	8.7
115.05428	4.7
115.07529	2.8
117.07002	22.7
119.08566	64.2
121.06531	7.5
121.10126	54.3
121.11003	2.1
123.04398	2.7
123.08025	9.8
123.11677	16.8
125.05919	2.4
125.09618	9.1
127.03835	3.7
127.11173	10.7
128.06175	9.8
129.07005	25.9
130.07800	5.4
131.08556	55.5
132.09357	3.4
133.10114	58.2
135.08049	4.9
135.11693	31.8
137.09612	3.0
137.13234	7.3
139.07457	2.9
141.06964	9.6
142.07793	15.2
143.08551	42.5
144.09317	4.5
145.10106	77.1
146.10655	2.5
147.08015	6.7
147.11667	48.1
148.12013	2.8
149.05963	3.3
149.09587	8.9
149.13223	18.5
151.11186	4.6
151.14821	3.3
153.09093	2.1
154.07710	2.6
155.08549	25.2
156.09312	8.4
157.10114	61.5
158.10730	6.5
159.08025	2.5
159.10265	5.2
159.11668	63.6
160.12054	2.5
161.09598	8.1
161.13248	35.4
163.03815	2.3
163.11121	10.4
163.14827	9.8
165.12766	5.8
167.08562	4.9
168.09238	2.6
169.10133	24.6
170.10889	4.8
171.07881	2.0
171.11656	37.5
172.12160	4.5
173.09605	7.8
173.11775	2.9
173.13249	31.9
175.07498	2.1
175.11157	7.1
175.14807	18.6
177.09151	3.1
177.12735	8.8
177.16380	3.8
181.10097	9.2
181.12146	4.5
182.10861	4.8
183.11693	19.5
185.09645	4.6
185.13228	32.3
186.13603	2.6
187.11171	9.3
187.14769	22.3
189.12794	4.9
189.16382	7.6
191.10689	2.4
191.14345	2.1
191.18121	2.2
193.10074	3.8
195.11731	9.7
196.12314	1.9
197.09547	2.4
197.13243	18.2
199.11183	6.3
199.14781	19.3
201.09140	2.7
201.12720	7.4
201.16385	9.3
203.10680	3.0
203.14279	7.3
203.17934	5.1
205.12164	3.0
205.15892	3.9
207.11682	4.3
209.11499	3.3
209.13272	7.8
211.14851	8.0
213.12794	7.4
213.16396	5.9
215.10710	3.0
215.14270	5.0
215.18022	2.7
217.12238	8.7
217.15883	6.1
217.19411	3.5
219.13892	3.9
219.17432	2.4
221.13312	4.9
223.14873	7.7
225.12701	3.9
225.16412	6.6
227.14392	2.5
227.17979	3.0
229.12276	4.7
229.16028	2.8
231.13742	20.6
233.15317	2.8
235.14946	3.0
237.12814	2.2
237.16344	7.3
239.17990	3.8
243.13757	4.7
245.15350	8.2
251.17903	6.5
253.19490	3.0
255.13818	4.6
257.15451	3.2
269.15329	2.4
277.19708	2.9
279.21085	5.7
285.18491	2.7
288.05847	2.8
297.22107	3.6
307.24060	2.9
325.21613	8.7
343.22684	10.1
351.26831	5.2
353.24658	5.8
363.26834	4.0
369.27789	3.5
371.25412	3.9
379.26208	8.9
381.27802	5.4
397.27216	6.4
405.31427	5.8
409.27087	4.9
415.28415	3.1
423.32495	4.2
433.30984	3.0
439.32001	10.2
451.32001	11.8
467.31467	4.5
469.33209	4.5
483.82080	2.1
485.32535	6.4
503.34039	3.3
580.31116	7.2
580.39435	11.2
581.29565	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	580.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01870	0.5
55.05500	1.8
57.03422	1.2
61.02903	2.2
65.03922	1.1
67.01861	0.7
67.05485	2.7
68.99786	0.6
69.03413	4.9
69.07061	3.6
70.13030	0.4
71.04980	7.2
73.02906	0.8
77.05469	0.5
79.05470	4.5
79.76414	0.4
81.03407	3.1
81.07041	27.4
83.08587	0.6
85.02892	27.3
91.03929	1.4
91.05470	12.0
93.07031	9.4
95.08589	5.8
97.02858	6.7
97.06506	1.3
98.21509	1.3
99.04429	1.3
99.08069	2.2
104.96250	0.5
105.07014	17.0
107.08573	13.3
109.02845	3.0
109.10137	12.0
113.09610	1.2
117.07005	0.9
119.04921	22.3
119.08561	41.5
121.06499	0.8
121.10112	2.3
123.04356	0.8
123.11700	3.6
127.03901	8.0
127.11168	16.3
131.08557	0.8
131.70673	0.5
133.10107	8.7
135.11670	23.1
139.03886	0.9
143.10599	0.7
145.02832	1.4
145.04932	11.7
145.10153	0.7
147.04384	100.0
147.11668	9.7
149.13242	3.3
153.01805	18.1
161.13255	3.0
163.05966	5.8
163.14713	0.6
165.01820	0.7
165.05457	0.6
171.02863	10.8
175.03899	1.2
177.05472	2.8
177.16348	0.8
178.47519	0.6
179.03355	0.8
189.16292	0.5
195.02837	4.4
203.17926	26.5
204.18217	0.5
207.06473	2.8
207.92000	0.5
221.18967	85.4
222.19244	1.5
239.19994	2.2
261.03949	0.5
271.50848	0.8
273.07516	18.8
287.05692	0.6
288.05820	1.0
289.08981	0.7
291.08585	1.1
315.08508	1.1
325.11133	1.5
381.09750	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01858	2.7
55.05505	7.3
57.03432	6.4
57.07062	1.0
61.02919	6.5
67.05493	15.0
67.25972	1.1
67.76833	1.0
69.03065	1.6
69.03418	20.8
69.07057	7.2
69.53197	8.3
71.04979	4.4
73.02905	3.2
75.79856	0.9
78.24269	1.0
79.05479	12.0
81.03414	8.0
81.07052	38.5
83.04945	1.1
83.08594	3.5
85.02897	100.0
85.06531	2.0
86.03180	1.1
87.04424	2.1
89.03889	1.2
91.03956	5.2
91.05463	16.2
93.06464	1.6
93.07034	28.4
93.47006	1.1
95.04934	2.9
95.08596	42.5
97.02880	32.3
97.06532	1.8
97.10168	4.4
99.04465	5.7
103.03962	1.0
103.05507	1.2
105.03381	3.2
105.07021	42.6
106.07342	1.4
107.04932	2.0
107.08583	42.7
107.45126	1.0
109.02863	11.0
109.06516	2.6
109.10144	37.8
111.04396	1.7
111.08080	1.9
111.11704	1.4
115.03916	3.3
117.06992	2.1
119.04934	11.2
119.08566	32.9
120.05241	1.1
121.02886	1.3
121.06519	1.8
121.10137	17.1
123.04401	2.6
123.08026	2.4
123.11696	9.7
124.99978	1.0
125.09602	2.6
127.03908	28.5
131.08557	3.8
133.06555	1.2
133.10114	23.0
135.04347	3.3
135.11659	11.9
137.05946	2.4
137.09621	3.0
138.09947	1.5
139.03848	3.2
139.11156	2.0
145.02850	3.5
145.04942	37.3
145.10094	3.1
147.04398	51.2
147.11673	35.6
148.04718	3.6
149.05984	1.5
149.09520	1.2
149.13283	3.2
151.03833	1.7
151.11145	2.9
152.07909	1.2
153.01842	1.5
153.69328	1.2
159.11636	2.0
161.09593	1.3
161.13232	13.1
163.03909	13.5
163.05974	13.9
163.07237	1.8
163.14766	7.6
165.09120	1.8
167.07034	4.0
169.10146	1.3
171.11707	1.4
173.13174	1.3
175.03949	1.5
175.14841	6.5
177.05476	6.5
177.16411	1.8
184.07336	3.2
201.05450	3.7
201.16412	1.3
203.17937	75.5
207.06573	4.5
215.03355	1.8
217.05052	1.4
221.18941	9.3
241.05118	1.2
259.05969	1.2
261.07550	11.1
277.07016	4.6
279.08572	3.5
287.05273	6.8
288.05704	2.5
303.04919	4.4
311.23508	1.1
325.11215	1.6
329.21185	1.6
347.22150	1.8
365.23157	3.8
380.08255	1.8
383.24106	1.5
580.27252	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	580.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.01855	1.1
55.05492	1.3
57.03423	1.3
57.07061	0.4
61.02918	2.6
61.97285	0.4
67.05483	2.4
68.07088	0.4
69.03421	5.1
69.07056	3.5
70.48745	0.4
71.04972	9.3
73.02908	1.0
77.03894	0.5
79.05483	4.7
81.03409	2.7
81.07046	34.3
83.08590	0.8
85.02894	31.0
91.03938	1.9
91.05473	3.6
93.06544	0.4
93.07024	12.3
95.04947	0.9
95.08591	7.4
97.02878	8.1
97.06514	1.2
97.10171	0.5
99.04440	1.4
99.08083	1.6
103.05463	0.9
104.73248	0.4
105.07018	22.1
107.08575	14.2
109.02853	2.8
109.10138	15.1
111.11710	0.9
113.09625	0.9
117.06990	0.9
119.08563	52.8
121.10103	3.0
123.04401	0.6
123.11703	5.6
127.03891	9.1
127.11176	19.0
131.04919	1.8
133.10107	8.6
135.11671	30.1
145.04938	12.4
145.10110	0.8
147.04408	4.8
147.11667	10.2
149.13237	4.0
153.01831	0.7
161.13264	3.2
163.03894	0.7
163.05989	7.7
163.14854	0.9
165.01848	0.6
175.14804	1.2
177.05415	0.5
177.16360	0.9
179.76306	0.5
195.02873	0.5
203.17924	32.5
204.18297	0.7
221.18971	100.0
222.19287	1.4
223.86499	0.4
239.20038	6.0
289.09174	0.5
325.11133	1.0
588.86963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01852	1.1
55.05500	7.5
57.03410	2.2
57.07034	1.2
58.95657	0.8
60.35992	0.8
61.02906	3.7
62.14170	0.8
63.27404	0.8
67.05491	18.4
69.03416	8.0
69.07050	8.8
71.01348	1.0
71.04973	2.8
71.14533	1.9
72.30694	1.0
73.02917	1.3
77.03914	1.1
79.05475	13.5
81.03398	5.1
81.07036	39.5
83.04987	1.2
83.08610	3.6
85.02888	34.1
87.04459	1.7
91.03939	2.3
91.05460	15.3
91.05996	1.2
93.07024	30.0
93.07623	1.7
93.50766	0.9
95.04945	2.2
95.08587	54.0
97.02872	9.2
97.06499	1.2
97.10138	1.8
99.04436	2.6
105.06280	1.9
105.07009	50.2
107.08569	50.5
109.02845	5.0
109.06522	2.1
109.10127	39.6
111.04372	1.0
117.06988	1.8
119.04919	3.6
119.08559	33.6
121.02892	1.1
121.06539	1.2
121.10126	19.5
123.04433	1.3
123.08099	1.2
123.11684	10.8
125.09592	1.1
127.03893	11.3
127.11054	0.9
131.04948	1.0
131.08553	1.7
133.10101	23.6
133.11066	1.5
135.04358	0.9
135.08075	1.1
135.11670	10.7
137.09584	1.5
145.04930	14.0
145.10106	3.5
147.04388	16.4
147.11656	41.4
149.13214	3.0
151.11174	1.6
153.01797	2.8
153.12556	0.9
159.11662	1.5
161.13219	14.7
163.03876	1.1
163.06026	5.9
163.14775	9.8
165.12767	0.9
167.07033	1.2
171.02869	1.7
175.14787	6.8
177.05458	2.1
179.79300	0.9
187.14807	1.1
201.16446	1.3
203.17914	100.0
204.18355	1.4
205.19473	1.0
215.17856	1.0
221.18948	11.7
231.06627	1.0
273.07471	1.3
287.05444	1.5
288.05588	1.0
325.11203	1.5
347.21890	0.9
360.99817	1.0
387.53174	0.9
400.26730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25422	1.5
52.61070	1.4
53.03933	6.3
53.48142	1.3
55.01865	12.3
55.05503	30.9
56.47221	1.4
57.03427	18.6
57.07067	3.1
58.20651	1.5
59.04989	4.0
61.02923	10.5
65.03916	3.5
67.05495	83.0
69.03422	11.3
69.07058	54.9
69.38919	1.4
71.01340	3.9
71.04984	7.4
71.62417	1.9
71.62827	2.1
71.89252	1.5
73.02898	5.3
73.06536	2.2
76.14372	1.5
79.05482	48.0
81.03411	18.9
81.07046	82.4
82.46318	1.8
83.04965	12.0
83.08611	15.6
85.02892	12.7
85.06519	6.7
91.03946	5.6
91.04891	2.5
91.05464	51.8
91.30831	1.8
93.07031	52.0
95.04958	18.3
95.08593	50.1
97.02869	9.6
97.06513	21.7
97.10126	7.9
99.04411	3.0
99.08093	5.6
103.03976	2.5
103.05476	3.5
105.06372	3.0
105.07021	40.2
107.04944	11.0
107.08582	41.0
109.02863	2.2
109.06483	6.7
109.10139	46.7
111.04486	2.8
111.08087	8.7
113.05979	1.8
115.05421	2.0
117.06987	14.1
119.04922	6.7
119.08572	36.0
120.08958	1.6
121.06510	8.8
121.10115	18.9
123.04414	4.1
123.08060	11.7
123.11705	8.4
125.06040	1.7
125.09632	12.0
127.03919	7.4
128.06224	1.7
129.05469	5.4
129.06967	6.5
131.08542	18.4
133.10114	35.6
133.11057	2.6
135.04385	1.7
135.08061	8.4
135.11650	21.1
137.09570	7.5
137.13242	2.6
141.06978	2.6
141.09077	2.7
142.07751	2.9
143.08551	8.4
143.10713	1.8
145.06482	2.9
145.10101	21.9
147.04395	30.3
147.08022	3.0
147.11671	19.5
149.09596	13.7
149.13228	6.5
151.07501	2.1
151.11163	7.3
155.08540	4.4
155.10654	3.8
157.10139	11.4
159.11676	23.3
161.09628	4.4
161.13255	13.7
163.11157	12.9
163.14769	1.8
165.09062	3.4
165.12715	3.0
169.10101	4.8
169.12384	1.6
171.10136	10.9
171.11685	7.2
173.04350	1.5
173.11723	14.2
173.13260	10.5
175.11153	5.7
175.14735	2.5
177.12737	5.9
179.14282	6.7
181.12247	3.3
183.11667	6.4
185.13263	3.4
187.11223	3.2
187.13257	3.4
187.14798	3.7
189.12790	2.3
191.03281	1.9
193.12245	3.9
195.11674	1.9
195.13721	2.4
197.13280	7.0
199.13187	2.3
199.14871	2.7
201.12759	3.0
201.16373	4.2
203.17924	2.8
205.12144	2.5
209.13318	1.9
213.16350	2.5
219.17398	2.6
227.12755	2.9
229.12077	2.9
229.14282	35.2
229.19403	2.4
229.65955	1.7
239.17921	4.2
243.13701	2.3
243.15848	12.8
247.20421	4.2
253.17950	6.7
255.15842	11.3
257.19049	6.1
267.15912	3.3
269.17432	5.2
271.15433	4.5
273.18701	1.8
275.19998	32.5
287.05573	2.7
288.05783	2.0
291.19504	6.8
293.20905	2.4
301.16364	3.7
331.22610	2.2
343.22607	4.3
349.23700	100.0
365.23160	2.9
367.24796	10.9
383.24268	3.2
421.30856	3.6
449.30658	2.7
467.31363	3.3
485.32452	2.5
509.73315	1.8
580.35767	7.2
581.29065	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	580.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.3
55.01851	11.5
55.05500	30.3
57.03423	15.2
57.07061	4.2
59.04985	4.1
61.02903	10.3
64.38462	2.8
65.03897	4.7
67.05491	91.8
69.03409	14.5
69.07058	67.1
69.88508	11.5
71.01337	5.0
71.04979	12.7
73.02908	4.9
73.06556	2.8
75.04472	4.0
78.39005	2.5
79.05046	4.6
79.05475	59.8
81.03396	23.8
81.06567	5.2
81.07034	88.1
83.04972	20.8
83.08597	19.5
85.02896	16.4
85.06511	9.7
91.03925	7.0
91.04887	2.8
91.05460	58.3
93.07025	69.9
95.04943	22.6
95.08585	62.6
97.02870	11.5
97.06522	28.6
97.10143	10.9
99.04427	5.1
99.08044	3.6
103.03901	3.0
103.05446	2.8
105.07011	62.7
107.04930	14.5
107.08573	49.7
109.02848	6.5
109.06464	13.3
109.09444	5.0
109.10131	60.9
111.04404	6.3
111.08060	10.8
113.09576	3.8
117.07013	17.4
119.04865	3.4
119.08559	51.1
121.06448	11.6
121.10125	33.2
123.04387	6.1
123.08036	14.8
123.11664	19.1
125.09593	13.7
127.03855	16.9
129.06976	9.2
131.08551	31.3
133.06476	4.2
133.10101	51.1
135.08061	7.6
135.11664	26.5
137.09613	16.2
137.13217	3.4
139.03853	8.3
139.11134	3.4
141.06938	3.3
141.09157	3.7
142.07689	3.6
143.08531	19.9
145.04918	3.3
145.10109	35.1
147.04382	13.3
147.08014	4.2
147.11656	22.1
149.06078	2.7
149.09589	25.2
149.13217	8.2
151.11156	6.6
155.08528	10.0
155.10651	6.3
157.08575	9.9
157.10097	20.4
159.10387	4.8
159.11636	36.3
161.09541	4.3
161.12123	2.4
161.13213	16.4
162.13431	2.5
163.03885	5.0
163.11134	16.3
163.14822	4.4
165.05458	3.1
165.09067	4.6
169.10089	7.6
171.10130	14.8
171.11664	18.2
173.11703	18.3
173.13234	15.9
174.00183	2.5
175.11128	7.2
175.14783	6.5
177.12714	7.1
179.14256	6.6
181.10159	4.3
181.12190	3.3
181.48438	2.9
183.11652	7.2
185.13234	8.0
187.11156	4.8
187.13228	5.4
187.14813	10.5
189.11230	4.3
191.14287	3.5
193.12103	4.3
197.13264	7.0
199.11086	3.7
199.14822	6.4
201.12663	3.8
201.16318	4.2
203.14240	4.5
205.12117	3.9
207.11586	2.6
207.13866	3.8
211.14899	4.0
213.12822	4.1
213.16348	3.6
215.17847	2.5
217.15936	3.0
221.13306	3.0
229.14273	34.6
229.19403	5.3
231.13747	3.6
239.17821	6.2
243.15799	10.5
247.20576	6.0
253.17885	4.9
255.15854	7.5
257.18964	10.2
271.15402	9.8
273.18546	3.2
275.19965	44.1
285.17212	3.1
287.05377	3.3
288.05804	4.5
291.19461	4.3
293.21225	3.5
349.23663	100.0
355.26340	3.3
367.24762	17.6
373.27362	3.7
421.30685	7.3
439.31866	5.2
449.30362	8.5
467.31760	13.6
485.32462	5.9
580.32001	9.4
581.29187	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	579.1694
Annotation	Kaempferol-3,7-O-bis-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
50.57837	0.2
55.05455	0.2
57.03191	0.2
57.03424	2.5
67.07930	0.2
68.99794	0.4
69.61105	1.4
69.61447	0.3
71.04977	17.8
73.02872	0.3
75.04459	0.5
83.04940	0.5
85.02885	17.5
87.04457	0.3
96.65940	0.2
97.40623	0.2
98.20706	0.3
111.00761	0.4
111.04411	0.4
120.44770	0.2
121.02823	1.4
123.04422	0.3
127.03868	0.4
129.05449	5.0
133.02780	0.4
137.02306	0.3
147.04359	0.4
147.06474	0.9
153.01767	2.0
165.01820	1.1
167.07008	1.3
173.06018	0.4
181.04897	0.4
183.02852	0.5
213.05396	0.8
231.06479	0.6
241.04849	0.5
258.05240	0.7
259.05798	0.3
287.05432	100.0
288.05902	0.7
377.58850	0.2
414.06024	0.2
417.15469	0.3
417.97327	0.2
433.11230	12.7
442.79218	0.2
450.85294	0.2
579.20337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2063
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03923	0.4
54.56615	0.1
54.64259	0.1
55.01846	0.6
57.03419	0.4
61.02901	0.4
65.03926	0.7
66.77955	0.1
67.05472	0.5
69.03416	1.4
69.43059	1.5
71.04958	0.2
78.04691	1.7
79.05482	1.0
81.03393	0.6
82.04161	0.5
85.02415	0.2
85.02889	2.3
91.05467	0.7
93.03394	0.2
95.04970	0.8
96.05707	0.2
97.02882	0.8
97.06493	0.3
98.88406	0.1
103.05450	1.2
105.07009	0.3
106.04147	1.0
107.04920	0.9
109.02848	0.4
109.06520	0.2
110.03616	0.5
111.04412	0.3
115.05416	3.1
117.06997	6.1
119.08537	0.2
122.03622	0.3
123.04408	5.4
124.05178	2.1
125.05965	0.6
127.03936	0.8
127.05409	0.7
128.20050	0.1
129.06990	0.2
131.04906	0.3
133.06473	0.2
134.09756	0.1
135.04376	0.4
137.02382	0.2
137.05939	0.5
138.03076	0.4
139.03879	0.3
142.02588	0.6
143.04872	0.3
145.06458	9.5
147.04375	0.3
147.08005	0.4
149.02379	0.2
151.03873	1.2
152.04648	1.6
153.05421	0.4
155.04829	0.3
155.05997	2.5
155.07120	0.2
159.04337	0.2
161.05942	0.6
163.03889	0.4
165.05493	0.2
167.07007	100.0
168.04141	0.2
168.07336	1.0
171.06506	1.1
173.05951	20.9
174.06381	0.3
175.07501	0.7
181.04924	23.3
183.04373	0.1
187.03954	0.2
189.05492	0.2
191.07022	0.3
201.05464	0.6
205.08565	3.9
207.10136	0.2
221.08017	0.2
233.08046	5.1
233.10367	0.3
235.09612	4.2
247.06000	0.3
257.04266	0.2
271.06052	0.3
287.05478	0.6
288.05667	0.2
295.09814	0.2
355.11795	0.3
387.14304	15.2
388.14655	0.5
409.09015	0.3
417.15384	10.9
418.15613	0.3
538.06024	0.2
579.20612	62.9
580.20923	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	579.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07015	1.1
92.11501	0.7
92.79495	0.8
101.43805	0.7
105.76558	0.8
119.30587	0.7
193.29947	0.7
220.59886	1.0
261.85501	0.8
268.83276	0.8
339.98871	0.9
340.03149	0.9
363.15744	0.9
375.16061	1.3
377.17719	1.9
379.18985	1.2
390.18661	1.0
391.19308	2.1
392.15994	1.1
393.20642	2.5
403.19305	1.2
403.51312	0.8
404.20047	1.4
405.21021	1.5
406.17719	1.4
407.22534	1.9
417.20865	1.5
419.22696	1.4
421.19980	6.5
433.16098	1.8
434.17020	1.5
435.18027	5.1
436.22522	10.0
445.20135	1.3
447.22000	1.8
448.18683	1.8
449.19431	11.3
450.24039	1.6
461.19302	1.3
462.20569	1.5
463.21106	7.6
464.21970	1.9
474.23828	1.5
475.20953	11.5
477.22754	5.9
491.24188	3.2
492.21420	14.1
493.22272	1.1
503.24030	2.4
507.27429	2.5
517.25909	1.1
519.23932	2.6
522.22522	1.1
523.26880	10.7
533.25214	1.3
535.26569	2.0
547.26624	1.9
551.26379	19.9
572.63568	0.9
579.25812	100.0
580.26172	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1487
Annotation	Procyanidin B4
Peak:m/z	Relative Intensity
51.02385	0.6
55.01857	1.3
59.99209	0.5
64.35384	0.5
65.03913	0.8
65.60610	0.6
67.01830	0.5
67.05492	0.8
68.99780	3.5
69.68482	1.8
69.68917	2.1
81.03404	2.3
83.04994	0.8
89.03932	0.9
91.97762	0.5
95.04940	1.2
96.38596	0.5
98.20767	1.0
99.04436	1.1
99.49391	0.5
107.04912	2.8
109.02834	3.0
111.00769	2.0
111.04420	2.8
113.43938	0.6
117.03352	0.6
117.13372	0.5
119.04916	1.8
121.02831	1.7
123.03716	0.9
123.04400	42.8
127.03889	100.0
128.04260	0.9
131.04907	1.2
135.04385	28.5
136.04704	0.7
137.02338	2.8
137.05974	1.0
139.03873	53.6
140.04233	0.8
143.04861	0.7
144.40114	0.6
145.06476	0.8
145.52324	0.5
147.04382	6.5
149.02315	3.7
149.05971	1.4
151.03864	8.4
157.06432	0.9
159.04376	2.8
161.05908	3.6
163.03871	36.9
163.39508	0.5
165.05460	5.9
167.03371	6.4
167.07034	0.8
169.06419	1.3
173.05933	3.2
175.03795	3.4
175.07492	0.5
177.05472	2.3
179.03365	3.2
179.06938	0.9
181.04933	0.7
183.04417	0.9
185.05954	0.7
187.03825	5.0
189.05441	2.0
191.03352	9.1
193.04973	3.0
197.05956	2.4
201.05472	5.2
203.03372	7.4
203.06996	1.7
205.04951	2.7
207.06403	1.4
213.05498	1.1
215.03279	1.2
215.06972	2.8
217.04956	1.6
225.05443	0.9
229.04890	6.2
231.06499	1.6
233.04399	5.4
241.04970	1.6
243.06493	4.8
245.04388	6.0
247.05960	15.4
247.08405	1.1
251.05421	1.7
255.06522	1.4
257.04410	8.3
258.05225	1.0
259.05930	8.6
269.04382	2.5
271.05978	16.9
273.07550	1.5
275.05444	13.0
283.05930	5.4
287.05441	18.2
289.07013	20.3
291.08569	23.5
299.05496	3.3
301.07007	13.4
302.07208	0.7
303.08615	1.6
333.09659	0.7
384.32364	0.6
391.07965	0.7
409.09094	20.2
410.09659	0.6
411.10715	2.5
421.08884	1.1
421.83154	0.6
427.10199	8.8
435.10620	0.8
439.10583	0.7
453.11847	0.7
579.14587	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1487
Annotation	Procyanidin B3
Peak:m/z	Relative Intensity
53.03932	0.7
68.99781	3.9
69.56586	5.1
81.03399	2.2
91.05448	0.6
95.04930	1.0
97.02935	0.7
98.20805	1.1
99.04438	0.8
107.04950	3.0
109.02849	2.3
111.00790	2.4
111.04424	2.7
117.03355	1.0
119.04954	1.7
121.02823	1.4
123.04412	37.8
127.03897	100.0
129.07034	0.7
131.04898	1.8
132.78989	0.6
135.03368	1.4
135.04398	25.1
137.02324	2.9
139.03880	50.2
143.04832	0.6
145.06491	0.8
145.84196	0.6
147.04390	7.4
149.02313	3.2
149.05978	1.8
151.03871	6.3
159.04405	2.0
161.06046	2.8
163.03885	33.2
165.05447	6.5
167.03381	7.1
167.07014	1.1
169.06456	1.7
173.06013	3.2
175.03842	2.9
177.05455	3.5
179.03389	1.5
181.04890	1.2
185.05988	0.8
187.03821	5.3
187.07526	1.0
189.05434	1.9
191.03375	9.4
191.77380	0.7
193.04941	3.5
197.05948	2.7
201.05444	5.3
203.03383	8.1
203.06979	2.0
205.04877	3.4
207.06557	1.2
213.05423	1.5
215.03456	1.5
215.07007	2.6
217.04962	1.4
219.06567	0.8
229.04939	6.7
231.06604	1.3
233.04417	5.7
241.04880	1.4
243.06439	3.9
245.04413	6.0
247.05994	17.1
251.05540	1.8
253.05110	1.3
255.06451	1.0
257.04422	8.8
259.06003	8.9
269.04465	1.7
271.05966	19.6
273.07608	0.8
275.05453	15.4
283.05917	5.3
287.05466	19.6
289.03802	0.9
289.07019	16.9
291.08582	17.9
291.11566	1.2
299.05466	4.7
301.07016	13.9
303.08545	1.7
363.06906	0.7
409.09131	21.6
411.10703	4.1
421.09232	1.5
427.10205	9.0
453.11520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.4
55.01858	2.9
55.05503	16.9
56.85008	1.6
57.03426	10.0
57.07063	2.3
65.03906	1.8
67.05492	44.5
69.07056	14.0
69.37885	11.0
69.38307	5.0
71.04965	3.0
75.55962	1.6
79.05482	34.9
80.85312	1.7
81.03397	3.5
81.06569	2.8
81.07043	48.6
83.04961	3.4
83.08604	10.5
91.05474	14.8
93.07030	52.4
95.04953	8.0
95.08591	58.2
97.02865	3.1
97.06499	3.7
97.10130	2.3
97.22616	1.8
98.21485	2.0
99.04447	5.7
105.06999	11.7
107.04949	7.5
107.08572	35.6
109.06467	2.9
109.10126	11.4
117.06991	11.5
119.08578	15.0
121.06481	5.6
121.10136	19.1
123.08019	2.1
123.11707	2.0
125.05962	4.0
131.08492	4.6
133.10103	5.5
135.08054	2.2
135.11665	51.9
145.10100	26.2
147.11592	2.7
149.13228	3.6
159.11670	3.1
161.13229	2.2
163.11159	57.7
180.00633	1.7
181.12198	10.4
209.11768	1.9
227.12740	87.1
230.54741	1.4
246.09726	1.4
261.22141	4.2
275.23657	1.7
283.15341	73.9
335.25735	100.0
336.25967	4.6
398.99203	1.7
505.40543	1.7
543.36713	74.2
544.37030	4.6
586.71454	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.4
53.98413	1.8
55.01862	3.6
55.05505	20.5
55.37739	1.5
57.03406	2.3
57.07060	7.0
59.04979	3.1
65.03925	2.8
67.05495	68.2
69.03411	7.7
69.07061	21.9
69.50078	6.4
69.50513	8.2
71.04982	5.5
73.06543	1.8
79.05055	2.3
79.05481	35.3
80.05808	3.0
81.03407	22.1
81.07045	59.1
82.07368	2.4
83.04981	11.2
83.08602	12.7
85.02877	4.5
85.06528	4.7
91.05466	28.8
92.05775	2.0
93.06462	2.6
93.07031	45.9
95.04948	11.0
95.08595	49.1
96.08875	2.3
97.02892	4.1
97.06503	8.1
97.10149	5.9
99.08056	7.4
101.05991	2.1
105.06371	3.5
105.07016	41.7
107.04939	2.3
107.08581	37.8
109.02864	4.2
109.06505	4.3
109.10139	100.0
111.04450	5.2
111.08065	5.8
113.09657	1.8
115.05434	2.3
117.06999	12.0
119.08572	32.5
121.06487	4.0
121.10126	26.7
123.08080	4.3
123.11665	17.3
125.09597	4.7
127.03873	3.3
127.11155	3.0
128.06197	2.7
129.06972	13.0
131.08549	21.6
133.06306	2.2
133.10106	30.9
135.08098	2.6
135.11682	18.2
137.09601	4.4
137.13219	5.0
141.06908	4.0
142.07741	4.0
143.08549	21.0
144.09143	2.1
145.10092	24.9
147.08104	3.3
147.11658	31.9
149.09595	5.1
149.13231	11.5
155.08534	14.3
156.09222	2.4
157.10130	22.6
158.10814	2.2
159.11678	24.5
161.09602	4.1
161.13258	22.0
163.11119	3.8
163.14786	8.3
166.07790	2.5
167.08566	3.9
168.09283	3.1
169.10118	15.6
171.11647	23.5
173.09598	3.3
173.13199	14.1
175.11168	3.2
175.14789	7.6
177.09087	2.2
177.12781	2.3
177.16371	6.2
181.10085	7.1
182.10844	2.6
183.11673	13.1
185.13219	10.2
187.11147	2.7
187.14793	8.0
187.80798	1.9
189.11208	2.0
189.12717	5.6
189.16379	3.4
193.10196	2.5
195.11635	9.5
197.09789	1.6
197.13254	7.0
199.11214	1.9
199.14755	8.5
201.09077	3.6
201.12668	2.7
201.16357	8.2
203.10709	3.4
203.14317	3.3
203.17972	4.6
207.11861	4.0
207.13760	8.6
209.13246	6.3
211.14798	7.4
213.12779	1.7
213.16330	4.4
215.10652	4.2
215.17949	3.3
217.12245	5.6
217.19450	7.0
221.13339	2.4
223.14738	6.6
225.16391	5.3
227.17987	2.5
229.12212	2.9
229.16029	2.5
229.19473	2.8
231.13780	4.5
231.20979	2.5
235.14940	2.2
237.16425	3.5
239.17888	2.4
241.19676	1.9
243.13739	3.0
243.20969	3.4
245.15283	2.6
249.16438	3.3
251.17755	3.4
253.12146	3.0
257.15308	5.5
257.22845	2.1
261.22040	2.4
263.17889	2.5
267.13617	2.2
269.15353	4.3
273.14731	3.2
277.19058	2.2
279.21124	5.2
281.22498	3.2
287.05478	5.3
287.16269	5.6
297.18719	2.1
297.22083	4.2
299.14941	4.8
309.18396	2.0
323.19708	3.1
325.21466	8.7
341.21219	3.0
343.19156	2.5
343.22659	22.7
345.24445	2.2
351.23050	3.6
355.17612	4.5
355.22308	2.7
363.23050	2.5
369.24100	7.1
377.24323	3.2
381.23993	2.4
387.30392	4.1
389.31985	3.3
391.52185	1.8
395.25403	3.4
399.59958	1.7
405.31485	5.3
415.29749	2.8
419.32944	2.0
423.32651	3.0
433.31024	31.5
435.27310	5.5
437.34015	7.5
447.32520	3.0
451.32016	59.4
452.32242	2.6
465.33493	6.4
483.34421	5.9
501.35873	2.5
504.06509	2.0
560.35938	4.4
578.38373	5.4
579.31482	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
54.33766	1.8
55.01881	2.4
55.05502	19.9
56.54764	2.3
57.03419	4.1
57.07063	7.6
59.04999	4.2
62.85183	2.0
65.03923	4.1
67.05499	58.7
67.05865	2.8
69.03413	4.9
69.07059	21.7
70.63944	5.1
70.64324	3.8
71.04978	8.1
79.05482	33.1
79.05903	3.2
81.03422	15.1
81.07043	50.7
83.04973	7.9
83.08206	2.1
83.08612	13.5
85.02879	2.5
85.06529	4.0
87.04445	2.2
88.95028	2.0
91.05462	25.9
93.07034	41.3
95.04966	11.0
95.08594	48.7
95.48776	2.2
97.02889	3.0
97.06522	9.4
97.10156	8.3
99.08097	5.1
104.20186	1.8
105.07018	43.2
107.04937	2.9
107.08583	33.7
109.06541	5.2
109.10144	100.0
111.04396	3.2
111.08085	6.2
117.07006	7.1
119.08557	33.1
121.06486	3.5
121.10132	28.0
123.08047	4.1
123.11676	21.3
125.09611	5.5
127.03905	4.1
128.06256	4.5
129.06984	12.5
131.08556	25.9
133.10098	31.2
135.11674	20.8
137.09602	2.7
137.13210	4.7
139.11168	3.4
141.06966	3.5
142.07736	4.5
143.08536	21.3
144.09448	2.0
145.10106	25.1
147.08081	2.9
147.11673	29.7
149.09610	2.7
149.13287	12.2
151.11128	2.4
151.14854	2.1
155.08546	12.9
156.09315	3.8
157.10115	24.4
159.11687	24.7
161.09615	2.2
161.13249	22.4
163.14845	7.2
165.06960	2.5
168.09315	3.2
169.10098	13.4
171.11656	19.0
173.09575	4.1
173.11862	4.2
173.13271	16.2
175.11203	4.0
175.14819	5.0
177.16408	6.4
179.08553	2.0
181.10139	6.1
183.11653	11.7
185.13214	13.2
187.11165	3.0
187.14812	7.3
189.12801	5.4
189.16441	6.1
195.11693	10.1
196.12431	2.7
197.13261	7.5
199.14859	5.3
201.16331	4.4
203.10654	3.5
203.17990	3.5
207.11794	4.7
207.13889	5.8
208.12280	2.3
209.13277	7.9
211.14902	6.6
213.12868	2.4
213.16377	6.0
215.10706	5.6
215.18027	3.7
217.12219	5.7
217.19540	8.7
221.13399	2.9
223.14804	5.9
225.16409	4.7
227.10521	2.5
229.12221	3.3
231.13864	6.5
231.21262	2.3
235.14851	2.8
237.16338	2.8
243.13799	3.8
243.21109	4.0
249.16603	3.2
251.17940	4.4
253.12280	2.4
255.13763	3.2
257.15375	4.5
261.22116	4.4
269.15314	5.4
273.14841	3.4
275.16437	3.3
277.19394	2.7
279.21066	6.0
281.22437	4.7
283.16898	4.2
287.05505	3.9
287.16397	5.3
297.18640	2.1
297.22211	4.0
307.24203	2.4
325.21686	10.1
333.25568	2.5
343.22681	24.0
351.23093	4.0
353.26694	3.0
355.17392	3.9
369.24078	8.3
377.24814	5.0
387.30338	5.7
395.25687	5.0
405.31516	4.6
411.04913	2.3
433.31009	33.7
437.34232	5.4
451.32025	59.2
465.33469	3.0
469.33002	2.2
483.34579	5.3
560.36462	4.2
578.37372	2.8
579.31671	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	578.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01857	4.5
55.05500	19.4
57.03423	3.5
57.07061	4.6
59.04993	3.6
63.01756	2.1
65.03935	3.0
67.05496	43.6
69.03410	4.3
69.07065	17.5
69.40204	10.7
69.40640	9.9
71.04988	3.6
73.06568	1.9
79.05486	31.6
81.03391	10.9
81.06569	3.5
81.07043	68.8
83.04971	5.9
83.08602	10.1
84.08111	2.2
85.02883	4.0
85.06533	5.4
87.04422	2.7
91.05460	40.4
92.05781	2.4
93.07030	62.4
95.04973	15.3
95.08591	82.5
97.06501	9.3
97.10161	4.7
99.04417	2.6
99.08028	2.4
103.05434	3.3
105.07014	84.2
107.04955	2.8
107.08571	56.1
109.02886	3.2
109.06489	16.1
109.09440	3.7
109.10140	46.5
111.04403	5.0
111.08055	8.1
113.05992	2.9
115.05398	5.4
117.06991	22.5
119.04887	2.4
119.08561	65.9
121.06492	9.0
121.10114	42.8
123.04391	5.5
123.08054	8.9
123.11695	12.5
125.05991	3.9
125.09583	6.6
127.03877	11.4
128.06175	6.4
129.06972	22.3
130.07745	3.6
131.08553	65.9
133.06453	3.5
133.10114	58.2
134.33673	2.1
135.04420	2.3
135.08055	5.9
135.11658	23.3
137.05908	4.3
137.09579	4.0
137.13231	3.9
139.03903	3.7
139.07498	8.5
141.05547	2.6
141.06972	7.6
141.09065	4.3
142.07758	12.8
143.08542	44.1
144.09296	4.2
145.06371	2.8
145.10103	87.8
146.66196	2.3
147.08032	8.4
147.11676	48.6
149.05959	4.9
149.09538	11.7
149.13225	15.2
151.07510	4.4
151.11154	4.2
153.09131	2.7
155.07005	20.6
155.08513	21.3
156.09296	7.7
157.08768	3.8
157.10109	62.7
158.10779	3.3
159.08055	4.2
159.10428	4.5
159.11678	68.2
161.09586	8.4
161.13228	41.4
163.03793	2.8
163.07512	3.1
163.11137	8.9
163.14790	6.3
165.09067	3.0
165.12709	2.4
167.08508	3.2
169.10094	24.2
170.10765	3.6
171.11667	47.3
173.09644	10.5
173.11745	3.9
173.13211	33.9
175.11143	8.8
175.14816	18.3
177.09088	5.8
177.12784	5.2
177.16254	2.6
179.08572	3.5
179.10570	2.3
179.14223	2.9
181.10060	8.0
182.10857	2.9
183.11641	23.1
185.09680	4.8
185.13248	43.4
187.11140	11.5
187.14787	44.0
189.12709	9.9
189.16380	11.8
191.10580	6.8
193.10159	2.8
193.12274	6.9
194.10867	3.0
195.11687	11.2
196.12265	2.3
197.13258	16.3
199.11081	7.1
199.14819	32.6
201.12761	11.8
201.16389	17.0
203.10664	4.1
203.14284	12.4
203.17877	3.3
205.12071	4.7
205.15819	7.8
207.11731	4.5
207.13789	5.4
209.11502	3.1
209.13260	9.1
211.13094	4.1
211.14806	10.0
213.12817	11.5
213.16408	12.6
215.14281	12.3
215.17953	3.7
217.10410	2.5
217.12164	11.5
217.15804	13.9
219.13797	12.3
219.17453	2.5
221.15338	4.1
223.14796	8.6
225.12859	3.1
225.16333	7.0
227.14272	7.3
227.17839	4.4
229.12231	4.1
229.16005	4.2
231.13792	25.6
233.15344	22.7
235.16862	5.2
239.17924	5.5
241.15921	5.4
243.13680	5.3
243.17580	2.8
245.15466	13.8
247.16928	7.2
249.14656	3.2
251.18137	3.7
253.19409	4.0
257.19168	2.8
259.17038	5.0
261.18491	4.0
263.16312	3.6
273.18491	4.6
275.20236	4.2
279.20972	5.4
281.19119	2.9
281.22443	4.2
287.05646	11.4
288.05554	2.6
297.22000	2.8
325.21478	6.2
325.24982	2.8
327.23254	3.0
343.22586	4.8
353.24799	4.7
367.26096	3.4
373.28687	6.1
383.26984	4.4
385.27335	3.4
391.25821	5.0
391.29916	7.8
393.31583	8.0
401.28314	14.5
409.26889	3.4
419.29388	77.1
421.30905	7.7
429.27753	13.8
437.30490	100.0
439.31976	6.3
446.29327	2.3
447.28967	43.1
455.31473	21.8
465.29999	62.6
466.29779	2.8
483.31073	42.6
484.31018	2.7
501.31900	6.8
560.10931	2.3
560.35590	3.7
578.37372	12.7
579.31366	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	578.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01865	18.2
55.05291	2.5
55.05508	27.4
57.03428	21.1
59.04979	4.3
65.03922	2.3
67.05154	3.7
67.05495	42.2
69.03416	8.5
69.07056	15.9
71.01336	2.2
71.04978	6.6
71.62704	3.4
71.90385	2.1
71.90823	2.1
73.02905	3.4
75.04380	2.6
79.05476	39.4
80.75419	2.0
81.03404	100.0
81.07044	44.7
82.04167	3.7
83.04966	21.1
83.08615	27.7
84.08931	3.1
85.02885	7.8
85.06531	5.6
91.05467	37.8
93.07030	35.5
95.04958	39.1
95.08585	23.9
97.02876	6.5
97.06523	11.3
97.10149	15.0
98.07294	4.9
99.04424	3.8
99.82580	2.2
105.07008	28.5
106.07357	2.4
107.04955	14.3
107.08570	21.4
109.06516	10.3
109.10143	24.1
110.10515	3.0
111.04430	10.3
111.08053	14.6
115.05403	3.1
116.04684	8.2
117.07004	9.7
117.34314	2.2
119.04923	2.6
119.08568	27.9
120.08069	2.2
120.08888	3.6
121.02888	3.0
121.06497	6.8
121.10109	18.1
123.04384	4.4
123.08040	4.9
125.09611	17.4
127.03888	5.0
129.05469	24.2
129.06946	14.8
131.08559	19.3
133.06439	5.5
133.10123	17.2
135.04382	4.9
135.08058	6.5
135.11662	14.1
137.06010	2.2
137.09613	7.0
139.03896	3.4
141.06880	2.2
142.07729	2.4
143.07040	5.6
143.08492	5.0
145.06532	3.6
145.10103	12.0
146.10446	3.4
147.04356	3.1
147.08029	8.0
147.11641	14.4
149.09624	10.2
149.13290	2.7
151.11111	2.3
153.12729	19.2
155.08517	2.8
157.08591	9.9
157.10088	19.3
159.11699	6.7
161.09528	2.9
161.13182	3.8
163.11188	16.9
165.12733	3.4
169.10146	5.4
171.10213	4.5
171.11606	5.1
173.09697	4.0
173.11731	5.9
173.13243	4.2
175.11174	14.8
179.10587	2.4
181.12166	13.5
183.11699	7.0
185.11729	2.6
185.13242	5.4
189.11180	13.0
191.10638	9.6
193.12216	30.9
197.13321	3.4
199.13239	4.6
209.11699	6.5
211.13243	8.1
219.13820	5.3
227.12741	31.8
229.12260	3.7
229.14218	11.2
247.13142	16.3
249.14816	2.7
255.15970	3.5
267.15878	83.8
275.20001	5.0
276.20355	5.3
283.15213	11.7
285.16870	3.0
287.05411	13.4
301.16400	50.9
321.16913	6.1
350.23920	4.6
411.24570	2.8
421.25568	2.8
437.30209	2.6
465.30319	3.4
466.87982	2.3
475.26819	8.8
476.27646	3.2
483.30795	4.0
493.27939	37.1
542.35059	4.0
560.36456	8.9
578.37006	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	578.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	17.6
57.03410	5.9
57.07056	6.2
62.69254	3.3
63.21391	2.9
65.03900	5.0
67.05492	46.6
69.03410	4.6
69.07063	17.6
71.04987	5.3
79.05482	34.4
81.03382	9.5
81.07040	73.2
83.04960	12.3
83.08588	12.7
85.02888	4.5
85.06517	8.5
91.05461	37.4
93.07027	59.2
94.07351	3.9
95.04956	17.3
95.08589	80.8
96.08946	3.8
97.06504	14.3
97.10168	4.5
98.20688	6.0
99.08073	7.1
101.05994	14.0
105.07014	100.0
106.07352	3.9
107.04958	4.9
107.07876	3.5
107.08578	58.8
108.08879	3.0
109.06517	10.4
109.10135	39.0
111.08054	14.2
113.09631	8.1
115.05374	4.2
115.07516	5.0
117.06986	22.5
119.08559	57.5
121.06484	7.6
121.10133	44.6
123.04404	6.9
123.08043	6.3
123.11684	16.4
125.09612	6.5
127.03855	5.1
127.07510	3.1
128.06244	5.8
129.05515	4.3
129.07018	17.7
129.09062	6.0
130.07765	5.8
131.08549	57.1
132.09315	3.2
133.10114	66.2
135.08023	6.7
135.11670	25.1
137.09552	3.9
137.13268	4.2
139.03862	7.4
139.07527	5.7
141.07002	6.9
142.07744	11.4
143.08545	49.1
145.09021	5.9
145.10097	73.8
147.08023	10.1
147.11659	47.0
149.09575	9.5
149.13222	16.7
155.08540	21.3
156.09297	6.2
157.08731	5.9
157.10095	59.6
158.10840	3.4
159.08090	6.4
159.11674	58.7
161.09561	8.0
161.13226	46.0
163.11189	9.5
163.14772	10.1
165.09108	5.9
165.12738	3.1
167.08476	4.5
169.10115	22.2
170.10847	5.0
171.11682	43.9
173.09537	7.9
173.13252	26.7
175.11203	10.6
175.14766	11.6
177.12692	6.6
177.16388	5.1
179.08530	3.4
179.14278	5.3
181.10074	7.7
183.11678	23.8
185.13220	42.6
187.11183	11.2
187.14804	34.7
189.12788	6.7
189.16397	7.4
191.10606	7.8
191.14264	5.5
195.11670	7.4
197.13255	21.8
199.11128	5.1
199.14766	26.5
201.12695	8.0
201.16354	10.8
203.10638	6.9
203.14232	8.3
205.12187	6.8
205.15845	4.9
209.13228	10.5
211.11255	4.4
211.14804	8.9
213.12677	9.5
213.16357	11.1
215.14233	10.0
215.17940	4.0
217.12144	8.4
217.15730	7.8
219.13702	4.2
221.13235	4.3
223.14868	5.9
225.16345	5.7
227.14366	4.4
229.12204	4.5
231.13795	21.2
231.17464	4.0
233.15349	13.4
239.17888	4.5
241.19507	4.1
243.13748	4.5
245.15311	8.8
251.18134	5.9
255.03925	3.2
263.16312	8.1
267.15869	5.0
277.17935	5.5
279.21011	10.1
281.22562	3.4
287.05518	17.0
325.21661	17.5
335.23563	3.2
343.22531	10.6
353.24719	9.0
369.24130	4.3
391.29797	10.3
395.29520	4.2
401.28333	7.5
409.30777	10.9
419.29520	27.5
421.30786	7.4
429.27570	4.2
435.27368	4.0
437.30515	61.9
439.32028	4.7
447.28864	10.8
455.31656	34.9
461.29028	24.4
465.29773	29.7
480.29868	3.2
483.31088	30.7
487.62906	3.4
501.31885	17.5
560.36725	9.2
578.37189	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	578.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01861	2.4
55.05502	5.8
57.03428	3.1
57.07064	0.9
59.04995	1.5
61.02916	2.9
66.53996	0.7
67.05492	17.2
69.03419	8.7
69.07056	11.0
70.06613	0.7
71.04983	5.4
71.62304	0.9
73.02908	1.8
79.05480	21.9
81.03407	4.3
81.07042	100.0
82.07381	0.7
83.04982	3.6
83.08634	3.1
85.02890	33.4
85.06519	4.4
86.09665	0.8
87.04447	1.3
91.05456	14.4
93.07029	31.9
94.07397	0.9
95.04952	5.9
95.08591	27.2
97.02876	8.7
97.06505	6.9
97.10133	1.7
99.04439	2.1
99.08039	0.8
103.05405	0.9
105.07016	31.8
107.04935	1.2
107.08578	32.6
109.02878	3.3
109.06500	6.8
109.10139	27.3
110.38055	0.6
111.04414	0.8
111.08061	8.8
115.03902	0.9
115.05388	0.8
117.06991	4.6
119.04914	0.8
119.08559	25.8
120.08903	0.8
121.02825	1.0
121.06510	2.3
121.10117	24.7
123.04463	3.5
123.08028	9.9
123.11665	4.5
123.41985	0.8
125.09616	3.9
127.03902	13.1
127.07537	1.9
129.06966	1.9
130.07776	3.0
131.04965	0.8
131.08539	12.4
133.10112	27.7
135.04324	1.4
135.08060	4.4
135.11662	9.2
137.09584	7.1
139.03893	2.8
139.11093	1.1
143.08549	1.7
143.10683	0.7
144.09311	2.1
145.02917	0.8
145.04932	10.4
145.10094	34.1
146.10783	0.8
147.04393	4.6
147.08073	0.8
147.11658	8.2
149.09599	5.1
149.13260	4.9
151.03839	1.1
151.11171	9.8
157.10135	2.2
158.10760	0.8
159.11670	26.2
161.09631	0.9
161.13216	11.4
162.17432	0.8
163.03889	1.6
163.06000	4.2
163.11148	22.1
163.14757	1.0
165.12767	3.5
167.07011	1.3
171.11688	0.7
172.12465	1.0
173.13231	7.8
175.14761	6.2
177.05453	2.2
177.12689	4.0
177.16370	2.0
186.13899	1.1
187.11057	0.8
191.03354	0.8
191.14371	0.8
191.17914	2.2
201.16353	48.6
202.46355	0.7
207.06509	0.7
219.17404	91.8
220.17699	0.8
237.18456	2.1
247.05852	0.9
271.06015	0.8
275.05502	0.6
287.05429	6.0
288.05792	2.5
329.76151	0.7
363.05316	0.7
363.21628	1.1
381.22516	1.9
399.23593	1.1
409.08911	1.4
433.10983	1.0
578.28510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66319	2.0
53.03929	4.8
54.62055	1.9
55.01859	5.6
55.05504	36.5
57.03431	17.6
57.07066	4.7
59.05010	3.0
65.03915	4.5
65.82488	1.9
67.05494	92.1
69.03410	4.7
69.07055	30.9
69.54774	7.6
69.55202	9.9
71.04981	15.5
79.05483	58.9
81.03404	24.5
81.07042	100.0
83.04977	6.9
83.08608	25.6
85.06525	7.8
90.85741	2.2
91.04898	3.1
91.05466	55.5
91.05998	3.8
93.07028	66.7
95.04961	20.8
95.08595	72.6
97.06516	12.8
97.10154	25.0
99.04450	2.6
99.08080	4.2
105.07016	58.9
106.54836	2.0
107.04948	6.9
107.08580	44.6
109.06509	8.4
109.10137	34.2
111.04467	2.1
111.08086	6.4
111.11721	3.1
113.09626	2.5
115.93251	2.1
117.07016	16.7
119.08562	47.3
119.20361	2.0
121.06507	5.9
121.10123	34.5
123.08030	5.9
123.11704	12.6
125.09603	15.2
128.06190	2.4
129.06985	12.6
131.08556	35.7
133.10110	34.9
135.08043	7.8
135.11665	17.9
137.09610	3.3
137.13283	3.7
139.11200	3.8
141.06953	4.8
141.60892	2.1
142.07838	3.7
143.08528	13.0
145.06456	2.5
145.10089	34.4
147.08040	5.1
147.11674	25.3
149.09607	8.2
149.13226	9.5
151.11142	5.1
155.08556	8.7
157.10077	20.4
159.08086	2.4
159.11662	23.9
161.09615	2.6
161.13232	15.4
163.11183	5.0
163.14812	4.9
165.12698	3.7
167.08539	3.1
169.10112	8.5
171.10310	3.0
171.11594	13.3
173.11838	2.9
173.13229	14.0
175.11154	4.8
175.14786	7.4
177.12747	2.7
181.10081	3.4
183.11708	8.3
185.13252	9.7
187.14781	6.6
189.11226	11.6
189.12732	3.0
193.12259	8.3
195.11728	4.5
195.13721	3.1
197.13260	6.5
197.15245	2.2
199.13225	2.9
199.14839	8.3
201.16376	4.4
209.13203	5.1
213.16443	3.1
225.16498	2.8
227.12781	20.1
239.16388	2.9
243.21037	3.2
261.22159	8.8
263.20090	2.5
267.15878	29.8
269.17346	4.2
271.20715	2.8
275.19998	3.3
285.22168	4.9
287.20197	3.0
287.23621	5.3
289.21704	4.1
291.19476	4.0
301.20322	2.3
301.21957	1.9
301.24982	10.5
303.23062	3.1
305.24762	2.2
311.23410	2.9
315.23050	2.7
333.24310	3.3
335.25830	21.2
359.25888	3.5
361.27689	3.2
363.25189	4.5
417.31171	5.8
435.27393	3.9
435.32483	19.2
453.33511	24.0
471.34729	6.7
475.30850	2.4
497.97125	2.3
501.35733	2.6
509.36035	10.1
521.50208	2.1
527.37238	78.2
528.38220	3.7
545.38263	75.6
559.39978	17.3
577.41132	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	577.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	5.5
55.01855	6.6
55.05253	3.4
55.05499	40.5
56.54718	1.8
57.03425	12.2
57.07059	3.0
65.03931	4.7
67.05489	82.7
69.07053	26.8
71.04984	16.0
71.08617	2.1
71.63142	3.5
73.06533	2.4
79.05475	58.2
80.05814	2.1
81.03400	25.3
81.07036	100.0
82.07372	2.7
83.04964	10.0
83.08603	17.8
83.44882	2.1
83.86067	1.8
84.08141	4.9
85.06527	10.6
91.04884	3.8
91.05450	49.7
92.05737	2.9
93.07023	71.9
95.04952	17.7
95.08591	55.4
97.06511	12.8
97.10139	19.0
99.04446	2.0
99.08076	3.7
102.78145	1.9
105.07003	51.4
107.04935	5.9
107.08574	40.0
109.06494	7.8
109.10133	33.1
111.04377	2.5
111.08057	7.1
115.05419	4.0
117.06992	20.5
119.08561	45.8
121.06477	6.4
121.09299	3.2
121.10115	29.5
123.04340	3.0
123.08039	6.8
123.11665	13.0
125.09611	14.5
125.10400	2.1
129.06952	14.1
130.08646	2.1
131.08549	36.0
133.06477	2.1
133.10106	30.2
135.08031	6.9
135.11661	19.5
137.05984	2.1
137.09602	5.0
137.13255	4.0
141.07004	3.6
143.08531	14.5
145.06412	2.6
145.10091	24.4
147.07990	4.5
147.11633	23.4
149.09586	8.1
149.13196	11.0
151.11157	3.3
153.09126	2.6
153.12637	2.3
155.08511	7.5
157.10100	14.6
159.11653	18.2
161.09576	4.3
161.13217	12.4
163.11139	5.9
165.12686	2.8
167.10619	2.7
169.10098	8.2
171.11688	11.1
173.11845	2.9
173.13213	11.4
175.11111	7.4
175.14767	6.0
179.08424	2.5
179.10504	2.6
181.10080	4.7
181.11946	2.3
183.11650	7.6
185.13239	9.9
187.13268	2.6
187.14784	7.1
189.11192	10.9
189.12689	3.5
193.12181	10.1
195.11710	2.6
195.13651	3.4
197.13252	6.2
199.14822	5.6
201.16420	3.4
209.13266	3.1
211.13100	2.9
211.14899	5.0
213.16385	2.5
225.16362	2.5
227.12674	12.2
227.18077	2.8
239.16269	2.8
241.19518	2.8
243.21123	3.9
259.20532	6.0
261.22070	8.8
267.15872	26.0
269.17322	3.5
275.19946	3.9
285.22040	3.9
287.05383	6.6
289.21548	4.3
291.19397	4.7
293.21085	6.5
299.14822	2.7
299.23596	2.9
301.25195	7.9
303.23218	4.2
317.24698	3.7
333.24081	3.9
335.25784	20.6
357.27716	2.5
363.25375	4.3
365.23105	2.8
417.26077	2.4
417.31427	5.1
435.27267	3.8
435.32413	15.5
453.33746	15.1
471.34402	8.0
491.34641	2.9
501.35669	2.4
509.35876	6.8
519.36792	2.6
527.37189	71.5
528.37390	3.7
541.35327	3.5
541.43298	4.2
545.38226	63.6
559.35968	15.5
577.39111	19.6
587.15814	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	577.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97880	1.8
52.03097	1.7
53.03935	7.7
55.01861	17.0
55.05504	55.1
57.03432	20.9
57.07063	7.4
59.04993	5.2
65.03932	6.1
66.04693	2.4
67.05494	100.0
69.03418	5.6
69.06719	2.3
69.07059	32.2
69.68060	13.0
71.04975	12.1
71.08625	3.9
77.03912	2.2
79.05480	64.0
81.03405	31.1
81.06569	4.9
81.07045	88.6
82.07380	3.9
83.04955	15.0
83.08610	31.5
85.02898	8.8
85.06544	8.9
87.04456	3.4
91.05467	80.3
93.07030	66.5
93.19064	1.9
95.04951	33.4
95.08591	54.9
97.02872	2.7
97.06527	19.9
97.10150	24.4
98.21459	4.3
99.04455	2.2
99.08069	3.8
105.07013	73.9
107.04943	18.3
107.08584	43.9
109.06493	10.8
109.09013	2.7
109.10138	45.3
111.04449	4.7
111.08029	11.5
113.06059	2.8
115.05459	7.1
117.06998	32.3
119.04945	2.6
119.08567	46.6
121.06511	9.3
121.10125	28.6
123.04407	3.8
123.08064	9.2
123.11729	5.9
125.09619	22.2
127.03876	3.2
128.06210	6.1
129.05498	5.8
129.06981	25.4
130.07785	3.3
131.04924	2.8
131.07587	2.5
131.08545	39.8
132.08899	2.3
133.06496	6.9
133.10114	34.0
135.04419	3.7
135.08076	8.7
135.11690	12.5
137.09590	10.5
139.03815	2.3
139.11168	2.4
141.06972	5.6
142.07854	3.8
143.07538	2.5
143.08527	18.1
145.06516	6.6
145.10086	30.4
147.08069	7.6
147.11685	25.1
149.09566	15.4
149.13268	6.8
151.11180	4.2
154.24167	2.0
155.08519	11.7
155.10692	2.0
156.09241	2.7
157.10081	24.6
157.11082	2.0
159.08084	3.6
159.10408	3.1
159.11653	20.9
161.09612	3.9
161.13251	8.4
163.03842	2.0
163.11185	9.3
165.12744	2.8
167.08525	4.7
167.10660	2.7
169.10124	7.3
171.08076	2.3
171.11649	17.0
173.09705	4.7
173.11720	9.2
173.13307	12.1
175.11218	8.7
175.14873	4.2
177.12723	4.2
181.10031	5.0
183.11682	9.9
185.09567	2.7
185.13280	9.1
187.11206	6.0
187.13277	2.2
187.14832	6.8
189.11230	8.2
189.12785	4.5
191.10545	3.1
191.14354	2.3
193.12216	18.5
195.11746	6.3
197.13245	6.9
199.14842	3.0
201.16496	2.5
203.14377	3.3
205.15877	4.2
209.13252	4.2
211.13223	20.7
211.14874	3.1
213.16333	3.1
215.14395	3.1
217.14328	5.4
227.12639	10.8
229.14212	12.0
233.15326	2.8
241.19688	2.4
247.20590	4.5
257.19037	6.7
259.20432	12.1
267.15848	15.8
269.17371	2.6
273.18567	5.0
275.20041	38.4
277.21552	7.0
283.15466	3.8
285.16971	12.5
287.05469	20.7
291.19623	8.6
293.21115	8.2
297.22113	2.2
300.74512	2.0
301.16699	4.6
313.21713	4.1
315.23138	3.6
325.21640	5.0
331.22687	2.7
333.24295	4.7
339.22836	2.3
343.22610	4.5
349.23602	13.8
412.74469	2.5
417.26376	2.9
421.30960	3.2
425.08740	2.4
431.28979	3.4
449.30560	6.1
461.28809	3.8
463.30573	2.4
467.31644	7.7
479.30042	9.3
485.32657	5.2
523.34106	3.1
541.27789	4.2
541.35150	26.7
559.28918	3.3
559.36176	64.0
577.37299	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.5
54.29734	2.5
55.01865	22.6
55.05252	4.2
55.05503	51.9
57.03431	22.0
57.07063	7.4
59.04985	5.0
61.33748	2.3
65.03917	6.3
67.05495	100.0
69.03412	6.0
69.07059	35.7
71.04980	11.7
79.05482	69.2
80.94955	2.2
81.03411	35.9
81.07045	70.0
83.04980	17.4
83.08607	30.9
85.02922	11.8
85.06523	7.4
87.05376	2.1
89.28920	2.1
91.05466	79.3
93.07030	56.0
95.04959	22.9
95.08589	46.5
97.02900	2.0
97.06525	25.2
97.10146	22.6
98.20733	6.3
99.08054	3.7
103.60545	2.2
105.07018	77.0
107.04935	17.6
107.08583	35.2
109.06513	12.5
109.10141	44.8
111.08098	11.3
113.06043	4.3
115.05446	7.1
116.04752	2.4
117.07001	33.6
119.08557	52.6
121.06493	10.4
121.10114	21.2
123.04438	3.5
123.08076	8.3
123.11687	3.7
125.09607	25.0
128.06194	3.8
129.05460	3.9
129.06993	26.4
131.08546	41.4
133.06480	6.4
133.10110	35.8
135.08061	8.1
135.11670	11.4
137.09616	7.8
138.78802	2.2
139.07559	2.7
139.11172	3.1
141.06973	6.0
142.07768	4.4
143.08530	19.4
145.06482	6.3
145.10100	29.9
147.08052	6.5
147.11665	26.9
149.09578	15.3
149.13257	6.0
151.11215	3.6
153.07106	2.3
155.08565	9.6
157.10097	22.9
159.11659	21.2
161.09642	5.1
161.13252	9.1
163.11206	9.6
165.12759	4.1
167.08549	6.0
169.10109	9.8
171.08081	2.7
171.10390	2.4
171.11646	12.8
173.09644	5.3
173.11768	6.7
173.13293	14.9
175.11174	11.6
175.14885	2.8
177.12738	3.7
179.14259	6.0
181.10083	3.4
183.11723	9.5
185.09590	2.3
185.13254	7.7
187.11211	6.2
187.14815	6.3
189.11272	7.8
193.10474	3.9
193.12167	19.0
195.11790	3.5
197.13278	6.4
199.14838	4.0
201.12781	3.5
203.14383	2.8
209.13361	3.4
211.13220	22.3
211.14885	2.5
213.12714	3.0
213.16371	2.9
217.14378	6.3
221.13274	2.4
223.15018	3.2
227.12782	7.6
229.14203	12.8
229.19472	3.3
237.16359	2.5
247.20580	3.2
257.19040	9.3
259.20724	9.0
267.15793	15.6
273.18613	3.3
275.20026	62.5
277.21741	2.4
285.16940	34.2
287.05533	7.8
291.19626	9.3
293.21130	9.2
297.22247	5.4
301.16443	3.5
313.21585	5.2
315.23291	4.6
317.37830	2.5
325.21713	4.3
331.22876	3.6
333.24286	4.6
343.22739	5.6
347.22153	3.2
349.23633	28.6
363.22482	2.7
367.24954	3.4
417.25949	2.6
421.30734	3.0
431.29468	3.0
449.30389	4.8
467.31577	6.0
485.32449	5.0
515.33679	3.7
523.33783	3.7
541.35065	27.8
559.36218	71.4
577.37360	77.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	24.8
57.07056	10.3
67.05495	64.3
69.07056	21.7
69.28893	100.0
71.08624	13.4
72.48758	7.8
79.05466	22.8
81.07043	52.8
83.08599	16.4
91.05450	27.7
93.07014	43.5
95.04936	20.3
95.08604	48.7
97.10151	10.7
98.20750	12.4
105.07006	43.2
107.04939	14.1
107.08575	36.2
109.06477	10.5
109.10146	17.5
112.24907	8.4
119.08578	27.5
121.10110	18.6
123.11738	10.5
125.09588	13.1
131.08548	24.8
133.10120	22.1
135.11650	20.2
143.08559	11.4
145.10083	18.2
147.11659	18.8
155.00909	10.4
159.11690	12.4
173.01759	7.9
183.11769	10.4
184.07361	10.1
217.28246	8.2
227.12817	11.6
279.15799	8.9
299.15192	10.8
313.27368	11.4
314.27637	23.1
541.34644	14.6
558.38171	9.8
559.36279	25.7
576.41638	53.4
576.50446	18.0
577.37244	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	577.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.0
53.08055	1.2
55.01865	24.6
55.05503	42.3
55.93872	1.5
57.03431	16.2
57.07056	3.5
59.04995	2.9
65.03922	4.5
67.05494	84.3
69.03416	6.8
69.07053	36.2
71.04987	9.6
72.54723	1.3
77.03891	2.1
79.05480	76.0
81.03407	60.3
81.07043	100.0
83.04967	26.3
83.08604	34.8
85.02885	22.7
85.06522	5.7
91.05462	84.3
93.07029	62.9
93.07621	3.5
95.04958	34.3
95.08594	47.5
97.02870	4.4
97.06514	32.1
97.10153	19.1
98.20786	4.1
99.04432	2.6
99.08082	3.2
101.09779	1.6
103.05432	3.1
105.04533	2.0
105.07017	79.7
107.04270	1.2
107.04939	27.8
107.08580	44.8
109.06499	13.3
109.10135	26.8
109.10812	2.4
111.00763	1.4
111.04429	5.7
111.08070	14.7
113.05968	1.9
113.52744	1.3
115.05432	4.7
117.07012	16.4
118.09548	1.3
119.08564	59.8
121.06506	9.5
121.10126	31.9
123.04411	3.4
123.08054	12.9
123.11693	12.3
124.34969	1.6
125.09604	15.9
128.06203	3.5
129.06981	17.0
131.08556	32.3
133.06445	4.9
133.10106	47.4
135.08034	8.3
135.11687	14.3
137.09563	7.9
137.13239	1.7
139.11189	2.7
141.06969	4.2
142.07767	5.9
143.08551	9.3
145.06470	3.3
145.10098	30.9
147.08023	6.6
147.11655	35.4
149.02330	2.3
149.09587	30.0
149.13242	5.5
151.11171	6.3
153.09113	2.4
155.08516	4.7
157.10107	19.9
159.08046	2.8
159.11658	18.8
161.09607	3.3
161.13232	10.1
163.11168	13.3
163.14774	1.7
165.09094	3.0
165.12682	7.4
169.10133	5.1
169.12270	1.8
171.11684	8.0
173.09625	3.4
173.13258	9.9
175.11166	16.5
175.14793	3.3
177.05571	1.7
177.12700	5.6
179.14281	2.2
181.10164	2.5
183.11670	6.3
185.13246	5.3
187.11142	5.5
187.14842	2.8
189.11189	7.5
189.12697	3.6
191.10605	1.5
191.14383	1.9
193.04964	3.4
193.12218	44.9
195.11664	1.8
195.13788	1.6
197.13272	4.0
198.34407	1.6
199.14894	2.0
201.12782	2.2
203.14433	2.3
205.12277	1.5
207.11751	1.6
209.13266	3.0
211.13248	57.9
213.16322	2.4
215.14349	2.1
223.14854	2.4
227.12743	17.8
229.14227	2.6
229.19481	4.4
229.76361	1.8
233.15346	2.4
239.17978	5.1
245.13812	2.1
247.20699	3.4
249.14775	2.2
253.14413	2.0
257.18887	10.6
259.20419	2.5
267.15836	31.4
273.18573	2.4
275.20029	91.7
283.15524	1.8
285.16916	38.4
287.05423	11.1
291.19485	3.1
293.21005	10.9
297.22165	1.5
299.20117	1.9
331.22580	2.0
349.23691	53.3
367.24838	2.7
381.22855	5.0
437.25351	2.1
445.29453	1.8
449.30481	4.5
455.26572	1.8
461.29025	2.0
463.30341	3.0
467.25299	1.8
467.31519	5.2
476.64224	1.7
479.29901	9.6
485.32935	2.9
523.34180	1.8
541.35217	23.2
559.36237	59.5
577.37335	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38894	14.2
51.47537	13.6
55.01836	20.1
55.05486	39.7
63.55278	13.2
64.74281	16.4
67.05479	81.2
69.07051	37.8
79.05470	63.2
81.07034	100.0
82.07359	17.7
83.04951	16.0
83.08609	29.3
91.05447	60.7
93.07030	70.8
95.04944	24.5
95.08582	71.9
97.10148	14.8
99.04428	16.8
105.07011	53.3
107.08553	40.0
109.10126	32.3
117.07008	30.7
119.08565	53.6
121.10114	38.6
131.08508	25.6
133.10126	31.5
135.08061	18.6
145.10104	30.2
151.11220	18.0
159.11693	28.6
173.13275	24.2
276.20609	17.8
287.05460	21.1
314.27567	27.4
340.76392	16.2
576.42462	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	23.4
55.05497	32.2
57.03429	13.5
60.04153	11.4
62.06083	18.8
67.05489	67.3
69.03397	11.5
69.07045	40.7
69.35104	19.8
69.35514	100.0
71.08590	11.5
79.05492	58.5
79.16568	12.0
79.42015	10.1
80.31644	8.9
81.03423	14.2
81.07043	87.5
83.04984	23.3
83.08611	30.0
91.05443	53.8
93.07029	74.3
94.07329	12.7
94.97559	11.0
95.04939	15.7
95.08579	78.2
97.06526	19.3
97.10165	18.4
105.07002	45.7
107.04954	14.3
107.08556	34.0
108.08892	10.3
108.31576	12.4
109.06469	18.9
109.10132	29.7
111.14976	14.1
117.06973	19.0
119.08570	34.5
121.10160	28.2
123.11658	12.7
125.09574	13.1
125.18821	11.0
129.06975	11.2
131.08510	30.7
133.10107	52.4
135.07985	11.2
135.11673	11.2
145.10065	23.0
147.11664	12.3
149.02318	15.2
149.09583	19.9
155.08513	11.5
157.10123	17.9
159.11624	17.1
207.57428	11.2
215.10925	11.0
227.12721	14.3
237.69397	10.4
267.15756	10.9
275.20111	31.4
283.15405	10.5
287.05429	36.1
420.26978	12.5
452.15948	12.1
453.33664	15.5
558.34863	22.6
559.36133	17.2
576.42340	49.6
576.50403	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	575.6118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	36.9
57.07065	65.6
61.57058	3.4
66.37581	3.7
67.05495	55.6
68.05816	3.8
69.07063	65.4
71.04983	9.2
71.08624	54.3
71.63297	3.4
79.05470	9.7
80.07030	4.1
81.07043	94.6
82.07399	4.8
83.08214	3.7
83.08624	48.5
85.10175	32.8
87.04462	12.3
91.05467	10.7
93.07035	8.8
95.08597	100.0
96.08916	6.0
97.10168	40.8
98.10651	3.7
99.11677	4.2
105.07032	4.8
107.08562	6.9
109.10145	57.7
111.11716	37.1
119.08593	4.3
121.10120	6.8
123.11696	29.8
125.13246	10.4
133.10143	6.1
135.11790	3.9
137.13191	10.3
148.23309	4.3
149.13231	6.4
149.21873	4.3
151.14771	7.4
165.16426	5.1
179.17987	5.9
187.13342	4.4
277.32245	3.6
314.27637	6.8
482.39218	34.9
540.43384	21.5
557.60516	9.8
575.50067	43.9
585.38525	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01860	5.0
55.05509	17.5
57.03411	4.3
57.07070	4.3
65.61859	1.9
67.05494	26.9
69.03409	7.7
69.07067	14.3
69.45406	5.3
69.45806	16.7
79.05490	28.3
80.05813	3.8
80.06245	2.2
81.03405	7.3
81.07048	89.4
82.07375	3.4
82.25652	1.9
82.53825	1.9
83.04969	3.7
83.08600	9.2
85.06535	2.7
91.05470	26.6
93.07031	45.1
94.07361	3.7
95.04947	9.7
95.08042	3.2
95.08594	46.4
97.06503	9.1
97.10193	4.8
98.21517	3.6
105.07014	52.8
107.04947	3.7
107.08580	40.4
109.06500	22.0
109.10143	27.7
111.04421	8.2
113.02322	4.4
113.05970	3.4
115.05431	4.2
117.07023	13.1
119.08559	52.8
121.06487	5.6
121.10122	56.4
123.04403	8.2
123.08047	7.0
123.11695	29.8
128.06209	6.3
129.07005	15.3
131.08549	49.3
132.09317	3.8
133.10115	38.1
134.10382	2.1
135.08029	6.0
135.11682	19.2
137.05963	68.4
137.13257	4.7
139.03981	2.1
141.06944	6.1
142.07756	11.9
143.08534	41.2
144.09328	3.8
145.10110	55.1
147.08017	13.5
147.11662	42.2
149.05911	2.6
149.09564	6.4
149.13292	11.1
153.06918	2.3
155.07014	7.6
155.08537	15.3
156.09315	7.1
157.08920	4.1
157.10118	55.2
158.10559	2.7
159.08066	7.7
159.11679	49.4
161.09586	8.7
161.13210	17.2
163.11148	8.0
163.14809	6.2
165.06979	3.9
168.09306	4.7
169.10126	35.7
170.10858	3.7
171.08061	5.1
171.11659	36.7
173.09639	13.2
173.13205	28.6
175.11177	9.8
175.14795	8.6
177.12752	4.2
180.09378	2.6
181.10088	6.3
183.11694	21.7
185.09587	7.3
185.13226	47.9
187.11185	7.6
187.14809	19.6
189.12750	6.1
189.16411	3.4
191.10625	2.9
193.09952	2.4
195.10123	2.3
195.11592	14.2
197.09496	2.2
197.13249	24.3
199.11072	6.8
199.14780	26.4
201.12666	14.4
201.16342	10.5
203.10597	2.6
203.14310	11.2
205.12154	5.9
207.11705	3.1
209.13240	7.8
211.11322	2.7
211.14775	7.9
213.12709	15.9
213.16353	5.4
215.10652	5.2
215.14323	17.2
217.12154	7.5
217.15820	4.8
219.13794	6.6
223.14928	3.6
225.12819	5.9
225.16338	4.7
227.14270	7.6
229.12253	5.2
229.15892	4.9
231.13760	27.3
233.15283	26.0
235.14900	2.9
237.16425	5.6
239.14241	4.9
239.17892	4.8
241.15852	2.9
243.13736	6.9
245.15363	10.3
247.17001	2.3
249.14647	4.7
251.17850	4.0
253.19568	4.0
257.15155	2.9
259.16928	4.7
263.16431	3.3
265.19528	2.5
267.15906	3.0
271.16855	2.2
273.18509	5.3
275.20132	5.0
276.20447	2.8
279.17661	2.4
279.21021	7.8
281.22800	3.0
287.05396	9.2
292.19720	3.6
307.20786	4.1
307.24146	23.5
309.25711	6.7
325.21808	4.3
325.25220	19.1
335.23645	4.4
353.24683	48.9
371.25800	42.8
389.24600	4.3
399.26712	10.7
417.27875	62.7
419.29361	13.1
427.26093	8.8
435.28882	100.0
436.29227	3.8
437.30240	4.5
445.27423	34.4
453.30035	14.9
463.28305	48.0
481.29434	31.1
499.30215	6.2
558.34784	5.9
576.35822	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	575.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	7.0
55.01857	15.6
55.05501	56.5
55.86353	1.8
57.03422	16.1
57.07058	4.5
59.04977	5.0
64.63639	1.6
65.03920	7.2
65.36886	1.7
67.05493	100.0
67.15639	1.6
68.05821	1.7
69.03399	6.9
69.06712	2.8
69.07055	35.8
71.04977	18.7
71.08601	2.6
71.56516	1.6
77.03918	3.2
79.05477	90.1
81.03404	32.8
81.07041	95.9
82.07391	2.3
83.04976	21.2
83.08606	34.7
85.02878	12.4
85.06517	10.3
87.04421	2.1
89.51357	1.7
91.05462	89.8
93.07027	83.0
95.04945	33.6
95.08588	68.9
96.68444	1.6
97.02848	3.4
97.06508	16.5
97.10146	20.9
99.08080	10.8
103.05449	2.3
105.07012	77.0
106.07305	2.2
107.04927	20.1
107.08570	45.5
109.06525	13.9
109.10137	33.5
111.04408	4.9
111.08083	10.5
113.05978	2.5
115.05457	4.2
116.06226	3.1
117.06999	30.5
119.04935	4.3
119.08558	49.8
121.06477	14.9
121.10121	33.7
123.04437	3.0
123.08028	12.4
123.11682	7.0
125.09591	16.5
128.06169	4.5
129.06979	21.1
130.07744	3.6
131.04886	2.0
131.08548	51.8
133.06456	11.9
133.10100	47.1
134.10448	2.3
135.08006	14.0
135.11655	16.0
137.05989	2.4
137.09578	6.7
139.11168	2.0
141.06969	5.9
142.07730	6.3
143.08546	24.4
144.09348	2.1
145.06477	3.2
145.10098	33.3
147.08003	11.1
147.10597	2.6
147.11673	23.9
149.09587	15.5
149.13182	6.2
151.11133	10.1
153.07027	2.2
153.09033	2.6
153.12718	1.8
154.07774	2.6
155.08524	12.6
156.09340	3.1
157.10120	29.5
159.08032	5.9
159.11649	23.5
161.09557	10.9
161.13214	6.9
163.11206	9.6
165.09087	1.7
165.12778	5.0
167.08534	5.8
169.10098	15.3
169.12216	2.9
171.11624	18.9
173.09572	5.1
173.11816	2.8
173.13170	12.2
175.11159	14.6
177.09084	2.1
177.12706	5.1
179.08572	2.0
179.10570	2.2
181.10094	8.4
181.12132	2.4
182.10854	2.6
183.11699	13.4
184.07217	2.2
185.09618	2.9
185.11713	2.6
185.13219	11.2
187.11157	6.1
187.14787	5.7
189.11186	6.4
189.12685	5.8
191.10458	2.7
193.12196	15.4
195.11656	9.7
195.13611	2.3
197.13206	10.3
199.11256	3.4
199.13106	2.5
199.14806	7.3
201.12846	4.3
207.11569	4.0
207.13683	2.4
209.13252	8.1
211.13242	20.9
211.14920	4.2
213.12720	3.4
217.15814	2.8
219.11707	2.0
221.13158	4.4
223.14879	3.2
225.12788	2.0
227.12671	15.9
229.14154	3.5
229.77225	1.9
231.17513	2.2
233.15469	2.0
235.14763	3.3
239.17886	2.5
245.15486	2.3
245.18982	3.9
253.14273	10.3
255.17479	2.2
257.18869	2.9
259.20569	5.0
263.20132	2.5
267.15924	13.0
273.18488	22.6
275.20059	11.3
283.15350	6.1
283.20493	4.7
285.16943	5.6
285.22083	6.0
289.17813	1.8
291.19452	32.2
295.20370	2.5
297.21936	2.1
299.23523	10.5
301.21622	3.2
309.20865	2.3
321.22333	2.1
329.20923	2.1
347.22235	8.7
349.23785	2.8
361.23743	2.0
365.23117	9.9
415.29871	5.2
421.25864	6.7
423.27484	2.6
431.28024	2.6
433.30997	16.2
451.32031	11.3
463.26553	3.2
469.33273	8.3
477.28894	2.2
499.33923	4.3
507.34500	8.8
517.35217	17.5
525.35669	54.5
539.34094	2.4
543.36700	63.4
557.37360	18.7
575.36511	56.5
575.50171	2.2
576.36591	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	575.357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73338	1.1
51.70683	0.9
51.95044	1.2
52.01825	1.4
53.03928	5.6
53.86057	1.0
55.01860	16.1
55.05503	43.7
57.03429	12.3
57.07062	2.9
57.72923	1.2
59.04985	2.7
65.03915	4.5
67.05494	62.3
69.03421	9.1
69.07057	35.0
70.01676	5.6
71.04987	6.9
71.08624	1.5
79.05481	58.5
80.05785	1.4
81.03403	38.9
81.07043	64.8
83.01306	1.7
83.04967	19.6
83.08608	26.8
85.02888	14.3
85.06526	3.4
91.05466	59.3
93.07028	53.1
95.01332	1.2
95.04952	27.8
95.08588	31.7
97.02884	9.9
97.06520	17.4
97.10155	24.9
98.03195	1.1
99.04502	1.3
99.08076	2.6
101.09632	1.2
103.05437	2.8
105.07016	48.5
106.07352	1.5
107.04264	2.0
107.04940	21.5
107.08574	34.5
109.02824	1.6
109.06496	12.6
109.10146	18.9
110.81389	1.2
111.04427	3.4
111.08051	10.3
115.05438	4.1
117.07005	19.7
119.02959	1.0
119.04927	1.3
119.08562	34.7
121.06473	9.8
121.10114	16.7
123.04404	2.2
123.08041	12.2
123.11679	5.5
125.05963	1.1
125.09602	22.0
126.60140	1.1
128.06241	3.3
129.06976	11.1
130.07738	1.8
131.08549	23.5
133.06499	6.4
133.10110	21.6
135.08014	8.5
135.11665	11.3
137.09619	6.5
139.11166	1.4
141.06952	2.5
142.07756	3.1
143.08540	9.6
145.06485	3.2
145.10110	23.9
147.08046	9.3
147.11656	22.2
147.12767	1.6
149.09595	15.2
149.13228	4.2
151.11143	3.8
153.06955	1.4
153.09091	2.5
153.12773	3.1
155.08499	4.7
157.10104	15.3
159.08089	3.1
159.11656	9.2
161.09605	5.8
161.13252	3.7
163.11142	13.7
165.09099	3.4
165.12744	5.0
167.08582	1.4
169.10136	3.7
171.08122	2.3
171.10292	2.0
171.11684	6.4
173.09610	5.5
173.11740	1.9
173.13232	3.0
175.11153	10.4
177.12746	2.8
179.14297	2.2
181.10034	1.3
181.12254	1.8
183.11644	4.1
185.09599	1.6
185.13303	3.0
187.11151	2.5
187.13176	1.6
189.11197	15.1
189.12721	1.7
191.10695	3.1
191.14275	1.5
193.12216	25.3
195.13719	1.5
197.13251	2.7
199.11240	2.3
199.14799	1.3
201.12712	2.2
205.12218	2.5
209.11748	3.3
211.13248	27.5
211.15208	2.0
215.18176	1.2
217.15604	1.3
219.13817	5.1
223.13271	12.1
227.12703	19.3
227.17776	1.5
229.19443	1.4
239.17981	2.6
240.06657	1.1
245.13870	1.6
245.18929	1.7
247.38812	1.5
249.14853	3.2
255.17563	2.0
257.19080	5.1
259.20569	3.2
263.20071	1.7
267.15887	26.0
267.18536	1.9
273.18417	25.5
275.20020	29.9
279.20605	1.1
283.15317	19.4
285.16766	5.2
291.19495	86.1
292.19940	2.6
293.21075	3.1
295.20590	1.2
299.15073	1.4
313.21475	5.3
315.19623	1.8
319.19479	1.1
331.22504	2.5
333.24417	1.5
347.22180	4.4
349.23788	13.5
365.23181	10.4
389.23563	1.4
424.92343	1.2
429.28860	1.2
437.25049	2.5
445.25925	2.4
447.28662	2.6
459.27182	1.4
461.28897	1.3
465.29938	3.4
477.28613	4.2
483.30728	3.3
490.31052	1.2
521.32599	1.6
529.35431	2.3
539.33521	5.4
557.34668	62.9
558.35114	4.2
575.35699	100.0
576.35999	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	574.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54641	0.3
51.69501	0.4
53.03926	0.5
53.97190	0.4
55.05505	0.6
67.01860	0.6
68.05000	0.5
69.03416	0.7
69.07067	0.5
70.06577	100.0
71.06918	0.4
71.21838	0.9
74.59345	0.3
80.72890	0.4
81.03395	1.6
81.07056	0.7
83.08601	1.0
85.02883	0.9
86.93819	0.3
89.06004	1.3
91.05425	0.8
94.17091	0.3
95.08615	0.8
97.02876	1.8
97.06499	1.1
105.07017	0.6
107.08591	0.5
109.02865	4.4
109.10155	0.6
111.04379	0.5
112.07582	95.8
113.07951	0.4
116.07074	1.8
119.04898	0.5
119.08519	0.5
121.02811	0.5
121.06501	0.5
121.10149	0.5
123.04376	0.5
125.97944	0.3
127.03880	0.9
130.34267	0.3
131.08533	0.4
133.08575	0.9
133.10052	0.4
139.03871	0.8
139.07423	0.4
140.07036	65.3
143.08429	0.4
145.10078	0.6
147.04367	2.5
153.01797	6.5
157.04919	0.4
158.06821	0.7
158.08092	10.3
163.03864	1.1
171.02864	4.0
177.05405	0.5
195.02769	0.8
196.56424	0.4
200.09042	0.7
212.09187	0.8
215.03285	0.9
230.10214	1.1
239.14784	0.5
242.10255	2.4
243.00314	0.4
243.02852	0.5
259.09552	1.1
261.03967	0.5
266.10175	3.2
273.07507	3.3
281.44415	0.4
284.11221	7.9
299.54813	0.4
302.12195	1.3
311.23950	0.4
363.08438	2.0
377.28928	3.3
381.09406	0.6
395.29922	0.7
426.71765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.2
55.05494	1.0
57.03414	1.6
57.75092	0.7
59.22752	0.6
67.05498	20.8
69.03426	5.8
69.07040	1.8
70.97260	1.2
71.01322	1.4
71.04991	1.0
73.02893	1.8
79.05475	2.0
81.03402	2.7
81.07048	12.4
83.04955	0.6
85.02879	2.8
91.05455	2.2
93.07032	2.6
94.43516	0.8
95.04960	4.1
95.08593	7.8
97.02882	12.1
97.06579	0.7
99.04443	2.6
99.08057	0.8
105.07050	0.9
107.08585	2.1
107.53796	0.6
109.02828	0.6
109.06533	2.0
109.10141	59.2
115.03915	2.6
119.08562	3.5
121.10125	1.3
123.04395	0.7
125.02336	6.2
125.05988	3.8
133.04945	4.1
137.09596	100.0
138.09990	0.7
143.03368	1.2
147.04355	1.0
147.08031	1.3
155.10649	9.7
161.04495	0.9
165.09091	65.8
167.07040	2.0
179.05515	1.3
179.07051	0.9
183.10136	8.9
197.08052	2.2
198.10132	0.6
201.11186	14.2
259.06018	0.8
287.05411	1.6
297.13321	9.7
315.14282	7.7
325.12796	8.1
343.13834	65.1
344.14151	1.0
361.14789	5.3
370.59985	0.7
436.28195	0.6
457.17096	1.2
475.18585	0.7
503.17468	15.4
511.63583	0.7
521.18408	4.8
574.19373	0.9
588.96423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1179
Annotation	Luteoskyrin
Peak:m/z	Relative Intensity
55.01869	1.5
65.03922	1.8
67.05494	1.2
68.99784	2.9
69.03412	2.1
69.39673	9.4
70.06590	1.5
73.02929	1.0
74.75021	0.8
79.05479	2.4
81.03406	1.8
83.04987	1.7
85.02903	3.7
86.09686	1.4
93.03406	0.9
95.04977	1.6
97.02905	1.4
103.05468	1.3
107.04961	1.8
110.30601	0.9
111.04475	4.7
119.04887	1.9
121.02839	2.8
121.06547	1.4
123.04430	11.5
127.03867	0.9
131.04942	2.7
131.36325	0.8
135.04399	10.7
137.02405	1.6
137.05986	1.7
137.09627	1.2
139.03891	53.4
145.02850	1.2
147.04382	13.7
149.02322	1.9
149.05968	2.7
151.03915	4.1
153.05444	1.3
159.04425	1.9
161.02290	1.0
161.06047	2.8
163.03903	30.8
173.05927	1.2
175.03886	7.3
176.04741	1.9
177.05489	5.1
179.03372	2.1
181.04971	5.5
181.06329	1.1
187.03899	8.9
189.05449	2.3
189.07027	1.4
191.03363	8.5
193.04901	1.4
197.06102	1.0
199.03896	1.9
201.05495	1.8
203.03404	5.0
205.04848	4.4
207.03056	0.9
211.07529	1.2
213.05524	2.7
215.03455	1.7
216.04230	1.9
217.04906	1.7
219.02728	1.0
219.08104	2.1
223.07529	1.1
225.05452	0.9
229.05016	3.1
231.08055	1.2
235.07558	3.2
237.05539	1.6
237.09158	1.2
241.80487	0.9
243.02858	1.0
244.03802	1.5
245.04248	6.7
247.07622	4.1
249.05522	1.7
250.06233	1.3
251.07071	2.2
253.04910	1.3
255.06432	1.1
257.04471	3.7
258.05173	1.0
259.07706	1.1
263.06982	6.3
264.38531	1.1
267.06616	2.4
269.04529	2.0
273.05487	3.4
274.06207	1.5
275.07080	4.9
277.05301	1.0
277.08698	2.6
278.05618	1.1
279.06470	5.2
281.04483	2.4
281.07950	1.7
283.06049	1.8
285.05612	1.0
287.07126	2.0
291.06424	6.9
293.04883	0.9
293.08084	3.9
295.06064	3.7
297.03973	1.1
297.07440	2.0
299.05627	1.3
301.04932	2.2
302.05573	1.5
303.06512	7.7
305.07956	2.3
307.06012	1.5
308.06674	1.2
309.07626	3.4
315.06427	1.8
317.08142	2.0
319.05917	11.6
320.06680	2.2
321.07632	5.8
323.05676	1.4
325.07281	1.8
329.08151	1.4
331.06091	5.4
333.07574	6.3
334.04767	1.6
335.05649	4.7
335.09064	1.7
337.07181	6.3
338.07651	1.1
343.06079	1.1
345.07712	2.4
347.05447	6.0
348.06238	1.9
349.06995	8.3
351.08826	4.7
353.06635	9.1
355.07968	2.4
361.07227	3.9
363.04788	1.8
363.08716	2.5
365.06433	11.6
365.10037	1.1
366.07172	6.6
367.08078	25.8
373.07101	1.7
377.06412	7.1
379.08112	11.9
381.10065	1.5
383.07730	4.0
389.06735	2.5
391.08267	3.9
395.07578	56.0
405.06235	1.2
407.07602	20.6
409.09430	2.5
419.07779	4.6
423.07394	2.1
437.08664	7.0
443.07562	0.9
451.21710	1.0
497.08484	1.2
511.10294	2.9
511.24579	1.1
521.09320	1.8
529.11292	11.1
539.03137	0.9
539.09723	35.0
557.10754	100.0
558.11304	1.9
575.11755	47.7
576.12030	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.5
53.03949	2.0
55.01850	0.6
55.05501	11.5
56.05827	0.4
57.03427	0.8
57.07064	28.2
63.09989	0.4
65.03930	1.4
67.05491	31.6
68.05818	0.8
68.45406	0.4
69.03412	0.5
69.07054	11.7
69.60780	3.0
70.07374	0.6
71.04980	0.9
71.08617	18.4
77.03829	0.4
79.05479	22.3
80.05814	0.7
80.94851	0.4
81.07043	30.2
82.07369	0.7
83.04972	0.9
83.08603	11.2
85.06551	0.7
85.10167	9.4
91.04885	0.5
91.05463	11.1
93.07027	24.4
94.07387	1.1
95.04970	3.3
95.08590	29.4
96.08930	1.2
97.06503	0.9
97.10150	6.0
98.10461	0.4
99.08054	0.6
99.11711	0.9
104.99258	1.3
105.04494	0.6
105.07005	6.6
107.08576	11.1
108.08898	0.6
109.06477	0.8
109.10132	12.4
111.08076	0.5
111.11715	1.3
113.41724	0.4
117.07002	2.6
119.08552	5.0
119.09353	0.5
121.10122	10.0
123.11685	3.7
125.13254	0.7
131.08554	4.7
133.10100	4.2
135.11673	5.5
137.13210	1.9
145.10129	3.0
147.11647	2.6
149.13254	2.6
151.14772	0.6
159.11671	1.7
161.13243	2.2
173.13216	2.1
175.14868	1.0
187.14803	1.0
221.22675	0.6
239.23659	6.6
243.21040	1.0
244.95361	0.4
261.22116	3.4
268.99725	0.4
313.27316	1.4
317.24829	2.4
381.65240	0.4
386.90652	0.5
409.89819	1.3
489.46353	0.4
567.90918	0.6
573.48608	100.0
574.48969	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	573.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.5
53.03935	6.0
55.01617	1.3
55.01864	22.0
55.02126	0.8
55.05499	33.4
56.85349	1.0
57.03424	9.6
57.07050	2.8
65.03923	4.7
67.05490	79.8
67.42338	1.0
69.03414	3.3
69.07054	25.7
71.04980	5.1
71.08637	1.4
73.06525	2.0
79.05476	100.0
80.05770	1.0
81.03399	10.6
81.07040	91.2
83.04963	19.3
83.08598	15.2
83.73585	1.0
85.02870	1.3
85.06512	4.3
87.04451	1.2
91.05462	86.2
93.07024	85.1
94.07344	1.1
95.04950	28.5
95.08587	47.0
97.02782	1.1
97.06508	29.4
97.10149	9.6
99.08063	3.3
101.47670	0.9
103.05446	2.5
105.04473	1.7
105.07009	73.3
107.04935	24.6
107.07847	2.4
107.08574	44.5
109.06500	16.6
109.09441	1.5
109.10132	18.6
111.08068	5.5
115.05408	4.0
116.61348	1.0
117.06989	23.1
119.08556	50.4
120.45067	1.0
121.06479	9.6
121.10117	21.1
123.08019	9.1
123.11684	6.3
125.05989	1.2
125.09600	7.5
127.07499	1.3
128.06189	3.8
129.06982	21.2
130.07771	1.7
131.08542	23.3
133.06493	2.3
133.10106	34.4
135.08023	7.7
135.11670	10.5
137.09589	3.8
139.07457	2.1
139.11183	1.5
141.07014	2.4
142.07776	1.4
143.08534	15.3
145.06485	2.4
145.10089	28.9
147.08011	4.3
147.11656	46.4
149.09593	24.5
149.13191	4.8
151.11159	3.2
155.08498	2.8
156.09338	1.5
157.10123	6.2
159.08051	2.4
159.10406	1.6
159.11653	14.0
161.09608	5.3
161.13226	17.1
163.11130	15.7
163.14777	2.2
165.09171	1.8
165.12743	3.1
169.10088	4.5
169.12268	1.1
171.11639	26.2
173.09621	1.8
173.13187	8.0
175.11179	3.1
175.14769	1.3
177.12642	2.8
179.14272	3.0
181.10066	1.4
181.12108	1.2
183.11607	4.1
185.13255	2.1
187.11165	2.4
187.14738	2.1
189.11179	2.4
189.12706	11.8
191.14252	1.9
193.12064	1.0
195.11642	1.9
197.13246	3.3
199.14679	1.9
207.13737	24.1
209.13116	1.1
211.14839	2.4
215.17955	1.9
225.14696	1.7
227.12714	18.4
229.19533	4.0
233.15277	1.6
239.18007	4.8
247.20502	3.7
257.18967	15.3
265.21402	1.3
267.15750	2.5
273.18497	1.4
275.20001	96.3
279.15781	2.3
281.17407	61.0
282.17932	1.1
291.19543	4.0
293.21057	9.3
313.21448	1.5
331.22589	3.0
349.23672	43.8
377.23315	4.9
451.26709	3.2
459.31256	2.4
475.30481	13.9
481.33112	2.5
483.30972	1.2
497.32584	1.3
499.34445	1.3
515.33051	1.3
537.35730	2.2
541.35059	1.2
555.36700	61.1
573.37994	28.9
573.48120	4.4
574.37842	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.4
55.01863	40.2
55.05501	22.4
56.20355	0.7
57.03426	11.2
57.07067	19.0
60.31666	0.9
63.39911	0.9
65.03918	2.7
67.05495	51.4
69.03405	2.1
69.07059	33.4
70.97388	2.2
71.04961	3.1
71.08622	14.0
72.18044	0.9
73.06544	1.3
79.05480	60.1
79.28151	0.7
81.03403	13.2
81.07043	61.4
83.04960	14.1
83.08599	12.1
85.02880	1.2
85.06520	3.6
85.10178	7.0
91.05467	67.4
93.07030	58.6
95.01334	5.7
95.04958	17.2
95.08593	40.2
97.02858	1.8
97.06516	67.6
97.10146	7.3
98.98444	16.7
99.08081	1.8
103.05447	1.5
105.04480	1.4
105.07014	65.9
107.04942	20.9
107.08582	20.1
109.02840	3.3
109.06518	4.3
109.10144	13.4
111.04423	0.8
111.08054	2.8
111.11689	1.0
113.09633	1.4
115.05420	1.1
117.06992	14.2
119.08562	37.5
121.06479	3.9
121.10132	11.6
123.04409	2.5
123.08044	5.7
123.11706	4.2
125.09584	3.5
127.03873	1.0
128.06198	1.7
129.06992	11.4
131.08546	16.7
133.06461	2.0
133.10120	27.8
135.08069	4.1
135.11676	7.3
137.09604	4.0
137.13222	1.0
139.07521	4.0
141.06929	1.9
143.08542	6.4
145.06468	2.0
145.10092	17.1
147.08008	2.3
147.11673	27.8
149.09602	14.1
149.13217	2.5
151.11151	2.1
155.01007	17.5
155.08524	2.9
157.10086	2.5
159.11703	11.1
161.09579	3.5
161.13223	11.3
163.11163	9.8
165.09070	2.7
165.12743	1.1
169.10036	1.6
171.11655	13.7
173.02084	1.6
173.09529	1.0
173.13252	4.3
177.12767	4.5
179.14291	13.8
183.11710	2.2
187.11110	3.2
187.14702	2.4
189.12749	6.5
191.14236	1.4
195.13852	1.0
197.13318	1.7
205.12233	1.6
207.13760	11.8
223.12999	1.0
229.19456	1.3
239.17833	2.6
239.23619	3.0
247.20535	3.7
257.18915	8.4
257.24768	1.3
263.16464	1.7
275.20020	100.0
276.20352	2.1
279.15918	4.0
281.17426	44.5
282.17841	1.1
291.19492	3.2
293.21066	10.4
313.27328	76.6
314.27731	4.5
317.06235	2.9
335.07178	1.1
344.55252	0.8
349.23703	29.4
349.28094	1.4
377.23047	2.5
393.23773	4.0
401.28784	2.8
452.75659	0.9
459.31259	1.5
537.27985	2.2
537.35419	1.8
555.36737	74.7
556.36871	2.8
573.35767	4.1
573.48126	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	573.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.4
53.03934	4.5
55.01859	39.9
55.05498	20.1
57.03187	0.7
57.03426	9.6
57.06784	0.8
57.07060	15.3
59.04972	1.1
65.03907	3.2
67.05487	52.4
68.05813	1.0
69.03413	1.8
69.04519	0.6
69.07051	32.3
70.35508	0.7
70.71181	1.7
71.04956	2.8
71.08620	7.8
73.06537	1.4
77.03876	1.8
78.18303	0.6
79.05473	53.5
80.26462	0.6
81.03400	12.0
81.07036	56.2
83.04960	11.3
83.08603	10.8
85.02883	1.1
85.06512	2.8
85.10165	5.6
87.08078	0.9
91.05457	59.2
93.07021	48.7
95.01312	6.7
95.04356	0.8
95.04948	17.4
95.08581	41.0
96.23740	0.7
97.02851	1.7
97.06506	71.0
97.10139	5.0
98.06851	1.0
98.98442	12.3
99.04431	1.4
99.08049	1.4
103.05459	0.9
105.04502	1.4
105.07004	65.1
107.04932	19.7
107.08565	18.1
109.02812	1.5
109.06501	7.0
109.10126	9.5
109.50745	0.8
111.04408	1.3
111.08057	2.6
113.09615	1.4
115.05422	1.3
117.06992	14.7
119.08553	35.5
121.06475	3.7
121.10110	9.9
123.04385	2.4
123.08035	4.8
123.11665	3.0
125.09542	3.8
129.06970	9.5
130.07686	0.9
131.08536	16.2
133.06493	1.9
133.10095	30.7
135.08083	3.9
135.11636	7.9
137.09564	3.9
139.07489	2.6
141.06950	1.6
143.08519	7.2
145.06444	2.0
145.10081	15.2
147.07988	2.7
147.10464	1.4
147.11650	28.8
148.12009	0.9
149.09586	14.4
149.13202	2.9
151.11150	2.2
155.00999	11.9
155.08510	1.3
157.10081	3.1
159.11656	10.7
161.09570	2.4
161.13239	8.3
163.11151	10.0
163.14774	1.0
165.09122	3.4
165.12674	1.1
169.10088	2.7
171.10211	1.6
171.11633	14.9
173.02097	0.9
173.13182	4.0
175.11241	0.9
175.14784	1.2
177.12720	3.6
179.14262	13.8
183.11650	2.2
185.13220	1.4
187.11078	2.4
187.14697	1.1
189.12671	6.2
191.14288	0.8
195.13731	1.6
197.13208	1.5
205.12181	1.9
207.13750	12.0
211.14902	0.9
215.14319	1.4
215.17899	1.5
222.42972	0.7
223.13171	1.2
225.14798	1.6
229.19391	2.3
233.15297	1.3
239.17932	2.8
239.23593	2.1
241.14301	1.2
247.20479	4.0
257.18951	7.8
259.20331	0.9
261.03619	0.7
263.16470	1.6
275.19995	100.0
276.20294	1.7
279.15939	4.6
281.17407	43.1
291.19421	1.5
293.21048	9.6
313.27286	52.1
314.27631	2.6
317.06207	1.7
331.22495	0.9
335.07346	1.0
349.23651	28.2
350.23672	0.7
367.25226	1.0
377.23096	2.1
393.23810	3.1
401.28711	1.6
459.30704	2.0
475.30508	1.0
537.28143	1.9
537.35620	1.6
555.36682	74.9
556.36798	2.2
573.37378	5.3
573.48248	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	572.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.89358	0.2
55.01849	0.3
55.05498	2.4
57.07066	1.4
58.06590	2.7
60.04518	7.6
67.05496	7.4
69.03412	0.3
69.07056	8.8
70.68128	0.4
70.68501	0.4
71.08630	0.4
72.08150	0.3
79.05474	2.6
81.07046	9.6
83.08607	2.6
84.08137	1.8
91.05466	2.5
93.07030	4.5
95.04967	0.7
95.08592	10.7
97.06538	0.5
97.10160	1.1
98.09696	1.6
99.08041	0.3
100.07591	0.3
105.07016	5.7
107.08578	6.3
109.06499	0.5
109.10140	13.2
111.11713	0.8
113.63801	0.2
117.07012	1.2
119.08556	4.1
121.06531	0.3
121.10125	4.7
123.08121	0.2
123.11694	2.9
126.09160	0.3
126.12810	0.5
128.06215	0.5
128.14279	0.2
129.06992	2.0
131.08557	3.4
133.10114	3.5
133.54039	0.2
135.08099	0.3
135.11670	2.3
137.13237	2.0
140.10692	0.3
141.05952	0.2
141.06984	0.8
142.07796	0.7
144.09346	0.3
145.06558	0.2
145.10110	4.2
147.04408	0.4
147.11676	2.6
149.05983	0.3
149.09599	0.5
149.13251	1.9
150.45229	0.2
154.07732	0.5
155.08549	2.0
156.09332	0.6
157.10109	4.0
158.10809	0.3
159.11652	3.1
159.12843	0.3
161.09622	0.6
161.13223	1.8
163.11200	0.2
163.14807	2.9
167.08630	0.4
168.09453	0.2
169.10089	3.0
170.10825	0.4
171.08046	0.3
171.11699	3.4
173.09619	0.4
173.11827	0.4
173.13263	1.5
175.11166	0.5
175.14836	0.8
177.16371	0.6
181.10127	0.9
183.11655	2.4
185.13235	2.3
187.11180	0.7
187.14766	1.1
189.12753	0.4
189.16391	0.8
191.18056	0.3
195.11673	1.4
196.12482	0.3
197.09613	0.5
197.13228	1.7
199.14780	0.9
201.09204	0.3
201.12740	0.5
201.16429	1.0
203.10651	0.5
203.14233	0.3
203.17906	1.2
205.12267	0.3
209.13260	1.0
211.14803	1.1
213.12666	0.3
213.16393	0.8
215.10686	1.4
215.14233	0.2
217.12268	0.5
217.19514	0.4
219.20952	0.4
221.13318	0.3
223.14836	0.8
225.12759	0.3
225.16470	0.8
229.12270	0.8
231.13766	0.6
233.15479	0.3
237.16338	1.1
239.17892	0.6
243.13768	1.1
245.15550	0.3
249.16388	0.3
251.18005	0.6
253.19615	0.4
255.13759	0.4
257.15320	1.2
265.19412	0.3
269.15353	0.3
275.16843	0.4
275.20023	0.5
279.20972	0.4
281.17535	0.3
283.17035	0.7
297.18671	0.5
307.24222	0.4
313.27206	0.3
323.20108	0.3
325.21527	0.6
353.24741	1.1
367.79651	0.3
383.24207	2.8
389.31952	0.4
435.32565	1.3
453.33871	0.5
466.36749	0.4
470.36002	1.1
512.37177	0.7
530.38336	0.5
572.39380	100.0
573.39716	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	573.3026
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03935	0.5
55.01863	2.2
55.05502	5.0
56.14694	0.4
57.03426	4.0
57.07067	24.3
65.03915	0.6
65.12360	0.4
66.70363	0.4
67.05494	12.0
68.67584	0.4
69.03404	0.8
69.07059	5.9
69.36143	2.1
69.36569	2.0
71.04963	1.2
71.08622	16.3
74.87153	0.4
75.04466	0.4
76.72818	0.4
79.05473	6.1
81.03404	4.3
81.07044	12.2
81.46070	0.4
83.04950	1.1
83.08607	7.2
84.16681	0.4
85.02887	0.7
85.06531	0.6
85.10168	10.6
87.66120	0.4
88.23142	0.4
89.06005	0.7
91.05473	5.0
93.07021	4.9
95.04935	1.6
95.08590	13.4
97.06510	3.6
97.10161	3.1
98.98453	23.1
99.04420	0.9
103.07552	0.6
105.07006	5.8
107.04922	1.6
107.08575	2.7
109.02867	2.9
109.10131	5.3
111.08064	0.6
111.11706	0.9
116.99474	1.0
117.06995	1.5
119.08561	2.7
121.10152	1.9
123.08003	0.6
123.11719	2.5
127.03902	0.6
129.06960	0.7
131.08533	1.4
133.10117	3.1
135.11685	0.9
143.08495	0.7
145.10104	1.8
147.07951	0.5
147.11674	2.4
149.09593	1.3
149.13219	0.5
151.14815	0.6
152.84009	0.4
155.01021	21.8
159.11676	1.2
161.13249	1.0
162.53398	0.4
163.11113	0.6
166.85318	0.4
171.11676	1.2
173.02109	1.2
173.13248	0.5
175.14740	0.4
177.12695	0.4
178.64531	0.4
179.14236	0.7
189.12683	0.7
191.14343	0.4
207.13820	1.2
239.23657	3.2
243.02612	0.6
247.20407	0.6
257.24680	0.7
261.03705	1.2
275.19980	5.5
281.17432	2.9
293.21152	0.6
313.27313	100.0
314.27646	1.7
317.06305	3.1
335.07458	1.9
349.23669	2.5
383.27859	0.7
384.36798	0.4
393.23941	4.2
401.29199	1.9
475.30624	1.9
537.28210	4.3
555.29712	0.5
555.36932	5.2
572.47449	0.5
573.39801	0.6
573.48456	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	572.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.05502	3.2
57.07063	1.8
57.10757	0.3
57.16220	0.2
58.06593	2.5
60.04515	9.2
65.03923	0.5
67.05493	7.4
69.07056	10.2
70.06574	0.6
70.70761	0.9
71.08622	0.4
72.08121	0.9
79.05484	3.5
81.07045	12.0
83.04934	0.3
83.08611	2.2
84.08140	1.9
86.06036	0.5
86.09708	0.3
91.05460	2.5
93.07027	5.9
95.04939	0.7
95.08590	14.2
97.06528	0.6
97.10157	0.8
98.09662	2.3
100.07587	0.4
105.07015	6.5
107.08576	8.2
109.06490	0.5
109.10136	14.5
111.11707	0.6
114.09170	0.4
117.07008	1.7
119.08562	5.1
121.06538	0.4
121.10124	5.7
123.08011	0.3
123.11687	3.9
126.12756	0.6
128.06180	1.0
128.14297	0.4
129.06964	1.8
131.08542	4.4
133.10107	4.2
135.11649	3.4
137.13242	2.6
140.10678	0.6
141.06989	1.0
142.07764	0.8
143.08530	5.2
145.10104	5.9
147.11659	3.2
149.05948	0.5
149.09584	0.5
149.13234	2.3
154.07774	0.7
155.08534	2.9
156.09341	1.2
157.10085	5.1
157.11284	0.4
159.08072	0.4
159.11668	3.7
161.09602	0.5
161.13202	2.0
161.46594	0.3
163.14801	3.4
167.08578	0.5
168.09279	0.5
169.10083	3.9
170.10815	0.4
170.62624	0.4
171.11676	3.9
173.09612	0.6
173.13208	1.9
175.11122	0.8
175.14801	1.0
177.16415	0.6
181.10106	1.0
182.10854	0.4
183.11662	3.0
185.13245	3.1
187.11162	0.7
187.14781	1.4
189.12662	0.3
189.16380	0.5
193.10097	0.4
195.11620	1.7
197.09624	0.6
197.13248	2.9
199.11145	0.3
199.14780	1.3
201.09036	0.3
201.12842	0.3
201.16350	0.6
203.10635	0.4
203.17953	1.1
205.12164	0.5
209.13280	1.5
211.11307	0.4
211.14801	2.1
213.12552	0.3
213.16319	0.8
215.10664	1.1
215.14223	0.3
215.17886	0.8
217.12218	1.0
217.19554	0.5
219.21117	0.4
221.13301	0.3
223.14799	1.1
225.12779	0.3
225.16289	0.6
229.12248	0.6
231.13763	0.6
237.16336	1.0
239.17897	0.7
243.13704	1.1
251.17976	0.6
253.19675	0.5
255.13841	0.5
257.15259	0.8
269.15479	0.4
275.19937	0.5
279.21021	0.3
283.17065	0.4
285.18542	0.4
297.18365	0.6
307.24191	0.4
325.21603	0.6
353.24850	2.1
371.81055	0.4
435.32669	1.4
448.35556	0.4
452.35147	0.4
453.33588	0.7
466.36942	0.7
470.36267	0.8
512.37341	0.7
530.38354	0.6
566.91364	0.4
572.39374	100.0
573.39398	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
61.02901	0.5
64.02615	0.3
69.03403	1.8
71.62072	0.5
73.02901	0.6
81.03409	0.6
84.08124	0.3
85.02891	1.4
87.04458	0.3
87.94481	0.3
97.02840	0.7
99.04437	0.4
121.06522	0.3
127.03879	0.4
146.32785	0.3
147.04373	0.3
173.33052	0.3
197.10738	0.5
198.07854	0.6
199.08583	2.1
210.07854	0.8
211.08699	1.2
212.09433	1.4
213.06900	0.3
213.10245	3.1
214.10933	0.4
215.11853	0.6
223.12167	0.4
224.09451	0.6
225.06622	1.1
225.10167	2.6
226.07422	0.6
226.10986	0.8
227.08064	1.8
237.10181	0.5
239.08133	3.9
239.11758	2.3
240.08884	4.3
241.09703	7.5
241.13385	0.5
242.10608	0.6
243.07648	0.5
243.11278	1.3
249.35847	0.3
251.11763	0.5
252.08949	0.5
253.06230	0.6
253.09703	7.8
254.07016	0.4
254.10428	1.3
257.09113	1.5
258.10129	0.6
259.10846	2.6
260.11423	0.4
266.06961	0.5
267.07715	1.8
267.11292	5.8
268.08401	10.5
269.09259	1.9
269.12784	1.0
271.10764	6.1
271.13443	0.5
272.11578	0.6
273.12305	4.6
274.13071	0.7
275.10059	0.4
277.12015	0.6
281.09204	2.1
282.10037	1.0
285.08710	1.4
285.12360	1.6
287.10226	0.4
289.11761	0.8
295.10757	6.2
297.12326	1.0
299.10236	0.6
299.14178	0.4
300.10965	2.8
301.11859	1.0
303.10202	0.4
308.07947	0.6
313.11786	4.4
315.13422	0.4
317.11353	1.0
318.11996	2.9
319.12863	1.2
323.10208	7.5
326.08954	0.6
327.13354	1.8
329.14935	0.5
331.12878	0.8
335.12241	0.7
341.11285	24.1
345.14413	1.1
349.13889	0.4
355.12827	8.9
359.12244	2.0
373.13895	22.1
374.14340	0.5
391.14963	21.4
409.15994	5.2
433.15967	0.8
439.17072	0.8
553.20300	1.8
571.21283	100.0
572.21350	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
57.03411	1.8
61.02909	0.8
66.67741	0.6
69.03416	3.8
69.07065	0.7
70.03082	2.3
71.04975	0.8
73.02908	1.3
76.04807	0.4
79.05473	2.5
81.03395	1.7
81.07007	0.8
83.04983	0.6
85.02888	7.6
91.05466	3.1
93.07034	3.7
95.04956	1.5
97.02907	3.3
99.04397	0.9
103.05445	2.2
105.06999	2.6
107.04946	5.9
107.08585	1.2
109.02839	0.5
109.10161	0.6
111.04416	0.7
115.03898	0.9
115.05430	0.9
117.03359	0.9
117.07016	1.2
119.04905	0.9
121.02820	1.6
121.06510	5.0
123.04396	2.2
124.05225	0.7
127.03032	0.5
127.03910	1.9
128.06158	0.9
129.06993	6.1
131.04918	2.8
131.08571	3.4
133.06479	1.5
133.10092	0.6
135.04428	0.5
135.08051	1.6
135.11612	0.6
137.05975	4.3
137.09584	0.7
138.06680	0.5
141.07016	1.2
145.02811	2.6
145.04930	1.6
145.06464	1.6
147.04372	2.1
147.08008	0.6
148.05179	0.7
149.05975	2.5
151.03900	1.2
151.07529	5.9
152.04611	0.6
153.05444	2.9
153.06903	0.6
157.06476	5.5
159.08011	1.9
161.05968	7.9
161.08459	0.5
161.09564	2.7
162.07596	0.9
163.06239	0.7
163.07507	5.3
163.11179	0.6
165.05597	0.7
165.06935	0.5
165.09067	2.9
166.06252	2.2
167.07021	24.2
169.06459	0.8
173.05968	0.9
174.06743	4.4
175.07484	4.8
177.05458	7.1
177.09073	3.8
179.07059	1.2
179.08499	0.9
180.08711	2.7
181.05057	0.8
181.08569	27.0
182.07280	0.7
187.07504	0.6
189.09077	25.0
190.09442	0.6
191.06972	1.8
191.08690	0.7
191.10654	2.1
192.51723	0.5
193.08592	1.3
194.07281	0.8
195.08029	1.9
197.09554	2.5
201.09103	1.8
203.10762	0.8
207.08247	1.2
207.10068	4.4
210.06775	0.7
211.16927	0.7
212.08345	0.6
219.08058	1.4
219.10118	19.4
221.05969	1.3
222.06558	0.6
223.07629	1.3
223.11220	1.0
225.09082	3.8
227.06934	1.0
227.12724	0.6
229.12305	1.0
233.09470	0.8
235.07480	0.7
236.08345	1.0
237.09036	0.7
239.06909	0.7
239.10568	0.8
240.07895	0.7
241.08708	0.8
242.09373	0.5
247.07610	0.8
249.11287	0.6
251.07059	1.3
251.10638	1.1
253.08611	3.8
255.06458	0.8
255.10202	1.0
255.29865	0.5
257.11703	4.5
265.08716	1.2
267.06927	0.5
267.10037	1.0
269.07852	0.8
270.08899	0.8
279.10043	1.2
283.09644	2.8
283.13257	2.6
285.11148	9.2
297.11078	0.8
299.09229	0.9
299.12759	1.6
302.11536	1.6
303.04959	1.8
304.05347	4.6
305.05521	3.7
305.13739	1.0
306.05804	3.7
311.12582	2.3
314.11456	0.8
315.12256	5.5
317.13815	8.2
327.12088	0.5
329.13843	1.7
331.15436	2.2
339.10547	0.9
343.15326	16.8
361.16403	100.0
362.16724	1.7
365.86990	0.5
373.16647	1.4
424.52054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
57.03411	1.8
61.02909	0.8
66.67741	0.6
69.03416	3.8
69.07065	0.7
70.03082	2.3
71.04975	0.8
73.02908	1.3
76.04807	0.4
79.05473	2.5
81.03395	1.7
81.07007	0.8
83.04983	0.6
85.02888	7.6
91.05466	3.1
93.07034	3.7
95.04956	1.5
97.02907	3.3
99.04397	0.9
103.05445	2.2
105.06999	2.6
107.04946	5.9
107.08585	1.2
109.02839	0.5
109.10161	0.6
111.04416	0.7
115.03898	0.9
115.05430	0.9
117.03359	0.9
117.07016	1.2
119.04905	0.9
121.02820	1.6
121.06510	5.0
123.04396	2.2
124.05225	0.7
127.03032	0.5
127.03910	1.9
128.06158	0.9
129.06993	6.1
131.04918	2.8
131.08571	3.4
133.06479	1.5
133.10092	0.6
135.04428	0.5
135.08051	1.6
135.11612	0.6
137.05975	4.3
137.09584	0.7
138.06680	0.5
141.07016	1.2
145.02811	2.6
145.04930	1.6
145.06464	1.6
147.04372	2.1
147.08008	0.6
148.05179	0.7
149.05975	2.5
151.03900	1.2
151.07529	5.9
152.04611	0.6
153.05444	2.9
153.06903	0.6
157.06476	5.5
159.08011	1.9
161.05968	7.9
161.08459	0.5
161.09564	2.7
162.07596	0.9
163.06239	0.7
163.07507	5.3
163.11179	0.6
165.05597	0.7
165.06935	0.5
165.09067	2.9
166.06252	2.2
167.07021	24.2
169.06459	0.8
173.05968	0.9
174.06743	4.4
175.07484	4.8
177.05458	7.1
177.09073	3.8
179.07059	1.2
179.08499	0.9
180.08711	2.7
181.05057	0.8
181.08569	27.0
182.07280	0.7
187.07504	0.6
189.09077	25.0
190.09442	0.6
191.06972	1.8
191.08690	0.7
191.10654	2.1
192.51723	0.5
193.08592	1.3
194.07281	0.8
195.08029	1.9
197.09554	2.5
201.09103	1.8
203.10762	0.8
207.08247	1.2
207.10068	4.4
210.06775	0.7
211.16927	0.7
212.08345	0.6
219.08058	1.4
219.10118	19.4
221.05969	1.3
222.06558	0.6
223.07629	1.3
223.11220	1.0
225.09082	3.8
227.06934	1.0
227.12724	0.6
229.12305	1.0
233.09470	0.8
235.07480	0.7
236.08345	1.0
237.09036	0.7
239.06909	0.7
239.10568	0.8
240.07895	0.7
241.08708	0.8
242.09373	0.5
247.07610	0.8
249.11287	0.6
251.07059	1.3
251.10638	1.1
253.08611	3.8
255.06458	0.8
255.10202	1.0
255.29865	0.5
257.11703	4.5
265.08716	1.2
267.06927	0.5
267.10037	1.0
269.07852	0.8
270.08899	0.8
279.10043	1.2
283.09644	2.8
283.13257	2.6
285.11148	9.2
297.11078	0.8
299.09229	0.9
299.12759	1.6
302.11536	1.6
303.04959	1.8
304.05347	4.6
305.05521	3.7
305.13739	1.0
306.05804	3.7
311.12582	2.3
314.11456	0.8
315.12256	5.5
317.13815	8.2
327.12088	0.5
329.13843	1.7
331.15436	2.2
339.10547	0.9
343.15326	16.8
361.16403	100.0
362.16724	1.7
365.86990	0.5
373.16647	1.4
424.52054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22231	0.3
53.03927	1.2
55.01851	0.6
57.03419	0.9
61.02883	0.3
61.22127	0.3
63.61383	0.2
65.03926	2.6
67.01852	1.8
67.05484	0.3
68.99776	1.0
69.03413	2.7
69.29225	2.9
71.04971	0.6
73.02919	0.3
74.32563	0.3
79.05487	0.3
81.03402	7.5
81.07034	0.5
82.57943	0.2
85.02889	4.3
86.09677	0.8
91.05450	0.7
91.29111	0.3
93.03355	0.3
93.07018	0.4
95.04951	5.3
95.08567	0.5
97.02872	6.6
97.06441	0.3
99.04446	1.4
100.68845	0.2
105.03359	1.5
106.07376	0.4
107.04922	0.6
109.02200	0.5
109.02860	4.0
111.04432	2.7
117.06901	0.2
119.04939	0.5
121.02845	100.0
121.10088	0.4
122.03196	0.9
123.04391	1.0
125.00019	0.5
125.02333	0.5
127.03882	2.4
135.04416	0.8
135.29596	0.2
137.02309	0.8
137.05952	0.9
139.03876	16.9
139.23637	0.3
145.02820	0.6
145.04918	1.4
147.04366	0.5
151.03835	0.4
153.01801	19.3
163.03888	5.1
165.01807	0.6
167.07028	0.3
171.02864	11.5
177.01807	0.8
179.03433	0.7
181.04913	0.3
183.02856	0.8
184.07301	3.5
185.07649	0.3
187.03952	0.4
191.03337	1.2
195.02858	9.4
211.12271	0.6
215.03424	0.6
217.01285	0.3
219.02925	1.0
223.06035	0.5
243.02953	0.8
249.07565	0.4
261.03860	2.5
265.07022	11.9
271.05954	0.3
279.04791	0.3
283.08096	5.2
289.07016	17.5
301.07181	0.3
313.06958	1.7
331.08075	3.4
355.07846	1.2
379.07974	1.4
397.09100	3.6
417.07886	0.3
457.23978	0.3
571.26593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05496	1.7
57.03176	0.7
57.03429	7.8
59.04988	0.8
61.02921	1.0
62.02382	0.4
65.03928	1.4
67.05492	0.8
69.03420	2.5
69.07053	0.6
71.01347	0.9
71.04986	51.8
71.62801	0.6
73.02905	2.1
75.04472	4.0
79.05473	1.1
81.03400	1.6
81.07035	1.2
81.28751	0.4
83.04979	4.9
85.02895	75.2
85.55455	0.4
86.06060	0.6
87.04448	1.7
91.05472	100.0
93.07036	0.8
95.04961	1.2
95.08602	1.0
97.02898	4.6
97.06479	0.5
99.04439	1.6
101.05972	0.6
103.03929	1.0
103.05485	0.6
105.03408	1.0
105.07026	4.1
107.04903	0.5
107.08578	1.3
109.02857	1.5
109.06483	0.8
109.10177	0.6
111.04441	3.2
118.04144	1.8
119.04910	1.0
119.08571	0.7
121.02859	5.0
121.06490	0.8
121.10150	0.7
123.08118	0.5
124.05190	1.1
127.03936	2.8
129.05467	35.1
130.05765	0.5
131.04855	0.5
131.08586	0.7
132.05565	0.4
133.06473	4.1
133.10132	0.7
135.08061	0.7
137.02246	0.4
137.05920	0.7
137.09615	0.5
139.03897	0.8
145.04955	1.2
145.06421	0.9
145.10136	0.5
146.08136	0.7
147.04417	1.8
147.06502	18.9
150.06749	0.9
151.07475	0.7
161.05986	0.7
161.09578	0.4
163.06049	0.8
163.07513	0.5
164.09186	4.5
165.07777	0.5
165.09076	2.2
167.03371	1.1
175.07457	0.5
177.05408	0.9
184.07344	0.9
193.08594	20.8
245.08113	5.0
253.17888	0.5
255.08702	0.7
265.96567	0.5
273.09683	0.7
283.08038	0.6
287.05612	0.5
309.11676	0.4
326.14160	0.5
354.18576	0.5
386.90945	0.5
446.34631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01857	1.6
57.03441	1.1
58.98742	0.5
59.25883	0.6
61.02919	1.0
67.95340	0.5
69.03425	2.9
69.07046	0.6
69.57125	4.7
73.02912	1.2
79.05489	3.7
79.65222	0.5
81.03413	4.9
84.08109	0.9
85.02899	7.0
87.04449	0.5
87.79620	0.5
91.05489	3.0
93.07018	0.8
95.04961	1.9
97.02908	2.7
99.04433	0.9
103.05457	8.2
105.07027	9.1
107.04949	54.1
107.08579	0.6
109.02892	0.9
110.07189	0.7
115.05460	3.5
117.07007	1.7
119.04980	0.7
120.05727	2.0
120.08083	2.5
121.02879	1.2
121.06511	4.0
123.04421	2.2
124.05177	1.2
124.07573	4.1
124.83455	0.6
127.03903	2.2
131.01851	0.5
131.04903	5.1
133.06474	7.8
135.04462	0.7
135.08044	20.0
136.06151	1.3
137.05966	1.0
138.09093	1.3
142.08670	1.1
145.04942	1.6
145.07599	2.4
147.04387	2.8
149.05988	3.4
151.03784	0.7
152.04712	0.8
154.06229	2.1
161.05960	12.6
163.03859	2.3
163.07532	74.2
166.06252	0.6
166.08659	1.5
167.07031	39.9
168.07347	0.7
169.12608	0.5
173.02992	0.8
177.05490	1.4
180.07722	1.1
181.08577	4.7
185.38646	0.5
187.07675	0.6
193.06863	0.6
193.08582	11.0
195.10156	100.0
211.09645	6.3
213.11171	2.3
215.07053	0.6
221.05048	0.8
223.09573	1.0
269.10120	0.6
278.10544	0.6
291.12219	5.0
333.10159	1.3
373.14938	6.6
429.12543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01857	0.8
55.05497	1.9
57.03434	4.9
61.02919	0.9
65.03929	1.4
67.05479	1.4
69.03410	2.8
69.07041	0.6
69.14882	0.5
69.45049	5.3
71.01360	0.7
71.04980	38.2
72.30656	0.7
72.63878	0.5
73.02892	2.6
75.04462	3.0
79.05492	1.0
81.03391	2.2
81.07046	2.8
81.35833	0.6
83.04961	4.7
85.02890	57.6
85.06509	0.5
87.04434	1.5
91.05466	100.0
92.05801	0.8
93.07020	1.9
93.99070	0.6
95.04971	1.4
95.08588	1.5
97.02881	4.4
97.06535	1.0
98.21490	1.3
99.04449	1.9
101.80036	0.6
105.03394	1.8
105.06993	2.1
107.04932	1.4
107.08576	2.4
109.02861	1.8
109.06526	0.9
109.10159	2.7
111.04403	2.9
119.04933	1.0
119.08532	1.3
121.02843	6.3
121.06487	9.6
121.10107	1.5
122.49593	0.6
127.03888	3.1
129.05463	25.9
133.06572	0.6
133.10086	1.3
135.11723	0.7
137.02307	0.8
137.09569	2.0
139.03885	0.8
143.07133	0.6
145.02803	1.6
145.04970	2.4
145.10089	0.8
147.04430	2.5
147.06493	16.0
147.11673	1.3
153.01779	0.6
159.11705	0.8
161.13206	0.8
165.01949	0.8
165.09058	1.5
167.03290	0.9
167.07091	0.7
170.35555	0.6
171.11624	0.8
177.05484	3.8
183.02715	0.6
184.07381	0.6
193.08545	3.6
207.06534	1.2
245.08014	4.9
255.08655	1.1
283.08078	1.7
295.48105	0.7
391.08002	0.8
407.18381	1.0
408.18958	1.7
499.31113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40395	0.6
53.03934	2.7
55.01869	2.2
57.03432	3.6
58.91625	0.5
60.08170	0.7
61.02920	6.9
65.03934	1.3
69.03423	12.3
69.41490	5.8
71.01346	0.6
71.04983	2.2
73.02901	2.8
74.04165	0.6
79.05482	4.1
81.03404	5.1
81.07029	1.1
82.65927	0.6
83.04979	0.7
85.02896	75.7
86.09698	3.0
87.04462	1.6
91.03967	5.0
91.05471	100.0
93.07010	0.8
95.04965	2.0
97.02883	17.9
99.04453	3.5
107.04943	96.6
108.08088	0.8
109.02868	6.2
115.03884	1.4
121.02867	0.8
123.04449	1.3
124.07587	0.8
124.99999	1.6
127.03906	21.0
138.09132	0.7
145.04942	40.2
154.08606	2.1
163.06007	15.3
167.06963	0.7
172.03889	2.3
184.07312	11.2
196.25517	0.7
204.06529	1.0
229.08553	5.2
252.28485	0.6
307.60608	0.6
310.93234	0.7
325.11652	1.0
353.11340	0.7
385.13931	0.7
410.90668	0.7
420.16931	0.7
506.19202	0.9
538.21826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.5
55.01850	0.7
55.05502	1.8
55.09928	0.4
57.03434	7.4
57.39796	0.5
59.04978	0.8
61.02937	1.2
65.03929	2.1
67.05493	0.9
69.03416	3.4
70.93832	0.6
70.94195	1.0
71.01327	0.8
71.04984	47.6
73.02900	2.5
75.04461	4.0
75.92926	0.5
79.05470	0.7
81.03404	1.9
81.07061	1.2
83.04980	5.1
85.02892	66.7
87.04453	1.9
89.31972	0.5
91.05467	100.0
92.05823	0.8
93.07004	0.8
95.04969	0.8
95.08601	0.9
97.02877	4.4
97.10156	1.1
99.04432	1.1
101.05968	0.8
103.03934	1.1
105.07009	2.1
107.04946	1.3
107.08547	1.2
109.02865	1.0
109.10139	0.9
111.04418	2.9
119.08569	1.0
121.06465	0.6
121.10114	0.6
123.11651	0.7
125.09597	1.1
127.03893	3.7
129.05467	26.9
133.06418	0.5
135.04395	0.5
136.53241	0.4
137.05917	0.8
137.09579	0.5
145.04970	2.8
147.04442	1.0
147.06500	13.0
149.09583	0.5
151.03854	0.7
161.05981	1.0
163.05962	0.9
163.07408	0.6
163.11121	0.7
164.09152	0.6
165.09143	0.5
167.03360	1.3
167.07001	1.4
175.07474	0.8
177.05333	0.4
177.09045	3.1
181.08545	0.9
189.09100	0.5
193.08517	1.4
207.06232	0.5
211.16853	1.0
221.11665	0.6
225.07359	0.6
227.07076	0.5
229.17867	0.6
231.08661	0.5
245.08109	4.3
247.05969	1.2
255.08511	0.9
265.06894	0.8
269.08017	2.4
273.09491	0.6
304.05096	0.7
311.08957	2.0
319.09610	0.6
319.22681	0.6
323.08850	0.7
326.65512	0.5
335.08942	0.5
337.10556	3.2
337.23663	1.9
355.11530	2.2
358.30493	0.5
361.16302	3.4
373.12790	2.9
389.12036	1.3
470.42950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
53.03944	2.0
55.01854	0.5
55.05492	0.8
55.91902	0.3
57.03424	0.5
58.34888	0.3
60.48305	0.3
67.01846	1.1
67.05486	1.1
68.99776	0.8
69.03410	1.2
69.07046	0.8
70.11171	1.4
71.04976	0.6
77.03913	0.7
79.05482	2.6
81.03412	2.0
81.07039	1.6
83.04944	0.5
83.08603	0.3
85.02891	1.3
86.09679	1.2
91.05464	1.2
92.02627	1.1
93.07033	1.6
95.04957	4.5
95.08585	1.1
97.02870	0.7
97.35496	0.3
99.04469	0.3
99.93266	0.3
104.10746	0.4
105.03376	0.8
105.04477	0.8
105.07020	1.4
107.04947	0.9
107.08589	1.3
109.02876	0.6
109.06525	0.9
109.10098	0.7
119.04894	0.6
119.08552	1.0
121.02840	0.7
121.06504	1.0
121.10130	0.9
123.04422	0.7
123.08084	0.4
123.11691	0.5
125.00006	0.7
125.02315	0.3
125.09594	0.7
126.60841	0.3
127.03927	0.7
127.11145	0.4
131.08577	0.8
133.10100	1.0
135.04396	100.0
136.04814	0.7
137.09573	0.4
139.03885	0.4
145.10104	0.9
146.06038	0.8
147.04391	2.5
147.11647	0.4
149.06044	0.4
149.09680	0.4
151.03870	0.5
153.01804	10.2
153.02960	0.6
153.05437	7.6
159.11661	0.4
161.09677	0.4
161.29617	0.3
163.03883	0.4
163.11147	0.3
165.01857	0.3
165.12698	0.3
167.07027	0.6
171.02861	11.7
171.11610	0.4
171.18275	0.3
177.05411	0.9
179.03323	0.4
184.07335	3.0
185.07739	0.4
195.02856	3.0
197.08119	0.6
219.02913	0.4
261.04025	0.5
264.12408	0.3
273.07547	10.4
279.08420	0.4
297.09705	0.5
315.08609	1.4
407.29846	0.4
551.30511	0.4
569.29791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01871	4.3
55.05502	0.6
57.03422	1.3
61.02908	1.3
67.01859	0.5
67.05490	0.7
69.03417	8.3
69.50090	4.0
71.04987	4.5
73.34834	0.5
75.75226	0.4
81.03405	24.0
81.07014	0.7
83.01310	0.5
85.02891	4.6
91.05460	0.7
95.08639	0.6
97.02876	12.1
98.21468	0.9
99.04438	26.6
103.03899	2.7
109.02862	70.8
109.10157	1.1
115.03901	12.7
127.03895	100.0
127.11201	0.6
139.03906	0.7
145.04945	4.4
147.04359	1.2
163.03905	0.5
169.03510	0.9
169.04927	14.1
169.06345	0.8
169.12186	0.9
172.29265	0.4
184.07310	0.5
187.05983	41.5
211.16922	2.1
215.45377	0.5
229.07043	20.6
229.17937	7.2
247.08096	36.8
287.05313	0.6
289.09171	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.0
55.05494	10.8
56.02079	3.8
56.06678	3.6
57.07067	21.7
58.73705	3.6
61.97675	3.8
64.24582	4.1
65.80720	4.2
67.05482	18.8
69.07040	18.4
70.06578	10.3
71.08609	4.3
71.37931	7.5
72.86951	3.9
74.79487	4.0
79.05469	20.0
81.07044	43.3
81.14039	3.8
83.04934	4.7
83.08628	6.2
85.06538	5.9
85.10157	5.4
88.07613	18.9
91.05457	40.5
93.07023	47.9
95.04942	39.2
95.08595	23.7
102.09148	11.8
103.05437	4.7
105.07013	75.6
107.08549	35.9
109.06477	4.7
109.10126	18.1
112.23483	3.9
117.06964	21.5
117.99483	3.9
119.08549	93.1
119.09341	7.2
120.09351	5.9
121.10130	27.7
123.08027	17.7
123.11673	8.8
128.06200	4.0
129.06975	14.7
130.07744	8.1
131.08551	45.5
132.09320	6.9
133.10100	58.3
134.10901	7.2
135.08035	7.4
135.11676	20.3
137.09619	4.9
138.10385	8.2
141.06938	6.1
142.07762	22.1
143.08553	49.8
144.09309	11.6
145.10095	76.6
146.10757	5.0
147.07956	4.0
147.11649	23.7
155.08505	14.4
156.09277	18.2
157.10106	46.0
158.10805	9.9
159.11665	40.3
161.09642	5.0
161.13214	11.4
167.08569	8.8
169.10136	26.5
170.10818	8.6
171.11647	36.1
172.12411	4.8
173.13226	24.3
175.14792	19.1
179.08604	6.8
181.10103	11.0
182.10864	9.2
183.11639	24.1
184.12466	7.5
185.11823	4.3
185.13171	24.0
186.14012	7.3
187.14774	13.8
191.14203	10.6
193.10118	10.2
194.10814	5.6
195.11638	16.8
196.12457	5.6
197.13272	22.2
199.14758	8.8
201.16396	9.9
207.11668	10.6
209.13213	21.9
211.14807	14.2
212.15436	4.2
213.16339	5.2
217.15880	5.3
221.13322	4.3
222.13831	7.0
223.14796	9.5
224.15379	5.1
225.16351	8.1
226.17262	4.5
235.14687	6.6
237.16286	9.2
247.14790	5.6
263.17990	5.7
265.16830	5.3
265.19400	4.7
277.19485	4.7
283.26196	13.7
284.29474	25.7
293.92636	4.6
311.29358	25.1
312.32507	12.3
338.25897	52.1
351.27008	4.6
430.32159	15.6
476.36191	33.8
568.42853	48.5
568.56482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.5
55.05511	2.1
57.03411	3.5
61.02900	4.4
67.05473	2.5
69.03421	10.0
69.07045	2.8
71.04965	5.4
71.62411	2.0
71.62833	1.8
73.02907	1.7
79.05451	5.8
81.03393	12.6
81.07024	4.6
83.04948	3.8
85.02892	16.0
85.06512	1.8
91.05448	4.0
93.07014	6.9
94.04148	2.4
95.04929	1.9
95.08573	3.1
97.02870	5.7
97.06515	2.5
99.04427	14.5
103.05429	5.2
105.06998	13.8
107.04932	10.8
107.08572	6.6
109.02883	3.3
109.06507	4.4
109.10114	2.1
111.04387	3.4
111.08087	2.0
115.05397	4.6
117.06992	12.2
117.73465	1.7
119.08524	4.7
121.06496	2.7
121.10114	2.3
122.03622	2.4
123.04395	2.4
123.08060	2.2
123.11638	2.3
125.05968	3.0
127.03864	5.1
128.06210	2.9
129.06970	5.6
131.04890	4.8
131.08516	3.6
133.06458	2.9
133.10081	17.2
135.08031	3.2
136.07555	2.1
137.05952	74.6
141.06914	2.5
143.04897	7.2
144.05637	3.6
145.05113	3.1
145.06435	23.5
145.10075	2.1
146.07132	2.5
147.04381	2.7
147.11618	1.7
151.03873	2.3
151.07515	2.9
153.05487	2.2
155.06030	2.4
156.05595	3.6
157.06459	5.0
159.08000	5.3
160.05174	12.0
161.05971	5.8
161.09570	23.4
163.03818	2.7
163.07446	2.8
163.11186	9.5
165.12698	1.9
167.07001	35.0
172.05035	1.8
173.05956	47.5
174.06543	2.0
175.07509	100.0
177.05392	3.4
179.10661	9.2
180.08543	2.4
187.07478	38.2
187.09103	2.2
189.09082	15.9
190.06201	18.3
191.06956	2.7
193.08467	2.0
203.06969	5.3
205.08556	89.4
207.10257	7.8
207.11815	1.6
209.15338	5.4
212.06940	1.7
217.08559	34.3
219.10054	3.7
221.09625	2.9
225.11162	8.1
233.09523	3.2
235.09612	47.0
241.08591	2.4
247.09595	10.2
261.09113	3.6
263.06943	2.5
265.10669	37.6
269.07983	3.4
269.17606	2.0
277.08575	3.1
278.09433	2.9
285.07501	3.6
287.05365	2.1
293.11719	3.8
300.09805	5.7
301.10721	4.3
303.04956	6.2
304.05243	7.1
309.11133	5.2
321.11078	6.5
339.12131	2.3
341.13892	8.5
351.14273	6.2
353.13632	16.3
353.23233	2.3
369.15604	3.8
371.14758	32.0
467.13748	1.8
568.21387	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
53.71795	1.3
55.05498	10.4
57.07058	7.7
59.04984	2.0
65.03921	1.7
65.33086	1.2
67.05488	15.7
69.03422	3.0
69.07059	12.7
69.37734	5.0
69.38159	6.2
71.22111	1.1
77.03880	1.5
79.05475	22.2
80.06268	2.3
81.07037	33.0
83.04961	3.3
83.08607	6.1
85.06528	3.9
91.05462	38.7
92.06261	2.2
93.07025	51.0
93.07617	2.7
94.07819	3.0
95.04946	36.0
95.08587	27.8
103.05472	1.9
105.04452	1.3
105.07005	85.3
106.07796	4.4
107.08572	40.5
107.09283	2.5
108.09349	2.8
109.06493	5.4
109.10132	23.5
115.05438	5.0
117.06991	20.3
118.07798	3.1
119.08555	100.0
120.09405	9.8
121.06471	2.8
121.10114	27.8
123.08033	15.2
123.11667	6.4
125.09597	2.2
128.06183	7.9
129.06975	17.0
130.07742	8.3
131.08540	48.3
132.09341	13.2
133.06490	1.3
133.10104	56.4
134.10913	8.7
135.08029	5.0
135.11667	19.3
136.08768	1.5
137.09578	5.9
138.10356	11.2
141.06960	6.3
142.07753	15.0
143.08531	39.9
144.09331	16.1
145.10092	85.2
146.10844	6.1
147.08003	1.9
147.11652	27.6
148.12448	1.4
149.09616	3.9
149.13235	4.8
151.11157	4.4
153.06859	1.4
154.07764	2.7
155.08516	14.9
156.09293	18.4
157.10098	46.8
158.10915	11.7
159.08041	2.9
159.11658	40.5
160.12431	3.2
161.09573	7.0
161.13242	6.3
163.11086	2.4
163.14761	1.2
165.06998	3.7
166.07771	2.0
167.08533	8.4
168.09271	6.4
169.10081	25.6
170.10849	8.7
171.11655	33.2
172.12392	6.6
173.09563	1.3
173.13216	28.7
173.14655	1.8
174.14000	2.0
175.11183	2.5
175.14796	20.0
175.16235	1.7
177.12735	5.7
179.08527	9.1
180.09349	4.1
181.10075	14.9
182.10855	7.9
183.11656	27.0
184.12416	5.5
185.13213	27.9
186.13976	7.8
187.14772	11.7
189.12692	3.7
189.16376	1.5
191.14224	10.5
192.09328	3.2
192.15031	4.0
193.10059	7.7
193.15916	2.5
194.10840	7.6
195.11656	16.9
196.12430	9.9
197.13217	27.6
198.13966	6.1
199.14771	11.3
200.15579	2.8
201.12720	3.3
201.16345	9.1
203.14317	3.6
204.15210	2.1
205.10098	1.2
205.15678	1.2
206.10930	3.0
207.11647	9.1
208.12457	5.7
209.13217	29.1
210.14024	4.9
211.14738	16.6
212.15590	3.4
213.16411	5.2
215.14380	2.0
217.15828	6.2
218.10806	1.2
219.11627	2.6
219.17442	3.4
220.12407	3.5
221.13185	9.9
222.13913	2.8
223.14777	12.4
224.15601	4.9
225.16368	9.1
226.17233	3.5
227.14340	2.9
227.17935	3.4
229.15819	2.8
230.16716	1.4
231.11774	1.6
231.17325	2.3
232.12381	1.5
233.13179	2.7
234.13965	1.5
235.14787	9.1
237.16313	8.5
238.17146	1.9
239.17892	6.7
241.15903	1.6
241.19513	4.6
245.13289	2.0
246.13936	1.7
246.19673	1.7
247.14763	3.8
249.16400	7.0
250.16788	1.5
251.17986	3.2
252.18698	2.3
253.19508	3.4
255.17545	1.8
257.19067	3.9
258.19714	1.5
259.20612	3.7
260.15689	1.3
261.16370	3.9
263.17908	4.8
265.19290	7.1
267.21054	2.9
270.19781	1.8
272.21487	2.1
273.16217	1.6
275.18100	2.3
277.19455	5.1
279.20782	1.8
281.18839	1.4
283.20544	3.2
284.29587	1.9
285.22049	3.1
289.19537	1.3
291.20911	2.3
296.21161	2.0
297.22162	3.7
305.22589	2.9
319.24417	1.8
323.23590	6.9
324.24594	1.8
331.24161	1.6
336.24463	1.3
337.25235	3.6
338.25952	61.7
339.26654	2.4
347.23633	1.4
349.25098	2.3
351.26852	2.6
362.26089	1.6
373.24716	1.2
375.26987	2.7
415.29965	3.3
420.30042	3.5
429.31488	1.5
430.32251	21.3
458.35388	2.5
476.36414	34.6
477.62555	1.2
488.05551	1.3
489.37210	1.8
535.80127	1.3
550.41937	1.6
568.42615	51.6
568.56683	4.9
569.43091	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	568.0219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56898	0.7
57.77604	0.8
61.88180	0.9
65.11186	0.9
69.47228	6.9
79.50410	0.8
100.55814	0.7
141.40436	0.8
151.73358	0.8
213.62700	0.8
234.99965	4.8
236.00085	2.8
236.99799	1.3
240.99049	1.7
241.99184	1.4
242.36575	0.8
253.01012	1.7
254.01131	1.4
258.99942	16.2
259.02405	1.2
260.00046	14.3
260.99893	3.3
261.03070	2.8
262.03226	1.0
264.99002	2.8
265.99176	2.5
277.01010	22.9
278.01123	21.1
279.00882	3.0
280.01227	1.0
282.99930	48.1
284.00046	50.2
284.99786	8.4
301.00995	94.9
302.01114	96.7
303.00830	17.7
304.01071	1.6
316.99091	1.5
317.99045	1.2
319.02057	5.9
320.02219	6.8
321.01968	1.2
324.02673	3.1
325.02750	2.8
343.02948	0.9
359.00198	2.4
360.00354	1.5
360.99799	1.1
364.99243	1.1
383.00333	1.2
384.00397	1.5
401.01260	11.1
402.01331	12.7
403.00821	4.7
407.00266	2.5
407.99945	5.7
409.00143	1.1
425.01175	9.1
426.01202	25.9
427.00986	4.5
428.01633	1.1
443.02173	35.6
444.02301	81.2
445.02023	14.3
446.02310	2.3
459.96942	1.1
466.03683	1.8
467.03867	6.2
468.03052	1.7
483.98141	0.9
486.04489	1.1
498.98395	2.0
499.98773	1.6
500.98279	1.4
501.98154	4.1
502.98407	1.2
507.49924	1.1
508.00372	3.0
508.50259	3.4
516.50494	2.9
517.00684	3.3
517.51019	1.8
518.01550	1.3
525.01050	2.6
526.01184	4.4
527.01312	2.0
537.49799	2.4
537.99695	1.6
538.49188	2.0
541.99286	1.2
543.99280	2.9
546.99896	2.6
547.82001	0.9
549.00958	1.1
550.01276	47.0
551.00806	7.2
568.02411	100.0
569.02124	14.6
585.00635	0.9
586.00305	6.3
591.03833	6.6
592.03424	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.8
55.05494	1.4
55.64630	1.0
57.03415	3.0
58.51538	1.1
67.05483	3.2
69.03410	3.1
69.73304	7.5
71.04984	2.3
73.02887	1.7
78.04716	1.7
79.05466	7.6
81.03406	29.2
81.07036	4.2
83.04964	2.0
83.08545	1.0
83.58685	0.9
85.02879	3.9
91.05473	7.3
93.07027	3.7
95.04935	5.0
95.08593	3.4
97.02906	1.3
97.06509	1.8
100.11227	1.5
103.05429	4.2
105.03358	1.8
105.06997	6.0
106.04146	1.5
107.04937	16.5
107.08549	2.8
109.06474	1.9
109.10146	2.3
111.91528	1.2
114.09164	1.1
115.05402	7.2
117.07001	11.1
119.04910	4.9
119.08553	2.4
121.06481	4.0
121.10125	1.7
122.10466	1.2
123.04427	7.9
124.05199	3.6
125.05946	2.3
125.09599	1.4
127.03912	1.9
129.06963	3.5
131.04868	3.7
131.08565	6.3
132.05702	2.0
133.06435	3.8
133.10091	2.4
135.04355	1.5
137.05942	12.0
137.09535	1.2
140.04558	1.5
141.06969	3.5
143.04889	1.8
143.10646	2.5
144.05676	4.7
145.02821	1.5
145.06456	27.5
147.04390	11.0
148.04779	2.4
149.05969	3.0
151.03827	2.2
151.07507	3.1
152.04616	3.8
153.05452	4.6
154.06233	2.7
155.05951	2.8
155.07030	2.8
156.05647	8.9
157.06445	1.9
158.07164	1.4
159.08023	11.7
160.05165	1.7
161.05974	9.0
163.03873	2.1
163.07487	3.3
165.05432	2.0
165.12814	1.2
166.06248	1.4
167.07010	100.0
167.14281	2.2
168.14668	1.2
169.06403	1.5
172.05180	1.3
173.05951	37.5
174.06645	1.9
175.07512	3.4
177.05441	9.9
178.06194	2.1
179.06979	3.9
181.04929	5.4
181.08589	5.0
182.15344	1.8
183.06544	3.0
184.05083	2.5
184.07321	6.4
187.07510	12.5
189.05385	2.7
190.06203	22.3
190.07750	0.8
191.07001	8.0
193.08514	6.3
195.06519	3.6
197.08055	1.5
199.07489	2.4
202.06178	5.2
203.06940	3.8
204.07739	2.5
205.08565	36.9
206.08995	1.1
207.06459	5.4
207.10129	3.1
208.05066	1.8
209.08034	7.2
210.14886	1.3
215.06946	1.8
216.07689	2.1
217.08553	25.7
219.08070	3.0
219.10167	7.2
219.17458	1.7
220.07199	9.6
220.17699	1.7
223.09596	1.4
231.07909	1.6
233.07854	1.7
235.07437	2.5
235.09575	14.4
236.04733	1.6
241.08458	2.7
241.10706	7.8
247.07420	2.6
247.09613	27.7
248.08174	2.9
255.06534	1.7
256.07120	1.8
259.09567	1.6
261.08981	1.6
261.11383	1.6
263.06805	1.8
264.07687	2.5
265.10840	2.7
269.08014	7.2
271.09534	3.1
277.08490	2.3
278.09201	1.2
279.12354	14.3
281.07715	1.2
282.08780	2.1
285.07535	2.1
286.08157	1.7
290.09192	1.9
291.09531	2.1
291.12665	8.1
293.08118	2.4
293.14014	1.9
295.09766	2.6
299.09045	2.3
301.07285	1.8
301.10812	3.1
303.04977	2.2
305.07968	1.8
306.08731	1.2
307.09515	3.4
308.10254	3.1
309.13278	3.7
310.08258	1.4
311.09100	1.3
313.10904	1.8
315.08533	21.0
319.09543	2.7
321.13312	3.9
323.09149	2.1
323.12738	3.9
329.10046	7.8
330.10895	17.4
331.11594	3.4
335.08875	1.4
336.09818	3.1
337.10825	2.7
339.11780	1.8
339.14648	2.8
343.11722	5.0
351.12103	9.2
352.12781	1.8
353.10172	2.7
355.11380	2.1
356.12411	1.9
357.12958	1.5
367.11591	2.6
368.12457	3.2
369.13312	3.2
371.14771	5.3
373.12671	2.4
377.35699	1.1
382.14063	2.2
383.14771	13.9
387.14017	1.4
399.14371	1.9
401.15906	8.9
404.14490	18.5
405.15033	2.0
417.15601	1.6
425.15942	1.8
442.16296	1.4
443.16998	3.3
445.18231	2.9
447.16339	2.0
457.18466	13.8
475.19568	17.4
478.18341	15.8
517.20557	2.2
531.22278	7.9
549.23230	18.0
567.19922	1.5
567.42651	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1338
Annotation	Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
50.73048	0.2
53.03916	0.2
54.08771	0.1
55.01868	0.4
57.03188	0.3
57.03433	3.7
61.02916	1.0
67.05474	0.2
67.12913	0.2
68.99785	0.5
69.03429	4.1
69.55510	0.4
69.55922	1.2
71.01334	0.6
73.02910	8.6
79.05469	0.2
81.03404	0.6
83.04937	0.3
85.02895	2.3
89.00338	0.2
95.04964	0.3
97.02882	10.0
106.46729	0.2
109.02851	0.4
111.00777	0.5
111.04417	0.4
115.03919	3.3
121.02852	0.8
123.04395	0.3
127.03846	0.4
133.04961	0.6
137.02316	2.8
137.05949	0.3
139.03896	0.3
149.02347	0.2
153.01801	2.5
157.04965	0.2
161.05943	0.3
163.03889	0.6
165.01851	1.5
167.07047	0.2
173.06009	0.2
175.81902	0.2
181.04956	0.3
183.02875	0.7
187.03928	0.3
195.02905	0.2
201.05473	1.3
202.31898	0.2
205.04823	0.3
211.06001	1.6
219.02986	0.2
229.04959	3.5
229.07018	0.5
233.08066	0.3
247.05933	0.5
257.04407	2.5
274.04709	0.6
285.03915	1.1
287.05463	0.7
288.05875	0.6
289.06113	0.5
303.04953	100.0
304.05261	2.5
315.04916	0.8
327.04779	0.3
329.06421	0.2
341.50507	0.2
345.06058	1.2
369.06058	0.7
381.05936	0.3
399.06927	1.1
417.08115	0.5
435.09177	1.9
436.09448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1333
Annotation	Quercetin 3-apiosyl-(1->2)-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
51.52335	0.4
55.01854	1.2
57.03425	9.6
59.04998	0.5
60.24455	0.5
61.02928	2.2
68.99814	0.6
69.03075	0.6
69.03418	8.3
70.06051	1.1
70.06466	2.2
70.82383	0.5
71.01329	2.1
73.02903	14.4
79.37459	0.4
81.03399	0.8
83.04974	0.8
84.19444	0.5
85.02886	9.6
87.04473	0.5
97.02871	15.1
98.21481	0.6
104.08685	0.5
108.28488	0.5
111.00772	0.7
115.03915	9.8
121.02846	1.3
123.04379	0.7
127.03892	1.0
133.04962	4.3
135.04390	0.6
137.02307	3.3
139.03853	2.4
153.01770	3.0
157.04945	2.0
157.25194	0.5
165.01802	2.0
173.05934	0.7
181.04973	0.6
201.05423	1.5
211.05882	2.5
229.04924	3.2
229.07066	1.8
250.02829	0.5
257.04449	3.1
274.04678	0.9
285.03989	1.3
303.04941	100.0
304.05157	1.2
315.04965	1.1
345.05850	0.9
369.05869	1.1
372.81262	0.6
399.07004	1.5
435.09369	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.2
55.05506	10.7
57.07049	4.8
59.04978	3.1
67.05492	17.7
68.19367	1.6
69.07053	25.3
69.56049	9.3
69.56477	5.5
71.04979	10.7
79.05484	9.9
81.07038	45.3
82.24351	1.8
83.04946	2.0
83.08616	10.7
85.06514	2.2
91.05463	16.5
93.07027	35.2
95.04971	3.9
95.08590	62.3
97.06500	7.0
97.10135	7.1
99.08076	9.7
105.07009	53.2
107.08574	44.9
109.10135	58.5
111.08033	2.5
111.11687	2.5
117.07005	11.1
119.08561	54.3
121.06467	2.1
121.10115	39.9
123.08018	4.4
123.11685	26.9
125.09600	7.6
127.11163	32.1
128.06215	2.2
129.06978	12.9
131.08543	36.9
133.10104	51.3
135.11658	37.1
137.09584	2.0
137.12274	1.7
137.13237	11.2
142.07748	6.1
143.08524	26.3
143.10623	5.3
144.09332	2.6
145.10094	64.0
147.11656	44.7
147.88379	1.8
149.09613	4.2
149.13199	15.4
151.14835	3.3
155.08501	6.8
156.09290	2.9
157.10095	44.1
158.10822	5.3
159.11667	56.3
161.09560	4.6
161.13234	36.1
163.11180	3.9
163.14786	11.7
169.10127	8.7
170.10869	2.6
171.11642	28.8
173.09599	2.4
173.13245	30.2
175.11110	3.2
175.14836	16.6
177.12639	2.5
177.16316	5.8
183.11659	8.0
185.09561	2.9
185.13213	24.0
187.11160	3.0
187.14795	28.6
189.12675	4.6
189.16354	18.0
191.10640	4.1
191.14200	2.2
191.17918	9.3
193.12303	3.0
195.11655	3.7
197.13264	11.0
199.14783	23.6
201.12704	2.8
201.16344	29.5
203.10593	3.0
203.14253	5.9
203.17929	21.0
205.12076	3.7
205.15846	4.8
205.19452	4.6
207.17381	3.6
209.11566	3.7
211.14812	4.8
213.12843	2.2
213.16266	4.6
215.14331	5.1
215.17813	10.0
217.12170	5.5
217.15891	6.5
217.19498	6.5
219.13782	3.5
219.17337	5.2
221.18962	6.1
225.16283	4.9
229.15649	2.1
229.19310	3.6
231.13725	14.8
231.21098	2.7
233.15282	5.9
233.19003	5.0
237.16225	2.1
239.17897	4.1
241.19485	2.7
243.20984	2.4
245.15291	7.7
247.16872	2.9
247.20581	5.4
249.14717	3.7
261.21988	3.0
263.16278	4.1
271.62228	1.8
277.19479	2.1
279.21115	2.9
281.22473	2.4
297.21954	2.3
299.23438	2.5
311.23636	2.1
321.25751	2.4
327.23077	2.3
351.23230	2.2
355.26263	3.9
357.27640	2.2
367.26028	2.4
373.27322	2.8
379.29794	4.7
389.32050	10.4
395.29486	4.3
407.33014	65.6
409.34637	5.8
417.31351	7.1
425.34106	76.6
435.32507	81.9
443.34961	4.9
453.33606	100.0
471.34702	31.8
489.35599	6.7
566.40369	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.05498	12.8
57.03420	1.1
57.07055	6.2
59.04989	3.1
65.03936	2.4
67.05495	27.4
67.28634	0.9
69.06705	2.0
69.07055	22.7
69.07404	2.0
69.56185	2.9
69.56606	4.9
70.94820	1.0
71.04983	14.8
71.08643	1.4
79.05479	16.3
81.03430	1.1
81.07043	56.1
83.08602	12.9
85.06526	1.8
91.05460	20.6
93.07025	45.3
93.07616	2.3
95.04972	5.3
95.08589	73.4
96.08923	1.2
97.06506	7.9
97.10167	6.9
98.20820	1.5
99.08067	11.3
103.05473	1.4
105.07014	67.1
107.08573	56.9
109.06509	2.7
109.10136	62.0
110.10476	1.3
111.08073	3.7
111.11674	2.9
113.09602	2.8
115.05409	1.7
115.07560	1.8
117.07003	13.0
119.08562	54.2
121.06478	2.4
121.10118	46.9
123.08038	3.0
123.11685	30.6
123.12575	2.2
125.09608	7.4
127.11172	37.5
128.06206	4.1
129.06964	13.9
129.07771	1.5
130.07787	2.1
131.08543	44.7
132.09364	1.8
132.10361	1.0
133.06454	1.0
133.10107	60.8
135.08049	1.5
135.11670	47.6
137.09619	2.0
137.13226	10.4
141.06979	2.9
142.07724	8.0
143.08539	30.3
143.10658	6.8
144.09317	3.3
145.10095	66.7
146.10831	1.1
147.08040	3.2
147.11659	51.1
149.06003	1.9
149.09639	4.9
149.13235	22.7
151.11220	1.9
151.14793	2.8
155.08513	9.2
156.09306	3.1
157.10101	45.7
158.10822	3.1
159.08049	3.0
159.11671	66.5
160.08647	1.1
160.12361	1.2
161.09610	4.8
161.13220	39.6
161.14574	2.1
163.11179	5.5
163.14824	10.9
165.12663	1.7
167.08546	1.7
169.10086	9.9
170.10855	2.0
171.11658	29.8
172.12379	1.8
173.09689	2.1
173.13239	36.9
175.11153	6.9
175.14809	18.8
177.09088	1.8
177.12666	3.9
177.16321	7.6
179.08638	1.2
179.14238	1.7
179.17978	1.8
181.10069	2.8
182.10786	1.3
183.11668	8.9
184.12491	1.1
185.09636	3.5
185.13225	26.3
187.11191	3.7
187.14778	34.4
189.12727	5.1
189.16339	17.1
191.10646	4.0
191.14244	3.2
191.17960	9.7
193.12218	2.5
193.19528	2.8
195.10129	1.2
195.11691	4.3
197.13232	10.8
199.11165	2.9
199.14767	19.7
201.12778	3.7
201.16354	30.8
203.10664	3.9
203.14331	5.6
203.17923	23.4
203.19711	1.7
205.12236	4.6
205.15775	6.7
205.19427	6.3
207.11699	1.3
207.13638	1.8
207.17415	2.8
209.11586	2.6
209.13272	3.7
211.14749	9.2
213.12732	4.0
213.16280	8.1
213.43176	1.0
215.14330	5.5
215.17934	6.9
217.12267	7.6
217.15805	6.8
217.19467	6.2
219.13777	4.7
219.17371	4.8
219.21069	2.5
221.18982	6.7
223.14882	2.7
225.16382	4.3
227.14328	2.8
227.17850	5.1
229.12175	1.2
229.15811	2.6
229.19545	5.7
231.13782	11.3
231.17471	2.2
231.21066	2.8
233.15279	9.8
233.18996	5.7
235.13193	1.2
235.20511	1.3
237.16475	2.4
237.18564	2.0
239.17938	3.4
241.15791	1.4
241.19495	2.9
243.13879	2.0
243.17360	1.3
243.21063	2.5
245.15369	8.8
245.22574	1.8
247.16896	3.7
247.20592	5.7
249.14587	2.2
251.18036	2.0
253.15788	1.2
253.19501	3.3
257.15305	1.3
259.20874	1.2
261.22073	1.2
263.16129	5.0
265.19388	1.9
267.21002	1.4
271.17105	1.3
271.20425	1.2
277.19470	1.1
279.20993	2.9
281.22629	3.2
283.24170	1.7
285.18375	1.4
285.22296	1.2
287.05414	1.6
287.23819	1.2
289.17984	1.1
297.18378	1.5
297.21988	1.4
299.20016	1.6
299.23529	1.6
309.25772	1.6
313.21564	1.5
317.20837	1.3
321.25757	2.9
325.21536	2.5
327.23056	3.0
327.26599	1.5
337.25189	1.9
339.26920	1.6
343.22595	3.2
345.23779	2.3
353.28424	1.3
355.26215	3.4
357.27921	2.7
365.28262	1.6
367.26059	1.9
369.28043	1.2
373.27435	2.1
379.25873	1.5
379.30032	3.3
383.29755	1.2
385.27676	1.3
389.32013	8.7
395.29440	2.4
397.27216	2.5
407.33044	66.6
409.34564	7.2
417.31451	8.3
425.34073	68.7
427.35754	1.8
435.32501	69.1
443.35129	5.6
453.33566	100.0
471.34619	36.7
489.35629	6.6
566.40485	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	566.308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
55.05483	0.4
56.05018	0.5
57.03428	0.4
58.06579	1.9
58.06821	0.2
59.07371	1.7
60.08151	5.7
60.20197	0.1
66.19347	0.1
67.05495	1.0
69.03423	0.2
69.07050	0.6
70.06577	0.3
71.07359	2.3
79.05479	0.4
81.03391	0.5
81.07029	0.7
82.07380	0.2
83.04980	0.2
83.08629	0.4
85.02887	0.4
86.09689	27.9
91.05460	0.5
93.07016	0.7
94.07367	0.2
95.04966	0.4
95.08586	0.5
97.02867	0.3
97.06526	0.4
98.21472	0.4
98.98441	2.1
104.10720	5.8
105.07004	0.6
107.08569	0.4
109.06529	0.2
109.10139	0.8
110.10468	0.2
110.46636	0.1
117.06982	0.1
119.04895	0.2
119.08566	0.2
121.06499	0.2
121.10117	0.3
124.99977	18.4
129.05463	0.3
131.08533	0.2
133.10120	0.4
135.11603	0.2
143.01013	0.4
145.10175	0.4
147.04347	0.4
147.35097	0.2
149.09590	0.2
149.13219	0.3
153.01801	0.3
159.11674	0.2
163.03857	0.2
163.10994	0.1
164.11574	0.2
184.07304	100.0
185.07567	0.2
191.03365	0.7
195.13646	0.2
210.08836	0.9
222.08945	0.2
229.74545	0.2
239.09154	1.0
258.11038	0.3
287.05420	0.7
288.05841	0.8
289.06119	0.2
299.11179	0.2
305.68527	0.2
312.11850	0.3
331.10376	0.2
343.07974	0.2
351.24326	0.2
387.13629	0.3
412.20673	0.4
434.97992	0.2
438.22369	0.5
462.22488	1.2
480.23248	0.6
532.29919	0.3
548.29871	0.7
566.21155	0.5
566.30536	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
51.08049	0.6
53.00335	0.7
53.03941	1.2
55.05499	6.0
57.07058	5.0
59.04988	1.8
62.99913	0.7
65.03915	2.4
67.05492	12.0
69.03415	3.4
69.07049	8.3
71.62738	1.1
73.64533	0.5
75.31274	0.6
75.67906	0.6
77.03922	1.2
79.05476	12.7
81.03410	1.2
81.07043	17.7
83.04953	3.0
83.08601	2.5
85.06529	2.4
91.05462	20.5
93.07024	25.7
95.04945	5.4
95.07959	1.0
95.08585	20.0
97.06501	2.3
103.05441	2.5
105.07006	39.6
107.04865	0.8
107.08568	21.1
109.06493	3.9
109.10133	11.9
111.08056	0.9
115.05456	2.8
116.06225	1.0
117.06991	7.9
119.08554	40.3
121.06470	1.6
121.10112	28.9
123.08041	8.0
123.11700	3.6
125.05957	3.4
125.09612	1.3
128.06174	4.8
128.11931	0.6
129.06979	8.8
130.07753	4.4
131.08539	14.7
133.06516	1.1
133.07523	1.1
133.10100	25.6
135.08023	5.7
135.11652	9.0
137.09572	5.5
139.07492	1.0
139.11165	0.9
141.06927	4.2
142.07758	11.4
143.08536	18.5
143.09648	1.2
144.09311	4.2
145.10088	25.9
147.08023	8.3
147.11647	8.2
149.09584	3.5
149.13217	1.6
151.07524	6.2
151.11166	1.1
152.06273	0.8
153.06941	2.0
154.07776	2.1
155.08507	9.9
156.09334	9.2
157.10098	26.3
158.10837	4.6
159.08038	2.3
159.11656	13.3
161.09621	2.3
161.13251	3.2
163.11136	4.4
165.07019	3.7
165.09077	15.8
166.07747	2.0
167.08513	5.0
167.10651	5.0
168.09312	3.5
169.10091	13.5
170.10905	5.0
171.11653	16.1
173.09634	1.8
173.13219	11.7
175.11182	2.2
175.14774	4.7
177.09120	0.7
178.07727	1.2
179.08543	6.3
180.09229	4.0
181.10091	8.2
181.12199	7.2
182.10861	4.5
183.11658	12.3
184.12437	2.4
185.13213	12.1
187.11159	1.2
187.14749	4.0
189.12686	1.7
191.08493	0.9
191.14288	1.9
192.09309	3.2
193.10092	8.8
193.11867	1.0
194.10846	5.4
195.11656	11.0
196.12500	3.7
197.13210	11.6
197.14952	0.8
198.14037	1.4
199.11157	1.0
199.14769	8.2
201.12622	1.0
201.16380	2.5
203.08577	1.5
203.14240	5.6
204.09296	0.7
205.10092	1.9
206.10860	5.3
207.11694	10.0
207.13805	2.6
208.12410	3.9
209.13202	13.3
209.15079	1.3
210.14035	2.8
211.11247	1.0
211.14771	6.6
212.15337	0.9
213.12842	0.9
213.16396	3.4
215.14206	1.2
216.09477	0.9
217.10117	2.3
218.10951	2.2
219.11594	4.5
220.12460	3.5
221.13229	9.2
221.15369	27.0
222.13971	2.1
223.14742	8.1
224.15538	1.2
225.16342	2.3
229.10039	1.6
230.10872	1.4
231.11646	4.1
232.12524	2.2
233.13229	6.9
233.15387	2.4
234.14018	2.8
235.14784	6.9
236.15471	1.1
237.16415	5.1
239.17831	3.8
241.19382	0.8
243.11781	2.3
244.12466	2.6
245.13184	5.0
246.13994	3.3
247.14790	5.6
247.16986	1.3
248.15514	1.5
249.16281	4.0
251.17813	3.4
253.19487	3.6
255.17508	0.9
257.13138	1.9
258.14053	1.2
259.14719	3.2
260.15521	2.4
261.16351	4.1
262.17197	1.7
263.17871	5.3
265.19440	6.3
269.13043	1.2
269.18964	1.1
271.14752	2.6
272.15530	1.1
273.16251	4.0
274.17184	1.1
275.17822	3.6
277.19424	3.3
279.21008	1.5
281.19131	0.9
283.20468	1.3
285.16360	1.9
287.05432	5.4
287.17725	1.4
287.20419	1.0
288.06201	0.8
288.18710	0.9
289.16284	0.9
289.19415	3.4
291.21033	2.0
296.15567	1.3
297.16162	1.0
299.17535	1.1
301.19427	1.8
303.21097	1.5
310.17465	0.7
313.19083	1.2
315.21078	2.1
316.21918	0.8
317.22739	1.1
328.21869	0.8
329.22598	1.3
331.24066	4.4
335.23575	0.9
339.21243	0.8
343.24115	1.3
357.25580	3.8
359.23602	1.1
365.24414	1.2
369.25781	0.9
385.28885	3.3
407.29752	0.8
473.34064	10.0
485.34024	1.3
491.33594	1.0
509.33923	1.6
523.62231	0.8
547.39233	5.4
565.40302	100.0
566.40826	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.3
53.03944	6.9
55.01867	8.7
55.05254	2.3
55.05504	27.6
57.03431	9.4
57.07063	1.8
59.04990	5.0
63.93892	1.2
65.03934	4.0
67.05498	100.0
69.03424	12.3
69.07059	10.2
69.29932	11.1
69.30339	3.0
71.01331	2.8
71.04980	6.1
77.03894	1.5
79.05482	30.1
81.03407	55.8
81.06573	2.3
81.07047	37.7
83.04980	9.2
83.08612	18.4
85.02892	12.2
85.06047	1.1
85.06541	4.9
86.49177	1.2
87.04448	1.4
91.05474	33.6
93.07037	24.3
95.04958	33.7
95.08602	20.5
96.09843	1.3
97.02880	11.7
97.06519	5.5
97.10162	14.4
98.20673	2.9
99.04467	2.4
99.08083	2.1
103.05466	3.1
105.03397	1.2
105.07021	27.1
106.07327	2.3
107.04947	15.4
107.08590	20.2
108.08902	2.0
109.02869	25.9
109.03573	2.0
109.06515	5.8
109.10142	62.9
110.10461	1.5
111.04411	8.7
111.08065	7.2
113.06039	1.6
115.05457	5.7
115.07560	1.7
117.07003	8.4
119.04948	5.8
119.08571	21.6
121.02871	3.5
121.05685	1.7
121.06480	10.3
121.10149	9.8
123.04407	8.2
123.08077	3.9
123.11652	2.7
125.02322	6.1
125.09604	11.0
127.03918	7.2
128.06255	1.5
129.06993	12.6
131.04884	6.8
131.08556	12.4
133.06491	8.5
133.10110	14.6
135.04404	2.6
135.08066	6.2
135.11671	6.4
137.02328	2.5
137.05943	4.1
137.09621	5.9
141.07021	1.7
142.07773	3.2
143.08572	7.6
145.06471	8.8
145.10085	13.4
147.04382	11.6
147.08038	6.3
147.11703	11.0
149.05975	6.1
149.09631	5.1
149.13258	2.2
151.03915	1.6
151.07480	1.6
151.11124	2.1
154.07838	1.2
155.08566	4.3
155.10634	3.0
157.06490	3.9
157.10088	10.5
159.08105	3.3
159.11707	9.0
161.05942	9.0
161.09634	5.8
161.13211	6.0
163.11205	7.1
165.05544	1.4
165.12784	2.4
167.08548	2.9
169.10054	2.5
171.04422	2.3
171.08118	3.9
171.11650	6.0
173.05930	6.5
173.09630	2.7
173.10274	1.9
173.11755	15.1
173.13255	3.3
174.06775	2.3
175.03914	1.4
175.07571	1.7
175.11182	4.6
175.14922	1.5
177.05580	1.5
177.12714	2.6
181.10069	1.8
181.23338	1.5
183.08049	1.5
183.11705	2.1
185.05995	2.0
185.09558	3.3
185.13258	4.0
187.07530	3.0
187.11177	2.1
187.14799	2.6
189.05464	5.7
189.09378	1.7
189.11227	7.6
189.12714	3.0
189.16475	1.7
191.10704	2.9
193.12238	11.7
195.11700	2.0
199.07671	1.4
199.11147	1.7
199.14857	2.7
200.15265	1.6
203.07057	1.9
203.10683	2.9
203.14326	1.5
205.12227	4.1
207.13895	2.4
211.13110	7.3
213.09183	1.8
213.12874	1.5
217.12204	3.0
223.13179	1.6
227.12781	4.7
229.12224	1.2
229.14311	24.5
231.13841	1.6
235.13188	6.2
245.13794	1.9
247.13290	1.6
249.14906	3.2
255.13832	3.6
259.13373	4.6
259.20743	1.5
261.14725	2.0
263.13016	2.5
265.14661	1.4
267.15964	3.1
271.13293	3.0
273.14813	23.9
281.13727	2.4
283.13303	6.5
285.14886	4.6
287.05457	35.6
287.08371	2.4
288.05765	2.8
289.14337	3.7
291.15817	2.1
299.14914	2.4
301.14307	26.6
303.16092	5.0
313.16727	2.7
319.15317	16.0
336.93060	1.2
337.16434	5.3
347.18619	2.0
355.17880	2.7
357.17050	1.4
375.17978	7.1
393.18863	8.3
406.31992	2.2
421.25894	3.7
424.32797	3.0
433.11349	2.1
434.31409	2.9
435.27289	1.3
437.24496	1.6
439.26923	9.0
452.32535	4.8
455.24060	2.5
470.33621	4.5
487.26569	3.6
505.27887	4.7
511.26935	2.6
517.27948	10.1
529.27954	28.2
547.29004	30.6
547.37036	2.6
565.30084	71.6
566.30280	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1541
Annotation	Kapinnatoside
Peak:m/z	Relative Intensity
52.06092	0.1
55.01867	1.3
57.03178	0.2
57.03432	2.3
59.05001	0.1
61.02918	0.4
64.17378	0.1
66.03498	0.1
68.99789	0.2
69.03427	1.0
70.29585	0.6
71.01357	0.6
71.04965	0.4
73.02912	1.2
85.02894	2.2
87.04447	0.2
95.25507	0.1
97.02862	0.5
103.03917	0.3
105.03368	0.2
111.00788	0.5
115.03912	0.7
121.02853	1.8
123.68461	0.1
129.05498	0.3
133.02826	0.3
133.04939	1.3
135.04382	0.2
137.02306	0.4
145.06477	0.2
147.04369	0.4
153.01807	2.6
154.59079	0.1
157.06435	0.2
165.01781	1.4
183.02885	0.8
185.05945	0.3
213.05434	1.1
231.06500	0.6
241.04921	0.6
258.05157	0.8
259.06064	0.3
269.04263	0.2
287.05457	100.0
288.05771	1.9
433.11273	8.4
434.11597	0.2
479.42023	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1542
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
53.89954	0.3
55.01852	0.6
55.05502	0.4
56.80485	0.3
56.99537	0.3
57.03433	3.0
59.05001	0.3
65.39528	0.3
67.05485	0.3
68.99793	0.4
69.03403	1.2
70.06572	0.4
71.01992	0.8
71.04984	17.5
73.02901	0.6
75.04450	0.7
79.05463	0.7
81.03392	0.6
81.07030	0.9
83.04904	0.4
85.02891	18.5
87.04456	0.4
91.05460	0.8
93.07027	1.0
95.04938	0.7
95.08589	0.8
97.02851	0.8
97.06528	0.3
99.04442	0.5
101.05997	0.3
105.07012	1.2
107.04946	0.8
107.08562	1.1
109.02887	0.4
109.06519	0.5
109.10122	0.4
111.00761	0.5
111.04439	0.6
115.09924	0.3
117.06972	0.7
119.04915	0.8
119.08585	1.5
121.02840	2.1
121.06457	0.9
121.10120	0.9
123.04438	0.6
126.51766	0.3
127.03908	0.5
129.05458	4.2
131.08495	0.9
133.02835	0.6
133.10126	0.5
135.08034	0.4
135.11653	0.4
137.02342	1.2
137.05943	0.6
137.09590	0.6
139.03888	0.5
143.08508	0.6
145.06465	0.6
145.10132	1.4
147.04405	2.2
147.06502	0.5
147.08005	0.5
147.11662	0.7
149.09595	1.6
150.09923	0.6
151.03847	0.6
153.01811	2.4
153.05449	0.4
153.08945	0.3
159.11700	0.5
161.09505	0.4
161.13206	0.4
163.03854	0.3
165.01788	1.1
167.07027	1.3
171.11674	0.7
172.12315	0.3
173.13239	0.5
175.14803	0.4
177.00041	0.6
177.05472	0.5
181.04941	0.6
183.02867	0.5
183.11650	0.8
187.11142	0.5
187.14859	0.3
189.12689	1.1
193.15778	0.4
201.12720	1.4
205.12221	0.7
205.15994	0.6
206.12619	0.6
213.05438	0.7
215.10686	0.7
216.11031	0.4
219.13770	1.2
223.13202	2.3
223.16949	0.4
224.13583	2.3
231.06401	0.6
233.11678	0.4
234.12054	0.3
241.04800	0.6
241.17953	0.4
257.01068	0.5
258.05356	0.8
259.06171	0.5
269.04388	0.3
287.05457	100.0
288.05783	1.9
295.05945	0.7
329.06039	0.6
343.04575	0.4
379.08115	0.4
386.18701	0.8
397.09195	0.6
415.10120	0.5
419.09631	19.8
420.10303	0.6
427.10605	0.5
433.11502	1.6
483.27310	1.3
501.28448	10.3
519.29272	0.5
547.19495	0.4
565.20929	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	565.1336
Annotation	Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
50.01577	0.2
50.93023	0.2
53.03935	0.3
55.01851	0.6
55.05491	0.9
55.05721	0.2
57.03420	0.6
59.26774	0.2
64.09727	0.2
65.03925	0.7
65.32780	0.2
67.05502	2.3
69.03429	1.2
69.07068	1.2
69.27446	0.4
69.27853	2.3
71.04997	0.4
73.02905	0.5
76.29412	0.2
79.05480	1.6
81.03408	1.2
81.07047	2.8
83.04969	0.7
83.08610	0.6
84.08115	0.7
84.12286	0.2
85.02898	1.7
85.06512	0.7
85.08448	0.3
86.09682	0.3
86.69402	0.2
88.88664	0.2
91.05467	5.9
92.30289	0.2
93.07027	2.0
94.07317	0.3
95.04952	1.3
95.08593	1.4
96.08945	0.2
97.02877	0.7
97.06498	1.2
97.10146	0.7
99.04452	0.2
103.05409	0.4
105.03381	0.2
105.07010	2.1
107.04918	0.6
107.08569	2.0
108.08927	0.2
109.02850	0.6
109.06504	0.6
109.10122	1.7
110.10460	0.2
111.04423	0.4
111.08050	0.5
117.07007	0.4
119.04925	14.3
119.08542	1.4
121.02863	0.6
121.06432	0.3
121.10110	1.1
123.04404	0.4
123.08066	0.4
123.11685	0.6
125.09612	0.9
127.03884	0.6
127.11194	0.3
129.06958	0.5
131.08536	0.6
133.06544	0.3
133.10135	1.2
134.10464	0.3
135.08022	0.4
135.11664	1.0
136.82793	0.2
137.05923	1.0
137.09572	0.4
139.03796	0.2
139.11157	0.3
141.63747	0.2
143.08585	0.4
145.02831	0.6
145.06544	0.3
145.10115	1.1
147.04387	100.0
147.11639	0.9
148.04750	0.7
149.09688	0.3
151.03871	0.3
153.01807	0.6
157.10103	0.6
159.11763	0.5
161.06041	0.2
161.09689	0.3
161.13258	0.5
163.03918	0.4
163.11295	0.2
163.14767	0.2
165.05457	0.5
165.12776	0.3
167.07016	0.9
169.10117	0.3
171.02858	0.3
171.11633	0.3
173.13211	0.3
175.11186	0.3
175.14790	0.4
177.05464	1.2
181.04849	0.4
184.07326	0.5
187.14772	0.3
189.11180	0.4
189.12788	0.2
193.12245	0.4
201.05460	0.3
211.13382	0.3
213.05527	0.3
217.19276	0.3
221.18933	0.5
229.14320	0.5
257.19073	0.5
269.08160	0.3
273.14957	0.3
274.08017	0.2
275.20068	0.4
279.08600	10.2
285.16714	0.3
287.05450	14.8
301.14133	0.3
303.95193	0.2
309.09686	0.7
349.23666	1.6
350.24023	0.9
355.15756	0.3
367.24799	0.6
368.25122	0.3
373.16830	0.3
386.13275	0.4
402.33856	0.3
433.11307	1.4
547.28430	0.5
565.20660	0.4
565.29962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1543
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
52.25878	0.1
55.01874	0.1
57.03429	3.2
61.02914	1.1
68.99799	0.2
69.03410	0.4
69.65274	0.6
69.65688	0.2
71.01337	0.2
71.04973	0.3
73.02906	7.9
79.00887	0.1
83.69721	0.1
85.02886	0.9
97.02818	0.2
105.03369	0.2
107.04935	0.1
109.02850	0.1
111.00751	0.5
115.03913	0.7
121.02853	1.5
129.05431	0.2
133.02837	0.3
133.04927	0.1
137.02356	0.3
147.04408	0.3
150.46152	0.1
153.01793	1.8
157.06480	0.2
165.01828	1.2
183.02818	0.6
185.05914	0.3
203.03455	0.1
213.05394	1.0
231.06470	0.5
241.04858	0.6
258.05215	0.7
259.05948	0.3
269.04514	0.1
269.39395	0.1
287.05447	100.0
288.05765	2.5
302.62933	0.1
402.54984	0.1
419.09479	0.3
433.11252	9.5
434.11545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1335
Annotation	Kaempferol 3-(2''-(E)-p-coumaroyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
53.03933	0.6
55.01848	1.4
55.05499	0.9
57.03409	1.3
59.49778	0.3
61.44558	0.3
65.03923	1.3
67.05500	2.8
69.03415	4.7
69.07047	1.4
70.06549	0.3
71.01347	0.4
71.04975	1.4
71.62776	0.5
73.02895	1.2
79.05468	2.0
81.03410	2.3
81.07045	3.3
82.86828	0.3
83.04957	1.3
85.02884	2.7
85.06516	1.5
87.04459	0.6
89.03864	0.5
91.05460	7.7
93.07018	3.2
95.04955	2.3
95.08595	3.0
97.02871	8.0
97.06490	0.6
97.10161	0.9
99.04446	1.3
99.08030	0.5
103.05437	1.3
105.07015	4.1
107.04945	3.4
107.08580	2.2
109.02883	0.7
109.06490	1.0
109.10143	2.1
110.10484	0.3
111.08067	0.8
115.03899	2.3
115.05430	1.4
117.03385	0.7
117.06985	1.3
119.04928	17.4
119.08542	2.1
121.02875	1.6
121.06482	1.0
121.10129	1.9
123.04436	2.0
123.08031	0.7
123.11674	0.9
125.05933	0.8
125.09613	1.3
127.03881	1.1
127.07496	0.4
128.06157	0.9
129.06909	0.6
131.04915	1.8
131.08554	1.2
133.02808	1.0
133.06468	0.9
133.10094	2.4
135.04393	0.7
135.07997	1.0
135.11696	1.2
137.02412	0.4
137.05946	3.1
137.09581	1.1
139.03868	0.9
139.11160	0.5
141.06926	0.6
143.08524	0.8
145.02802	2.1
145.06456	1.5
145.10080	1.4
147.04382	100.0
147.11650	1.3
148.04726	1.2
149.05951	0.9
149.09595	1.0
149.13242	0.6
151.03888	2.4
151.07570	1.2
151.11136	0.6
153.01764	1.7
153.06956	0.4
155.06087	0.4
157.06500	1.2
157.10034	0.6
159.04414	0.5
159.08054	0.9
159.11694	0.9
161.05949	1.5
161.09602	1.7
163.03839	0.9
163.07516	0.5
163.11205	0.7
165.01787	0.5
165.05449	0.9
165.09029	0.6
165.12679	0.5
167.07016	4.5
169.06424	0.5
169.10101	0.5
169.12154	0.4
171.02817	0.4
171.08151	0.4
171.11649	0.7
173.05933	1.6
173.13246	0.6
175.07487	0.5
175.11308	0.5
175.14848	0.4
177.05421	4.6
178.05798	0.4
179.03323	0.4
179.07007	0.7
179.10606	0.9
181.04881	1.1
183.02831	0.6
183.11671	0.4
185.05998	0.6
187.07468	0.8
187.14781	0.4
189.05351	0.5
189.09116	0.7
189.16357	0.5
191.06987	1.5
191.14377	0.4
193.08585	0.5
197.08063	2.3
201.05443	12.6
201.12784	0.4
203.07094	0.4
205.12021	0.3
207.09981	0.7
213.05438	0.6
217.04875	0.4
217.08577	0.5
235.09619	0.7
241.21577	0.5
243.06384	0.6
244.80568	0.4
261.07532	35.5
263.06854	0.4
279.08588	5.7
287.05457	35.9
295.09879	0.5
299.05490	0.5
385.12518	0.5
386.13025	0.7
411.14429	0.4
433.11240	2.3
507.39313	0.4
535.19421	0.6
547.19366	0.6
565.20557	2.5
565.29688	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.7
55.05506	15.0
57.03426	11.8
57.07071	4.2
58.63546	1.7
65.03927	3.6
67.05497	62.0
68.23407	1.9
69.07058	18.0
69.90529	1.9
70.93073	6.2
71.04980	3.1
79.05483	39.2
81.07045	72.3
83.04962	4.5
83.08605	12.0
85.06538	3.9
89.14069	1.7
91.05477	19.4
93.06457	3.4
93.07028	53.1
95.04955	6.3
95.08587	29.4
97.06505	7.6
97.10186	2.3
105.07021	14.2
107.08575	32.6
109.06534	2.4
109.10163	11.7
111.08077	5.4
117.07010	8.0
119.08559	9.2
121.06465	2.9
121.10139	18.7
123.11718	3.6
131.08578	9.1
133.10109	8.0
133.89964	1.8
135.07986	2.1
135.11681	6.0
137.09549	1.8
139.76381	1.7
145.10097	3.5
147.11630	5.6
149.13231	22.2
159.11627	13.2
161.13261	3.2
169.54004	1.7
173.13287	3.1
175.11171	5.3
177.12732	25.3
195.13829	9.9
207.13924	3.1
219.13768	15.4
242.19824	2.2
261.22202	9.5
269.17438	73.6
271.13290	2.8
327.19461	7.9
335.25739	68.2
390.85907	1.9
407.22131	3.1
457.65848	2.1
481.24887	2.1
529.38837	100.0
530.39203	2.4
564.27087	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86154	1.4
53.03939	2.3
54.33600	1.3
55.01863	2.8
55.05498	15.2
57.03428	5.8
57.07066	3.2
59.04984	1.9
61.02917	2.9
62.33454	1.1
62.37321	1.2
65.03920	3.3
67.05494	34.5
69.03416	4.3
69.07059	21.3
70.17467	5.2
71.04982	4.8
73.02894	1.5
79.05479	23.3
81.03400	5.2
81.07045	62.1
83.04975	4.6
83.08614	8.8
85.02897	6.5
85.06549	2.1
86.09708	1.7
87.34693	1.3
91.05469	20.2
93.07031	30.6
93.15226	1.1
95.04961	7.6
95.08590	34.7
97.02900	3.2
97.06526	11.9
97.10129	7.3
99.08085	10.2
103.05436	2.2
105.07012	31.9
105.07669	2.5
107.04944	6.2
107.08582	31.9
108.08919	2.1
108.88292	1.2
109.02869	2.2
109.06517	8.4
109.10140	55.9
110.10470	2.5
111.08083	4.2
113.09629	4.1
117.07007	8.2
119.04925	3.2
119.08573	26.3
121.06487	4.2
121.10116	26.6
123.04440	3.9
123.08064	3.0
123.11685	14.8
124.12017	1.5
125.09591	8.7
127.03926	2.7
127.11198	7.8
128.06235	3.5
129.06989	10.1
131.08548	22.7
132.08867	1.2
133.10104	21.3
135.08018	2.8
135.11674	16.1
135.15660	1.3
137.09564	3.0
137.13243	3.5
139.03897	2.3
141.06990	5.4
142.07774	2.9
143.08559	19.1
145.10101	22.8
146.10555	1.6
147.04413	4.9
147.07957	2.0
147.11665	19.2
149.06000	2.1
149.09564	4.7
149.13242	12.8
151.11185	2.4
153.12729	2.4
154.07692	3.1
155.08524	15.6
156.09334	3.0
157.10098	20.6
158.10625	1.4
159.08018	2.3
159.11647	20.5
160.12209	1.5
161.09610	2.0
161.13245	13.6
162.13690	1.5
163.07503	1.5
163.11197	2.7
163.14801	4.6
165.12799	2.3
167.08511	1.5
168.09216	1.8
169.10107	14.0
170.10789	2.8
171.11639	17.5
172.11707	1.5
173.09627	2.9
173.11858	2.8
173.13213	11.3
175.11171	2.9
175.14883	4.2
177.05470	2.1
177.12714	3.2
177.16377	3.1
181.10106	4.4
182.10831	1.9
183.11644	13.2
184.07317	3.3
185.13214	8.7
187.11206	3.7
187.14825	3.3
189.09076	1.8
189.11198	2.4
189.12755	2.4
189.16365	1.6
193.10135	1.7
193.12206	2.7
194.10847	1.6
195.10146	2.0
195.11629	8.9
197.09535	1.8
197.13274	7.4
199.14819	3.5
201.09035	1.8
201.16385	3.7
203.10634	2.7
203.18001	3.0
205.19461	1.6
207.11787	2.6
209.13277	7.7
211.14822	6.0
212.15378	1.4
213.16373	4.4
215.10622	4.2
215.14339	1.6
215.17972	2.0
217.12161	3.3
217.19540	4.4
219.13896	2.0
221.13239	2.8
223.14774	5.3
225.12766	1.4
225.16397	3.5
226.17006	1.8
227.12665	3.2
229.12225	3.1
229.14172	3.1
229.19461	1.5
231.13928	1.9
235.14896	2.1
237.16359	2.1
239.18115	1.6
243.13734	1.9
243.20918	1.4
251.17960	4.4
255.13693	2.6
257.15390	3.3
257.19016	3.9
267.16028	1.5
269.15048	2.9
269.17532	7.3
273.14661	2.1
275.19986	12.0
279.21042	5.5
281.22528	2.6
283.16977	2.1
287.05463	27.6
287.16534	2.2
297.18643	1.7
297.22040	3.4
299.09018	2.0
323.19931	2.5
325.21521	13.2
326.21997	1.9
339.19714	1.7
341.21149	2.0
343.22647	9.6
349.23688	27.5
353.24579	2.5
367.24777	14.7
368.24902	2.4
369.24069	3.1
377.25027	1.6
387.30276	1.7
389.31970	1.6
395.25598	2.8
404.30341	1.8
405.31744	1.8
422.31238	2.9
423.32803	1.6
433.30978	10.3
450.30774	2.8
451.32086	22.1
455.69012	1.5
468.31921	2.6
469.33316	6.5
486.33121	2.4
529.35193	100.0
530.35706	6.8
546.35236	1.7
564.31506	2.4
565.29901	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	564.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.05502	22.3
57.03421	2.8
57.07046	9.6
65.03921	4.2
67.05167	3.4
67.05495	40.9
69.07057	42.1
69.78903	6.7
69.79317	9.2
71.04940	3.0
71.08622	2.7
74.90779	2.5
79.05491	23.2
81.07043	67.9
83.04951	5.5
83.08603	21.1
85.06523	2.6
91.05465	27.5
93.07029	50.9
93.58010	2.9
95.04961	6.3
95.08590	76.8
97.10149	7.4
98.20824	5.3
105.07017	87.0
107.08580	57.8
109.10138	93.7
111.08046	5.0
111.11697	7.5
114.59622	2.1
117.06995	17.1
118.53194	2.5
119.08558	57.5
121.06471	2.5
121.09303	4.0
121.10118	59.6
123.08076	3.4
123.11682	31.3
125.09621	3.8
128.06163	8.4
129.06981	21.0
130.07802	3.2
131.08543	48.4
133.10109	53.6
135.11671	31.6
137.13217	15.0
141.06929	9.4
142.07753	14.9
143.08527	47.2
144.09285	5.8
145.06415	3.0
145.10104	55.8
147.11670	51.1
149.09598	5.6
149.13229	22.5
151.11179	2.5
151.14764	4.7
154.07675	4.3
155.08530	30.0
156.09331	6.5
157.10097	54.3
158.10892	3.8
159.08029	3.1
159.11659	48.9
161.09544	5.9
161.13205	26.0
163.11214	2.6
163.14790	30.7
165.16327	2.7
167.08580	6.1
168.09355	4.4
169.10091	27.6
170.10873	4.4
171.11661	40.0
173.09598	4.7
173.13257	20.0
175.11160	4.4
175.14767	12.8
177.12700	2.6
177.16315	6.4
179.08517	3.4
181.10097	12.3
182.10851	3.7
183.11639	28.3
185.13220	21.0
187.11137	9.3
187.14734	14.0
189.12704	3.8
189.16370	10.0
191.10646	4.6
191.17966	5.0
193.10118	3.9
195.11696	15.5
196.12474	3.4
197.09550	4.8
197.13257	20.9
198.13873	2.8
199.11163	5.5
199.14728	14.4
201.09070	5.9
201.12642	3.8
201.16338	11.1
203.10541	4.4
203.14191	3.2
203.17929	14.1
205.12193	3.5
205.19542	4.6
208.12587	3.4
209.13220	9.8
211.14806	12.4
213.12880	3.0
213.16383	12.5
215.10606	10.1
215.17899	5.8
217.12193	12.1
217.15834	3.3
217.19492	5.8
219.21030	6.2
221.13239	3.2
223.14806	7.3
225.16371	8.1
227.17908	6.0
229.12218	9.9
229.15837	5.6
231.13747	8.8
237.16199	3.1
239.17873	5.0
243.13776	9.1
245.15387	4.5
247.13333	2.9
250.71199	2.6
251.17883	8.8
255.13855	4.7
257.15353	14.9
259.24078	4.2
261.14725	3.1
265.19568	3.7
269.15277	7.3
269.18863	3.2
271.16895	4.9
275.16342	5.3
279.21054	7.7
281.18979	3.0
283.16974	12.3
283.20032	2.7
287.05417	8.3
287.16229	3.5
295.16971	3.2
297.18521	25.3
301.17886	4.1
307.23914	3.9
309.18375	3.2
311.19846	5.9
315.19470	22.3
323.19949	3.9
325.21530	8.2
325.25165	3.8
333.25800	5.1
335.27191	3.9
341.20847	4.9
343.22610	12.8
353.24698	12.8
365.24252	2.5
371.25766	12.3
379.26099	12.6
389.32004	5.9
391.33493	3.2
397.27249	16.4
407.33099	4.5
430.28809	2.6
435.32486	40.8
451.31818	4.1
453.33612	100.0
469.33096	3.3
487.97253	2.6
564.38660	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	564.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
54.98323	2.6
55.05500	15.5
57.07061	8.2
59.05000	15.8
60.90764	2.9
67.05495	20.4
67.31724	2.6
69.03432	4.1
69.07056	26.1
71.04979	13.0
79.05472	21.7
81.07047	46.2
83.04967	3.3
83.08609	8.0
85.06551	5.9
91.05479	26.5
93.07027	46.1
95.04937	4.5
95.08591	71.6
97.06512	36.2
97.10158	11.6
99.08086	5.5
103.92173	3.1
105.07011	76.1
107.08572	58.7
109.06502	4.7
109.10140	41.9
111.08039	4.4
115.05499	3.4
115.07556	8.5
116.30971	2.9
117.06985	14.0
119.07767	5.3
119.08568	60.1
121.06443	3.8
121.09296	5.4
121.10117	54.1
123.08069	2.8
123.11675	28.4
125.09606	23.3
127.11198	16.2
128.06186	4.2
129.06960	19.0
131.08548	53.9
132.09331	3.2
133.10112	62.2
135.11670	53.4
137.13249	5.1
141.07047	3.3
142.07780	9.4
143.08542	42.5
143.10660	31.2
144.09322	7.2
145.10098	79.0
147.08046	3.2
147.11659	56.5
149.09625	6.4
149.13226	24.4
151.11162	5.6
155.08531	14.3
156.09290	3.1
157.08900	5.1
157.10118	57.1
158.10896	3.1
159.11661	67.5
159.13620	3.1
161.09688	4.8
161.13245	69.2
163.11221	8.8
163.14807	13.5
169.10126	14.5
171.11662	46.1
173.09605	6.5
173.13232	34.4
175.11139	10.7
175.14783	22.4
177.12787	4.3
177.16359	7.2
181.10010	4.6
183.11649	16.9
185.09637	3.0
185.13229	36.6
187.11145	8.5
187.14793	51.4
189.12683	6.8
189.16293	14.0
191.10649	7.1
191.14316	4.2
195.11723	4.6
197.13339	14.0
197.14803	2.8
199.14812	33.5
201.12642	8.8
201.16359	25.1
203.10710	4.4
203.14178	8.3
203.17836	7.4
205.12183	6.6
205.15828	11.7
209.11549	5.3
209.13315	6.8
211.14780	10.4
213.12756	3.9
213.16397	11.4
215.14366	7.9
215.17912	6.0
217.12189	9.0
217.15816	11.2
217.19504	5.3
219.13805	3.1
219.17416	12.5
223.14943	4.3
225.16333	6.9
227.14235	4.8
227.17879	7.1
231.13754	18.2
231.17378	3.7
233.15356	9.3
237.18391	6.4
239.17946	6.8
245.15425	8.3
263.16318	3.9
263.20328	4.3
267.17813	3.1
267.20959	3.4
277.19260	3.2
286.83908	3.5
287.05420	6.2
337.25250	3.7
343.22272	2.9
353.24625	4.6
355.26468	3.7
365.28650	3.6
367.26028	3.6
371.25766	4.5
373.27197	3.9
377.28348	5.9
385.27380	7.3
387.30621	4.1
393.27881	7.2
398.08661	3.1
405.31488	38.3
407.33157	5.8
411.28857	13.2
415.29962	4.7
423.32526	100.0
425.34042	6.9
433.25662	4.9
433.30972	42.4
441.33640	41.0
451.32025	92.1
469.26486	5.6
469.33066	86.7
471.17493	3.4
487.34076	40.9
528.09943	3.2
564.39178	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	564.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90945	1.3
53.03938	2.8
55.01858	2.3
55.05502	17.1
57.03424	5.7
57.07058	3.7
59.04995	4.8
65.03924	2.7
67.05499	40.6
67.49530	1.2
67.74088	1.1
69.03422	5.9
69.07061	21.6
71.04983	2.6
71.74375	1.4
76.97960	1.4
77.03949	1.4
78.02433	1.4
79.05486	27.5
81.07049	71.1
83.04985	3.2
83.08595	7.7
85.06546	5.5
86.06784	1.3
91.05470	34.1
93.07032	55.0
95.04971	6.8
95.08599	73.6
97.06515	12.0
97.10165	4.0
99.08065	2.8
100.69714	1.2
103.05466	1.7
105.07019	100.0
107.08585	68.9
109.06516	9.0
109.10145	52.3
109.10902	1.7
111.08074	5.5
111.11716	2.5
113.05972	1.7
113.09639	2.0
115.05473	1.8
117.07005	18.7
118.07844	1.4
119.08565	72.8
121.06525	3.2
121.10128	41.6
123.08053	6.4
123.11704	15.6
125.09624	10.8
127.11176	2.7
128.06218	6.1
129.06998	15.2
130.07777	3.5
131.08549	56.4
132.09370	3.9
133.09090	2.9
133.10112	60.6
134.10951	1.4
135.08037	4.1
135.11671	27.8
137.09583	4.1
137.13246	6.0
139.11150	2.1
141.06999	5.9
142.07791	10.8
143.08546	36.0
144.09355	7.5
145.10106	67.8
146.10904	2.2
147.08014	4.2
147.11676	60.8
149.05946	2.9
149.09605	6.9
149.13237	26.3
151.11104	3.3
151.14774	1.9
153.06920	1.4
153.12746	2.8
154.07758	1.5
155.08531	13.4
156.09344	6.5
157.10112	51.2
158.10901	3.2
159.11676	70.1
161.09618	5.8
161.13237	59.2
162.13779	1.3
163.07578	1.7
163.11168	6.3
163.14786	13.8
165.12732	10.6
167.08615	1.8
168.09290	1.9
169.10100	16.9
170.10883	3.1
171.07976	1.8
171.11682	29.8
173.09639	3.2
173.13237	32.1
173.14670	2.4
175.11179	5.5
175.14799	18.0
177.12743	4.4
177.16342	5.6
179.14276	2.0
181.10141	5.6
182.10800	1.5
183.11674	11.8
185.09636	2.8
185.13254	29.9
185.14828	2.2
187.11189	5.3
187.14807	31.7
189.12628	6.2
189.16371	17.0
191.10687	4.7
191.14308	2.9
191.17897	5.3
193.12213	3.1
195.10150	1.7
195.11700	4.4
196.12462	1.9
197.13220	12.9
199.11176	3.6
199.14804	21.3
201.09117	3.1
201.12779	5.1
201.16373	17.3
203.10695	4.7
203.14346	7.6
203.17953	10.4
205.12215	5.0
205.15887	5.1
207.13635	1.9
209.11551	2.0
209.13232	5.2
211.13118	1.8
211.14752	8.4
213.12743	4.5
213.16313	7.3
215.10722	2.1
215.14297	5.5
215.17921	6.1
217.12215	9.7
217.15871	6.9
217.19521	4.5
219.17593	1.5
221.13383	1.8
221.15323	2.6
223.14848	4.5
225.12749	1.3
225.16400	7.2
227.14392	2.7
227.17917	4.4
229.12346	2.3
229.15826	3.2
229.19553	3.8
231.13777	16.5
231.17426	3.1
233.15338	5.0
237.16351	3.7
239.17999	4.5
241.19441	1.9
243.13748	5.6
245.15332	8.5
249.14641	1.7
251.17973	4.1
253.19516	4.2
255.13719	2.3
257.15408	3.3
265.19580	2.7
269.15341	2.0
269.19092	1.8
271.20746	2.2
279.21045	4.3
281.18930	2.2
281.22675	1.9
283.16953	2.3
285.18536	2.7
287.05527	2.3
297.18777	2.5
297.22073	2.6
299.20047	4.6
317.21063	1.6
325.21710	2.2
343.22787	3.3
347.27112	3.5
353.24554	1.6
365.24658	1.9
371.25827	2.4
393.27686	3.3
397.27267	3.0
401.26877	2.1
405.31448	2.1
407.33014	1.9
411.28912	3.0
423.32510	4.3
433.30844	3.2
435.32468	7.7
441.33652	3.7
451.31912	4.6
453.33646	13.9
469.33014	6.8
487.34381	6.3
514.63007	1.9
564.39117	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	564.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.05502	6.1
57.03418	2.1
57.07060	2.1
67.05172	1.2
67.05496	17.0
69.06711	1.2
69.07053	13.8
69.46511	2.0
69.46923	7.3
71.04979	1.1
71.08616	1.1
79.05490	10.2
81.03394	2.3
81.07046	37.7
83.04939	1.4
83.08593	3.8
85.02866	1.2
85.06522	1.1
91.05454	8.5
92.05804	1.0
93.07030	16.3
95.04935	3.2
95.08038	1.7
95.08591	21.3
97.06499	4.8
97.10165	2.1
99.08070	9.3
102.28719	1.0
104.10697	1.8
105.07007	21.6
107.08576	20.0
108.23624	1.0
109.06489	1.7
109.10136	38.6
110.10518	1.2
111.04471	1.1
113.09604	3.8
115.05470	1.0
117.06981	5.6
119.08570	17.4
120.82063	1.1
121.06461	2.0
121.10125	16.6
123.04486	1.3
123.08021	1.3
123.11692	9.0
125.09628	1.6
127.11160	5.5
128.06215	1.9
129.06976	5.7
131.08542	13.5
133.10112	15.2
135.08022	1.3
135.11679	8.6
137.13191	2.6
141.06960	3.7
142.07770	5.6
143.08534	15.4
145.10094	15.1
147.11650	11.8
149.05956	1.6
149.09595	1.6
149.13206	7.0
153.06920	1.0
154.07678	1.2
155.07378	1.1
155.08543	11.8
156.09267	2.8
157.10089	15.9
159.11667	16.1
161.09627	2.2
161.13199	8.4
163.11113	1.1
163.14795	2.5
167.08606	1.9
168.09348	1.3
169.10114	10.4
171.11652	10.3
173.09604	2.0
173.13258	6.6
175.11183	1.7
175.14784	3.1
177.09067	1.7
177.16389	1.9
179.08473	1.5
181.10054	4.2
183.11659	9.0
184.07379	3.1
185.13171	5.9
187.11128	1.3
187.14746	4.2
189.09087	1.2
189.16374	2.2
191.35820	1.2
192.09352	1.2
193.10089	1.8
195.11633	5.4
197.13243	6.0
199.11139	1.8
199.14775	4.1
201.09059	1.7
201.16322	2.7
203.10608	2.1
203.18024	1.3
205.12411	1.5
207.11728	2.2
209.13223	6.0
211.11183	1.2
211.14864	5.2
213.12669	1.5
213.16258	1.8
215.10614	2.7
215.14311	1.2
217.12221	3.1
217.19423	2.9
223.14851	4.7
225.16345	3.9
227.17757	1.4
229.12202	2.7
229.19446	1.5
231.13791	2.7
235.14801	1.7
237.16403	2.4
241.19484	1.2
243.13757	3.2
243.21101	1.1
249.16451	1.8
251.17941	1.9
253.15646	1.5
255.13759	2.4
257.15402	2.3
259.17035	1.1
265.19177	1.3
269.15250	1.8
277.19427	2.0
279.20978	4.0
281.15201	2.0
281.22653	1.3
287.05457	13.0
287.16257	1.1
297.18628	1.7
297.21869	2.1
307.23865	1.6
309.25507	1.8
323.20038	2.3
325.21561	14.6
325.25189	0.9
327.19666	1.5
341.20947	2.3
343.22635	10.0
351.23114	1.6
353.24615	2.7
355.26233	1.2
369.24091	1.7
371.25720	1.6
373.27277	2.1
377.24503	1.5
387.30133	1.6
395.25519	1.7
405.27469	1.9
423.28824	4.3
433.11313	1.3
433.31302	5.8
451.32413	14.9
469.33643	7.5
479.28729	1.3
519.34009	1.1
529.35175	100.0
530.35443	2.2
545.41125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37884	2.4
53.03936	3.1
55.01862	5.0
55.05500	23.1
57.03440	3.5
57.07055	3.1
58.86851	3.4
59.04983	13.0
67.05493	37.3
68.25943	2.6
69.03403	5.1
69.07053	31.7
69.89358	2.5
71.04981	12.0
73.97839	2.4
75.04450	2.5
79.05473	24.2
79.83060	2.5
81.07047	83.4
83.04963	7.0
83.08602	12.9
85.06525	11.5
87.04433	3.3
91.05468	38.6
93.07032	59.0
95.04963	8.3
95.08591	99.4
97.06512	14.1
97.10157	6.7
103.05456	3.1
105.07013	100.0
106.61096	3.0
107.08573	74.4
109.06497	5.5
109.10142	53.1
111.08074	3.8
113.09650	2.8
115.05447	3.4
115.07552	8.6
117.07002	24.9
119.08562	76.8
121.06506	4.2
121.10112	61.3
123.08055	4.9
123.11664	26.0
125.09607	10.1
127.11163	13.3
128.06194	7.1
129.06990	24.0
130.07782	4.7
131.08548	68.9
132.09306	3.3
133.10109	70.0
135.08038	3.8
135.11662	38.2
137.13232	7.9
141.06985	7.9
141.09090	3.3
142.07767	10.6
143.08540	50.1
143.10612	14.3
144.09329	6.6
145.10101	83.9
147.08046	5.8
147.11655	65.8
147.12759	4.0
149.05972	3.2
149.09566	6.9
149.13231	27.7
151.11113	3.1
155.08517	28.6
156.09250	5.8
157.10110	70.7
158.10861	4.0
159.08072	3.9
159.11671	81.1
161.09669	5.7
161.13225	62.5
163.11188	6.3
163.14786	21.0
165.12701	4.5
168.09366	5.5
169.10086	23.9
170.10927	6.7
171.11670	53.6
173.09657	6.8
173.13249	38.3
175.11185	7.3
175.14769	19.2
177.09178	4.5
177.12712	8.9
177.16298	6.9
179.08635	4.0
181.10091	11.0
183.11665	27.6
185.09586	3.7
185.13234	44.1
187.11157	11.1
187.14760	38.5
189.12714	9.3
189.16336	17.5
191.14252	4.8
191.17889	3.2
195.11667	9.8
197.13249	19.0
199.11165	3.9
199.14801	33.1
201.09265	3.6
201.12747	7.9
201.16310	22.3
203.10686	8.2
203.14299	9.6
203.17914	7.1
205.12241	8.5
205.15948	6.8
207.11583	4.6
207.13618	3.1
207.17398	3.2
209.13264	10.6
211.14806	11.1
213.12807	5.0
213.16339	11.9
215.14351	7.2
215.17935	4.4
217.12244	11.7
217.15852	8.6
219.17424	7.6
221.13295	4.0
223.14801	11.2
225.12753	5.2
225.16354	11.5
227.14334	4.5
227.17867	4.6
229.12300	6.8
231.13797	20.4
231.17488	5.5
233.15359	8.7
233.18852	4.1
237.16324	7.7
239.17923	6.7
241.15871	4.4
243.13829	7.7
243.17261	3.0
245.15382	10.1
249.16649	4.2
251.17920	6.9
255.13647	4.5
257.15289	4.7
269.15399	5.2
273.18369	3.2
277.19583	3.8
279.21063	6.7
281.22586	4.4
297.22067	4.2
307.24081	4.7
311.19897	3.4
325.21661	17.8
333.25717	5.1
333.94061	3.5
343.22617	17.5
347.27054	3.6
351.26678	9.8
353.24646	8.1
361.24960	3.3
365.28296	4.7
369.27859	6.7
371.25732	10.4
379.26205	19.6
387.30466	5.5
393.27649	9.5
397.27362	22.8
405.31497	19.5
411.28891	9.8
415.28995	8.3
423.32513	38.8
425.34143	4.0
433.31036	21.4
441.33499	8.6
451.31958	43.2
469.33099	40.1
487.34006	5.7
564.38922	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05504	13.9
57.07056	6.7
59.04997	19.5
65.03939	3.3
67.05495	38.4
69.03372	3.6
69.07056	26.0
69.48409	3.4
69.48817	15.2
69.82391	2.3
71.04977	4.0
79.05485	20.5
81.07043	53.9
83.04948	4.5
83.08593	10.8
85.06519	7.0
91.05482	19.4
93.07030	47.1
95.04951	6.7
95.08589	56.6
97.06508	9.2
97.10118	4.7
99.08089	3.2
105.06283	3.1
105.07009	61.6
107.05002	2.5
107.08578	58.0
109.10137	100.0
111.11671	2.7
117.07024	8.7
119.08559	47.1
121.10120	51.1
121.47417	2.2
123.11701	18.4
125.09603	3.5
127.11084	5.4
128.06189	4.2
129.06979	17.4
130.07747	3.7
130.47772	2.5
131.08557	32.9
133.10104	48.5
135.11670	27.2
137.13208	8.1
141.06963	4.2
142.07745	8.2
143.08534	35.7
144.09315	3.3
145.10110	44.4
147.08002	2.8
147.11664	41.6
149.05951	3.3
149.09557	6.1
149.13234	18.3
154.07730	2.8
155.08513	19.1
156.09325	6.9
157.10104	47.4
159.11661	48.9
161.09586	3.4
161.13239	33.3
163.11172	2.4
163.14803	12.6
167.08531	4.2
168.09297	2.5
169.10095	19.5
171.08081	2.2
171.11644	30.5
173.09576	7.3
173.13251	21.4
175.14801	11.3
177.12744	5.1
177.16371	4.9
179.08464	2.9
181.10062	8.4
183.11607	22.6
185.13226	22.6
187.11192	6.9
187.14787	18.9
189.12672	5.6
189.16385	7.8
191.10609	3.7
193.10178	3.9
195.11665	11.7
197.13255	16.2
199.11052	3.7
199.14836	13.1
199.33398	2.5
201.09090	2.7
201.12709	2.7
201.16307	10.9
203.10628	4.5
203.14290	5.3
203.17932	3.7
207.11635	3.0
209.13240	9.4
211.14842	11.4
213.12747	2.3
213.16365	6.1
215.10683	8.2
215.14259	4.2
215.17917	4.2
217.12190	7.6
217.19511	7.3
219.17484	2.4
221.13161	3.3
223.14908	10.9
225.16403	11.5
227.14214	3.1
227.17929	5.7
229.12175	6.7
229.19501	3.2
231.13702	11.9
233.15346	3.2
235.14812	4.2
237.16409	6.7
241.19659	2.8
243.13791	7.1
245.11757	3.5
245.15285	5.1
249.16470	4.1
251.17891	8.3
257.15402	4.3
265.19318	3.4
267.13885	3.4
267.17285	2.4
269.15228	4.7
279.21100	18.3
281.22598	6.1
283.16956	3.7
287.05499	6.4
295.17157	2.8
297.22128	10.9
299.23575	5.0
307.20590	3.3
325.17874	4.9
325.21515	35.4
327.23209	6.1
341.21078	5.3
343.22617	87.1
344.23029	2.5
351.22983	4.2
369.23926	11.2
377.24619	8.2
379.26062	2.5
387.30292	5.6
389.31958	3.4
393.28006	4.8
395.25742	5.6
397.27487	6.6
405.31573	12.2
407.33041	3.3
415.29562	2.6
423.32547	12.0
433.31049	39.0
451.32016	85.7
452.32007	2.9
469.33481	12.8
523.31403	2.9
531.81384	3.2
564.38879	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	564.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.6
55.05500	20.8
57.07059	4.0
58.66439	2.8
59.04980	6.8
65.03913	3.4
67.05170	3.3
67.05492	34.4
69.07059	21.1
69.30293	6.4
69.30705	28.6
71.04981	16.3
71.65836	2.6
79.05489	22.4
81.07042	76.9
83.04949	6.0
83.08601	9.3
85.06509	4.7
87.04424	2.8
91.05457	32.9
93.07028	60.3
95.04945	6.7
95.08588	82.9
95.48082	2.8
96.91969	3.6
97.06514	8.0
97.10168	5.3
98.21497	6.6
99.08077	8.5
103.05438	3.4
105.07010	100.0
107.08577	74.2
109.06503	7.0
109.09441	5.6
109.10133	70.1
111.08079	5.7
111.11704	5.0
113.09584	4.1
115.05421	4.2
115.07533	5.0
117.07014	20.4
119.07776	5.3
119.08565	65.0
121.06469	4.7
121.10128	67.2
123.08027	8.0
123.11691	29.7
125.09613	9.1
127.11166	18.3
128.06172	7.7
129.06982	18.1
130.07732	4.5
131.08545	58.6
132.09354	4.0
133.10115	75.3
135.08018	3.9
135.11671	40.4
137.13243	8.4
141.06937	7.1
142.07738	11.9
143.08536	60.3
143.10643	9.5
144.09302	9.7
145.10089	74.8
147.07986	3.9
147.11652	79.6
149.09570	8.6
149.13232	32.1
151.14789	4.2
153.12634	4.7
154.07706	4.8
155.08513	33.0
156.09280	8.9
157.10107	78.3
158.10716	4.4
159.08066	4.4
159.11662	75.4
161.09578	8.9
161.13234	48.0
163.11156	9.2
163.14804	19.9
165.12717	6.9
167.08623	6.9
168.09384	4.0
169.10091	27.2
170.10936	6.5
171.11647	55.8
173.09634	17.7
173.13206	32.2
175.11147	11.4
175.14778	23.5
177.12747	6.9
177.16351	14.2
181.10103	8.3
182.10817	3.7
183.11702	25.0
185.09604	5.2
185.13231	41.8
187.11142	13.3
187.14796	31.6
189.12692	5.9
189.16342	12.2
191.10687	7.2
191.14240	5.8
193.10127	4.0
195.11702	18.3
197.09573	4.4
197.13185	19.9
199.14769	23.9
201.09120	2.6
201.12769	4.9
201.16339	21.3
203.10617	3.7
203.14279	7.4
203.17921	6.5
205.12206	5.2
205.15901	8.5
207.11774	4.4
207.17401	4.1
209.13275	13.4
211.14749	14.2
213.12865	3.8
213.16415	10.8
215.10617	9.3
215.14262	8.1
215.17957	4.6
217.12215	11.8
217.15895	7.8
217.19417	4.8
219.17513	9.2
221.13303	4.6
221.18921	3.7
223.14767	11.7
225.16360	10.1
227.14323	6.1
227.17928	3.9
229.12180	9.2
229.19356	4.6
231.13702	25.4
231.17378	4.4
233.15295	6.3
233.18929	5.1
237.16357	10.0
239.14256	3.2
239.17966	9.5
243.13747	12.1
243.17422	3.7
245.15352	10.7
251.17978	6.3
253.19429	5.9
255.13612	3.6
257.15305	5.5
265.19510	5.1
279.21048	9.0
281.22568	5.9
283.16928	4.6
287.05569	5.7
291.21146	4.5
295.20197	4.7
297.18613	3.7
297.21994	7.4
305.22604	3.2
307.20633	5.2
307.24069	5.1
309.25705	3.9
325.21512	18.7
325.25031	6.5
333.25827	9.7
337.25052	5.4
341.21198	3.9
343.22620	20.2
351.26736	22.7
353.24606	18.6
361.24811	4.1
365.24417	4.5
365.28339	3.9
369.27930	15.9
371.25464	14.7
379.26285	50.3
387.30231	3.8
397.27313	48.0
405.31406	26.2
415.28653	17.7
423.00076	3.4
423.32614	40.6
433.30933	19.8
441.33630	4.5
451.31876	39.8
469.33087	41.6
564.38715	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16100	1.7
53.03934	2.2
55.05498	14.0
55.79726	1.5
57.03429	7.7
57.07072	7.7
59.04985	4.5
65.03918	1.8
67.05169	2.1
67.05502	26.6
68.70715	1.5
69.06712	2.7
69.07061	35.9
73.71426	1.4
75.04453	2.3
79.05482	16.8
81.07050	50.8
83.08607	13.9
85.06534	2.1
91.05463	14.7
93.07032	34.8
95.04960	2.2
95.08596	55.2
97.06534	14.9
97.10142	4.5
99.08034	1.6
105.07018	57.1
107.08588	39.2
109.10143	67.3
111.08064	2.4
111.11670	4.1
115.05440	1.7
117.06994	9.5
118.26386	1.7
119.08570	39.9
121.10130	30.3
123.11691	20.4
128.06203	3.6
129.06952	12.5
130.07800	1.7
131.08549	29.0
133.10121	34.5
135.11688	23.1
137.13219	11.5
141.06976	4.5
142.07747	7.8
143.08551	32.3
144.09337	2.3
145.10092	36.6
147.11668	36.6
149.05978	3.3
149.09595	5.5
149.13254	21.3
151.14813	1.8
155.08536	19.8
156.09312	6.2
157.10107	42.7
158.10857	2.2
159.11671	35.8
161.09618	4.6
161.13229	32.1
163.11105	1.9
163.14806	17.5
165.06955	1.7
167.08566	3.8
168.09308	2.8
169.10117	18.2
170.10901	3.3
171.11662	23.7
173.09572	4.0
173.13251	15.1
175.11211	2.0
175.14809	10.1
177.09038	2.1
177.16356	6.7
179.17908	2.3
181.10098	5.9
182.10876	2.5
183.11685	16.5
184.12422	1.9
185.13225	18.7
187.11172	5.3
187.14771	14.5
189.12691	2.2
189.16365	7.9
191.10677	3.2
191.17960	6.0
195.11667	8.9
197.13245	10.7
198.14008	2.7
199.11177	2.5
199.14812	14.3
201.09134	2.3
201.12759	4.7
201.16312	8.3
203.10629	5.2
203.14240	5.2
203.17931	11.6
205.12148	2.6
205.15807	2.5
205.19525	4.7
207.11618	2.3
209.11516	2.9
209.13234	8.5
211.14780	8.5
213.16339	5.8
215.10648	6.7
215.14221	2.0
215.17932	4.5
217.12221	6.8
217.15794	2.6
217.19540	3.8
219.21002	8.9
221.13304	2.7
223.14761	5.5
225.16344	5.0
227.14375	2.1
227.17932	4.2
229.12276	5.4
229.15834	4.4
229.19461	4.0
231.13766	12.1
231.21120	4.4
233.11694	2.5
237.16437	4.5
239.17923	3.6
241.12053	2.3
241.19487	2.5
243.13771	6.6
245.15323	5.5
245.22530	3.3
247.13373	3.4
249.14777	5.5
250.83371	1.9
251.17889	4.0
253.19516	2.8
255.13615	3.5
255.17427	1.7
257.15250	8.6
257.22507	2.1
261.14749	2.3
269.15228	3.8
269.19031	2.1
271.16971	2.4
273.14783	2.8
275.16446	5.8
279.20956	3.5
283.16861	7.3
283.20209	2.5
285.18423	2.0
287.16422	3.3
295.20575	2.0
297.18521	19.1
297.21701	3.2
301.17987	3.6
307.24106	2.6
309.18561	2.3
311.20059	5.8
315.19498	18.6
323.19980	3.7
325.21500	7.4
325.25040	2.5
327.22992	2.1
329.20923	3.5
335.23532	2.4
337.21646	2.0
341.21158	2.9
343.22614	9.4
353.24756	13.2
369.23801	2.3
371.25735	22.0
379.26331	4.2
389.31943	5.7
391.33505	2.2
393.27960	4.0
397.27222	7.5
407.33023	9.7
411.28998	2.9
417.30975	2.6
435.32596	44.6
436.33176	2.1
453.33572	100.0
454.33801	2.1
469.32968	11.7
487.33698	3.6
564.38824	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	6.4
55.01863	3.5
55.05500	18.2
57.03421	5.5
57.07047	7.4
59.04978	2.6
65.03932	2.9
66.69839	2.5
67.05496	45.1
69.03394	5.2
69.07053	23.1
69.46165	15.3
69.46589	8.1
71.04974	11.1
79.05487	28.8
79.63892	2.3
81.03394	7.6
81.07046	82.5
83.04955	8.9
83.08606	16.2
85.06516	5.0
91.05461	28.8
93.06464	3.9
93.07030	65.1
95.04949	11.4
95.08593	86.3
97.06516	12.1
97.10157	8.8
99.08073	4.7
103.05445	3.5
105.07019	100.0
107.04931	6.2
107.08575	77.4
109.06493	7.6
109.10141	72.0
111.08070	9.4
111.11704	3.6
115.05360	3.6
115.07578	3.4
117.07023	23.7
119.08562	77.0
121.06487	6.1
121.09294	5.1
121.10123	71.4
123.08026	4.6
123.11697	30.7
125.09583	7.6
128.06187	8.8
129.06985	22.5
130.07803	4.4
131.07585	3.2
131.08546	55.8
133.10109	70.6
135.08067	3.7
135.11676	28.1
137.09642	5.2
137.13229	13.4
141.06953	4.9
142.07733	11.8
143.08540	44.1
145.10095	71.2
147.07999	6.6
147.11674	73.2
149.05963	4.0
149.09561	10.7
149.13252	23.4
151.11182	2.9
153.12778	5.3
154.07755	3.0
155.08525	30.7
156.09314	8.1
157.10104	71.2
158.10785	4.1
159.11668	70.6
161.09586	9.5
161.13202	40.5
163.11163	9.1
163.14784	13.9
165.12749	8.7
167.08543	5.9
168.09309	6.1
169.10083	28.8
170.10806	5.4
171.11652	44.2
173.09579	8.1
173.13222	34.9
175.11191	9.8
175.14783	20.4
177.16338	6.8
179.14253	3.8
180.46819	2.7
181.10088	10.7
181.12276	4.5
183.11688	25.6
184.12367	4.4
185.09616	3.9
185.13222	35.2
187.11148	9.5
187.14772	31.0
189.09090	2.9
189.12698	7.5
189.16348	15.1
191.10600	6.7
191.14278	6.0
191.17941	3.9
193.10136	3.9
193.12180	4.1
195.11690	11.7
197.13272	17.1
199.11235	4.4
199.14804	22.3
201.09113	5.8
201.12729	5.9
201.16370	17.8
203.10619	9.5
203.14270	8.8
203.17891	8.5
205.15804	4.8
207.11710	5.9
207.13644	4.3
209.13377	16.4
211.14748	14.5
213.12791	5.2
213.16341	10.1
215.10580	5.2
215.14314	7.6
215.17880	4.5
217.12169	15.4
217.15848	5.8
217.19493	8.6
219.13754	4.9
223.14793	8.8
225.16347	11.0
227.14326	3.8
227.17947	7.4
229.12280	6.1
229.19403	5.6
231.13782	15.3
233.15323	5.4
235.14890	3.4
237.16338	6.8
239.17882	5.4
241.12241	3.6
241.19496	4.2
243.13737	10.7
243.17297	3.0
245.15410	6.8
251.17943	6.8
255.13684	3.9
257.15277	9.1
259.16388	2.8
261.14682	4.0
267.15854	4.4
267.21133	4.0
269.15323	6.1
269.18893	3.5
273.14792	5.4
275.16388	5.3
279.21017	7.4
283.16916	3.2
287.05493	20.2
287.16162	4.1
289.18024	3.3
291.20895	3.5
297.18430	6.4
299.16501	2.7
301.17908	3.5
305.22528	3.3
307.24127	4.7
313.17929	3.9
323.19830	3.7
323.23431	3.5
325.21475	6.0
325.25156	6.0
333.25653	10.2
335.23706	3.4
335.27341	5.3
341.20831	5.6
343.22614	7.3
351.22968	4.8
351.26749	32.0
353.24686	15.8
361.25046	6.3
369.23996	2.9
369.28076	20.7
371.25912	14.6
379.26233	56.9
387.30417	5.8
395.25754	3.2
397.27338	67.7
405.31680	12.8
415.28391	13.3
421.25555	4.0
423.32767	21.9
433.30914	30.0
447.27328	20.6
451.26346	3.9
451.32086	55.9
469.34000	14.7
479.29504	4.4
564.38184	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28532	1.5
53.03928	3.7
55.01849	6.5
55.05501	18.9
57.03423	12.9
61.02901	5.1
65.03922	2.5
67.05494	61.2
69.03416	10.4
69.07057	25.7
69.52666	4.3
69.53084	7.9
71.01353	2.3
71.04977	5.1
72.90359	1.6
73.02894	4.1
79.05061	2.4
79.05486	41.6
81.03410	14.2
81.07046	70.3
83.04962	10.7
83.08604	12.8
85.02895	15.7
85.06519	4.2
91.03924	2.7
91.05463	29.3
93.06463	3.0
93.07030	53.6
95.04928	12.7
95.05389	1.3
95.08594	31.1
97.02864	7.2
97.06507	22.4
97.10169	9.5
99.04425	3.5
99.08068	6.3
103.03923	3.5
103.05412	1.7
105.03410	1.8
105.07011	29.0
107.04951	8.0
107.08576	40.2
109.02834	3.2
109.06497	8.9
109.10151	16.3
111.08102	7.0
113.09599	1.5
117.06988	13.8
119.08559	24.4
121.06467	6.2
121.10126	21.8
123.04401	3.5
123.08014	4.9
123.11672	5.0
125.09586	6.4
127.03893	5.2
129.05440	1.6
129.06972	6.5
131.08545	18.5
133.06512	2.0
133.10129	25.0
135.08029	7.1
135.11673	27.2
137.09586	4.0
139.03827	2.5
143.08548	4.8
144.08932	1.5
145.04958	2.6
145.06430	1.8
145.10104	20.4
147.04385	5.1
147.08040	2.1
147.11674	11.9
149.09592	17.4
149.13223	13.5
151.11165	4.1
157.10089	7.4
159.11673	30.9
159.12970	1.7
161.09587	2.6
161.13203	7.7
163.11159	8.2
165.12704	1.8
169.10037	3.7
171.10295	2.0
171.11664	5.6
173.04416	2.1
173.09663	1.8
173.13177	11.9
175.11128	2.8
175.14624	2.0
177.12694	24.6
179.14307	12.8
181.12231	4.4
183.11600	2.9
184.07303	2.4
187.11189	2.4
187.14798	1.8
193.12308	3.3
195.13748	6.8
197.13202	3.0
205.12132	2.3
207.13811	1.6
211.13202	3.2
227.12769	5.4
229.14278	4.7
230.80931	1.7
239.17856	6.5
245.13620	2.3
247.20531	4.6
251.16356	3.6
255.15889	54.3
257.18918	9.6
267.15866	3.6
269.17441	100.0
275.20023	33.2
287.05453	23.1
293.20932	3.6
309.20438	2.4
337.23535	2.1
349.23682	67.6
367.24738	20.7
385.13141	2.3
389.18124	2.3
423.28955	2.2
431.22412	2.1
433.11130	2.0
466.29089	2.8
469.29251	1.6
475.26367	2.9
511.28540	3.6
564.33929	2.4
584.00311	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39447	1.7
53.03938	4.6
55.01858	8.4
55.05503	21.8
57.03430	20.4
57.07059	1.9
59.31839	1.6
61.02913	8.5
65.71657	1.9
67.05496	54.2
69.03411	11.1
69.07056	32.2
69.42693	16.5
71.04974	5.9
73.02901	4.5
73.43713	1.9
79.05046	3.6
79.05479	41.8
81.03415	18.0
81.06567	3.7
81.07047	74.3
83.04964	12.1
83.08610	13.5
85.02899	42.7
85.06529	3.8
91.03935	5.4
91.05468	34.7
93.07030	63.9
95.04947	13.1
95.08044	2.7
95.08598	38.9
97.02882	12.5
97.06522	26.1
97.10143	9.7
99.04443	3.0
99.08060	3.4
105.04516	1.6
105.07021	31.6
106.74410	1.7
107.04934	7.1
107.08585	36.8
109.02860	5.1
109.06498	7.1
109.10143	25.0
111.04406	2.8
111.08052	7.4
117.07004	13.4
119.08550	22.6
121.06511	4.4
121.10137	27.6
123.04404	2.3
123.08029	3.5
123.11697	21.8
125.09617	5.5
127.03911	15.5
127.07568	1.9
129.06963	4.1
131.08562	17.7
133.10103	23.7
133.28477	1.9
135.08018	5.8
135.11667	30.2
137.09624	5.0
143.08560	4.2
145.04938	23.1
145.10097	14.8
147.04390	2.3
147.08087	2.5
147.11687	12.7
149.09656	12.2
149.13240	58.4
151.11145	3.5
153.01801	32.0
155.08527	3.3
157.10126	5.6
159.11681	24.7
161.13208	9.4
163.03847	5.4
163.06001	14.2
163.11154	11.0
165.12819	1.9
171.02888	9.6
171.04207	1.8
171.11641	4.5
173.04526	2.3
173.11771	2.3
173.13232	6.1
175.11208	2.4
177.05510	2.6
177.12726	24.2
179.03333	3.1
179.14276	6.4
185.13205	3.1
187.11082	2.6
193.12297	2.1
195.12024	1.8
195.13771	8.6
197.13243	3.5
205.19489	37.0
215.07118	2.1
227.12674	3.2
229.14345	3.3
239.17937	5.4
247.20496	2.5
251.16447	3.7
255.15871	48.4
257.18988	8.5
259.72668	1.9
267.15814	2.7
269.17438	100.0
270.17697	1.9
275.19995	25.7
287.05478	12.1
293.21005	2.4
325.11356	9.2
349.23682	68.3
367.11624	6.2
367.24805	26.5
385.12750	43.7
413.21536	3.6
417.20984	2.3
493.28207	2.2
511.28705	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	564.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01867	6.9
55.05504	25.2
57.03429	17.9
57.07066	3.9
59.04993	2.9
59.24238	2.4
60.76412	2.5
61.02908	13.8
61.99141	2.3
65.03940	2.5
67.05494	83.3
69.03423	15.6
69.07054	38.1
69.53133	9.1
69.53571	12.0
71.04983	8.5
73.02914	6.7
73.83192	2.3
79.05482	70.6
81.03425	15.9
81.07043	97.8
83.04977	14.6
83.08592	18.7
85.02898	21.7
85.06523	8.1
91.03947	10.8
91.05471	71.8
93.07034	100.0
95.04977	20.1
95.08589	59.4
97.02857	13.6
97.06509	24.1
97.10130	7.3
99.04455	3.9
99.08076	8.8
105.07015	88.5
107.04961	5.8
107.08582	58.9
109.06495	14.5
109.10143	48.7
111.04472	3.8
111.08051	10.3
115.05431	4.2
117.07002	26.4
119.08576	72.4
121.06513	8.4
121.10124	49.1
123.08062	12.7
123.11699	9.9
125.06017	3.3
125.09639	8.8
127.03928	7.9
127.11184	3.6
128.06189	2.5
129.05457	4.2
129.07025	16.4
130.07716	3.5
131.08548	36.7
133.10112	67.0
135.08058	10.3
135.11664	29.0
137.09631	8.1
137.13234	3.3
139.07648	3.0
139.63919	2.7
141.07062	4.5
142.07774	5.1
143.08536	19.4
145.04901	4.2
145.10098	38.9
147.08014	6.0
147.11676	43.4
148.00659	2.9
149.08563	3.2
149.09612	16.0
149.13245	33.4
151.11169	5.9
155.08513	7.4
156.09274	3.2
157.10124	23.4
159.08109	3.4
159.11673	51.8
161.09599	9.1
161.13243	33.5
163.11169	6.4
163.14813	6.1
165.09077	3.1
169.10091	8.1
171.11678	27.9
173.09886	3.2
173.11809	4.9
173.13246	19.5
175.11217	4.1
175.14786	13.9
177.09256	3.5
177.12762	14.3
179.14319	3.8
183.11679	9.2
185.13197	17.1
187.11206	5.0
187.14787	13.4
189.12759	4.3
189.16371	5.7
191.03053	2.7
195.11783	4.1
195.13779	9.6
197.13254	8.6
199.11128	3.5
199.14806	10.9
201.16345	6.9
203.14206	3.7
209.13272	3.7
211.14920	3.5
213.16422	4.4
215.14336	3.2
215.18069	3.4
217.15779	4.7
225.16356	3.0
227.12653	3.3
229.14270	13.9
231.13834	3.3
231.17285	3.5
231.20987	5.0
239.17894	5.9
241.19377	14.6
257.18829	6.6
259.20554	47.6
269.14828	5.6
269.17441	61.8
275.20059	15.2
281.17310	3.2
287.05524	26.7
343.22748	6.2
349.23975	6.7
351.25232	69.0
353.24719	3.3
379.26132	2.7
395.25864	2.9
405.31976	4.8
423.32867	5.1
433.31232	6.2
443.20660	2.9
451.32437	6.2
469.28540	5.0
522.80322	3.2
564.38007	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	564.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.1
57.03424	1.7
61.02919	3.6
68.68230	0.8
69.03427	4.3
69.75731	3.7
69.76141	1.9
73.02903	1.1
73.91354	0.9
74.49032	0.7
78.31877	0.8
81.03401	2.7
83.01343	0.9
83.04964	0.8
84.09798	0.7
85.02892	16.9
91.03963	1.3
95.04960	0.7
97.02898	6.1
98.20716	1.2
99.04448	1.0
101.02379	0.9
103.05434	1.7
105.06990	1.3
109.02881	1.3
117.06934	0.9
118.04166	1.1
119.03403	3.3
121.06499	3.1
123.04398	2.0
127.03906	3.1
131.04895	11.1
131.05797	0.9
131.08559	0.8
133.06474	1.3
138.09128	0.8
139.03886	2.4
141.06984	3.6
143.03378	3.5
144.05699	1.2
145.04958	3.1
145.06468	2.4
146.03531	1.0
147.04427	1.9
155.07010	3.1
157.02881	1.2
157.06502	2.7
158.03738	0.8
159.04393	2.7
159.08046	1.5
161.05965	6.3
162.07562	1.6
163.03894	2.1
167.07042	3.2
169.06456	5.8
171.04434	2.0
173.05984	2.9
175.03934	3.2
176.04684	1.9
177.05414	3.1
178.06300	0.9
180.07492	1.3
180.08659	5.2
181.04868	1.2
182.09360	0.9
183.07974	1.2
185.05988	2.0
186.06728	3.0
187.03868	9.1
187.07510	3.8
189.05426	5.9
190.06216	1.2
191.06999	20.3
192.07697	1.3
193.08585	2.4
197.05937	8.5
201.05458	1.5
201.09102	2.6
203.03462	1.0
203.07051	2.0
204.04140	9.2
204.07813	1.5
205.04976	1.5
205.08586	2.7
207.06552	2.1
210.08818	1.6
211.07610	1.8
213.05475	3.1
214.06245	3.3
215.03682	1.0
215.06981	9.5
216.04175	1.2
217.04988	4.8
217.08580	2.1
218.05734	2.8
219.06482	19.7
221.08046	2.2
225.05493	1.9
229.08557	7.4
230.05742	1.0
231.02884	1.6
231.04602	1.2
231.06801	4.6
232.07249	1.8
233.08102	2.9
235.05998	3.0
242.05722	3.7
243.06529	7.2
244.07167	1.4
245.04477	6.4
245.07983	5.5
247.05772	1.2
247.09546	8.2
248.95476	0.9
249.07535	2.8
257.08002	12.2
259.06079	2.1
260.06769	19.5
261.07523	1.2
262.04688	3.5
263.05518	3.5
273.07486	5.6
275.09094	93.5
276.09314	1.1
277.07056	13.6
287.05441	8.2
289.07056	1.0
293.10226	2.1
301.07034	10.8
303.08597	1.2
319.08072	36.9
337.09113	100.0
355.10034	2.8
367.10028	2.0
385.11279	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	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01857	7.0
55.05501	33.6
56.75301	1.6
57.03426	13.9
57.07050	3.8
59.04974	2.3
60.89181	1.6
65.03932	5.3
66.91415	1.6
67.05495	89.4
67.80490	1.7
69.03417	4.8
69.07056	22.8
70.18671	2.7
70.19017	8.2
71.04963	9.3
73.88265	1.9
79.05482	57.0
81.02953	3.0
81.03405	25.9
81.07045	93.7
82.07374	2.7
83.04964	17.2
83.08602	25.1
85.02896	9.3
85.06529	7.8
91.05466	41.5
92.05769	2.5
93.07028	60.7
94.07381	2.7
95.04957	17.7
95.08595	63.6
97.02903	2.1
97.06528	12.7
97.10150	18.7
99.04449	1.7
99.08081	5.0
103.05429	2.0
105.07021	45.4
107.04943	6.0
107.08582	43.1
107.75286	1.8
109.06504	5.3
109.09443	3.2
109.10143	32.9
109.46236	1.8
111.04434	5.0
111.08104	8.7
113.09621	2.4
117.06995	14.7
119.08559	41.2
121.06478	3.5
121.10136	30.5
123.08078	5.9
123.11687	12.8
125.09628	10.9
129.06993	15.5
130.07758	1.8
131.08554	33.4
133.06505	3.4
133.10104	28.1
134.10510	2.0
135.08054	3.5
135.11659	20.8
137.09590	3.1
137.13269	2.6
139.11247	3.0
143.08514	14.2
144.09413	1.6
145.10097	25.5
147.08078	2.2
147.11661	25.7
149.09602	5.3
149.13240	9.7
151.11156	4.2
153.12660	3.1
155.08540	5.9
157.10077	18.8
159.11685	16.6
161.13214	11.4
163.11150	4.4
163.14822	4.8
165.12709	3.4
169.10121	6.4
171.11627	8.4
173.13220	13.6
175.11183	6.4
175.14835	4.1
177.12639	2.5
181.10085	2.3
181.12238	4.3
183.11661	5.3
185.13297	9.5
187.13286	2.0
187.14810	5.6
189.11198	4.3
191.10712	3.3
193.12225	20.4
195.11673	2.7
195.13737	1.7
197.13232	3.9
199.14825	4.6
201.16258	2.7
207.11690	2.3
209.13303	3.2
211.13240	28.8
211.14972	3.3
213.16441	2.8
225.16318	2.9
227.12660	8.3
229.14211	4.9
243.15805	3.3
243.21039	4.2
247.16951	2.1
261.22150	13.9
267.16003	2.7
267.21155	1.7
277.21387	2.2
279.23325	4.3
283.15234	2.7
285.16885	18.0
285.22031	4.7
299.23727	2.2
301.21674	1.9
301.25186	3.2
303.23233	5.0
317.24680	6.0
323.23602	2.1
327.22983	2.3
335.25769	29.0
359.25528	2.7
417.31366	2.8
425.39673	2.1
433.29810	1.7
434.98782	1.8
435.32626	9.5
453.33548	8.4
466.85208	1.7
471.34647	8.2
473.32639	5.1
487.33936	5.3
489.35623	2.6
509.36151	3.2
527.37366	35.7
535.49664	1.7
545.38257	100.0
546.38464	3.9
563.39227	40.9
585.84985	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
55.01857	7.0
55.05501	33.6
56.75301	1.6
57.03426	13.9
57.07050	3.8
59.04974	2.3
60.89181	1.6
65.03932	5.3
66.91415	1.6
67.05495	89.4
67.80490	1.7
69.03417	4.8
69.07056	22.8
70.18671	2.7
70.19017	8.2
71.04963	9.3
73.88265	1.9
79.05482	57.0
81.02953	3.0
81.03405	25.9
81.07045	93.7
82.07374	2.7
83.04964	17.2
83.08602	25.1
85.02896	9.3
85.06529	7.8
91.05466	41.5
92.05769	2.5
93.07028	60.7
94.07381	2.7
95.04957	17.7
95.08595	63.6
97.02903	2.1
97.06528	12.7
97.10150	18.7
99.04449	1.7
99.08081	5.0
103.05429	2.0
105.07021	45.4
107.04943	6.0
107.08582	43.1
107.75286	1.8
109.06504	5.3
109.09443	3.2
109.10143	32.9
109.46236	1.8
111.04434	5.0
111.08104	8.7
113.09621	2.4
117.06995	14.7
119.08559	41.2
121.06478	3.5
121.10136	30.5
123.08078	5.9
123.11687	12.8
125.09628	10.9
129.06993	15.5
130.07758	1.8
131.08554	33.4
133.06505	3.4
133.10104	28.1
134.10510	2.0
135.08054	3.5
135.11659	20.8
137.09590	3.1
137.13269	2.6
139.11247	3.0
143.08514	14.2
144.09413	1.6
145.10097	25.5
147.08078	2.2
147.11661	25.7
149.09602	5.3
149.13240	9.7
151.11156	4.2
153.12660	3.1
155.08540	5.9
157.10077	18.8
159.11685	16.6
161.13214	11.4
163.11150	4.4
163.14822	4.8
165.12709	3.4
169.10121	6.4
171.11627	8.4
173.13220	13.6
175.11183	6.4
175.14835	4.1
177.12639	2.5
181.10085	2.3
181.12238	4.3
183.11661	5.3
185.13297	9.5
187.13286	2.0
187.14810	5.6
189.11198	4.3
191.10712	3.3
193.12225	20.4
195.11673	2.7
195.13737	1.7
197.13232	3.9
199.14825	4.6
201.16258	2.7
207.11690	2.3
209.13303	3.2
211.13240	28.8
211.14972	3.3
213.16441	2.8
225.16318	2.9
227.12660	8.3
229.14211	4.9
243.15805	3.3
243.21039	4.2
247.16951	2.1
261.22150	13.9
267.16003	2.7
267.21155	1.7
277.21387	2.2
279.23325	4.3
283.15234	2.7
285.16885	18.0
285.22031	4.7
299.23727	2.2
301.21674	1.9
301.25186	3.2
303.23233	5.0
317.24680	6.0
323.23602	2.1
327.22983	2.3
335.25769	29.0
359.25528	2.7
417.31366	2.8
425.39673	2.1
433.29810	1.7
434.98782	1.8
435.32626	9.5
453.33548	8.4
466.85208	1.7
471.34647	8.2
473.32639	5.1
487.33936	5.3
489.35623	2.6
509.36151	3.2
527.37366	35.7
535.49664	1.7
545.38257	100.0
546.38464	3.9
563.39227	40.9
585.84985	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
55.01855	3.0
55.05507	16.7
57.03434	10.9
57.07056	3.9
59.83503	1.5
65.03919	1.7
67.05492	62.3
69.07051	17.4
69.44522	7.6
69.44948	6.0
71.04987	2.5
76.07207	1.6
79.05050	2.8
79.05479	39.1
81.03391	2.9
81.07043	100.0
83.04964	4.6
83.08606	14.1
85.06513	4.8
91.05464	30.1
92.05780	1.5
93.07025	42.1
93.07604	2.8
95.04934	6.2
95.08593	45.2
97.06515	6.0
97.10133	5.1
99.08083	4.9
101.05933	1.6
105.07012	39.8
107.08572	26.4
109.06539	7.5
109.10136	21.2
111.08050	2.0
117.06999	5.0
119.08556	27.3
121.10116	34.9
123.08041	5.3
123.11694	28.5
125.09595	2.3
127.07564	2.0
129.06990	2.9
131.08517	11.0
133.10114	13.4
135.11681	14.1
137.13222	3.9
143.08505	2.2
145.10085	9.9
147.11659	46.5
149.13223	7.1
151.11107	1.7
157.10120	5.3
159.11632	7.5
161.13234	3.3
163.14754	5.0
165.12724	21.8
173.13196	6.4
175.14819	2.0
183.13770	3.9
187.14815	2.6
193.12215	2.1
229.14281	5.3
243.21091	7.6
261.22113	30.5
267.15866	44.6
279.23239	8.9
285.16901	45.7
305.31650	1.7
317.24753	7.8
335.21991	2.8
335.25769	52.2
353.26685	3.4
435.32608	2.0
452.89224	1.7
453.33661	3.3
471.33920	4.5
494.62463	1.7
527.37531	7.8
545.38214	34.3
563.38831	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01854	4.3
55.05502	17.2
57.03435	8.2
57.07073	4.9
59.05001	1.5
65.03925	3.1
66.65299	1.0
67.05495	62.1
69.03423	1.4
69.07059	20.7
69.55775	4.8
69.56209	3.6
71.04977	4.7
79.05481	39.8
79.05944	1.9
81.03420	2.8
81.07045	100.0
83.04980	7.1
83.08612	11.6
84.10103	1.0
85.06534	4.5
88.73911	1.0
91.05466	30.3
92.20028	1.0
93.07027	42.8
94.07346	1.5
95.04959	7.0
95.08588	51.9
97.06510	6.8
97.10158	5.0
99.08080	3.2
105.07018	36.6
107.04972	1.7
107.08582	29.4
109.06519	4.9
109.10142	19.7
111.04395	1.4
111.08060	2.7
113.06024	1.6
117.07006	4.7
119.08569	31.2
121.10121	30.1
123.08062	3.9
123.11696	24.2
125.09589	2.0
127.07524	2.4
129.06987	2.6
131.08578	12.0
133.10098	12.2
135.08014	1.2
135.11670	12.6
137.09601	2.3
137.13258	3.9
141.09073	1.6
143.08521	2.4
145.10103	8.3
147.11665	47.1
148.12004	1.1
149.09578	1.6
149.13254	7.2
151.11119	1.9
151.14925	1.5
157.10106	5.0
159.11696	6.7
161.13255	6.1
163.11133	2.2
163.14795	2.8
165.12733	20.2
169.10124	1.3
171.11693	2.2
173.13258	6.1
175.11243	2.2
175.14796	2.3
177.12732	1.5
177.16364	1.7
179.14279	1.1
183.13756	2.0
187.14874	3.7
193.12254	2.2
199.14815	1.1
201.16310	1.6
211.13316	1.3
215.17992	1.8
227.12811	2.4
229.14392	5.8
233.22537	1.1
243.21071	4.3
261.22092	28.0
262.22327	1.5
263.23917	1.1
267.15863	40.4
279.23218	4.3
285.16904	43.2
286.17468	1.3
317.24591	6.5
335.25766	40.6
335.29868	1.9
353.26859	2.5
435.32578	2.3
453.33551	1.5
456.15726	1.1
471.34311	4.0
527.37439	7.3
545.38263	30.5
563.39288	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01860	5.2
55.05253	2.2
55.05504	30.1
57.03431	12.5
57.07076	4.9
59.04991	1.1
65.03940	3.0
67.05495	76.2
69.03404	4.0
69.06706	2.1
69.07060	21.7
70.18477	2.2
70.18885	4.0
71.04983	7.2
79.05483	54.5
79.05951	2.6
80.06297	1.1
81.03407	28.9
81.07047	81.4
82.07372	1.4
83.04971	11.3
83.08608	23.2
85.02893	10.7
85.06540	4.3
91.05470	43.2
93.07030	56.2
95.04959	19.1
95.08596	53.2
96.08914	1.9
97.02901	1.6
97.06519	7.7
97.10163	12.3
98.20787	1.3
99.04473	1.7
99.08094	4.0
105.07017	37.3
106.07346	1.2
107.04955	4.0
107.08578	37.7
109.05859	1.1
109.06499	6.4
109.10145	29.5
110.10539	1.3
111.04437	5.1
111.08064	9.6
113.06017	2.4
115.05463	2.7
117.07005	11.3
119.08569	38.9
121.06493	2.9
121.10130	26.4
121.11006	1.5
123.08041	5.0
123.11666	12.0
125.09618	9.3
128.06194	2.9
129.07004	10.3
131.08559	27.2
133.06477	1.7
133.10115	26.1
135.08064	3.6
135.11681	19.9
137.09622	4.3
137.13200	3.3
139.11188	1.4
141.06923	1.9
142.07751	2.5
143.08545	9.1
145.10100	21.2
145.11238	1.3
147.08099	2.5
147.11671	19.7
149.09624	5.3
149.13252	9.3
151.11194	3.3
153.12727	2.2
155.08482	3.1
157.10107	14.2
159.11662	12.7
161.09598	2.2
161.13257	9.2
163.11169	7.0
163.14851	2.6
165.12685	3.3
167.08566	1.5
169.10181	5.6
169.11362	1.1
171.10437	1.5
171.11655	7.7
173.09592	2.5
173.11858	1.8
173.13245	11.9
175.11163	8.5
175.14838	4.6
177.12772	1.8
177.16348	1.4
181.10130	1.9
181.12273	3.6
183.11720	5.8
185.13242	6.7
187.11082	1.2
187.14790	6.1
189.11136	5.6
191.10616	2.0
193.12201	19.2
195.11658	3.4
196.88071	1.2
197.13252	3.2
199.14845	3.8
201.16414	3.1
205.15837	1.8
211.13228	30.6
213.16423	2.3
223.16759	1.2
225.16341	1.6
227.12688	9.1
229.14371	5.0
243.15923	1.4
243.21010	2.8
261.22122	16.0
267.15826	5.5
267.21182	1.4
269.17361	2.3
277.21738	1.3
279.23190	3.5
283.15540	2.4
285.16891	18.6
285.22214	4.8
299.23712	3.1
301.21729	1.3
301.25122	2.6
303.23224	3.3
317.24744	4.3
319.22968	1.3
323.23502	1.9
335.25778	36.1
359.25705	1.5
373.27191	1.5
377.27170	1.6
391.28448	1.5
399.49591	1.4
417.31119	2.0
419.85062	1.3
435.32584	7.4
453.33578	10.1
471.34586	8.3
473.33002	2.7
487.34167	3.6
489.35883	2.2
509.36179	3.6
527.28839	1.6
527.37207	31.8
545.38287	100.0
546.38721	3.5
563.30579	2.3
563.39264	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.1
55.01854	3.9
55.05508	19.3
57.03430	7.8
57.07051	4.3
59.05008	1.4
65.03920	2.5
67.05495	64.4
69.03419	2.1
69.07063	19.3
71.04966	4.7
71.08615	1.4
74.11221	1.3
79.05480	32.8
81.03399	3.3
81.07046	100.0
82.07366	1.7
83.04961	6.6
83.08611	11.9
85.02898	2.0
85.06528	5.7
91.05467	31.0
93.07030	37.5
95.04952	8.4
95.08591	49.0
97.06508	5.3
97.10147	5.5
98.07259	1.5
99.08061	2.5
105.07011	34.1
107.08576	27.3
109.06502	5.6
109.10142	21.2
111.08068	2.6
113.06010	1.7
113.46702	1.0
117.06998	5.8
119.08554	30.0
121.06468	1.5
121.10128	29.3
123.08028	3.7
123.11682	24.1
125.09602	2.3
127.07541	2.1
129.06978	2.0
131.08566	11.1
133.10098	12.9
135.08054	1.9
135.11691	10.2
137.09564	2.6
137.13251	5.8
139.11171	1.7
143.08533	2.1
145.10115	11.0
147.10478	2.4
147.11670	45.1
149.09572	2.4
149.13251	8.1
157.10092	3.9
159.11670	8.1
161.13223	5.3
163.11131	2.1
163.14787	4.8
165.12720	21.8
171.11714	1.8
173.13232	7.6
175.11179	3.0
175.14781	3.5
183.13818	2.5
185.13268	1.4
187.14851	3.5
189.11226	1.2
193.12187	3.3
197.13136	1.4
201.16461	1.5
211.13124	1.6
211.14946	1.5
227.12694	1.2
229.14360	7.1
229.76451	1.3
237.57285	1.3
243.21036	6.4
261.22116	25.4
263.23706	1.7
267.15878	36.1
277.21722	1.4
279.23178	4.8
285.16919	44.6
317.24689	5.5
335.25748	40.0
335.29785	1.9
353.26959	2.6
435.32703	1.8
453.33182	3.1
471.34451	3.4
513.35461	2.0
527.37317	7.6
531.36401	1.8
545.38239	31.5
563.39154	27.6
564.39722	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.01849	7.2
55.05254	3.1
55.05502	34.9
57.03434	13.9
57.07061	4.7
59.04995	3.8
65.03922	3.0
67.05494	85.8
69.03409	4.6
69.07057	20.9
71.04967	6.3
79.05482	48.7
81.03404	31.8
81.07047	91.1
83.04971	17.2
83.08614	28.3
85.02887	12.7
85.06512	5.0
91.05466	48.2
93.07032	56.2
95.04964	20.1
95.08592	56.2
97.02875	2.6
97.06516	10.8
97.10148	13.4
99.08081	3.3
100.88127	1.6
105.07020	47.3
107.04933	6.8
107.08581	38.9
109.06487	7.6
109.10140	33.3
111.04432	4.7
111.08035	9.4
113.06002	2.5
113.09634	2.0
117.07003	14.2
119.08569	35.5
121.06479	4.1
121.10127	28.1
123.08035	5.7
123.11695	13.1
125.09648	10.2
128.06178	2.2
129.06993	14.9
131.08556	34.6
133.06451	2.8
133.10118	35.8
135.08018	5.6
135.11662	19.4
137.09642	4.4
137.13225	2.0
139.11194	3.6
142.07782	2.8
143.08560	8.4
145.10098	26.6
147.08037	2.3
147.11658	22.7
149.09563	7.5
149.13228	10.5
150.71951	1.8
153.09123	1.7
153.12746	2.4
155.08562	4.4
157.10121	18.4
159.11688	19.7
161.13286	8.7
163.11128	6.5
163.14813	4.3
165.12651	2.2
167.08572	2.1
169.10091	5.2
171.11653	7.1
173.09587	2.1
173.11797	3.5
173.13228	12.3
175.11171	10.4
175.14835	4.9
181.10052	2.6
181.12247	2.3
183.11662	7.3
185.13272	4.5
187.14754	4.5
189.11200	7.4
189.16382	2.9
191.14372	2.6
193.12199	27.6
197.13171	3.3
199.14833	3.5
209.13260	2.5
209.15302	2.0
211.13213	43.0
213.16385	2.3
223.14717	2.2
227.12714	9.6
229.14355	5.2
243.15747	2.0
243.21057	3.5
261.22055	14.3
267.15848	5.1
269.17160	2.7
277.21509	2.3
279.23077	3.0
283.15363	2.6
285.16904	27.1
285.21988	3.8
291.19791	2.0
301.24994	2.9
303.23154	7.7
317.24722	4.5
335.25784	26.7
358.54800	2.1
359.25729	5.8
373.26862	1.8
391.28564	3.1
409.49646	2.0
417.31284	3.4
435.32544	10.6
453.33719	12.6
471.34894	9.4
473.32593	5.1
489.35678	3.3
509.36063	4.4
527.37311	36.9
545.38293	100.0
546.37939	4.3
563.26831	8.4
563.39343	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.05502	0.2
57.03402	0.2
62.81807	0.2
63.02369	0.4
67.05486	0.6
69.03416	2.0
71.04955	0.4
71.62821	0.3
73.02912	0.2
73.21564	0.2
78.04708	0.3
78.56799	0.2
78.92776	0.2
79.05477	0.6
81.03405	2.5
81.07050	1.0
83.04963	0.2
85.02885	1.1
85.06516	0.3
89.03894	4.0
91.05461	1.0
93.07019	0.7
95.04957	0.6
95.08584	0.8
97.02872	0.5
97.06487	0.2
99.04430	0.5
103.05437	0.3
105.03371	0.4
105.07018	1.2
106.04137	0.3
107.04910	0.5
107.08583	0.7
109.02853	1.1
109.06493	0.3
109.10130	0.6
117.03359	14.4
119.04964	0.5
119.08560	0.8
121.02837	0.3
121.06455	0.5
121.10110	0.7
123.04403	0.7
123.08004	0.3
125.09621	0.3
127.03896	0.4
131.08572	0.3
133.06496	0.3
133.10097	0.9
134.03632	1.1
135.04401	1.3
135.08043	0.2
135.11642	0.3
137.09622	0.9
139.11110	0.6
145.02820	42.6
145.10028	0.2
146.02052	0.2
146.03105	0.4
147.04387	2.3
147.07994	0.2
147.11687	1.2
149.05966	5.5
149.09561	0.3
151.07539	0.2
153.01762	0.5
156.09370	0.2
158.06036	0.3
161.13191	0.3
162.03130	0.2
163.03889	0.7
163.11128	0.4
171.02818	0.3
171.11653	0.3
177.05438	100.0
178.05788	1.8
186.05450	1.5
189.12724	0.9
195.06525	1.9
207.13771	3.1
219.17517	0.2
225.14799	0.7
273.07498	0.6
289.46188	0.2
321.09677	4.1
322.10062	0.2
339.10730	6.5
383.18271	0.2
563.21661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.154
Annotation	Epicatechin-(4beta->8)-epiafzelechin
Peak:m/z	Relative Intensity
51.02367	1.0
51.25893	0.7
53.03936	1.3
55.01859	2.7
65.03925	1.7
68.99776	4.4
71.61448	1.1
74.21790	0.6
77.07331	0.7
79.05476	2.0
81.03394	1.1
81.04529	1.0
81.07046	0.8
84.08166	0.7
88.90622	0.7
91.05470	6.5
95.04955	3.5
97.02866	0.8
105.03364	0.8
105.07032	1.4
107.04938	100.0
109.02849	1.3
111.00790	2.5
111.04425	3.1
115.05377	0.9
119.04922	50.1
121.02845	9.9
122.07128	4.7
123.04403	31.3
123.05299	1.1
123.07922	3.3
127.03915	3.1
131.04887	1.0
133.06480	6.1
135.04424	1.6
137.02336	1.0
137.05977	1.2
139.03877	36.2
141.85551	0.7
145.06464	11.5
145.07501	1.2
147.04385	54.2
149.02307	7.5
149.05945	0.9
151.03879	13.2
157.06450	4.3
159.08073	1.5
160.36371	0.7
161.05972	6.4
163.03879	6.2
165.05447	7.8
167.03357	16.5
167.04707	1.1
167.07039	1.7
169.06493	1.1
171.04376	10.5
171.05681	1.0
171.08052	0.7
175.03963	4.0
177.05510	3.4
179.03366	10.9
181.06462	2.0
181.08589	1.0
185.05930	4.3
187.03859	1.4
187.07518	4.5
189.05428	11.5
191.03378	13.8
193.04929	4.9
197.05954	1.5
199.07556	3.1
201.05457	2.7
203.03343	10.3
203.06950	0.8
205.05019	1.7
207.06526	3.0
211.07568	1.0
213.05450	4.6
213.71971	0.8
215.03386	1.6
215.07022	2.1
217.04971	1.5
225.05511	0.8
227.06940	5.3
229.05002	4.7
231.06491	24.7
233.04414	6.6
233.08116	0.7
239.07063	3.1
241.04906	0.9
243.06532	10.4
245.04393	8.8
245.07964	4.4
251.05547	2.2
255.06471	16.0
257.04385	12.7
257.08127	1.4
259.06085	1.2
267.06418	7.0
269.04440	3.3
271.05859	1.1
273.07529	33.5
275.05444	19.8
279.96591	0.8
281.07965	1.0
281.10672	1.3
285.07501	23.3
287.05447	31.8
291.08575	22.6
291.11572	1.4
299.05447	5.5
303.08588	3.1
352.46124	0.7
393.09607	26.3
395.11255	4.8
405.09769	1.1
409.09024	6.0
411.10718	8.6
417.11279	1.0
427.10284	3.9
437.12225	0.9
439.10352	0.8
504.94257	0.8
543.48218	0.8
563.17963	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	563.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
54.38733	0.8
55.01864	2.3
57.36299	0.9
65.03935	1.5
68.99794	4.9
69.03426	1.1
69.99535	4.9
79.05502	2.1
81.03412	1.5
85.02906	2.0
85.36851	0.8
91.05474	4.8
91.18973	0.9
95.04948	6.0
97.02870	1.2
104.30946	0.8
105.07010	1.3
107.04945	100.0
108.05311	1.1
109.02880	1.7
111.00766	2.2
111.04407	2.3
115.05432	0.9
119.04931	60.5
120.05197	1.4
121.02861	7.0
123.04419	47.3
127.03906	6.7
131.04915	1.1
133.06493	8.4
134.89964	0.7
135.04393	2.6
137.02319	1.1
137.05972	2.4
139.02780	1.6
139.03886	46.2
145.06468	12.4
147.04399	65.7
148.04860	1.0
149.02324	7.9
151.03899	17.8
153.07011	1.3
157.06514	5.0
159.04399	1.2
161.05936	8.7
161.09656	1.0
163.03868	8.7
165.05486	9.6
165.06842	1.6
167.03377	16.8
167.07080	1.8
169.06393	2.0
171.04376	12.0
171.05682	1.3
171.08057	2.3
175.03932	4.4
177.05467	3.2
179.03358	15.0
179.06996	1.0
181.06468	2.1
185.05952	3.6
187.03891	2.4
187.07515	5.2
189.05458	11.4
191.03357	13.2
193.04919	5.3
197.05963	1.8
199.07474	3.9
201.05452	4.2
203.03375	11.7
203.07028	2.1
205.04971	2.4
207.06493	2.8
209.05923	0.8
213.05429	4.6
215.03525	1.6
215.06995	3.8
217.04892	1.9
225.05374	0.9
227.07043	6.1
229.04956	5.8
231.06499	36.4
233.04434	7.5
239.06944	2.8
243.06506	13.4
245.04401	11.0
245.08087	5.4
251.05458	2.0
253.04932	1.3
255.06508	15.3
257.04431	15.8
257.08136	1.4
258.05145	1.3
259.06000	1.1
267.06482	9.8
269.04471	4.1
271.05994	1.9
273.07550	46.3
274.08044	1.3
275.05496	22.1
285.04401	1.6
285.07571	27.8
287.05493	29.4
291.08624	32.3
299.05542	5.9
303.08524	3.3
325.07434	1.0
393.09619	20.5
395.10986	3.3
401.15991	1.7
405.09424	1.3
409.09070	12.9
411.10684	9.5
417.11652	1.1
419.11264	2.1
423.10684	1.0
427.10165	4.1
437.96515	0.9
439.10205	1.7
500.74994	0.9
563.21381	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.6
55.05501	33.4
57.03424	10.8
67.05495	69.4
68.05836	6.0
69.03429	6.3
69.07060	42.0
69.70263	32.5
70.30182	4.8
71.04992	10.2
79.05473	56.1
80.05824	7.6
81.03415	10.8
81.07040	86.9
82.07364	12.2
83.04958	14.5
83.08614	18.2
85.02864	5.9
85.06512	8.3
91.05466	62.9
92.05785	10.6
93.07025	56.6
94.07388	11.6
95.04964	22.9
95.08591	55.5
96.08943	9.6
97.06530	15.8
97.10177	11.4
98.16071	4.6
98.21497	6.4
105.07012	51.7
106.07327	10.6
107.04951	11.1
107.08591	43.7
108.08902	6.4
109.06520	9.1
109.10153	40.3
110.10532	5.2
117.07000	22.1
119.08568	49.4
120.08890	6.9
121.10126	21.3
122.10448	6.6
123.08085	7.5
123.11703	7.6
125.09611	6.6
128.06166	6.4
129.06932	9.3
131.08565	34.7
133.10146	31.1
134.10425	5.9
135.11676	21.2
143.08513	15.0
145.10089	21.9
147.11665	19.2
148.11966	8.0
149.09561	5.5
149.13243	15.6
151.11168	6.0
154.09869	4.6
155.08499	5.4
157.10138	20.6
159.11667	30.2
160.12012	10.6
161.09555	6.2
161.13263	12.3
163.11191	6.4
163.34285	4.8
169.10054	7.8
171.11728	13.6
172.12126	5.0
173.13249	16.0
174.13612	4.8
175.14828	7.3
183.11575	6.1
185.13217	11.5
187.14796	8.8
197.13185	7.1
199.14804	5.3
207.11827	4.9
209.11725	8.4
269.47018	6.0
275.19910	6.5
276.20355	10.6
348.06689	5.0
350.24179	6.9
371.43427	5.3
452.32599	12.5
467.31906	6.6
470.33459	6.1
485.32285	6.6
488.34293	5.3
526.36102	25.2
544.37103	66.0
562.38251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.2
55.01856	6.9
55.05508	23.7
56.24061	2.9
57.03436	4.3
59.04987	5.9
65.03922	3.9
67.05490	38.2
68.05843	3.2
69.03405	7.9
69.07069	17.3
71.04972	7.8
79.05479	24.3
80.05795	3.7
81.07047	58.7
82.03690	2.4
82.07378	2.7
83.04960	6.3
83.08595	9.7
85.02872	4.6
85.06532	13.6
87.13345	2.7
91.05469	36.0
92.05762	3.2
93.07030	56.0
94.07359	2.7
95.04951	8.8
95.08595	72.0
96.08937	3.9
97.06537	16.7
97.10170	3.6
98.20698	5.3
99.04440	21.6
103.05476	3.2
105.07010	95.3
106.07353	3.5
107.08573	65.8
108.08942	2.8
109.06485	9.3
109.10135	35.1
111.08090	9.3
113.06000	5.3
113.09689	3.0
115.05439	3.9
117.07003	20.3
119.08566	78.0
121.06477	10.2
121.10123	44.1
122.10497	4.6
123.08038	10.1
123.11696	10.4
125.09591	10.6
128.06212	5.5
129.07007	20.6
130.07750	3.9
131.08542	63.9
133.10112	71.3
135.08067	4.1
135.11674	39.3
137.09561	4.1
137.13200	3.7
139.11145	2.6
141.06940	6.3
141.09128	16.7
142.07767	11.5
143.08554	46.2
144.09302	6.5
145.10107	100.0
147.08049	6.3
147.11664	53.2
149.09576	9.9
149.13240	16.9
151.11136	4.2
155.08556	12.6
156.09317	11.6
157.10110	70.2
158.10814	5.9
159.08023	3.5
159.11673	91.5
160.12138	4.3
161.09627	14.7
161.13240	46.2
163.07506	3.1
163.11200	13.3
163.14822	8.5
167.08522	3.1
169.10144	22.7
170.10927	5.8
171.11670	48.6
173.09651	7.9
173.13251	48.2
175.11177	16.0
175.14806	21.0
177.12706	7.2
177.16388	5.7
179.14299	3.6
181.10059	6.0
182.10852	4.4
183.11652	15.7
184.12384	2.7
185.09639	4.5
185.13214	46.1
187.11166	9.1
187.14789	45.5
189.12732	11.0
189.16409	18.8
191.10716	3.5
191.14302	6.2
195.11673	5.8
197.13229	17.8
199.11198	5.6
199.14804	36.9
201.12735	8.9
201.16359	17.6
203.10649	3.7
203.14293	17.5
203.17761	3.6
205.12297	3.6
205.15851	12.0
207.11688	5.9
207.13597	4.0
209.13344	6.0
211.14807	8.4
213.12799	6.4
213.16386	10.0
215.14371	14.6
215.17883	4.1
217.12270	6.8
217.15889	23.6
219.13745	4.4
223.14882	3.4
225.16304	7.7
227.14375	6.4
227.17941	4.6
229.15784	5.3
231.13733	20.1
231.17378	3.4
233.15373	11.7
233.18977	3.0
235.16914	11.0
237.16351	5.7
239.18155	3.5
243.17355	5.4
245.15401	9.9
247.16846	4.4
249.15009	2.9
253.19505	3.0
271.16956	3.1
275.19907	4.2
279.20963	3.1
281.18716	3.3
325.21487	3.4
335.23795	3.2
345.25732	5.8
353.24567	4.0
363.26733	9.9
365.24496	3.9
367.26212	5.6
381.27780	8.0
385.28415	6.2
391.26102	11.0
403.30026	15.9
409.27371	8.7
419.29184	4.3
421.25751	5.1
421.30923	50.8
423.32666	4.7
427.28348	4.3
431.29608	14.5
437.30582	12.6
439.32053	50.3
440.32227	3.8
449.30469	56.7
457.33075	3.4
467.31509	80.0
485.32660	26.9
544.37000	10.2
562.38068	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85498	2.4
55.05497	18.7
57.03407	4.5
57.07045	3.0
62.04993	2.6
63.98359	2.4
67.05496	42.6
68.05836	4.4
69.07053	17.9
69.46054	5.0
69.46470	18.4
71.04969	4.2
74.09713	3.8
79.05044	3.1
79.05479	31.5
80.05813	5.2
81.03396	4.3
81.07047	76.3
82.07366	4.4
83.04948	7.8
83.08597	7.4
85.02908	3.8
85.06519	3.6
91.05463	40.3
92.05778	5.5
93.07030	55.8
94.07352	4.6
95.04961	12.3
95.08598	75.6
97.06496	10.4
97.10137	7.4
99.08074	3.1
105.07018	71.8
106.07334	5.7
107.04895	2.6
107.08577	56.9
108.08909	4.2
109.06484	6.0
109.10152	45.5
111.08035	5.2
113.05967	3.8
117.07014	14.0
119.08562	63.7
120.08841	3.7
121.10126	44.0
122.10448	3.5
123.08017	5.3
123.11678	21.8
125.09589	7.0
125.35309	2.4
128.06226	4.3
129.07019	17.2
131.08548	46.4
132.08890	4.1
133.10118	52.5
134.10483	3.6
135.08037	5.5
135.11665	23.7
136.12035	2.6
141.06914	3.9
142.07741	7.4
143.08554	32.0
145.09010	4.0
145.10100	47.8
147.08017	5.7
147.10512	2.8
147.11665	43.7
148.12006	9.8
149.09587	7.9
149.13231	15.1
151.11131	3.7
155.08510	10.3
156.09367	5.2
157.10110	58.3
158.10689	4.1
159.08055	3.7
159.11671	44.4
161.09566	5.1
161.13239	47.2
163.11118	7.0
163.14819	7.1
165.12714	7.3
166.13043	3.7
169.10078	12.3
171.11659	32.7
173.09660	6.0
173.13216	28.6
175.11157	9.7
175.14836	15.3
177.12737	2.7
177.16341	10.4
179.14459	3.0
183.11652	9.2
185.09610	4.6
185.13258	32.7
187.11099	4.4
187.14796	27.8
189.12726	3.8
189.16426	15.9
191.10728	3.9
193.10143	3.1
193.12196	2.8
195.11731	5.8
197.13179	8.4
199.14775	18.1
201.12787	3.0
201.16350	10.2
203.10597	3.4
203.14250	9.0
203.17947	5.4
205.12262	3.2
205.15895	3.5
207.13780	3.1
209.13261	5.4
211.14705	7.6
213.12723	5.3
213.16455	3.3
215.14293	7.1
215.17995	4.3
217.12253	5.6
217.15767	6.7
221.13199	2.8
221.15324	3.1
223.14919	4.0
225.16388	4.4
229.19562	3.2
231.13766	13.5
233.15302	10.9
233.52017	2.5
235.16823	6.7
239.17906	4.2
241.19513	4.4
242.19817	4.5
245.15248	5.3
247.16856	6.2
249.14510	2.8
259.20685	7.0
260.20865	5.6
261.18433	4.3
268.16153	4.4
268.96582	3.8
277.21619	5.8
278.22009	3.6
279.21066	3.6
285.16968	10.4
286.17273	6.9
297.21967	3.4
311.23636	4.1
315.62289	2.8
325.21368	6.3
334.24591	7.2
339.23093	6.0
343.22592	4.0
357.24142	23.2
369.23895	6.3
393.31406	7.7
395.32947	3.9
403.29794	17.4
421.30951	100.0
422.31360	4.1
423.32559	3.7
431.29242	15.8
439.31943	37.7
440.32147	3.0
447.72559	2.6
449.30457	34.5
467.31464	44.1
485.32486	14.2
496.50516	2.8
544.37244	15.3
562.38037	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.2
55.01862	6.4
55.05284	3.9
55.05504	35.0
57.03426	11.5
57.07072	5.4
60.14619	2.6
61.46496	3.5
65.03935	4.3
67.05495	76.0
68.05833	9.3
69.03424	16.4
69.07063	35.5
69.89345	11.8
69.89761	6.1
70.07378	3.1
71.04964	9.7
71.08656	2.7
79.05487	60.8
80.05827	7.5
81.03406	24.4
81.07047	95.8
82.03745	7.2
82.07377	12.3
82.57309	3.0
83.04979	16.4
83.08617	20.7
85.02917	7.7
85.06543	7.8
91.04888	3.3
91.05469	68.0
92.05804	11.0
93.07039	74.1
94.07369	9.6
95.04963	27.7
95.08598	81.5
96.05293	2.9
96.08926	9.0
97.06504	19.6
97.10173	13.8
97.18578	2.6
98.21504	2.9
99.08075	7.3
103.05529	3.3
105.07019	100.0
106.07367	12.7
107.04930	7.6
107.08590	86.0
108.08891	7.1
109.06508	11.5
109.10149	52.0
110.10480	6.6
111.08046	11.2
113.05976	11.0
117.07005	36.9
118.07370	5.0
119.08566	82.9
120.08914	13.2
121.06487	9.5
121.10122	71.6
122.10498	5.2
123.08071	15.2
123.11713	23.1
125.09654	15.8
128.06223	10.2
129.07021	28.5
130.07430	3.9
131.07571	4.4
131.08553	68.1
132.08928	11.6
133.06450	3.6
133.10117	75.8
134.10458	9.4
135.08049	13.0
135.11670	37.8
137.09581	5.7
137.13216	9.7
141.06978	12.2
141.09033	4.2
142.07719	11.6
143.08557	50.7
143.10555	3.6
144.09070	9.2
145.06459	5.3
145.10103	81.2
146.10440	12.6
147.08040	13.1
147.11667	63.2
148.11993	11.2
149.06032	3.5
149.09624	14.7
149.13245	20.1
150.09940	4.6
151.11182	12.6
153.06964	3.7
155.08557	35.2
156.09253	11.4
157.10110	81.0
158.10521	9.2
159.08134	4.1
159.11676	76.4
160.12038	6.4
161.09619	12.7
161.13232	37.5
162.13541	5.7
163.11098	15.1
163.14786	17.6
165.07048	3.4
165.12749	6.1
167.08557	7.1
168.09200	4.3
169.10100	32.9
170.10594	7.3
171.11671	53.1
172.12042	8.7
173.09584	9.1
173.11867	5.8
173.13242	31.9
174.13580	5.9
175.11130	14.6
175.14850	19.9
177.12727	9.4
179.08572	4.3
179.14262	4.5
181.10075	12.0
182.10735	4.7
183.11671	27.0
184.12170	4.5
185.09613	7.1
185.13239	49.0
186.13574	5.5
187.11160	15.6
187.14796	28.8
188.15083	4.1
189.11150	4.6
189.12749	10.7
189.16348	8.3
191.14279	7.3
193.10141	5.8
193.12169	6.8
194.12495	4.2
195.11641	17.8
196.12224	6.2
197.13243	26.6
198.09705	3.6
198.13586	3.1
199.11218	5.7
199.14838	27.5
200.15257	5.2
201.12794	6.0
201.16405	12.7
203.10687	4.9
203.14319	15.2
205.15860	10.7
207.11636	9.1
209.13239	9.3
210.13596	4.2
211.11368	5.9
211.13287	8.7
211.14877	10.5
212.13623	8.5
213.12674	8.3
213.16359	7.3
215.10751	7.4
215.14287	10.8
217.12273	9.3
217.15862	10.6
221.13214	8.1
223.14882	7.1
225.12801	4.4
225.16371	8.7
227.14458	7.0
229.12222	4.9
229.14122	6.0
231.13782	16.8
233.15370	5.8
235.14868	5.9
237.16354	6.1
239.17902	5.1
241.19579	5.7
242.19757	6.5
243.13838	5.3
245.15378	5.2
247.17014	3.7
249.16553	5.3
251.18016	6.1
253.16005	4.0
255.13670	4.9
255.17422	3.1
259.20557	12.9
260.20944	12.4
261.16238	6.2
266.89200	3.1
271.17322	4.3
277.19333	5.1
279.21027	6.8
285.17010	7.3
286.17493	7.0
289.19543	3.6
293.18829	6.4
295.20517	4.6
297.22031	6.0
298.22510	3.4
300.24072	3.6
307.24054	5.6
316.23480	6.7
321.22037	5.3
323.23599	3.9
325.21558	6.1
325.25217	8.3
331.24240	12.2
333.24301	5.3
334.24496	9.9
335.23621	5.2
343.22562	5.1
345.25635	3.4
349.25220	52.9
351.26746	8.3
353.24771	11.4
359.23776	5.6
363.26926	4.3
367.26270	49.1
369.24512	3.1
371.25610	9.0
371.90268	3.1
377.24664	38.2
381.27441	3.7
385.27472	8.1
391.26331	4.7
395.25867	47.9
403.29907	10.7
409.27383	5.9
413.26712	16.4
421.31073	23.6
431.29163	10.5
434.31104	9.0
439.31833	17.6
449.30408	20.6
452.32278	10.3
467.00204	3.6
467.31653	33.1
470.33224	9.5
485.32388	11.3
518.70355	3.7
526.36047	26.7
544.37177	93.5
562.38123	40.8
563.31750	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	562.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
55.01853	3.2
55.05504	11.7
57.03430	11.3
59.51825	1.0
62.06722	1.2
67.05497	16.2
69.03400	3.4
69.07037	3.8
69.41630	8.8
71.04972	3.2
72.90080	0.9
79.05484	18.5
81.03405	81.1
81.07043	18.4
83.04973	8.9
83.08605	17.4
85.02895	9.2
85.06516	1.1
91.05466	25.0
93.07037	14.5
95.04955	26.0
95.08595	9.6
97.02863	2.4
97.06503	3.8
97.10155	4.2
98.21434	1.9
99.08068	1.5
105.06377	1.5
105.07016	19.2
107.04932	6.5
107.08556	9.0
109.06488	3.9
109.10161	4.8
111.04413	2.9
111.08064	7.1
113.05998	1.3
115.05424	1.4
117.07008	3.5
119.08566	16.1
121.06486	3.2
121.10126	7.0
123.04372	1.3
123.08000	2.1
123.11674	1.1
125.09605	3.9
129.06998	9.3
131.08559	11.4
133.06470	3.6
133.09378	0.9
133.10126	9.7
135.11653	1.4
137.09575	1.8
139.33365	1.2
142.07747	2.0
143.08603	1.0
145.06494	2.3
145.10114	3.6
147.08025	3.2
147.11678	10.7
149.09595	5.6
155.08479	1.1
157.10097	12.6
159.11757	1.3
163.11168	1.4
165.12730	3.2
171.07974	1.2
173.09711	0.9
175.11157	11.1
185.09631	0.9
189.11121	1.5
193.12215	32.4
195.11633	1.1
197.13162	1.2
197.54692	0.9
199.11214	1.5
211.13246	20.6
213.12601	1.1
220.44598	0.8
233.15237	1.2
249.11855	0.9
249.14761	2.6
255.13817	1.9
267.15866	100.0
273.14810	3.2
285.16901	20.7
285.22101	1.1
310.35660	1.2
349.21603	3.1
350.07492	1.0
367.22638	9.9
367.26871	1.4
385.23691	12.1
395.70432	1.0
403.19156	1.1
403.24673	3.9
415.24579	1.1
433.25861	11.6
441.26468	5.4
459.27356	61.9
477.28436	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01856	6.8
55.05504	16.5
57.03425	11.6
61.02902	1.8
67.05492	38.4
69.03418	7.0
69.07056	14.9
69.62392	7.7
71.04992	6.9
73.11783	1.2
79.05479	27.1
81.03407	43.4
81.07043	41.0
83.04967	10.2
83.08612	18.6
85.02908	9.0
85.06519	4.2
91.04884	2.0
91.05466	41.4
93.07033	29.3
95.01417	1.6
95.04959	20.2
95.08591	17.3
97.02859	2.9
97.06501	5.0
97.10163	8.1
98.21533	1.6
99.08110	2.0
103.05473	1.8
105.04499	2.1
105.05833	1.3
105.07015	33.1
106.07375	1.4
107.04922	9.5
107.08580	25.8
108.08875	2.0
109.06491	7.7
109.09445	2.8
109.10140	33.7
110.10465	1.6
111.04420	2.5
111.08061	7.9
113.05999	2.2
117.06995	5.6
119.08551	18.4
120.08932	1.6
121.06485	5.7
121.10104	10.8
123.04353	2.2
123.08040	6.8
123.11690	5.6
125.09619	7.1
127.03835	2.3
127.07536	1.7
127.11176	1.8
128.06165	1.8
129.07001	10.2
131.08554	13.4
133.06465	3.9
133.09108	2.0
133.10112	38.0
135.08023	6.3
135.11684	7.1
137.09557	4.3
139.11096	1.5
141.06937	1.8
143.08519	5.2
143.10698	1.4
145.06439	2.5
145.10100	10.2
147.07993	3.8
147.11661	10.7
149.09602	11.6
150.35306	1.4
151.11137	16.5
155.08528	2.8
157.10110	12.1
159.08061	2.3
159.11693	3.4
161.09592	5.0
161.13205	1.6
163.11198	2.9
165.12733	2.0
169.10080	1.8
169.12215	3.3
171.11702	3.8
175.11089	8.3
177.09091	3.0
179.10678	1.7
185.13139	2.7
189.12694	2.3
191.03410	1.9
193.12207	17.1
202.03726	1.6
203.17941	2.8
209.13133	1.6
211.13217	10.9
213.12723	2.0
215.12695	3.8
217.12199	1.8
223.13197	2.5
227.12755	2.2
245.18985	3.3
253.14323	17.9
255.17519	1.9
263.20200	2.3
267.15891	44.7
269.13876	1.5
271.15353	9.9
273.18466	11.0
285.16910	14.4
291.19507	25.7
309.20462	1.8
329.73059	1.6
342.21609	1.6
345.55637	1.5
347.22134	4.7
349.21573	2.0
365.23169	100.0
367.22501	4.2
383.24295	1.6
385.23657	5.6
403.24933	1.9
433.25888	2.8
441.26343	3.2
459.27313	32.4
477.28421	26.6
527.28650	2.3
562.36426	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01866	7.0
55.05501	9.7
57.03423	7.7
57.07051	1.0
61.02908	2.5
65.03935	1.4
66.20628	0.8
66.54359	1.0
67.05495	37.2
67.87341	0.9
69.03409	4.6
69.07063	11.3
70.45575	3.7
71.04975	5.5
74.36971	0.9
79.05482	23.1
81.03407	15.0
81.07050	46.1
82.07362	1.2
83.04974	9.5
83.08615	7.9
85.02883	5.1
85.06534	4.3
87.36404	1.0
90.61266	0.9
91.03941	1.5
91.05474	33.6
92.05776	1.0
93.07028	27.2
95.04949	12.1
95.08592	16.4
97.02885	1.4
97.06512	5.3
97.10173	2.4
98.21429	1.1
101.06010	1.0
103.52354	1.1
105.07021	28.9
107.04948	6.8
107.08584	28.8
109.06521	8.2
109.10140	40.4
111.04429	2.2
111.08087	5.1
113.06010	1.7
116.92035	0.9
117.06985	7.5
119.08561	10.4
121.06487	4.9
121.10125	8.2
123.04389	1.8
123.08075	3.9
123.11681	8.1
125.09615	2.7
127.07556	2.5
129.06978	3.2
131.08554	10.1
133.06493	5.7
133.10114	53.0
134.10429	1.5
135.08055	5.4
135.11679	4.1
137.09589	2.7
139.07529	1.0
142.07713	1.3
142.69080	1.0
143.08553	3.7
143.17229	1.2
145.06465	1.0
145.10066	6.8
147.08047	3.5
147.11681	5.0
149.09616	6.6
149.13269	1.2
151.11157	24.9
155.08566	1.4
157.10101	3.2
159.08043	3.3
159.11708	1.9
161.09619	6.0
161.13219	1.4
163.11171	2.4
169.12213	4.3
171.11671	2.7
173.09590	1.3
173.13313	1.9
175.11174	4.6
177.09070	2.0
177.12756	1.7
179.10733	1.3
184.07240	1.2
185.13211	2.1
189.12798	1.9
191.03258	1.3
193.12227	5.6
199.11252	1.6
199.14719	1.2
203.27159	0.9
211.13287	2.8
215.12782	2.4
217.12238	1.1
245.18991	2.8
251.12560	1.1
253.14325	87.3
254.14746	2.1
255.17383	1.2
263.20029	2.6
267.15918	10.5
269.13812	2.5
271.15381	12.1
273.18506	10.8
285.16867	5.3
291.19559	14.6
340.72504	1.4
347.22217	7.3
365.23181	100.0
366.23584	2.7
383.24179	2.6
385.23770	2.4
402.91306	1.3
459.27512	9.3
460.09561	1.1
476.76257	1.0
477.28464	14.7
486.17929	1.0
527.28491	1.7
544.36560	2.0
562.37512	1.6
583.92139	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01864	16.7
55.05256	2.2
55.05502	26.1
57.03427	19.2
57.07058	5.7
59.04986	1.8
61.02906	1.5
63.89350	1.3
66.07284	1.5
67.05491	44.4
69.03418	5.8
69.07061	13.4
71.01334	2.2
71.04983	3.7
71.63044	2.7
73.02899	6.0
79.05049	2.4
79.05482	30.9
81.03412	18.9
81.07043	37.6
82.04186	6.3
83.04964	14.9
83.08607	10.8
85.02894	4.9
85.06525	4.1
87.04435	1.3
91.05467	35.0
93.07033	23.1
95.04952	21.4
95.08592	16.8
97.02882	7.7
97.06516	10.0
97.10149	11.9
98.07291	6.5
99.08087	1.4
101.06001	1.4
105.07014	26.4
105.07667	2.2
107.04932	8.2
107.08574	24.3
109.02873	1.8
109.06502	7.0
109.10135	33.3
110.10462	2.3
111.04437	2.0
111.08062	5.7
113.05989	4.4
115.03830	1.4
116.04686	15.5
117.05454	1.4
117.06998	7.1
119.08556	16.2
121.06459	7.0
121.10108	11.9
123.04415	1.8
123.08017	9.0
123.11687	4.4
125.09593	16.9
127.11174	3.2
128.06181	1.3
128.11516	1.6
129.05460	34.7
129.06978	4.3
131.08531	12.4
133.06424	2.8
133.10114	28.2
133.11075	2.3
135.08012	6.1
135.11694	7.6
137.09599	3.5
139.07518	1.5
142.07732	1.8
143.06999	9.0
143.08536	4.4
143.10695	3.6
145.10068	7.4
147.04413	2.3
147.08057	3.1
147.11627	10.0
149.09612	5.1
151.11153	10.1
153.01784	9.5
153.09125	1.5
153.12724	2.3
154.02147	3.2
155.08498	2.6
156.09073	1.3
157.08589	16.9
157.10100	9.6
158.05705	2.5
159.07887	1.7
159.11652	5.6
161.09659	2.1
161.13199	2.3
163.11124	9.2
165.12772	1.4
169.10086	2.3
169.12296	1.6
171.02827	7.1
171.10155	4.8
171.11609	3.2
173.09702	1.4
173.11810	2.0
173.13213	1.4
175.11227	3.4
179.10568	1.3
181.12221	2.9
183.11589	1.5
185.11667	2.0
185.13234	2.2
189.11166	10.1
191.10718	1.9
193.12199	5.4
199.13232	8.5
200.14044	4.5
209.11713	4.2
210.12440	1.7
211.13123	2.6
215.12796	1.6
227.12775	16.4
229.14276	2.2
231.13737	2.0
237.16350	1.6
239.12868	1.3
253.14319	39.9
267.15936	10.9
271.15247	7.1
272.15741	1.5
273.07523	8.7
273.18521	6.3
274.07895	8.5
283.15356	4.4
284.16055	1.4
291.19424	7.7
301.16418	100.0
325.21542	4.6
343.22623	6.3
347.22055	1.9
365.23169	29.2
477.28473	2.6
493.27866	2.9
510.28500	2.0
527.28448	34.8
562.38007	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01864	4.6
55.05504	23.3
56.06593	1.3
57.03442	3.8
57.07072	4.2
59.04977	1.7
65.03944	4.2
67.05495	73.6
69.03427	2.2
69.07061	20.1
70.68419	5.0
71.04588	1.7
71.04659	0.7
71.04986	44.2
79.05486	56.5
81.03427	3.6
81.07048	94.2
83.04962	9.2
83.08605	14.4
85.06554	5.9
85.10166	1.8
91.05473	54.2
93.07038	60.2
95.04961	9.4
95.08598	34.0
97.06533	8.9
97.10180	4.3
99.08083	1.6
105.07014	31.4
105.07650	2.2
107.04958	2.7
107.08592	31.6
107.09285	2.7
109.06544	4.0
109.10152	15.7
111.08118	4.0
117.06992	9.7
119.08561	15.5
119.09194	1.2
121.06506	1.7
121.10120	17.6
123.08096	2.7
123.11706	15.5
125.09644	2.7
129.07031	3.9
131.08556	13.6
131.11664	1.5
133.10115	28.6
133.11057	1.9
135.08081	2.1
135.11708	12.7
145.10072	8.6
147.11725	6.1
149.13257	10.6
151.11150	7.1
157.10141	3.4
159.11641	10.4
161.13268	2.5
169.10194	2.2
171.11774	2.7
173.13295	4.2
175.14870	2.5
177.12772	4.0
183.13826	12.7
185.13295	2.4
187.13396	1.9
187.14919	2.8
195.13835	4.5
212.53258	1.5
227.16490	1.7
261.22211	3.6
269.17551	5.9
272.72537	1.2
275.19864	3.1
283.19125	2.6
285.17014	3.1
317.24838	2.1
361.27426	2.5
363.25476	2.5
372.42236	1.4
383.05963	1.6
391.82898	1.6
415.19061	1.7
430.21582	1.7
431.21701	2.0
437.34131	2.1
473.23102	1.5
475.21930	1.4
517.38898	22.8
529.38818	16.4
543.37549	6.1
548.07452	1.5
561.24127	34.8
561.41541	100.0
562.24634	3.1
562.41290	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66732	1.1
53.03932	3.9
55.01873	5.3
55.05500	31.5
57.03426	12.6
57.07063	3.1
65.03930	3.3
66.06697	1.0
67.05490	62.5
68.05825	1.0
69.03407	3.9
69.06705	1.9
69.07053	20.2
71.03976	1.5
71.04308	1.5
71.04972	7.0
71.08598	1.8
79.05478	47.2
81.03403	31.7
81.03754	0.6
81.07037	59.9
83.04965	11.1
83.08604	23.2
85.02892	8.7
85.06532	5.2
91.05459	54.4
92.05774	2.0
93.07022	44.2
94.07319	1.4
95.04952	18.7
95.08586	37.0
97.02910	1.3
97.06519	8.8
97.10154	13.9
99.08093	2.9
103.05445	2.7
105.07010	56.3
106.07317	1.7
107.04933	4.9
107.08575	29.4
109.06477	6.1
109.10129	25.1
111.04413	4.1
111.08061	9.7
115.05435	2.9
116.06246	1.7
117.06998	22.0
119.04893	1.1
119.08553	42.6
120.08862	1.7
121.06498	3.4
121.10126	21.0
122.10500	1.9
123.08067	5.4
123.11700	5.9
125.09605	8.8
128.06224	3.4
129.05457	1.4
129.06979	22.3
129.07892	1.7
130.07808	1.3
131.07562	2.1
131.08539	39.4
132.08926	2.1
133.06491	2.3
133.10107	35.1
135.08043	4.2
135.11671	12.8
135.30756	1.0
137.09618	4.1
139.11229	1.6
141.06970	5.9
142.07744	6.0
143.08522	23.0
144.09074	1.4
145.06464	1.2
145.10091	29.3
146.10490	1.8
147.08034	4.8
147.11664	32.3
149.09592	6.3
149.13223	7.5
151.11174	1.8
153.06993	1.3
155.08527	11.6
156.09258	1.7
157.10103	26.7
158.10509	2.3
159.08031	2.2
159.11653	19.7
160.12041	1.9
161.09627	3.2
161.13223	17.0
163.11157	5.6
163.14807	2.1
165.08968	1.2
165.12761	2.4
167.08542	5.0
169.10075	10.0
171.08005	1.3
171.11658	15.7
172.11980	1.2
173.09608	2.6
173.11777	3.2
173.13254	12.9
174.13525	1.5
175.11143	7.4
175.14793	10.4
177.12723	2.5
179.08580	1.8
181.10101	6.3
181.12225	1.2
182.10715	1.1
183.11629	9.9
184.60040	1.0
185.13217	15.6
187.11227	3.1
187.14774	7.1
189.11188	4.3
189.12685	2.6
189.16417	1.9
191.10625	1.2
193.10435	2.7
193.12204	21.9
195.11736	5.1
195.13670	1.6
197.13177	6.2
198.13632	1.1
199.13144	1.8
199.14763	9.5
201.12666	1.2
201.16341	2.1
203.14241	2.3
207.11702	2.5
207.13690	1.2
209.13124	5.0
211.13197	29.8
213.16461	3.6
214.13124	1.4
215.14369	1.8
215.17976	2.4
217.15916	2.4
219.13733	1.7
221.13271	1.7
223.14835	3.1
225.16374	2.5
227.12573	7.3
229.14206	7.7
231.21037	1.9
233.15327	1.4
235.14771	2.1
237.16351	1.6
239.18036	2.5
241.19467	12.7
249.16432	1.1
251.18045	1.3
257.19055	1.8
259.20526	32.2
261.18777	1.2
267.15781	6.2
271.20779	1.4
275.20050	3.0
277.21695	2.5
281.22427	1.3
283.15295	1.8
283.20538	1.2
285.16891	24.8
287.19998	1.4
297.19049	1.4
297.22134	5.8
299.23709	4.5
301.21725	1.5
309.22205	1.5
313.21622	2.2
313.25583	1.0
315.23187	9.4
317.24878	1.6
323.23761	1.5
327.23056	2.3
331.22690	1.0
333.24173	24.2
339.23141	2.4
349.24893	1.1
353.24756	1.1
357.24042	1.5
371.25797	2.7
389.27036	3.9
405.31317	2.0
415.29721	3.8
419.29446	1.2
420.29715	10.1
421.30774	1.9
422.31561	1.5
423.32529	1.9
433.31076	11.9
438.30872	6.3
448.29361	3.8
451.31912	10.9
463.31000	1.3
466.30408	2.7
469.33005	10.3
471.30945	1.7
484.31403	1.3
485.32526	2.2
487.34122	4.4
499.33905	2.1
507.34692	3.3
515.37006	3.0
517.35443	2.0
525.35699	28.9
526.36115	1.5
543.36700	100.0
544.37140	4.2
561.37769	41.0
562.38147	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87759	1.2
51.32858	1.2
53.03936	4.1
55.01865	8.7
55.05499	34.3
57.03423	7.6
57.07059	4.3
59.04976	2.2
61.44507	1.3
65.03908	2.6
67.05492	59.2
69.03436	3.4
69.07060	18.8
69.37696	14.3
71.04976	4.4
79.05478	47.7
79.92268	1.2
81.03412	11.7
81.07041	61.0
83.04965	11.8
83.08604	18.4
85.02915	3.4
85.06541	3.0
90.98576	1.7
90.99108	1.4
91.05463	39.6
93.07027	48.6
93.07619	2.7
95.04936	13.6
95.08588	37.2
97.02869	2.2
97.06490	9.5
97.10152	23.7
99.08044	1.8
103.83283	1.2
105.07009	34.1
107.04952	6.9
107.08572	33.8
109.06501	6.3
109.10128	23.7
111.04424	7.2
111.08061	7.7
117.06992	16.8
119.08553	29.9
121.06507	4.6
121.10127	20.4
123.08047	4.7
123.11674	6.6
125.09610	19.3
125.75475	1.5
128.06163	1.7
129.05438	1.5
129.06982	9.3
131.08546	26.6
133.06444	1.5
133.10117	20.8
135.08057	6.0
135.11661	24.4
137.09590	2.0
139.11151	2.0
141.06973	2.8
142.07732	1.8
143.08505	11.0
145.06459	2.2
145.10091	23.9
147.08101	3.2
147.11641	15.4
149.09601	6.1
149.13261	5.3
151.11186	1.8
153.09052	1.8
153.12697	4.3
155.08549	5.0
157.10085	11.7
159.11656	16.3
161.09634	1.6
161.13217	9.9
163.11130	13.7
163.14810	2.2
165.12740	1.4
167.08578	2.1
169.10091	6.4
171.11627	7.5
173.09607	3.5
173.13222	11.7
175.11156	3.2
175.14838	2.0
177.12645	2.3
181.10260	1.3
181.12238	5.5
183.11681	6.3
185.13254	4.8
187.14789	6.6
189.11195	12.7
189.12717	2.2
191.10655	4.1
191.14282	1.9
193.12209	6.8
195.11670	3.4
195.13850	2.1
197.13306	3.8
199.14836	3.7
209.11649	3.3
209.13420	1.7
211.11559	1.6
211.13098	7.1
211.15010	1.9
213.16463	2.0
215.14333	2.5
223.14813	1.4
227.12729	32.5
227.14819	1.8
228.13144	2.1
241.19521	3.2
243.21091	2.8
245.13852	2.6
257.19150	1.4
259.20511	8.8
261.22202	9.8
267.15820	4.1
269.17456	2.9
271.20398	2.1
273.22018	2.5
275.20020	5.9
277.21655	2.2
279.23355	2.0
283.15323	18.3
283.20462	2.5
285.16971	4.4
299.23499	10.2
301.21707	3.5
315.23108	2.6
317.24710	8.9
325.21600	1.4
333.24207	6.1
335.25830	10.7
373.27127	2.3
375.25217	1.6
433.30847	5.8
451.31848	13.9
463.30182	2.1
469.33255	11.5
487.34222	8.1
507.34204	2.2
515.37231	2.9
525.35626	21.7
543.36688	100.0
544.37103	4.7
561.37744	66.3
562.37842	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1389
Annotation	ent-Oritin-(4beta->7,5->6)-epioritin-4alpha-ol
Peak:m/z	Relative Intensity
53.03938	0.7
55.01859	0.9
55.05492	2.0
57.03420	0.8
57.07060	0.8
61.02915	0.5
65.03921	0.4
67.05498	2.1
68.99789	0.4
69.03423	2.8
69.07054	1.3
69.70330	1.3
69.70760	1.2
70.06583	0.5
71.04977	1.3
72.08150	0.4
79.05486	1.8
81.03397	2.0
81.07047	4.7
82.06573	0.4
83.04967	1.2
83.08588	0.5
85.02876	2.5
85.06531	2.7
87.04452	0.4
87.06332	0.4
91.05468	2.5
93.07037	2.9
95.04968	1.8
95.08585	2.8
97.02876	1.4
97.06529	1.4
97.10120	0.7
98.20711	0.5
99.04439	1.3
99.08060	0.8
105.07021	3.2
107.04967	0.9
107.08579	3.0
109.02869	2.3
109.06509	1.8
109.10139	2.2
111.04401	0.8
111.08091	0.7
117.03338	0.4
117.07034	0.6
119.04914	1.8
119.08563	2.3
121.02871	0.8
121.06517	0.8
121.10130	1.8
123.04425	1.4
123.08029	0.7
123.11722	1.0
125.05969	0.7
125.09622	1.8
127.03880	4.1
127.07594	0.5
129.06950	0.5
129.09106	0.5
131.08551	1.3
133.06491	0.5
133.10124	1.8
135.04343	0.6
135.08035	0.6
135.11679	1.3
137.05974	1.4
137.09616	0.7
139.03873	0.9
143.08571	0.8
143.10675	0.4
145.02837	1.1
145.04907	1.2
145.10104	1.9
147.04395	6.8
147.08026	0.4
147.11681	1.5
149.05930	0.7
149.09644	0.5
149.13255	0.9
153.01785	4.0
155.08554	0.7
157.10133	1.0
159.08044	0.4
159.11696	1.6
161.09615	0.9
161.13307	0.8
163.03880	1.4
163.11237	0.7
165.05417	0.4
165.09166	0.7
167.07039	0.8
171.02850	3.7
173.13240	0.7
175.14775	0.6
177.05426	2.8
177.16357	0.5
179.10689	0.5
185.09589	0.4
185.13367	0.4
187.11397	0.4
189.16287	0.5
195.02887	0.4
195.10170	0.5
197.13408	0.4
199.06001	0.9
199.14708	0.5
201.16409	0.6
217.15909	0.6
219.17546	0.7
271.05939	2.1
273.04422	0.8
273.07483	5.0
287.05469	0.9
301.03424	0.5
343.05884	0.4
358.04916	0.6
359.05356	0.8
360.06519	0.5
362.04099	1.1
367.05908	0.9
368.06555	0.5
370.04443	0.6
371.05380	1.1
372.06314	0.7
373.07144	0.9
375.04938	1.1
379.06097	0.7
381.07547	0.7
383.05423	3.1
384.06036	1.9
385.07056	1.1
386.04138	1.3
386.08392	0.8
387.04810	1.4
388.05737	1.2
390.03711	0.7
393.07565	0.9
395.05228	0.8
396.06345	1.5
397.07001	3.9
398.04080	1.2
399.05408	2.9
399.10416	3.6
400.05603	2.7
401.06464	11.2
402.07382	0.7
405.07428	0.6
407.05594	1.6
408.06339	1.2
409.07288	1.4
410.03583	0.6
411.04709	1.3
411.09598	1.8
411.29010	1.0
412.05453	3.0
413.06119	4.5
413.11270	0.5
414.07410	4.1
415.03574	0.9
415.08572	3.4
416.09174	0.6
418.06699	1.0
421.07318	1.7
422.07849	1.1
423.09030	2.9
424.05988	1.5
425.06470	8.3
426.07379	1.7
427.08014	1.8
428.04388	0.8
428.09552	0.9
429.05197	2.3
429.29849	0.9
430.06586	0.7
431.07666	1.1
435.08951	0.6
437.06546	1.4
438.07239	1.0
439.08228	6.0
440.08771	1.3
441.10391	2.9
442.06647	2.0
443.07578	8.7
444.08368	11.8
445.09332	2.7
447.07336	1.0
447.31192	1.0
451.07748	0.7
453.10175	0.9
455.07516	2.1
455.12128	1.0
456.08374	0.5
457.09290	8.2
458.09756	0.6
459.10938	0.5
461.08737	1.9
462.09189	2.2
463.08197	0.8
464.08859	0.5
465.09604	1.2
467.07370	0.9
468.08630	1.3
469.09192	0.9
470.10001	0.6
471.10910	3.6
481.09137	2.3
482.09900	0.5
483.10886	3.9
485.08691	0.6
486.09460	5.7
489.11975	3.2
497.08182	0.5
499.10196	8.6
500.10513	1.8
501.11649	4.7
518.12213	4.0
519.12866	0.5
525.11517	0.6
528.10327	0.6
543.12775	9.6
561.13800	100.0
562.14215	2.7
583.39014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1381
Annotation	ent-Epiafzelechin-(2alpha->7,4alpha->8)-catechin
Peak:m/z	Relative Intensity
52.75468	0.2
53.21981	0.2
55.01842	0.2
67.05486	0.2
68.99783	0.9
69.03419	0.3
69.31924	1.1
69.32357	0.5
78.88287	0.1
81.03405	0.3
81.07015	0.2
85.02895	0.3
91.05450	0.2
93.07011	0.3
95.04953	0.3
105.07019	0.2
107.04953	0.9
109.02859	0.2
119.04895	0.3
120.16428	0.1
121.02847	7.6
121.10159	0.1
123.04413	6.1
123.05307	0.3
127.03862	1.0
131.04915	0.3
131.08556	0.2
133.06464	0.2
137.02336	0.3
139.03865	1.4
141.06999	0.2
145.02794	0.2
145.06462	0.9
147.04369	1.3
149.02310	1.6
151.03889	0.7
153.01807	0.5
155.03365	0.3
157.06525	0.2
159.04381	0.4
159.08028	0.2
161.05920	0.2
163.03876	0.5
165.05577	0.4
165.06784	0.2
167.06963	0.2
169.06435	0.5
171.08145	0.2
173.05936	1.1
175.07637	0.2
177.05484	0.3
179.03371	0.3
181.06422	0.3
181.08487	0.2
184.05196	0.3
185.05983	0.5
187.03915	1.1
187.07567	0.4
191.07048	0.2
197.05963	0.9
199.07394	0.2
201.05479	0.5
203.03416	0.2
203.07130	0.2
213.05371	0.4
215.07036	1.7
225.05388	0.5
227.06906	0.3
229.04939	0.8
231.06488	1.4
239.06975	0.7
243.06496	1.5
253.04901	0.5
255.06465	2.0
267.06412	0.3
269.04163	0.3
271.05963	100.0
272.06332	2.4
273.07501	0.4
283.05951	2.7
287.05444	1.2
295.06012	0.6
310.10855	0.1
319.06033	0.4
345.07523	0.2
391.07843	0.3
393.09421	0.2
395.10727	0.2
403.08032	1.4
409.09116	12.7
410.09348	0.4
421.09113	6.0
421.14865	0.3
422.09662	0.3
425.08594	0.3
435.10654	0.2
497.37720	0.2
543.12915	1.1
561.23993	0.2
561.32324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74279	0.2
69.03414	0.4
70.19840	0.7
78.04686	1.0
79.05473	0.4
85.02898	1.4
91.05431	0.3
93.07016	0.2
95.04939	0.3
97.02909	0.3
98.20767	0.2
103.05450	0.3
105.07055	0.2
106.04137	0.4
107.04938	0.4
118.04178	0.2
119.04945	0.3
119.92252	0.2
120.05723	0.2
121.06489	0.7
123.04411	3.0
124.05187	1.0
124.40250	0.1
127.03838	0.2
131.04918	0.6
133.06425	0.3
135.04451	0.2
137.05943	0.4
145.04898	0.3
147.04422	0.3
149.05920	0.3
151.03876	0.7
152.04642	1.1
153.05453	0.2
155.07114	0.2
161.05968	0.2
162.07579	0.3
165.05589	0.2
165.06891	0.2
167.07010	100.0
168.07352	0.6
176.04675	0.2
177.05412	0.3
180.08655	0.7
181.06433	0.5
181.08572	0.8
183.06541	0.2
191.06981	2.3
193.08585	0.6
195.08025	0.2
197.08063	0.2
198.06725	0.3
199.07610	0.2
209.06000	0.2
209.07947	0.4
213.09023	0.5
223.07480	0.2
225.09129	0.3
226.06209	0.2
227.06863	0.3
231.10002	0.2
239.07126	0.2
241.08606	0.5
243.10109	0.2
244.91785	0.2
253.08499	0.3
255.06413	0.3
267.10007	0.2
270.08633	0.2
271.05902	0.2
273.11240	0.6
285.11139	0.5
295.09555	0.4
301.10590	1.1
301.95755	0.2
302.11429	0.2
313.10602	2.6
314.11447	0.3
318.10913	0.3
333.13297	3.7
333.64700	0.2
345.13266	16.9
363.14319	3.7
514.80688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01854	2.0
55.05503	8.5
55.21665	1.6
55.58201	1.5
57.07064	2.7
58.78054	1.6
67.05497	17.8
69.03417	3.7
69.07056	8.2
70.06555	1.3
71.04977	2.4
71.63033	2.5
79.05484	19.5
79.76047	1.5
81.03403	4.0
81.07041	40.3
83.04951	6.9
83.08600	5.7
91.05464	17.9
92.05778	1.7
93.07027	29.8
95.04972	7.3
95.08598	38.3
97.06525	5.7
97.10140	3.4
99.15454	1.5
105.07008	37.1
107.08569	28.2
109.06491	7.0
109.10147	24.9
111.04430	20.1
111.08064	5.6
113.05977	1.8
117.07004	9.6
119.08573	27.9
120.63699	1.7
121.06502	5.0
121.10124	42.0
122.40524	1.5
123.08062	6.3
123.11675	21.3
125.09643	3.6
128.06192	4.4
129.06969	12.3
130.07756	1.4
131.08556	37.8
133.10100	25.6
134.10416	1.5
135.08049	3.9
135.11687	17.2
135.92322	1.4
137.05943	12.0
137.09569	2.6
137.13248	3.0
139.07532	3.4
140.18178	1.5
141.07007	4.0
142.07730	8.0
143.08545	29.4
144.09210	1.9
145.10101	44.3
147.08034	14.2
147.11670	19.1
148.12032	1.8
149.09534	3.0
149.13197	11.0
153.08989	1.7
155.08511	11.9
156.09273	5.3
157.10106	52.4
158.10678	2.2
159.08029	6.6
159.11676	34.8
161.09605	12.2
161.13237	13.2
163.11137	3.4
163.14783	6.4
165.06857	1.8
167.08530	3.9
169.10109	14.8
170.10849	1.9
171.11659	36.4
173.09610	9.3
173.13219	25.1
175.11118	7.7
175.14771	9.0
177.09065	2.7
177.12811	2.1
177.87672	1.5
181.10133	4.6
182.10754	1.6
183.11655	12.1
185.09604	3.5
185.13252	38.6
187.11156	7.8
187.14784	19.8
189.12683	6.0
189.16362	2.8
191.10562	2.3
195.11668	7.6
197.13319	10.4
199.11147	2.1
199.14790	26.6
200.96312	1.5
201.12746	7.9
201.16362	6.1
203.10641	1.7
203.14288	8.9
203.18022	2.1
207.11728	1.9
209.13264	5.4
211.13036	2.2
211.14803	5.2
213.12723	7.4
213.16342	5.4
215.14319	9.8
217.12190	1.6
217.15891	4.4
219.13696	3.2
219.31947	1.4
221.15332	3.7
223.14775	3.7
225.16434	4.0
227.14244	4.2
229.15857	3.9
231.13786	5.3
233.15318	9.0
235.16907	2.0
237.16299	3.1
239.17955	3.3
245.15353	6.6
245.18977	1.9
247.16928	6.1
249.18668	1.7
251.17937	2.3
253.19444	2.5
257.18808	2.0
259.16858	3.7
259.20566	2.2
261.18533	3.3
265.19604	1.7
271.20682	2.5
275.20102	3.6
279.21167	2.9
281.22513	2.1
289.21912	2.5
307.24164	3.5
362.06076	1.7
391.26001	8.1
401.28244	4.6
409.31003	2.0
419.29382	100.0
421.30878	10.0
429.27728	5.2
437.30435	70.6
438.31116	2.2
439.32529	1.9
447.28854	49.9
465.29910	30.6
483.30969	11.0
542.35242	3.9
543.36627	2.4
560.36041	13.9
583.60394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
55.01844	0.8
55.98331	0.2
56.80501	0.2
57.03428	1.6
61.02919	1.2
65.03923	0.2
67.05469	1.0
69.03066	0.3
69.03416	4.5
69.40412	0.5
69.40824	2.1
71.01315	0.6
71.04958	0.5
72.78526	0.2
73.02898	1.2
77.71910	0.2
81.03401	1.5
85.02889	6.2
87.04470	1.2
91.03915	0.6
97.02284	0.3
97.02872	3.0
98.21487	0.6
99.04408	0.6
101.59496	0.2
109.02847	0.9
109.05078	0.3
115.03009	0.2
115.03873	0.3
127.03887	1.7
134.04602	4.1
135.02979	0.3
145.04924	0.6
152.05650	1.3
152.94060	0.3
158.07094	0.5
165.02277	4.6
167.02534	0.8
167.03833	0.5
175.09763	1.3
181.04030	0.3
181.05406	1.0
182.04926	100.0
183.05188	0.9
183.06670	0.3
185.08177	0.4
190.03052	0.7
194.04932	3.8
200.09261	1.4
201.07829	0.3
201.10010	0.5
204.04436	0.3
205.05412	3.8
216.04594	1.9
218.05052	0.4
219.06998	1.6
221.08487	0.7
224.05965	1.1
231.06953	12.5
248.09610	28.2
249.10016	0.6
266.10654	56.4
267.10947	0.9
271.05957	0.4
287.05670	0.3
314.09070	1.0
344.10205	0.4
380.13904	0.7
398.14868	8.3
428.15924	47.9
429.16269	1.0
532.57227	0.2
560.20123	44.3
561.20435	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97085	0.2
55.01857	0.3
61.02900	0.2
69.03416	0.7
69.73306	1.1
71.04984	0.2
73.02876	0.2
77.44913	0.2
78.04704	0.9
79.05485	0.4
81.03405	0.4
84.98925	0.2
85.02890	1.5
91.05458	0.6
94.53583	0.2
95.04955	0.7
97.02863	0.5
97.06471	0.2
98.09073	0.2
99.04472	0.2
105.07017	0.4
106.04147	0.5
107.04924	0.7
109.02853	0.3
109.06482	0.2
118.04066	0.2
119.04943	0.5
121.06532	1.0
123.04422	4.0
124.05246	1.1
125.05955	0.2
127.03901	0.4
127.07518	0.2
131.04897	0.7
133.06468	0.4
134.03581	0.3
135.04411	0.2
135.07980	0.4
137.02225	0.2
137.05978	0.5
139.03857	0.6
144.06602	0.2
145.04947	0.3
147.04356	0.4
149.05945	0.3
151.03897	0.8
152.04652	1.0
153.05444	0.4
154.08615	0.8
161.05922	0.3
162.07578	0.4
167.07022	100.0
168.07370	0.7
176.04616	0.2
177.05498	0.2
179.07053	0.2
180.08659	0.6
181.06465	0.6
181.08559	1.0
182.07272	0.2
183.06557	0.3
184.84134	0.2
190.41397	0.2
190.56537	0.2
191.06993	2.4
193.08597	0.4
209.08060	0.5
210.06837	0.2
211.07532	0.2
213.09097	0.3
223.07611	0.3
241.08598	0.6
243.06523	0.2
253.08589	0.4
267.10138	0.4
269.08060	0.3
270.08936	0.2
271.06039	0.3
273.11221	0.6
281.07846	0.2
284.10663	0.2
285.11249	0.4
295.09653	0.6
301.10699	1.2
313.10669	2.9
314.11459	0.3
318.11087	0.3
333.13315	3.4
345.13297	16.5
346.13541	0.4
347.88699	0.2
363.14279	3.4
379.44614	0.2
511.20792	0.2
560.21423	0.3
579.76953	0.2
580.39612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01859	5.6
55.05502	21.0
57.03423	6.0
57.07064	4.9
65.03938	2.1
67.05499	61.7
69.03418	2.3
69.07072	18.4
71.04988	2.9
71.63117	3.6
79.05482	50.3
81.03400	3.3
81.07049	49.4
83.04971	6.0
83.08607	13.6
85.06551	4.1
91.05472	38.4
93.07033	46.0
95.04955	12.4
95.08591	37.5
97.06510	6.5
97.10128	4.9
99.08114	2.1
103.05475	2.7
105.07009	32.8
107.04961	6.1
107.08588	27.3
109.06538	4.9
109.10117	14.7
110.05891	1.9
111.08083	3.6
117.07018	16.2
119.08578	20.7
119.57590	2.0
121.06464	3.3
121.10143	15.9
123.08073	3.9
123.11714	4.4
125.09658	5.1
128.06229	3.5
129.07002	16.2
131.08548	32.4
133.06528	2.4
133.10112	16.0
135.11632	10.0
141.06979	5.9
143.08517	21.2
145.10135	25.4
147.08025	3.0
147.11696	15.5
149.09633	3.5
149.13240	6.1
150.00644	2.4
155.08551	13.5
156.09375	2.5
157.10101	22.1
159.11670	16.0
161.09648	2.8
161.13281	7.4
163.14761	2.6
167.08607	4.1
169.10078	16.5
171.11687	12.5
173.13274	5.9
175.11171	2.5
175.14848	2.6
177.35539	2.1
179.94081	2.1
181.10170	7.4
183.11723	8.4
185.13249	8.6
187.11174	2.8
187.14780	5.1
193.10175	2.9
195.11723	6.3
197.13313	9.6
199.14862	7.0
201.16302	2.8
207.13814	5.9
209.13303	4.3
211.14848	7.2
213.16353	6.2
221.13306	2.1
223.14769	5.9
225.16484	3.4
227.18016	4.9
235.14847	2.7
237.16327	2.7
239.17940	3.0
243.21080	3.6
261.22202	8.0
273.18652	3.3
279.15988	5.8
281.17416	18.7
291.19705	3.5
305.19159	2.2
323.23788	2.9
325.25266	2.9
335.25751	9.5
337.25458	2.7
355.26215	2.6
414.18176	5.2
415.19284	4.6
419.33377	2.5
425.17569	3.5
428.20432	3.5
429.21136	4.3
431.33176	9.1
437.34052	6.0
443.22971	4.4
444.18979	2.2
449.34210	17.8
457.20560	4.3
458.21185	2.6
467.35327	11.4
471.21637	6.9
472.22501	2.6
472.43118	2.0
485.36160	9.2
486.20435	3.6
487.21313	3.1
499.21588	4.6
511.37872	4.3
523.38074	9.6
529.38794	19.4
531.24121	2.5
541.38910	100.0
542.39929	2.2
559.23389	86.5
559.40216	51.2
560.23712	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.1
53.03931	4.4
54.53186	1.1
55.01860	2.8
55.05252	1.7
55.05503	23.7
55.44367	1.0
57.03438	10.3
57.07050	3.5
57.75997	1.0
58.11868	1.0
58.43935	0.8
59.05010	1.1
65.03934	4.6
67.05496	78.2
69.03391	1.2
69.07056	18.6
71.04974	2.2
71.08618	1.9
73.06551	1.2
77.03895	1.5
79.05482	74.8
81.03410	6.5
81.07046	72.3
82.07372	1.2
83.04970	10.9
83.08597	8.2
85.06519	3.3
91.04885	2.3
91.05469	57.4
93.07032	82.3
95.04953	19.5
95.08595	51.1
97.06518	6.3
97.10159	4.2
99.08055	2.1
103.05457	1.3
105.07020	41.7
107.04947	4.2
107.08582	28.8
109.06497	6.4
109.10142	17.9
111.08079	2.2
115.05444	1.6
117.07017	10.4
119.08568	30.8
121.06484	2.0
121.10135	18.8
122.23949	0.9
123.08028	5.4
123.11693	3.4
128.06189	2.4
129.06996	13.9
131.08534	11.1
133.10104	14.6
135.11685	11.3
141.07007	1.4
141.09052	1.2
142.07832	1.1
143.08534	7.2
145.06485	0.9
145.10104	16.5
147.08081	1.7
147.11668	32.0
149.13284	5.8
157.10107	3.6
159.11685	7.7
161.09634	4.7
161.13239	11.3
163.14771	2.2
169.10081	2.4
171.11650	23.0
173.13245	3.6
173.84914	1.1
175.14740	2.6
177.12791	2.4
183.11658	2.0
185.13231	1.5
187.14783	1.3
189.12695	10.4
189.16362	1.1
207.13760	23.3
208.63911	1.1
223.15050	1.3
225.14758	1.4
243.21016	2.8
261.22153	9.3
279.15970	3.5
281.17432	42.4
285.17535	1.4
317.24713	2.8
335.25751	68.6
336.26172	2.2
449.34091	2.6
467.35056	1.9
529.38647	1.6
541.38831	100.0
542.39148	4.4
559.39136	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	559.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32922	1.4
51.02351	1.6
52.24391	1.4
53.03934	9.8
55.01857	2.9
55.05501	27.4
57.03430	12.6
62.68818	1.3
65.03919	5.4
67.05490	87.3
69.03393	1.5
69.07053	20.0
71.04971	3.2
71.08598	1.4
73.19482	1.5
75.72533	1.3
77.03909	2.3
79.05475	95.7
81.03415	7.1
81.07037	82.7
83.04967	13.3
83.08604	10.4
85.06517	2.9
91.05463	72.0
93.07023	100.0
95.04950	25.3
95.08587	57.6
97.06504	4.9
97.10149	5.8
99.08078	1.7
105.04494	4.2
105.07010	54.0
107.04950	9.4
107.08571	34.9
109.06474	7.2
109.10128	19.2
111.08089	3.3
117.07004	12.8
119.08554	34.4
121.06493	3.4
121.10102	19.4
123.08022	8.3
123.11684	6.2
125.09542	2.1
127.07506	2.3
128.06187	2.4
129.06978	17.7
131.08542	12.9
133.06479	1.8
133.10097	16.6
135.11679	13.4
143.08575	10.5
145.10086	17.3
147.08040	3.7
147.11653	40.2
147.12778	3.1
149.13260	8.7
151.11188	2.1
155.08524	2.2
157.10085	3.4
159.11664	8.1
161.09615	5.2
161.13220	15.8
163.14769	1.6
169.10173	3.5
171.11642	34.1
173.13252	3.2
175.14825	2.5
177.12762	1.7
179.14278	3.2
185.13220	2.4
187.14853	1.9
189.12703	10.6
197.13284	1.6
207.13744	35.7
209.13206	2.0
211.14795	1.7
243.21013	3.1
259.20410	1.9
261.22107	10.5
279.15900	3.6
279.23184	1.7
281.17413	67.4
282.17905	2.3
317.24753	3.3
335.25732	67.6
336.26108	2.2
377.07355	1.6
402.42899	1.8
410.48605	1.7
449.34189	2.8
467.35159	2.4
523.38196	1.5
529.38080	1.4
541.38812	99.9
542.39203	5.2
559.40228	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	559.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
53.22236	1.0
55.01862	2.9
55.05254	2.2
55.05503	25.1
57.03431	12.3
57.07060	2.0
65.03918	3.6
67.05495	77.4
69.06722	1.2
69.07059	17.8
69.37895	12.3
71.04967	2.8
73.06522	2.7
78.45387	1.1
79.05478	79.2
81.03396	5.4
81.07043	67.0
83.04974	11.1
83.08607	9.1
85.06521	3.2
91.05464	58.9
92.06287	1.3
92.62027	1.3
93.07027	78.0
94.07415	1.4
95.04945	19.5
95.08592	48.0
97.06501	4.5
97.10143	4.0
98.20690	2.3
99.08054	1.8
103.05472	1.4
105.04457	1.5
105.07011	38.1
107.04935	4.1
107.08570	31.9
109.06482	4.9
109.10130	16.4
111.08083	1.9
112.93273	1.2
115.05473	1.2
117.06992	14.7
117.44489	1.2
119.08569	27.7
121.06517	2.2
121.10114	15.6
123.08071	4.2
123.11687	4.8
125.09562	1.2
127.07528	1.2
128.06226	1.4
129.06998	15.7
130.07825	1.3
131.08539	10.6
133.10115	14.3
135.11674	10.0
137.13147	1.1
141.06967	1.5
143.08539	8.9
145.10100	14.5
147.07994	2.2
147.11665	31.5
149.09586	1.2
149.13234	5.8
156.32074	1.2
159.11639	6.6
161.09550	3.1
161.13222	12.3
163.14790	2.7
171.11664	22.3
173.13235	4.9
175.14796	1.8
177.46484	1.2
179.14343	2.4
185.13156	1.2
187.14758	2.6
189.12695	9.1
195.00330	1.2
201.16331	1.4
207.13770	25.6
243.21098	2.8
261.22107	9.5
279.15891	2.8
281.17438	36.6
282.17783	1.7
314.47787	1.1
317.24606	2.4
335.25757	66.8
336.25977	2.3
449.34250	1.6
467.35092	1.5
541.38824	100.0
542.38898	5.4
559.39520	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.01867	8.7
55.05505	27.2
55.48116	1.5
56.52100	1.2
57.03427	8.6
57.07066	2.3
59.04988	3.1
62.50797	1.3
65.03938	4.5
67.05496	48.8
69.03426	9.7
69.07056	21.0
71.04979	6.3
79.05482	56.2
81.03411	51.3
81.07047	62.1
83.04972	13.8
83.08611	24.2
85.02897	9.7
85.06546	5.7
89.89301	1.3
91.05469	48.1
93.07034	39.6
95.04961	23.7
95.08594	30.4
97.02894	1.7
97.06521	12.6
97.10163	16.0
99.08076	3.9
103.05421	1.8
105.07018	49.9
107.04968	10.3
107.08581	36.6
109.02909	1.4
109.06505	15.4
109.10146	20.6
109.10835	2.3
111.04495	2.2
111.08069	9.4
113.06009	2.8
113.09637	2.2
115.05446	3.5
115.49785	1.4
117.07001	14.6
119.04963	2.3
119.08562	40.2
121.06483	8.3
121.10126	18.6
123.04439	3.5
123.08060	9.9
123.11696	7.0
125.09619	12.2
128.06273	1.9
129.05476	2.6
129.06985	12.1
131.08543	29.2
133.06477	4.6
133.10112	23.5
135.08040	9.5
135.11685	7.0
137.09624	6.1
141.06998	3.8
142.07768	4.8
143.08533	10.5
145.06471	2.8
145.10120	22.7
147.04416	4.7
147.08090	4.7
147.11668	24.9
147.12785	2.1
149.02354	4.7
149.09613	12.7
149.13290	3.6
151.11243	3.8
153.09132	3.2
155.08571	4.8
157.08786	2.7
157.10098	14.6
159.08028	2.7
159.11713	11.5
161.09602	4.4
161.13210	6.6
162.71378	1.3
163.11185	8.8
165.09149	2.3
165.12784	3.6
167.08633	2.2
169.10083	8.3
171.08081	1.7
171.10445	1.3
171.11620	7.5
173.09630	4.8
173.11879	2.6
173.13330	7.6
175.11179	8.8
177.05504	1.8
177.12712	3.3
179.14365	3.9
181.10092	3.5
183.11688	6.5
185.09645	3.0
185.13316	3.1
187.11217	2.9
187.14848	2.8
189.09578	1.4
189.11234	7.2
189.12750	2.7
193.12201	21.6
195.11691	3.8
197.13326	4.1
199.14891	3.9
207.11638	1.7
211.13217	20.3
211.14897	2.2
219.17398	1.7
227.12666	7.0
229.14220	1.8
229.19450	2.3
233.15390	1.6
237.16614	1.4
239.18016	2.7
257.18906	9.0
267.15829	19.5
275.20035	45.7
278.89880	1.5
287.05423	2.0
293.21161	3.6
295.16998	1.5
299.20212	4.5
313.21765	1.8
315.23294	3.7
331.22610	3.3
349.23730	14.9
371.26068	1.8
373.23727	1.9
421.16431	1.6
431.29660	2.9
447.27762	1.4
449.30545	7.3
459.27090	1.8
467.31607	9.7
477.60495	1.4
485.32822	4.7
513.36371	1.4
523.34296	2.5
541.35364	44.6
556.48474	1.5
559.36334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59177	1.3
53.03936	5.6
55.01867	9.4
55.05503	36.1
57.03436	10.2
57.07072	2.1
57.75324	1.3
59.04981	3.7
65.03928	4.0
66.86607	1.5
67.05493	49.7
69.03422	5.0
69.07058	27.2
69.51451	12.9
71.04981	5.8
79.05480	56.5
81.03403	45.1
81.03841	2.9
81.07044	52.1
83.04978	13.2
83.08609	21.9
85.02898	10.7
85.06543	2.3
91.04874	2.9
91.05463	55.9
93.07037	35.1
95.04959	26.2
95.08593	28.9
97.06503	15.0
97.10149	17.2
105.07018	49.5
107.04930	11.5
107.08579	37.0
109.06518	9.0
109.10146	18.0
111.08064	9.2
113.09611	1.8
115.05481	2.1
117.07005	15.6
119.08562	30.6
121.06500	8.2
121.10120	14.9
123.08075	7.0
123.11695	6.7
125.09605	12.3
128.06204	2.8
129.06985	16.7
131.08543	25.2
133.06471	5.4
133.10109	27.0
135.08066	5.3
135.11670	6.8
137.09625	4.7
141.07037	4.2
142.07745	3.1
143.08542	10.8
145.06512	2.9
145.10086	27.0
147.08101	4.0
147.11676	25.5
149.09599	15.5
151.11188	2.5
155.08563	6.1
157.10083	15.0
159.08073	3.6
159.11673	12.8
161.09607	3.3
161.13252	6.5
163.11130	10.5
165.12704	2.7
169.10132	6.9
171.08044	2.3
171.10370	1.8
171.11630	7.3
173.09596	3.4
173.11832	2.8
173.13255	8.3
175.11180	6.4
177.12831	2.0
179.14307	4.5
181.10121	2.9
181.12363	1.6
183.11711	6.4
185.09615	2.8
185.13278	6.7
187.11151	3.8
187.14835	1.8
189.11185	8.7
193.12218	22.7
195.11649	2.9
197.13260	5.4
199.11182	2.0
199.14783	1.6
201.12817	1.8
211.13235	24.5
227.12727	10.6
239.18007	2.1
246.14900	1.5
247.20467	2.4
249.14914	1.6
251.57146	1.6
253.19936	1.6
257.18939	13.2
267.15848	22.2
273.18671	1.8
275.20023	43.9
285.16840	3.5
293.21259	4.5
297.10922	1.5
297.22195	4.9
299.20096	5.7
313.21564	3.5
315.23105	3.8
317.21152	2.8
331.22870	1.8
337.21625	1.7
349.23718	13.6
367.22986	1.7
373.23706	2.0
397.22546	2.4
413.28152	1.7
421.31168	1.9
431.29456	3.8
449.30518	7.1
461.28909	3.3
467.31317	7.5
485.32684	5.7
523.34332	6.4
541.35260	55.3
559.36230	100.0
560.36279	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.5
53.03939	6.6
54.30063	1.1
55.01626	1.4
55.01867	21.3
55.05502	35.5
57.03428	12.2
57.07067	1.8
59.04997	1.8
65.03924	5.1
67.05496	71.0
69.03430	5.6
69.07059	41.7
69.07381	0.7
69.07442	1.3
69.60501	8.9
71.04981	7.7
74.25085	1.2
77.03933	2.2
79.05482	60.1
80.05811	1.1
81.03406	61.5
81.07043	76.3
82.07380	1.8
83.04961	16.5
83.08604	24.7
85.02879	10.5
85.06524	4.2
91.05467	81.3
93.07029	53.0
95.01318	11.1
95.04955	36.0
95.08596	43.1
97.02879	2.5
97.06522	31.3
97.10155	11.4
99.08065	2.9
103.05434	2.2
105.04527	2.5
105.07014	89.6
106.07331	1.8
107.04932	25.1
107.08575	29.8
109.06499	8.1
109.07136	1.2
109.10139	22.7
111.04436	3.0
111.08065	10.4
113.05995	2.0
113.70890	1.1
115.05437	3.6
116.06222	1.6
117.07006	23.9
119.04928	2.1
119.08561	53.7
121.06486	7.8
121.10122	19.5
121.49410	1.1
123.04419	2.6
123.08020	8.3
123.11689	4.9
125.09603	8.7
127.07529	1.3
128.06238	3.6
129.06998	19.3
130.07765	2.0
131.08545	34.4
132.35548	1.0
133.06497	5.7
133.09102	2.5
133.10106	46.5
135.08066	6.0
135.11668	11.2
137.05948	1.3
137.09598	5.4
139.07567	2.2
141.06966	7.1
142.07732	3.6
143.08545	13.1
145.06456	6.5
145.10104	24.8
147.07990	6.8
147.11667	26.7
147.12773	2.2
149.09593	14.8
149.13242	6.4
151.11191	3.3
155.08501	6.0
157.10106	19.2
159.08067	2.1
159.11664	18.7
159.25401	1.2
161.09621	2.2
161.13234	7.7
163.11134	8.1
165.09140	2.8
165.12764	3.8
167.08594	2.1
169.10110	7.6
171.08018	1.7
171.11621	10.9
173.09644	3.8
173.11810	2.0
173.13219	6.5
175.11131	9.7
175.14754	3.0
177.12740	5.8
179.14279	13.3
181.10098	3.2
181.12091	1.9
183.11696	6.6
185.09563	1.5
185.13223	6.8
187.11174	5.2
187.14786	3.1
189.11209	3.8
189.12695	2.9
193.12207	20.7
195.11697	3.3
197.13255	4.6
199.11206	1.4
199.14775	3.3
201.12750	3.0
203.14363	1.4
205.12160	2.8
211.13188	16.6
211.14929	2.2
213.16454	1.5
215.17894	1.7
217.14192	1.6
221.13232	1.9
225.12843	1.5
225.16510	1.4
227.12595	5.6
229.19466	3.3
239.17937	3.8
245.18813	1.3
247.16876	1.5
247.20555	2.8
249.14787	1.9
257.19055	9.8
259.20496	1.7
261.18469	1.4
267.15860	49.9
273.18591	2.2
275.20020	96.4
276.20416	2.8
279.15842	2.9
291.19632	4.1
293.21118	11.8
297.21960	2.2
299.20050	2.6
313.21628	5.8
315.23145	2.1
325.21680	1.8
331.22449	2.2
348.33182	1.2
349.23688	22.5
387.25320	1.4
421.31244	1.3
431.29404	3.9
447.27811	1.5
449.30405	4.9
454.23053	1.3
459.65576	1.5
467.31384	6.4
485.32639	2.8
513.35791	1.6
523.34027	3.3
527.13641	1.2
541.35175	77.1
542.35742	4.7
559.36206	100.0
560.36389	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	558.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
54.28868	1.9
55.05492	8.2
57.03424	9.0
57.07066	29.5
64.87782	2.0
65.03919	2.2
67.05491	17.7
69.07047	9.3
69.41210	19.5
70.06573	2.8
71.04981	3.3
71.08621	21.3
79.05484	10.9
81.03405	45.1
81.07050	21.6
82.13763	2.2
83.04953	9.8
83.08611	19.2
85.02890	12.5
85.06548	2.3
85.10149	9.6
88.07573	2.3
89.06018	3.3
91.05466	16.4
93.07032	6.4
95.04961	14.8
95.08579	14.0
97.10132	6.2
105.07000	10.6
107.04947	3.9
107.08576	4.6
108.48875	1.9
109.06493	2.9
109.10132	5.6
111.08067	7.7
119.08566	9.0
121.10127	5.5
123.11658	2.1
129.07021	4.3
131.08572	5.9
133.10086	3.8
147.08083	2.0
147.11647	10.8
149.09622	2.5
157.10062	8.8
175.11162	8.6
193.12198	31.6
211.13251	52.5
239.23645	2.0
256.26349	2.8
258.76385	1.8
267.15976	9.5
275.29797	1.9
284.26682	4.1
285.16928	38.5
285.26746	2.9
313.27301	62.3
397.02209	1.9
505.38593	8.2
523.39874	100.0
548.01782	1.9
558.53485	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	559.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.0
55.01863	18.5
55.05502	40.5
57.03428	12.0
57.07065	3.4
59.05002	1.6
63.28994	1.5
65.03938	6.4
67.05494	73.2
69.03420	5.1
69.07055	37.9
69.34713	12.5
69.35131	3.6
71.04988	8.5
75.11365	1.2
79.05479	56.0
81.03407	53.9
81.07043	70.8
83.04967	14.2
83.08607	28.8
85.02891	5.2
85.06528	3.7
91.05466	72.0
93.07030	44.8
95.01316	4.0
95.04952	30.0
95.08593	40.2
97.06520	25.2
97.10162	19.0
99.08092	2.3
101.36836	1.4
103.05458	2.5
105.07014	62.7
107.04939	22.4
107.08574	28.3
109.06490	11.3
109.10143	21.0
111.04406	2.4
111.08054	9.5
113.09606	2.4
115.05426	4.3
116.06247	2.3
117.06989	28.0
119.04952	2.1
119.08566	47.8
121.06477	8.5
121.10120	20.2
123.04420	2.5
123.08079	6.7
123.11707	5.3
125.09618	11.1
128.06245	4.9
129.06981	20.9
131.04933	2.4
131.08548	37.0
132.60825	1.7
133.06496	6.6
133.10114	35.0
135.08032	7.6
135.11681	10.9
135.14668	1.5
137.09590	4.1
139.07521	1.8
139.11176	1.8
141.06987	5.5
142.07727	3.7
143.08530	14.6
145.06531	5.3
145.10107	21.6
147.07069	1.5
147.07985	7.4
147.11653	25.0
149.09595	16.5
149.13234	5.1
150.86443	1.6
153.09044	1.6
153.12700	1.5
154.07710	2.2
155.08549	7.0
157.06494	2.1
157.10115	21.7
159.08046	3.7
159.11679	17.2
161.09673	3.9
161.13231	8.6
163.07561	1.9
163.11172	10.1
165.06998	2.4
165.09109	2.3
165.12732	2.5
167.08575	4.2
169.10112	9.9
171.11691	10.6
173.09633	4.4
173.11798	3.0
173.13237	7.1
175.11191	8.9
175.14796	2.4
177.12764	4.8
179.14287	8.7
181.10124	4.3
181.12082	1.6
183.11713	6.7
185.09608	1.7
185.13292	6.1
187.11176	5.1
187.14883	3.4
189.11217	4.4
189.12747	1.7
193.10527	2.9
193.12195	19.3
195.11734	3.2
197.13248	5.3
199.14845	2.5
201.16380	1.9
207.11682	2.2
209.13321	2.6
211.13283	14.0
211.14822	2.4
213.12808	3.3
213.16354	2.1
219.11749	1.6
219.13867	1.5
223.15045	1.9
227.12650	7.4
229.14278	3.0
229.19612	2.8
233.15483	1.8
239.17932	3.2
241.14201	1.8
241.19270	1.7
247.16917	2.1
247.20543	2.8
257.18967	10.0
259.17059	2.2
267.15909	41.8
273.18542	1.9
275.20013	66.9
279.16040	1.8
293.21249	10.0
295.20715	1.7
297.22159	3.5
299.20114	4.1
301.21515	1.5
313.21631	5.8
315.23349	1.8
325.21591	3.4
331.22781	3.6
337.21365	1.7
349.23709	22.3
351.23245	1.7
355.22559	1.6
431.29190	3.6
447.27731	3.4
449.30389	7.6
461.28827	2.5
467.31415	8.0
485.32666	4.4
489.28644	1.5
513.35358	1.7
523.34363	7.1
541.35156	79.0
542.35352	3.6
559.36249	100.0
560.36487	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	558.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82218	0.8
53.03929	4.1
55.01859	3.7
55.05300	0.9
55.05508	11.4
57.03424	6.9
59.00431	0.9
60.76765	1.0
60.96385	1.0
65.03933	1.4
65.58743	0.9
67.05492	30.1
68.05812	1.0
69.03420	2.4
69.07048	8.6
69.58747	7.6
71.04975	1.9
73.96989	1.0
78.09942	0.9
78.16020	0.8
79.05483	34.3
81.03406	38.8
81.06567	1.9
81.07044	25.8
82.07372	1.4
83.04980	8.3
83.08600	14.5
84.08942	0.9
85.06517	1.7
91.05466	28.3
92.05809	1.2
93.07027	31.6
94.07346	1.9
95.04956	20.1
95.08591	13.9
96.05269	1.2
97.02904	1.2
97.06524	4.2
97.10162	3.5
99.04472	1.2
102.87552	1.1
105.07011	26.4
106.07358	1.5
107.04944	6.7
107.08566	12.2
109.06516	4.7
109.10130	4.3
110.06758	1.0
111.04434	1.1
111.08091	4.8
115.05446	1.8
117.06993	5.8
118.07393	1.1
119.08563	20.1
120.08944	1.1
121.06469	3.2
121.10116	6.2
123.08072	3.6
125.09562	1.5
129.06995	12.1
131.08554	8.3
133.06424	1.7
133.10120	10.9
134.10345	1.2
135.08057	1.9
135.11656	2.8
142.07744	1.7
143.08560	4.6
145.06407	1.4
145.10109	8.7
146.06766	1.0
147.07997	2.5
147.11673	18.1
148.12033	1.5
149.05971	3.5
149.09584	3.5
157.10101	6.0
158.08032	1.6
159.11653	2.3
161.09604	2.4
161.11942	1.3
161.13153	6.4
163.11133	1.8
171.11629	9.2
173.13249	1.2
175.11139	5.4
179.14290	1.0
187.11105	1.5
187.14816	2.6
189.12714	4.4
193.12227	11.4
207.11816	1.6
207.13719	9.8
211.13358	1.3
227.12758	1.2
249.14920	0.9
252.53670	1.0
252.60818	1.2
267.15884	41.1
275.20081	3.4
276.20401	3.0
281.17426	38.8
291.19406	1.2
309.25705	1.2
312.73535	1.0
341.09985	2.2
364.94775	1.1
435.28894	1.1
438.71204	1.1
473.28922	100.0
474.29413	3.2
501.30267	1.1
517.37152	1.1
540.34021	3.8
541.35150	1.5
558.35046	13.7
559.36066	3.4
560.97839	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01862	4.7
57.03448	3.2
61.02905	3.1
67.05486	4.8
69.03414	11.7
69.07037	2.4
69.43175	6.7
69.43590	11.6
71.04988	3.1
79.05481	4.0
81.03423	10.4
81.07031	5.4
85.02895	24.7
91.05461	17.2
93.07006	4.7
93.60559	1.8
94.04150	2.5
95.04932	5.8
95.08617	3.5
97.02885	11.0
98.20724	4.4
99.04433	4.4
99.08094	2.8
103.05429	11.8
105.07013	17.2
107.04934	29.8
107.08583	2.9
109.02892	7.0
109.06473	2.3
109.10146	10.0
111.04460	3.4
115.03968	2.6
115.05436	3.6
117.06986	2.9
119.04924	13.4
120.05672	2.3
121.06485	12.4
122.03616	5.7
123.04437	5.3
124.03968	13.3
127.03915	11.6
129.06996	4.4
131.04898	13.7
133.02834	16.6
133.06494	19.0
135.04335	2.6
135.08041	10.6
137.05959	100.0
137.09569	12.9
145.04955	7.1
145.06456	3.8
147.04428	18.4
148.05151	2.3
149.05981	18.0
150.06741	3.5
151.07510	31.6
155.10640	2.2
157.06499	4.2
161.05960	73.0
161.09592	14.2
162.06738	9.0
163.07523	61.1
165.05453	6.7
165.09079	19.5
167.07063	6.8
175.07503	11.0
177.05486	8.1
177.09077	4.1
179.07037	28.3
181.08572	14.8
183.10097	2.4
189.09084	42.4
191.07007	10.1
191.10637	2.5
193.08606	4.5
195.08188	3.2
195.09991	2.3
197.05835	2.5
203.07005	3.6
207.10144	94.7
215.07045	3.2
219.10226	4.6
221.07965	2.3
223.07449	2.4
225.09181	2.5
225.11125	2.4
227.10596	6.5
229.08603	3.7
231.10294	2.5
241.08707	3.0
249.11304	3.7
253.08502	3.3
255.10255	4.4
257.08136	3.7
273.11127	9.7
285.11264	6.0
287.12851	8.5
291.12180	11.3
293.10202	2.5
297.10889	3.8
299.12595	3.3
305.10455	2.4
309.13345	4.6
311.11130	2.2
313.14371	13.7
323.11435	4.0
331.15314	48.4
343.15341	13.0
510.64136	2.0
558.31158	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	558.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01862	4.7
57.03448	3.2
61.02905	3.1
67.05486	4.8
69.03414	11.7
69.07037	2.4
69.43175	6.7
69.43590	11.6
71.04988	3.1
79.05481	4.0
81.03423	10.4
81.07031	5.4
85.02895	24.7
91.05461	17.2
93.07006	4.7
93.60559	1.8
94.04150	2.5
95.04932	5.8
95.08617	3.5
97.02885	11.0
98.20724	4.4
99.04433	4.4
99.08094	2.8
103.05429	11.8
105.07013	17.2
107.04934	29.8
107.08583	2.9
109.02892	7.0
109.06473	2.3
109.10146	10.0
111.04460	3.4
115.03968	2.6
115.05436	3.6
117.06986	2.9
119.04924	13.4
120.05672	2.3
121.06485	12.4
122.03616	5.7
123.04437	5.3
124.03968	13.3
127.03915	11.6
129.06996	4.4
131.04898	13.7
133.02834	16.6
133.06494	19.0
135.04335	2.6
135.08041	10.6
137.05959	100.0
137.09569	12.9
145.04955	7.1
145.06456	3.8
147.04428	18.4
148.05151	2.3
149.05981	18.0
150.06741	3.5
151.07510	31.6
155.10640	2.2
157.06499	4.2
161.05960	73.0
161.09592	14.2
162.06738	9.0
163.07523	61.1
165.05453	6.7
165.09079	19.5
167.07063	6.8
175.07503	11.0
177.05486	8.1
177.09077	4.1
179.07037	28.3
181.08572	14.8
183.10097	2.4
189.09084	42.4
191.07007	10.1
191.10637	2.5
193.08606	4.5
195.08188	3.2
195.09991	2.3
197.05835	2.5
203.07005	3.6
207.10144	94.7
215.07045	3.2
219.10226	4.6
221.07965	2.3
223.07449	2.4
225.09181	2.5
225.11125	2.4
227.10596	6.5
229.08603	3.7
231.10294	2.5
241.08707	3.0
249.11304	3.7
253.08502	3.3
255.10255	4.4
257.08136	3.7
273.11127	9.7
285.11264	6.0
287.12851	8.5
291.12180	11.3
293.10202	2.5
297.10889	3.8
299.12595	3.3
305.10455	2.4
309.13345	4.6
311.11130	2.2
313.14371	13.7
323.11435	4.0
331.15314	48.4
343.15341	13.0
510.64136	2.0
558.31158	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	557.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01853	2.6
55.05257	1.2
55.05505	15.7
57.03431	4.0
57.07063	3.0
59.04992	1.4
65.03937	2.1
67.05495	32.1
68.21934	0.8
69.03425	1.0
69.07064	12.6
69.38741	7.5
71.04980	3.2
79.05484	26.6
81.03407	3.4
81.07047	34.1
82.34060	0.7
83.04972	3.3
83.08603	7.4
84.96007	0.7
85.06517	1.7
91.05470	28.9
92.05801	0.9
93.07029	30.1
95.04961	5.8
95.08592	23.3
97.06517	3.2
97.10155	3.7
99.08073	1.2
103.05460	1.0
105.07015	27.1
106.07329	1.0
107.04953	3.7
107.08580	15.6
109.06509	2.9
109.10135	10.6
111.08099	1.5
115.05464	1.2
116.06285	0.8
117.07006	12.2
119.08569	22.1
121.06508	2.1
121.10136	8.2
123.08058	4.0
123.11705	1.6
125.09662	1.4
128.06218	3.7
129.06985	13.8
130.07764	0.9
131.08549	19.2
131.09497	1.3
133.06453	0.9
133.10101	13.2
135.08047	2.0
135.11685	8.0
137.09644	1.4
140.04202	0.7
141.06961	6.0
142.07808	3.5
143.08546	18.7
144.09235	1.0
145.06490	2.0
145.10106	21.9
147.08032	2.0
147.11682	14.6
149.09624	3.0
149.13255	2.8
151.11172	1.4
153.06996	1.0
153.12660	0.8
154.07770	1.1
155.08521	15.2
156.09351	1.7
157.10112	16.4
158.10880	1.1
159.08044	1.1
159.11679	14.1
160.12007	0.9
161.09636	2.4
161.13213	8.4
163.11194	3.0
165.06931	1.5
166.07809	1.1
167.08572	6.3
168.09392	2.0
169.10103	17.9
170.10931	1.2
171.08032	1.0
171.11664	17.9
173.09663	1.3
173.13229	8.1
175.11179	1.1
175.14812	5.3
177.12724	1.5
178.07819	0.7
179.08571	2.3
181.10091	9.0
182.10919	1.8
183.11655	13.3
184.12404	1.0
185.09665	1.5
185.13243	11.5
187.11176	2.5
187.14777	4.3
189.12762	2.8
189.16449	0.7
193.10175	3.1
195.11674	9.1
196.12422	0.9
197.13249	11.0
199.11115	1.3
199.14795	6.5
200.98801	0.7
201.12848	0.9
201.16414	1.3
205.10075	1.8
207.11694	3.0
207.13797	3.6
209.13216	7.0
211.14798	5.7
213.12819	1.0
213.16399	5.5
217.19490	1.1
219.11627	2.0
219.17438	1.7
221.13274	3.2
223.14812	5.0
225.12828	1.2
225.16389	3.9
227.12801	1.1
227.17905	1.3
231.21077	1.2
233.13188	1.1
235.14816	2.9
235.16972	1.1
237.16373	2.8
239.17932	1.5
241.19550	6.6
247.14738	1.3
249.16335	1.3
251.17981	1.3
253.19446	1.2
257.18997	2.0
259.20599	11.7
261.16382	1.8
261.22144	1.1
269.22778	1.1
275.20120	1.7
277.21915	1.0
279.15936	3.2
281.17383	8.4
287.20224	1.2
295.20587	1.1
297.18802	0.9
297.22003	1.5
299.23602	1.5
307.20441	1.2
309.22086	1.8
311.20102	1.4
311.23718	1.3
313.21637	1.2
315.23285	1.7
319.24350	1.2
321.22031	2.1
323.20129	0.8
323.23676	2.4
325.21310	1.0
327.23068	1.1
333.24380	4.4
335.23828	2.1
337.25262	1.5
339.23334	2.0
341.24600	1.8
349.25134	2.1
353.24811	2.1
377.24747	1.0
419.33151	3.2
429.31604	4.3
435.32306	1.4
437.34204	9.1
447.32541	17.7
455.34814	1.0
465.33664	19.3
483.34589	12.8
501.35681	3.1
503.35364	2.0
509.36304	0.9
511.37704	1.4
521.36200	7.7
527.37360	2.8
529.39001	7.7
539.37274	100.0
540.37616	4.5
557.38403	59.1
558.38458	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.1
53.03932	3.0
55.01844	3.2
55.05259	1.5
55.05503	15.4
57.03429	6.0
57.07067	2.1
61.87463	1.0
65.77161	0.9
67.05495	33.9
69.07061	12.9
69.27341	2.6
69.27750	9.4
71.04986	2.4
71.08606	0.9
71.48833	0.9
79.05482	33.0
81.03407	2.9
81.07042	34.9
83.04970	5.1
83.08609	7.7
85.06503	2.4
91.05466	28.7
93.07028	38.8
95.04956	6.7
95.08591	27.4
97.06509	3.7
97.10160	5.6
99.08094	1.5
105.04496	1.0
105.07014	33.0
107.04923	3.4
107.08572	13.0
109.06512	3.0
109.10143	8.7
115.05428	2.2
117.06995	11.6
119.08568	27.2
121.06509	2.1
121.10123	10.2
123.08015	2.5
123.11706	1.1
125.09609	1.7
128.06204	5.1
129.06989	13.6
131.08545	21.8
132.09451	1.0
133.06462	1.2
133.10117	16.5
135.08031	2.0
135.11647	7.2
137.09610	1.6
139.11136	1.0
141.06969	5.8
142.07741	4.5
143.08540	18.1
145.06458	2.1
145.10104	21.6
147.08032	1.1
147.11664	17.6
149.09589	1.8
149.13249	3.2
153.06897	1.2
154.07773	2.2
155.08530	16.5
156.09332	1.2
157.10097	17.5
157.11282	1.7
159.08061	1.5
159.11656	15.6
161.09564	2.4
161.13223	12.5
165.07028	1.2
166.07870	1.1
167.08543	7.2
168.09332	2.3
169.10114	17.6
171.08124	1.6
171.11661	20.0
173.09702	1.4
173.13249	9.3
175.11310	1.6
175.14787	3.6
179.08542	3.2
181.10098	11.3
182.10901	2.2
183.11676	15.0
185.09586	1.3
185.13205	13.5
187.11130	2.6
187.14784	3.9
189.12753	3.1
193.10117	3.8
195.11644	9.6
197.13263	11.7
199.11237	1.1
199.14847	5.9
201.16356	1.6
205.10301	1.0
207.11719	3.9
207.13808	3.8
209.13211	7.3
211.14752	7.3
213.16458	5.3
217.03094	0.9
217.19624	1.3
219.11673	1.7
221.13310	3.6
223.14824	4.0
225.16397	3.3
229.15933	1.0
235.14737	3.2
237.16370	2.7
239.17931	2.5
241.19521	6.5
247.16942	1.7
257.18915	1.9
259.20581	16.1
261.16367	1.2
264.05798	1.1
277.19199	1.2
279.15775	5.1
279.20920	1.6
281.17343	10.2
283.20554	1.3
285.22116	1.2
295.20657	1.9
297.22034	2.5
311.20255	1.6
311.23615	1.6
315.22968	1.5
321.22095	1.9
323.23636	2.5
325.21701	1.3
325.25284	1.7
327.23227	1.2
331.22638	1.3
333.24261	7.8
335.23730	2.9
337.25131	1.5
339.23215	2.3
349.25336	1.7
351.26974	1.3
353.24707	1.9
367.26334	2.2
405.27884	1.1
419.33026	3.4
429.31454	4.8
437.34003	7.6
447.32574	24.5
465.33691	20.6
483.34625	16.1
485.34192	1.7
493.37604	1.1
501.35550	2.2
511.37662	1.4
521.36389	8.9
527.37213	2.4
529.38739	6.2
539.37244	100.0
540.37811	3.0
557.38306	60.5
558.38678	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	557.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.2
53.03932	3.1
55.01859	2.2
55.05258	1.2
55.05503	15.8
57.03434	5.9
57.07051	2.9
59.04967	0.7
59.19046	0.7
65.03915	1.7
67.05495	29.0
69.03419	1.0
69.07063	13.0
70.05222	3.3
71.04985	3.2
75.04462	0.6
79.05480	27.0
81.03401	1.6
81.07044	31.2
83.04975	3.9
83.08604	8.6
85.06522	2.6
85.20189	0.6
91.05465	29.8
93.07030	29.0
95.04952	6.4
95.08591	23.5
95.09036	0.5
95.09211	0.6
97.06503	2.8
97.10127	3.8
99.08074	1.0
103.05449	0.9
105.07017	27.3
107.04955	3.2
107.08571	15.4
107.52651	0.7
109.06504	2.9
109.10142	7.8
111.08048	2.1
115.05427	1.6
117.06991	13.7
119.08564	26.3
121.06487	2.0
121.10123	9.5
123.08026	3.4
123.11703	1.9
125.09636	1.8
128.06177	4.0
129.05518	0.9
129.06984	15.0
129.07898	1.2
131.08553	22.9
133.06482	1.6
133.10112	14.6
135.08008	1.4
135.11678	7.8
137.09595	1.6
139.11157	0.8
141.06946	7.2
141.09019	0.6
142.07782	2.6
143.08536	18.9
145.06462	2.0
145.10094	20.2
145.11258	1.0
147.08032	1.9
147.11668	16.6
149.09599	1.7
149.13245	3.9
151.11192	1.1
153.06937	1.7
154.07729	1.7
155.08521	16.5
156.09331	2.0
157.06505	0.9
157.10104	17.4
159.08041	1.2
159.11665	15.8
161.09590	2.3
161.13225	10.9
163.11122	1.3
163.14880	1.0
165.07014	1.4
166.07753	1.5
167.08530	6.6
168.09283	2.3
169.10094	20.8
171.07953	0.9
171.11667	21.4
173.09544	0.9
173.13242	11.1
175.11130	0.8
175.14769	4.3
175.91190	0.7
177.12698	1.4
179.08524	2.7
180.09344	1.9
181.10103	10.9
182.10838	1.5
183.11662	17.1
183.13202	1.2
185.09583	1.1
185.13223	13.0
187.11122	1.8
187.14801	4.1
189.12738	2.7
189.16350	0.8
191.14317	0.8
193.10115	3.9
194.10866	0.9
195.11679	9.9
195.13423	1.1
196.12575	0.8
197.09560	0.8
197.13245	12.0
199.11125	2.0
199.14767	8.1
201.12738	1.0
201.16376	2.4
205.10112	1.2
207.11690	3.1
207.13768	3.2
209.13231	8.3
211.11208	1.0
211.14819	6.8
213.16321	8.1
215.14297	0.9
215.17960	0.8
217.19362	0.9
219.11681	0.9
221.13280	3.0
222.13994	0.7
223.14746	4.4
225.16428	4.2
227.14343	1.1
227.17880	1.5
229.15906	0.7
231.17354	1.1
231.21002	1.3
233.13333	1.2
235.14819	2.7
235.16972	1.3
237.16319	3.8
239.14175	0.7
239.17961	2.3
241.19507	6.9
243.21066	0.9
247.14771	0.9
247.16997	2.0
249.16267	1.5
251.14336	0.7
251.17897	1.9
253.19594	1.0
257.18958	2.0
259.20514	12.4
261.16351	1.0
261.22272	1.0
263.17822	1.0
269.18991	0.7
269.22464	0.9
273.18552	0.8
275.20313	0.8
277.21793	0.7
279.15707	4.4
279.21033	1.5
281.17303	9.3
283.20468	1.2
285.21994	1.1
287.20166	1.1
293.18842	1.3
295.20447	1.3
297.18790	0.9
297.22189	1.6
299.20200	1.0
299.23605	1.0
309.21957	1.5
311.20053	1.2
311.23526	1.0
313.21667	1.6
315.23212	1.7
321.22098	1.6
323.23679	2.1
325.21780	1.3
325.25308	1.1
327.23190	1.3
331.22766	0.8
333.24136	4.7
335.23737	2.1
337.21600	0.8
337.25287	1.0
339.22989	2.0
341.24722	1.6
349.25192	1.3
351.23175	1.2
353.24783	2.2
361.24396	0.6
367.26123	1.5
377.24649	1.0
419.33148	2.0
429.31372	3.9
435.32248	1.2
437.34186	10.3
447.32547	20.0
455.35443	0.7
465.33633	23.4
469.81094	0.7
475.35602	0.7
483.34702	14.7
493.37375	0.8
495.34622	0.7
501.35675	2.5
503.35233	1.3
511.37476	2.6
521.36230	8.8
527.37311	2.3
529.38800	7.6
539.37244	100.0
540.37494	2.8
557.38306	58.1
558.38470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03939	2.9
55.01864	9.1
55.05504	23.1
57.03427	4.5
57.07066	0.9
59.04977	1.2
65.03940	2.5
67.05496	31.9
69.03424	4.3
69.07059	18.3
71.04990	3.4
77.03938	0.8
79.05483	32.1
81.02914	0.7
81.03410	21.7
81.07047	30.5
81.84267	0.6
83.01324	1.3
83.04974	8.2
83.08609	12.0
85.02892	1.5
85.06513	1.1
89.84956	0.5
91.05470	30.8
93.07030	24.9
93.07619	1.3
95.01328	0.7
95.04352	0.9
95.04955	12.7
95.08593	15.4
97.02884	5.1
97.06519	7.0
97.10152	12.3
97.10760	0.8
99.04439	0.9
99.08094	1.0
103.05467	1.2
105.04508	0.5
105.07017	23.9
107.04942	10.6
107.07848	1.2
107.08580	18.6
107.19321	0.6
109.02863	1.0
109.06497	5.4
109.10136	8.8
111.04411	1.2
111.08062	3.0
115.05435	2.0
116.06201	0.7
117.07004	12.6
119.04906	1.2
119.08566	16.3
121.06498	5.2
121.10113	8.4
123.04449	1.0
123.08055	4.3
123.11709	1.9
125.05969	0.9
125.09615	9.0
128.06210	2.4
129.06996	8.2
130.07773	1.3
131.04924	1.3
131.08551	14.2
133.06516	3.3
133.10110	12.3
135.04413	0.6
135.08041	4.9
135.11641	7.0
137.09621	1.9
139.07510	0.9
141.06981	2.6
142.07790	2.3
143.08536	6.7
143.44971	0.7
145.06464	3.1
145.10104	18.6
146.10478	0.7
147.08018	4.3
147.11678	7.2
148.11996	0.7
149.09618	6.9
149.13263	1.7
151.11192	1.0
153.06960	0.6
153.09143	2.0
153.12724	1.8
155.08525	3.7
157.06511	1.0
157.10136	7.5
159.08051	2.5
159.11656	7.7
161.09654	2.8
161.13295	2.5
163.11159	9.6
165.09151	1.1
165.12732	1.3
167.08553	1.2
168.09299	0.8
169.10135	3.6
169.12270	0.7
171.08020	1.3
171.10236	1.4
171.11705	4.7
173.09645	2.6
173.11902	0.8
173.13246	3.0
175.11136	4.2
177.12712	1.1
179.14316	2.4
181.10114	1.8
181.12193	1.0
183.11655	4.3
185.09602	2.2
185.13269	3.2
187.11209	2.5
187.14809	1.1
189.11241	6.2
189.12729	1.2
191.10706	0.9
193.10457	0.9
193.12233	5.4
195.07980	0.6
195.11702	1.1
197.09575	1.4
197.13278	2.1
199.11192	1.5
199.14766	1.1
201.12711	1.4
203.14536	0.6
205.12184	1.3
207.11742	0.8
209.09770	0.7
209.11638	1.3
209.13426	1.1
211.11266	1.0
211.13136	0.9
211.14917	1.0
213.12669	1.3
215.10789	0.7
217.12277	0.7
219.13731	4.9
221.13464	0.7
223.13159	4.3
227.12686	10.0
235.14917	0.6
237.16472	0.8
239.14282	0.9
239.18021	1.5
245.19020	1.0
249.14804	1.6
255.17488	1.0
257.18921	6.3
267.15912	1.7
273.18481	7.4
275.20016	17.3
279.17493	0.8
283.15472	1.8
285.22037	0.7
286.32608	0.7
289.17868	0.7
291.19498	28.1
293.21185	1.5
295.20581	2.2
297.18536	2.6
311.19885	0.8
313.21536	5.0
315.19528	1.5
331.22696	2.0
347.22183	1.4
349.23953	0.8
353.21231	0.7
365.23328	0.8
371.22006	1.1
387.25027	0.6
389.23685	0.8
397.22336	0.6
429.27844	0.8
445.25803	3.5
446.11777	0.7
447.28806	3.2
459.27744	0.9
465.29971	5.0
483.31015	3.8
501.31888	0.9
511.34406	0.7
521.32489	1.5
529.35114	1.2
539.33612	17.1
540.33600	1.0
557.34698	100.0
558.13452	0.8
558.35059	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	557.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01863	2.9
55.05505	8.7
57.03423	3.3
57.07064	1.4
59.04995	1.7
67.05495	10.5
67.28177	1.0
68.31706	1.1
69.03419	8.8
69.07066	6.4
71.04981	3.9
71.62085	2.0
77.03967	1.8
79.05479	13.6
81.03410	13.0
81.07045	24.0
83.04966	4.6
83.08591	5.3
85.02895	12.5
85.06534	5.2
89.03918	6.3
91.05464	15.9
92.11649	1.2
93.07033	25.3
95.04946	7.3
95.08587	18.0
97.02878	4.0
97.06503	3.1
97.10152	4.8
99.04433	2.5
105.07011	22.1
107.04937	6.2
107.08584	21.5
109.02877	6.8
109.06524	6.2
109.10143	8.4
110.07137	1.4
111.04415	1.8
111.08076	3.4
115.03958	2.6
117.03362	18.3
117.07000	4.8
119.04939	3.5
119.08570	17.9
121.02881	1.7
121.06493	5.2
121.10136	18.2
123.04363	2.2
123.08038	4.1
123.11680	3.2
125.09599	5.7
127.03883	4.3
128.06198	2.1
129.06978	3.9
130.07794	2.1
131.04930	2.2
131.08540	12.5
133.06485	2.1
133.10123	11.7
134.03607	2.6
135.04408	2.0
135.08028	4.5
135.11658	6.0
137.05966	23.2
137.09583	3.5
139.03873	2.3
141.06979	1.7
141.09077	1.4
142.07770	2.0
143.08542	6.7
145.02827	46.5
145.06477	5.5
145.10092	18.7
147.04388	6.6
147.08044	2.7
147.11644	8.0
149.05972	7.9
149.09596	4.3
149.13211	2.4
151.03868	1.5
151.07530	5.3
151.11208	1.5
153.09091	2.6
155.08554	3.2
156.09277	1.3
157.10100	8.8
159.08022	3.8
159.11682	14.2
161.05937	1.7
161.09612	2.5
161.13206	4.3
163.03941	2.9
163.07520	2.3
163.11140	2.5
165.05402	1.7
165.06833	1.6
165.09074	2.6
167.08514	1.9
169.05052	1.5
169.06494	1.7
169.10120	4.7
171.07965	1.7
171.11670	4.7
173.09578	4.1
173.13240	5.7
175.07484	3.7
175.11165	2.2
177.05441	100.0
177.12727	2.1
179.08530	1.5
181.10052	3.1
183.08022	4.9
183.11693	4.0
185.09587	2.1
185.13220	2.2
186.05469	1.4
187.07503	1.8
187.14848	1.9
189.05356	1.4
189.09076	6.1
189.12669	1.5
191.10583	2.5
193.12202	4.3
195.08012	4.4
195.11699	2.0
197.09641	5.7
197.13300	2.9
199.11201	1.7
199.14793	6.4
201.09140	4.4
201.16357	16.2
203.10655	5.1
203.17905	1.9
205.12309	1.3
205.15933	1.7
207.11732	1.6
209.09578	3.5
211.07481	1.8
211.11261	2.2
212.08212	1.7
213.03918	2.4
213.09096	3.5
215.10637	11.7
217.12236	1.4
217.15930	1.5
221.09753	1.9
221.13333	1.8
223.11169	2.6
225.09042	2.6
225.16394	2.5
226.09871	2.1
227.10654	5.1
229.06343	1.3
229.12195	7.7
233.15309	2.0
235.11212	1.6
235.14684	1.3
238.09645	1.2
239.10712	4.5
241.12190	6.0
243.10117	4.8
247.11279	2.3
250.52905	1.5
251.10667	3.3
252.11377	2.1
253.12256	4.5
255.10182	5.4
255.13661	8.7
257.15240	1.4
265.12296	3.6
267.13730	3.2
269.15332	3.4
271.16882	1.9
273.14850	1.4
278.13043	2.1
279.13721	4.3
280.14621	1.7
281.15311	4.0
288.11481	1.5
292.14581	1.3
293.15237	7.5
295.13116	1.5
295.16858	2.2
297.14798	1.2
307.13330	1.2
307.16721	3.1
317.19016	2.5
321.09732	1.6
321.14908	1.6
321.18454	3.7
331.11819	1.4
339.15973	1.6
345.08282	1.5
349.21591	30.0
367.22687	5.2
377.21143	11.7
385.23672	4.6
395.22119	10.1
403.25296	1.6
405.15326	1.6
435.16553	1.5
441.26120	1.8
459.27347	27.6
521.25128	1.8
539.25873	4.0
557.27075	21.0
561.98456	1.3
563.73425	1.4
579.74316	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1646
Annotation	Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate
Peak:m/z	Relative Intensity
51.02376	0.8
53.03927	1.2
55.01848	1.0
55.05497	0.3
57.03418	0.7
61.02905	1.1
65.03923	0.6
67.05483	1.1
67.61897	0.3
68.99784	0.5
69.03417	2.3
69.23353	0.3
69.65474	0.5
69.65880	1.9
71.04961	0.4
77.03923	0.6
79.05491	0.5
81.03414	1.5
81.07041	1.0
83.04984	0.4
85.02891	6.9
85.06516	0.6
91.03950	0.4
91.05463	1.1
93.07028	1.0
95.04972	2.9
95.08608	0.6
97.02877	3.1
98.20807	0.6
99.04465	0.4
101.50286	0.3
105.03375	17.5
105.04507	0.6
107.04935	0.6
107.08596	0.4
109.02858	1.2
109.06519	0.3
109.10139	0.8
111.04440	1.5
113.18465	0.3
119.04941	0.9
120.08073	0.6
121.02866	0.6
121.06483	0.4
121.10081	0.5
123.04409	100.0
124.04777	0.9
125.09616	0.5
127.03894	1.1
133.10194	0.3
135.04384	1.1
137.05940	0.7
137.09639	0.4
139.03880	44.3
145.04936	1.3
147.04381	3.5
148.04823	0.4
149.05942	0.3
151.03877	10.8
155.06958	0.3
161.06030	0.5
163.03870	2.4
166.08661	0.5
166.10588	0.3
167.07050	0.8
175.03905	3.1
177.05470	1.3
177.77461	0.3
181.04948	1.9
181.06290	0.3
187.03917	0.9
189.05447	0.9
190.62294	0.3
193.04951	0.9
201.05525	0.4
205.04964	1.0
207.06383	0.5
213.05641	0.3
217.04910	1.5
227.07054	0.5
235.06017	0.7
247.05972	0.7
259.05994	0.5
269.08157	1.2
273.07553	6.5
277.07101	0.9
279.83688	0.4
283.08160	1.0
297.07538	0.7
301.09073	1.3
313.09177	0.7
395.11102	0.6
466.13614	0.3
557.28314	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.42
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01620	0.8
55.01863	2.1
55.05503	7.7
57.03429	6.1
57.07066	33.0
61.02892	0.9
61.38461	1.0
67.05494	12.7
69.07060	8.7
70.06581	10.0
71.03865	2.1
71.04223	2.2
71.08621	21.3
72.08121	1.4
73.02895	2.9
79.05480	11.7
81.07043	17.1
83.04967	2.0
83.08597	11.5
85.10166	10.7
86.09660	1.5
88.07596	4.7
89.06018	7.6
91.05458	4.5
93.07028	20.7
95.04967	3.7
95.08591	31.9
97.02872	2.3
97.06496	1.8
97.10145	2.9
99.04433	2.5
99.11749	1.1
102.09150	2.3
105.07019	3.6
106.02412	1.1
107.04926	5.2
107.08582	13.7
109.06528	1.5
109.10115	6.7
111.04424	1.1
117.06988	4.3
119.08554	5.2
119.45179	0.9
121.06501	2.8
121.10139	6.6
123.11736	1.8
125.05967	2.3
130.07803	0.9
132.10173	4.1
133.08557	3.9
133.10112	2.5
135.08014	1.2
135.11667	26.2
139.07567	1.0
145.10095	18.0
146.10599	1.4
146.11751	5.6
161.74568	1.0
163.11148	37.2
164.11571	1.0
177.11186	2.2
181.12198	7.2
203.19438	1.0
227.12744	48.9
238.25304	1.6
256.26300	9.1
257.24805	1.3
269.78244	1.0
272.25766	1.7
283.15347	53.7
283.26254	41.1
300.28922	24.6
311.29373	2.4
313.27307	73.3
314.27847	1.2
318.29874	2.0
361.38562	1.0
371.22705	2.4
494.49939	1.6
500.39017	1.0
521.38318	62.0
522.38031	1.5
556.52930	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
58.61809	0.1
61.02920	0.2
62.75719	0.1
69.03409	0.2
69.60670	0.3
69.61076	1.0
74.04707	0.1
77.03925	0.3
79.05476	0.6
81.03429	0.2
85.02891	0.6
91.05429	0.8
93.06633	0.1
93.07039	1.3
95.04936	0.4
97.02883	0.4
103.05447	5.6
105.07021	0.2
107.04940	1.6
110.07143	0.5
120.08087	100.0
121.06502	0.9
121.08433	1.0
123.04404	0.3
124.07558	0.9
127.03865	0.3
131.04904	2.8
137.06004	0.2
142.08577	0.4
145.04919	0.2
147.04301	0.3
149.05956	2.8
161.05978	0.3
163.03873	0.2
163.07477	0.2
166.08612	57.3
167.07013	3.2
167.08946	0.4
181.08585	1.4
195.10046	0.2
203.04050	0.2
211.09618	4.3
221.05074	0.3
222.05208	0.5
234.99049	0.2
237.02858	0.2
257.08710	0.2
275.09592	0.3
276.09866	0.6
305.10571	0.4
306.10886	0.6
328.10498	0.2
333.09949	0.4
334.10416	0.6
351.11484	0.3
352.11560	0.4
406.99496	0.2
479.12067	0.2
556.24811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72673	0.3
56.05025	2.5
67.05473	0.2
68.04998	0.3
69.04541	0.5
69.07045	0.4
70.06570	0.3
71.29063	0.4
71.29396	0.3
81.04518	1.5
82.05301	1.1
82.06554	0.4
83.06091	11.5
84.04495	0.5
84.08131	18.6
85.02874	0.7
91.05452	0.3
93.04513	9.0
94.06546	0.6
95.06078	4.9
96.08121	1.9
108.05589	0.6
109.06358	0.4
110.07146	100.0
111.05527	0.2
111.07512	0.4
111.09197	0.9
112.07540	0.5
112.08723	1.9
117.03384	0.3
119.04898	0.3
120.08068	0.3
121.03996	0.7
121.06492	0.6
122.07129	0.8
122.09679	0.3
123.04417	0.4
124.08743	0.3
129.10228	5.8
135.09135	0.3
136.07556	0.8
138.06630	1.6
138.10275	0.4
140.83734	0.3
143.18779	0.3
145.02843	0.9
147.04362	0.2
148.07574	0.3
148.08629	0.6
149.05920	0.2
149.10738	0.4
151.08702	0.4
155.08084	0.4
156.07661	4.9
159.09161	0.8
163.03912	0.4
163.08655	0.4
165.05399	0.3
166.06122	0.3
172.07541	0.4
176.11798	6.7
177.05406	2.0
177.10220	0.3
192.11331	0.9
192.26865	0.2
198.19608	0.3
203.12900	0.8
204.11320	0.6
206.11725	0.5
219.12416	0.5
220.10869	1.6
221.13965	1.1
226.26256	0.2
228.11313	0.3
230.12897	0.4
231.12372	40.1
232.12845	0.6
232.15529	0.7
238.16620	0.9
241.28893	0.2
248.15195	0.3
250.14372	0.3
260.09851	0.4
262.11746	0.3
264.14563	0.5
273.13397	0.5
274.12924	0.9
286.97116	0.3
301.12878	1.1
319.13919	1.9
328.16537	1.1
354.15390	0.3
355.17487	0.4
356.16174	0.5
357.16779	0.5
373.18625	1.3
400.15997	0.3
401.18454	1.5
419.19208	2.2
434.52420	0.2
445.18253	1.0
483.23743	0.4
492.23724	0.6
493.21741	0.8
510.24533	0.8
511.22894	1.8
512.26190	0.8
528.25604	0.6
538.24017	16.8
539.24091	0.4
556.25067	62.9
557.25464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01863	3.7
55.39376	0.3
57.03429	5.9
59.04986	0.5
61.02915	4.0
65.03928	2.4
67.01855	0.9
67.05470	0.5
68.99803	0.6
69.03421	11.4
69.27203	2.3
69.27629	1.7
71.01343	1.6
71.04986	1.4
73.02909	21.3
74.09735	0.3
75.04464	0.3
79.05486	0.4
81.03403	5.7
81.07062	0.5
82.03738	0.8
83.04954	0.4
85.02895	24.7
87.04475	1.2
91.03940	1.5
91.05469	100.0
92.05813	0.6
95.04961	2.5
96.05281	0.9
97.02880	21.7
97.06504	0.6
98.03227	0.7
99.04440	1.9
103.03938	1.1
105.03375	0.4
105.07040	0.8
107.04954	0.9
107.08604	0.4
107.68813	0.3
109.02864	3.9
109.10126	0.4
110.07193	0.5
111.04427	1.4
112.04763	0.6
115.03915	8.9
119.04931	0.8
121.02853	48.8
121.06477	0.7
122.03188	15.0
123.04392	0.4
127.03905	8.8
127.04794	0.7
128.04236	0.4
131.04926	1.0
133.04945	13.2
133.10086	0.5
137.02312	0.7
139.03882	8.5
140.04228	1.9
145.04938	9.9
147.04411	3.1
148.04701	0.8
149.02368	0.4
153.01807	12.2
154.02162	3.6
154.03317	0.5
156.12433	0.3
163.06015	4.1
167.03362	1.1
169.04880	0.4
171.02861	7.2
172.03238	2.4
177.05460	0.9
179.03334	0.6
185.77429	0.4
191.03531	0.4
193.05035	0.4
193.15924	0.9
194.80167	0.3
195.02827	3.1
196.03210	1.3
199.05959	0.6
207.06662	0.4
219.02867	0.4
223.05989	1.6
241.07030	2.4
243.02959	0.5
245.08069	10.6
259.08139	1.5
261.04010	0.6
262.04218	0.8
265.07068	4.3
266.07355	4.1
273.07547	7.2
274.07877	7.9
277.09177	0.7
283.08154	2.2
284.08441	1.5
287.05298	0.4
295.10004	0.4
297.07379	0.6
298.07736	0.4
315.08691	0.7
316.08951	1.2
340.09048	0.7
341.42166	0.4
364.08972	0.5
381.09760	0.7
382.09909	1.2
458.05374	0.3
465.68210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.1
52.63093	0.9
53.00277	0.8
53.03943	6.4
55.01867	17.9
55.05504	24.4
56.05828	0.8
57.03426	3.4
57.07069	1.6
59.04977	1.6
62.06081	2.5
65.03928	3.7
67.05495	66.3
69.03412	2.0
69.07059	33.9
71.04977	3.7
71.62949	1.7
73.06547	1.4
77.03906	0.9
79.05483	67.9
81.03409	12.6
81.07047	68.7
83.04972	15.7
83.08605	10.5
85.02925	1.2
85.06531	3.3
86.06084	0.8
86.08135	0.8
91.05470	75.7
93.07030	55.5
94.07338	1.1
95.01318	8.0
95.04958	25.1
95.08595	45.0
96.08944	1.2
97.02918	1.1
97.05894	2.0
97.06519	38.8
97.10136	6.5
99.08074	2.3
103.05447	3.0
103.36764	0.9
105.04510	1.6
105.07015	75.7
105.46177	0.9
107.04940	21.3
107.08577	26.0
109.06497	7.1
109.10136	12.3
111.04422	1.5
111.08080	3.2
113.09646	1.7
115.05421	3.1
116.06260	1.0
117.06998	22.8
119.08562	47.6
121.06516	5.2
121.07265	1.0
121.10117	9.9
123.04449	2.2
123.08039	7.5
123.11691	2.6
125.09635	2.9
128.06223	4.5
128.35051	1.0
129.06984	13.6
130.07716	1.4
131.07578	1.6
131.08557	25.7
133.06508	3.1
133.10115	37.7
135.08044	6.0
135.11688	10.2
137.09578	3.2
139.07532	1.6
141.06976	3.3
142.07771	2.4
143.08551	10.8
145.06490	2.6
145.10100	27.4
147.08025	3.4
147.11668	28.2
149.09615	11.1
149.13277	3.6
151.11192	2.7
155.08502	4.3
157.10110	6.7
159.08063	1.6
159.11670	14.7
161.09645	3.8
161.13246	11.5
163.11147	9.4
165.09111	1.9
165.12753	1.0
167.08492	1.9
169.10110	4.2
171.11658	16.9
171.13115	1.3
173.09624	1.6
173.11986	1.1
173.13220	5.6
175.11275	1.3
175.14815	1.1
177.12711	4.7
179.14279	16.3
181.10059	2.1
183.11650	4.6
185.09590	0.9
185.13155	4.7
185.31754	0.9
187.11174	3.7
187.14830	2.1
189.12692	5.7
191.14424	1.1
195.11781	2.1
195.13644	0.8
197.13287	3.1
199.14856	1.5
201.12761	1.2
205.12299	1.9
207.13792	11.1
209.13173	1.2
213.16350	1.2
215.14427	1.2
215.17934	2.2
219.13797	0.8
225.14915	2.3
229.19460	1.8
233.15321	1.1
237.16347	1.0
239.18002	3.8
239.36028	0.8
241.14157	1.2
241.19548	1.4
247.20622	3.8
247.31166	1.0
257.18991	13.0
259.20663	2.7
263.16382	1.7
275.20020	89.2
276.20526	1.0
279.15857	6.4
281.17535	3.4
293.21161	10.4
313.21802	1.4
331.22632	2.8
349.23547	4.9
445.31161	2.9
445.38464	1.1
463.32019	1.7
469.38885	1.8
487.39548	4.4
495.39572	0.9
505.40842	3.3
527.37354	1.4
537.35712	8.0
537.43494	6.5
555.36798	100.0
556.37201	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	555.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01853	5.7
55.05500	16.6
56.12864	1.4
57.03426	12.4
57.07070	1.6
61.02906	5.5
65.03904	1.7
67.05502	17.4
69.03422	59.5
69.07057	12.8
69.80489	7.3
71.04966	10.4
73.02928	1.9
79.05477	17.4
81.03407	32.7
81.07047	71.0
83.04967	21.0
83.08593	5.9
85.02894	20.4
85.06523	4.5
87.04437	2.0
91.03941	2.9
91.05466	25.3
93.07024	15.1
95.04942	5.6
95.08606	14.9
97.02863	11.4
97.06515	9.5
97.10152	1.6
99.04416	11.2
99.08059	4.5
101.06010	2.0
103.03922	3.3
105.03378	2.2
105.07019	37.7
107.04935	2.1
107.08573	20.2
109.02866	23.1
109.06508	7.9
109.10123	5.9
111.04415	14.6
111.08077	3.4
113.06011	2.0
115.07562	1.8
116.05710	1.7
119.04908	3.4
119.08570	29.8
121.02846	11.2
121.10122	28.1
123.04356	1.8
123.08084	4.2
123.11681	36.3
125.09633	4.5
126.09153	7.9
126.16496	1.5
127.03908	32.8
127.07526	3.9
129.05466	26.4
129.06989	2.4
131.08505	2.9
131.92770	1.5
133.10103	7.9
135.08011	1.7
135.11723	1.8
137.05923	6.6
137.09592	3.2
137.13153	2.2
138.95265	1.5
139.03903	2.7
145.02835	3.0
145.04929	1.9
145.10049	2.8
147.04329	10.9
147.06514	15.1
147.11667	100.0
149.06102	2.0
149.09525	1.5
151.03857	2.3
157.10100	4.8
159.11684	2.1
163.03937	1.7
165.07568	16.1
165.12740	56.5
175.11125	4.7
177.05441	5.7
183.08617	40.9
183.13823	14.7
185.13089	1.9
193.12189	11.4
211.13223	8.3
213.14810	1.6
229.14308	88.1
273.92499	1.6
301.14334	2.6
309.16992	3.7
319.15283	11.1
337.16412	50.1
337.20462	3.0
355.17447	36.0
357.18558	2.0
373.18729	7.9
509.27640	1.7
517.23834	1.8
519.24255	4.2
555.27325	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	555.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.9
55.05486	1.0
57.03401	0.6
65.03921	1.7
67.01586	0.5
67.01856	5.9
67.05499	2.4
68.99761	2.4
69.03423	3.0
69.07056	0.8
69.80183	2.7
70.39938	0.4
79.05463	1.8
80.75730	0.5
81.03405	4.0
81.07050	2.6
83.01298	0.5
83.04955	0.5
83.08612	0.6
85.02879	2.0
85.06534	1.0
91.05464	2.5
93.03398	0.6
93.07027	3.8
95.04929	1.4
95.08586	2.1
97.02889	3.7
97.06507	1.0
99.04400	0.7
105.06995	1.5
107.04906	2.4
107.08579	2.4
109.02850	1.2
109.06499	0.7
109.10137	1.4
111.04404	0.9
119.04914	3.0
119.08542	1.3
121.02849	53.3
121.06471	3.2
121.10139	1.1
123.04405	1.8
123.08026	0.8
125.02307	0.9
125.09591	0.8
127.03878	1.6
129.01797	1.4
129.06947	1.0
131.08537	1.6
133.10080	1.4
135.07974	0.6
135.11684	0.5
139.03885	9.3
143.08533	0.8
145.04916	0.7
145.10071	1.7
147.04385	13.0
147.11655	0.6
153.01802	61.7
157.10095	1.3
159.08069	0.6
161.09618	0.7
163.03815	0.6
163.11176	0.6
171.02861	55.8
173.13216	0.7
179.03371	1.8
183.02879	0.6
183.11772	0.5
184.07323	1.1
191.03473	0.5
195.02872	2.9
197.13239	0.5
219.02858	1.1
231.06645	0.6
236.44334	0.5
261.03809	0.6
265.07059	4.0
273.07529	100.0
274.07849	1.5
283.08310	1.2
298.77866	0.5
302.33597	0.5
315.08450	1.1
339.08502	1.2
363.08618	0.5
381.09570	0.9
555.33813	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.0
55.01853	5.7
55.05500	16.6
56.12864	1.4
57.03426	12.4
57.07070	1.6
61.02906	5.5
65.03904	1.7
67.05502	17.4
69.03422	59.5
69.07057	12.8
69.80489	7.3
71.04966	10.4
73.02928	1.9
79.05477	17.4
81.03407	32.7
81.07047	71.0
83.04967	21.0
83.08593	5.9
85.02894	20.4
85.06523	4.5
87.04437	2.0
91.03941	2.9
91.05466	25.3
93.07024	15.1
95.04942	5.6
95.08606	14.9
97.02863	11.4
97.06515	9.5
97.10152	1.6
99.04416	11.2
99.08059	4.5
101.06010	2.0
103.03922	3.3
105.03378	2.2
105.07019	37.7
107.04935	2.1
107.08573	20.2
109.02866	23.1
109.06508	7.9
109.10123	5.9
111.04415	14.6
111.08077	3.4
113.06011	2.0
115.07562	1.8
116.05710	1.7
119.04908	3.4
119.08570	29.8
121.02846	11.2
121.10122	28.1
123.04356	1.8
123.08084	4.2
123.11681	36.3
125.09633	4.5
126.09153	7.9
126.16496	1.5
127.03908	32.8
127.07526	3.9
129.05466	26.4
129.06989	2.4
131.08505	2.9
131.92770	1.5
133.10103	7.9
135.08011	1.7
135.11723	1.8
137.05923	6.6
137.09592	3.2
137.13153	2.2
138.95265	1.5
139.03903	2.7
145.02835	3.0
145.04929	1.9
145.10049	2.8
147.04329	10.9
147.06514	15.1
147.11667	100.0
149.06102	2.0
149.09525	1.5
151.03857	2.3
157.10100	4.8
159.11684	2.1
163.03937	1.7
165.07568	16.1
165.12740	56.5
175.11125	4.7
177.05441	5.7
183.08617	40.9
183.13823	14.7
185.13089	1.9
193.12189	11.4
211.13223	8.3
213.14810	1.6
229.14308	88.1
273.92499	1.6
301.14334	2.6
309.16992	3.7
319.15283	11.1
337.16412	50.1
337.20462	3.0
355.17447	36.0
357.18558	2.0
373.18729	7.9
509.27640	1.7
517.23834	1.8
519.24255	4.2
555.27325	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	554.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.5
53.04673	1.1
55.05501	28.0
57.03410	1.9
57.07058	2.4
67.05497	10.2
69.03416	8.8
69.07059	23.8
69.84711	2.9
69.85111	5.8
71.04966	4.2
73.02903	2.3
73.84170	1.0
79.05478	4.6
80.96951	1.1
81.03403	5.4
81.07043	36.0
83.04957	3.2
83.08598	7.2
85.02890	19.7
85.06516	5.6
91.03976	1.4
91.05454	5.4
93.07031	13.5
95.04955	2.9
95.08596	41.2
97.02875	8.3
97.06506	4.6
97.10155	100.0
98.21387	1.5
99.04442	3.9
99.08073	3.2
101.05980	2.3
105.03377	5.3
105.07019	9.4
107.04931	1.5
107.08590	15.2
109.02847	5.2
109.06499	4.3
109.10150	20.0
111.08060	2.6
111.11692	4.5
113.09612	3.5
113.49777	1.1
116.97531	1.1
117.07037	1.6
119.08573	8.8
120.08113	1.8
121.02817	6.2
121.06481	2.9
121.10126	16.4
122.03229	1.8
123.04453	2.8
123.08085	2.4
123.11689	20.8
124.03939	1.5
125.09619	24.2
125.13238	1.1
127.03867	6.1
131.04921	6.3
131.08569	2.2
131.59470	1.2
133.10095	7.8
135.08060	1.3
135.11673	7.5
137.05963	2.0
137.09596	4.7
137.13234	3.7
139.11169	6.2
141.09064	1.4
143.08435	1.5
143.10651	33.5
145.02818	2.7
145.04915	7.2
145.10110	4.1
147.04375	11.2
147.11697	6.1
149.05988	1.8
149.09578	1.6
149.13226	5.4
151.11169	3.2
151.14752	6.0
153.12723	2.6
155.10617	1.5
157.10124	1.3
157.12183	2.0
159.11641	4.2
161.09599	5.0
161.13266	4.4
163.06021	4.1
163.11165	2.9
163.14828	1.8
165.09132	3.0
165.12717	3.9
167.07043	2.1
167.14262	1.9
171.10136	4.0
171.11627	1.6
173.13148	1.6
175.14822	3.2
177.05452	7.9
177.12750	2.1
177.16371	12.6
178.05782	4.1
179.10628	3.7
179.14301	2.4
181.04988	2.2
187.14827	1.8
189.09431	1.5
189.11197	11.6
189.12718	1.6
191.14195	2.4
195.17412	13.4
201.16313	2.1
205.15825	1.5
207.10063	1.8
213.12741	1.2
213.18506	8.5
219.17378	1.7
227.09048	2.1
237.18437	2.7
247.17072	1.8
249.97168	1.2
251.16364	1.2
268.08154	1.7
269.17422	1.7
275.23636	1.9
277.21613	3.2
278.56897	1.3
278.59991	1.3
285.22180	2.9
287.05423	10.8
295.22629	3.1
303.23074	11.8
309.24210	17.7
321.24197	71.7
325.11209	4.5
339.25253	68.1
351.14371	2.3
357.26215	7.7
375.27472	1.4
555.28406	2.1
559.18060	1.1
579.20044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
53.68256	0.2
55.01855	0.6
57.03428	0.6
61.02895	0.3
64.57829	0.2
65.03925	2.2
67.01865	1.8
68.99781	1.0
69.03419	2.1
71.04972	0.5
71.14304	0.7
73.02896	0.5
81.03404	7.3
81.07038	0.3
83.01295	0.3
85.02898	4.3
91.05477	1.0
93.07050	0.2
95.04963	5.1
95.08583	0.3
97.02877	5.9
99.04432	1.0
104.24515	0.2
105.03374	0.3
105.06978	0.2
106.60513	0.3
107.04937	0.7
109.02868	2.9
110.38830	0.2
111.04432	2.3
113.16573	0.2
119.04949	1.1
121.02850	100.0
121.06503	0.8
121.25483	0.3
123.04418	0.7
125.02381	0.4
127.03929	2.6
129.01793	0.4
139.03883	15.9
140.52965	0.3
145.04939	1.7
147.04388	4.6
153.01807	23.9
156.78357	0.3
165.01830	0.7
167.03267	0.3
171.02869	13.1
172.71860	0.3
177.01834	0.7
179.03326	0.5
183.02928	0.3
191.03400	0.9
195.02866	7.1
205.05022	0.4
215.03340	0.7
219.02875	1.0
223.06010	0.4
231.06592	0.2
231.29611	0.2
243.02878	0.6
261.03937	2.2
265.07047	12.6
273.07541	22.4
279.04926	0.3
283.08075	5.6
297.07486	1.1
315.08612	2.7
339.08511	1.5
363.08481	1.6
381.09668	2.9
424.83224	0.3
446.86877	0.3
457.08054	0.3
555.27234	0.6
555.41278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90323	0.4
51.02369	1.1
53.03935	5.2
55.01864	0.9
55.05506	0.6
57.03422	1.1
61.02893	0.4
67.01852	4.3
67.05493	0.9
68.99779	2.2
69.03062	0.7
69.03419	8.5
70.16204	1.2
70.16611	0.6
71.04978	1.4
71.07342	0.4
73.02917	0.8
77.03922	0.9
79.05489	3.6
81.03410	17.6
81.07047	1.7
82.32642	0.4
83.04971	0.4
85.02894	7.5
89.03956	0.6
91.05464	1.1
93.07053	0.7
95.04958	8.6
95.08598	1.1
97.02882	12.9
99.04444	2.5
99.12651	0.4
103.03924	0.8
105.03378	100.0
105.07019	1.3
106.03741	0.4
107.08593	0.9
109.02868	10.5
109.06489	0.5
109.10138	0.9
111.00786	1.2
117.03377	1.1
119.08523	0.6
121.02855	4.0
121.10153	0.9
122.03152	0.4
123.04405	9.4
125.02341	1.1
125.09680	0.5
127.03899	10.6
129.01825	0.9
133.10110	1.1
135.04417	2.3
137.02364	0.4
137.05975	3.5
138.06293	0.6
139.03893	1.3
143.10637	0.6
145.02827	2.6
145.04939	3.8
145.10046	0.6
147.04463	0.7
147.14751	0.5
149.09584	0.4
149.13318	0.4
151.03870	1.0
153.01808	50.9
157.06705	0.4
159.04395	0.5
163.03888	17.4
165.01804	1.0
165.09064	0.4
167.03386	0.4
167.14310	1.4
171.02869	30.4
177.01831	1.3
179.03398	3.5
183.02908	1.1
187.03868	1.2
191.03352	1.8
195.02867	14.9
205.05020	0.5
207.06458	0.7
215.03328	1.0
219.02893	2.8
219.17363	0.8
243.02827	1.5
247.05823	0.5
249.07556	27.9
250.07779	0.5
261.03928	5.0
267.08609	5.4
283.08005	1.0
284.08353	0.5
289.07031	64.2
290.07364	1.1
301.06958	0.7
313.06970	3.3
327.21292	0.4
331.08121	5.1
355.08069	2.7
379.08081	3.1
383.07480	0.5
397.09152	4.8
401.08514	0.9
501.11673	0.9
507.15799	0.4
555.28619	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
53.92665	0.3
55.01856	1.1
55.05504	3.6
57.03422	1.3
57.07047	0.6
60.03105	0.3
61.02915	1.4
63.84626	0.4
67.05491	2.2
69.03119	0.4
69.03423	4.2
69.06715	0.6
69.07062	8.8
71.04984	2.2
71.08638	0.5
71.17390	0.5
71.17713	0.6
73.02905	0.8
74.65471	0.4
77.62320	0.3
79.05486	3.9
81.03416	2.1
81.07048	10.2
83.08607	6.6
85.02898	20.1
85.06541	2.7
91.03940	0.8
91.05460	2.2
93.07033	8.6
95.04962	0.7
95.08595	23.8
97.02879	5.4
97.10164	3.3
99.04444	0.9
99.07465	0.8
99.08082	10.9
103.05415	0.5
105.07018	2.3
107.08583	27.0
109.02857	1.9
109.06501	0.6
109.10143	6.2
111.08062	4.8
111.11737	0.4
113.09636	1.2
115.03954	0.5
119.08566	1.5
121.06480	0.6
121.10132	42.6
123.11693	1.3
124.07657	0.4
124.56104	0.3
125.09595	3.0
127.03896	4.5
133.10126	1.0
135.11670	9.5
137.13231	5.2
139.11186	0.8
145.04950	6.8
145.10028	0.4
147.04416	2.0
149.13257	3.5
152.71765	0.4
161.13252	0.4
163.06006	4.5
167.07053	0.4
171.70831	0.4
175.14728	0.5
177.16368	100.0
178.16695	1.2
193.08617	0.5
195.17435	22.0
212.09045	0.4
213.18472	50.8
214.18741	0.4
225.10228	0.4
239.53967	0.4
260.87741	0.4
262.43903	0.4
267.11169	0.6
268.11545	0.9
296.10864	0.4
313.11917	1.9
314.12018	3.0
325.11255	2.0
339.21783	0.4
342.11676	1.0
357.22705	0.5
373.14044	2.5
374.09686	0.7
374.14230	7.8
375.23834	1.8
443.57162	0.4
474.32034	0.5
522.18011	0.6
523.15588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.8
53.03938	2.3
55.01886	1.0
55.05503	1.9
57.03422	0.8
65.03932	2.2
66.91538	0.8
67.01850	1.0
67.05490	4.8
68.07690	0.7
69.03422	5.3
69.07063	2.8
69.69141	1.9
69.69558	4.4
71.04999	4.8
72.69554	0.7
73.02876	0.8
79.05493	8.4
80.21011	0.7
81.02969	1.1
81.03413	12.5
81.07050	17.0
83.05001	4.4
83.08607	1.3
85.02894	7.5
85.06522	3.3
91.05477	7.2
93.07035	14.4
94.04169	1.0
95.04960	7.8
95.08604	11.7
97.02884	9.3
97.06517	2.3
97.10158	0.8
99.04453	1.6
103.05466	0.9
105.02694	1.5
105.03383	22.7
105.07021	13.5
106.03739	0.7
107.04962	1.2
107.08594	11.2
109.02869	4.8
109.06512	1.2
109.10151	8.2
111.04464	2.1
111.08060	3.7
117.03374	0.9
117.07014	1.4
119.04919	1.0
119.08582	7.5
121.02855	89.3
121.06474	1.7
121.10133	7.6
122.03642	1.8
123.04420	3.5
123.08035	1.6
123.11689	2.6
125.09628	4.5
127.03891	5.2
129.06927	1.0
130.07715	1.0
131.04915	1.1
131.08548	6.2
133.09111	1.2
133.10112	20.6
135.11694	1.7
137.05965	100.0
138.06349	1.2
139.03891	16.7
143.08551	1.3
143.10675	5.0
145.04977	2.4
145.10100	12.9
147.04398	2.4
147.11647	4.9
149.09634	1.5
149.13255	4.1
151.03812	0.9
151.07492	1.0
153.01811	7.8
154.08594	1.3
157.10091	2.0
159.11678	9.0
161.13257	2.9
163.03868	3.3
163.07565	3.3
163.11200	4.1
165.12749	0.8
167.07024	3.0
167.14310	9.5
171.02846	7.3
173.13252	2.2
177.05464	1.9
178.05914	0.8
180.06393	0.8
181.08598	12.7
184.07407	1.3
195.02892	3.4
201.16362	12.5
211.09744	0.8
219.02791	1.1
219.17419	9.2
229.14331	1.6
247.05876	0.8
249.07527	5.0
265.07007	8.7
267.08533	1.0
268.89594	0.8
283.08102	24.2
289.07074	13.2
374.28632	1.1
379.07910	1.0
397.09167	1.2
554.31091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
56.96556	0.7
67.05489	2.1
67.43163	0.2
69.07055	2.4
71.42661	0.5
74.52272	0.2
79.05466	0.8
81.07037	2.8
83.01080	0.3
83.08623	0.4
91.05462	0.8
93.07021	1.3
94.07294	0.2
95.04977	0.3
95.08578	2.0
98.97559	0.3
105.07007	1.4
107.08575	1.1
109.10132	2.2
112.22113	0.3
116.98642	0.5
117.07047	0.3
119.08567	1.2
121.10113	0.9
123.11690	0.5
129.07043	0.3
131.08560	1.0
133.10094	0.9
134.99667	0.6
135.11668	0.6
143.08534	0.4
145.10109	1.0
147.11681	0.8
157.10106	0.8
159.11711	0.8
161.13286	0.5
171.11722	0.5
185.13277	0.6
187.14751	0.5
211.14938	0.3
231.13652	0.3
286.47641	0.2
411.21344	0.3
457.30786	0.4
473.27469	0.5
475.31641	3.2
491.28619	0.3
493.32785	4.2
523.96368	0.3
534.35291	0.9
535.33813	0.3
553.34906	100.0
554.35181	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	554.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85569	0.8
53.03938	3.1
55.01857	2.5
55.05500	3.7
57.03155	1.1
57.03423	7.4
57.07072	1.0
58.97404	0.9
59.04979	1.1
61.02904	2.0
65.03922	1.8
67.05489	4.0
67.40507	1.0
67.94545	0.8
69.03425	8.7
69.07057	3.3
71.04987	43.1
71.62521	1.2
71.62896	1.0
73.02894	3.0
75.04459	4.1
79.05488	10.1
81.03413	5.3
81.07042	11.4
83.04974	8.6
85.02895	64.7
85.06523	1.8
86.09689	1.5
87.04448	3.7
91.05471	54.3
93.07033	7.3
94.07420	1.1
95.04942	6.1
95.08601	6.4
97.02882	9.5
97.06524	1.6
97.10153	1.0
99.04438	3.7
99.08084	1.9
105.03373	23.0
105.07015	6.3
107.04944	100.0
107.08587	6.9
109.02859	4.2
109.06511	2.8
109.10163	5.2
111.04403	4.8
111.08089	1.1
117.05520	1.3
117.06976	1.6
119.04938	6.9
119.08563	4.5
121.02863	16.8
121.06496	10.8
121.10122	7.3
123.04419	4.1
123.08079	1.2
123.11694	2.9
127.03917	6.7
129.05466	26.4
129.06927	1.4
131.04926	3.4
131.08521	1.9
133.06480	4.2
133.10100	3.8
135.04411	1.1
135.08067	1.4
135.11688	2.0
137.05942	1.7
137.09613	1.7
139.03893	3.2
139.11180	1.4
145.02838	0.9
145.04970	4.3
145.06454	1.1
145.10112	3.3
146.08127	1.5
147.04413	8.9
147.06502	12.4
147.11676	2.3
149.05956	3.6
149.09618	2.3
154.08607	1.1
159.08099	2.2
159.11656	1.9
161.05945	12.8
161.13242	1.2
163.03897	2.0
163.11140	2.0
164.09166	3.1
165.12672	1.3
167.07036	1.0
173.05956	1.3
177.05472	2.3
181.08568	4.2
184.07361	1.5
187.07500	4.5
191.07024	1.8
193.15862	2.6
195.17535	1.3
199.07561	1.0
201.16364	2.3
205.08583	2.8
213.18454	1.5
217.08511	1.1
219.17307	1.5
223.09653	7.6
225.18401	1.5
229.08594	2.4
249.07527	9.9
265.07019	1.0
266.69547	1.0
267.08667	10.6
283.08090	2.4
309.11807	2.5
321.23798	1.4
337.12772	1.1
339.25296	2.2
482.26028	1.2
580.39142	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10634	1.0
51.67697	0.9
70.31998	1.2
81.07036	1.8
92.57710	0.9
93.07068	1.3
98.21493	2.8
129.06934	0.9
147.11618	1.1
157.97800	1.1
229.73766	1.5
242.14322	1.0
260.37604	1.3
285.65152	1.0
553.32874	100.0
554.33197	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	0.4
55.05494	1.8
55.20467	0.4
57.03421	0.6
67.05492	1.8
69.03419	2.4
69.07051	1.6
71.04975	1.2
71.62164	0.7
71.62569	0.6
79.05486	2.4
79.65017	0.4
81.03415	0.8
81.07053	5.6
83.04980	2.2
83.08601	1.1
85.02879	2.2
85.06529	0.9
91.05466	3.5
93.07034	4.8
95.04961	1.6
95.08607	3.8
95.67954	0.5
97.02895	1.1
97.06516	1.2
99.04429	1.1
105.07010	9.3
107.04936	0.9
107.08582	6.1
109.02850	0.8
109.06503	2.9
109.10161	2.0
111.08047	1.2
115.05430	0.6
117.07005	1.9
118.11904	0.4
119.04918	0.7
119.08569	7.4
120.08916	0.6
121.06501	1.9
121.10115	3.4
123.04416	0.5
123.08048	1.1
123.11694	1.0
125.09649	0.8
127.03893	1.3
128.06224	0.8
129.06978	2.5
131.04892	0.8
131.08546	9.1
131.61356	0.5
133.06453	0.9
133.10121	5.2
135.08072	3.0
135.08945	0.5
135.11694	1.0
137.05969	1.1
137.09636	1.4
141.06978	1.2
142.07791	0.6
143.08536	4.2
145.02681	0.5
145.04895	0.5
145.10110	7.3
145.11156	0.8
147.04424	1.5
147.08041	2.5
147.11674	3.2
149.09619	2.1
149.13235	0.9
151.07591	0.6
153.01834	1.4
155.08554	1.6
156.09453	1.1
157.06491	0.5
157.10107	3.6
158.10904	0.9
159.08032	1.4
159.11697	5.1
161.06020	0.5
161.09624	2.0
161.13254	4.4
163.07507	1.1
163.11200	1.8
163.14767	1.0
165.09036	0.6
167.07126	0.6
167.08530	0.6
169.08653	0.8
169.10091	4.0
171.11673	20.7
172.08821	0.6
173.09599	1.4
173.13237	8.7
174.13676	0.5
175.11182	1.2
175.14804	3.6
176.15210	0.6
177.12715	1.0
183.11722	3.4
183.13118	0.6
185.13235	1.9
187.11145	1.5
187.14879	1.3
189.12720	27.8
190.13127	0.7
191.10617	1.2
191.14284	2.5
193.15891	1.7
195.11722	1.2
197.13257	1.3
199.08583	0.5
199.11177	1.2
199.14819	1.4
201.12740	7.6
201.16344	0.8
203.14352	1.4
205.15961	0.5
213.12764	0.5
215.14334	1.4
217.12163	3.2
217.15865	2.1
219.13777	21.2
220.14047	0.6
225.10165	0.5
225.14795	0.8
227.12694	0.8
229.15858	0.8
233.15436	0.7
245.15428	0.8
255.17381	0.5
257.10352	1.7
262.93051	0.5
267.11237	0.7
289.06006	0.6
299.05722	0.4
305.06403	1.1
313.11826	1.9
341.11191	0.6
355.12646	0.5
364.82913	0.5
373.13913	4.1
379.04456	0.4
387.26843	0.8
391.16122	1.6
405.27844	1.5
423.28888	1.4
435.29181	2.5
441.30035	0.9
453.29764	3.1
471.30911	6.8
489.32050	100.0
490.32196	2.9
507.33115	6.5
535.32532	4.9
553.21075	1.3
553.33691	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01561	1.6
53.03926	7.7
55.01855	5.8
55.05509	8.8
57.03428	14.4
57.07083	1.8
58.83785	1.7
61.02902	7.7
67.05496	10.9
69.03420	55.5
69.07050	5.4
71.01326	1.6
71.04987	11.0
73.02912	10.6
79.05477	21.4
81.03408	52.9
81.07068	10.6
83.04977	19.5
85.02897	24.1
85.06533	2.2
87.04443	7.4
91.03934	3.0
91.05474	11.5
93.07026	48.2
95.04935	7.1
95.08582	8.1
97.02872	21.6
97.06507	7.7
97.10147	6.5
98.03199	2.1
99.04441	30.9
101.05983	3.0
102.53866	1.7
103.03886	2.5
105.07014	56.5
107.04948	3.4
107.08577	100.0
109.02868	30.0
109.06470	5.5
109.10133	6.9
111.04416	21.5
111.08037	7.5
115.03892	5.4
116.04231	2.9
117.07008	8.7
119.04921	1.7
119.07861	2.4
119.08569	19.8
121.02848	4.3
121.06488	22.7
121.10130	36.5
123.04384	3.0
123.08096	3.3
125.09612	3.9
127.03903	28.6
129.05472	17.3
130.07797	3.7
131.08565	8.6
133.04961	2.4
133.10092	6.0
135.08038	13.3
135.11665	18.5
137.05977	2.5
137.09590	2.7
139.07574	2.6
139.11125	1.8
145.04933	2.8
145.10100	49.2
147.04376	3.9
147.06526	10.8
147.08066	3.1
147.11662	6.7
149.05928	5.1
149.09593	13.7
151.07536	3.9
155.08482	2.6
159.11696	2.7
161.05878	2.0
161.09607	5.0
163.11157	99.1
165.07626	14.6
167.07018	3.0
173.09665	10.7
175.07375	2.3
179.10588	2.1
181.12218	18.5
183.08623	29.2
185.11748	2.2
189.09091	5.4
191.10640	93.5
201.09001	2.6
203.10703	3.5
207.10118	3.9
209.11682	34.0
227.12744	59.2
236.05110	1.8
239.10590	2.2
253.12447	2.4
271.13248	5.0
275.12677	3.6
287.02588	2.6
287.05496	33.0
288.05771	28.4
289.06009	36.8
289.14270	5.8
299.12613	8.7
299.37454	1.9
317.13712	16.0
335.14926	24.2
353.15900	83.9
371.17059	9.9
481.27643	2.0
553.21655	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93270	0.6
55.01856	1.2
55.05260	0.6
55.05502	7.8
57.03407	1.6
57.07062	1.7
59.04975	2.4
61.02913	1.4
66.46435	0.6
67.05496	5.0
69.03414	9.3
69.07050	5.5
69.79726	3.0
70.06560	0.6
71.04990	3.1
73.02888	1.3
79.05465	2.4
81.03414	3.9
81.07046	6.2
83.04964	11.9
83.08187	0.9
83.08611	7.5
85.02892	23.1
85.06526	7.7
86.09709	1.4
87.04493	1.4
91.03921	0.6
91.05466	1.7
93.07031	4.0
95.04935	2.3
95.08587	6.0
97.02884	7.3
97.06499	1.1
97.10160	1.1
98.20771	1.2
99.04430	2.5
99.08074	3.2
101.05998	2.2
105.07014	1.8
107.08572	8.1
109.02848	2.5
109.06491	1.3
109.10139	20.0
111.08051	1.9
112.07585	0.6
113.06018	1.0
115.03916	0.6
115.07586	0.7
117.03375	1.2
119.08540	2.6
120.08073	5.0
121.02872	0.6
121.06464	0.7
121.10091	3.3
123.08050	1.3
123.11687	10.6
124.07594	0.6
125.09611	4.8
125.29272	0.6
127.03912	5.5
127.11165	6.6
133.10101	3.1
135.11665	8.3
136.07643	0.7
137.05939	2.8
137.09602	1.7
145.02774	3.6
145.04939	5.2
145.10043	0.8
146.03156	1.5
147.04323	0.8
147.11681	1.2
149.09525	0.9
149.13251	3.6
151.03864	1.0
151.11147	2.4
151.14754	0.8
153.12729	3.4
155.10638	0.7
163.06012	2.1
167.07083	1.1
167.14278	11.2
169.12215	16.8
171.13754	2.5
175.14777	3.1
177.05461	7.7
178.05792	3.3
185.15381	5.6
193.15826	6.4
194.40860	0.6
197.08049	0.7
202.12178	1.4
209.15317	1.4
211.16896	38.1
221.73254	0.7
229.17952	100.0
230.18385	0.7
231.10060	0.8
253.17931	0.9
265.15460	2.1
287.05170	0.7
329.14758	0.9
340.11008	0.8
373.21960	0.6
395.19489	2.1
453.51987	0.7
529.95001	0.6
544.46991	0.6
546.81232	0.7
553.30011	2.3
562.81073	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05745	0.4
69.18436	0.5
70.30722	1.9
94.93038	0.5
112.89577	1.2
119.01891	1.2
120.94466	0.8
157.03406	0.8
161.02884	0.5
164.93481	0.7
169.57399	0.4
192.93004	0.5
206.79257	0.4
210.94022	100.0
211.94431	0.4
223.06567	2.3
241.07634	0.7
265.07608	1.2
271.04218	0.5
281.07187	0.8
293.07141	1.0
296.83209	0.4
305.07001	1.0
311.07919	0.5
342.27234	0.4
342.91003	0.4
353.09119	2.5
364.36905	0.4
371.10159	2.4
373.07037	0.5
381.07874	13.0
422.99167	0.4
553.11682	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01866	6.7
55.05499	33.4
57.03417	5.5
57.07051	6.0
59.04979	5.2
61.02907	5.8
61.73885	2.3
65.03914	3.9
67.05499	24.2
67.95932	2.5
69.03413	29.3
69.07055	43.5
69.99058	2.3
71.04976	20.3
71.62582	2.7
71.62976	2.7
73.02916	4.5
74.24400	2.4
79.05476	25.2
81.03400	20.9
81.07044	78.2
83.04949	10.9
83.08595	10.6
85.02891	65.0
85.06524	10.2
87.04458	3.2
90.69943	2.6
91.05466	23.0
93.06462	4.9
93.07030	80.7
94.07334	5.6
95.04957	19.1
95.08590	67.5
97.02870	22.0
97.06504	18.2
97.10156	50.3
99.04431	8.4
99.08070	6.0
103.03939	3.1
105.03373	20.9
105.07002	33.7
107.04925	3.5
107.08573	69.9
108.08962	3.2
109.02856	22.6
109.06511	12.4
109.10140	63.1
111.04398	6.2
111.08041	8.9
111.11702	8.2
117.06981	6.0
119.04920	10.8
119.08572	28.6
121.02856	36.8
121.06494	15.9
121.10119	92.7
122.06790	3.3
122.10452	8.6
123.04393	7.2
123.08020	11.1
123.11696	27.0
125.05933	2.8
125.09603	15.7
127.03902	18.1
127.57663	2.6
129.06982	3.5
131.04890	5.8
131.08511	11.1
133.10120	41.7
135.08014	11.9
135.11688	44.0
137.05940	9.5
137.09604	19.2
137.13210	3.8
139.07530	3.8
139.11154	27.5
141.09027	2.7
143.08536	5.6
143.10706	15.3
145.02783	8.8
145.04939	21.6
145.10088	22.9
147.04390	54.1
147.07947	2.9
147.11679	17.5
149.05951	2.8
149.09607	18.8
149.13213	23.2
151.03845	4.5
151.07532	4.7
151.11130	13.5
153.01845	4.4
153.12711	8.0
155.10658	5.4
157.10095	7.1
157.12204	6.9
159.11636	13.8
161.09616	9.7
161.13226	8.4
163.03879	10.0
163.05968	10.8
163.07350	3.7
163.11182	20.2
165.09064	8.7
165.12732	6.0
167.07002	5.8
167.10635	8.8
167.14288	4.5
168.07394	2.9
171.11684	6.1
173.13245	7.7
175.07451	3.1
175.11180	9.3
175.14792	20.1
177.01881	3.7
177.05391	14.4
177.12737	7.3
177.16347	2.7
178.05809	6.0
179.10587	3.8
181.12233	19.1
185.13268	3.3
187.14763	4.2
189.09059	3.3
189.11168	3.5
191.03363	3.5
191.14288	5.0
193.12289	4.2
193.15849	30.2
195.06549	3.1
195.13762	5.0
199.11290	2.6
199.13184	4.7
199.14844	4.1
203.12708	3.1
205.10675	2.9
205.12413	3.4
207.13628	3.7
208.09666	5.2
211.16884	48.1
211.66443	3.2
214.14388	4.2
215.17812	3.5
219.02847	6.9
221.15518	3.2
223.13170	4.7
225.74777	2.5
231.77063	2.6
243.02831	3.2
255.20850	3.0
257.08063	4.6
258.08362	6.8
259.09665	2.7
261.03867	7.7
273.21960	7.7
275.20032	7.1
283.20551	9.7
287.05435	3.7
289.21738	5.6
291.23111	15.7
293.21103	22.0
301.21597	36.3
302.17502	2.7
307.22614	9.1
309.09402	3.4
319.18985	5.3
319.22589	52.4
325.23611	8.0
337.23660	100.0
355.24768	16.8
370.03955	3.1
389.39993	2.9
397.09119	6.1
445.25839	6.1
463.27005	20.6
481.27859	18.7
499.28915	2.8
552.23492	10.0
553.23627	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	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00427	0.2
55.05502	0.3
56.05015	0.6
57.53722	0.2
58.06615	0.6
60.08153	6.8
67.05495	0.9
69.03429	0.3
69.07044	0.4
69.59332	1.4
70.10864	0.2
71.07359	3.0
79.05495	1.0
80.67870	0.2
81.03396	0.3
81.07049	1.2
85.02891	0.4
85.06535	0.8
86.09689	29.5
90.61535	0.2
91.05457	0.8
93.07008	1.1
94.06554	0.3
95.04913	0.2
95.07319	0.2
95.08591	1.0
96.08103	0.6
97.06503	0.4
98.98436	2.1
104.10724	11.0
105.03332	0.2
105.07037	0.9
107.08575	0.6
108.08096	0.7
109.06483	0.3
109.10128	0.7
110.09654	1.0
119.08550	0.5
120.04422	0.4
120.08080	0.8
121.02853	0.2
121.10103	0.3
123.08034	0.2
123.11681	0.3
124.07547	0.3
124.99979	19.6
126.16332	0.2
127.03916	0.3
129.06993	0.2
131.08527	0.5
133.10110	0.4
135.11649	0.3
136.07559	0.8
138.09100	1.6
143.00996	0.3
143.08606	0.2
145.10091	0.5
147.04381	0.5
149.02338	0.2
149.09599	0.3
150.09146	0.4
152.06996	0.3
157.10120	0.4
159.11687	0.3
165.09152	0.2
166.08617	1.9
184.07304	100.0
185.07623	0.5
194.08107	0.2
221.10393	0.2
223.12387	0.2
223.14716	0.2
225.10155	0.3
227.11775	0.2
235.08664	0.4
236.09148	0.2
237.10136	1.2
238.10846	0.2
239.08128	0.3
239.11691	0.7
239.13940	0.2
241.21545	0.3
246.75154	0.2
248.09331	0.3
249.10159	0.9
250.10860	0.4
251.08081	0.5
251.11655	1.0
252.08662	0.2
252.12453	0.2
253.09645	0.8
254.10457	0.2
258.10931	0.2
261.10172	0.3
262.10767	0.3
263.11728	0.3
265.09705	1.3
266.10275	0.4
267.11069	0.8
271.10785	0.2
277.09622	0.3
278.10391	0.6
279.07587	0.6
279.11172	1.4
280.11826	0.3
281.09122	0.5
283.10684	0.9
287.13712	0.4
289.09570	1.0
290.10132	0.2
291.11441	0.2
293.08997	0.4
293.12524	0.4
294.09753	0.6
295.10413	0.6
296.11221	0.4
297.12106	0.3
306.09808	0.2
307.10684	0.4
309.12277	0.5
311.10110	1.0
311.13684	0.3
312.10956	0.4
313.11542	0.5
314.12408	0.4
324.10773	0.3
325.12067	0.2
326.12387	1.0
327.13293	1.2
335.10236	1.2
339.13327	8.1
340.10248	0.4
340.13879	0.5
354.11899	0.6
355.12799	2.0
367.12766	4.5
368.12979	0.4
370.73727	0.2
383.88983	0.2
387.14832	0.2
399.15469	0.3
434.22675	0.3
451.20837	0.3
452.24112	1.9
460.18411	0.2
479.20099	0.6
488.17990	1.5
489.18265	0.2
492.20865	0.8
516.30994	0.2
520.20728	15.7
521.20972	1.4
534.31726	2.1
538.21228	0.2
552.22858	7.6
552.32465	7.2
553.22943	0.6
553.31415	0.2
558.34174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.4
56.05026	0.6
56.35302	0.2
57.03425	0.3
58.06612	0.5
60.08156	6.9
67.05495	0.9
67.52934	0.1
69.03444	0.4
69.07059	0.5
69.40794	1.7
71.07362	3.0
71.08564	0.2
79.05480	0.6
81.03413	0.2
81.07047	1.0
82.78607	0.2
83.04973	0.4
83.08619	0.2
85.02897	0.5
85.06480	0.2
86.09695	29.2
91.05476	0.8
93.07047	0.7
95.04948	0.3
95.08578	1.0
97.02872	0.2
97.06503	0.2
98.20750	0.4
98.98456	2.4
104.10732	10.8
105.07001	0.8
107.08576	0.5
109.06516	0.3
109.10136	0.3
117.06987	0.2
119.08577	0.5
121.06393	0.2
121.10114	0.4
121.79976	0.2
123.11707	0.2
123.56002	0.2
124.99989	19.1
131.08580	0.2
133.10127	0.4
139.03899	0.2
139.07555	0.2
143.01010	0.4
143.08542	0.2
145.10126	0.4
147.04433	0.4
153.01825	0.5
157.10101	0.3
158.53444	0.2
159.11646	0.3
159.12906	0.2
161.09543	0.2
161.13272	0.2
165.08980	0.2
171.02916	0.5
171.11682	0.3
183.50642	0.2
184.07315	100.0
185.07599	0.5
187.01613	0.2
190.63623	0.2
223.14786	0.8
236.59236	0.2
258.10977	0.4
273.07507	0.8
294.09470	0.3
412.20694	0.4
416.54810	0.2
452.23904	1.4
516.30688	0.4
534.24426	0.3
534.31842	3.6
552.22784	1.1
552.32623	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	552.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.05019	0.4
58.06611	0.6
60.08153	6.2
61.52749	0.2
67.05486	0.7
69.07053	0.4
70.06595	0.2
71.04974	0.2
71.07355	2.1
71.62256	0.2
71.62679	0.3
76.03950	0.2
76.37952	0.2
79.05489	0.6
81.07054	0.9
83.04944	0.4
86.09692	27.8
90.14750	0.2
91.05460	0.5
93.07023	0.8
95.04990	0.2
95.08580	0.7
98.97830	0.3
98.98447	2.2
101.06983	0.2
104.10725	3.5
105.07005	0.7
107.08551	0.8
109.06519	0.3
109.10152	0.7
117.06984	0.2
119.08546	0.6
121.10132	0.2
124.99983	18.9
131.08525	0.6
133.10088	0.6
135.11636	0.6
143.01003	0.5
143.08456	0.3
145.10114	0.4
147.11621	0.5
159.11674	0.2
171.11661	0.2
184.07310	100.0
185.07587	0.7
187.14854	0.2
194.43872	0.2
258.10999	0.2
439.31866	0.4
446.22806	0.5
458.06790	0.2
464.24139	1.8
518.32361	2.0
534.31244	0.3
549.83234	0.2
552.28461	0.7
553.29352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
56.05030	1.1
56.06408	0.3
57.03427	0.5
57.07084	0.3
58.06605	1.6
59.07371	1.1
60.08154	13.8
67.05492	1.8
69.07055	0.5
71.07363	4.5
79.05470	1.7
81.07034	2.4
83.04961	0.5
83.08619	0.5
83.35252	0.3
86.09692	41.2
89.70272	0.3
91.05451	1.4
93.07029	1.8
95.04979	0.7
95.08575	2.1
98.98450	2.9
100.58399	0.3
104.10725	95.0
105.07019	2.0
105.11068	0.4
107.08573	1.5
109.06493	0.4
109.10129	1.4
117.07011	0.5
119.08576	1.5
121.06518	0.4
121.10103	0.8
123.11736	0.4
124.99982	21.2
129.06952	0.7
129.27452	0.3
131.08540	1.0
133.10103	1.5
135.11703	0.6
143.00977	0.5
145.10092	1.3
147.11642	1.0
149.13254	0.4
155.08426	0.3
157.10085	0.7
159.11696	0.9
161.13228	0.6
163.01547	1.0
171.11693	0.7
173.13271	0.6
175.14851	0.4
184.07307	100.0
185.07607	0.4
185.13269	0.4
187.14825	0.7
191.17902	0.4
199.14902	0.4
215.14255	0.3
223.14711	0.3
258.10968	1.1
262.88434	0.3
393.31537	0.6
411.32309	0.5
420.81323	0.3
421.30933	0.6
434.23004	2.2
436.24377	0.5
439.31854	0.5
446.22974	1.3
464.24023	9.1
500.31311	1.4
516.30695	1.9
518.32367	13.8
534.31934	3.6
535.32373	0.3
552.28131	2.6
552.38495	0.3
553.28870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01856	2.8
55.05501	5.9
57.03434	5.5
57.07067	1.7
57.59418	1.0
58.56078	1.0
59.04998	1.9
61.02923	6.3
65.03931	0.9
67.05504	6.2
69.03075	1.2
69.03428	12.5
69.07063	13.8
70.12289	0.9
71.04985	7.0
71.62211	1.2
73.02905	2.9
79.05484	4.5
81.03422	7.7
81.07047	16.8
83.04971	2.9
83.08610	8.3
85.02893	64.0
85.06519	1.9
87.04469	2.3
91.03949	3.8
91.05445	5.0
93.07031	14.5
95.04974	3.9
95.08592	19.4
97.02877	19.2
97.06527	20.3
97.10164	4.2
99.04450	4.3
99.08089	2.1
105.03368	1.7
105.07016	11.1
107.08576	16.9
109.02848	9.5
109.06507	11.7
109.10143	12.4
111.04471	1.6
111.08092	3.9
111.11701	2.8
115.07579	5.2
119.04933	3.7
119.08566	18.0
121.02874	1.8
121.06522	1.9
121.10140	12.3
123.04392	1.7
123.08060	10.4
123.11687	9.1
125.09624	2.4
127.03901	22.0
127.07581	1.8
129.54938	0.9
131.08560	2.4
133.10115	25.9
133.11067	1.9
135.08052	8.9
135.11679	22.3
137.05962	1.7
137.09607	6.0
137.13272	1.4
139.07506	4.4
139.11163	2.1
141.12761	1.0
145.04944	27.0
145.06139	1.5
145.10139	2.3
147.04395	12.8
147.08064	1.8
147.11690	4.0
149.09627	1.9
149.13222	16.5
151.11192	5.0
153.09137	1.0
153.12726	3.5
155.10719	2.0
157.10191	1.4
159.11667	2.6
161.09625	1.5
161.13274	1.8
163.03925	1.9
163.06021	10.0
163.07553	8.5
163.11160	1.8
163.14761	1.1
165.05528	1.3
165.12773	1.4
167.07018	14.5
167.10631	1.7
173.13268	1.3
175.14816	29.1
177.05524	2.7
177.12753	1.1
187.11130	1.3
191.07002	3.0
191.14290	1.1
193.15860	71.4
196.60509	0.9
209.08142	1.6
211.16902	100.0
213.89357	1.0
221.07973	1.4
221.15359	1.6
227.09128	8.4
269.10126	6.1
271.05801	1.6
273.22180	1.1
289.09213	1.4
291.23114	1.6
293.21057	1.9
301.21524	1.4
319.22583	4.5
325.11288	2.5
335.10999	5.5
337.23724	10.5
337.27472	1.4
347.72635	1.0
353.12256	3.0
355.24750	2.7
376.58054	0.9
481.27933	0.9
520.21057	1.7
540.48022	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43195	0.4
53.50691	0.3
55.05496	1.3
56.05011	0.7
57.03432	0.8
58.06596	1.5
60.08154	16.5
66.17571	0.3
67.05493	1.9
69.07055	0.9
71.04968	0.3
71.07362	5.8
71.08620	0.4
71.62498	0.4
72.51572	0.3
78.99981	0.3
79.05473	1.8
80.42032	0.3
81.03395	0.7
81.07040	2.7
83.04964	0.8
83.08616	0.6
85.02892	0.8
85.06554	0.5
86.09692	48.2
91.05476	1.6
93.07005	2.2
95.04943	1.3
95.08591	1.5
97.06527	0.7
98.98454	2.8
104.10726	100.0
105.06995	1.8
105.11045	0.5
107.08573	1.3
109.06467	0.9
109.10126	1.1
116.54212	0.3
117.07005	0.5
119.08569	1.9
121.06512	0.4
121.10155	1.0
123.04346	0.4
124.99983	26.4
129.05447	0.5
131.08542	0.9
133.10106	1.2
135.08012	0.4
137.09607	0.6
143.01065	0.8
143.08618	0.5
145.06535	0.3
145.10123	0.9
147.11694	0.9
157.10110	0.6
159.11656	0.8
161.09517	0.4
163.01547	0.6
163.11188	0.3
171.11595	0.4
173.09563	0.5
173.13235	0.6
175.11127	0.4
183.11821	0.4
184.07309	94.2
185.07700	0.4
185.13225	0.4
187.14755	0.3
199.14711	0.4
223.14847	1.2
258.11072	0.8
293.69104	0.3
314.61258	0.4
434.22971	1.6
452.24014	12.2
453.24338	0.5
516.30945	3.0
520.20502	0.5
534.31818	18.5
535.31799	0.4
552.32880	19.8
553.31885	0.5
554.13782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.4
55.05476	0.5
57.03386	0.8
58.03691	0.2
58.81015	0.2
61.02873	0.7
66.48198	0.2
67.05470	0.6
69.03419	1.8
69.07058	5.0
70.76923	0.6
71.04957	0.5
73.02869	0.5
79.05441	0.9
81.03354	1.1
81.05716	0.2
81.07042	1.2
83.04917	0.8
83.08556	0.3
85.02889	10.9
85.06519	1.6
86.09659	0.6
90.88470	0.2
91.03898	0.5
91.05466	1.4
93.07035	2.1
94.06535	1.6
95.04938	1.3
95.07335	1.3
95.08590	1.8
96.07568	0.2
96.08117	3.0
97.02878	2.7
97.06470	0.6
97.10123	0.3
99.04433	0.5
103.05421	0.3
105.06953	0.8
107.04916	0.6
107.08530	1.0
108.08102	2.7
109.02821	1.1
109.06462	0.8
109.08817	0.3
109.10094	0.8
110.09668	5.3
111.04395	0.3
111.08057	0.3
111.11698	1.6
119.08540	1.3
120.04460	2.7
120.08100	3.8
121.02809	0.4
121.06436	0.7
121.10075	1.0
122.05968	0.8
122.09627	0.3
123.04371	0.6
123.08025	2.4
123.11645	0.7
124.07516	0.8
127.03901	2.7
129.06912	0.3
129.12688	1.0
131.08562	0.3
132.08029	0.3
133.10031	0.6
135.11630	0.9
135.90233	0.2
136.07549	2.7
137.05899	0.3
137.09555	0.7
137.13235	0.3
138.09116	7.5
145.04939	3.7
146.05992	0.7
147.04317	1.0
147.11606	0.4
148.07504	1.1
149.13211	0.5
150.05482	0.3
150.09119	0.7
151.06213	0.3
152.07076	1.5
152.10603	0.4
157.06442	0.5
158.07156	0.3
160.07538	0.4
161.05945	0.4
161.09583	0.4
163.05978	1.5
163.14764	0.3
164.07039	0.6
165.09085	0.2
166.08618	6.2
167.07018	6.7
171.07816	0.3
173.13188	0.3
175.14819	1.6
176.10583	0.4
177.09053	1.2
180.09991	0.4
181.08617	0.4
184.07303	0.9
189.09052	0.9
191.06943	0.7
193.08647	0.6
193.14186	0.3
193.15858	4.6
194.08096	1.1
196.09689	0.4
197.10695	0.8
198.11534	0.4
201.09134	0.4
202.08568	0.3
203.10579	0.5
205.19514	0.5
209.10701	0.3
211.08519	0.4
211.12024	0.3
211.16884	3.2
212.09363	0.6
213.10146	0.3
218.08167	0.3
220.09846	0.4
221.10672	0.4
223.08655	0.8
223.12274	1.3
223.20465	0.3
224.09384	0.9
225.10236	2.4
226.10814	0.3
227.11740	1.0
233.10611	0.4
235.08548	1.0
235.17027	0.4
236.09467	0.8
237.10185	6.1
238.10881	1.4
239.08162	1.2
239.11755	3.5
241.09601	0.8
241.21521	0.8
245.12859	0.5
247.08456	0.2
248.09335	1.1
249.10176	4.4
250.10925	1.5
251.08109	3.1
251.11740	4.7
251.14325	0.2
252.08936	0.7
252.12495	1.0
253.09680	4.0
253.12410	0.3
253.13518	0.4
253.17969	2.9
254.10402	0.5
255.11188	0.7
257.12823	0.3
261.10205	2.7
262.10974	0.8
263.08203	0.4
263.11765	3.0
264.08841	0.4
265.09677	7.3
265.12866	0.4
266.10318	1.4
267.11230	4.6
268.11917	0.5
269.09137	0.6
269.12799	0.5
271.10773	2.0
276.08810	0.4
277.09760	1.8
278.06369	0.4
278.10486	3.6
279.07602	3.4
279.11221	7.9
280.12033	1.6
281.09186	2.4
281.12756	1.3
282.09900	0.8
283.07983	0.3
283.10742	5.7
284.11240	0.4
285.12323	1.0
287.05322	0.6
287.13989	1.3
289.09604	4.8
290.10394	0.4
291.11127	1.6
292.08176	0.5
293.09061	1.1
293.12784	3.2
294.09964	3.9
294.13202	0.4
295.10684	3.1
295.13873	0.3
296.11569	2.3
297.08728	0.7
297.12317	1.2
298.09521	0.6
299.10120	1.5
300.11090	0.3
306.09720	1.3
306.29074	0.3
307.10571	2.0
308.11453	1.1
309.08884	0.4
309.12253	1.9
310.13031	0.7
311.10159	5.0
311.13803	2.2
312.10999	2.1
313.11783	1.8
314.12518	1.0
315.13019	0.2
317.09052	0.9
319.18970	0.5
321.08691	0.5
321.12347	0.7
323.10135	1.0
323.13785	1.5
324.10947	2.1
325.11752	1.8
326.12555	3.8
327.13339	6.8
328.13968	0.3
335.10226	8.1
336.10602	0.4
337.08231	0.3
337.11829	0.7
339.13339	45.7
340.10480	2.0
340.13824	0.5
341.11459	0.3
342.16022	0.3
343.15485	2.0
352.10468	0.9
353.11136	0.8
354.12024	3.8
355.12631	11.0
367.12833	28.6
368.13034	0.3
371.12323	0.4
373.21957	0.2
376.16342	0.3
383.12164	0.3
386.14835	0.6
387.15451	0.9
387.19949	0.2
388.16058	0.3
399.15387	0.5
402.17917	0.4
414.18390	0.3
416.19702	0.3
424.22205	0.3
430.16809	0.3
436.18320	0.5
442.17648	0.3
447.17905	0.4
448.19788	0.3
451.20908	1.2
458.17017	0.4
460.18887	1.1
461.19400	0.3
464.22333	0.5
474.20251	0.4
479.20407	2.2
488.18130	11.0
492.21274	4.4
502.19516	0.3
520.20721	100.0
521.20984	2.5
538.21808	1.1
552.23334	12.4
553.23444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01862	1.9
55.05506	8.4
55.75117	0.8
57.03431	4.9
57.07071	24.9
63.13682	0.8
67.05161	1.4
67.05498	18.8
67.92308	0.9
69.03427	3.2
69.07059	10.2
69.76633	4.8
69.77066	1.8
71.04986	2.1
71.08630	18.6
79.05484	9.0
81.03410	29.8
81.07046	22.2
83.04980	3.4
83.08607	14.1
85.02897	13.2
85.06555	1.7
85.10179	10.3
91.05466	12.1
93.07030	8.1
95.04955	11.0
95.08599	18.6
97.02895	1.0
97.06556	1.1
97.10145	6.9
99.11718	1.5
104.15179	1.0
105.07015	9.0
107.04961	2.9
107.08578	4.4
109.06518	1.3
109.10144	8.1
111.04432	1.3
111.08051	4.4
111.11682	1.6
117.07014	1.3
119.08558	8.1
121.10126	5.9
123.08044	1.4
123.11709	4.4
129.07004	4.1
131.08530	5.3
133.10136	5.6
135.11731	1.3
137.09656	0.9
137.13307	1.2
145.10141	1.0
147.08003	1.3
147.11679	5.9
149.09610	2.8
157.10153	4.6
165.12790	1.3
173.86253	1.4
175.11180	5.7
193.12215	22.7
193.13829	1.6
211.13255	27.7
267.15872	6.3
267.26791	1.4
297.87930	0.9
341.30478	6.0
533.41888	3.7
551.43054	100.0
552.43311	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	552.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96663	0.1
53.03905	0.2
55.01831	0.2
55.05467	0.3
55.65650	0.2
63.64993	0.1
65.03909	0.3
67.05451	0.6
69.03374	0.6
69.07015	0.6
69.07367	0.2
70.06549	0.2
71.04948	0.4
71.62617	0.1
71.63034	0.2
72.08129	0.2
73.02867	0.3
79.05475	0.8
80.04991	0.3
81.03355	0.4
81.05753	0.2
81.07051	1.3
82.06528	0.4
83.04939	0.3
83.08572	0.3
85.02850	0.7
85.06484	0.6
86.09655	0.6
91.05461	1.9
93.05747	0.3
93.07016	1.7
94.06551	1.4
95.04897	0.7
95.07330	1.1
95.08581	1.1
96.08117	2.5
97.02834	0.5
97.06467	0.6
97.10113	0.2
99.04404	0.2
101.05893	0.2
103.05399	0.2
104.10688	0.3
105.03342	0.2
105.06967	0.8
106.06495	0.2
107.07296	0.2
107.08545	0.8
108.08091	2.6
109.02802	0.2
109.06451	0.3
109.08857	0.2
109.10101	0.7
110.09663	4.5
111.08054	0.3
111.09088	0.2
117.06981	0.2
118.06484	0.2
119.04895	0.3
119.08508	0.5
120.04455	1.4
120.07227	0.2
120.08082	3.8
121.02818	0.4
121.06429	0.3
121.10066	0.6
122.05958	0.7
122.09599	0.7
123.04362	0.3
123.06741	0.5
123.11627	0.6
124.07611	1.3
124.99971	0.3
127.03886	0.4
131.08446	0.2
133.10054	0.7
134.05914	0.3
134.09567	0.2
135.11635	0.3
136.07556	3.5
137.08351	0.3
137.09483	0.3
138.09114	7.5
138.10170	0.4
139.03896	0.3
145.02786	0.2
145.04947	0.3
145.10083	0.3
146.05948	0.6
147.04390	1.7
147.11646	0.3
148.07538	1.1
149.09514	0.4
150.09076	0.7
151.06219	0.4
151.07434	0.2
151.09875	0.2
152.07021	1.3
152.10648	0.6
155.08263	0.2
157.09933	0.2
160.07550	0.2
161.08237	0.2
161.09517	0.4
162.05449	0.2
162.09081	0.2
163.11099	0.4
164.06984	0.7
166.08609	6.9
168.10132	0.2
172.03900	0.6
173.13118	0.2
174.05537	0.2
175.14766	0.2
176.10602	0.3
177.05461	0.8
177.07782	0.5
178.05841	0.2
178.08524	0.2
179.10670	0.3
180.06581	0.2
180.10149	0.6
182.09958	0.2
182.11682	0.7
183.09059	0.2
184.07314	1.6
184.09850	0.3
185.07689	0.2
185.10680	0.3
186.07729	0.2
189.80495	0.2
190.04898	0.4
191.03334	0.2
191.10632	0.2
192.06499	0.3
192.10175	0.5
194.08148	1.1
196.09691	0.7
197.10699	0.9
199.08528	0.2
199.12241	0.3
204.06554	1.0
205.19443	0.4
206.08014	0.2
207.10089	0.2
207.13861	0.3
209.10670	0.5
210.11415	0.3
211.08684	0.4
211.12238	0.4
212.09373	0.7
213.10136	0.5
221.10596	0.5
222.11559	0.3
223.08684	1.1
223.12242	0.7
223.20467	0.3
224.09335	0.7
225.10199	2.3
225.13663	0.2
226.10954	0.5
227.08086	0.2
227.11719	0.6
228.12367	0.2
233.10678	0.2
235.08673	1.2
236.09282	1.0
237.10179	4.8
238.11078	1.2
239.08180	1.4
239.11757	2.3
241.09555	0.8
241.21558	0.5
244.09657	0.4
244.57379	0.2
245.12939	0.4
247.08372	0.2
248.09282	1.0
249.10167	3.8
250.11012	1.6
251.08119	2.3
251.11755	4.0
252.08859	0.7
252.12563	0.8
253.09682	3.4
253.13380	0.4
254.10316	0.5
255.07642	0.2
255.11171	0.8
256.11862	0.2
257.12796	0.2
261.10156	1.5
262.10953	0.5
263.08157	0.4
263.11749	2.0
264.08844	0.4
265.09683	6.1
265.12836	0.3
266.10419	1.2
267.08200	0.2
267.11243	3.5
267.14392	0.2
268.12018	0.4
269.09183	0.6
269.12787	0.6
271.10767	2.1
271.14041	0.3
273.12323	0.4
276.08682	0.2
277.09708	1.5
278.10458	2.4
279.07608	2.6
279.11230	6.6
279.14352	0.3
280.08554	0.4
280.11975	1.6
281.09158	1.7
281.12805	1.5
282.09955	0.8
283.07822	0.3
283.10751	4.5
283.14282	0.5
284.11478	0.5
285.12302	1.0
287.05441	0.6
287.13885	2.2
289.09680	2.9
290.10419	0.3
291.08267	0.2
291.11252	1.3
293.09137	2.0
293.12781	2.7
294.06894	0.3
294.09937	3.4
294.13248	0.2
295.10751	2.2
295.14014	0.3
296.11609	1.5
297.08621	0.5
297.12234	1.4
298.09424	0.5
299.10233	1.9
299.13806	0.5
300.11038	0.4
306.09756	1.0
307.10684	1.6
308.11426	0.8
309.09006	0.3
309.12250	2.2
310.13049	0.3
311.10199	4.6
311.13864	1.2
312.10989	1.9
313.11743	1.7
313.15167	0.2
314.12598	1.5
315.13580	0.3
317.09149	0.5
321.12387	0.5
323.10162	0.8
323.13873	1.1
324.10959	1.5
325.11752	1.6
326.12543	4.0
327.13315	6.4
328.14304	0.3
335.10208	3.9
336.10916	0.2
337.11740	0.7
337.23532	0.2
337.27560	0.2
338.12637	0.3
339.13333	34.4
340.10507	1.3
340.13959	0.4
341.14929	0.4
342.12146	0.2
342.15848	0.3
343.12762	0.3
346.15692	0.2
351.14026	0.2
352.10394	0.7
353.11243	0.5
354.12115	2.3
354.16083	0.3
355.12811	6.7
356.13718	0.3
357.14566	0.3
358.15167	0.2
367.12820	11.3
369.14651	0.4
371.12070	1.5
371.16287	0.9
374.14813	0.3
376.16666	0.4
383.12039	0.2
384.13019	0.3
385.13904	0.5
386.14740	1.7
387.15466	2.4
388.16333	0.2
390.18387	0.3
399.15479	4.0
400.16592	0.2
402.18091	0.3
415.15234	0.2
418.17538	0.3
424.22308	0.4
432.19504	0.3
447.17834	0.4
451.20956	0.8
452.21738	0.2
460.18747	0.6
464.17596	0.2
470.17065	0.3
474.20105	0.4
479.20407	2.0
488.18036	1.9
492.21222	2.1
502.19638	0.3
520.20728	18.6
521.21063	0.3
524.23950	0.6
534.22314	0.3
552.23309	100.0
553.23590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.5
53.04720	2.2
55.05501	12.1
57.07068	10.3
62.09564	2.1
65.03931	3.1
67.05498	24.9
69.07063	18.9
70.28416	1.9
71.08616	2.7
71.11775	5.7
77.23604	2.0
79.05482	19.8
81.07047	34.7
83.08599	8.1
85.06562	2.2
85.77382	2.1
91.05467	33.4
93.06467	3.0
93.07034	51.7
95.04948	6.3
95.08594	38.6
95.09170	4.0
105.07017	64.2
105.46394	2.0
107.07851	3.6
107.08580	56.6
109.06458	2.7
109.10143	40.2
113.19490	2.2
117.06992	13.7
119.08566	100.0
121.10125	51.1
123.11686	15.2
128.06186	5.8
129.06982	11.1
130.07745	5.7
131.08554	27.5
133.10112	54.9
135.11671	41.2
137.09587	5.8
141.06981	4.6
142.07796	10.9
143.08539	21.3
144.09329	4.7
145.10104	62.8
147.11667	21.4
147.86397	2.2
149.13237	8.0
153.06911	2.3
155.08575	7.9
156.09306	9.7
157.10127	30.5
158.10890	5.2
159.11667	30.9
161.13187	13.4
163.11143	3.5
163.14772	2.2
167.08594	4.8
168.09317	3.8
169.10135	18.0
170.10864	3.8
171.11649	20.0
172.12357	2.3
173.13223	26.9
175.14806	43.3
179.08545	5.9
181.10110	8.3
182.10925	6.9
183.11620	15.4
185.13187	12.9
187.14790	16.4
190.47868	2.2
193.10129	6.6
193.15826	3.0
194.10869	5.2
195.11610	10.1
197.13255	21.2
199.14720	6.3
201.16309	10.4
207.11659	6.4
208.12566	2.7
209.13229	12.5
210.14000	3.0
211.14783	10.4
213.16307	6.5
219.11926	2.4
219.17439	7.1
221.13367	5.9
223.14857	11.0
225.16386	6.3
227.18047	3.5
230.44136	2.5
233.13110	2.8
235.14911	5.3
237.16248	5.6
239.17868	5.0
241.19475	3.2
251.17879	2.7
253.19499	4.3
259.20532	3.8
261.16388	3.3
263.17941	3.7
265.19534	4.2
267.21094	5.4
273.16608	3.1
277.19482	3.0
279.21008	2.8
281.22754	2.9
283.20355	2.5
327.07669	8.1
349.25366	3.0
429.31140	3.7
485.03070	2.8
495.26566	5.7
495.35486	4.2
533.40765	4.1
551.42249	34.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01863	0.8
55.05494	2.4
57.03422	1.3
57.07069	1.0
61.02901	0.7
65.03888	0.5
67.05497	3.5
69.03417	4.0
69.07059	3.4
71.04974	1.7
71.62202	0.8
73.02871	0.8
76.99200	0.5
79.05487	3.1
81.03410	3.9
81.07044	7.6
83.04947	1.1
83.08592	2.0
83.66647	0.5
85.02887	4.8
85.06514	2.1
89.03898	2.7
91.05452	4.1
93.07032	5.8
93.42966	0.5
95.04935	3.0
95.08593	7.8
97.02850	1.8
97.06505	2.0
97.10135	1.5
99.04475	1.4
99.08073	2.9
105.07013	5.1
107.08577	8.4
109.02851	2.4
109.06502	1.4
109.10136	3.5
111.04427	1.0
111.08053	2.8
113.09612	0.6
117.03362	12.3
117.07014	1.1
119.04911	1.2
119.08571	3.4
120.08844	0.6
121.02847	2.2
121.06479	2.1
121.10123	10.5
123.04408	8.9
123.08028	1.5
123.11679	1.4
125.09609	2.1
127.03866	1.6
129.06992	0.8
131.04857	0.6
131.08527	1.7
133.06445	1.1
133.10094	2.8
135.04414	1.3
135.07977	0.8
135.11662	2.3
137.05952	2.1
137.09579	1.8
137.13176	1.3
139.03877	5.0
141.07008	0.5
143.08556	0.8
144.80388	0.5
145.02820	37.0
145.10107	1.4
147.04395	5.7
147.07941	0.8
147.11647	2.1
149.05948	5.0
149.09572	1.2
149.13222	1.4
151.03870	0.9
151.11156	1.2
155.08514	0.8
156.09389	0.6
157.10098	1.2
159.11665	1.2
161.05940	1.2
161.09589	1.3
161.13234	1.0
163.03886	2.2
163.11174	1.0
163.14809	0.7
165.05486	4.1
165.09151	0.9
167.07004	1.4
173.05896	0.7
173.13234	0.6
177.05441	100.0
177.16359	11.3
177.17809	1.0
178.05797	0.8
183.10133	0.6
183.11525	0.8
186.05476	1.9
189.09007	0.9
191.03413	2.5
191.07002	0.6
191.10672	0.7
195.06497	2.4
195.17470	2.2
199.14734	0.5
201.09079	0.8
203.17889	1.0
213.18462	3.9
219.10135	3.0
221.18883	1.6
318.21484	0.6
321.09579	2.3
335.22256	1.0
339.10703	7.7
353.23038	0.7
369.13376	1.2
380.38406	0.6
394.15863	0.6
551.20294	0.7
551.35461	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66702	1.1
53.03921	3.3
55.05499	12.0
57.07061	7.7
59.04990	1.2
60.56042	1.1
65.03918	2.5
67.05158	2.1
67.05491	25.6
69.06714	1.4
69.07053	18.1
71.08611	1.5
77.03929	1.2
79.05481	20.3
81.06573	2.5
81.07043	42.0
83.04955	1.1
83.08610	10.2
85.06548	2.5
91.05464	34.5
92.97505	1.1
93.07027	51.4
95.04951	6.0
95.08589	48.4
97.10167	2.4
103.05434	2.4
105.07011	65.4
107.08573	60.3
109.06504	1.8
109.10136	43.3
111.08070	1.3
115.05418	3.2
115.08640	1.1
116.06225	1.9
117.07018	12.5
119.08562	100.0
121.06496	1.2
121.10120	53.2
123.08031	3.3
123.11696	14.1
125.09635	1.7
128.06218	6.8
129.06973	11.0
130.07780	5.8
131.08537	32.7
133.10107	55.6
135.11659	39.3
137.09579	4.2
137.13162	1.9
139.11180	1.7
141.06883	3.1
142.07770	10.4
143.08545	22.3
144.09343	6.3
145.10095	68.2
146.10753	1.2
147.07924	1.4
147.11659	19.7
149.09592	3.2
149.13246	6.2
151.14812	1.6
153.06961	1.3
154.07761	2.4
155.08530	7.6
156.09331	11.4
157.10112	35.4
158.10855	6.0
159.11659	35.2
161.09657	1.7
161.13234	12.5
163.11162	2.9
163.14821	1.6
165.06978	1.9
166.07790	1.3
167.08514	4.4
168.09291	3.6
169.10089	16.4
170.10854	5.5
171.11656	22.8
172.12393	1.8
173.13229	24.8
175.14798	41.4
179.08554	5.7
180.09178	1.4
181.10065	7.7
182.10832	6.4
183.11676	17.8
184.12442	2.5
185.13222	15.1
186.13919	2.1
187.14810	14.5
189.16360	4.6
193.10085	5.4
193.15839	2.2
194.10843	4.4
195.11653	12.4
196.12383	4.6
197.13222	22.2
198.13841	1.7
199.14796	8.8
201.16376	16.9
203.17926	1.6
205.10147	1.3
205.15965	2.3
206.10890	1.5
207.11635	6.3
208.12436	4.2
209.13229	15.3
210.13808	1.6
211.14798	11.0
213.16324	7.7
215.17828	2.7
217.10109	1.3
217.15919	1.5
218.11113	1.2
219.11609	1.9
219.17404	4.7
220.12263	2.0
221.13211	5.3
222.14030	1.3
223.14793	11.9
224.15550	2.2
225.16411	6.4
227.17960	2.9
229.19496	1.5
231.11513	1.4
233.13182	3.3
235.14723	4.8
237.16289	4.8
239.17926	5.6
241.19456	4.8
246.14084	1.6
247.14639	1.5
249.16263	3.3
250.16925	1.3
251.17937	2.1
253.19464	3.5
257.18951	2.4
259.20514	2.8
261.16339	2.3
263.18011	2.8
265.19492	4.3
267.20923	5.7
271.20364	1.8
275.17883	2.5
277.19431	3.7
279.20932	2.3
281.22513	1.3
283.20547	3.3
285.22058	4.4
289.19513	2.1
291.20966	1.7
293.22479	1.4
305.22531	1.5
307.24408	1.3
313.07785	1.4
317.22568	1.7
319.24026	2.3
323.23584	1.2
327.20877	1.9
331.23743	1.3
333.25632	2.3
337.25250	3.6
343.24133	1.4
345.25772	3.9
347.23569	1.5
349.25153	1.5
351.26727	1.4
411.30237	2.0
429.31421	2.5
459.36047	2.4
467.47571	1.3
472.37070	1.9
495.35910	1.7
533.41107	4.3
551.26624	2.9
551.42334	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	551.2844
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
50.02466	0.1
53.03942	0.3
55.01857	0.6
55.05503	1.5
57.03419	0.3
57.07062	0.2
59.04971	0.2
60.08158	0.6
63.02349	0.4
67.05488	1.5
67.57015	0.2
69.03408	1.1
69.06709	0.2
69.07057	3.0
71.04980	0.5
71.07349	0.3
71.08630	0.2
71.62141	0.3
78.04708	0.4
79.05476	1.2
81.03405	2.6
81.07042	3.0
82.07367	0.2
83.04980	1.5
83.08602	0.6
85.02901	1.1
85.06523	0.9
86.09686	1.8
87.10032	0.3
89.03902	4.0
91.05456	1.0
93.07032	1.6
95.04969	0.7
95.08586	3.1
95.55946	0.1
97.02879	0.5
97.06522	0.7
97.10131	0.7
98.98475	0.2
99.04429	0.3
99.08067	1.8
103.05437	0.3
104.10725	1.8
105.06982	0.8
105.11031	0.4
106.04158	0.3
107.04973	0.2
107.08569	1.8
109.02879	1.0
109.06506	0.2
109.10152	1.6
110.10474	0.2
111.08071	0.4
111.11714	0.5
113.09630	0.3
117.03360	13.0
119.04942	0.3
119.08578	0.8
121.02873	0.3
121.06500	0.3
121.10117	1.6
123.04394	1.2
123.08107	0.2
123.11696	0.6
124.99960	1.2
125.09612	1.0
127.03894	0.3
127.11210	0.2
131.04857	0.2
131.08514	0.2
133.06496	0.3
133.10080	0.4
134.03603	0.9
135.04407	1.1
135.08043	0.3
135.11662	0.6
137.06000	0.3
137.09587	0.3
137.13260	0.8
139.03862	0.8
139.11174	0.4
143.08511	0.2
145.02820	38.6
145.10042	0.2
146.03183	0.3
147.04378	0.8
147.08105	0.2
147.11674	0.6
149.05951	5.3
149.09604	0.2
149.13214	0.2
151.11205	0.2
153.12723	0.5
157.10123	0.4
158.05995	0.2
159.11714	0.3
161.05870	0.2
161.09671	0.2
161.13246	0.3
163.03853	0.8
165.05464	0.4
165.12717	0.3
167.07083	0.3
171.11731	0.2
177.05438	100.0
177.16351	2.2
178.05807	1.0
179.10558	0.2
179.14229	0.2
183.11299	0.2
184.07312	4.8
185.07677	1.4
186.05457	1.6
189.12637	0.2
191.03374	0.3
193.12032	0.2
195.06476	1.4
195.17406	2.9
201.09003	0.5
202.96449	0.2
207.13695	0.3
213.18471	2.0
237.07603	0.3
270.10104	0.2
279.08566	0.2
285.10129	0.3
306.69330	0.1
321.09698	2.6
335.25674	0.3
336.25909	0.5
339.10678	5.9
353.26797	0.3
354.27414	0.8
369.13312	0.2
372.28223	0.2
393.76465	0.2
394.47433	0.2
450.18549	0.2
533.60162	0.2
551.30756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11748	0.6
53.03927	1.2
53.90671	0.7
55.01871	1.3
55.05502	2.0
57.03413	2.3
64.11531	0.7
65.03947	1.0
67.05495	1.7
69.03417	7.3
69.07043	1.3
71.04989	6.9
71.62943	1.4
73.02917	1.8
73.57961	0.7
79.05470	3.8
80.37234	0.7
81.03401	5.4
81.07054	3.5
83.04968	1.5
85.02864	4.6
91.05458	8.3
93.07023	8.0
95.04957	2.0
95.08593	6.0
97.02873	3.1
97.06536	1.2
98.05299	0.6
99.04442	19.1
99.53439	0.7
103.05422	1.0
105.07014	98.2
107.04951	1.4
107.08564	6.8
109.02865	2.3
109.06475	2.0
109.10132	3.1
111.04400	1.0
115.03972	1.6
117.06985	1.5
119.04929	1.2
119.08558	6.7
121.02866	1.4
121.06490	3.9
121.10111	2.2
123.04405	1.7
123.08050	10.9
123.11691	3.2
127.03883	2.9
129.07024	1.0
131.04883	0.8
131.08522	3.1
133.06470	5.3
133.10107	72.6
134.10406	0.9
135.08058	1.2
135.11646	2.2
136.07536	3.4
137.05983	3.0
137.09578	2.8
143.08553	2.4
145.10109	6.5
146.07275	1.9
147.04419	3.9
147.08075	0.8
147.11661	1.5
149.09581	1.1
151.03860	0.8
151.07474	5.6
151.11153	4.4
153.01791	2.5
159.07994	1.4
161.09596	51.1
163.03873	1.2
163.11151	59.2
164.07033	3.4
165.05380	1.1
165.09081	1.2
167.06973	1.9
171.02856	1.1
173.13223	1.1
173.75426	0.8
174.87813	0.8
177.05441	1.9
179.10645	100.0
180.10938	1.2
183.08601	1.7
189.09079	14.1
191.06940	0.9
201.67963	0.8
207.10144	15.5
209.15372	0.7
225.11249	3.5
237.14832	0.8
273.07483	3.2
275.11688	0.8
287.05460	8.3
287.13852	1.7
303.78662	0.8
305.13931	0.8
323.14767	1.3
333.13269	1.5
335.22226	1.0
351.14243	5.1
369.15353	6.4
371.16772	2.4
381.11606	1.2
462.13550	0.8
515.30090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01852	3.0
57.03423	2.0
61.02898	1.0
67.05478	0.8
69.03396	2.4
69.80647	1.6
69.81057	3.4
70.36962	0.8
71.04980	3.6
73.02901	2.2
73.60205	0.7
73.69598	0.8
79.05480	6.8
81.03369	1.2
83.04970	1.0
85.02893	7.9
85.06524	1.1
90.04688	1.0
91.05460	4.8
93.07030	1.2
95.04949	2.1
95.08572	1.6
97.02884	1.8
99.04443	10.8
102.04682	0.8
103.05457	19.5
105.07017	67.5
106.07361	0.8
107.04951	2.0
107.08566	3.0
109.10125	1.5
115.05448	14.4
117.06984	1.1
118.04142	7.7
119.04927	2.6
119.08564	0.9
121.10127	1.2
123.08064	1.9
123.11712	1.2
125.09614	1.2
127.03930	1.2
130.04102	0.9
131.04903	12.8
131.08583	1.1
132.05687	1.0
133.02840	1.7
133.06474	58.5
133.10094	3.6
135.11549	0.8
137.05956	4.0
137.09634	1.2
143.04982	1.8
143.06013	3.6
145.04921	1.4
146.03546	0.8
147.04387	5.2
148.05173	8.0
149.13225	1.1
150.99944	0.9
151.11195	1.6
161.05960	100.0
162.06537	0.8
163.03845	2.0
163.07515	10.6
165.09094	0.8
167.07045	0.8
169.12248	2.9
171.11691	1.2
173.05940	2.0
176.04692	1.0
177.05446	1.0
179.07022	1.8
183.13818	2.2
189.12718	1.4
191.07007	71.0
191.14359	2.1
193.08588	46.6
209.08318	0.8
209.15292	2.5
219.13779	1.1
227.08153	1.3
227.16400	15.1
241.09630	1.8
250.08496	0.8
257.12723	1.3
275.95297	0.8
287.05475	24.4
418.30530	0.9
419.09784	3.3
432.85687	0.9
487.30704	4.8
491.16187	3.5
519.15900	6.4
551.18286	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	551.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58481	0.3
52.86587	0.3
54.19341	0.3
65.60091	0.3
69.31368	1.7
69.31811	1.2
91.05501	0.5
94.94785	0.3
97.51278	0.3
105.77244	0.3
115.05437	0.6
117.05754	0.8
117.07014	0.7
118.06528	14.7
130.06555	1.4
132.08072	4.8
142.06499	1.3
142.73770	0.3
143.07301	1.8
144.04463	0.5
144.08066	10.8
144.09209	0.5
146.05984	60.0
147.06326	0.5
159.09169	5.7
160.07603	0.6
170.05992	3.9
171.31265	0.3
188.07037	100.0
189.07381	0.9
205.09694	54.3
206.10043	0.5
227.43475	0.3
265.67886	0.3
395.66455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1754
Annotation	Chalconaringenin 2'-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
53.03926	0.9
55.01855	0.3
55.05497	0.7
57.03418	0.8
61.02921	0.5
67.01515	0.5
67.01858	6.2
67.05477	0.5
68.99774	2.4
69.03416	3.6
69.07048	0.8
71.04607	0.2
71.04980	4.6
73.02913	0.5
74.58781	0.3
76.93504	0.3
79.05474	0.7
81.03405	3.2
81.07048	1.2
83.04962	1.1
83.08626	0.4
85.02902	5.6
85.06525	1.1
87.04461	0.3
89.05467	0.7
89.06022	14.0
91.05489	1.8
93.07027	0.9
95.04947	0.9
95.08582	0.6
97.02877	8.6
97.06519	0.3
97.10184	0.3
98.20692	0.5
99.04437	5.6
99.08092	0.3
103.03933	0.4
103.05483	0.4
105.07001	1.1
107.04931	1.6
107.08578	1.3
109.02858	3.3
109.06477	0.4
109.10138	1.0
109.25761	0.2
111.00794	0.5
111.04418	1.0
111.08042	0.4
117.03280	0.3
119.04937	2.8
119.08545	0.9
121.02842	1.2
121.06489	2.7
121.10157	0.9
123.04423	1.5
123.08060	0.7
123.11671	0.6
125.02327	0.6
125.05946	0.5
125.09628	0.4
127.03912	5.3
129.01782	1.3
133.10098	0.8
135.04420	0.3
135.06514	0.8
135.11623	0.4
137.05972	0.6
137.09563	0.5
139.03900	0.8
139.11150	0.4
145.02875	0.5
145.04947	3.5
145.10115	0.5
147.03218	0.7
147.04390	14.0
147.11569	0.8
149.09636	0.5
151.03873	0.4
151.11150	0.3
153.01808	77.4
157.21597	0.3
159.11713	0.3
161.06001	0.4
163.03885	2.3
165.01834	0.7
165.05417	0.3
165.09062	0.3
165.12654	0.3
166.08632	1.8
167.07018	0.6
169.12230	1.0
171.02870	47.4
173.13188	0.3
177.01753	1.3
177.05467	1.2
179.03377	2.5
183.02904	0.6
183.13809	1.5
189.05341	0.4
191.03398	1.0
191.14294	0.4
195.02875	10.2
207.02768	0.3
207.06665	0.4
209.15378	0.7
215.03348	0.6
219.02878	1.9
222.11508	0.3
227.16382	5.7
231.06468	0.6
233.04445	0.4
243.02881	0.7
261.03964	2.5
261.09723	1.1
273.07535	100.0
274.07813	0.4
287.05417	0.4
289.07019	3.1
297.07690	2.5
303.04968	0.7
315.08606	5.5
339.08545	2.8
357.10632	0.6
363.08566	1.7
381.09644	2.6
399.10535	1.0
413.10895	0.4
431.11877	0.4
444.48355	0.3
497.14084	0.4
515.15411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1389
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
53.03935	0.2
55.01862	1.7
57.03428	2.3
58.95196	0.2
59.04976	0.2
61.02895	0.3
67.05493	0.3
68.99793	0.3
69.03426	1.4
70.77381	0.4
70.77752	0.3
71.01333	0.6
73.02900	1.3
79.05460	0.6
81.03389	0.5
81.07035	0.3
84.08117	0.4
85.02888	2.2
87.04457	0.3
91.05441	0.4
93.07033	0.2
95.04969	0.4
95.08611	0.2
97.02861	0.8
99.04439	0.3
99.23170	0.2
103.03891	0.3
103.05437	0.5
105.03337	0.2
105.07022	3.0
107.04950	0.3
107.08591	0.4
109.02834	0.6
109.10126	0.3
111.00768	0.6
113.32597	0.2
115.03909	1.2
115.05424	0.5
119.08510	0.3
121.02830	1.9
121.06532	0.2
127.03873	0.3
131.04930	0.3
133.02827	0.4
133.04953	1.3
133.06467	2.4
133.10135	0.4
135.04399	0.2
135.08008	0.4
135.11659	0.2
136.07571	0.3
137.02295	0.4
137.05959	0.4
137.09587	0.5
138.06297	0.3
145.04829	0.2
147.04367	0.7
151.11214	0.2
153.01784	2.0
161.05971	4.2
161.09546	0.4
163.07532	0.4
163.11157	0.2
165.01857	1.3
167.06976	0.4
169.06392	0.2
173.13297	0.3
177.05447	0.4
181.04887	0.3
183.02826	0.4
191.07040	1.6
193.08560	2.2
209.08209	0.2
213.05423	0.8
226.53464	0.2
231.06496	0.4
241.04971	0.7
258.05219	0.7
259.05994	0.3
273.04190	0.3
287.05447	100.0
288.05814	1.3
296.97736	0.2
305.11255	0.4
332.95480	0.2
357.10770	0.7
383.07037	0.2
389.29883	0.3
400.05396	0.2
419.09647	16.6
420.10229	0.3
439.38245	0.2
519.16156	0.3
551.12714	1.0
551.21588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1517
Annotation	Antibiotic DC 114C
Peak:m/z	Relative Intensity
53.40278	0.6
54.21155	0.6
63.06794	0.6
63.07127	0.8
69.03413	1.0
71.62029	1.2
76.73074	0.6
81.03410	0.8
85.02880	2.5
87.10665	0.7
97.02872	1.2
98.97562	0.7
103.66216	0.6
109.02875	1.0
119.01862	1.2
121.01666	0.8
122.06902	0.8
127.03886	2.1
131.01898	0.8
135.04121	0.6
135.53081	0.7
143.01976	0.8
145.03494	0.7
167.07010	0.8
175.04312	0.8
223.06647	1.5
225.06493	0.8
239.04373	1.7
265.07758	0.8
267.07306	0.8
306.41815	0.7
367.10562	1.0
369.10907	1.9
551.15137	100.0
552.15472	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1384
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
55.05480	0.2
57.03426	3.8
59.04983	0.2
60.24545	0.2
61.02911	1.1
61.29384	0.2
68.99773	0.4
69.03075	0.3
69.03419	3.8
69.46236	1.6
71.01334	0.5
73.02904	8.2
79.05440	0.2
81.03396	0.5
81.07043	0.2
81.36755	0.2
83.04955	0.3
85.02892	2.0
87.04468	0.4
94.18802	0.2
95.04925	0.2
97.02872	8.6
99.04413	0.4
105.03376	0.3
105.07008	0.7
107.04913	0.3
107.08581	0.2
109.02831	0.3
109.10177	0.2
111.00780	0.5
111.04441	0.3
111.08072	0.2
115.03922	2.8
118.19792	0.2
121.02838	2.0
121.06487	0.2
123.04397	0.2
123.08033	0.2
127.00336	0.2
127.03851	0.4
133.02818	0.5
133.04930	0.4
133.10097	0.5
135.04427	0.4
137.02306	0.7
139.03885	0.4
145.02797	0.3
147.04366	0.6
153.01813	2.6
157.05011	0.3
157.06415	0.2
161.09596	0.7
163.03868	1.2
163.11121	0.3
165.01810	1.4
171.04358	0.3
177.05460	0.4
179.10657	0.2
183.02899	0.8
185.05998	0.4
189.09045	0.2
199.05951	0.3
211.05992	1.3
213.05446	0.7
222.30960	0.2
225.11325	0.2
227.09064	0.2
229.04886	0.2
229.06993	0.4
231.06400	0.4
241.04900	0.7
258.05228	0.7
259.05936	0.2
269.04559	0.3
287.05438	100.0
288.05820	1.5
299.05371	0.7
329.06522	0.8
351.14304	0.3
353.06451	0.4
365.06406	0.2
373.65103	0.2
383.07666	0.8
401.08453	0.4
419.09702	1.5
567.41974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.1
55.05494	0.3
57.03144	0.4
57.03427	7.8
59.04995	0.4
61.02909	1.9
68.99777	0.4
69.03419	6.8
69.30911	2.9
71.01346	1.7
71.04985	0.3
72.85114	0.2
73.02907	14.7
78.36179	0.2
79.05473	0.3
81.03384	0.8
81.40431	0.2
83.04962	0.9
85.02892	8.9
87.04453	0.7
91.03947	0.3
91.05446	0.4
93.07053	0.3
95.04939	0.4
97.02879	13.2
98.03183	0.3
99.04439	1.1
103.03902	0.3
105.03352	0.4
105.06993	0.7
107.04922	0.5
109.02876	0.4
111.00777	0.3
111.04419	0.8
115.03912	10.0
118.44962	0.2
121.02851	2.1
126.01435	0.2
127.03876	1.5
133.02777	0.3
133.04951	4.1
133.06429	0.3
133.10085	0.6
135.04359	0.3
137.02313	0.9
137.05963	0.4
139.03874	1.3
147.04381	1.0
153.01793	3.1
157.04927	2.0
157.06186	0.4
161.09592	0.9
163.03835	0.3
165.01794	1.5
169.04897	0.5
177.05470	0.3
179.10661	0.7
181.04970	0.6
183.02850	0.8
185.05869	0.4
187.06050	0.3
189.08995	0.4
197.05875	0.3
199.06024	0.4
207.10152	0.4
211.06047	1.6
213.05515	1.2
225.11351	0.4
229.07057	2.0
231.06509	0.5
241.04964	0.7
258.04855	0.5
259.05899	0.4
287.05453	100.0
288.05783	2.2
299.05475	1.4
325.07199	0.6
329.06506	1.2
337.06982	0.4
353.06607	1.0
356.73578	0.3
362.17776	0.2
365.06326	0.4
383.07516	1.8
401.08618	0.3
419.09543	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.01848	3.8
55.05306	1.9
55.05500	24.5
56.65828	2.2
57.03428	14.6
57.07056	4.5
58.58453	2.2
67.05492	64.1
67.37354	2.4
69.07061	18.6
69.46888	21.3
71.04982	5.2
78.79311	2.0
79.05055	3.9
79.05479	54.4
80.73842	2.1
81.03389	3.1
81.07044	50.0
81.59622	2.1
83.04946	8.3
83.08592	8.3
85.06498	2.4
91.05460	21.3
93.06462	4.0
93.07024	63.3
95.04953	8.1
95.08599	36.3
97.06525	12.7
97.10149	9.9
105.07021	12.8
107.04953	3.3
107.08575	38.9
109.06495	4.3
109.10120	15.5
111.08076	3.5
111.51205	2.3
117.06992	7.5
119.08562	11.6
121.10139	13.3
123.11689	3.6
131.08511	5.6
133.10088	11.2
135.11665	50.0
135.69188	2.6
145.10085	11.6
147.11699	3.2
149.13321	3.8
153.12775	6.2
159.11656	4.0
161.13222	5.9
163.11160	8.1
163.14803	3.9
181.12183	9.6
199.13248	2.8
214.39372	2.3
243.21100	3.2
255.15851	83.7
261.22040	12.7
317.24802	5.6
335.25729	71.8
515.37219	100.0
550.25867	5.0
550.62659	5.1
569.59308	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	550.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.5
53.03939	2.1
54.38463	1.0
55.05497	16.0
57.07062	9.0
62.37789	1.2
65.03918	1.3
66.25487	1.1
67.05158	2.3
67.05494	28.0
69.07059	34.5
70.98507	2.7
70.98865	2.0
71.08604	3.2
78.00800	1.3
79.05475	13.3
81.07043	60.8
83.04974	2.0
83.08607	16.5
85.10175	1.9
91.05462	19.8
93.07029	37.6
95.04963	4.3
95.08592	74.0
97.06524	3.2
97.10155	11.9
103.05482	1.4
105.07014	56.2
107.08573	48.8
109.06496	2.3
109.10137	71.4
111.11707	7.1
117.07008	13.5
119.08560	30.9
120.08930	1.2
121.06494	1.7
121.10122	39.4
123.11693	28.0
128.06212	4.3
129.06984	9.2
130.07748	1.5
131.08545	27.1
132.09323	1.9
133.10115	38.8
135.08028	1.6
135.11667	26.4
136.12029	1.1
137.13216	11.7
141.06895	3.0
142.07768	4.9
143.08540	23.7
144.09303	2.5
145.10100	37.8
147.11655	35.0
149.05878	1.3
149.09618	3.8
149.13226	31.7
151.14804	3.7
155.08537	7.5
156.09253	2.1
157.10103	29.6
158.10858	1.7
159.08049	1.7
159.11682	32.8
161.09627	2.7
161.13229	25.6
163.11113	4.9
163.14790	12.9
165.16290	2.3
167.08598	1.4
169.10103	10.4
170.10814	1.9
171.11644	19.3
173.09645	2.1
173.13249	18.7
175.11179	2.1
175.14810	12.3
177.09084	1.4
177.12810	1.4
177.16359	8.9
179.10757	1.6
179.14275	1.3
179.17828	1.5
181.10071	1.9
182.10876	1.4
183.11647	8.6
184.07297	1.9
185.09721	1.9
185.13203	14.1
187.11153	3.5
187.14786	18.7
189.12703	3.5
189.16295	7.6
191.10658	4.3
191.17909	25.4
193.12231	2.0
193.19482	2.9
195.11684	3.1
197.13223	8.1
199.11130	1.8
199.14824	13.6
201.09209	1.8
201.12811	2.3
201.16319	8.3
203.10640	5.0
203.14359	4.7
203.17937	13.0
205.12204	3.8
205.15810	4.6
205.19473	16.8
207.13747	4.7
207.21025	1.8
209.11708	6.7
209.13434	2.2
211.14828	7.6
213.12639	1.7
213.16402	3.4
215.10614	2.8
215.14253	3.9
215.17917	2.6
217.12207	10.4
217.15726	2.4
217.19501	12.9
219.13760	4.4
219.21043	2.8
225.16331	4.0
227.14166	1.7
227.17938	2.9
229.12199	2.7
229.19530	2.0
231.13753	15.1
231.21021	12.9
233.15350	10.0
233.22658	2.1
237.16652	1.7
239.17976	2.2
241.19487	2.3
243.13785	6.0
245.15404	9.3
245.22554	2.3
247.16872	5.2
249.14882	3.4
253.19621	2.9
255.13516	1.5
257.15314	3.1
259.16879	2.9
259.24139	1.3
263.16449	4.7
265.19406	1.5
267.21078	1.4
271.16953	2.5
279.20828	1.4
281.22714	3.2
283.16901	1.7
285.18347	1.9
290.07935	1.3
297.18539	2.1
297.22141	1.6
299.20071	2.3
299.23557	1.8
311.20087	3.0
313.21555	2.6
317.21173	2.2
325.21436	3.3
327.23041	5.8
335.27219	1.5
341.24643	1.8
343.22589	2.2
345.24026	2.8
353.24588	1.8
355.26273	3.8
359.25507	1.5
381.27835	5.8
391.33447	8.0
393.35046	3.0
399.28723	3.1
409.34583	22.1
419.33179	2.4
427.35596	1.8
437.28009	2.7
437.34100	94.6
455.35138	100.0
456.35617	2.5
473.36401	6.5
550.41040	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	550.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.0
53.03932	4.5
55.01866	3.5
55.05488	17.9
57.03425	5.7
57.07054	6.5
65.03912	2.8
67.05492	23.3
69.03414	7.2
69.07053	18.9
71.04971	8.2
73.83713	2.4
79.05474	19.7
81.03304	1.9
81.07040	60.0
83.04969	43.7
83.08594	12.8
85.06535	7.6
87.04440	2.7
90.87369	2.2
91.05458	30.1
93.07024	59.9
95.04952	4.9
95.07971	3.9
95.08587	79.3
97.06513	7.2
97.10151	4.7
98.21497	5.3
99.08098	5.2
101.06012	2.5
105.07011	95.3
107.08572	62.3
109.06515	6.3
109.10130	31.7
111.08073	18.7
113.09612	6.1
115.05373	2.5
117.07017	20.0
119.08553	68.8
121.06490	4.7
121.10126	48.4
122.27872	2.1
123.08034	4.5
123.11696	14.6
125.09595	5.0
127.07526	69.2
128.06207	7.7
129.07001	23.4
129.09082	26.8
129.52419	2.1
130.07756	3.5
131.08537	61.2
132.09328	4.4
133.06451	2.6
133.10104	67.2
135.08018	3.5
135.11670	30.5
137.09618	4.0
137.13263	4.8
141.06981	2.8
142.07753	13.2
143.08539	47.3
143.09666	2.8
144.09332	3.2
145.10092	81.2
147.08078	8.1
147.11656	53.4
147.12775	3.8
149.05992	2.4
149.09634	8.0
149.13231	24.9
151.11169	4.6
155.08524	12.5
156.09331	7.1
157.10100	64.7
158.10852	2.7
159.08034	4.6
159.11662	77.7
160.12114	2.3
161.09618	9.1
161.13220	45.1
163.11131	10.4
163.14787	18.7
165.06882	2.3
165.12816	3.2
167.08475	3.2
169.10139	14.6
170.10844	4.1
171.11632	42.1
173.09654	7.4
173.13232	43.4
175.11189	7.0
175.14795	23.1
177.09000	2.6
177.12700	6.3
177.16354	7.8
179.14296	3.2
181.10080	3.2
183.11664	16.5
185.09642	4.3
185.13219	44.1
186.13875	2.8
187.11197	5.8
187.14790	52.9
189.12680	6.3
189.16335	15.8
191.10651	2.9
191.14316	7.9
193.12245	3.1
195.11708	4.2
197.13257	13.4
199.11140	3.7
199.14783	36.3
201.12758	6.4
201.16331	17.1
203.10660	4.4
203.14238	14.2
203.17924	7.4
205.12233	5.0
205.15862	11.8
209.13249	6.9
209.15199	3.4
211.14763	8.0
213.12756	5.4
213.16364	8.4
215.14340	7.3
215.17912	3.1
217.12256	7.6
217.15840	14.7
219.13750	7.0
219.17365	4.0
221.13266	2.6
221.15378	2.4
223.14880	3.5
223.16885	9.6
225.16350	7.8
227.14218	4.3
227.17924	2.6
229.12187	2.6
229.15924	3.4
229.19508	3.0
231.13838	13.8
231.17438	4.6
233.15300	14.1
235.16866	5.4
239.17940	4.5
241.19536	2.9
245.15419	15.0
247.16917	5.7
249.14790	3.1
249.18492	5.5
253.19376	5.6
256.83746	2.2
263.16299	3.7
279.20963	3.1
281.22461	3.2
299.20135	3.7
327.23282	4.0
339.26584	2.6
339.43430	2.6
347.27255	4.0
355.26492	2.9
363.26712	5.5
365.28244	3.9
373.28665	6.4
381.27859	5.0
391.29901	30.4
393.27786	5.6
401.28412	5.0
409.30954	100.0
411.28116	4.5
411.32852	6.4
419.29239	32.1
427.32013	53.5
437.30408	92.3
455.31442	80.7
473.32547	32.2
550.37402	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	550.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05029	1.1
57.03431	0.5
58.06572	1.6
59.07375	0.8
60.04517	0.7
60.08158	15.4
66.63035	0.3
67.05496	1.8
69.03439	0.3
69.07053	0.8
70.77801	0.7
71.07364	5.3
79.05495	2.0
81.03411	0.6
81.07038	2.2
83.04977	0.5
86.09695	46.4
91.05482	2.1
93.07041	1.2
95.04965	0.7
95.08598	1.7
97.06516	1.7
98.98448	2.6
104.10732	99.8
105.07025	1.2
107.04945	0.5
107.08575	1.1
109.06485	0.3
109.10151	0.7
117.06996	0.5
119.08568	1.2
121.10133	0.5
123.04436	1.3
124.99989	22.9
126.05477	0.5
131.08546	0.7
133.10120	0.9
135.04434	0.4
138.05481	1.1
143.08603	0.6
145.10107	1.0
147.04399	0.7
147.11668	0.7
153.16063	0.3
157.10223	0.3
159.11630	0.5
161.05936	0.7
161.13306	0.4
163.01598	0.5
163.03876	0.9
171.11583	0.7
181.02573	0.3
184.07321	100.0
185.07729	0.3
191.03377	6.3
200.45950	0.3
209.92586	0.3
219.10124	4.4
243.06595	0.7
258.10999	1.1
285.07419	1.3
298.27249	0.7
343.08249	0.3
348.13153	0.3
421.12592	0.8
434.22836	1.4
439.13757	1.6
446.22906	1.7
464.24063	13.0
498.29440	0.9
514.29138	1.5
516.23694	0.5
516.30811	9.0
532.30359	3.0
550.31122	1.3
551.27649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	1.8
53.03935	3.7
55.01868	9.8
55.05500	9.3
56.16252	1.6
57.03433	17.1
57.07077	7.8
59.04994	3.1
60.08159	2.6
61.02924	10.1
61.36130	1.7
65.03915	2.1
67.05496	29.7
69.03421	32.6
69.07054	15.2
71.01324	4.0
71.04976	3.7
71.14494	3.0
73.02911	37.5
79.05482	16.0
81.03414	12.0
81.07047	51.0
83.04963	3.7
83.08601	6.5
85.02895	68.4
85.06540	3.9
86.09687	2.2
87.04450	4.8
91.03941	2.8
91.05464	22.7
93.07030	35.9
95.04945	6.3
95.08592	64.7
97.02880	43.9
97.06500	6.4
97.10168	3.9
99.04451	4.1
103.03928	2.9
105.07014	63.9
107.04928	2.4
107.08580	65.7
108.08073	4.6
109.02860	9.5
109.06480	4.3
109.10144	66.0
109.10899	3.4
111.08053	3.5
114.84310	1.8
115.03911	21.4
117.07031	2.5
119.04941	3.5
119.07784	3.0
119.08570	49.3
121.02859	13.8
121.06470	5.1
121.10114	23.4
123.04419	5.6
123.08008	3.7
123.11703	14.2
127.03907	23.7
127.11175	10.0
129.06952	2.1
130.07637	1.5
131.04892	3.4
131.08566	9.2
133.04955	21.0
133.06468	3.0
133.10115	34.6
135.04364	1.9
135.08037	3.9
135.11684	16.0
136.07562	5.5
137.09612	4.7
139.03873	5.6
143.08524	2.0
145.04933	24.2
145.10094	8.7
147.04396	14.8
147.11662	49.8
149.09619	3.0
149.13252	6.5
151.03952	2.2
151.07498	2.7
151.11172	3.3
152.07034	2.5
153.12820	1.7
157.10170	3.7
159.08095	2.0
159.11710	4.6
161.09660	2.3
161.13216	18.8
163.03885	3.6
163.06009	11.1
163.11159	2.4
163.14828	11.5
165.05486	4.1
165.09077	2.0
167.07014	5.8
171.11763	2.2
172.12390	1.9
173.13222	15.7
175.14760	11.5
177.05476	5.4
177.16261	2.3
179.10680	1.9
181.55177	1.6
184.07362	8.0
185.13266	1.9
187.14783	3.1
189.12749	2.6
189.16360	4.3
191.14262	17.9
201.16298	3.3
203.17929	100.0
207.13783	1.9
209.15289	10.3
213.16283	1.7
215.14307	1.7
215.18002	3.3
219.13687	2.9
221.18944	14.0
223.06015	2.4
226.18756	2.4
227.09036	2.3
241.07040	3.5
268.16998	4.9
271.15399	2.1
289.16370	5.3
289.21750	1.9
295.10226	3.6
297.12335	2.0
299.20047	2.7
317.20972	5.3
335.22147	9.9
339.13171	3.4
353.23309	3.9
370.15121	1.7
371.20303	3.4
490.19452	6.0
518.19232	11.3
550.21667	23.1
551.21490	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	550.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.2
55.05486	0.6
56.05017	0.4
57.03420	0.3
58.06608	0.4
59.07373	0.3
60.08151	6.6
67.05476	0.7
69.03410	0.7
69.07040	0.7
69.96710	0.3
69.97105	0.9
70.06557	0.2
71.04964	0.2
71.07359	2.6
73.02869	0.2
73.03258	0.2
77.68679	0.2
79.05054	0.2
79.05466	0.8
81.03410	0.5
81.07036	2.1
83.08600	0.3
85.02891	0.8
85.06501	0.3
85.65437	0.2
86.09686	28.7
91.05437	0.8
93.07018	1.1
95.04954	0.3
95.08578	1.1
97.02850	0.4
97.06490	0.3
98.98444	2.9
99.08065	0.2
104.10719	8.4
105.07011	1.3
107.08571	0.9
107.09219	0.2
109.06461	0.2
109.10144	1.0
115.03910	0.2
119.04884	0.2
119.08577	0.9
121.02833	0.7
121.10116	0.6
123.04379	0.4
123.08026	0.3
123.11656	0.4
124.99978	19.7
127.03950	0.2
127.11157	0.2
131.08533	0.2
133.10054	0.9
135.11655	0.7
137.09628	0.2
139.03856	0.4
141.37784	0.1
143.01021	0.4
143.08514	0.2
145.10110	0.3
147.04382	1.5
147.11652	0.7
149.13129	0.2
151.11139	0.4
157.10066	0.2
159.11665	0.3
161.09567	0.2
161.13228	0.6
163.10965	0.2
165.12727	0.3
167.42905	0.2
171.11641	0.2
173.09540	0.2
177.05408	0.2
179.10651	0.4
179.14316	0.2
184.07301	100.0
185.07576	0.2
191.03323	0.5
203.17918	0.7
207.13727	0.3
221.18941	1.1
239.20042	0.3
243.15875	0.3
258.10977	0.3
283.08231	0.3
317.24509	0.2
329.53082	0.2
335.25656	1.5
353.26883	1.6
371.27911	0.4
452.23688	0.9
461.28030	0.2
492.26971	0.4
514.28870	0.3
527.90637	0.2
532.30316	2.2
550.22693	0.4
550.31256	5.5
551.31659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05026	0.5
57.03416	0.3
57.07057	0.4
57.47673	0.2
58.06589	0.5
59.04993	0.2
59.07376	0.3
60.08155	9.5
61.02881	0.3
67.05494	1.7
69.03418	0.5
69.07058	2.0
71.07369	3.3
73.02910	0.4
79.05473	1.1
81.03395	0.9
81.07046	3.3
83.04961	0.5
83.08593	0.5
85.02890	1.0
85.06525	0.7
86.09692	35.6
89.03904	0.4
91.05460	1.2
93.07037	1.9
95.04947	0.4
95.08586	1.7
97.02879	0.6
97.06519	0.7
97.10126	0.3
98.21532	0.3
98.98458	2.5
99.04418	0.4
99.08069	0.6
104.10728	28.3
105.07011	2.2
107.08580	2.2
109.06494	0.9
109.10133	2.2
111.08131	0.3
111.11698	0.3
117.03374	1.4
117.07017	0.2
118.79943	0.2
119.08563	1.5
121.02853	1.0
121.06466	0.4
121.10135	1.7
123.04395	0.6
123.08109	0.3
123.11688	1.2
124.99987	21.7
125.09648	0.4
127.03917	0.4
127.11174	0.9
131.08540	0.4
133.10118	1.1
135.11638	0.8
137.09552	0.4
137.13162	0.3
139.03932	0.4
143.01071	0.3
145.02831	3.9
145.04955	0.3
145.10062	0.4
147.04393	0.9
147.11693	2.0
149.05945	0.5
149.13246	0.4
151.11212	0.5
159.11624	0.4
161.09656	0.7
161.13235	0.9
163.03850	0.2
163.11180	0.6
165.12718	1.2
175.11136	0.3
175.14728	0.2
177.05446	9.2
179.10622	0.3
184.07310	100.0
185.07643	0.3
191.03419	0.5
193.12222	0.8
203.17894	0.3
207.13791	0.6
211.13255	0.4
213.18413	0.3
219.10112	0.3
221.18968	0.9
229.14406	0.4
237.18474	0.4
243.15886	0.7
255.19543	0.5
258.10995	0.6
267.08932	0.5
283.08148	0.3
285.10233	0.6
317.24777	0.7
335.25723	2.2
339.10718	0.7
353.22620	0.2
353.26776	4.6
371.27927	1.3
395.76312	0.3
420.55954	0.3
438.22607	0.3
452.23993	2.3
514.28882	1.2
532.30176	4.6
550.22974	0.4
550.31342	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	549.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01858	3.7
55.05255	2.2
55.05501	27.2
57.03418	6.7
57.07062	6.4
65.03920	2.5
67.05493	45.0
69.03415	2.9
69.07056	29.6
71.04983	4.6
71.08617	2.2
71.62539	2.3
79.05473	23.9
81.03402	28.7
81.07040	51.5
83.04969	6.2
83.08610	24.7
85.02889	17.2
85.06532	3.9
85.10181	2.0
91.05466	27.9
93.07024	26.8
95.04945	14.0
95.08591	35.4
97.06510	3.0
97.10161	11.3
99.04467	1.1
99.08089	1.3
105.07009	21.5
107.04939	3.5
107.08572	17.7
109.06522	4.5
109.10136	27.3
111.04444	1.0
111.08066	8.4
111.11715	2.7
117.07020	1.9
119.08553	11.2
121.10114	12.7
123.08018	2.5
123.11694	10.0
125.09599	1.4
129.06976	6.1
129.61346	1.1
131.08565	7.8
133.10106	24.9
135.11696	6.9
137.09612	2.5
137.13237	2.8
140.22307	1.3
145.10141	4.0
147.08026	1.8
147.11632	8.7
149.09615	4.0
149.13246	3.6
151.11154	8.8
157.10121	5.8
159.11661	1.5
163.14838	1.9
165.12775	2.5
169.12230	2.9
173.13216	1.7
175.11131	6.4
185.02367	1.4
193.12222	24.5
211.13260	30.3
230.39589	1.3
253.14297	26.4
261.21979	6.8
265.25314	4.6
267.15912	6.0
271.15384	7.9
303.92496	1.3
317.24628	1.6
335.25717	9.3
339.28989	4.5
513.35944	2.2
531.37482	7.0
549.23889	6.6
549.41455	100.0
550.41846	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	550.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.05505	1.1
57.03422	1.4
57.07065	1.3
61.02911	1.9
67.05495	2.0
69.03417	25.1
69.07054	1.5
71.04983	0.7
71.62605	0.8
73.02915	0.9
79.05482	2.0
79.57458	0.4
81.03400	2.3
81.07040	3.2
82.95778	0.4
83.04971	2.6
84.08188	0.4
84.99876	0.4
85.02888	17.8
85.06542	1.4
87.04412	0.7
91.03950	0.9
91.05466	1.9
93.07014	2.2
95.04953	1.2
95.08598	5.2
97.02876	4.9
97.06506	1.5
99.04440	1.3
105.03374	0.5
105.07005	3.1
107.08578	6.6
109.02881	1.9
109.06489	2.5
109.10131	3.0
111.08060	1.4
115.03932	0.5
117.07012	0.5
117.61712	0.5
119.08553	2.7
121.02865	0.5
121.06484	1.5
121.10117	5.1
123.08052	2.1
123.11666	3.2
125.09605	11.7
127.03888	5.1
131.08531	3.5
133.06467	0.6
133.10095	4.1
135.08038	6.1
135.11656	2.5
137.05975	1.0
137.09612	2.2
143.08542	0.6
145.04927	5.2
145.10095	1.8
147.11649	2.1
149.09605	2.3
149.13242	1.8
151.07500	1.1
151.11189	0.6
153.09100	3.9
158.10886	1.4
161.09573	1.4
163.06015	2.4
163.11137	2.0
163.14813	3.0
165.09090	2.1
165.12727	1.6
167.07045	1.3
173.13219	11.6
176.11986	0.7
177.05475	0.7
178.04961	71.5
179.05307	1.8
179.10655	0.6
180.05391	0.5
188.09219	0.5
190.13234	0.5
191.12413	0.6
191.14270	40.7
206.04446	100.0
207.04817	3.2
207.13675	0.9
208.14088	0.9
209.15321	76.8
210.15666	0.9
287.05347	1.6
303.04837	3.5
351.14288	0.8
368.09641	7.4
388.20407	1.4
532.18091	5.0
550.19055	14.9
551.19110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06916	0.3
51.02385	0.3
53.03935	0.7
55.01874	0.4
55.05494	0.9
57.03421	0.4
57.18200	0.3
57.80232	0.3
59.04993	0.5
59.81153	0.3
61.02929	0.3
64.59352	0.3
65.03928	0.9
67.05480	1.0
69.03414	1.0
69.07060	0.7
69.41212	2.0
69.41624	0.7
71.04991	0.4
73.75024	0.3
79.05484	0.9
81.03409	2.3
81.07052	1.6
83.04987	0.7
85.02882	1.8
85.06547	0.5
91.05470	8.9
93.07047	4.2
95.04953	1.5
95.08599	1.2
97.02865	0.7
97.06534	0.4
97.10136	0.6
98.20724	0.6
99.04467	0.3
103.05469	0.5
105.07024	1.7
107.04945	0.5
107.08581	1.0
109.02892	1.5
109.06477	0.8
109.10151	1.0
111.04416	0.5
111.08058	0.6
119.04934	21.6
119.08580	0.9
121.02822	0.5
121.06503	4.1
121.10124	1.0
123.04388	0.6
123.08049	0.6
127.03912	1.1
127.07551	0.3
130.95129	0.3
131.04898	0.4
131.08554	0.4
133.10098	0.9
135.04417	0.6
135.11708	0.6
137.05969	2.0
137.09610	1.3
139.03899	2.3
142.07813	0.3
143.08513	0.4
145.02838	0.4
145.04921	0.4
145.10080	1.0
147.04396	100.0
147.11655	0.7
148.04713	1.2
149.05957	0.7
149.09627	1.9
151.03862	0.8
151.11186	0.5
153.01840	0.5
157.10162	0.5
159.08047	0.4
159.11659	1.3
161.06020	0.4
161.09578	0.5
161.13252	0.7
161.19254	0.3
163.03891	2.6
163.07486	0.4
163.11154	0.6
165.05457	3.8
165.09076	0.4
167.07092	1.5
167.10637	0.5
173.13194	0.3
175.07451	0.3
175.11159	1.0
177.05518	0.9
177.12703	0.4
181.04892	0.8
187.11176	0.5
189.09067	0.3
189.12773	0.6
193.12274	0.4
201.09148	0.4
205.08685	0.4
205.12207	2.8
207.13805	0.4
217.08649	0.4
219.10211	0.5
223.13271	4.0
271.06116	0.9
291.08527	2.5
303.04916	0.8
309.09671	3.4
351.12338	0.5
457.29556	0.4
485.29691	0.5
503.30591	0.4
549.23163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01856	0.6
55.05503	1.2
57.03423	0.4
61.02908	0.5
65.03923	0.9
67.05488	1.2
68.99763	0.4
69.03419	2.8
69.07047	1.1
70.06582	0.4
71.04984	0.8
71.63045	0.5
79.05472	1.5
81.03413	2.3
81.07037	2.4
83.04971	1.4
83.08637	0.5
85.02889	2.0
85.06526	0.7
86.09674	0.6
91.05472	9.2
92.56587	0.4
93.07040	4.6
95.04954	1.4
95.08582	1.4
97.02862	1.0
97.06514	1.5
97.10172	0.7
99.04449	0.5
99.08031	0.4
103.05416	0.6
105.07024	2.7
107.04954	0.9
107.08569	1.9
109.02891	2.1
109.06514	1.2
109.10137	1.4
111.04440	0.4
111.08070	0.9
115.05418	0.5
117.07050	0.6
119.04935	22.0
119.08564	1.7
120.05216	0.4
120.08139	0.5
121.06490	5.2
121.10109	1.7
123.04407	1.1
123.08096	0.8
123.11719	0.9
125.05952	0.4
125.09616	0.6
127.03902	1.3
127.07539	0.8
131.04921	0.7
131.08522	0.7
133.06360	0.5
133.10118	1.1
135.04419	0.8
135.08037	1.0
135.11659	0.9
137.05927	2.2
137.09560	1.9
139.03893	4.0
145.02873	0.6
145.06415	0.6
145.10115	0.8
147.04391	100.0
147.11659	1.0
148.04735	0.9
149.05974	0.8
149.09564	1.9
151.03935	0.9
151.11163	0.6
153.01790	0.8
157.10150	0.9
159.08070	0.7
159.11678	1.3
161.05956	0.9
161.09558	0.7
163.03879	3.5
163.11076	0.9
165.05466	3.6
165.09067	1.0
167.07028	1.9
173.13242	0.6
175.11256	0.7
177.05487	1.2
177.09064	0.5
177.12717	0.7
181.04980	1.0
187.07487	0.6
187.11145	0.9
193.12152	0.8
201.09109	0.8
205.04886	0.6
205.12219	3.1
207.13818	0.5
219.10114	1.3
219.17413	0.4
223.13254	5.1
237.18457	0.5
255.10530	0.4
267.75107	0.4
271.06027	1.8
273.07819	0.6
291.08585	2.7
303.04953	0.9
309.09628	4.5
339.12366	0.4
355.84079	0.4
549.20520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
55.01858	0.5
57.03409	1.0
59.04982	0.2
65.03914	0.8
67.05487	0.5
69.03414	3.1
69.07023	0.2
69.68845	1.3
71.04980	0.5
73.02882	0.5
79.05454	0.7
81.03401	1.2
81.07015	0.8
85.02888	5.7
85.06564	0.2
87.04465	0.5
91.05466	1.2
93.03369	0.2
93.06999	0.7
94.04173	1.9
95.04974	0.6
96.89034	0.2
97.02879	2.1
97.06516	0.6
99.04432	0.8
101.02362	0.2
105.07008	1.4
107.04906	0.6
107.08562	0.6
109.02866	0.5
109.06484	0.7
109.10136	0.4
110.03660	0.4
111.04419	0.4
115.05439	1.4
117.07005	1.5
119.04889	0.3
119.08556	0.7
121.02807	0.3
121.06499	0.3
121.10143	0.4
122.03628	5.9
123.04412	0.7
123.08031	1.0
125.05960	0.7
127.03911	1.2
131.08551	0.6
133.06494	0.4
133.10086	1.1
136.59750	0.3
137.05952	100.0
138.06325	0.5
142.02631	0.4
143.04898	3.6
145.04962	0.7
145.06442	1.8
145.10078	0.5
147.04398	2.5
147.11716	0.3
148.04741	1.0
149.09595	0.5
151.03889	2.1
151.07588	0.6
151.11192	0.4
155.05896	0.5
156.09267	0.2
160.05240	0.3
161.09587	0.7
161.13237	0.4
163.11163	1.0
167.05602	0.5
167.07010	9.5
167.08401	0.5
171.04518	0.3
171.06549	0.8
171.11597	0.4
172.55049	0.2
173.05960	4.0
175.07532	1.0
177.05423	0.3
181.04926	15.2
189.05338	0.3
189.12769	0.6
191.14272	0.5
203.07062	1.0
205.08556	2.5
207.13768	5.3
213.10252	0.3
221.08073	0.4
225.10150	0.6
225.14923	1.2
226.11015	0.3
227.08194	0.4
230.29805	0.2
233.08110	1.0
235.09579	2.9
241.09711	0.4
253.09705	0.3
255.11218	0.3
257.12762	0.7
267.11292	0.3
268.12054	0.3
295.10928	0.3
296.11441	0.4
297.11996	0.3
313.11783	1.6
314.12659	1.1
325.10886	0.2
341.11081	0.3
342.12091	1.0
357.13269	11.5
357.81876	0.3
367.34998	0.3
369.09869	0.3
387.14407	6.5
417.11838	0.5
443.13553	0.2
489.14932	1.4
517.14587	1.8
519.18573	0.7
549.19550	51.5
550.19763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.05496	21.5
57.03430	2.0
57.07055	9.3
65.03921	2.5
67.05167	2.2
67.05490	29.9
69.07053	51.4
69.44625	8.9
69.45051	6.1
71.08604	4.6
79.05473	17.1
81.06573	3.4
81.07038	62.4
83.08598	17.9
91.05456	18.4
93.06467	2.7
93.07019	42.9
95.04932	3.6
95.08584	79.6
95.31023	1.8
97.10147	10.8
98.20728	2.6
99.04459	2.1
105.07003	40.6
107.08572	48.5
109.06494	2.2
109.10135	71.2
111.11677	7.3
117.06973	7.6
119.06017	1.9
119.08565	31.9
121.06496	2.2
121.10117	35.2
123.11675	28.6
125.13219	2.5
127.33496	1.6
128.06180	3.3
129.07001	10.4
131.08519	22.2
133.10103	27.3
135.11653	26.7
137.13211	17.7
141.06963	3.8
142.07718	10.2
143.08536	22.2
145.10083	26.0
147.07985	2.5
147.11647	23.8
149.05931	3.1
149.09579	4.2
149.13223	40.3
151.14761	4.0
155.08501	28.2
156.09290	6.0
157.10083	41.2
159.11656	21.3
161.09576	4.1
161.13220	16.3
163.11127	5.1
163.14819	9.0
165.16333	2.0
167.08470	1.9
169.10074	21.8
170.10838	2.6
171.08072	1.9
171.11656	19.7
173.09584	5.5
173.13242	13.9
175.11166	5.9
175.14787	11.6
177.08983	2.4
177.12627	2.2
177.16383	8.2
181.10022	4.3
183.11633	13.5
185.13211	17.5
187.11118	4.0
187.14748	5.5
189.09074	1.7
189.16365	8.0
191.10617	2.6
191.17906	17.7
193.12167	1.9
195.10065	1.8
195.11617	8.5
197.13199	11.8
199.11220	1.9
199.14767	11.3
201.09015	7.3
201.12640	6.4
201.16322	5.7
203.10583	3.9
203.14374	4.0
203.17862	11.4
205.12199	4.7
205.19476	14.1
207.09990	2.3
207.20953	2.3
209.13229	6.8
211.14777	5.2
213.09132	2.3
213.16324	3.2
215.10637	8.7
215.14183	2.1
217.12164	5.9
217.15730	3.5
217.19482	13.7
219.21019	4.7
223.14758	5.1
225.16275	6.0
229.12189	7.8
231.13766	8.9
231.21014	3.3
233.11617	3.0
233.15262	2.1
237.16408	3.4
241.12177	3.7
241.15953	2.5
243.13731	7.2
245.15285	4.2
245.22556	11.6
247.13199	4.0
249.14798	4.2
251.17955	3.2
253.12189	1.9
253.19383	3.9
255.13719	4.0
255.17395	2.1
259.24094	6.9
261.14774	5.5
265.19366	3.5
269.22528	2.0
277.19568	2.2
279.20917	4.1
283.16898	2.0
297.18402	7.0
297.21768	2.1
311.20013	2.0
312.67767	1.6
315.19522	2.2
323.19962	2.7
325.21469	4.1
341.21170	1.8
343.22964	2.2
351.30219	2.0
353.24677	2.8
389.31845	7.3
391.33533	2.1
407.33023	10.6
409.34470	3.5
417.31268	2.7
435.32498	47.5
453.33548	100.0
454.33795	2.1
471.34845	9.0
530.39215	3.9
548.39722	16.2
549.24933	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	548.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	20.9
57.07050	12.0
63.91845	2.9
65.03919	4.1
67.05496	30.8
68.78452	3.2
69.07058	37.0
69.51621	29.2
71.04971	12.4
79.05479	26.2
81.06577	5.1
81.07042	83.3
82.41814	2.6
82.74881	3.1
83.08604	19.7
91.05464	36.4
93.07022	45.3
95.04930	3.4
95.08592	100.0
97.06486	6.4
97.10136	9.6
97.55656	3.1
98.20737	6.5
99.08063	12.7
105.06291	4.3
105.07008	88.4
107.08576	72.1
107.80743	3.4
109.10148	84.9
111.11702	4.7
113.09604	4.5
115.05389	4.7
117.06996	20.9
119.07777	5.5
119.08560	69.7
121.06461	4.9
121.10124	55.1
123.11686	32.3
125.09576	4.9
127.11172	42.2
128.06242	6.2
129.06955	19.9
131.08539	52.8
132.09322	5.5
133.10104	69.7
135.07974	4.3
135.11670	52.8
137.09486	3.7
137.13277	16.0
142.07739	13.7
143.08542	41.6
144.09317	8.5
145.10091	80.0
147.08093	4.6
147.11667	60.4
149.09587	5.5
149.13251	26.7
153.12715	3.2
155.08493	14.6
157.10095	66.2
158.10844	5.1
159.11667	77.9
161.09663	4.9
161.13220	49.8
163.11215	5.2
163.14790	13.8
165.27388	3.5
169.10065	19.4
171.11650	35.2
173.09650	3.7
173.13219	34.2
175.11263	8.2
175.14798	13.1
177.12534	4.2
177.16347	10.0
183.11655	16.3
184.07327	3.7
185.09526	4.8
185.13216	38.1
186.63669	3.7
187.11113	5.5
187.14796	36.3
189.12764	4.7
189.16412	21.9
191.10654	5.1
191.17924	9.8
193.12134	5.5
193.19473	4.2
195.11653	5.1
197.13249	8.9
199.14801	22.3
201.12770	4.9
201.16328	36.3
203.10594	4.4
203.14252	7.5
203.17923	35.7
205.12206	4.5
205.19423	5.7
207.13826	4.2
209.13353	5.3
211.14754	8.5
213.12700	6.3
213.16418	8.9
215.14384	4.8
215.17937	9.0
217.12189	9.8
217.15823	7.9
219.13757	6.5
219.17409	7.3
219.21004	4.9
221.18941	7.5
225.16341	4.3
227.17810	5.1
229.19487	4.5
231.13765	23.1
231.21089	5.4
233.15355	13.8
233.18959	7.8
245.15323	9.7
247.20575	4.2
254.53371	3.6
255.21240	3.6
265.19534	5.4
281.22559	4.8
305.22458	4.0
321.25583	3.7
325.21765	5.3
327.26770	4.6
355.26151	4.0
379.29666	3.8
389.31900	10.8
407.33029	54.0
417.31555	7.1
425.33987	37.0
435.26590	5.3
435.32510	75.7
453.33521	73.0
471.34418	8.6
480.29611	3.5
548.39502	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84322	2.2
52.19474	1.9
53.03934	2.0
55.05499	19.5
57.07060	12.6
60.04503	1.9
63.42994	1.9
66.17148	1.8
67.05491	34.1
69.07059	71.2
71.08620	4.9
78.96636	1.9
79.05492	16.2
81.03368	2.1
81.07043	58.6
82.88917	1.9
83.08598	26.8
85.06527	2.6
91.05471	15.6
93.07034	28.5
95.04953	5.0
95.08590	60.7
97.10146	8.6
98.20692	4.1
105.07010	35.6
105.64745	2.2
107.08575	39.6
109.10139	93.3
111.11686	7.8
117.06971	10.1
119.08545	22.4
121.10120	28.0
121.69138	2.1
123.11696	29.5
128.06183	3.3
129.07005	10.1
131.08543	32.9
133.10107	29.5
135.11681	18.3
137.13257	15.2
141.06952	8.6
142.07758	8.2
143.08534	38.7
144.09322	3.4
145.10086	25.2
147.11674	17.0
149.05972	2.4
149.09567	3.8
149.13248	15.7
151.11217	3.5
151.14734	3.7
155.08539	28.5
156.09274	6.0
157.10103	33.8
159.11662	26.0
161.09592	2.5
161.13239	14.8
163.14796	25.3
165.16405	4.3
167.08563	5.9
168.09335	3.3
169.10118	23.6
171.11665	23.5
172.33533	1.9
173.13292	13.1
175.11186	3.4
175.14761	7.0
177.16347	4.9
179.08521	4.2
181.10141	12.1
182.10925	3.2
183.11646	22.9
184.12483	4.7
185.13213	14.8
187.11157	2.3
187.14790	6.7
189.12480	2.3
191.17780	2.8
193.10162	3.4
195.11626	12.9
197.09508	2.1
197.13255	20.3
198.14014	3.9
199.14806	7.2
201.09076	4.8
201.12711	3.2
201.16335	5.6
203.10649	3.7
203.17908	4.0
205.19478	6.7
209.13243	14.2
211.14827	11.7
212.15620	2.7
213.12810	2.8
213.16374	6.2
215.10612	5.4
215.17943	3.8
217.12289	9.5
217.19476	3.4
219.21033	11.6
221.13333	4.4
223.14807	11.7
225.16354	8.8
227.17778	3.0
229.12184	8.3
229.15924	5.8
229.19519	2.7
231.20969	4.2
233.11610	3.5
235.14717	2.7
237.16324	9.0
239.17886	4.1
241.12132	2.9
242.19725	2.1
243.13724	6.6
243.20924	2.5
245.22690	2.8
251.17935	9.0
253.14244	3.7
253.19498	4.2
254.14658	2.4
255.13708	3.8
257.15387	18.6
263.18048	2.5
265.19476	5.1
269.15524	4.6
269.18924	8.0
273.14807	2.8
275.16394	10.9
279.21051	6.5
281.15353	2.1
283.16965	11.9
283.19714	2.5
283.24060	2.7
287.16248	5.4
289.17801	3.0
297.18454	45.5
297.21689	2.7
301.18033	6.5
311.20029	10.4
313.17920	2.6
315.19510	41.6
323.19925	3.9
325.21683	11.3
327.19351	2.2
329.21033	4.0
343.22464	12.0
351.23032	2.5
353.24677	8.7
357.38913	2.1
365.24930	2.8
369.24277	2.5
371.25610	4.8
383.25800	3.2
389.32007	5.6
391.33295	4.3
407.33026	8.3
420.62344	2.4
435.32544	68.2
453.33588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01850	3.4
55.05503	21.4
57.03438	2.2
57.07071	14.8
65.03925	2.5
67.05495	42.6
69.07059	86.5
70.22035	4.8
70.22446	6.9
70.67929	2.1
71.04966	2.0
71.08633	2.8
79.05488	19.9
81.07046	63.5
83.04958	2.6
83.08612	27.8
85.11230	2.2
86.69659	1.9
91.05479	14.7
93.07024	36.1
95.04938	4.7
95.08595	73.3
96.08974	2.0
97.06530	4.9
97.10165	11.0
104.96270	2.1
105.07012	42.0
107.08585	49.2
109.10143	91.1
111.08070	2.6
111.11679	11.6
115.05441	2.8
117.06998	12.8
119.08567	28.7
121.10121	39.9
123.11692	34.9
125.13233	4.2
128.06206	6.3
129.06969	17.1
131.08563	33.4
133.10120	30.9
135.11676	26.3
137.13239	18.0
137.53880	1.8
141.06952	10.0
142.07721	10.3
143.08548	40.1
145.10094	30.2
147.11676	23.5
148.57010	2.2
149.05890	4.0
149.09616	5.6
149.13246	14.8
151.14807	3.6
154.07755	4.7
155.08531	33.1
156.09285	7.0
157.10114	38.3
158.10890	4.6
159.11662	24.9
161.09624	3.7
161.13243	16.6
163.11195	3.3
163.14786	22.8
165.16411	4.1
166.07779	2.5
167.08571	6.4
169.10089	31.4
170.10851	5.7
171.11688	28.5
173.09651	5.0
173.13255	13.1
175.11259	3.3
175.14853	4.3
177.09134	2.6
177.16325	7.7
179.08485	4.6
180.09288	3.1
181.10077	12.7
182.10828	3.4
183.11674	29.3
184.12509	4.8
185.13240	17.4
187.11205	4.4
187.14902	9.9
189.09023	2.4
189.16389	4.4
195.11656	16.6
197.09567	3.4
197.13232	29.1
198.14005	8.0
199.11191	2.5
199.14810	9.8
201.09035	3.8
201.16426	5.6
203.10637	3.7
203.17931	5.8
205.19455	7.3
207.11720	4.4
208.12531	2.0
209.13281	16.0
211.11189	2.9
211.14824	17.4
213.12852	3.0
213.16357	5.7
215.10698	8.4
215.17912	2.9
217.12320	3.1
217.19563	3.8
219.21028	11.8
221.13303	3.0
223.14766	15.0
225.16292	13.8
227.17856	2.4
229.12123	4.6
229.15877	9.1
229.19453	4.2
231.13756	6.7
231.21095	4.3
233.11708	2.4
237.16368	10.6
239.14200	3.0
239.17908	3.4
241.12196	4.5
243.13770	8.5
245.15344	3.4
245.22542	4.0
247.13181	4.0
249.16483	3.1
251.17775	12.5
253.19426	4.6
255.13802	6.9
257.15323	23.7
261.14774	2.6
265.19489	3.8
267.13724	2.3
269.15323	11.2
269.18893	7.9
271.16788	5.6
273.15018	2.4
275.16324	14.4
277.19540	2.4
279.17834	3.9
279.21066	8.5
281.15253	2.6
281.22546	2.3
283.16846	16.6
283.20270	4.5
285.18524	4.1
287.16330	5.9
297.18469	56.8
297.21939	2.8
301.17972	7.8
303.19620	3.8
307.20715	3.1
307.24057	6.2
309.18420	5.7
311.19958	9.8
315.19504	46.0
319.23975	2.6
325.21674	17.0
325.25073	3.6
327.19250	3.1
329.21097	6.4
340.58929	2.1
341.20828	3.0
343.22598	15.9
348.04187	2.0
353.24756	10.2
365.24677	3.5
369.24127	3.5
371.25790	6.2
389.31946	3.9
407.33054	7.7
417.31613	4.9
435.32571	71.7
453.33609	100.0
548.37708	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	548.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.3
55.05500	18.4
57.07055	8.4
64.04112	1.9
67.05493	33.5
68.05824	2.0
69.03414	2.9
69.06718	2.7
69.07058	33.3
69.63273	15.5
71.04993	11.7
71.08596	1.9
79.05480	20.8
81.07043	73.0
83.08604	14.3
85.06512	3.5
86.09682	3.6
91.05470	28.0
93.07034	50.1
95.04950	4.8
95.08596	100.0
96.08937	3.9
97.06499	4.7
97.10130	8.7
99.08092	11.4
104.10711	6.4
105.07021	78.6
106.07340	3.3
107.08582	66.1
108.08867	2.6
109.06474	2.3
109.10140	79.5
110.10492	2.7
111.11687	3.9
113.09649	3.1
115.05462	2.8
117.06994	18.7
119.08565	64.2
121.06453	3.7
121.10128	52.6
123.08042	4.5
123.11687	39.0
124.99976	1.9
125.09618	5.8
127.11168	41.4
128.06241	4.2
129.06978	15.8
130.07834	2.7
131.08549	52.9
132.09245	2.6
133.09111	3.5
133.10118	72.1
135.11673	46.9
136.12051	2.5
136.29355	1.7
137.09598	2.9
137.13219	10.9
140.20958	2.0
141.06982	3.0
142.07727	10.8
143.08536	37.3
144.09134	3.5
145.10101	73.7
146.10721	2.8
147.08078	2.7
147.11682	51.6
149.05974	2.2
149.09633	3.7
149.13232	22.9
151.14877	3.0
155.08502	15.1
156.09254	6.2
157.10115	58.5
158.10889	3.4
159.08049	3.6
159.11671	75.5
160.12082	2.0
161.09596	6.2
161.13255	42.4
162.13637	2.2
163.11110	6.3
163.14853	11.4
165.12723	3.2
167.08615	2.2
167.14328	2.0
169.10078	17.9
170.10889	3.5
171.11664	34.4
173.09590	5.7
173.13248	34.6
175.11148	6.2
175.14798	15.4
177.12694	3.6
177.16359	6.0
179.14267	2.5
181.10092	2.6
183.11641	12.1
184.07332	7.7
185.09563	2.5
185.13231	32.0
187.11168	7.5
187.14818	35.2
189.12711	9.0
189.16377	22.7
191.10628	4.7
191.14291	3.6
191.17923	12.0
193.12242	4.9
193.19524	2.8
195.11650	4.8
197.13269	12.6
199.14804	27.5
201.12706	3.2
201.16362	39.2
202.16670	3.3
203.10640	4.5
203.14259	6.8
203.17921	29.2
205.12247	4.7
205.15868	3.7
205.19467	4.3
209.11583	3.3
209.13289	5.3
211.14804	8.8
213.12677	6.9
213.16420	5.5
215.14296	8.5
215.17909	8.6
217.12169	11.4
217.15868	8.2
217.19460	7.5
219.13791	5.2
219.17398	4.3
219.20985	3.3
221.18945	5.6
223.14856	2.9
225.16302	6.2
227.14319	3.5
227.17818	2.2
229.19427	4.9
231.13750	18.6
231.21065	3.3
233.15320	11.8
233.18903	4.0
237.16475	3.0
239.17975	2.3
243.13780	4.1
245.15363	12.8
247.16920	2.4
247.20711	3.3
249.14803	3.7
251.17943	3.7
253.19557	2.3
263.16400	5.6
267.20975	3.4
277.19809	2.5
279.20972	3.3
281.22614	2.7
297.21976	3.1
321.25827	2.7
323.23651	2.4
325.21667	4.9
343.22620	3.8
355.26251	3.2
373.27338	4.2
379.29578	3.3
389.32013	14.3
407.32974	57.6
409.34442	5.0
417.31345	10.8
425.28799	3.4
425.34091	45.4
435.32480	84.1
453.33505	75.7
471.34644	13.2
548.39374	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	548.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.2
55.05497	15.8
57.07050	7.5
62.39370	2.3
62.76872	3.1
62.77208	3.3
65.03912	3.2
67.05492	39.4
67.27850	2.3
69.03410	5.3
69.07059	30.8
72.55775	2.3
79.05479	24.5
81.07039	82.5
83.08610	11.6
91.05452	26.9
92.09048	2.5
93.07020	50.4
95.04941	4.5
95.08585	90.3
97.06500	10.1
97.10129	4.7
105.07007	91.3
107.08572	63.6
107.14265	2.7
109.06492	3.8
109.10133	100.0
111.08041	3.5
111.11711	4.8
117.07011	11.9
119.08557	59.6
119.09286	2.4
121.10117	60.6
123.08031	3.5
123.11681	31.3
125.09609	10.2
127.11229	3.6
128.06216	3.1
129.06998	8.0
131.08545	45.0
133.10094	59.2
135.08020	4.4
135.11668	49.1
137.13193	13.2
142.07716	7.5
143.08502	35.5
145.10095	68.5
147.07988	3.5
147.11655	56.9
149.09505	3.1
149.13203	22.7
155.08511	15.8
156.09280	5.0
157.10100	45.9
159.11659	74.3
161.09584	4.8
161.13200	38.0
163.11134	5.4
163.14799	16.5
169.10069	14.9
170.10898	4.0
171.11655	29.2
173.13220	36.8
175.11162	4.2
175.14767	22.7
177.12735	5.2
177.16368	6.4
181.10258	2.8
183.11691	14.6
183.12990	2.8
185.13203	27.9
187.11200	3.7
187.14792	26.3
189.12744	4.9
189.16339	27.9
191.10645	3.8
191.17857	12.5
193.12257	3.8
195.11639	4.4
197.13196	14.5
199.14848	20.1
201.12746	4.5
201.16360	39.1
203.10576	5.0
203.14316	8.5
203.17871	26.4
205.12192	5.5
205.15872	4.2
209.13293	7.2
211.14796	7.5
213.12700	4.1
213.16315	7.1
215.10764	4.0
215.17937	11.8
217.12222	10.9
217.15836	5.0
217.19420	13.4
219.13658	4.7
219.17448	4.5
223.14720	5.8
225.16371	6.1
227.17963	4.4
229.12201	5.9
229.19463	12.8
231.13756	17.1
231.21008	5.8
233.15358	6.4
237.16455	4.0
243.13754	9.9
243.21065	4.7
245.15390	9.0
245.22592	4.6
247.16878	4.4
249.14697	4.2
253.19386	3.8
257.15451	3.7
265.19391	3.6
269.15399	3.4
279.21100	5.0
281.22610	3.9
293.22614	3.5
297.18466	6.0
315.19446	3.3
325.21503	6.2
333.25534	3.2
343.22672	5.9
353.24683	6.4
353.28616	3.5
371.25693	5.7
389.31882	13.9
391.33719	2.7
397.27301	8.6
407.33026	52.0
417.31607	6.4
425.34006	17.5
435.32510	89.6
453.33524	69.0
506.15857	3.6
548.39545	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	548.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	17.0
57.07056	9.7
67.05492	38.6
69.03427	3.1
69.06712	4.5
69.07057	62.2
69.51885	23.3
71.08619	2.8
79.05463	12.6
81.07043	69.8
83.08605	19.4
91.05474	17.5
93.07021	36.1
95.08591	70.6
97.06492	5.0
97.10163	9.8
103.05466	2.9
104.68285	2.6
105.07017	49.8
107.08570	57.9
109.10136	86.5
111.11713	7.7
115.05347	2.8
117.06992	9.9
119.08562	38.3
121.10126	36.7
123.11698	28.0
128.06171	5.1
129.06964	14.4
131.08548	35.7
133.10104	39.1
135.11687	27.9
137.13216	13.1
141.06960	7.1
142.07764	7.1
143.08510	31.9
145.10091	38.7
147.11656	32.7
149.09494	2.9
149.13234	17.8
155.08531	23.5
156.09283	7.8
157.10100	36.7
158.10925	3.0
159.07983	3.5
159.11659	39.8
161.09613	3.4
161.13254	20.2
163.14835	22.6
167.08487	5.3
168.09288	3.0
169.10091	20.6
170.10844	3.7
171.11678	24.9
173.09703	3.0
173.13249	18.5
175.14769	12.7
177.09056	4.7
177.16438	8.5
180.09319	4.5
181.10086	10.8
183.11659	24.4
185.13190	16.0
187.11201	3.4
187.14818	12.5
189.16357	14.4
191.10551	3.0
191.17961	3.6
195.11668	11.1
197.13269	18.1
199.14746	15.9
201.08946	4.3
201.16325	20.4
203.10681	6.3
203.17879	13.2
205.12173	5.0
205.19423	3.2
207.11696	5.0
209.13364	12.6
211.14816	15.8
213.16327	7.4
215.10663	5.6
215.17947	7.0
217.12181	7.2
217.19493	6.3
219.17320	3.3
219.21042	7.6
223.14799	5.8
224.92905	2.9
225.16370	10.8
227.17862	3.2
229.12280	9.4
229.15895	6.2
229.19446	6.1
231.13841	6.9
231.21092	5.4
233.15527	2.7
237.16318	6.4
239.18018	4.7
243.13724	5.5
245.15419	3.4
245.22665	4.7
251.17847	9.6
253.19649	4.0
255.17464	2.9
257.15231	15.6
269.15332	4.9
269.18872	5.6
271.16983	3.6
271.80872	2.9
275.16376	3.7
279.17584	3.1
279.20987	4.7
283.16901	11.8
283.20236	3.0
287.16107	6.0
295.16974	3.4
297.18488	31.3
297.21799	3.6
301.18115	6.0
311.19809	7.0
315.19525	36.7
325.21475	12.1
325.24863	3.6
327.19565	3.0
329.20999	3.5
333.26187	3.1
343.22586	11.3
353.24554	5.3
371.25638	10.1
377.76904	3.5
379.26358	5.6
389.31912	11.7
397.27365	3.5
407.32983	22.0
417.31314	4.8
425.33936	4.6
430.87973	3.0
435.32513	83.9
453.33554	100.0
518.28735	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	548.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	5.0
55.01844	6.3
55.05502	24.7
56.27057	4.6
57.07065	6.8
58.19272	4.1
62.18214	3.5
67.05486	50.0
69.07053	32.5
71.08662	3.5
71.62856	3.5
71.63306	6.7
74.09704	4.9
79.05468	31.9
81.03427	4.4
81.07044	74.9
82.43934	3.6
83.04972	8.4
83.08607	17.7
91.05457	40.9
93.07021	62.1
95.04948	10.8
95.08587	75.1
95.09164	7.4
97.06503	10.7
97.10107	4.2
99.04403	6.3
105.07011	100.0
105.07668	7.2
107.08578	68.4
108.08971	5.4
109.06514	11.5
109.10135	83.2
111.08063	11.8
117.07026	22.8
119.07768	3.7
119.08556	68.9
121.06500	7.0
121.10108	44.5
123.08038	8.6
123.11694	18.2
127.07513	22.4
128.06161	6.9
129.06969	12.9
129.09081	5.5
131.08551	62.0
133.10097	77.2
135.08003	5.9
135.11655	34.4
137.09624	4.8
137.13158	4.5
142.07750	10.7
143.08531	39.3
144.09283	5.0
145.10092	83.5
147.08006	6.5
147.11647	61.4
149.09607	9.7
149.13248	20.0
155.08542	16.0
156.09355	6.8
157.10110	61.9
159.07965	5.5
159.11668	75.7
161.09625	9.1
161.13214	57.3
163.11137	13.2
163.14789	17.3
168.09280	4.0
169.10121	16.8
170.10814	8.3
171.11659	45.3
173.09514	4.5
173.13266	41.6
175.11147	7.0
175.14793	16.6
177.12741	11.3
177.16350	4.8
179.14290	6.1
183.11661	17.1
185.09572	4.3
185.13245	45.5
187.14793	24.9
189.12717	13.3
189.16423	9.1
191.14366	6.8
195.11658	8.2
196.76537	3.9
197.13255	15.8
199.11221	5.6
199.14772	26.4
201.12677	15.6
201.16362	19.4
203.14304	36.6
203.17949	13.4
205.12256	4.7
205.15871	8.8
207.13727	5.7
209.11626	5.7
209.13405	6.2
211.14798	10.4
213.12669	7.5
213.16466	10.0
215.14262	12.6
215.17812	7.8
217.12297	8.9
217.15750	13.1
217.19579	7.9
219.13683	7.2
221.15347	7.2
225.16318	6.8
229.15805	10.4
229.19411	5.9
231.13828	24.5
233.15300	17.8
233.19113	5.3
235.13126	5.2
237.16335	5.1
243.17578	4.7
245.15396	14.0
247.16888	14.2
249.14696	8.4
253.19484	6.1
263.16446	4.7
271.16833	7.6
275.20197	4.9
281.22345	5.5
297.18329	5.9
297.22040	4.0
327.23151	7.6
347.27396	5.0
371.26117	7.6
375.26947	6.6
379.25958	6.4
389.28159	14.1
391.30026	6.5
393.17743	4.3
393.27631	4.7
407.29080	42.5
409.31015	5.7
417.27856	12.8
425.30161	32.8
435.28818	44.0
435.33383	16.6
453.28989	61.6
471.30505	32.2
530.35089	8.7
548.36212	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	548.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.3
55.05489	19.3
57.07045	9.1
59.65988	5.1
63.33700	4.9
64.31423	4.6
67.05489	50.9
69.03407	10.9
69.07053	24.1
69.55885	9.4
69.56297	34.2
71.04964	6.7
76.31840	4.9
79.05484	34.3
81.03369	5.9
81.07044	73.3
82.07348	5.5
83.08593	13.2
85.02889	43.4
91.05461	34.4
93.07028	59.8
94.07388	7.6
95.04929	15.4
95.08593	70.0
96.08954	5.5
97.06500	11.6
97.09256	5.2
104.10738	6.2
105.07019	61.2
107.08594	55.3
109.06496	5.4
109.10126	42.0
110.10455	5.8
114.92039	4.5
115.86192	4.7
117.06995	14.7
117.57874	4.7
119.08569	57.9
121.06478	5.0
121.10120	100.0
123.08072	5.3
123.11715	26.4
127.07537	7.1
129.06975	13.7
131.08574	48.6
133.10097	51.0
135.11656	43.8
136.12047	6.2
137.09534	6.6
137.13222	7.6
142.07733	6.3
143.08565	32.8
145.10104	78.5
147.08000	9.7
147.11638	59.7
149.02359	5.2
149.09584	7.3
149.13251	21.1
151.11145	9.9
155.08501	11.2
157.10103	49.3
159.11670	59.2
161.09583	11.1
161.13246	32.1
163.11183	7.8
163.14771	10.2
169.10072	21.2
171.11713	33.6
173.13222	26.5
175.11116	7.5
175.14786	15.9
183.11665	13.8
185.13190	29.9
187.11023	7.7
187.14830	19.6
189.12740	7.9
195.11652	12.1
197.09850	5.0
197.13174	13.6
199.14822	28.0
201.12701	12.6
201.16310	13.4
203.10663	5.0
203.14290	22.3
205.15686	6.9
211.14745	11.1
213.12639	6.0
215.14285	10.2
217.12234	6.9
223.14821	5.0
225.16353	7.1
229.67177	5.8
231.13702	11.3
233.15346	13.6
245.15297	13.6
247.17046	8.0
263.16425	7.2
275.41260	5.4
279.20840	6.6
279.69647	5.7
299.99496	4.9
307.24121	17.5
325.25214	7.1
331.24225	10.0
335.23767	8.8
337.27200	8.5
343.81995	4.8
347.11615	5.4
349.25253	17.4
353.24698	21.5
367.26108	10.2
371.25772	37.6
377.24619	8.9
379.25964	6.5
395.25482	13.7
407.29330	53.8
413.26697	7.5
417.27518	5.6
425.30450	63.2
435.28491	33.8
453.29248	45.4
471.31012	83.5
530.38098	10.1
548.39386	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	4.1
55.01864	4.0
55.05499	16.1
57.03429	4.9
66.72997	2.0
67.05486	28.0
69.07043	17.1
71.04971	5.9
79.05471	29.5
81.03402	3.2
81.07039	60.3
81.53208	2.1
83.04971	26.4
83.08612	4.9
85.06534	7.1
88.15366	2.1
91.05453	29.9
93.07027	57.1
95.04960	8.9
95.08579	52.3
97.06533	7.4
99.04462	2.1
99.08092	3.5
103.05426	2.5
105.07009	100.0
106.07354	2.7
107.08578	60.0
107.09283	4.1
109.06475	12.1
109.10136	24.8
111.08049	12.6
115.05397	2.7
117.06985	21.5
119.08558	72.2
121.06479	6.1
121.10119	50.8
123.08043	8.0
123.11713	13.0
125.09584	3.7
127.07523	33.6
128.06200	6.5
129.06969	23.0
129.09077	6.9
130.07739	5.2
131.08542	67.0
131.09509	4.5
132.09293	6.3
133.06488	2.3
133.10106	67.6
133.11063	4.5
135.08034	6.5
135.11664	36.4
137.13249	3.0
141.06982	7.8
142.07727	14.1
143.08524	57.9
144.09282	7.9
145.10095	77.0
147.07993	5.2
147.11655	65.2
147.12772	4.2
149.09628	8.9
149.13251	24.3
151.11172	3.9
155.08522	25.8
156.09326	9.5
157.10097	70.3
159.08044	5.4
159.11664	79.2
159.12993	4.0
161.09601	8.3
161.13226	46.9
163.11179	10.3
163.14772	11.3
165.12776	3.3
167.08546	3.7
168.09309	4.6
169.10074	31.8
170.10872	7.6
171.08080	2.2
171.11662	46.1
173.09642	9.3
173.13229	42.8
175.11172	9.4
175.14777	18.1
177.12764	7.1
177.16286	3.8
179.08577	2.8
179.14418	2.6
181.10104	9.5
182.10840	4.5
183.11670	24.8
184.12419	3.2
185.09639	5.5
185.13225	51.4
187.11145	17.2
187.14801	26.3
189.12685	13.8
189.16408	9.2
191.10669	7.0
191.14301	9.1
193.12231	3.0
193.15878	3.0
195.11656	11.8
197.13275	18.0
199.11159	5.1
199.14792	33.0
201.12740	10.7
201.16403	10.5
203.10669	8.7
203.14256	25.0
205.12198	3.9
205.15941	5.6
207.13745	3.6
209.13220	8.5
209.15230	2.6
211.14729	15.6
213.12756	10.1
213.16364	10.4
215.14301	9.8
215.17838	2.4
217.12250	10.1
217.15756	10.9
219.13776	3.3
219.17433	3.7
221.13371	3.7
221.15331	4.7
223.14772	7.1
223.16776	2.7
225.12747	2.9
225.16347	7.1
227.14340	5.4
229.12234	6.1
229.15962	3.7
231.13741	27.1
231.17426	4.7
233.15378	9.1
235.14911	3.4
235.16891	3.0
237.16371	6.3
239.17868	4.6
243.13777	8.5
245.15257	13.7
247.16925	6.8
249.14639	3.7
251.17946	6.9
253.19420	3.0
257.15521	3.2
257.18951	2.7
260.62146	2.3
265.15933	2.9
265.19492	3.6
269.15314	3.9
277.19650	3.0
279.21008	6.3
285.18246	2.8
297.18692	2.8
297.22012	6.0
307.20718	3.4
307.24197	6.9
308.13486	2.3
325.21603	16.9
325.24973	4.2
331.24319	2.7
333.25812	7.1
335.23553	4.3
343.22580	19.2
351.26956	5.5
353.24725	19.7
354.24915	2.3
371.26398	7.8
377.24487	2.8
379.26309	18.6
389.28394	18.0
393.27856	3.8
397.27283	9.0
399.26926	4.1
407.24286	2.0
407.29352	55.9
409.30896	4.8
417.27759	17.6
425.30435	33.0
435.28922	50.1
453.29932	48.5
454.30167	4.1
471.30844	9.6
530.35449	6.1
548.35822	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	548.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
56.05019	0.6
57.03417	0.3
58.06606	0.5
60.08155	5.7
67.05489	0.9
69.03415	0.4
69.07065	0.7
70.06576	0.2
71.04967	0.2
71.07362	2.6
71.62766	0.2
71.63155	0.2
71.84921	0.2
79.05486	0.9
81.03404	0.7
81.07045	1.1
82.00146	0.2
83.04971	0.5
83.08620	0.5
85.02881	0.4
86.09692	29.5
91.05470	0.7
93.07028	0.7
93.57976	0.2
95.04961	0.6
95.08562	0.9
97.02901	0.2
97.06532	0.5
97.10136	0.2
98.98449	2.9
104.10728	4.2
105.06995	0.9
106.07318	0.2
107.04945	0.3
107.08563	0.8
108.08901	0.2
109.06471	0.3
109.10133	0.6
111.08065	0.3
117.06986	0.4
119.08566	0.8
120.08110	0.2
120.08938	0.2
121.10127	0.5
123.04455	0.2
123.11661	0.3
124.99984	19.4
125.09617	0.6
129.06999	0.2
131.08559	0.5
133.06494	0.2
133.10106	0.7
135.11728	0.2
136.07573	0.3
143.01071	0.4
143.08507	0.4
144.07094	0.2
145.05019	0.2
145.10139	0.6
147.04341	0.3
147.08026	0.2
147.11662	0.8
149.09567	0.3
149.13217	0.2
151.11218	0.2
155.08527	0.3
157.10146	0.5
159.11676	0.6
161.13242	0.2
173.13171	0.3
177.05486	0.2
184.07310	100.0
185.07640	0.3
187.14790	0.2
189.16249	0.3
190.01077	0.2
191.03337	0.3
193.12236	0.4
211.13287	0.2
233.75745	0.2
248.09477	0.2
258.10916	0.4
265.09677	0.2
267.15866	0.3
277.09744	0.3
285.16949	0.3
317.16788	0.2
321.12027	0.2
351.25250	0.3
368.13715	0.3
407.29495	0.3
459.27170	0.3
477.28244	0.3
485.29578	0.2
495.28546	0.3
516.17542	2.4
530.28430	1.5
530.35425	0.3
548.20160	1.7
548.29559	9.7
548.37067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
55.05510	0.3
56.05027	0.6
57.03422	0.4
58.06338	0.3
58.06599	0.5
60.08155	5.8
67.05494	0.9
69.03415	0.2
69.07061	0.6
69.88472	0.2
71.07363	2.8
71.62621	0.2
79.05476	0.7
81.03400	0.3
81.07062	1.1
81.33280	0.2
83.04976	0.4
83.08635	0.2
85.02893	0.3
85.06557	0.3
86.09693	30.6
87.09961	0.2
91.05466	1.1
93.06546	0.2
93.07027	1.2
95.04951	0.6
95.08611	0.9
97.06517	0.2
98.98453	2.4
104.10735	4.6
105.07025	1.3
107.04894	0.2
107.08587	1.0
107.42829	0.2
108.09086	0.2
109.06503	0.4
109.10149	0.7
119.08563	0.8
121.10132	0.7
123.08009	0.2
124.99987	20.5
131.08562	0.5
133.10071	0.6
136.78070	0.2
143.00995	0.4
143.08571	0.5
145.10121	0.9
147.11664	0.4
153.01860	0.3
157.10072	0.6
159.11694	0.7
171.02948	0.2
171.11710	0.3
173.09540	0.2
173.13208	0.3
175.11014	0.3
184.07315	100.0
185.07675	0.7
185.13245	0.4
187.14746	0.4
199.14864	0.3
211.14912	0.3
241.72903	0.2
252.06047	0.2
258.11038	0.3
267.15866	0.6
285.16815	0.4
290.11401	0.2
297.22052	0.2
369.88907	0.3
407.29266	0.4
439.28180	0.4
467.27960	0.5
485.28357	0.3
495.29095	0.3
513.28967	0.3
530.28607	1.4
548.29681	5.9
549.30511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68902	0.1
53.03933	0.1
55.05500	0.5
56.05021	0.5
57.03422	0.2
57.29002	0.1
58.06615	0.4
59.07369	0.1
60.08153	6.8
67.05499	0.8
69.03408	0.3
69.07059	0.5
70.06582	0.2
71.07359	2.7
77.60608	0.1
79.05479	0.6
79.10719	0.1
81.03397	0.5
81.07043	0.7
83.04954	0.3
83.08597	0.2
85.02890	0.3
86.09691	31.0
87.10007	0.1
91.05461	0.6
93.07040	0.6
95.04950	0.2
95.08582	0.6
97.06518	0.1
97.10167	0.2
98.20750	0.2
98.98445	2.8
104.10722	4.4
105.06999	0.6
107.08584	0.4
108.08124	0.1
109.06525	0.2
109.10133	0.4
111.08073	0.1
111.23010	0.1
117.06980	0.2
119.08573	0.5
121.06483	0.2
121.10133	0.3
123.04411	0.1
123.08091	0.1
124.99982	20.3
125.05918	0.1
125.09557	0.3
129.06970	0.1
131.08554	0.3
133.10110	0.5
135.08025	0.1
136.07480	0.2
139.03934	0.1
143.01019	0.5
143.08536	0.2
145.10086	0.3
147.04396	0.3
147.11673	0.2
149.09679	0.2
157.10103	0.3
159.11665	0.3
171.11620	0.2
175.14862	0.2
184.07309	100.0
185.07610	0.4
189.16327	0.2
191.03345	0.2
193.12173	0.2
197.13025	0.1
219.17403	0.1
225.30721	0.1
226.73163	0.1
249.10214	0.2
258.11038	0.4
319.10620	0.3
351.25256	0.2
368.14114	0.1
396.13416	0.1
407.29239	0.2
435.28891	0.2
453.29749	0.2
477.28354	0.2
516.17615	1.8
517.18176	0.2
530.28577	1.1
548.20166	1.4
548.29572	9.6
549.20056	0.2
549.29852	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03939	2.6
55.01863	2.2
55.05508	0.9
57.03429	5.6
57.07069	0.8
59.04983	0.9
61.02916	8.4
65.03926	0.6
65.61621	0.5
67.05497	1.6
69.03420	17.1
69.07056	1.7
70.07391	0.6
71.04980	2.4
71.37616	1.0
73.02903	3.7
79.05478	16.9
81.03402	7.2
81.07049	2.0
83.01318	0.6
83.04971	1.0
84.08105	0.6
85.02891	100.0
85.06528	25.8
86.09704	0.6
87.04464	2.5
89.06013	1.2
91.03946	5.0
91.05466	1.8
93.07031	2.3
95.04943	2.4
95.08586	1.3
97.02876	26.5
97.06520	0.8
99.04435	5.5
101.02394	1.0
102.45324	0.5
103.03925	0.9
105.03377	18.2
105.04465	0.8
105.07024	1.8
107.08604	1.3
109.02855	9.6
109.06518	1.3
111.08087	0.6
115.03914	1.5
117.03383	0.5
119.08511	1.2
120.08073	0.5
121.06506	1.1
121.10127	1.3
123.04408	72.7
123.07991	1.1
124.03933	0.6
124.04726	0.6
127.03893	27.7
135.04404	0.6
137.05928	1.1
145.04933	55.5
145.10081	0.9
147.04366	1.9
147.11467	0.5
149.09566	0.6
151.03867	0.7
151.07535	1.2
159.11752	0.7
163.03989	3.2
163.05992	26.6
165.09138	0.8
167.07124	0.6
181.06940	0.6
189.09055	3.5
193.08580	1.0
204.08665	0.7
207.10089	1.4
211.09605	1.7
221.07979	1.0
229.10680	4.9
267.08459	0.7
285.06821	0.6
285.09680	5.9
287.05411	0.9
288.05832	0.7
289.09094	1.0
312.05814	0.7
315.19812	0.6
325.11044	1.7
333.20319	0.6
368.27161	0.7
369.27240	1.2
385.12589	1.1
386.13025	3.2
530.21320	0.5
548.20636	1.0
549.18951	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20948	1.6
51.81609	1.6
53.03928	3.3
55.01857	4.5
55.05502	28.2
57.03428	13.7
57.07050	7.0
64.22241	1.7
65.03932	5.5
67.05494	89.8
67.38332	1.7
68.05820	2.4
69.03416	1.8
69.07056	30.2
71.04977	7.2
71.08632	4.3
79.05479	56.1
79.20488	2.1
81.03391	5.8
81.07046	100.0
83.04969	6.6
83.08612	16.1
85.06525	6.3
91.05469	37.3
92.05785	2.3
93.07032	71.5
95.04945	12.6
95.08593	68.2
97.06528	11.3
97.10171	5.5
99.08093	2.7
105.07011	32.1
107.04971	1.9
107.08578	45.8
107.79353	2.0
108.08969	2.1
109.06503	4.2
109.10133	30.1
111.08067	7.5
117.06986	14.8
117.07630	1.6
119.08561	28.7
121.06535	2.3
121.10129	32.2
123.04420	3.0
123.08085	1.7
123.11694	11.9
125.09660	2.6
129.07016	4.1
131.08543	23.1
133.10117	24.7
135.08069	2.2
135.11685	22.2
137.09621	3.3
137.13281	3.3
139.11186	3.2
143.08585	7.7
145.08998	2.7
145.10100	18.6
147.11659	16.5
149.09621	2.5
149.13249	25.1
151.11198	2.9
155.08527	2.1
157.10124	7.1
159.11662	19.4
161.13214	9.4
163.11165	3.3
163.14844	4.0
165.12708	2.9
169.10110	4.2
171.11685	6.1
173.11934	1.8
173.13260	7.7
175.14865	5.1
177.12721	4.0
177.16418	2.0
183.11728	2.7
185.13332	5.0
187.13278	1.9
187.14851	6.7
188.92513	1.7
193.12320	2.5
195.11909	1.7
195.13768	9.5
197.13164	2.0
199.14766	4.1
211.15002	2.3
229.14467	2.3
243.21216	3.1
259.20627	2.5
261.22049	16.6
267.15894	4.2
269.17432	46.0
275.20151	3.1
301.25290	4.7
317.24890	4.0
335.25766	34.3
375.28830	2.6
437.34277	8.0
455.35260	8.8
463.76233	1.8
473.36304	7.8
503.37357	5.4
511.37918	3.3
529.38800	84.7
530.39221	3.5
547.39716	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
54.50288	1.6
55.01869	3.6
55.05505	25.1
55.18628	1.6
57.03428	12.3
57.07071	4.7
59.04986	1.9
62.75227	1.5
63.54112	1.6
65.03931	5.3
67.05494	94.3
69.03410	2.5
69.07058	28.4
71.04977	4.7
71.08636	2.4
76.94868	2.0
77.49876	1.7
79.05482	49.9
81.03406	3.4
81.07044	99.0
83.04959	7.3
83.08612	15.3
85.06541	4.4
89.06009	3.8
91.05466	32.7
93.07031	68.4
95.04951	9.2
95.08593	58.4
97.06494	9.8
97.10143	8.6
98.20675	2.5
99.08066	3.4
100.64836	1.6
105.07015	28.1
107.04975	2.2
107.08575	44.7
109.06505	4.0
109.10143	27.1
111.08068	6.3
117.07005	10.3
119.08562	56.6
121.06463	2.7
121.10129	29.8
123.08073	2.5
123.11655	10.9
125.09582	3.1
129.07002	3.7
131.08551	21.2
133.06487	5.0
133.08609	1.8
133.10110	21.3
135.08081	3.1
135.11676	18.8
137.13243	2.8
139.11139	2.5
143.08522	2.6
145.10081	15.3
147.11678	19.6
149.09535	2.8
149.13235	29.0
157.10081	6.9
159.11678	19.6
161.09656	2.7
161.13240	7.2
163.11134	2.8
163.14764	3.8
165.12723	2.9
171.11670	7.2
173.11827	2.9
173.13197	10.9
175.11101	2.6
175.14819	3.1
177.12761	5.7
183.11656	3.2
185.13245	3.8
187.14825	4.2
193.12239	3.0
195.13739	8.5
197.13304	2.3
209.70816	2.0
214.81087	1.7
219.13889	1.7
229.14323	4.3
243.21072	4.5
247.20274	2.1
261.22086	22.0
263.12802	2.4
267.15988	5.8
269.14828	3.0
269.17462	41.0
275.20023	2.7
279.23254	2.4
289.21347	1.9
301.25287	4.0
317.24860	3.9
321.24530	2.0
335.25769	40.2
336.26328	2.1
360.78714	1.8
380.71515	1.8
413.25525	1.9
419.33249	3.5
437.34131	9.2
455.35110	8.7
473.36041	6.6
503.37387	4.0
511.37866	4.3
529.38885	100.0
530.38959	1.9
547.39789	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01869	2.2
55.05503	18.5
57.03428	5.7
57.07066	6.2
65.03936	2.5
66.07192	1.2
67.05497	54.9
69.03426	2.2
69.07060	15.3
69.29287	6.1
69.29716	7.3
70.25667	1.1
71.04986	4.4
71.08620	4.1
75.89365	1.2
76.71356	1.0
79.05486	23.3
81.03410	25.9
81.06567	2.6
81.07047	53.7
83.04974	6.3
83.08610	14.6
85.02895	10.2
85.06526	1.9
86.90286	1.2
89.06028	1.8
91.05472	20.7
93.07031	22.0
95.04961	12.0
95.08600	36.9
95.09213	1.8
97.02898	1.5
97.06534	4.3
97.10178	6.5
105.07019	19.4
107.04971	3.7
107.08578	14.4
109.06526	2.0
109.10133	15.8
109.86751	1.1
111.08077	6.9
117.07016	2.7
119.08575	13.4
121.06512	1.9
121.10144	11.9
123.04469	1.7
123.08060	2.2
123.11718	6.2
125.09646	2.5
129.07001	6.2
130.15372	1.3
131.08543	8.3
133.06482	1.4
133.10114	10.2
135.11734	5.9
137.09665	1.3
137.13226	2.7
142.07782	1.6
143.08530	1.6
145.10143	4.5
147.08080	1.8
147.11690	8.5
149.09612	4.5
149.13297	3.3
157.10132	5.3
159.11720	2.1
161.13225	3.0
163.14888	2.2
165.12811	2.0
173.13295	1.8
175.11131	6.7
175.14774	2.0
193.12225	20.5
199.14795	1.7
211.13254	24.8
227.12843	2.2
235.13324	1.9
241.96788	1.2
245.22641	2.3
252.09120	1.2
263.23642	2.4
267.15903	7.2
277.61273	1.2
279.67252	1.3
289.95615	1.3
337.27383	3.4
403.19037	1.6
419.22455	1.8
437.34009	1.8
445.20374	2.1
447.21878	3.3
455.35001	2.3
455.82193	1.3
473.35706	1.9
474.20587	1.6
475.21078	4.0
529.38794	14.6
547.23364	26.7
547.39832	100.0
548.23602	3.4
548.39581	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34246	1.2
53.03918	2.3
55.01857	7.1
55.05499	16.1
57.03421	10.9
57.07066	2.9
65.03929	2.6
67.05491	62.6
68.05817	1.6
69.03403	4.4
69.07054	20.0
71.04989	6.5
71.08613	1.2
71.63118	2.6
74.99509	1.4
79.05479	41.4
81.03397	2.4
81.07041	67.0
83.04975	10.3
83.08604	7.8
85.02865	1.3
85.06530	9.0
91.05462	65.3
93.07026	49.2
94.07370	1.4
95.04945	10.1
95.08589	26.8
97.06509	7.0
97.10137	3.6
99.04435	1.4
99.08083	2.2
103.05438	1.3
105.07010	76.3
106.07317	1.6
107.04915	2.1
107.08571	53.3
108.08932	1.6
109.06507	7.9
109.10136	66.8
110.10435	2.2
111.08029	3.8
113.05972	3.4
115.05368	1.3
117.07001	13.5
119.08560	39.0
121.06491	2.1
121.10118	16.9
123.08021	4.0
123.11678	12.0
125.09612	2.2
126.08802	1.2
127.07531	5.2
128.06198	2.1
129.05426	1.7
129.06975	7.2
129.08904	1.2
131.08528	18.8
133.10101	100.0
134.10368	2.6
135.08040	2.8
135.11673	16.5
137.09598	2.0
142.07739	2.0
143.08542	9.3
145.10089	16.7
146.10408	1.4
147.08025	1.3
147.11658	33.8
148.12012	1.7
149.09598	3.1
149.13232	8.8
151.11145	39.4
155.08505	1.6
157.10092	7.9
159.11674	16.0
161.09615	3.8
161.13217	27.9
163.11209	1.5
163.14821	3.2
169.12175	7.6
171.11656	10.6
173.13260	9.1
175.11159	1.8
175.14806	11.8
177.12715	1.6
181.76741	1.3
183.11693	1.8
185.13222	9.9
187.14754	4.3
189.16400	1.3
197.13162	1.6
199.14757	3.6
201.16350	3.3
211.13033	1.6
213.16394	2.3
215.12799	4.6
215.17862	1.9
231.20969	7.4
241.15712	1.6
241.19452	28.3
253.14305	78.9
254.14487	2.0
255.16154	1.5
257.19012	1.8
259.20532	66.2
271.15356	60.4
275.19971	3.7
277.21671	7.3
313.21722	2.0
315.23111	6.7
333.24191	43.4
333.28186	2.3
349.23651	2.2
351.25238	2.8
434.31232	2.5
452.32364	3.7
455.31158	2.7
473.12073	1.4
501.52054	1.5
511.34201	8.7
529.35089	31.1
530.35223	1.6
547.36505	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	546.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70404	9.0
67.05519	10.0
69.07035	8.5
88.67582	10.0
91.05468	10.5
95.08613	13.8
95.17709	8.9
97.35964	10.4
105.07015	15.0
109.10111	10.8
131.70193	11.1
140.42407	9.6
151.85718	9.1
200.31393	9.9
227.50301	12.2
230.15242	12.2
245.90677	10.0
257.85492	9.5
258.50354	10.5
313.27225	18.1
357.36612	11.4
546.41364	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39941	0.3
55.01859	0.8
57.03406	1.3
60.10729	0.3
60.67744	0.4
61.02895	1.3
66.92052	0.3
69.03412	5.1
69.66780	2.4
70.06541	0.5
71.04975	0.5
73.02885	1.3
77.00883	0.8
78.95452	0.3
79.05488	0.4
81.03384	2.1
82.99844	0.9
83.04942	0.5
84.08118	0.4
85.02886	10.8
86.03202	0.5
87.04443	1.0
89.39268	0.3
91.03909	0.6
94.99832	0.5
95.01940	0.9
95.04954	0.3
97.02866	4.4
99.04424	1.2
101.00854	4.4
101.02354	0.3
105.06990	0.6
109.02836	1.2
113.00841	0.5
115.02400	0.5
115.03934	0.5
119.01901	20.0
119.04874	0.7
120.01993	0.9
121.02853	3.8
121.06469	1.2
122.03139	0.5
123.04404	0.8
127.02385	0.8
127.03890	5.4
128.04224	0.4
129.05453	0.4
131.01849	2.2
133.01576	0.4
133.03400	1.8
135.04375	0.8
136.06157	0.6
137.02020	0.6
137.02930	3.4
137.05949	0.7
139.02385	1.6
139.03935	0.5
142.03458	0.6
143.01859	8.6
145.01643	0.8
145.03419	10.2
145.04916	4.4
146.05254	0.4
147.01340	1.1
147.04391	1.3
149.02896	0.6
151.04482	0.6
153.03117	0.5
155.01852	3.1
157.03439	18.9
157.42589	0.4
158.03568	0.6
159.03169	0.6
159.04977	0.8
161.02930	11.8
161.05882	1.0
162.03055	0.8
163.02612	0.7
163.03922	1.8
163.04384	1.7
163.05910	0.7
164.04297	0.4
167.01869	1.7
167.06995	1.7
169.03424	1.7
171.04951	2.0
173.01549	0.3
173.02921	7.9
173.04309	0.7
175.02956	0.4
175.04477	13.8
176.04794	0.5
177.04060	0.4
179.01849	1.1
180.04980	0.5
181.05464	1.6
183.04976	0.6
184.04378	0.7
184.05775	1.3
185.02924	11.4
185.06581	0.8
186.03098	0.7
187.02997	0.5
187.04512	2.9
189.06088	0.5
191.03978	0.5
193.05843	0.4
193.08559	0.4
196.04547	0.4
197.02925	4.5
198.98480	1.0
199.04459	1.2
201.02261	0.4
203.03972	4.1
204.08807	0.4
205.03702	0.8
205.05531	8.5
206.05669	0.5
207.05135	0.5
207.07021	0.4
208.04517	0.4
209.03046	0.4
211.04532	0.6
213.05875	0.4
215.03912	3.3
216.04340	0.4
217.05534	0.5
219.03465	1.1
221.02983	0.9
221.05055	1.6
221.06873	0.7
223.06583	40.9
224.06773	1.3
225.06294	0.9
227.03883	2.2
229.06030	1.1
233.06697	0.8
234.98985	0.5
235.04512	0.6
235.06606	1.0
235.08875	0.4
239.04034	1.3
239.07619	0.4
241.07640	15.6
242.07948	0.6
243.07167	0.4
244.06747	0.6
245.05032	22.2
246.05257	1.1
246.08238	1.3
247.04468	1.9
249.05879	0.4
251.05917	0.7
253.05536	0.8
257.04922	1.4
259.06543	1.0
263.06110	3.8
265.07639	100.0
266.07892	2.5
267.07242	0.8
267.14578	0.5
271.06458	0.6
273.08475	0.7
274.08636	0.4
275.05975	2.3
277.07718	5.9
279.09259	1.3
283.08679	0.9
285.07617	0.4
286.07333	1.1
286.57394	0.4
287.05884	0.5
289.07703	4.5
291.14450	0.9
293.07208	1.3
294.07910	0.5
295.08704	7.6
301.07590	2.5
305.07111	3.1
305.10645	0.6
306.10364	0.7
307.08820	1.2
309.10492	0.4
309.15488	0.5
317.07169	0.6
319.08847	1.5
321.10474	0.6
325.09756	13.7
331.08536	0.7
335.08127	1.5
337.09885	5.7
343.08411	1.8
347.08240	0.5
349.09711	2.6
351.09351	0.5
353.09277	1.0
355.08408	0.6
365.09201	4.5
367.10809	11.5
368.10773	0.8
369.10245	1.9
375.10208	0.7
383.11548	0.8
385.11816	1.2
387.13303	0.7
397.09723	1.4
409.09256	0.5
411.11026	1.0
427.12286	0.8
429.19708	0.9
457.12109	0.5
467.10233	0.6
480.85715	0.5
487.12869	8.4
529.14056	1.3
547.12958	8.2
547.22382	0.6
566.30939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.05509	12.3
65.03917	2.4
67.05489	26.0
69.03416	28.0
69.07061	16.5
69.52140	19.7
71.04993	4.4
79.05479	23.1
81.07041	53.7
83.08603	7.2
85.06540	2.8
91.05463	24.3
93.07027	49.7
95.04951	7.1
95.08591	67.5
97.06510	25.2
97.10176	5.1
105.07012	74.0
107.08572	65.8
107.09277	4.4
109.06499	4.1
109.10130	43.5
111.08063	3.8
115.05436	4.0
117.06973	16.4
119.08562	64.5
121.06492	4.0
121.10113	53.6
123.08040	8.5
123.11683	22.7
125.05123	2.1
125.09606	38.0
127.11173	9.6
128.06219	4.3
129.06979	18.4
131.08549	56.7
132.09332	4.3
133.10103	55.8
135.08060	4.0
135.11664	54.4
137.09476	2.4
137.13206	6.1
141.06955	4.5
142.07756	11.9
143.08540	36.5
144.09300	4.4
145.10091	82.1
146.10735	2.3
147.08020	5.8
147.11661	53.4
149.05913	2.4
149.09666	4.5
149.13258	13.9
154.07816	2.3
155.08511	11.6
156.09280	4.8
157.10101	56.6
158.10883	3.0
158.55493	2.1
159.11662	70.9
161.09599	6.2
161.13228	31.3
163.11211	6.6
163.14815	7.6
163.54686	2.3
165.06946	2.3
169.10094	16.7
171.07932	2.5
171.11649	35.4
172.12363	2.1
173.09674	6.3
173.13246	41.7
175.11188	10.0
175.14792	18.0
177.08957	3.3
177.12721	4.7
177.16385	6.1
181.10170	3.5
183.11639	10.5
184.03893	2.6
184.12527	2.5
185.09685	3.1
185.13242	37.4
187.11192	6.0
187.14774	48.5
189.12758	9.7
189.16360	12.8
191.10646	3.0
191.14331	4.2
191.17920	5.5
195.10002	2.8
195.11690	8.1
197.13222	15.3
199.11221	3.0
199.14796	38.6
201.12733	5.0
201.16338	45.0
203.10802	3.4
203.14328	8.2
203.17873	5.2
205.12225	4.1
205.15887	8.7
207.13681	2.1
207.41570	2.2
209.13289	6.1
211.14771	6.9
213.12816	3.1
213.16370	13.0
215.10440	2.7
215.14270	7.0
215.17921	7.1
217.12247	8.6
217.15813	13.4
217.19485	4.1
219.13846	4.8
219.17455	6.6
223.14780	2.5
225.16429	6.7
227.14316	4.1
227.17928	8.1
229.15851	2.3
229.19510	2.8
231.13756	16.7
231.17474	9.3
233.15405	7.7
237.16357	3.2
239.17915	5.8
241.19572	2.9
243.13792	3.4
245.15370	8.8
245.19006	4.6
253.19434	3.7
259.20523	4.3
263.16080	2.4
265.19547	3.9
267.21021	3.6
279.21155	2.2
297.22174	2.2
337.25272	2.6
339.26767	4.4
349.25076	3.7
367.26334	3.9
373.27734	2.8
375.88162	2.4
377.28293	7.4
385.27136	7.6
387.30362	14.8
405.31464	73.3
407.32919	7.7
415.29755	5.7
423.32495	53.4
433.30969	71.0
451.32010	100.0
469.32852	19.5
528.37250	3.5
546.37665	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	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66788	1.4
53.03934	3.0
55.01868	2.5
55.05503	22.9
56.05814	1.5
57.03429	8.3
57.07061	3.2
63.89238	1.5
65.03931	4.5
67.05494	89.1
67.82761	1.4
68.05817	3.3
69.03410	3.6
69.07062	19.5
69.52686	12.6
71.04980	5.6
73.02888	1.5
77.03927	1.8
79.05483	62.2
80.05807	3.0
81.03407	8.2
81.07047	100.0
82.07378	4.5
82.67237	1.6
83.04971	4.5
83.08598	12.5
85.02901	5.7
85.06533	5.6
85.10155	2.0
91.05466	36.1
92.05793	3.2
93.07030	68.7
93.62462	1.5
94.07388	3.3
95.01330	4.9
95.04973	9.4
95.08594	76.3
96.05277	1.6
96.08925	1.6
97.06512	5.5
97.10146	11.1
98.21487	1.8
99.08088	3.5
100.02470	1.4
105.07018	38.1
106.07341	3.8
107.04953	3.2
107.07848	3.3
107.08575	52.3
108.08914	3.3
109.06513	6.3
109.10140	52.8
110.10471	4.3
111.08075	2.6
113.09606	2.7
117.07018	13.8
119.04974	2.0
119.08567	32.9
119.09436	1.7
120.08871	2.4
121.06532	2.5
121.10126	43.2
122.10477	2.0
123.08123	3.3
123.11689	22.1
125.09631	8.9
126.09913	1.7
128.06151	1.5
129.06990	5.0
131.08549	30.8
132.08893	1.9
133.10110	25.3
134.10440	2.3
135.08054	3.9
135.11671	30.5
136.94983	1.7
137.09627	4.2
137.13235	8.9
141.01797	6.5
143.08522	7.4
144.09065	1.9
145.10112	22.7
146.10471	1.9
147.11665	18.9
148.12021	1.7
149.09622	3.7
149.13235	22.2
151.11148	4.5
151.14790	4.9
153.12761	2.3
155.08527	2.2
157.10121	6.9
158.10579	1.5
159.11665	21.6
161.09630	2.2
161.13264	14.9
163.11124	4.2
163.14807	15.2
165.12718	2.9
169.10080	4.2
171.11737	3.1
173.11823	1.5
173.13226	20.1
174.13612	1.6
175.14821	6.2
177.12836	2.1
177.16379	7.3
177.85913	1.8
179.14238	3.6
183.11656	2.7
185.13252	5.3
187.14815	12.5
189.16409	3.2
191.14268	2.0
197.13319	2.4
199.14784	4.4
201.16377	5.1
205.15810	2.9
219.17450	3.0
226.50308	1.8
227.12703	2.9
228.13239	1.7
233.22739	3.4
243.21040	35.7
261.22110	90.8
262.22488	3.7
267.15872	4.7
268.16281	2.0
269.50079	1.7
275.20135	2.0
276.20297	2.0
279.23221	6.3
291.19531	2.3
292.19724	1.8
294.09326	1.5
302.25656	2.8
303.23029	1.6
335.25754	34.6
336.26071	3.3
353.26810	42.6
378.71729	1.6
405.30734	3.4
407.02704	1.6
433.30893	4.6
436.32983	2.4
451.32214	7.3
454.33801	2.4
472.35205	3.8
510.36981	2.4
511.28882	6.1
528.37549	18.7
546.14905	6.0
546.39063	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	546.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.8
55.05503	24.2
57.03420	4.3
57.07048	5.4
62.77122	1.9
65.03906	2.5
67.05492	33.6
67.06602	1.9
68.05833	3.8
69.07059	13.9
70.70633	2.5
70.70965	5.0
71.04973	4.8
75.75663	1.7
79.05477	20.1
81.03396	10.3
81.07038	51.6
82.07352	5.4
83.04971	100.0
83.08595	8.4
85.06534	3.0
91.05466	18.8
92.05790	3.0
93.07030	33.8
94.07336	4.1
95.04938	9.0
95.08032	3.5
95.08593	44.8
95.12872	2.5
95.90150	2.3
96.08904	3.0
97.06483	3.7
97.10137	4.6
99.08116	2.2
105.07007	30.1
106.07311	4.5
107.08580	27.6
108.08897	3.3
109.06519	3.7
109.10137	29.3
110.10480	2.7
115.91972	1.7
117.07001	10.5
119.08559	27.0
120.08894	5.0
121.06454	2.8
121.10125	39.4
122.10461	3.2
123.08003	3.2
123.11691	21.1
124.61671	2.0
125.09594	10.4
127.11161	4.5
128.06218	3.8
129.06998	10.2
131.08565	21.0
132.08856	4.2
133.10104	24.5
135.11668	17.6
136.11906	2.3
137.13229	8.8
141.06964	4.0
142.07755	4.5
143.08530	20.6
144.09131	2.3
145.10115	27.6
146.10493	3.2
147.08008	3.1
147.11652	24.8
148.11998	2.5
149.06055	2.5
149.09625	3.0
149.13220	10.9
151.11090	2.3
155.08521	12.6
157.10086	26.1
159.11650	24.1
160.11963	2.2
161.13232	13.2
163.11108	3.1
163.14769	4.2
169.10109	13.7
171.11653	21.1
173.13206	12.0
175.11156	4.8
175.14766	4.9
177.12666	2.2
177.16353	2.3
181.10005	4.1
183.11662	9.8
185.13260	15.4
187.11140	4.0
187.14737	12.2
189.16371	4.1
195.11650	5.8
197.13243	11.2
199.14737	13.1
201.12683	3.5
201.16306	10.5
203.10612	2.8
205.12126	3.1
205.15807	3.9
209.13211	5.8
211.14795	5.4
213.12761	2.1
213.16364	4.2
215.10712	2.7
217.12160	7.3
217.15819	3.4
219.17433	7.8
223.14784	5.0
225.16319	4.4
227.12619	3.3
229.12158	4.1
231.13806	3.9
231.17368	3.6
233.15251	2.5
237.16229	4.7
241.19466	2.5
243.13741	4.5
245.15379	4.6
249.14763	3.5
251.17952	3.2
253.19516	4.3
257.15268	2.5
262.22311	4.3
265.19397	2.8
267.15869	2.9
268.16260	3.9
277.19470	2.3
302.25766	2.8
307.24078	10.5
309.25537	4.1
325.25058	7.3
335.23126	2.7
336.26114	5.3
349.25082	3.3
353.24701	22.8
369.23950	4.8
371.25742	41.0
387.30426	2.6
405.31567	17.6
407.33148	4.2
423.32559	16.1
433.30881	6.5
436.32779	4.4
451.31937	25.1
454.33575	3.3
469.33084	65.8
472.34839	4.4
527.04205	2.3
528.37555	20.9
546.38593	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91723	3.0
53.03935	6.3
53.55459	2.2
55.01862	18.0
55.05256	3.2
55.05500	40.1
57.03429	33.9
57.07068	3.6
65.03932	2.9
66.02117	2.2
67.05495	51.7
69.03418	13.1
69.07054	21.5
69.27052	29.2
71.04982	7.3
73.02901	7.4
79.05478	50.2
81.03408	85.9
81.07043	54.0
82.04189	5.3
82.42006	2.3
83.04965	27.5
83.08611	40.5
85.02898	33.0
85.06519	4.8
91.04890	3.1
91.05469	54.2
93.07027	32.8
95.04955	48.9
95.08580	23.0
96.16729	2.5
97.02888	11.9
97.03423	2.3
97.06541	11.2
97.10136	18.0
98.07294	5.5
99.04427	3.6
99.08104	3.0
101.06026	2.2
105.07021	35.3
107.04923	15.2
107.08574	26.4
109.06514	10.9
109.10165	17.2
111.04417	4.2
111.08072	14.7
113.79118	2.5
115.05429	3.2
116.04690	13.6
117.07031	6.1
119.08564	41.0
121.06478	4.6
121.10128	16.4
123.08054	9.4
123.11730	2.9
125.09633	20.7
127.11206	3.6
129.05475	36.5
129.06963	19.1
131.08565	19.0
133.06493	6.6
133.10104	26.5
135.08044	3.1
135.11674	7.9
137.09578	5.8
142.07729	2.6
143.07021	6.5
145.10106	7.7
147.07979	4.3
147.11655	23.5
149.09642	13.9
153.01796	4.2
157.08614	17.9
157.10101	23.9
163.11159	7.2
165.12675	6.1
171.06479	5.1
171.10164	6.9
173.09694	2.7
173.11653	3.8
175.11166	23.0
179.14355	3.2
189.11227	9.7
193.12213	82.6
199.09431	2.7
199.13174	11.8
209.11719	8.8
211.13261	100.0
217.19513	3.0
227.12756	13.6
229.14392	3.0
267.15894	27.3
273.07544	8.2
283.15506	6.1
285.16925	86.3
286.17264	3.0
301.16406	95.5
405.29922	10.7
409.25467	2.6
459.27042	5.0
476.27417	3.1
477.28470	2.9
493.27750	13.2
494.28687	7.2
511.28989	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	546.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01653	0.9
55.01864	10.6
55.05483	1.1
56.96549	1.0
57.03421	1.7
57.07072	7.3
59.04963	1.7
61.02910	2.1
67.05479	4.8
69.03416	11.6
69.07053	10.0
69.19798	1.1
70.02957	6.5
70.06555	1.4
70.95693	2.1
70.96033	2.0
71.04983	1.8
72.04134	1.8
72.04505	23.4
73.02903	14.4
74.02423	1.0
81.02986	1.9
81.03413	19.1
83.04965	7.9
84.04443	1.5
84.08139	1.3
85.02894	14.6
85.06532	8.9
86.09694	2.5
87.08070	4.6
90.05544	43.5
95.04959	9.6
97.02887	12.9
98.02399	16.5
98.97574	1.9
99.04446	6.0
100.03952	7.6
103.07534	3.9
109.02858	29.7
111.04413	2.3
111.87480	1.1
112.07534	1.3
112.56422	1.0
113.05993	5.6
115.03893	1.7
116.03432	25.1
121.02847	1.1
121.06467	1.4
123.04392	1.6
124.07571	27.2
126.05546	1.1
127.03905	19.2
129.05469	2.5
131.07013	1.6
132.06538	10.2
132.10190	1.7
136.06155	4.2
137.05917	1.2
137.09825	1.1
138.05482	2.5
139.03958	1.4
142.08618	16.4
145.04921	6.4
147.04373	3.2
156.10165	2.0
160.09636	6.3
161.05952	1.8
162.07655	2.0
163.03909	5.6
166.08580	5.2
167.07033	2.2
172.09673	5.6
174.11205	7.2
181.04939	2.7
184.09669	38.8
186.62044	1.2
187.05946	1.7
193.08557	2.6
198.07582	3.1
199.05992	5.3
202.10713	100.0
203.11363	2.9
211.09573	7.8
216.08607	6.3
217.07024	3.4
220.11769	25.2
226.10796	1.4
230.10246	13.6
234.09662	10.4
239.23352	1.4
244.11769	3.8
252.07248	1.9
262.12811	18.8
310.12820	9.9
328.13843	93.3
329.14478	1.2
346.10641	1.4
346.14865	24.1
348.16409	1.4
363.13074	1.6
364.15967	68.3
366.17480	1.3
391.14624	1.1
416.17456	2.5
510.20856	1.8
528.22595	5.2
546.23822	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01853	4.0
55.05499	23.9
57.03426	6.3
57.07063	3.0
59.04974	1.0
65.03918	1.8
65.89563	0.8
67.05493	48.8
69.03410	3.4
69.07056	12.2
70.70650	0.9
70.71002	2.5
71.04971	3.4
79.05475	29.3
81.03404	22.2
81.03806	0.6
81.07041	44.8
82.07363	0.8
83.04980	5.2
83.08605	15.1
85.02892	1.7
85.06538	2.7
91.05469	25.2
93.07025	31.4
95.04948	15.5
95.08588	29.6
97.06505	4.2
97.10149	15.4
99.08086	1.1
105.07008	23.3
107.04953	5.8
107.08576	21.4
109.06524	4.6
109.10137	18.7
110.99232	0.8
111.08069	5.2
115.05451	1.1
117.06999	8.6
119.04903	1.1
119.08559	21.2
121.06506	5.2
121.10126	14.7
121.91618	0.9
123.08047	3.6
123.11693	6.3
125.09615	10.9
128.06212	1.9
129.06979	10.1
131.08553	18.7
133.06474	2.1
133.10097	16.1
135.08049	4.6
135.11658	11.0
137.09604	2.6
137.13263	1.8
141.06940	1.4
142.07782	1.2
143.08519	6.3
145.06465	1.6
145.10109	13.7
147.08038	3.4
147.11676	11.1
149.09608	3.6
149.13251	5.2
151.11208	2.0
152.60550	0.8
153.09093	1.0
155.08533	2.6
156.09355	0.9
157.10100	9.1
159.11681	12.6
161.09607	2.6
161.13229	7.0
163.11180	3.0
163.14851	1.1
163.38283	0.8
169.10112	3.2
171.10304	1.3
171.11617	5.5
173.11823	1.1
173.13173	7.4
175.11188	3.7
175.14787	2.8
177.12720	1.3
177.16292	0.8
179.08476	1.3
181.10121	1.7
183.11700	2.9
185.11807	0.8
185.13197	4.7
187.13319	0.8
187.14828	3.3
189.11208	7.3
189.12756	1.5
189.16348	1.6
193.10486	1.5
193.12172	9.3
197.13268	2.5
199.14847	2.2
201.16316	1.9
205.12238	1.1
205.15945	0.9
211.13274	2.6
211.14955	1.3
213.12845	1.1
213.16475	1.5
219.13779	1.1
223.14841	0.9
227.12744	10.3
229.14151	1.0
231.17470	0.8
233.15514	1.3
239.17798	0.9
241.19588	1.0
243.21062	2.5
247.16998	2.0
249.14679	1.5
249.35788	0.8
257.18921	1.1
259.20547	1.8
261.18521	1.0
261.22101	10.7
267.15887	21.1
269.17288	2.1
273.18631	1.2
273.22229	1.4
275.19974	1.1
279.19751	0.8
279.23257	1.9
283.24124	1.4
285.22195	3.0
287.20016	1.4
293.21133	1.1
295.22641	1.4
299.23630	2.0
301.21777	1.6
301.25165	12.2
303.23224	1.1
317.24841	2.5
329.21017	1.4
333.24182	1.8
335.25766	13.4
341.24631	1.1
359.25833	1.8
373.27548	1.1
403.24512	1.5
417.31320	1.0
421.25854	3.8
435.27591	1.9
435.32605	5.4
453.33646	10.7
471.34601	7.1
501.35751	1.1
509.36230	2.9
527.37244	47.9
528.37433	3.4
545.38275	100.0
546.38605	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	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01859	2.3
55.05505	20.6
57.03432	8.1
57.07066	1.9
59.04980	1.0
65.03923	1.7
67.05499	41.8
69.03414	3.2
69.07063	11.1
69.55674	7.0
71.04977	3.1
75.07897	0.8
75.20875	0.7
79.05486	42.5
80.20793	0.7
81.03407	31.1
81.07048	43.4
83.04974	6.1
83.08607	14.8
84.51980	0.8
85.02901	15.8
85.06528	2.6
91.05474	33.8
93.07035	41.2
95.04956	16.8
95.08597	27.8
97.02897	1.7
97.06529	4.6
97.10151	6.5
103.91991	0.7
105.07018	24.2
107.04951	3.6
107.08577	20.0
109.06503	4.2
109.10144	11.9
111.04435	1.5
111.08049	5.7
113.06001	1.0
115.05405	1.5
117.07007	6.5
119.08567	19.7
121.06508	3.0
121.10125	17.1
123.08040	2.6
123.11740	4.5
125.09592	4.5
128.06235	1.1
129.06985	7.7
130.07880	0.9
131.04811	0.8
131.08546	16.8
133.06490	2.3
133.10120	11.8
135.08069	1.5
135.11673	8.6
137.09596	1.6
137.13283	1.3
140.00659	0.8
141.46201	0.8
142.07773	1.6
143.08557	3.6
143.24152	0.9
145.10104	9.2
147.08044	2.5
147.11670	11.9
147.12756	1.1
149.09598	3.1
149.13246	3.7
155.08638	1.0
157.10118	8.7
159.11646	6.3
161.13206	3.8
163.11177	1.0
163.14743	1.2
165.04884	0.7
165.12794	2.3
169.10132	1.7
171.11690	3.2
173.13217	4.9
175.11154	6.6
175.14812	1.8
178.53041	0.9
181.10139	0.9
183.11697	1.1
185.13248	2.1
187.14807	2.7
189.11221	2.7
193.12221	25.8
197.13217	2.2
199.14844	1.4
201.16356	1.1
211.13245	32.0
217.83118	0.8
225.16315	0.9
227.12830	3.6
239.86182	0.9
243.21220	1.6
261.22131	5.8
267.15891	8.8
285.22092	1.9
299.23651	1.1
301.25192	5.0
303.23206	1.8
317.24915	1.3
335.25723	7.3
359.25754	1.2
397.06442	0.9
417.31528	1.4
435.32416	4.9
453.33566	5.6
471.34753	3.1
509.35956	1.7
527.37244	21.6
545.38312	100.0
546.38483	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.03932	2.2
55.01858	1.7
55.05255	1.2
55.05499	14.6
57.03426	5.9
57.07068	1.8
58.17459	0.7
59.04999	0.7
65.03925	2.0
67.05492	34.6
69.03417	2.2
69.07053	7.9
69.55446	3.9
69.55856	1.5
71.04971	4.1
79.05476	33.2
81.02914	1.1
81.03403	26.8
81.07037	35.0
83.04951	5.5
83.08139	0.8
83.08604	11.7
85.02890	13.0
85.06530	1.3
85.47043	0.7
91.04893	1.0
91.05462	24.1
93.07024	34.6
94.96874	0.7
95.04951	13.9
95.08586	22.0
97.02848	1.5
97.06503	3.4
97.10149	4.9
103.57244	0.7
105.07012	17.9
105.07668	1.4
107.04951	2.3
107.08578	15.9
109.06498	3.1
109.10140	8.2
111.08055	5.3
113.06010	1.0
115.05450	0.9
115.28550	0.7
117.06980	4.9
119.08558	15.7
121.06519	1.6
121.10124	14.8
123.08070	2.1
123.11703	3.7
125.09599	3.5
129.07002	6.3
131.08539	10.8
133.06468	1.1
133.10114	9.9
135.08061	1.0
135.11655	6.2
137.09616	1.7
137.13220	0.9
142.07744	1.3
143.08546	2.0
145.10086	6.1
147.08015	1.2
147.11649	9.3
149.09627	2.3
149.13234	2.8
151.11180	0.8
155.08513	1.0
157.10120	7.1
159.08063	0.9
159.11678	4.4
161.13219	3.3
163.11234	0.8
163.14862	0.8
165.12717	1.4
169.10107	0.8
171.11642	1.7
173.13235	3.1
175.11171	6.0
175.14832	0.9
183.11537	0.9
185.13231	0.9
185.70631	0.7
187.14801	2.1
189.11177	1.4
193.12218	23.3
199.14783	1.1
201.16454	1.1
211.13248	30.7
211.15210	1.5
223.14969	0.9
227.12787	2.7
233.18843	0.8
243.21037	1.0
261.22076	4.3
267.15854	4.9
285.21884	0.9
285.96796	0.6
301.25320	2.5
303.23047	1.1
335.25671	4.1
421.25729	0.7
435.32663	2.3
453.33521	2.5
471.34766	1.5
498.40286	0.7
509.36386	0.9
527.37219	13.2
528.37476	0.9
545.38263	100.0
546.38763	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.2
53.03930	3.7
55.01855	3.1
55.05501	25.0
57.03427	7.6
57.07072	2.9
60.61197	1.3
63.93933	1.0
65.03936	5.0
67.05493	61.1
68.05824	1.6
69.03408	1.2
69.07056	27.1
70.07401	1.2
71.04971	4.6
73.06527	1.2
77.03943	0.9
79.05479	48.7
80.05797	1.3
81.03419	5.0
81.07043	78.1
82.07391	3.6
83.04958	6.3
83.08608	13.5
85.06532	5.8
91.05464	44.0
91.33687	1.0
92.05759	1.5
93.07027	56.4
94.07355	2.7
95.04951	10.8
95.08591	45.8
96.08926	2.5
97.06523	7.8
97.10130	8.1
99.08077	4.2
102.61542	1.1
103.05459	1.2
105.07008	45.5
106.07346	1.4
106.50470	0.9
107.04977	1.6
107.08575	34.3
107.09283	2.0
108.08955	1.5
109.06521	3.4
109.10137	20.8
109.10812	1.8
110.10477	2.2
111.08080	4.3
117.07004	16.9
119.08564	36.9
120.08923	1.5
121.06472	2.6
121.10113	29.1
123.08041	3.4
123.11689	12.2
125.09620	3.1
128.06227	2.5
129.06985	9.8
131.08549	31.3
132.08986	1.0
133.06427	1.1
133.10112	22.2
133.11063	1.8
135.08092	2.6
135.11679	15.6
137.09598	2.2
137.13242	3.1
139.11214	1.6
141.06992	3.0
142.07747	2.7
143.08548	14.6
145.06462	2.1
145.10089	25.5
146.10568	1.1
147.11670	36.4
149.09598	2.8
149.13251	12.1
150.13565	1.6
151.11159	1.5
155.08539	4.8
157.10103	14.5
159.11674	19.6
159.12857	2.0
160.12018	1.5
161.09651	1.6
161.13217	12.4
163.11110	1.5
163.14803	3.4
165.12729	12.0
167.08456	1.3
169.10107	9.0
171.11671	13.8
173.09639	1.3
173.13229	15.6
175.11110	2.2
175.14848	5.4
177.12827	2.2
177.16383	1.8
181.10118	4.0
183.11659	8.0
185.13269	11.4
187.11200	1.5
187.14784	7.7
189.11211	1.6
189.12747	1.1
189.16461	1.6
193.12254	3.0
195.11696	4.1
195.13861	3.0
197.13228	6.9
199.14806	5.4
201.16412	2.3
209.13321	2.5
211.14836	4.4
211.16743	1.0
213.16368	1.9
223.14828	2.6
225.16399	1.7
227.12659	1.4
227.17914	1.2
229.14349	1.9
229.75293	1.1
231.21028	2.1
239.17973	1.2
241.19624	5.7
243.17464	1.4
243.21042	2.3
249.16525	1.3
257.18964	1.3
259.17780	1.9
259.20496	12.9
261.22104	10.3
267.15860	23.4
269.17325	10.2
273.18375	1.5
273.21973	1.1
275.20059	2.4
277.21643	2.3
297.22311	1.6
299.20233	1.3
299.23373	2.4
301.21649	2.3
301.25070	1.8
309.22037	1.7
311.23651	1.5
315.23239	2.6
317.24713	2.8
325.25369	1.2
327.22943	1.9
333.24185	8.1
335.25793	2.3
417.31519	4.4
423.32700	1.9
425.34134	4.3
435.32614	13.1
443.35342	1.7
453.33582	16.3
471.34579	13.4
489.35507	1.3
491.34836	1.3
499.37830	3.0
509.35953	4.9
515.37457	2.6
517.38806	13.7
527.37225	79.0
528.37555	2.8
545.38202	100.0
545.50055	4.4
546.38574	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45693	0.7
51.59299	0.7
53.03946	4.7
55.01851	2.6
55.05501	18.4
57.03435	7.1
57.07058	1.3
59.04960	1.1
59.11346	0.6
61.29689	0.7
65.03922	2.4
67.05495	38.4
69.03413	3.2
69.06705	1.0
69.07054	10.2
69.54961	5.9
70.98215	0.7
71.04971	2.9
74.41122	0.6
79.05483	41.0
81.03410	29.5
81.07047	39.3
83.04968	8.4
83.08604	16.2
85.02888	14.4
85.06539	1.8
91.04883	1.0
91.05467	31.3
93.07030	40.3
95.04351	1.5
95.04958	19.0
95.08595	24.5
97.02869	1.6
97.06509	4.0
97.10161	6.0
98.21454	1.0
99.08095	1.1
103.05510	0.9
105.04452	0.9
105.07020	22.6
107.04952	3.2
107.08585	19.2
109.06490	3.7
109.10148	10.9
111.04388	1.4
111.08066	6.2
113.05975	1.2
115.05439	0.9
117.07006	5.6
119.08570	19.3
121.06487	1.7
121.10115	16.6
123.08077	1.8
123.11651	4.6
125.09633	2.4
129.07004	6.7
131.08551	14.5
133.06480	1.5
133.10112	12.0
135.11668	9.0
137.09601	1.5
137.13258	1.1
142.07729	1.3
143.08554	1.9
145.10088	7.4
147.08012	1.8
147.11656	10.5
149.09592	3.1
149.13226	3.9
155.08514	1.0
157.10123	7.2
159.11684	4.4
161.13249	3.2
165.12790	1.7
169.10083	1.7
171.11639	1.7
173.13243	4.9
175.11180	7.2
175.14816	1.5
183.11684	1.1
185.13148	1.5
187.14735	1.0
189.11211	1.4
193.10435	1.4
193.12219	26.8
199.14839	0.9
201.16412	0.7
211.13251	29.3
227.12708	1.3
243.21127	1.8
249.14883	1.2
261.22211	5.6
267.15924	5.9
285.22058	0.9
301.25226	2.3
317.24677	1.3
335.25806	5.4
435.32706	1.7
453.33463	2.8
471.34665	1.9
502.90195	0.8
527.37238	13.1
528.37018	0.8
540.12256	0.9
545.38306	100.0
546.38483	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	545.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49911	0.8
53.03920	2.3
55.01851	4.0
55.05259	1.5
55.05503	22.5
57.03420	8.8
57.07062	2.1
61.60598	0.9
65.03916	1.7
67.05495	46.0
69.03410	1.9
69.07054	12.4
70.06727	4.7
71.04971	3.4
79.05478	32.4
81.03403	25.3
81.03848	2.1
81.07043	49.3
82.39600	1.0
83.04964	4.1
83.08605	16.1
85.02887	1.2
85.06522	2.6
91.05466	24.1
93.07024	33.1
94.58813	0.9
95.04952	19.6
95.08592	28.8
97.06501	4.7
97.10157	15.6
104.22017	0.9
105.07023	25.3
106.22271	0.9
107.04955	4.9
107.05514	0.9
107.08578	20.9
109.06501	4.7
109.10133	21.1
111.08081	4.6
115.05396	1.2
117.07003	10.5
119.08571	21.2
121.06480	3.9
121.10131	16.4
123.08051	3.8
123.11694	7.0
125.09621	10.6
128.06194	1.7
129.06999	8.3
131.08545	20.0
131.54366	0.9
133.06471	2.4
133.10118	15.3
135.08014	3.6
135.11681	9.4
137.09602	2.3
141.06975	1.6
143.08519	7.2
145.06465	2.3
145.10088	12.9
147.08047	2.7
147.11665	11.3
149.09624	4.9
149.13203	5.7
151.11092	1.2
153.09113	1.7
155.08507	2.7
157.10112	7.1
159.08028	1.7
159.11649	9.0
161.09618	1.4
161.13242	5.5
163.11162	2.7
163.14818	2.7
165.12735	1.0
167.08577	1.2
169.10153	3.0
171.11732	4.2
173.13235	8.8
175.11162	3.9
175.14818	3.3
177.12747	1.5
183.11684	2.2
185.13231	3.3
187.11206	1.6
187.13281	1.2
187.14708	4.4
187.39528	1.0
189.11163	6.9
193.12196	8.8
195.11607	1.1
197.13220	1.5
199.14758	2.3
201.16376	1.9
211.13315	5.2
211.15045	1.1
225.16467	1.2
227.12732	10.1
227.17896	1.4
233.15356	1.8
243.15958	2.0
243.21072	1.6
247.16788	1.4
259.20605	1.1
261.22116	8.1
267.15851	22.9
270.98151	1.0
273.18521	1.3
273.22168	0.9
279.23105	1.3
283.24011	1.0
285.22113	4.0
287.20139	1.6
299.23718	1.1
301.18033	1.1
301.25229	13.6
303.23096	2.0
313.21442	1.1
317.24731	2.1
335.25748	16.9
359.25824	2.4
375.24896	1.1
417.26279	1.4
417.31601	1.7
421.25793	2.9
435.27426	2.1
435.32590	5.8
449.29205	1.7
453.33527	10.1
454.34351	1.2
471.34543	7.2
509.35953	2.1
527.37238	51.5
528.37402	3.1
545.38293	100.0
546.38275	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	544.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07598	0.3
53.03927	0.4
55.01853	0.8
55.05494	0.5
57.03417	1.6
58.04764	0.4
59.04990	1.1
60.30476	0.4
61.02906	2.0
67.05482	0.8
69.03423	4.9
69.07064	0.5
70.06594	0.4
71.04981	9.3
71.06035	0.9
72.94977	0.4
73.02904	0.9
79.05471	1.7
81.03391	1.7
81.07044	7.4
83.04961	0.4
85.02894	21.3
87.04441	0.9
91.03943	0.8
91.05415	0.5
93.07000	1.9
95.08580	2.7
97.02882	6.9
97.06516	1.7
99.04457	0.9
103.03957	0.5
105.07057	0.4
107.04945	0.5
107.08606	2.0
109.02856	2.2
109.10134	0.5
119.04928	0.5
121.06502	1.3
121.10126	22.7
123.11689	6.7
123.45988	0.5
125.05996	2.5
125.09669	1.0
127.03904	5.0
137.05951	0.6
137.09572	0.8
139.10094	0.6
139.11160	10.6
145.04942	7.5
147.04395	0.6
149.09605	2.1
163.06013	2.9
165.09061	0.7
167.10654	14.9
177.05453	0.7
178.04906	0.6
185.11702	100.0
188.98427	0.5
188.99947	0.4
203.12741	4.5
206.04443	0.6
224.58545	0.4
239.04118	0.4
255.01544	0.5
325.11392	0.6
343.08270	0.4
545.09076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00354	1.6
53.03939	3.3
55.01856	3.5
55.05499	14.6
57.03415	4.3
57.07061	7.0
65.03929	2.5
67.05490	31.8
69.03084	1.9
69.03417	8.1
69.07055	22.9
71.04982	40.7
79.05473	26.0
81.03401	6.6
81.07042	73.8
83.04955	7.6
83.08604	11.0
85.02901	4.9
85.06532	4.4
86.20023	1.6
89.05972	2.9
90.56445	1.6
91.05467	24.2
93.07018	36.2
95.04944	11.2
95.08592	44.2
97.06524	10.7
97.10168	5.4
99.04443	4.2
99.08067	8.8
103.05453	2.4
105.07011	56.5
107.04910	4.1
107.08573	51.2
109.06495	9.5
109.10135	68.5
111.08075	5.0
115.05412	3.9
116.06257	3.2
117.07024	15.4
118.78988	1.8
119.04915	1.9
119.07675	2.2
119.08557	56.6
121.06502	6.1
121.10128	37.3
123.08061	7.8
123.11684	100.0
125.09603	26.6
127.03844	1.9
127.07486	2.2
127.10262	3.8
127.11171	50.7
128.06181	8.7
129.05476	2.6
129.06982	26.4
130.07782	3.3
131.08549	37.8
133.06470	2.4
133.10106	33.8
134.83530	2.1
135.08035	5.0
135.11664	29.8
137.09578	3.7
137.13223	6.6
139.11098	3.1
141.06956	12.7
142.06790	2.1
142.07733	11.3
143.08540	48.6
143.09666	3.3
144.09293	3.4
145.06462	2.3
145.10097	43.7
147.04372	8.3
147.07985	3.6
147.11664	68.7
149.05960	3.5
149.09579	7.1
149.13205	10.9
151.11156	5.0
153.07016	5.4
154.07747	11.1
155.08521	29.3
155.14192	3.4
156.09343	10.1
157.10101	44.1
157.11296	3.5
158.10907	2.6
159.08041	3.6
159.11667	38.4
161.09608	6.3
161.13199	19.2
163.11118	5.3
163.14787	14.2
165.06935	3.2
165.12666	4.5
167.08542	8.3
167.14308	3.5
168.09308	5.1
169.10107	47.3
169.12260	2.4
170.10855	4.3
171.08092	1.8
171.11674	45.3
172.09088	1.6
173.09581	12.2
173.11774	2.6
173.13222	34.1
175.11172	6.0
175.14873	11.4
177.12770	3.5
177.16411	1.9
179.08545	7.0
179.14275	2.0
180.09230	3.4
181.10092	13.3
182.10910	3.0
183.11642	36.3
183.13197	2.7
184.12408	4.1
185.09564	4.3
185.13232	22.3
187.11118	14.0
187.14743	16.1
189.12769	4.2
189.16330	4.3
191.03358	2.5
191.14317	3.6
193.10146	8.3
193.12199	4.1
193.15814	6.9
194.10922	4.0
195.11644	20.6
196.12422	4.3
197.09615	7.7
197.13249	16.1
199.11108	5.8
199.14838	14.2
201.09059	3.3
201.12737	7.2
201.16293	4.6
203.10608	2.8
203.14244	2.5
203.17917	2.8
207.11679	8.4
208.12338	3.0
209.13225	15.7
209.15350	5.9
210.14072	2.3
211.14771	11.8
213.12721	5.9
213.16347	8.7
215.10683	13.2
215.14267	4.7
215.17918	10.4
217.12257	7.4
217.15880	6.8
217.19585	2.6
219.17406	5.9
221.13231	6.3
221.19032	2.5
222.13956	3.3
223.11166	3.3
223.14798	10.3
225.12679	4.1
225.16371	6.0
227.14268	2.9
227.17952	3.4
229.12228	5.8
229.15900	4.7
231.13751	5.6
231.17436	6.7
232.12567	1.9
233.11446	2.5
233.13440	2.8
233.18944	24.3
235.14824	5.9
237.16318	23.1
239.14240	7.5
239.17889	8.1
243.13745	4.8
243.17491	5.6
245.19073	3.6
247.14981	3.8
249.16331	7.1
251.17845	4.4
253.15857	3.6
255.13651	3.0
255.17424	6.6
257.15311	10.6
257.18951	2.6
259.13235	2.1
259.20602	2.9
263.17926	4.1
265.15814	5.3
267.13483	2.2
267.17520	5.2
271.20642	2.1
274.17072	1.8
275.16232	3.3
277.19400	4.3
279.17511	2.2
279.21066	4.2
281.19141	2.9
283.16974	19.9
285.14926	2.8
295.16861	8.6
295.20480	5.0
297.03946	2.2
299.19913	2.1
301.17844	10.7
305.22739	3.1
313.17722	11.2
319.20462	2.6
323.19974	2.1
333.25735	17.2
349.25156	2.3
351.26773	25.6
359.90631	2.1
361.25223	4.7
363.23145	2.0
375.26880	3.6
377.24487	3.3
379.26288	14.1
381.24115	3.6
385.28796	3.9
395.25684	6.3
397.27414	7.9
403.29880	25.8
405.31473	8.2
413.28113	2.8
421.25201	2.2
421.30942	72.7
423.32303	6.4
431.29321	19.6
439.32016	20.4
447.27399	6.7
449.30463	64.7
467.31512	80.4
485.32642	33.8
527.33368	7.2
545.34863	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	544.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00315	0.2
50.58751	0.2
53.03939	0.9
53.41951	0.2
54.19102	0.2
55.01858	0.3
57.03432	0.3
58.11110	0.2
61.02910	0.5
61.07608	0.2
61.88568	0.3
69.03430	1.4
70.06608	0.3
71.61542	0.5
71.96528	0.2
73.02887	0.3
81.03399	0.5
83.04948	0.2
85.02901	3.0
91.05468	2.9
93.07031	4.1
95.04972	0.9
97.02862	1.5
98.97546	0.4
100.35859	0.2
103.05460	2.8
105.04500	0.3
107.04960	0.5
109.02906	0.4
111.70423	0.3
116.98618	0.3
118.05325	0.2
119.01906	0.3
121.06495	100.0
122.06835	0.7
123.04412	0.4
127.03894	0.9
130.08594	0.3
133.02769	0.3
136.06157	1.6
137.05933	1.1
138.09129	32.6
139.03818	0.2
145.03552	0.2
145.04942	1.0
147.04396	0.8
149.05965	0.5
154.08614	0.6
157.03453	0.3
160.07607	0.5
161.02936	0.6
163.02658	0.2
163.03914	0.8
165.05447	0.3
167.07063	1.5
175.04414	0.2
177.05495	0.7
181.08539	0.5
197.08095	0.5
205.21173	0.2
209.08049	0.7
221.05023	0.5
227.09129	0.6
244.04294	0.5
245.05029	0.3
249.05838	0.3
267.07254	0.4
268.10452	0.3
273.60889	0.3
279.93332	0.2
287.58875	0.2
319.10013	0.4
411.10852	0.3
429.12128	0.4
528.98309	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3671
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
50.39991	0.7
53.03937	1.5
54.13788	0.6
55.01869	2.7
55.05502	12.5
57.03434	3.5
57.07063	1.2
59.05001	0.8
65.03947	1.0
67.05495	20.6
69.03426	2.3
69.07065	6.0
71.04980	1.6
71.08602	0.5
73.56716	0.6
79.05482	13.8
81.03404	4.6
81.07043	17.8
83.04977	3.8
83.08611	7.2
85.02882	0.8
85.06541	1.1
86.77173	0.5
91.05469	14.0
93.07027	13.4
95.04969	4.9
95.08594	10.4
97.06530	1.6
97.10159	6.8
98.20696	1.0
99.08086	1.7
103.05501	0.7
105.07016	14.1
105.07668	1.0
107.04955	2.1
107.08578	9.2
109.06530	1.5
109.10130	8.7
111.08071	1.6
115.05431	1.0
117.07010	8.0
119.08567	12.3
121.06480	1.5
121.10114	5.7
123.08053	2.0
123.11689	1.3
125.09620	5.2
128.06209	2.2
129.06981	8.4
130.07832	1.0
131.08545	12.2
133.06485	1.3
133.10109	7.1
135.08052	4.5
135.11665	3.0
137.09592	1.1
141.06923	3.1
142.07773	1.8
143.08546	7.3
144.09352	0.6
145.06483	2.7
145.10114	10.9
147.08061	1.3
147.11674	5.5
149.09627	2.4
149.13300	1.0
151.00244	0.5
151.11180	0.7
152.59108	0.6
153.06950	0.5
155.08530	6.1
156.09335	1.3
157.06500	0.9
157.10092	9.5
159.08067	2.6
159.11682	8.0
161.09633	1.5
161.13203	2.8
163.11179	2.4
163.14819	0.6
167.08588	2.2
168.09300	0.8
169.10100	6.6
170.10907	0.7
171.08080	1.0
171.11668	8.1
173.09607	2.4
173.13249	4.4
175.11185	2.2
175.14847	1.6
179.08571	1.0
179.14278	0.6
181.10107	3.6
182.10915	0.9
183.11638	5.8
185.09679	1.8
185.13217	5.7
187.11218	1.8
187.13164	0.5
187.14828	2.3
189.11215	1.6
189.12724	0.8
189.53943	0.7
191.14313	0.6
193.10284	1.2
193.12286	2.2
195.10162	0.6
195.11635	3.3
197.09685	0.7
197.13248	3.7
199.11201	1.3
199.14801	3.5
201.12669	1.0
201.16360	1.0
207.11720	1.4
209.13239	2.9
211.11253	0.7
211.14851	2.1
213.12794	1.4
213.16466	1.5
215.14386	1.3
221.13278	1.4
223.14867	2.0
225.12810	0.6
225.16451	0.8
227.12813	2.1
229.14267	0.9
231.21046	0.9
233.15404	0.7
235.14853	1.1
237.16229	1.1
241.15875	1.0
241.19522	0.9
245.15556	0.6
247.14789	0.6
249.16583	0.7
251.18065	1.1
255.17529	0.8
257.19058	0.9
259.20502	4.8
267.15768	3.5
271.20233	0.6
277.21667	0.6
279.21170	1.0
283.20566	1.8
285.70221	0.6
297.18726	0.6
297.22049	1.7
299.20316	1.1
299.23764	3.7
301.21640	0.9
307.20444	0.7
315.23230	1.2
321.22086	1.6
325.21725	0.9
327.23273	0.8
333.24341	1.3
339.23355	1.3
341.21149	0.6
341.24780	0.6
349.21878	0.7
353.24640	0.7
357.24347	0.8
367.22659	1.0
371.25916	1.3
381.24396	1.0
385.23843	1.7
405.31433	0.8
415.29907	1.7
419.29498	1.0
421.25650	1.0
423.32825	1.7
427.24948	3.0
433.30960	5.5
435.27728	0.8
445.25375	0.8
451.32034	9.5
469.33279	4.5
487.34262	1.4
497.36075	0.6
499.34091	0.9
507.35022	2.1
515.37201	2.3
525.35706	20.6
543.36798	100.0
544.37372	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	543.3674
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03928	1.5
55.01859	2.1
55.05506	12.8
56.86863	0.6
57.03431	3.2
57.07058	1.4
59.04990	0.9
65.03918	1.0
67.05495	19.7
69.03427	1.2
69.06701	0.8
69.07058	7.6
69.59455	4.6
70.65717	0.6
71.04980	1.2
79.05479	17.5
81.03392	4.8
81.07042	17.3
83.04970	2.8
83.08605	7.5
83.54488	0.6
84.05343	0.6
85.02898	1.0
85.06518	1.1
91.05468	14.6
93.07029	13.9
93.07608	0.8
95.04953	5.1
95.08597	10.9
97.06522	2.0
97.10165	6.1
105.07017	13.1
107.04967	2.3
107.08582	9.9
109.06499	2.1
109.10147	7.6
111.08074	2.1
115.00644	0.6
115.05445	1.2
117.07000	8.8
119.04916	0.7
119.08566	11.7
121.06503	2.4
121.10123	4.7
123.08029	1.8
123.11673	1.8
125.09593	3.9
128.06203	2.4
129.06992	8.5
131.08554	13.4
133.06465	1.1
133.10115	8.9
135.08058	2.7
135.11641	4.4
137.09622	1.2
141.06999	2.6
142.07784	2.1
143.08551	8.7
145.06491	2.2
145.10100	11.8
147.08008	1.8
147.11658	6.2
149.09595	1.1
149.13255	2.0
153.12817	0.7
155.08545	5.0
156.09346	1.2
157.06459	0.8
157.10124	8.2
159.08018	3.1
159.11696	9.0
161.09659	1.3
161.13188	2.9
163.11156	1.1
163.14941	0.6
164.67316	0.8
165.07016	1.1
167.08585	2.3
169.10112	6.5
170.10820	0.7
171.08018	1.2
171.11646	6.8
173.09625	2.1
173.13199	4.8
175.11169	2.2
175.14809	1.7
181.10074	4.1
183.11719	4.6
185.09625	1.6
185.13239	5.3
187.11200	2.2
187.14841	1.9
189.11226	1.8
189.12764	1.0
193.10214	1.1
193.12286	2.0
194.10907	0.8
195.11714	3.2
197.09641	1.1
197.13194	3.9
197.73999	0.6
199.11154	1.0
199.13197	0.7
199.14775	3.1
201.12776	1.5
201.16469	1.5
203.14328	1.0
207.11685	1.2
209.13295	2.5
211.14824	2.8
213.12775	1.4
213.16414	1.2
213.68698	0.6
221.13315	1.1
223.14856	2.2
225.16391	1.5
227.12738	2.0
229.14206	1.3
237.16385	1.5
239.17981	1.0
241.19562	1.0
247.16913	0.7
253.30963	0.6
257.18961	1.0
259.20615	3.0
267.15802	3.0
271.16730	0.7
275.20184	0.8
281.22412	1.0
283.20590	1.6
297.22162	2.1
299.23596	4.5
311.20279	0.8
313.21631	1.1
315.23111	1.1
321.22070	0.9
325.21698	1.5
327.23407	1.0
333.24219	1.4
337.21701	0.7
345.68982	0.6
349.24554	0.6
353.24664	1.0
357.24112	1.1
415.30136	1.7
419.28677	0.7
421.25797	1.2
423.32584	0.8
433.30939	6.4
435.27698	0.9
451.32040	8.7
469.33118	4.9
487.34671	0.8
507.34497	1.4
515.37170	1.8
525.35742	21.4
543.36761	100.0
544.37421	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	543.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37071	0.6
53.03928	1.7
55.01860	2.7
55.05504	13.4
57.03423	2.8
57.07064	0.6
59.04992	1.2
60.67744	0.5
67.05498	23.9
69.03423	1.4
69.07063	7.1
70.68129	1.9
71.04966	1.2
79.05076	0.5
79.05482	14.7
81.03399	7.4
81.07046	18.1
83.04969	2.7
83.08608	6.1
85.02925	1.0
85.06528	1.5
91.04890	0.8
91.05467	16.2
93.07034	14.7
95.04966	6.1
95.08004	0.5
95.08596	12.6
97.06552	2.1
97.10151	6.9
103.05491	0.8
105.07018	14.3
107.04971	1.9
107.08587	10.9
109.06507	2.2
109.10154	8.7
111.04433	0.7
111.08078	1.8
115.05455	1.5
117.07005	7.9
119.08561	11.1
119.09341	0.9
121.06502	1.7
121.10116	5.9
123.08044	2.0
123.11694	1.9
125.09614	5.2
128.06235	1.4
129.06990	8.5
131.08549	14.4
131.09499	1.0
133.06462	1.7
133.10107	8.8
135.08041	2.7
135.11684	2.8
137.09694	0.9
141.06981	3.6
142.07770	1.9
143.08545	9.5
145.06497	2.2
145.10110	12.8
147.08043	1.7
147.11671	6.5
149.09615	1.5
149.13177	1.5
151.11197	1.1
155.08537	5.8
156.09395	0.8
157.10107	7.6
159.08035	1.9
159.11667	7.8
161.09634	1.7
161.13263	2.4
163.11157	1.0
167.08585	2.1
169.10117	5.3
171.08133	1.3
171.11662	7.9
173.09657	1.9
173.13225	5.0
175.11223	1.9
175.14909	1.2
181.10144	3.2
183.11688	4.5
185.09613	1.8
185.13246	5.8
187.11157	1.2
187.14842	2.8
189.11281	2.5
189.12805	1.0
193.10172	1.1
193.12256	2.0
195.11723	3.1
197.13252	3.4
199.11346	0.7
199.14767	3.5
201.12846	0.7
201.16412	1.1
207.11684	1.4
209.13287	2.2
211.11272	0.9
211.13084	1.3
211.14859	2.3
213.12770	1.3
213.16405	1.6
219.11714	0.7
221.13329	1.1
223.14886	2.1
225.12811	0.8
225.16371	1.1
227.12820	1.8
229.14227	0.9
235.14890	1.1
237.16353	1.1
239.17969	0.9
241.19553	0.9
247.14696	0.9
247.16966	1.0
249.16464	1.1
259.20471	3.0
265.19626	0.8
267.15875	1.4
269.18756	0.7
271.20316	0.7
283.20569	1.8
285.22214	0.9
295.20569	0.9
297.22040	2.9
299.23654	3.8
301.21451	1.2
313.21841	0.8
315.23196	0.8
325.21552	1.1
333.24380	1.3
339.23080	1.0
341.25128	0.7
353.24918	1.2
357.23874	0.9
382.57126	0.9
405.31729	0.7
415.29941	1.5
421.26251	0.8
423.32632	2.4
433.30923	6.3
451.32001	9.4
469.33102	5.2
473.63834	0.7
487.34198	0.8
489.33536	0.8
507.34665	1.7
515.37268	1.8
525.35693	22.1
543.36761	100.0
544.37012	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59373	0.4
71.61200	0.8
86.99360	0.4
101.00828	0.7
119.01904	1.3
131.01982	0.4
143.01976	0.5
157.03448	1.5
161.02930	0.7
173.02905	0.8
175.04465	0.6
185.02924	0.6
201.01727	0.5
205.05602	0.7
215.97343	0.5
223.06596	1.3
241.07716	0.6
245.05074	1.1
319.08817	0.7
321.06699	1.4
361.00238	0.5
363.06592	0.9
381.07974	10.9
409.05939	0.5
409.10425	2.7
463.93085	0.5
543.13141	100.0
544.13416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29578	0.4
53.03933	1.4
55.01877	2.9
55.05504	13.7
57.03425	3.5
57.07058	1.1
57.60110	0.4
61.52331	0.4
65.03925	1.1
67.05495	24.0
69.03410	1.9
69.06712	0.6
69.07059	8.2
69.37019	0.4
71.04979	2.0
77.03912	0.6
79.05482	17.7
81.03407	6.8
81.07044	19.8
83.04967	3.4
83.08608	8.6
85.02875	1.2
85.06522	1.2
85.83813	0.4
88.07609	0.4
91.04893	0.8
91.05467	17.2
93.07032	14.6
95.04958	5.9
95.08596	13.1
97.06503	2.0
97.10153	8.0
98.21492	1.2
99.08083	1.1
103.05432	0.6
105.07016	18.3
107.04964	2.2
107.08582	10.1
109.06470	2.3
109.10145	8.6
111.08077	1.9
115.05442	1.1
117.07005	9.3
119.08565	13.9
121.06523	2.7
121.10130	5.8
123.08061	1.5
123.11686	2.4
125.09593	5.3
127.07500	0.5
128.06206	1.8
128.07024	0.8
129.06981	8.6
129.57463	0.4
130.07831	1.3
130.19333	0.4
131.05005	0.7
131.08554	14.1
133.06487	1.8
133.09102	0.5
133.10110	9.0
135.08028	2.8
135.11688	3.4
137.09630	1.5
139.11145	0.5
140.07124	0.4
141.06929	3.2
142.07765	1.9
142.08745	0.6
143.08540	9.1
145.06470	2.1
145.10098	13.1
147.08002	1.9
147.11665	6.1
149.06001	1.1
149.09564	1.9
149.13257	1.5
151.11163	0.9
153.07031	0.6
153.09149	0.6
154.07776	0.7
155.08534	5.3
156.09291	1.0
157.06474	1.0
157.10088	9.3
157.11290	0.7
159.08052	2.5
159.11670	8.1
161.09624	1.6
161.13240	2.9
163.11211	1.7
165.07059	0.9
167.08556	2.1
168.09328	0.8
169.10110	6.5
170.10931	0.5
171.08035	1.5
171.11662	8.2
173.09573	2.4
173.11775	0.9
173.13223	6.1
175.11247	2.1
175.14781	1.2
177.12769	0.5
179.08510	0.9
179.14220	0.6
181.10092	3.4
183.08058	0.8
183.11647	6.5
185.09630	2.0
185.13234	5.7
187.11208	1.7
187.13240	0.6
187.14729	2.2
188.51683	0.4
189.11232	2.6
189.12773	0.8
193.10191	1.6
193.12209	2.2
195.11667	3.5
197.09639	0.6
197.13290	3.9
199.11201	1.4
199.14798	3.7
201.12727	1.2
201.16415	1.2
203.14355	0.5
205.10117	0.7
207.11751	1.0
209.13257	2.8
211.11229	0.6
211.13058	0.8
211.14941	2.0
213.12785	1.2
213.16454	1.2
215.14305	0.9
217.15967	0.8
219.11813	0.6
221.13271	1.7
223.14787	1.7
225.16371	1.1
227.12553	2.1
229.14322	1.3
233.13374	0.7
233.15437	0.7
235.14851	0.7
237.16377	1.6
239.17964	0.8
241.15836	0.7
241.19542	1.6
247.14664	0.5
249.16379	0.5
257.15265	0.5
257.19009	0.5
259.17032	0.8
259.20615	4.2
261.18582	0.5
265.19662	0.8
267.15668	2.9
275.20062	0.9
277.21732	0.8
283.17371	0.4
283.20486	2.2
289.21826	0.5
297.21988	2.3
299.20316	0.6
299.23563	4.6
307.20801	0.5
311.20090	0.7
311.23724	0.5
313.21680	1.0
315.23236	1.3
325.21768	0.9
327.23169	0.7
329.20990	0.6
331.22562	0.5
333.24258	1.8
335.23877	0.6
339.23154	1.6
341.10458	0.4
342.10669	0.6
343.22852	0.4
353.25201	0.9
357.24338	1.6
363.22937	0.6
371.25809	1.0
415.30188	1.7
417.26865	0.5
421.25623	0.8
423.32635	1.6
431.27960	0.8
433.30997	6.2
451.32059	7.6
469.33191	5.0
471.31436	0.6
487.34082	0.8
507.34830	2.0
513.35504	0.5
515.37463	2.2
525.35718	19.7
543.36774	100.0
544.37091	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01859	0.3
55.05507	1.6
56.05013	0.4
56.80458	0.3
57.03419	0.4
57.07066	0.4
60.04520	5.1
65.03927	0.4
67.05502	2.5
69.03421	11.9
69.07069	1.7
70.75166	0.9
71.04978	0.6
75.40485	0.3
79.05478	2.4
80.04992	0.3
80.05820	0.3
81.03400	2.3
81.07047	5.0
82.07380	0.3
83.04972	1.1
83.08617	0.9
85.02888	0.8
85.06554	0.5
91.05463	3.5
93.07034	4.3
95.04926	1.4
95.08592	6.1
96.04484	0.6
96.08931	0.4
97.02876	4.8
97.06507	0.8
97.10132	0.4
99.04449	4.3
105.07018	5.6
106.07384	0.4
107.04923	0.7
107.08579	5.2
109.02866	5.1
109.06487	0.7
109.10138	3.5
110.10490	0.4
110.40380	0.3
111.08066	0.5
115.03937	0.8
117.06975	1.4
119.04950	0.4
119.08570	7.4
121.06482	1.2
121.10128	4.3
123.04448	0.3
123.08062	0.8
123.11700	1.7
125.05979	0.5
125.09624	0.3
126.05476	0.5
127.03900	3.4
128.06241	0.4
129.06984	0.8
131.08560	3.4
133.06494	0.6
133.10103	3.9
135.08034	0.7
135.11691	2.0
137.09592	0.4
137.13206	0.3
140.07054	0.6
141.06953	0.4
142.07745	0.8
143.08524	1.9
144.09253	0.3
145.06442	0.3
145.10107	4.6
147.08104	0.8
147.11665	3.5
149.09618	0.7
149.13254	1.1
151.11140	0.3
153.09056	0.3
155.08524	0.8
156.09308	0.3
157.10101	2.1
159.08054	0.7
159.11641	2.7
161.09639	0.8
161.13222	1.7
163.07602	0.4
163.11278	0.4
163.14778	2.1
165.09137	0.5
169.10095	0.6
170.10802	0.4
171.11661	1.5
173.09627	0.7
173.13197	2.7
175.11282	0.4
175.14790	2.4
177.12662	0.3
177.16356	2.3
181.10112	0.5
183.11671	0.9
185.09569	0.6
185.13165	1.3
187.11217	0.6
187.14813	3.7
189.12744	0.6
189.16357	6.3
191.14268	0.4
191.17937	1.2
195.11606	0.4
197.13310	0.5
199.11205	0.6
199.14836	0.5
201.12709	0.9
201.16373	2.5
203.14388	0.5
203.17920	2.3
207.13785	0.3
209.13408	0.3
211.11169	0.5
213.12724	0.8
213.16374	0.5
213.18410	0.3
215.14221	0.5
215.17950	0.9
217.12219	0.4
217.15881	0.3
217.19574	0.3
219.13942	0.3
227.17807	0.3
228.13632	0.3
229.19450	0.4
231.13745	0.5
239.17992	0.3
247.13110	0.3
281.53906	0.3
290.17419	0.4
391.29956	0.3
435.28476	0.4
437.30618	1.0
444.27963	0.4
478.19595	0.3
478.33597	0.4
480.34589	0.4
483.31070	0.4
498.35742	16.6
499.36053	0.3
524.33868	0.5
542.34723	100.0
543.35114	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	541.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	0.6
53.03934	1.9
55.01860	1.7
55.05504	11.2
57.03424	2.7
57.07063	6.2
58.07408	0.6
61.18699	0.6
63.18773	0.6
63.55758	0.6
65.03942	1.1
67.05498	22.8
69.06705	1.0
69.07056	8.8
70.06583	2.6
71.05017	1.6
71.08612	2.9
79.05484	23.9
81.03400	1.1
81.06571	1.2
81.07045	21.3
83.04968	2.7
83.08607	5.5
85.06514	0.8
85.10155	1.3
88.07632	3.9
91.05048	0.4
91.05467	18.0
93.07031	18.8
95.04967	4.6
95.08032	1.3
95.08597	15.0
97.06531	2.3
97.10147	4.5
99.08123	1.2
102.09191	3.6
103.05448	0.8
105.07013	16.1
105.07671	1.3
107.04948	1.2
107.08585	8.6
109.06448	1.3
109.10139	5.6
111.08086	1.4
115.05387	0.9
117.07017	8.0
119.08564	10.5
121.10114	4.6
123.08054	1.1
123.11731	0.9
125.09640	1.2
127.07510	1.1
128.06224	2.2
129.06990	9.7
131.08548	13.8
133.10095	5.8
135.08058	1.0
135.11693	4.4
137.13268	0.8
141.06958	4.0
142.07799	1.9
143.08533	14.5
144.06512	0.8
144.09402	0.7
145.10107	12.9
147.11655	6.2
149.13290	2.0
155.08536	10.1
156.09322	1.7
157.10097	8.4
159.08069	0.7
159.11641	5.7
161.09644	1.3
161.13268	2.8
163.14894	1.0
165.06903	0.7
167.08586	2.6
169.10097	9.4
171.11662	10.0
173.13321	2.6
175.14784	0.7
179.08598	1.3
180.09273	1.1
181.10114	5.1
183.11641	6.4
185.13196	4.0
187.14877	2.0
187.74922	0.8
188.54544	0.9
189.12741	1.7
193.10199	1.4
195.11670	5.3
197.13232	4.8
199.14793	4.4
201.16408	1.7
207.11853	1.6
207.13820	3.4
209.11264	0.7
209.13254	2.4
211.14714	3.4
213.12862	0.7
213.16400	2.7
215.17914	1.0
221.13239	1.6
223.14833	2.0
225.16417	2.0
227.18138	1.1
235.14810	1.5
237.16344	1.6
239.18037	2.0
239.24123	0.7
243.21158	1.1
251.18062	1.1
255.17445	0.9
256.26343	6.6
257.26682	4.1
261.22131	2.0
279.21027	1.0
281.17523	2.3
283.26480	1.0
284.29620	1.3
285.29883	1.3
297.22247	1.6
311.29214	4.6
312.29736	5.4
315.23193	0.8
317.24747	3.7
323.23926	1.2
325.25436	1.5
339.26654	0.8
341.24905	1.0
351.26700	1.1
353.24820	1.0
365.24710	1.5
369.28033	0.8
379.26157	1.1
431.33221	4.3
449.34152	12.0
467.34991	4.0
485.36270	2.8
487.35782	1.2
505.36893	2.5
523.37854	11.1
540.53265	6.1
541.38898	100.0
541.53308	27.5
542.39429	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	0.7
51.02361	1.1
53.03933	4.4
55.01859	2.7
55.05497	19.8
57.03426	2.2
57.07059	3.0
59.04974	0.4
65.03931	3.3
67.05488	57.0
68.05822	0.3
69.03408	1.7
69.07052	12.5
70.06564	1.4
70.87553	0.8
70.87903	0.4
71.04973	1.8
71.08607	0.9
73.06534	1.2
73.41290	0.4
77.03918	1.2
78.04688	0.4
79.05474	70.0
81.03402	6.1
81.07037	49.8
83.04962	8.9
83.08604	7.3
83.15302	0.4
85.02905	0.4
85.06517	1.9
85.10168	0.4
88.07602	1.5
91.05457	48.3
93.07021	65.5
94.07368	0.4
95.04946	18.7
95.08585	36.1
97.02883	0.8
97.06501	3.6
97.10133	3.2
99.08073	0.9
102.09144	0.9
103.05424	0.9
105.04518	2.2
105.07005	34.2
107.04935	4.7
107.08568	23.5
109.06485	4.4
109.10125	10.0
111.04413	0.4
111.08067	1.7
113.09647	0.6
115.05437	1.3
117.06990	9.4
119.08551	21.7
120.09792	0.4
121.06488	1.7
121.10112	14.5
123.08031	3.4
123.11693	1.7
125.09647	0.5
127.07556	1.1
128.06207	1.7
129.06979	10.2
130.07767	0.8
131.08533	8.2
133.06499	0.9
133.10101	11.1
133.11055	0.6
135.08046	0.6
135.11665	8.2
137.09625	0.8
137.13211	0.6
141.07021	0.7
141.09074	0.7
142.07698	0.7
143.08519	6.8
145.10089	9.3
147.08040	1.5
147.11650	25.2
149.13229	3.1
151.11183	0.5
155.08536	1.1
156.09325	0.6
157.10135	2.3
159.11670	4.0
161.09624	3.3
161.13211	9.1
163.14835	1.1
165.12778	0.5
169.10141	1.6
171.11650	19.0
173.13181	2.9
175.14786	0.7
177.16344	0.4
179.14284	1.0
181.10112	0.4
183.11703	1.3
185.13245	1.3
187.14810	1.3
189.12708	8.4
195.11673	0.8
197.13216	1.1
199.14772	0.8
207.13748	21.8
213.16432	0.5
225.14775	1.7
243.21120	0.9
256.26254	2.8
257.26639	1.6
259.20496	0.8
261.22144	3.8
281.17572	1.2
283.26297	0.9
284.29568	0.8
287.69974	0.4
311.29373	2.0
312.29559	2.4
317.24698	1.9
431.33170	0.5
449.33920	1.9
467.35150	1.0
523.37598	2.1
540.53070	2.2
541.38776	100.0
541.53558	9.7
542.38824	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.5
51.02364	1.0
53.03936	4.3
55.01857	3.2
55.05500	20.0
57.03429	1.9
57.07070	3.7
59.05005	0.7
65.03925	4.6
67.05492	59.1
69.03407	1.8
69.07059	13.5
69.07441	0.7
70.24009	0.3
70.43259	1.1
71.04990	2.6
71.08607	1.0
73.06538	1.0
77.03925	1.1
78.04697	0.4
79.05478	73.8
81.03406	6.5
81.07041	51.5
83.04965	9.3
83.08609	6.4
85.06523	1.9
85.10169	0.6
91.05463	51.0
93.07027	66.0
95.04954	17.8
95.08588	33.1
95.69424	0.4
97.02822	0.8
97.06522	5.1
97.10154	3.6
99.08063	1.1
103.05441	1.4
105.04504	1.7
105.07013	36.8
107.04943	5.2
107.08575	23.2
109.06489	4.8
109.10125	8.8
110.16736	0.4
111.08066	1.5
111.11666	0.4
115.05471	1.2
117.06991	9.7
119.08556	22.6
121.06486	1.9
121.10120	14.4
123.08035	3.9
123.11675	1.9
125.09515	0.7
127.07564	0.8
128.06219	1.9
129.06981	11.3
130.07759	1.2
131.08554	9.1
133.06421	1.2
133.10109	10.6
135.08064	0.8
135.11671	8.0
137.09610	0.8
137.13216	0.7
141.06931	0.9
143.08525	6.9
145.10097	11.0
145.11255	0.6
147.08014	1.7
147.11661	25.6
149.13228	2.7
151.11113	0.5
155.08557	1.2
156.09373	0.6
157.10086	1.9
157.96849	0.4
159.11661	4.0
161.09564	3.5
161.13226	9.9
163.11087	0.7
163.14783	0.8
165.09169	0.8
169.10091	2.4
171.11659	17.6
173.13242	2.7
175.14774	0.8
177.12712	1.0
179.14256	0.9
181.10104	0.6
183.11688	1.1
185.13257	1.3
187.14816	1.4
189.12717	7.9
195.11624	0.8
197.13251	1.0
199.14880	0.6
207.13762	21.8
225.14719	2.6
227.17923	0.6
243.21001	0.7
256.26379	0.7
259.16641	0.4
261.22159	3.1
281.17401	1.3
297.22009	0.5
315.23065	0.5
317.24747	1.6
335.26053	0.5
431.33023	0.7
449.34125	1.6
467.35379	1.0
485.36349	0.7
498.74200	0.5
523.37762	1.4
540.53223	0.7
541.38843	100.0
542.39587	2.1
547.15454	0.5
549.82184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10227	0.3
53.03926	1.8
55.01870	3.1
55.05501	15.8
57.03426	2.7
57.07059	1.2
59.04982	0.5
65.03934	1.0
67.05495	17.9
67.57041	0.4
69.03419	1.4
69.07050	7.5
70.77879	0.8
70.78237	0.6
71.04979	1.3
71.08630	0.5
72.33339	0.5
79.05481	13.8
80.25225	0.3
81.03400	5.4
81.07042	16.5
82.93999	0.4
83.04965	3.2
83.08602	7.3
85.02900	0.6
85.06529	1.5
86.34542	0.4
91.05462	13.3
93.07024	12.9
95.04950	6.5
95.08589	8.9
97.02864	0.5
97.06481	2.1
97.10146	10.0
99.08058	1.0
105.07010	12.6
107.04919	2.6
107.08570	8.6
109.06510	2.2
109.10135	6.3
110.16869	0.4
111.08064	2.1
115.05423	1.3
117.06995	8.2
119.04934	0.9
119.08563	9.9
121.06477	1.5
121.10115	4.1
123.08044	2.1
123.11685	1.1
125.09612	8.5
128.06183	3.0
129.06982	8.7
129.07889	0.7
130.07753	1.1
131.08545	10.2
133.06462	1.3
133.10103	5.9
135.08005	2.9
135.11667	1.6
137.09583	1.1
141.06955	3.7
142.07750	1.9
143.08528	10.4
144.09291	0.6
145.06453	1.9
145.10100	9.0
147.04413	1.5
147.08014	1.4
147.11656	3.2
148.04730	0.5
149.05865	0.4
149.09615	1.3
149.13184	0.7
153.06990	1.3
153.09053	0.8
153.12749	0.8
154.07729	1.4
155.08517	6.9
156.09308	1.4
157.06424	0.9
157.10095	8.4
159.08017	2.3
159.11665	5.3
161.09631	1.2
161.13271	1.4
163.11150	1.9
165.07036	1.0
166.07784	0.8
167.08543	2.9
168.09346	1.0
169.10106	7.8
171.08047	1.7
171.10269	0.7
171.11674	6.1
172.08551	0.5
173.09651	2.0
173.11871	0.8
173.13268	2.7
175.11098	1.0
175.14815	0.5
178.07748	0.6
179.08557	1.3
181.10078	4.4
182.10822	0.9
183.08109	0.8
183.11667	7.4
185.09558	2.2
185.13239	5.0
187.11188	1.5
187.14812	1.1
189.11205	4.9
189.12706	0.8
191.08551	0.5
192.09323	0.5
193.10107	2.6
193.12088	1.0
194.10942	0.6
195.11652	5.1
197.09573	1.5
197.13193	4.0
199.11154	1.1
199.14807	2.9
201.12767	0.7
201.16365	0.8
205.10115	0.8
207.11684	2.1
209.13251	4.1
211.11188	1.0
211.14795	2.3
213.12714	1.1
213.16357	0.8
219.11697	0.9
219.13768	0.5
221.13229	1.5
223.11124	0.5
223.14832	1.7
225.12752	0.9
225.16434	0.6
227.12682	6.7
233.13193	0.8
235.14738	1.2
237.16266	1.1
239.14204	0.5
247.14882	0.6
249.18623	0.7
255.17493	0.6
257.15472	0.6
257.18991	1.1
259.17017	0.6
259.20599	0.9
263.17877	0.6
267.15640	0.6
269.18939	0.5
271.17117	0.6
275.17429	0.5
275.20056	2.0
277.19595	0.8
279.21112	1.2
281.18942	1.6
285.18546	0.6
287.16760	0.4
295.20374	2.0
297.18762	0.8
297.22061	6.8
299.20090	1.2
307.20667	0.6
313.21606	0.9
315.19815	0.5
315.23325	1.1
319.20544	0.6
321.22177	0.5
323.20139	1.3
325.21500	0.9
329.21133	0.5
337.21384	0.8
339.23346	0.6
351.23267	1.0
353.24750	1.0
355.22678	0.5
367.22427	0.6
403.29953	1.0
413.28397	1.3
421.30981	1.9
431.29346	5.5
443.27985	1.6
449.30432	8.6
459.27310	0.5
467.31598	4.4
469.30713	0.5
485.32541	2.3
505.32928	1.2
513.35742	1.0
523.34045	12.6
541.35168	100.0
542.36139	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	540.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.4
57.07066	21.4
57.10779	0.8
58.06576	1.5
58.36659	0.7
60.95594	0.7
61.02907	0.9
67.05492	5.5
68.07161	0.7
69.03432	0.7
69.07056	9.6
70.06579	13.4
71.08614	11.8
71.23096	1.4
79.05465	2.9
81.07038	11.6
83.08610	4.7
85.06537	0.8
85.10170	5.3
88.07616	17.9
89.06020	5.7
91.05405	3.5
93.07027	6.4
95.04934	0.9
95.08031	1.4
95.08586	12.1
96.80630	0.6
97.10168	4.6
102.09157	12.7
103.03918	1.9
104.05279	0.6
105.07011	5.8
107.08575	7.8
109.06494	0.8
109.10144	6.0
111.11700	2.7
117.07005	0.7
119.08560	5.5
121.10111	4.5
121.11436	0.7
123.11692	2.5
131.08574	3.8
133.08592	3.7
133.10091	4.6
137.13219	1.2
143.08540	1.5
144.98689	0.8
145.10080	5.4
147.11630	5.4
149.13246	2.5
157.10094	1.5
157.27715	0.8
159.11647	5.1
161.13216	2.8
163.14851	1.7
163.42278	0.8
171.11708	2.2
173.13268	2.9
175.14783	1.8
177.11237	1.2
177.16350	1.0
179.10655	1.4
180.88794	0.7
185.13174	1.7
187.14745	2.3
189.16402	1.5
199.14864	1.7
201.16447	0.8
203.18053	1.2
205.12218	4.6
209.13228	1.0
233.15138	1.0
247.16907	1.5
256.26306	36.6
274.27365	2.4
283.26239	8.9
284.29428	9.8
287.20261	0.9
301.05960	1.7
301.21658	2.1
311.29395	34.9
327.20117	3.3
341.31995	1.6
343.33527	7.9
367.33719	2.2
427.35583	2.2
441.37189	24.8
445.36963	1.8
459.38229	23.8
477.39291	2.3
540.53412	100.0
547.83356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01862	5.8
55.05503	19.4
57.03426	11.1
57.06820	2.0
57.07069	30.8
65.03933	2.3
67.05493	35.9
69.03410	3.4
69.07065	18.8
71.04976	4.5
71.08623	18.9
71.63168	1.9
74.79670	1.3
76.89291	1.2
79.05051	2.0
79.05479	28.5
81.03387	5.5
81.07047	36.2
83.01341	1.7
83.04967	7.3
83.08604	18.0
85.02856	2.3
85.06535	2.4
85.10169	11.4
87.04453	1.5
89.05987	2.3
91.05469	22.2
93.07030	33.9
95.04940	7.8
95.08593	35.8
97.02877	2.7
97.06499	5.3
97.10168	8.2
99.04456	1.7
103.05445	1.5
105.07020	18.6
107.04924	4.5
107.08575	17.8
109.02817	1.5
109.06464	2.4
109.10149	14.4
111.04355	3.1
111.08077	2.5
111.11750	1.7
117.06988	11.7
119.08562	17.7
121.06512	3.5
121.10130	12.1
123.08044	3.4
123.11674	2.2
125.05938	1.8
125.09594	2.9
128.06177	1.6
129.06990	10.7
130.07765	2.2
131.08553	8.8
133.10080	7.6
135.08128	1.5
135.11682	19.7
137.09595	1.7
137.13281	1.8
139.11089	1.8
141.06967	2.3
142.07837	1.3
143.08571	8.9
145.10114	20.4
147.11671	7.2
149.13217	1.5
153.12701	1.3
155.08620	6.7
157.10110	6.9
158.85817	1.5
159.11717	4.8
161.13268	2.1
163.11165	15.9
167.08508	3.8
169.10112	8.2
171.11667	8.0
173.09604	2.0
173.13252	4.1
175.14737	1.4
179.08519	1.4
180.09361	1.6
181.10083	7.1
181.12196	5.2
183.11606	8.8
185.13258	5.3
191.10728	1.7
193.10197	2.0
195.11656	5.1
197.13231	6.4
199.14845	2.9
201.16510	1.9
207.11656	2.8
209.11630	3.5
209.13281	5.0
211.14732	4.2
213.09264	1.4
213.16380	2.7
223.14760	2.9
225.16583	1.6
227.12767	35.4
235.14836	1.9
237.16422	2.7
239.23645	5.7
259.20532	3.0
283.15341	32.6
295.20569	1.4
313.27332	52.1
315.23148	2.5
321.22296	1.6
323.23514	1.4
429.31412	3.9
447.32504	14.9
465.33670	5.0
483.34625	2.0
521.38263	40.3
539.37573	100.0
540.38141	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04670	0.5
51.02380	0.4
53.03925	1.0
55.05502	0.6
57.03417	1.4
61.02914	0.4
61.31807	0.3
65.02345	0.4
65.91296	0.4
67.01520	0.6
67.01855	8.7
67.05481	0.8
68.99768	3.8
69.03429	3.9
69.07051	1.1
69.75852	0.6
69.76263	2.1
71.04971	0.9
73.02901	1.0
78.03437	1.7
79.05462	1.1
80.04994	1.0
81.03412	5.2
81.07030	1.9
83.04958	0.4
85.02899	3.1
91.05470	8.3
93.07027	1.5
95.04948	1.4
95.08562	1.9
96.04498	3.7
96.05057	0.6
97.02882	4.5
99.04436	1.7
101.20877	0.4
105.03387	2.4
105.06992	2.6
106.02909	7.6
106.03627	0.7
107.04267	0.7
107.04943	7.3
107.08574	1.3
108.08848	0.4
109.02876	2.8
109.10160	1.2
111.04463	0.5
115.03959	0.7
116.41572	0.4
117.03382	0.4
119.04922	5.0
119.08562	1.1
121.02862	1.0
121.06487	4.0
121.10128	1.1
123.04433	1.4
123.11746	0.7
124.03940	59.2
125.02351	1.1
125.09586	0.6
127.03914	3.8
129.01823	2.0
133.04941	0.8
133.06412	0.4
133.10092	2.2
135.11659	0.7
137.05998	0.7
145.04953	0.8
147.04391	28.0
149.05966	0.4
151.03857	0.7
151.07520	0.5
151.11180	0.4
152.17883	0.4
153.01808	100.0
154.02094	0.6
161.09636	2.2
163.11198	0.7
165.16312	1.0
171.02867	70.1
172.03201	0.5
175.11044	0.5
177.05464	0.9
179.03381	3.2
179.10580	0.9
181.10106	0.9
185.15280	0.4
189.09076	0.7
190.56306	0.5
193.15868	0.4
195.02879	0.9
197.11800	0.5
207.10091	0.8
211.17043	0.9
226.07132	1.4
229.08583	0.7
229.18015	1.1
229.27814	0.4
231.06462	0.7
250.07095	6.9
259.09583	0.4
261.04083	0.5
268.08130	63.3
269.08408	0.8
273.07538	91.0
274.07910	1.9
301.08664	0.4
351.14606	0.8
394.10956	0.5
420.09119	0.8
535.03699	0.5
540.14935	14.1
540.28302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41053	0.8
53.56183	0.8
61.02916	1.1
69.03422	2.3
71.62489	1.1
79.05487	0.9
81.03422	1.6
81.07060	2.1
83.04982	1.1
85.02894	7.7
85.06558	1.4
89.53461	0.7
91.05476	9.9
93.06995	1.1
95.04959	2.2
97.02865	1.3
103.05508	0.9
105.07014	1.5
107.04951	1.7
107.08620	1.0
109.02853	0.8
109.06506	2.4
109.10154	2.2
111.04453	1.3
115.03872	0.8
117.07017	1.4
119.04928	12.6
121.06480	2.0
122.03630	2.1
123.04458	0.9
123.08020	0.9
127.03907	1.4
128.06232	1.0
129.07002	5.7
131.04968	2.0
131.08563	3.3
133.06447	1.3
135.08047	3.0
135.11688	1.3
137.05962	32.7
137.09654	2.7
141.07013	1.3
145.02861	1.2
145.06487	1.8
147.04387	33.3
149.05980	5.1
151.07524	42.6
157.06456	5.7
159.08041	3.2
161.05949	4.7
161.09615	1.4
163.03923	1.0
163.07521	9.5
165.06943	1.1
165.09033	5.7
167.08499	3.9
174.06729	5.7
175.07498	3.8
177.05432	4.3
177.09145	1.6
179.06949	0.8
187.39029	0.8
189.09085	24.0
191.10672	1.5
193.06494	1.8
193.10115	1.3
195.08054	5.6
201.09119	1.9
203.08562	1.4
207.08333	1.0
207.10194	3.5
209.09618	1.2
212.08307	1.6
219.10127	34.4
221.05989	2.4
221.09642	3.3
223.07486	4.9
224.08289	1.5
225.09113	2.8
227.10641	16.1
237.09134	1.1
240.07843	1.5
249.09039	2.9
253.08517	6.3
253.12196	6.5
255.10147	15.2
267.10196	2.1
269.07919	1.7
269.11890	1.0
270.09167	0.9
272.10413	1.7
281.11755	2.5
284.10431	1.1
285.11212	9.5
287.09576	1.4
287.12723	26.8
299.12808	1.3
309.09894	1.4
313.14307	21.8
331.15359	100.0
332.15723	1.7
343.14105	1.4
433.06970	0.8
476.33511	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.5
51.02371	1.1
52.32255	0.2
53.03939	4.4
55.01865	0.5
57.03418	1.0
58.44007	0.2
64.23885	0.3
65.03935	0.3
67.01854	4.5
67.05508	0.6
68.99760	1.6
69.03416	7.0
69.03793	0.4
71.04977	1.0
73.02911	0.5
77.03922	1.0
79.05476	3.0
80.09151	0.3
80.72567	0.3
81.03404	17.5
81.07056	0.5
85.02888	6.8
91.05479	1.7
93.07028	0.8
95.04956	7.2
95.08611	0.8
97.02874	12.3
97.06506	0.3
99.04427	2.6
103.03901	0.6
105.03374	100.0
105.07025	0.7
106.03698	0.7
107.04951	1.7
107.08588	0.9
109.02102	0.5
109.02858	10.2
109.10153	0.4
109.69569	0.3
111.00838	0.5
119.04926	3.7
119.08550	0.7
121.02818	0.7
121.06475	2.2
121.10126	0.8
123.04407	8.1
123.05305	0.4
125.02338	1.1
125.09635	0.3
127.03900	9.6
129.01817	0.9
129.06903	0.3
131.08571	0.3
133.10132	0.5
143.08565	0.3
145.04936	3.0
145.10123	0.3
147.04384	14.5
147.08118	0.3
147.11664	0.5
151.03865	0.7
153.01804	59.5
154.02115	0.6
157.10077	0.3
157.28314	0.2
159.11652	0.5
163.03931	0.3
165.01846	0.7
167.03299	0.3
171.02864	35.0
171.11736	0.3
172.03160	0.5
177.01765	1.4
177.05508	0.3
179.03360	2.0
183.02907	0.7
187.03928	0.4
188.55388	0.3
189.05415	0.4
191.03381	1.5
195.02858	11.6
196.03175	0.2
207.02846	0.4
207.06464	0.8
215.03331	0.9
219.02808	2.4
221.08018	0.4
231.06427	0.6
233.04391	0.5
243.02878	1.2
249.07538	27.9
250.07793	0.3
255.06367	0.3
261.03912	4.8
267.08594	4.2
273.07520	69.3
274.07794	1.3
285.07779	0.4
297.07513	2.5
315.08572	4.0
339.08627	1.9
363.08539	2.9
381.09702	3.4
398.27704	0.6
401.08521	0.9
426.27438	0.4
485.11966	0.9
506.01566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01862	23.5
55.05223	0.8
55.05497	20.0
57.03429	3.9
57.07063	49.1
58.07368	0.7
65.03925	1.0
67.05489	30.4
69.03414	9.3
69.07055	12.8
70.20238	0.9
71.04978	1.8
71.08616	29.6
71.33693	1.1
73.02892	3.4
79.05474	14.5
81.03407	4.8
81.07038	30.9
82.04185	5.4
83.04958	11.2
83.08600	15.7
84.02093	0.9
85.06516	2.1
85.10166	17.5
85.10947	0.8
89.06010	2.7
91.05458	11.0
92.06264	0.8
93.07015	8.1
94.07775	1.0
95.04956	10.3
95.08585	32.5
96.05709	0.8
97.02867	1.2
97.06502	7.3
97.10146	8.5
98.07291	8.0
99.08064	1.6
99.11716	1.5
105.06999	6.7
107.04935	3.4
107.08573	6.7
109.06505	2.0
109.10132	16.3
109.10895	0.9
111.04452	1.4
111.08062	5.1
111.11742	1.2
115.05442	0.8
116.04701	1.1
117.06996	2.2
119.08567	4.4
121.06487	1.9
121.10104	3.8
123.08048	3.5
123.11682	5.9
125.09631	5.2
125.13201	1.4
127.11190	4.0
129.06973	2.1
131.08531	3.4
133.10121	3.9
135.07999	1.0
135.11670	3.4
136.08853	0.8
137.09573	1.4
137.13222	2.4
139.11140	0.8
145.10138	1.1
147.11673	3.3
149.09581	1.1
151.14766	1.0
157.10110	3.1
158.05724	4.0
163.11145	1.9
164.11914	1.7
171.06493	9.5
175.11095	1.4
181.12372	0.9
185.08073	3.4
193.12151	1.9
199.09677	1.8
209.11719	2.3
213.11243	2.5
227.12708	6.8
231.40326	0.7
239.23634	9.3
242.15048	2.2
253.14534	0.7
254.66599	0.8
255.15855	6.3
269.17447	3.1
283.15411	1.8
283.18787	1.2
297.20572	1.0
311.21982	5.5
313.27414	6.5
325.23712	1.1
353.26837	1.7
354.27457	2.4
367.24780	0.8
367.28372	16.9
376.89816	0.8
381.30127	5.2
395.31485	9.6
409.33203	3.0
423.34579	2.7
437.36273	2.0
438.37018	8.7
493.38489	2.3
521.38098	2.9
529.13531	0.9
539.39313	100.0
540.39746	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	538.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51768	0.5
55.05451	5.6
55.39764	0.6
57.07011	8.6
62.06081	24.8
62.06366	1.6
65.03852	0.7
65.20365	0.6
67.05493	6.6
67.51781	0.6
69.07058	13.6
69.39528	5.7
70.02901	1.6
71.04928	0.8
71.08618	8.1
72.04472	0.6
72.71614	0.6
76.34711	0.6
79.05482	4.5
81.03362	0.6
81.07042	16.0
83.08603	7.4
85.10165	4.7
86.06023	1.1
87.04414	0.9
88.03929	0.7
91.05483	4.6
93.07030	9.3
95.04895	1.6
95.08598	15.0
97.06440	0.8
97.10158	5.4
98.20745	1.4
105.07023	7.4
107.08578	9.5
109.06443	1.1
109.10141	9.1
110.10336	0.8
111.04360	2.4
111.08043	0.8
111.11633	2.8
112.03906	0.7
112.07571	1.2
117.06937	2.3
118.40271	0.6
119.08553	7.5
121.06406	0.7
121.10141	7.3
123.11671	4.0
123.12389	0.9
126.09064	2.7
128.07069	4.3
129.06960	1.4
130.08586	1.1
131.08557	6.9
133.06438	0.7
133.10110	9.0
135.07965	1.1
135.11656	5.2
137.09561	0.8
137.13170	2.3
139.07489	0.7
143.08560	3.9
144.10120	0.9
145.10101	12.5
147.11653	6.5
149.09512	0.8
149.13249	3.5
157.10081	3.5
159.11659	5.5
161.09560	1.7
161.13208	3.9
163.11093	1.4
163.14685	2.4
165.09142	0.7
169.10069	0.9
171.11681	3.1
172.13274	0.9
173.09615	6.0
173.13187	2.8
175.11101	1.6
175.14717	2.3
177.09100	0.9
177.12610	0.7
177.16273	1.3
179.10683	1.2
181.10048	1.0
183.11586	1.9
185.13269	3.7
187.11140	1.4
187.14778	3.1
189.09007	0.9
189.12648	0.9
189.16267	1.3
191.10597	1.8
195.11623	1.1
197.13182	0.8
199.11084	2.1
199.14717	2.2
201.12692	1.0
201.16249	1.6
205.12090	0.7
211.14761	0.7
213.12732	1.0
213.16283	1.4
215.14278	1.0
223.14810	0.8
225.16345	1.1
227.14227	1.0
227.17873	2.3
231.13811	1.3
241.15678	0.9
247.24313	0.6
269.18936	1.3
287.20013	1.2
299.27228	0.6
301.05887	0.7
301.28827	1.8
367.33554	2.0
381.35077	1.0
384.20618	0.7
399.35468	0.7
409.34500	3.1
427.35605	9.4
446.39905	2.0
452.39114	3.3
470.39847	16.6
488.40915	100.0
489.41162	2.9
506.42020	32.8
507.42438	0.8
520.43689	6.6
538.35852	5.2
538.44513	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	538.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35279	3.0
53.03938	5.2
55.01871	3.1
55.05497	25.0
55.72437	2.6
57.03422	4.7
57.07060	8.1
59.04994	5.3
60.90716	2.5
61.02912	3.4
65.03927	3.7
67.05489	31.2
69.03426	14.5
69.07055	90.0
69.33566	5.5
69.33966	23.8
70.06579	8.7
71.01348	2.4
71.04981	29.2
73.02895	5.0
79.05476	20.4
81.03389	9.1
81.07038	100.0
83.04970	9.2
83.08604	13.0
85.02884	23.4
85.06532	13.2
91.05453	19.4
93.07023	60.9
94.07357	3.7
95.04951	15.8
95.08591	54.1
96.08865	3.0
97.02905	12.6
97.06486	13.6
97.10149	8.9
99.04423	6.3
99.08072	11.3
105.03384	3.4
105.07008	26.0
107.04945	4.9
107.08570	50.5
109.02853	6.4
109.06491	9.8
109.10133	61.4
111.04416	3.3
111.08067	10.7
111.11692	22.4
112.07581	5.4
113.09640	2.9
115.03932	2.8
117.03356	2.8
117.06955	4.4
118.07326	2.5
119.04925	3.1
119.08575	26.4
120.08891	3.5
120.71490	2.4
121.02818	5.0
121.06483	6.6
121.10120	54.3
122.10458	4.1
123.04365	4.3
123.08058	8.5
123.11696	42.3
125.05927	4.5
125.09606	9.9
125.13251	3.4
127.03898	9.0
127.07555	3.1
127.11170	10.1
129.06979	2.7
130.07779	3.3
131.04845	3.0
131.08556	6.5
133.06468	3.0
133.10112	19.0
135.08029	12.6
135.11658	31.1
137.05962	6.4
137.09583	10.7
137.13248	6.4
139.03880	5.8
139.11143	16.2
141.12721	3.5
143.08604	2.6
145.02818	6.9
145.04973	3.3
145.10109	11.5
147.04372	20.0
147.11693	15.8
149.09607	5.6
149.13237	21.9
151.03946	4.2
151.11191	17.9
153.12718	8.9
155.10640	4.3
157.10097	6.5
159.11682	11.5
161.09549	2.9
161.13252	6.5
163.03914	5.2
163.11143	10.4
163.14806	6.1
165.09035	3.9
165.12735	6.1
167.14302	4.6
170.08168	2.8
171.11691	2.5
173.13211	3.8
175.14801	4.5
177.05434	18.5
177.12740	7.7
178.05879	3.8
179.10675	5.2
181.08559	3.0
181.12164	12.5
187.13303	6.1
187.14790	4.7
189.09068	2.9
191.14256	3.7
193.15938	2.9
195.13777	6.3
197.08148	3.8
201.16454	3.3
205.15924	3.9
209.15353	10.9
210.15607	3.0
216.03734	2.7
221.08008	12.9
244.04211	8.8
269.22366	2.8
275.23459	3.4
279.23160	16.3
287.23642	12.6
293.24640	23.2
305.24689	55.3
308.10965	2.7
310.53363	2.7
311.25797	19.7
323.25748	97.4
341.26703	13.0
359.27835	4.3
538.20496	6.1
538.33740	4.1
539.28192	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	538.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46576	0.3
63.02361	0.5
69.03406	1.5
70.77184	0.8
81.03410	1.4
85.02880	1.0
86.09711	0.3
89.03904	3.2
98.20798	0.3
99.04441	0.4
109.02868	0.7
114.39750	0.3
117.03365	10.8
130.93571	0.3
134.03600	0.7
135.04379	0.8
145.02826	39.1
147.04408	0.4
149.05945	4.1
156.07614	0.4
163.03885	0.5
177.05446	100.0
178.05760	0.8
183.08699	0.4
186.05478	0.7
195.06448	0.8
220.26207	0.4
243.08644	0.4
262.17761	0.4
291.87692	0.3
321.09521	1.3
339.10696	5.9
341.12186	0.3
347.45850	0.4
359.13300	1.1
366.70068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.1
55.05494	1.5
56.87952	0.8
65.03915	1.5
67.05476	3.4
69.03409	1.4
69.07047	3.4
71.04938	1.2
71.62814	1.3
78.38734	0.8
79.05468	4.8
80.04998	1.3
81.05795	0.8
81.07040	4.8
82.06544	2.3
85.02878	1.9
86.43983	0.8
89.03917	1.2
91.05450	4.5
92.04959	1.0
93.05780	1.3
93.07034	10.5
94.06544	11.7
95.04929	2.5
95.07327	8.4
95.08599	4.0
96.08118	22.9
97.02903	0.8
97.06533	4.1
98.92892	0.8
99.04425	2.2
103.05462	1.6
105.07008	3.0
106.06544	1.1
107.08575	2.0
108.08102	15.3
109.06482	1.0
109.08900	1.0
109.10126	2.4
110.06017	1.0
110.09663	39.5
111.04450	1.1
116.04939	4.9
118.06512	1.4
119.08559	2.9
120.04468	6.7
120.08082	28.8
121.02846	17.1
121.06467	2.4
121.10113	3.3
121.48403	0.7
122.03168	5.0
122.06024	5.2
123.06789	1.7
123.11678	1.4
124.07579	6.4
133.10135	1.5
134.05991	2.8
135.11665	1.9
136.07558	10.7
138.05508	6.2
138.09120	51.9
139.03836	1.1
144.04424	7.8
145.02837	1.4
145.10152	1.5
146.05981	5.3
147.04387	3.1
148.07547	9.9
149.13251	1.4
150.05493	1.5
152.07076	1.5
160.03912	2.3
161.09550	2.6
162.05435	5.0
163.11189	1.5
164.07001	1.6
166.04930	5.1
166.08615	99.9
172.03905	49.8
172.05405	2.0
174.05450	2.1
177.01817	1.2
177.05458	1.2
178.04941	1.1
179.10631	1.7
184.09883	1.1
189.09015	1.3
190.04959	17.5
191.03372	1.9
192.06461	1.0
195.09171	1.0
196.09923	1.3
197.10754	2.3
204.06532	32.0
209.10703	2.4
211.08675	1.7
211.12357	1.3
212.09340	4.5
213.10164	1.7
215.03087	1.1
220.03281	1.6
222.07658	1.1
222.11536	2.1
223.08542	2.0
224.09402	3.3
225.10161	6.0
226.10980	1.2
227.11769	2.9
235.08609	1.8
236.09348	4.6
237.10165	18.0
238.10924	3.3
239.08138	2.4
239.11705	5.8
240.08748	1.2
241.09686	4.0
245.12900	2.0
247.14398	2.6
249.10214	2.2
250.07227	1.9
250.10995	2.3
251.08095	2.3
251.11748	9.3
252.08931	2.0
252.12436	1.3
253.09703	6.8
253.12083	0.9
253.13394	1.4
255.11298	3.7
261.04013	1.7
261.10123	1.4
262.04373	1.5
263.11621	1.9
264.08777	1.5
265.09686	25.1
266.10455	3.1
267.11276	4.7
268.08231	1.7
269.12817	1.5
271.10834	3.8
273.12399	6.5
277.09702	1.0
278.06564	8.1
279.11206	11.6
280.08386	4.2
280.11615	1.2
281.09207	2.4
281.12775	4.1
282.09906	1.0
283.10699	7.7
285.12320	2.9
289.09662	1.6
291.11209	0.8
292.08145	2.3
293.09146	24.6
293.24551	1.0
294.09958	6.4
295.10651	1.8
296.11429	1.4
297.07477	1.0
297.12283	9.6
299.10220	3.0
299.13562	1.7
300.10989	2.8
305.24835	2.0
307.10745	5.5
309.12192	5.2
311.10385	4.0
312.10861	4.8
313.11734	8.7
316.14456	1.0
321.13516	0.8
323.10193	1.7
323.25635	3.4
325.07880	1.3
325.11771	23.4
327.13385	1.0
329.15042	1.0
335.10236	9.7
339.09109	1.0
340.10349	4.0
341.11279	29.0
343.12888	3.1
353.11258	25.2
353.15582	1.0
357.14444	8.3
364.08762	1.4
373.13937	7.1
375.28583	0.9
382.10056	2.4
385.13821	9.4
390.18222	1.1
418.17438	0.9
432.19437	1.0
437.19501	2.2
442.17413	1.7
460.18591	6.3
462.20193	1.8
464.17441	1.0
465.18900	10.5
478.19745	11.5
488.18173	19.9
492.21091	0.9
506.19165	100.0
507.19299	1.7
510.22345	1.4
520.20697	3.1
538.21075	5.0
560.70313	1.0
563.73645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.7
57.03415	8.7
57.07066	29.6
57.67570	2.9
59.04992	2.3
65.03915	3.3
67.05488	42.9
69.07050	14.2
71.08631	24.1
71.62523	2.3
79.05479	38.1
81.03403	4.5
81.07041	37.9
83.04951	6.2
83.08175	3.0
83.08606	11.9
85.10160	13.5
91.05448	26.9
93.07023	33.9
95.04944	10.9
95.08584	35.2
97.06537	2.9
97.10139	5.7
105.07014	23.6
107.04927	3.3
107.08569	12.0
109.06468	3.1
109.10118	13.5
111.08051	3.3
117.06982	7.4
117.16740	2.5
118.57522	2.4
119.08545	18.1
121.10128	4.6
123.08067	4.0
123.11659	5.3
129.06958	10.7
131.08536	3.0
133.10139	7.3
143.08548	5.1
145.10077	4.9
147.11653	23.8
161.13237	7.1
171.11711	14.9
189.12796	4.5
207.13786	19.5
239.23679	3.8
267.21057	2.8
281.17438	39.6
299.06168	5.8
313.27292	53.7
519.40430	100.0
537.24689	3.6
537.37286	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	537.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01873	1.0
55.05507	13.1
57.03432	8.5
57.07069	34.3
64.10806	1.2
65.03922	2.2
67.05497	41.7
69.03426	1.1
69.07057	14.2
71.04977	1.8
71.08624	24.8
71.59326	1.2
73.02949	0.9
73.06552	1.1
79.05482	47.0
81.03413	4.6
81.07048	38.4
83.04967	9.0
83.08607	12.1
85.06550	1.7
85.10177	11.8
89.06006	1.3
91.05466	40.3
93.07030	47.8
93.66216	1.3
94.50507	1.3
95.04967	15.8
95.08595	27.4
97.06518	2.7
97.10117	5.2
105.04540	1.3
105.07022	30.1
107.04948	5.1
107.08581	11.7
109.06490	4.8
109.10146	8.1
117.07016	5.4
119.08562	15.3
121.06514	1.9
121.10121	2.8
123.08066	3.0
123.11697	2.8
125.60581	1.2
127.07500	1.3
128.06195	1.0
129.06984	11.4
131.08551	1.6
133.10127	7.5
135.11722	1.1
137.13286	1.4
139.92697	0.9
143.08557	7.2
145.10135	6.3
147.08014	1.9
147.11664	30.3
161.09619	5.2
161.13226	8.1
165.09090	1.0
167.05531	1.2
171.11664	19.3
173.83003	1.1
189.12741	7.3
207.13763	29.5
208.43265	1.0
221.53903	1.1
225.14890	1.4
239.23628	2.1
257.24753	1.4
258.75079	1.1
281.17438	59.2
281.29526	2.6
282.17712	1.3
282.27939	7.9
289.94064	1.1
299.30490	2.0
313.27322	62.1
313.97180	1.0
314.27597	1.4
519.40399	100.0
520.40460	1.9
537.53503	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91982	0.4
55.05487	1.4
57.03409	0.5
57.07062	1.5
58.68742	0.4
59.13821	0.4
67.05487	2.7
69.07061	2.5
69.36042	0.8
69.36459	3.5
71.04972	0.5
71.08627	1.1
79.05480	2.6
79.71849	0.3
81.03403	0.4
81.07037	3.3
81.44464	0.4
83.01077	0.5
83.08605	1.4
85.10169	0.6
91.05476	2.3
93.07027	3.1
95.04964	0.7
95.08584	2.6
95.26508	0.4
97.06522	0.6
97.10194	0.4
98.21561	0.6
105.07007	3.1
107.08595	2.5
109.10146	1.8
113.99711	0.4
117.07005	1.1
119.08559	4.1
121.10089	1.9
123.11687	1.0
131.08553	1.7
133.10144	2.9
135.11681	1.8
142.07800	0.5
143.08568	1.3
145.10107	3.2
147.11710	1.4
155.95982	0.4
157.10130	1.1
159.11679	1.7
161.13275	0.5
169.10054	0.5
171.11705	1.5
173.13274	0.8
175.14871	1.2
183.11754	0.6
187.14790	1.4
195.11688	0.4
197.13266	0.8
199.81277	0.4
201.16422	0.4
207.13779	0.8
209.13298	0.8
213.16135	0.5
281.17325	1.9
313.27301	1.1
359.88510	0.5
363.47473	0.4
422.93494	0.4
459.32385	3.1
477.33179	4.4
477.38715	0.5
518.35858	1.1
519.40753	2.1
537.35419	100.0
538.36023	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68676	1.1
53.03940	3.0
55.01869	1.4
55.05502	14.3
57.03425	8.3
57.07065	25.0
65.03914	1.5
67.05492	40.2
69.06754	1.2
69.07059	11.9
69.83698	6.5
71.04971	1.7
71.08620	20.0
73.06545	2.2
79.05477	46.5
81.03410	6.9
81.07043	31.9
83.04958	9.0
83.08609	11.2
85.10157	11.7
91.05460	32.4
91.05997	2.1
93.07024	42.7
95.04953	13.6
95.08590	25.3
97.06501	2.5
97.10143	5.7
97.46996	1.1
105.07015	26.6
107.04940	4.3
107.08578	12.4
109.06493	2.8
109.10134	9.6
115.05459	1.6
116.14208	1.3
117.07001	3.4
119.08573	14.4
121.06470	1.6
121.10130	3.7
123.08041	2.2
123.11658	1.6
127.07559	1.8
129.06975	12.8
131.08568	2.0
133.10085	7.6
135.11653	1.3
143.08517	4.8
145.10091	7.9
146.96695	1.3
147.11659	27.5
150.53159	1.2
151.11156	1.3
153.71466	1.3
161.09639	2.4
161.13231	7.1
171.11658	17.6
189.12730	8.3
207.13771	23.4
225.14853	2.3
239.23717	2.0
281.17416	50.4
299.06052	1.6
300.06299	1.9
313.27322	56.6
416.03168	1.5
420.51184	1.3
519.40350	100.0
537.25067	1.9
537.41962	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40662	0.4
53.03939	0.5
55.01867	0.5
55.05495	1.0
59.55269	0.4
65.28014	0.4
67.05503	1.9
69.03419	1.4
69.07048	1.6
70.00270	2.3
73.02869	0.5
79.05476	2.1
80.93617	0.4
81.03413	0.6
81.07041	6.8
83.04971	0.8
83.08633	0.9
85.02889	3.0
85.06518	0.6
91.05453	2.5
93.07037	4.5
94.34676	0.4
95.04958	1.2
95.08591	4.7
97.02875	0.7
97.06503	0.7
99.04430	0.8
99.08078	1.2
103.05427	0.4
105.07011	8.0
107.04955	0.7
107.08585	6.3
109.06498	2.4
109.10132	2.2
111.08064	0.8
115.05444	0.7
117.07003	1.2
119.08558	7.4
121.02827	0.5
121.06483	1.3
121.10131	5.0
121.60739	0.4
123.08061	0.9
123.11721	0.9
125.09615	0.5
127.03892	0.8
129.07002	2.1
131.08540	6.5
133.06496	0.9
133.10100	6.0
135.07983	0.9
135.11684	1.3
137.05954	2.1
137.09595	1.0
141.06940	0.5
142.07767	0.6
143.08516	3.6
145.04929	0.8
145.06546	0.4
145.10094	6.9
147.04395	0.7
147.08029	2.0
147.11661	4.2
149.09578	0.7
149.13242	0.7
151.03868	2.5
155.08539	1.2
156.09377	0.7
157.06520	0.5
157.10098	3.7
158.10806	0.6
159.08080	0.8
159.11668	4.8
161.09619	1.5
161.13237	5.4
163.05962	0.6
163.07417	0.4
163.11186	0.9
163.14824	1.2
168.09367	0.6
169.10132	1.1
170.10828	0.7
171.11659	22.3
173.09659	0.7
173.13239	8.2
173.81635	0.4
175.11189	1.0
175.14818	2.7
177.05403	0.6
177.12852	0.5
177.16347	4.4
183.11668	3.4
185.13206	3.1
187.11133	0.9
187.14803	1.7
189.12714	35.4
190.13112	0.5
191.10648	0.6
191.14249	3.1
193.15935	0.6
195.17384	0.7
197.13306	1.1
199.14838	1.3
201.12717	5.9
201.16383	1.0
203.06984	1.1
203.14276	2.5
205.12234	0.5
205.15884	0.7
207.13911	0.7
209.13179	0.7
211.14839	0.8
213.16469	0.6
213.18465	1.8
215.14311	1.2
217.12109	0.5
217.15884	1.8
219.13763	24.4
219.17284	0.9
221.15364	0.7
227.14206	1.1
229.15848	1.1
233.15381	1.0
241.15849	0.7
245.15451	1.0
255.17197	0.5
263.16489	0.5
357.13330	0.7
375.14621	0.6
407.29379	0.7
425.30432	0.5
437.30716	2.2
443.31564	0.8
455.31406	5.7
473.32556	100.0
474.33112	2.1
491.33636	6.1
519.32996	4.1
537.34106	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	537.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05487	1.2
56.56287	0.3
57.03403	0.5
57.07056	0.3
60.65728	0.4
67.05496	2.6
69.03403	1.7
69.07038	1.4
69.56772	2.3
73.02910	0.6
79.05473	1.8
81.03390	1.1
81.07039	6.4
83.04949	0.9
85.02873	1.6
85.06510	0.5
91.05451	3.0
92.05798	0.3
93.07021	4.5
95.04927	1.4
95.08581	3.2
97.02862	1.0
97.06494	1.4
98.21446	0.6
99.08061	0.4
105.07014	9.8
107.08570	4.7
109.02847	1.2
109.06477	2.4
109.10149	3.4
111.08072	0.8
117.07002	1.4
119.08562	8.0
121.06472	2.5
121.10123	3.7
123.08028	5.1
123.11679	0.9
124.08382	1.6
127.03865	0.4
129.06964	2.0
131.08539	8.1
133.04881	0.6
133.06406	0.7
133.10120	4.8
135.08015	1.4
135.11644	1.0
137.05945	0.9
137.09596	5.9
141.06938	0.7
142.07765	0.9
143.08528	3.9
144.09288	0.4
145.04961	0.7
145.10092	8.2
145.76495	0.4
147.08032	1.9
147.11661	3.0
149.09584	1.4
149.13245	0.8
155.08548	1.2
156.09326	0.5
157.10104	3.4
158.10851	0.9
159.08047	1.0
159.11681	4.8
161.09578	1.5
161.13228	4.3
163.11183	0.7
163.14772	3.8
165.09061	4.9
168.09390	0.5
169.10120	2.2
170.10902	0.7
171.11661	27.2
173.09729	0.4
173.13229	10.4
175.11113	0.9
175.14778	3.1
177.05402	0.5
177.12686	0.7
177.16263	0.7
181.10080	0.6
183.10156	0.6
183.11613	3.9
185.13185	3.0
187.11151	1.8
187.14810	1.5
189.12708	41.1
191.14259	8.0
197.13248	1.5
199.11124	0.7
199.14778	1.0
201.11185	0.4
201.12698	9.4
201.14461	0.7
203.14305	4.3
205.15851	2.2
209.15303	2.8
211.14873	0.6
215.14331	0.7
217.12238	2.5
217.15831	0.8
219.13751	27.1
221.15355	1.4
223.14810	0.5
225.14651	0.8
226.15108	1.0
227.16380	0.7
229.15840	1.0
230.11775	0.4
237.14809	0.6
257.18985	0.4
309.13223	3.2
323.22028	0.7
327.14514	0.7
425.88275	0.5
437.30438	1.4
443.31506	1.1
455.31555	5.7
473.32538	100.0
474.32602	2.0
491.33627	9.7
519.33203	2.0
537.33966	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
55.78705	0.7
56.73603	0.6
57.03405	0.8
65.03916	3.5
67.05480	1.3
69.03408	3.4
69.07061	0.8
71.04970	0.9
71.62400	0.8
71.62766	1.2
73.14514	0.6
79.05486	1.1
81.03387	2.0
81.07030	2.3
83.04937	0.7
85.02876	4.6
89.03899	0.9
91.05447	1.6
91.08231	0.6
92.04973	2.1
93.07014	2.2
94.06564	1.6
95.07320	1.1
95.08570	1.1
96.08119	4.3
97.02860	1.6
97.06519	1.3
99.04445	1.1
105.07016	1.2
107.08572	2.7
108.08086	7.0
109.02884	0.8
109.10103	2.0
110.09643	4.8
116.04951	2.5
120.04424	5.0
120.08090	3.4
121.10129	1.2
122.06013	4.5
124.07545	2.1
127.03862	1.7
127.11214	0.7
129.06981	0.9
131.04855	0.7
131.08511	0.9
133.10098	0.8
135.08003	1.1
136.07527	5.9
137.05968	6.5
138.05453	1.2
138.09113	6.7
144.04431	7.0
145.04979	0.8
145.79370	0.7
146.05975	1.1
147.04431	0.9
148.03889	76.0
148.07524	2.7
150.09158	0.7
151.03870	5.5
154.08546	1.8
155.10603	1.1
157.06454	1.7
162.05461	6.9
165.09103	0.8
166.04956	25.0
166.07162	0.9
166.08607	22.4
172.03899	43.9
174.05394	1.3
177.05388	1.3
189.12708	0.8
190.04944	10.1
191.07092	0.8
199.12277	1.0
203.06952	1.9
204.06508	100.0
205.08569	1.6
212.09358	0.8
222.07573	1.9
227.11717	3.1
251.11716	0.8
255.08635	1.1
255.11214	16.3
273.12247	16.6
275.13931	0.7
283.10718	16.6
297.12292	0.8
301.11749	65.5
303.22861	0.9
307.85004	0.9
315.12985	0.8
319.12820	3.9
321.24155	1.6
321.32382	0.9
325.11728	2.8
329.14774	2.3
334.09360	1.1
339.12854	2.3
343.12793	66.2
357.14331	26.8
375.15222	6.0
457.28522	0.7
473.32568	0.9
487.16782	1.5
493.19754	0.8
501.18335	1.1
519.31586	0.7
537.21368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41681	0.2
55.05504	0.2
56.05034	0.5
58.06611	0.3
59.07344	0.2
60.08159	5.5
67.05495	0.6
71.07366	2.5
79.05486	0.5
81.07047	0.7
83.04964	0.2
86.09696	26.8
91.05427	0.2
93.07033	0.6
95.04955	0.2
95.08600	0.5
98.98447	2.4
98.99036	0.3
104.10732	3.4
105.07011	0.4
107.08558	0.5
109.10115	0.3
117.06987	0.2
119.08577	0.6
121.10177	0.2
124.51349	0.1
124.99991	17.3
131.08612	0.3
133.10178	0.2
135.42754	0.2
135.57944	0.2
143.01056	0.3
157.10092	0.2
159.11790	0.2
167.05537	0.4
173.13203	0.3
184.07320	100.0
185.07634	0.4
258.10895	0.2
297.34219	0.2
299.06097	0.8
455.31799	0.2
500.31256	1.2
518.32422	9.4
536.31183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
56.05025	0.8
56.28253	0.5
57.18779	0.6
58.06595	1.6
60.08154	15.9
67.05493	4.6
69.07054	0.6
71.05017	0.6
71.07369	5.6
71.63165	0.9
79.05476	2.9
81.07044	4.5
83.04971	0.7
86.09692	52.0
87.10040	0.8
91.05389	0.8
91.05777	2.0
93.07025	4.9
95.04967	0.8
95.08585	3.1
97.06551	1.1
98.98447	3.4
104.10728	87.4
105.06999	2.9
107.08575	4.4
109.10134	2.1
117.07019	0.8
118.70135	0.6
119.08547	2.9
121.06482	0.8
121.10130	2.1
123.08089	0.6
123.26105	0.6
124.99986	27.1
129.06963	0.5
131.08542	2.4
133.10089	2.6
135.08046	0.6
135.11639	1.2
143.08527	1.8
145.10112	1.8
147.11668	1.4
149.13237	0.7
154.35451	0.6
155.08504	0.8
157.10092	1.8
159.11626	1.0
161.13271	1.3
163.14783	0.6
167.05493	2.2
169.10057	1.1
171.11667	1.2
173.13167	1.3
183.11740	0.7
184.07310	100.0
185.07631	2.1
185.13197	1.1
186.07748	1.2
187.14818	0.8
189.12869	0.8
197.13235	0.6
199.14841	0.8
211.14751	0.7
225.04239	0.6
258.11050	0.9
283.02948	1.3
299.06186	6.1
300.06122	0.9
344.97440	1.0
377.24704	0.7
395.25491	1.2
413.26569	0.7
423.24850	0.8
441.25946	0.9
500.31284	5.6
518.32355	53.4
519.32074	1.9
536.30774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07842	1.9
52.44922	2.4
52.59770	2.4
53.03923	3.3
55.05497	11.0
57.03432	3.2
57.07053	3.7
59.04973	3.2
67.05163	3.1
67.05495	28.6
69.03378	2.9
69.06709	3.0
69.07052	36.9
69.32491	18.0
69.32902	4.9
71.04980	4.5
73.06539	2.6
76.40690	2.2
79.05487	17.1
81.06573	3.1
81.07040	51.2
83.04946	3.2
83.08627	11.3
85.06521	5.7
87.04411	3.1
91.05399	20.6
93.07021	40.5
95.04951	5.3
95.08591	85.4
97.06535	10.4
98.20744	3.0
99.08059	4.5
105.07011	58.3
107.08571	49.5
109.06494	5.5
109.09446	2.9
109.10132	34.0
111.08015	4.8
113.06008	3.3
115.05463	2.2
115.07525	7.1
115.54402	2.0
117.06996	14.2
119.08560	39.9
121.06479	5.2
121.10119	31.3
123.08049	6.4
123.11668	10.1
125.09601	2.9
128.06207	3.7
129.07016	15.9
131.08537	45.1
132.09285	4.9
133.10107	50.2
135.08025	6.8
135.11687	17.7
137.09628	2.4
142.07747	8.2
143.08534	31.4
145.10094	52.8
147.08008	5.6
147.11653	35.4
149.09624	10.6
149.13223	24.1
153.09015	4.0
155.08493	9.3
156.09277	3.3
157.10100	55.4
159.11662	42.1
161.09583	8.2
161.13223	31.9
163.11157	6.6
163.14754	7.5
167.05513	8.9
167.08572	3.0
167.10707	4.7
169.10106	9.3
170.10710	2.2
171.11664	38.7
173.09596	3.6
173.11760	3.5
173.13229	32.2
175.11154	8.3
175.14743	14.5
177.09077	3.2
177.12685	6.8
177.16388	3.1
179.10693	3.2
179.14357	4.3
181.10057	2.7
183.11636	8.3
185.09630	5.3
185.13219	28.9
187.11099	3.8
187.14754	19.2
189.12697	9.6
189.16360	6.1
191.10583	3.5
191.14288	14.7
193.12146	4.0
193.15805	3.6
194.10921	2.2
195.11772	4.7
195.13757	11.9
197.13228	7.5
199.11060	3.5
199.14769	28.0
201.12723	6.2
201.16328	8.7
203.10649	4.4
203.14264	12.2
205.12173	4.2
205.15799	6.0
207.13782	11.8
209.11598	4.9
209.13388	3.8
209.15300	38.8
211.14764	6.7
213.12726	5.6
213.16333	5.0
215.17921	3.1
217.12244	5.7
217.15874	8.4
219.13710	5.6
221.15334	15.5
223.16896	4.6
225.12746	2.2
225.16313	4.3
227.14334	4.9
227.17961	2.7
231.13797	19.4
233.15289	9.2
235.16875	18.5
237.18571	2.7
239.17920	3.3
245.15366	14.0
247.16891	4.2
249.14609	4.7
249.18402	4.1
251.20226	2.8
253.19432	6.5
257.15289	2.2
263.16336	3.0
263.20129	2.3
273.18573	2.3
277.19122	2.1
283.03018	4.0
285.18564	2.4
287.19925	3.4
299.06113	10.4
325.21503	5.0
327.23056	4.2
343.22571	6.1
345.24069	3.1
348.29617	2.6
359.27606	4.2
367.26367	5.3
377.28165	20.3
379.29794	2.6
387.26627	4.1
395.29382	90.4
397.30893	7.6
405.27756	33.0
413.30496	44.5
414.31158	2.5
415.03625	2.3
423.28851	44.3
433.44638	2.2
441.29916	100.0
459.30978	64.5
460.30365	2.5
536.35870	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	536.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	5.6
54.19236	4.0
54.87122	3.9
55.05494	17.7
58.63210	4.2
65.03947	5.8
67.05495	37.5
69.03405	7.1
69.07048	24.8
71.04962	5.6
71.61925	5.7
73.04726	9.1
73.08741	4.4
79.05468	34.1
81.03387	4.3
81.07047	69.4
83.04963	10.9
83.08586	11.8
85.02863	4.4
86.09677	8.6
91.05371	32.0
93.06544	5.7
93.07037	70.4
95.04936	11.8
95.08594	68.2
97.06524	9.9
97.10132	6.0
100.13770	4.2
103.03859	4.2
104.10703	6.4
105.07016	100.0
107.08587	59.7
109.06499	12.6
109.10139	42.0
111.08041	6.0
117.06969	21.5
117.24714	4.3
119.08557	73.8
121.06465	11.5
121.10116	57.4
122.30345	4.2
123.08064	11.8
123.11685	8.1
127.07558	5.8
128.06184	12.3
129.06985	28.0
130.07747	6.3
131.08543	69.8
133.10112	69.1
135.08037	11.0
135.11647	23.3
137.13231	5.4
139.11192	5.4
141.06944	7.1
142.07744	15.0
143.08546	67.0
144.09322	6.5
145.10106	93.5
147.08006	9.9
147.11635	42.7
149.09564	11.9
149.13229	14.0
150.09073	10.2
151.07446	5.9
155.08514	46.9
156.09282	15.2
157.08911	7.8
157.10109	89.7
159.07988	8.2
159.11661	77.3
161.09590	13.2
161.13226	31.4
163.11139	17.0
163.14708	7.9
165.06950	5.7
167.05571	26.3
167.08479	9.7
168.09354	8.9
169.10077	47.1
170.10811	5.6
171.08066	6.4
171.11632	53.8
173.09602	20.2
173.13191	28.7
175.11154	13.3
175.14821	9.1
177.09146	6.4
177.12711	10.0
179.08528	5.5
181.10066	14.1
183.10181	6.3
183.11621	39.3
184.07278	23.6
185.07622	4.7
185.09592	4.8
185.13252	44.9
187.11110	17.9
187.14781	19.5
189.12758	9.7
190.78650	5.2
191.10654	8.6
191.14333	4.9
193.10161	8.5
193.12114	7.8
193.24324	4.0
195.10159	6.7
195.11676	22.3
195.31177	4.9
196.12323	4.4
197.13249	34.0
199.11157	7.3
199.14772	26.4
201.12735	13.9
201.16338	10.7
203.10590	9.8
203.14322	8.7
205.12193	12.7
207.11703	10.9
209.11620	11.3
209.13263	15.9
211.14780	16.8
213.12714	13.8
213.16304	5.7
215.10640	6.7
215.14359	11.7
217.12172	13.7
217.15791	8.5
219.13785	5.9
221.13287	6.3
223.14847	11.1
225.12720	8.2
225.16312	10.0
227.14294	9.6
229.12173	9.2
229.15915	6.3
231.13806	27.3
233.15364	6.6
235.12964	6.4
235.14995	9.8
239.09265	7.0
239.17923	6.2
241.15805	6.2
243.13811	11.9
245.15401	6.9
249.14812	11.3
255.13785	8.8
257.15308	5.4
263.16422	5.8
275.16464	9.3
277.19330	6.7
279.21008	18.5
281.18906	5.0
283.02997	8.2
297.22040	17.7
299.06137	41.8
300.06244	7.6
307.14767	4.3
325.21637	33.3
331.24249	6.0
335.23615	6.1
339.13470	8.6
343.22656	27.9
344.97476	8.1
349.25229	11.3
353.24741	4.9
359.23593	16.6
367.12659	5.8
367.26114	13.2
377.24670	47.0
384.71234	4.7
387.22934	7.4
395.25726	81.7
397.27472	8.0
399.25241	4.4
405.23975	17.1
413.26941	44.5
415.03644	7.2
423.25165	51.7
441.26306	70.7
459.27161	18.9
503.10199	6.1
536.23285	15.6
536.29694	90.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	14.1
60.08136	3.5
61.83389	3.1
67.05508	26.2
67.93541	2.8
69.07041	12.5
70.77280	4.1
70.77646	10.2
79.05481	22.9
81.03401	5.1
81.07046	49.9
82.89688	2.9
83.04952	6.6
83.08617	5.4
85.06503	3.2
86.09669	6.0
87.07737	3.2
91.05376	21.7
91.05928	3.6
93.07034	55.9
95.04958	10.6
95.08596	50.1
97.06514	7.6
104.10718	9.2
105.07018	66.3
107.08578	52.1
109.06486	6.4
109.10141	29.0
111.08022	6.7
111.11677	3.5
117.07017	18.4
119.08577	49.2
121.06498	6.9
121.10131	40.8
122.09630	4.9
123.08035	3.9
123.11701	8.4
124.99915	4.9
125.09634	3.3
128.06154	5.9
129.06932	17.3
131.08554	50.1
133.06483	5.9
133.10109	47.5
135.08124	4.9
135.11678	21.5
139.07579	3.7
141.06976	6.9
142.07745	14.9
143.08553	38.9
144.09299	5.5
145.10089	48.9
147.07999	8.7
147.11655	35.7
149.09612	10.5
149.13235	10.2
150.09094	18.4
151.07578	4.0
155.08543	30.7
156.09282	4.5
157.10107	67.1
158.10843	4.2
159.08029	4.1
159.11685	53.0
161.09554	8.1
161.13176	19.9
163.11163	6.8
163.14798	4.5
165.09103	3.4
167.05502	14.0
167.08481	3.6
169.10130	33.2
170.10902	3.3
171.11670	45.9
173.09566	14.8
173.13248	22.1
175.11150	11.4
175.14722	5.4
177.09128	6.2
177.12680	6.7
179.10645	3.5
179.14328	4.9
181.10081	3.9
183.11691	22.9
184.07321	13.3
184.12560	3.0
185.09622	4.4
185.13272	41.8
187.11169	11.7
187.14783	14.6
189.12692	8.8
189.16399	3.9
191.10643	4.7
191.14285	4.6
193.12326	3.7
195.11673	8.9
197.13243	24.2
199.14804	19.9
201.09039	4.8
201.12656	9.7
203.10646	7.2
203.14282	9.5
205.12222	11.0
207.11679	8.6
207.23416	3.4
208.68808	4.3
209.11618	8.3
209.13358	7.1
211.14871	7.4
213.12668	9.6
213.16273	4.7
215.10587	6.3
215.14348	9.3
217.12222	12.7
219.13744	4.4
223.14934	6.6
225.04381	3.7
225.12817	4.1
225.16531	6.8
227.14346	6.3
229.12230	5.9
231.13792	23.1
233.15309	4.1
237.10257	6.9
237.12584	4.3
239.13921	3.5
239.17989	4.5
243.13640	9.4
245.15379	6.4
249.10185	5.1
249.14709	5.2
251.11748	4.3
251.17938	10.2
253.09625	4.5
263.11774	4.9
265.09631	5.6
266.99866	4.9
271.14215	4.1
278.10303	5.4
279.11246	10.2
279.20993	27.0
281.22684	7.6
283.03082	4.2
289.09573	4.8
294.10077	5.1
297.22012	20.0
299.06104	30.3
299.58652	4.4
303.20822	3.8
307.20428	5.4
311.10184	5.7
312.10938	5.1
325.21548	52.5
326.12573	3.6
327.13239	5.6
335.10150	12.1
339.13376	51.6
343.22586	60.0
344.97757	3.5
349.25211	9.1
355.12814	11.9
359.23523	5.8
365.23367	6.7
367.12860	32.0
367.26270	7.7
377.24655	20.3
387.23157	4.6
395.25729	51.5
397.27246	7.9
405.24084	6.6
413.26703	39.0
423.25201	29.8
441.26120	28.8
459.26660	6.3
472.18570	10.7
476.21960	7.7
483.30753	6.5
503.11130	3.7
504.21179	100.0
505.21576	10.8
518.31152	6.0
529.59540	4.5
536.23505	9.3
536.31696	19.2
562.45807	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	536.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11743	0.2
50.78266	0.2
53.03927	0.4
55.01867	0.3
57.03422	0.9
58.55437	0.2
61.02911	1.3
63.02366	0.5
69.03416	2.8
70.15641	0.2
70.15929	1.1
71.05003	0.4
71.07698	0.2
73.02891	0.5
81.03398	1.4
85.02893	12.7
87.04449	0.3
89.03905	3.8
91.03933	0.7
91.05442	0.4
97.02883	3.9
99.04433	0.9
109.02886	1.0
111.04327	0.2
112.09162	0.2
117.03362	11.9
119.04897	0.3
121.02869	0.2
121.06461	0.4
125.06017	0.3
126.20777	0.2
127.03894	3.3
134.03578	1.2
135.04401	2.3
137.05963	0.6
145.02823	43.6
145.04918	5.0
146.03091	0.3
147.04356	1.0
149.05959	7.5
153.05463	0.5
162.03069	0.7
162.07594	0.3
163.03888	4.0
163.05965	1.7
163.07283	0.3
164.04260	0.3
167.05614	0.3
167.06984	0.3
177.05440	100.0
178.05742	1.1
179.85246	0.2
180.08644	0.8
186.05426	0.6
195.06499	65.8
196.06885	0.6
299.06006	0.6
330.68546	0.2
339.10446	0.4
409.92407	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
53.03933	2.0
55.01857	2.5
55.05505	0.6
56.83914	0.3
57.03430	4.1
59.04983	0.5
60.04501	0.4
61.02917	6.2
62.90291	0.3
64.82515	0.3
65.03935	0.6
69.03421	14.0
69.49892	1.9
69.50298	0.6
71.01369	0.5
71.04986	1.8
73.02898	2.3
79.05488	1.2
81.03408	5.8
83.01337	0.8
84.04536	0.5
85.02893	71.5
86.03236	0.4
87.04453	1.7
91.03944	4.0
91.05457	1.0
93.07008	0.5
95.04971	0.8
96.04500	0.3
97.02880	23.1
98.06023	0.5
99.04435	3.1
101.02393	0.7
103.03926	0.5
103.05456	8.0
105.07020	3.2
107.04938	10.8
107.08524	0.4
109.02866	6.5
111.04430	0.7
115.03918	1.0
115.05442	0.8
117.06962	0.6
118.56529	0.3
120.05698	0.7
121.06493	1.3
124.05213	0.6
125.05889	0.4
126.05511	0.6
127.03900	17.5
131.04892	1.8
131.08545	0.4
134.70937	0.4
135.08028	8.0
139.03888	4.4
140.30765	0.3
144.06537	2.3
145.04941	28.2
145.07399	0.6
146.05296	0.4
147.04399	0.5
148.05188	0.6
154.06226	39.8
156.06587	0.3
160.46637	0.3
162.07605	1.4
163.06012	13.1
163.07530	32.0
164.07881	0.5
165.05504	0.4
167.06985	1.9
171.21855	0.3
180.07657	2.7
195.10144	100.0
196.10541	1.5
207.13788	0.7
245.96837	0.3
289.09116	0.6
321.44009	0.4
324.12830	1.3
325.11014	0.5
379.31784	0.3
417.63922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
54.35579	0.5
55.01849	1.8
55.05513	0.6
57.03427	3.6
61.02918	4.8
65.40501	0.6
67.05482	0.7
69.03422	10.9
71.05005	2.5
71.32567	1.1
73.02920	2.6
79.05479	1.8
81.03407	6.0
81.07047	1.1
83.04933	0.8
85.02896	61.0
85.06570	0.8
87.04459	1.2
91.03959	3.0
91.05460	1.4
93.07027	2.3
95.04950	1.6
95.08601	0.9
97.02880	17.6
97.62612	0.5
99.04453	3.2
99.08073	1.1
103.05453	1.8
105.07027	4.1
106.07305	0.6
107.04942	32.6
107.08574	1.5
109.02860	5.4
109.06466	0.7
109.10129	1.7
114.05502	0.6
115.03909	0.9
115.05460	1.8
117.07045	0.6
119.08553	0.7
120.05704	0.6
121.10148	1.3
123.08061	0.7
125.09637	0.6
126.05431	0.6
127.03905	16.2
131.04875	0.5
133.06438	0.7
133.10124	0.9
135.07091	0.9
135.08037	12.5
137.05940	1.3
137.09607	0.8
144.06514	2.4
145.04944	27.3
147.04391	1.8
149.05931	0.6
161.09676	1.0
162.07632	0.8
163.06029	10.8
163.07524	39.9
164.07784	0.5
165.09096	0.6
166.89243	0.5
167.07011	3.6
177.05507	0.8
178.92491	0.5
179.10585	0.6
179.56592	0.5
180.07646	2.4
184.04457	0.7
195.10152	100.0
196.10512	1.3
207.10139	1.5
207.13716	0.6
211.16951	0.7
212.17258	0.8
219.10233	0.6
270.07608	1.2
299.06363	1.0
324.13037	1.3
490.32495	0.7
518.17804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.6
55.01846	1.8
55.05497	9.8
57.03419	4.2
57.07061	1.5
59.04984	1.5
65.03929	1.6
67.05487	14.0
68.80174	1.2
69.03417	49.5
69.07053	9.7
71.04976	5.2
71.59342	1.2
71.62829	2.4
73.02911	2.1
75.04477	2.1
76.86262	1.3
77.03905	2.5
79.05477	32.1
81.03408	22.6
81.07041	22.5
83.04969	5.4
83.08605	3.3
85.02889	14.7
85.06519	4.6
87.04436	1.4
91.05458	23.2
93.07028	89.5
95.04958	13.1
95.08585	17.8
96.08132	1.3
96.08922	1.7
97.02875	13.0
97.06504	5.8
97.10168	1.8
99.04439	5.4
103.05435	9.4
105.03371	2.1
105.04500	1.8
105.07009	35.5
106.07313	1.9
107.04948	5.4
107.07854	2.4
107.08573	33.3
108.08137	1.3
109.02860	9.8
109.06496	9.9
109.10139	13.5
110.09679	1.7
110.10478	2.6
111.04404	3.4
111.08064	5.6
113.06002	1.9
115.05451	1.9
116.06170	1.6
117.07006	4.1
119.04919	3.9
119.07778	2.1
119.08562	20.9
120.08089	2.0
120.08884	2.7
121.02824	3.3
121.06509	6.4
121.10127	100.0
122.10414	3.0
123.04430	11.0
123.08071	8.6
123.11673	6.9
124.12051	1.4
125.09618	5.9
127.03906	6.7
128.06218	1.9
129.06941	3.2
131.04909	33.7
131.08543	12.8
133.06464	5.7
133.07501	1.6
133.10115	24.7
134.10472	2.8
135.08023	3.9
135.11659	7.0
136.07555	1.6
137.05963	9.4
137.09596	16.1
138.09087	2.1
139.03902	1.9
139.11140	21.4
140.11458	2.1
141.05415	2.5
143.08536	2.7
145.00233	1.3
145.02919	1.4
145.04950	5.5
145.10129	7.1
146.10471	1.4
147.04353	14.2
147.08034	5.1
147.11668	16.3
149.05960	5.7
149.09593	61.9
149.13263	1.9
151.03891	1.6
151.07498	5.6
151.11174	2.7
153.09138	1.8
154.87967	1.3
156.09268	3.2
157.10129	4.2
159.08012	2.8
159.11690	6.8
161.05916	1.7
161.09627	5.0
161.13197	9.1
161.37013	1.6
163.03870	2.4
163.07452	1.5
163.11154	8.5
165.09067	3.9
166.08618	2.7
167.05566	1.5
167.06891	1.8
167.10652	12.5
169.04962	4.5
169.10147	2.3
171.11691	8.7
173.13240	3.6
174.10414	4.7
175.11172	4.2
175.14796	4.8
176.15190	3.2
177.05447	3.0
177.12715	3.2
179.06903	1.5
184.07306	2.7
189.12701	21.2
191.03474	1.9
207.13760	59.4
209.15370	1.7
215.14348	1.8
216.14624	2.0
225.14815	28.0
232.17917	1.8
249.10275	2.6
275.09164	2.3
277.09631	2.1
283.09845	1.7
293.10580	2.4
293.13776	8.9
299.06122	3.8
301.21548	5.3
302.21851	7.5
311.14850	13.7
319.22644	4.4
319.26205	1.9
320.22879	13.0
325.10599	1.6
337.23816	4.3
338.23999	10.5
351.09549	2.5
356.25281	1.8
383.24976	1.4
489.31931	3.7
535.32642	2.7
536.19934	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	535.2744
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
53.03926	0.6
55.01846	0.6
55.05490	1.8
55.94743	0.5
57.03412	1.0
61.02910	1.0
67.05220	0.4
67.05498	3.9
69.03138	0.4
69.03426	3.5
69.07064	3.0
70.54040	1.4
71.04972	1.2
73.02908	0.4
79.05466	1.3
81.03409	1.0
81.07041	5.0
83.04967	1.9
83.08591	2.3
84.66996	0.5
85.02414	0.6
85.02891	6.7
85.06516	1.2
91.03931	0.6
91.05455	1.0
93.07030	3.9
95.04939	1.0
95.08596	10.8
97.02869	2.4
97.06503	1.3
97.10156	0.6
99.08051	0.5
105.07011	2.8
107.08584	5.0
109.02875	1.0
109.06529	2.6
109.10144	18.4
111.08060	7.8
113.05965	0.5
117.06984	0.5
119.08565	10.1
121.06480	1.6
121.10129	6.4
123.08052	7.2
123.11694	3.6
125.09612	1.6
127.03891	1.3
131.08524	0.6
133.10118	8.9
135.07970	0.7
135.10667	0.7
135.11676	11.0
137.09604	18.2
137.13203	1.3
138.10344	1.3
139.11151	1.2
145.02838	0.9
145.04938	1.4
145.10097	0.8
147.04391	0.8
147.11673	2.4
149.13252	3.7
151.11198	1.0
151.14777	2.1
155.10553	0.6
161.09563	0.6
165.12766	2.9
165.16396	0.9
173.13246	0.7
175.14806	19.0
177.05406	1.2
177.12749	1.1
189.12701	0.9
193.15869	13.9
194.16216	0.5
211.16905	100.0
212.17256	1.3
213.79073	0.4
219.13850	0.8
221.08014	1.3
364.12341	0.5
471.30939	1.9
535.14252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05496	1.0
55.61171	0.5
57.03420	0.8
59.57357	0.5
59.66606	0.4
60.08146	1.6
61.69323	0.5
67.05495	3.3
69.03419	1.0
69.07039	0.8
71.04985	0.5
71.07341	0.9
71.31931	1.3
79.05482	2.0
81.03394	2.0
81.07051	4.3
83.04963	0.9
83.08607	1.2
85.02898	1.6
85.06512	0.5
86.09696	6.0
87.10030	1.8
91.05434	2.3
93.07038	3.0
95.04950	1.7
95.08601	2.6
97.06532	1.3
104.10732	1.9
105.07053	2.8
107.04935	0.7
107.08576	2.0
109.06532	0.7
109.10147	1.8
111.08034	0.6
117.07047	0.8
119.08566	3.1
121.10130	1.0
123.08068	0.6
124.99979	5.0
125.09628	1.0
126.00345	0.6
129.07011	1.1
130.69797	0.5
131.08549	1.5
133.10080	1.2
135.08063	0.6
135.11667	1.3
142.04079	0.6
142.07785	0.8
143.08505	0.8
145.10121	1.5
147.08017	0.7
147.11665	1.5
149.13237	0.6
157.10100	1.1
159.11656	1.4
163.11099	0.6
167.05501	0.7
167.61150	0.5
170.47264	0.6
171.11653	0.7
175.11258	0.6
184.07321	21.8
185.07646	3.9
185.13185	0.5
190.87993	0.5
191.10522	0.6
193.12221	1.2
213.73584	0.5
251.12518	5.8
267.09131	0.5
285.16983	1.2
299.06342	1.2
307.15179	5.9
386.21182	0.5
395.25208	0.6
472.03247	0.5
517.31140	3.2
535.28711	100.0
536.29041	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56842	0.3
52.08914	0.3
53.03945	0.5
55.01867	1.1
55.05506	1.2
57.03419	0.6
63.02372	0.5
65.03920	0.7
67.05495	1.4
69.03422	2.7
69.07048	1.6
70.06592	0.4
71.04977	0.4
71.62662	0.3
73.02905	6.7
79.05478	1.2
81.03423	2.1
81.07050	2.7
83.04973	0.9
83.08595	0.4
85.02895	3.0
85.06532	1.0
89.03897	6.2
91.05463	2.4
93.07029	2.2
95.04952	1.5
95.08609	2.6
95.79662	0.3
97.02863	1.4
97.06523	0.9
97.10172	1.0
99.04422	1.0
101.05943	0.4
101.91009	0.3
103.05460	0.4
105.03387	0.4
105.07012	2.4
106.04146	0.4
107.08572	2.0
108.02111	0.4
109.02866	1.3
109.06512	0.8
109.10128	1.9
110.03671	0.7
111.04404	0.7
111.08101	0.8
115.03958	0.4
115.05402	0.4
117.03359	21.2
119.04901	1.4
119.08543	2.2
119.93637	0.3
121.02858	1.9
121.06478	1.1
121.10151	2.3
121.84025	0.3
123.08077	0.7
123.11692	1.0
125.05979	6.5
125.09621	0.7
127.03893	1.8
129.07086	0.4
131.04883	0.6
131.08551	0.8
133.10080	1.6
134.03624	1.0
135.04402	1.9
135.08038	0.9
135.11682	0.9
137.05948	1.5
137.09622	0.8
139.03876	1.1
140.04218	0.6
141.05388	0.4
143.08514	0.7
143.10626	0.4
145.02821	50.2
145.10098	1.1
146.03166	0.7
147.04364	2.2
147.08025	0.5
147.11630	0.8
149.02287	0.8
149.04779	0.5
149.05957	8.1
149.13217	0.4
151.03880	20.2
151.04965	1.0
151.07506	0.9
151.11153	0.4
153.01787	0.6
155.10652	0.6
157.10056	0.4
158.05977	0.4
159.11688	0.9
161.09581	0.7
161.13228	0.7
162.03218	0.5
163.03888	1.3
163.11142	0.7
165.12738	0.7
167.10669	0.6
171.11717	0.4
173.13264	0.5
175.03880	1.0
175.11145	0.4
175.14793	0.5
177.05440	100.0
178.05760	1.5
179.06995	6.5
185.13208	0.4
186.05440	1.4
187.11147	0.4
187.14761	0.3
189.12695	1.4
191.10548	0.4
191.14268	1.0
192.14714	0.4
195.06432	1.6
197.08064	27.7
203.14198	0.8
207.06465	2.6
219.13921	0.4
241.11470	0.4
261.07480	0.5
273.07486	1.1
287.05304	1.3
291.23004	0.4
301.21463	0.7
307.22443	0.4
319.22562	1.2
321.09680	2.5
337.23645	0.7
339.10709	7.8
443.31219	1.6
445.25259	0.4
471.30942	1.4
489.31958	3.3
517.31830	0.5
521.16846	0.5
535.19104	0.5
535.26477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
53.17215	0.3
55.01860	1.1
55.05502	0.9
56.31445	0.3
57.03413	0.7
60.03499	0.3
61.02905	0.4
63.02368	0.4
65.03929	0.6
65.09611	0.3
66.53481	0.3
67.05491	1.3
69.03416	3.0
69.07048	1.0
71.04973	0.7
71.21521	0.3
71.21836	0.4
73.02902	5.6
78.04671	0.4
79.05470	1.2
81.03401	2.3
81.07027	1.9
83.03957	0.2
83.04942	0.7
83.08617	0.6
85.02872	2.1
85.06531	0.9
89.03890	6.9
91.05470	2.2
93.07018	2.0
95.04966	1.3
95.08582	1.5
97.02879	1.3
97.06530	0.5
97.10149	0.7
99.04436	0.7
99.08045	0.4
103.05444	0.3
105.03364	0.4
105.06985	1.8
106.04152	0.3
107.04951	0.5
107.08559	1.4
108.02080	0.3
109.02857	0.9
109.06536	0.6
109.10118	1.7
110.03640	0.4
111.04436	0.7
111.08043	0.6
111.58002	0.2
117.03352	19.6
117.06959	0.4
119.04918	1.5
119.08533	1.6
121.02831	1.1
121.06470	0.5
121.10110	1.7
123.04421	0.5
123.08037	1.1
123.11690	0.8
125.05965	6.9
125.09582	0.9
127.03910	1.6
127.07468	0.4
131.08505	0.4
133.10098	1.6
134.03598	1.4
135.04390	1.6
135.08046	0.7
135.11682	0.8
136.43733	0.3
137.05952	1.1
137.09584	0.8
139.03851	0.8
139.07506	0.4
139.11180	0.6
141.05437	0.4
143.08534	0.3
143.10645	0.4
145.02811	48.8
145.10098	1.2
146.03157	0.8
147.04367	2.3
147.11615	1.0
149.02328	1.0
149.05940	7.5
149.09608	0.7
149.13226	0.3
151.03871	21.1
151.04964	1.0
151.07513	1.0
151.11240	0.3
153.01801	1.5
153.09081	0.3
153.12773	0.3
155.10617	0.9
158.05994	0.5
158.32297	0.3
159.11636	1.0
161.09598	0.7
161.13283	0.5
162.03137	0.6
163.03897	0.8
163.11174	0.6
165.12677	0.6
167.07054	0.5
167.10707	0.4
170.54315	0.3
171.02832	0.9
171.11600	0.7
173.11809	0.4
173.13240	0.6
175.03864	1.1
175.11217	0.4
177.05428	100.0
178.05771	1.1
179.06995	5.4
185.11728	0.3
186.05450	1.8
187.11148	0.3
187.14789	0.7
189.12657	0.7
191.14270	0.8
192.14645	0.5
195.06418	1.0
197.08052	27.3
201.49339	0.3
207.06442	2.2
209.11635	0.3
273.07520	1.6
287.05377	1.9
301.21613	0.4
319.22580	1.2
321.09656	2.8
337.23770	1.4
339.10693	8.3
340.11014	0.4
355.24661	0.5
389.69064	0.3
463.26996	0.5
471.30566	0.3
489.32037	1.5
535.33130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01861	0.4
55.05502	0.9
57.03426	0.6
60.28442	0.3
63.02362	0.4
67.05484	0.5
69.03416	1.9
69.07038	0.4
70.57650	0.5
71.04984	0.4
72.08147	1.5
72.66215	0.2
73.02900	2.1
77.03938	0.3
78.04649	0.3
79.05470	0.6
81.03401	3.1
81.07034	1.7
83.04993	0.5
83.08600	0.3
84.08136	0.4
85.02876	1.5
85.06512	0.5
89.03889	4.6
91.05467	0.8
93.07022	1.0
95.04957	0.6
95.08581	1.1
97.02863	0.8
97.06500	0.4
98.09686	0.8
99.04430	0.7
99.10003	0.3
105.07000	1.7
106.04128	0.4
107.08581	1.2
109.02847	1.4
109.06486	0.6
109.10111	0.9
110.03599	0.3
111.08082	0.4
117.03352	14.4
119.04902	0.7
119.08546	1.2
121.02835	0.5
121.06519	0.6
121.10086	1.1
123.08020	0.5
123.11693	0.3
125.05973	2.9
125.09579	0.6
127.03880	1.0
131.08571	0.5
133.10100	1.0
134.03607	1.0
135.04369	0.9
135.11661	0.5
135.27579	0.3
136.07559	0.4
137.09579	0.5
139.11166	0.3
143.08537	0.3
145.02817	44.2
145.10060	0.6
146.03171	0.5
147.04327	0.8
147.11610	0.5
149.05949	5.6
149.09496	0.5
151.03871	7.7
151.05052	0.3
151.07382	0.3
151.11192	0.4
159.11671	0.6
161.09579	0.4
163.03918	0.7
167.10716	0.3
171.11694	0.3
173.13261	0.4
175.14925	0.3
177.05434	100.0
178.05687	1.3
179.07027	2.4
185.13185	0.3
186.05383	1.4
189.08998	0.4
191.14256	0.5
195.06470	1.6
197.08054	10.4
211.16829	0.8
215.14389	0.3
249.13266	0.3
288.50168	0.3
298.84509	0.3
301.21390	0.4
319.22537	0.8
321.09625	4.8
337.23621	0.3
339.10678	9.4
449.81665	0.4
471.30923	0.5
489.31506	0.6
507.26312	1.6
535.17462	0.4
535.32196	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
55.05494	10.4
67.05499	17.3
67.31274	3.2
69.07050	11.5
69.55582	26.1
69.55976	4.2
71.04979	6.4
79.05467	15.7
81.07041	47.8
83.08607	5.0
84.99519	2.9
85.06526	19.8
86.09670	3.4
89.37227	3.2
90.66518	2.5
91.05465	14.8
93.07039	39.3
95.04930	5.0
95.08586	100.0
97.06546	6.2
97.10132	3.7
98.20824	4.8
99.08001	3.0
105.07013	57.9
105.67765	3.0
107.08575	60.0
107.36770	3.1
109.10138	42.2
113.09629	48.4
114.02390	2.8
117.06999	13.5
119.08556	54.2
121.06546	3.5
121.10126	40.8
123.08073	4.4
123.11677	14.8
124.99973	4.2
128.06169	3.0
129.06967	15.8
131.08539	45.8
133.10112	70.3
133.42906	3.2
135.11678	25.9
137.13219	5.6
142.07741	7.0
143.08533	33.8
144.09274	3.4
145.09015	5.3
145.10094	65.5
147.08011	4.1
147.11662	51.4
149.09644	4.7
149.13223	28.3
155.08511	8.6
157.08932	5.2
157.10132	55.4
159.11668	59.4
161.09627	5.3
161.13261	30.7
163.11111	4.9
163.14789	11.3
165.12639	3.6
169.10086	7.8
171.11632	31.4
173.13239	26.1
175.11119	6.0
175.14848	24.3
177.16359	11.9
183.11655	10.9
184.07307	9.7
185.13275	29.6
187.14803	43.4
189.12706	5.2
189.16374	27.3
191.10608	6.8
191.17911	6.4
193.15939	5.7
195.11636	5.4
197.13208	9.2
199.11134	4.1
199.14749	23.9
201.16370	14.9
203.14307	8.2
203.17891	7.1
205.15829	13.0
207.17392	22.2
209.13319	4.5
211.14819	5.2
213.16440	4.6
215.14255	8.0
215.17863	8.0
217.12100	5.9
217.15872	10.9
217.19444	6.0
219.13885	5.5
219.17387	16.7
221.19000	3.9
229.19487	5.2
231.13737	15.1
233.15312	10.9
233.18993	12.7
245.15324	11.6
249.14796	3.9
253.19203	4.2
261.22144	3.6
267.21063	5.7
271.20541	4.8
281.22525	3.8
296.06348	3.8
313.21683	3.7
327.23239	3.8
365.28226	6.2
372.60974	3.7
375.30286	6.1
393.31464	83.7
395.33038	11.1
403.29654	6.2
411.32510	93.3
421.30923	68.1
439.32010	92.9
457.33109	50.1
534.37549	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	534.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10711	2.9
51.81118	3.4
51.94249	3.3
52.56897	3.1
55.05508	20.3
56.80930	2.9
57.03442	4.8
57.07037	7.4
66.06698	3.5
67.05492	50.8
69.06705	5.3
69.07055	62.6
70.52742	13.3
71.04955	5.3
79.05479	23.6
79.91457	3.0
81.07043	60.5
82.07379	4.1
83.08626	16.1
85.02834	2.9
85.06536	4.8
91.05468	23.3
93.07018	47.7
94.07331	4.3
95.04945	7.5
95.08591	64.6
97.06501	7.3
97.10146	4.3
105.07007	62.9
107.08569	61.7
109.06473	9.1
109.10136	91.8
110.10528	3.4
111.08043	6.6
113.05984	5.2
117.07009	15.4
119.08557	60.8
121.06432	5.7
121.10122	44.5
123.08033	6.9
123.11697	19.4
125.09616	4.0
129.06973	12.2
131.08536	29.1
133.10097	62.2
135.08043	10.4
135.11658	24.3
137.09569	5.6
137.13252	4.8
139.07507	6.5
141.07008	3.1
142.07677	3.5
143.08530	21.5
145.10088	45.4
146.10634	3.7
147.08051	8.0
147.11668	52.6
149.09598	9.5
149.13228	12.1
155.08524	9.9
157.10078	27.2
159.08095	4.0
159.11688	33.3
161.09627	8.3
161.13260	20.9
162.13609	3.1
163.11118	8.5
163.14807	6.4
164.11357	3.5
165.09151	3.3
167.08566	4.4
169.10161	15.5
171.11658	20.7
173.09602	9.5
173.13240	24.4
175.11111	9.5
175.14766	9.9
181.10097	5.5
181.12251	4.8
183.11713	16.7
185.09654	6.2
185.13210	14.2
187.11197	8.0
187.14809	11.0
189.12694	14.6
189.16367	25.0
191.14175	8.1
195.11673	9.9
197.13234	10.8
199.11192	8.7
199.14767	9.9
201.12718	8.5
201.16350	10.3
203.14236	5.4
203.17924	9.5
205.19493	4.0
207.11703	4.5
207.13794	8.1
209.13205	10.6
209.15202	4.6
211.14679	6.9
213.12743	6.2
213.16331	11.9
215.10518	4.4
215.14362	4.7
215.17900	7.5
217.12196	10.8
217.19621	4.2
219.13753	8.1
221.13217	4.7
223.14771	9.0
225.12697	5.7
225.16449	6.9
227.14310	7.7
231.13774	4.4
233.15274	6.3
235.13120	6.2
237.16460	5.6
239.17917	6.5
241.15724	4.5
243.13783	4.2
249.16370	4.5
251.14122	4.4
251.17986	7.7
257.15219	5.1
261.14755	4.8
265.19424	3.9
269.15335	17.9
283.20523	4.3
287.16425	10.5
293.18964	4.0
295.20599	4.6
295.24045	6.9
297.18451	8.1
309.18515	6.1
311.20047	17.8
329.21091	5.8
339.23096	37.9
357.24170	18.0
365.24487	7.5
393.31015	9.6
395.29160	5.1
403.29980	6.2
411.31967	3.8
421.30914	74.0
439.31967	100.0
457.32919	12.0
534.37891	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	534.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82874	1.4
53.03925	1.9
55.05505	14.8
57.03426	8.5
57.07060	8.1
60.08151	16.9
61.02911	4.5
65.03925	1.8
67.05490	52.8
68.43732	1.6
69.07057	24.4
71.04980	3.1
71.07346	5.6
71.08617	3.8
71.23033	3.0
71.23392	1.6
79.05472	17.0
81.03434	1.6
81.07039	69.7
82.07372	1.8
83.04960	3.7
83.08598	15.5
83.53477	1.4
85.02901	3.0
85.06516	5.1
85.10163	3.6
86.09688	49.3
91.03933	2.4
91.05447	15.4
93.07023	26.8
95.04971	3.2
95.08589	71.5
97.06512	6.0
97.10159	9.8
97.10696	1.5
97.53735	1.5
98.98453	4.5
99.08059	1.7
101.82348	1.5
104.10723	100.0
105.07011	25.5
106.07873	1.5
107.08577	23.6
109.06509	2.1
109.10137	34.8
111.08057	4.2
111.11671	3.1
113.09601	9.5
117.07017	4.0
119.08560	21.8
121.06472	2.2
121.10115	24.8
123.08077	4.0
123.11674	20.3
124.99972	25.6
125.09608	2.4
129.06993	4.7
131.08545	12.6
133.10107	27.3
135.11668	20.4
137.09596	1.9
137.13226	6.0
139.11131	2.1
141.12706	2.6
143.08557	8.6
145.10077	19.1
147.11652	26.4
149.09589	1.6
149.13232	9.5
151.14818	4.8
153.12764	2.4
155.08585	1.8
155.14296	3.7
157.10135	11.2
159.11644	16.3
161.09558	2.5
161.13239	21.7
163.14783	8.7
165.16350	4.7
171.11623	8.1
173.13229	11.4
175.11041	1.8
175.14781	13.0
177.12769	2.1
177.16347	8.7
179.14302	2.0
179.17921	3.5
181.10069	1.7
183.11684	2.9
184.07309	83.7
185.13251	6.1
187.14781	19.0
189.12816	2.1
189.16345	19.8
191.18025	3.2
199.14775	5.1
201.16365	7.6
203.14349	2.0
203.17863	3.8
207.17471	2.1
209.13116	1.5
215.17938	3.1
217.15660	2.1
219.17430	1.7
231.13776	4.5
245.15399	2.0
245.22595	40.0
263.23666	57.5
299.40417	1.8
337.27310	37.1
355.28464	7.2
375.30408	2.4
393.31482	12.6
403.30005	2.9
411.32755	8.9
421.30933	21.6
439.31918	22.5
457.32941	3.7
499.33273	1.9
516.34412	6.1
534.35333	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	534.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05506	19.7
56.05851	2.3
57.03424	3.0
57.07068	9.7
61.02913	5.5
65.03916	2.5
67.05496	73.5
69.03405	4.5
69.07055	25.6
69.48841	18.3
71.04984	2.5
71.08612	7.7
74.09731	2.1
79.05485	21.9
81.07047	90.2
83.04973	5.0
83.08610	22.2
85.02889	6.0
85.06525	6.6
85.10152	3.5
86.09698	4.4
87.04425	2.6
89.06019	5.5
91.03964	3.6
91.05469	20.6
93.07039	33.1
95.04941	4.1
95.08596	83.4
97.06493	7.9
97.10165	14.4
98.20762	4.5
99.04435	2.0
99.08064	4.0
104.10725	9.2
105.07023	24.4
107.08577	25.9
109.06492	2.2
109.10144	43.5
111.08057	6.9
111.11684	5.5
113.09655	3.6
115.53693	1.8
117.06989	3.9
119.08560	25.8
121.10137	27.0
123.08063	2.6
123.11716	22.4
125.09590	3.5
127.11128	2.3
128.06154	2.0
129.06996	2.9
131.08556	10.6
133.08595	3.4
133.10110	22.9
135.11664	15.6
137.09613	2.8
137.13240	9.0
141.12772	2.8
143.08556	5.9
145.10115	13.8
147.11659	14.3
149.13228	14.3
151.14792	5.8
155.08495	2.6
157.10135	8.9
159.11649	10.0
161.09576	2.6
161.13251	18.7
163.14815	11.7
165.16380	10.4
171.11650	6.2
173.13235	6.6
175.11194	2.0
175.14821	14.2
177.16353	5.4
179.14323	2.3
179.17897	9.9
183.11671	2.4
184.07339	8.5
185.13185	6.6
187.14755	7.9
189.16443	9.3
193.15852	3.1
199.14818	5.3
201.16338	5.1
203.17961	4.4
213.16339	2.4
215.18092	3.5
217.12180	2.1
227.20047	22.9
228.20209	2.6
231.13792	4.5
233.15324	2.5
234.63049	2.0
245.22627	60.8
262.34753	3.2
263.23676	100.0
337.27332	44.8
340.67990	2.3
355.28329	6.1
375.30795	3.0
383.95166	2.0
393.31412	4.7
411.32712	3.4
414.04739	1.9
421.30676	11.1
439.31918	9.0
534.35748	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29862	0.1
55.05503	0.2
56.05024	0.5
58.06308	0.1
58.06623	0.6
59.07398	0.1
60.08154	5.5
67.05496	0.4
69.03397	0.2
69.07055	0.2
70.22471	0.4
71.07359	2.8
73.63906	0.1
79.05512	0.5
80.97446	0.1
80.99151	0.1
81.03405	0.2
81.07060	0.6
81.66289	0.1
85.02873	0.2
86.09692	28.3
91.05471	0.4
93.07027	0.7
95.04934	0.1
95.08600	0.5
97.06530	0.3
98.98444	2.4
103.96894	0.1
104.10728	3.0
105.07001	0.3
107.08582	0.5
109.06495	0.1
109.10148	0.3
117.07001	0.2
119.08547	0.5
121.10159	0.2
124.99984	19.0
131.08575	0.2
133.10141	0.3
135.11656	0.1
143.01028	0.4
145.10194	0.2
147.04417	0.2
147.11684	0.2
161.13283	0.2
169.10065	0.1
173.13304	0.1
184.07312	100.0
185.07654	0.7
185.13174	0.1
191.03316	0.4
192.03726	0.1
204.18190	0.1
209.11682	0.1
215.73904	0.1
238.22255	0.1
258.10910	0.2
453.30154	0.2
498.29501	0.9
499.30429	0.3
516.30756	7.1
517.31177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
55.05502	1.0
56.05020	1.6
57.03435	0.3
57.07053	0.3
57.39581	0.3
58.06576	1.4
59.07378	0.4
60.08153	17.5
67.05491	2.2
69.03426	0.6
69.07052	1.3
69.32512	1.7
69.32933	1.4
70.06567	0.2
71.07361	6.8
73.02904	0.4
79.05479	2.1
81.03423	0.4
81.07037	3.1
83.04949	0.3
83.08595	0.8
85.02890	0.7
86.09690	52.9
87.10017	0.9
90.69216	0.3
91.05468	2.7
92.28863	0.2
93.07031	3.1
94.70237	0.3
95.04959	0.5
95.08602	2.4
97.02858	0.5
97.06525	0.9
98.21490	0.7
98.98452	3.3
104.10726	100.0
105.07018	2.4
105.11036	0.7
106.07352	0.3
107.04959	0.4
107.08556	1.6
109.10158	1.0
117.07010	0.9
119.08540	2.1
121.10133	1.3
123.04376	0.4
123.11646	0.4
124.99980	29.6
125.79838	0.3
127.03951	0.3
131.08545	1.0
133.10124	1.3
135.07964	0.3
135.11676	0.6
139.03853	0.3
139.11110	0.3
143.01028	0.7
143.08604	0.5
145.10103	0.6
147.04355	0.4
147.11656	0.8
149.13179	0.4
157.10040	0.6
159.11679	0.7
161.13220	0.5
163.01534	0.7
163.03815	0.4
171.11646	0.5
173.13326	0.5
173.41986	0.3
184.07307	97.8
185.07677	2.0
186.07742	1.3
191.03357	1.0
204.30872	0.3
219.10133	0.4
224.76877	0.3
258.10919	0.7
267.37518	0.3
355.28204	0.4
411.21558	0.3
498.29761	6.5
499.30130	0.5
516.30756	49.2
517.31006	2.1
534.31891	0.9
535.29083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05020	0.5
57.03425	0.3
58.06605	0.5
60.08155	7.2
66.34197	0.2
67.04842	0.1
67.05481	0.8
69.07054	0.5
69.97633	0.4
69.98042	0.5
70.06557	0.2
71.07362	2.7
71.08629	0.3
73.02921	0.2
78.53217	0.2
79.05487	0.8
79.51254	0.2
81.03423	0.3
81.07053	1.3
83.04948	0.3
83.08601	0.2
85.02892	0.3
86.09694	31.2
86.44666	0.2
90.38972	0.1
91.05460	0.5
93.07014	1.0
95.04972	0.4
95.08588	0.7
97.02895	0.2
97.06527	0.5
97.10149	0.2
98.98450	2.6
99.08115	0.2
104.10732	12.6
105.07035	0.7
107.08584	0.6
108.54424	0.2
109.10146	0.4
119.08579	0.4
121.02886	0.2
121.06543	0.2
121.10123	1.1
123.04449	0.5
124.99989	20.9
126.00323	0.2
127.03928	0.2
128.39270	0.2
131.08534	0.2
133.10097	0.3
139.77174	0.2
143.01062	0.5
145.05031	0.2
145.10117	0.3
147.11674	0.2
149.13292	0.2
157.10103	0.2
161.46315	0.2
166.02611	0.2
184.07315	100.0
185.07632	0.5
185.13287	0.3
191.03397	0.7
191.17926	0.2
192.03687	0.5
194.42726	0.2
201.09122	0.2
205.04926	0.4
205.19514	0.2
219.69969	0.2
228.41328	0.2
258.11060	0.3
290.36337	0.2
302.20108	0.2
372.18707	0.3
481.28815	0.2
516.30743	2.1
517.23529	0.2
517.31104	0.3
534.31927	10.4
535.33142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02595	0.2
55.05496	0.8
56.05018	1.1
57.03424	0.4
58.06563	1.3
60.08155	16.0
61.02872	0.3
63.39063	0.2
63.60573	0.3
67.05496	2.5
68.54359	0.3
69.03410	0.4
69.07046	1.0
69.42091	2.7
71.07367	5.5
71.08615	0.9
73.02901	0.8
79.05482	2.0
81.03416	0.5
81.07043	3.9
82.95715	0.3
83.04980	0.4
83.08622	0.5
85.02890	0.9
86.09693	50.0
91.05458	1.1
93.07030	2.1
95.04964	0.4
95.08588	2.5
97.02867	0.9
98.98452	3.7
99.08084	0.8
104.10728	100.0
105.07030	1.5
105.11079	0.6
107.08594	1.5
109.10120	1.6
119.08571	0.8
121.09402	0.3
121.10123	1.5
123.11646	0.6
124.99984	27.1
127.03931	0.7
129.06956	0.4
131.08556	0.6
133.04907	0.4
133.10098	0.7
135.11667	1.1
139.03868	0.5
145.04944	0.7
145.10101	0.7
147.11633	0.4
149.02318	0.7
149.13229	0.4
151.11188	0.3
157.10086	0.3
159.11636	0.3
163.01486	0.8
179.14377	0.9
184.07315	91.5
185.07712	0.6
191.03334	0.3
193.05096	0.4
205.19452	0.3
238.56511	0.3
242.88516	0.3
255.67020	0.3
258.11057	1.0
303.66031	0.3
351.25143	0.6
381.80756	0.3
386.07770	0.4
421.27307	0.3
516.30792	6.2
517.16949	0.6
534.31848	50.5
535.32343	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63019	0.4
53.03918	0.9
55.01844	1.4
55.05504	3.5
57.03418	1.3
57.07056	1.0
58.13368	0.4
59.04993	0.7
61.02900	1.1
65.03920	1.4
65.18228	0.4
67.05490	4.5
69.03424	4.7
69.07054	6.0
71.04977	2.4
71.62009	0.5
73.02895	1.5
79.05479	5.0
81.03404	2.4
81.06570	0.9
81.07038	11.2
83.04966	2.0
83.08598	2.2
85.02890	17.9
85.06511	1.5
87.04430	0.7
91.03963	0.5
91.05463	14.3
92.05780	0.5
93.07025	8.8
95.04947	2.7
95.08593	13.6
96.08885	0.5
96.40270	0.5
97.02887	4.9
97.06506	1.9
97.10125	0.6
99.04437	1.7
99.08072	1.1
103.05450	2.1
104.06285	0.4
105.07011	22.3
107.04934	0.9
107.08575	23.6
109.02850	2.1
109.06490	2.1
109.10139	7.2
111.04458	0.7
111.08081	1.2
113.05927	0.5
115.03929	0.6
115.05447	0.6
117.06995	5.7
119.04934	2.3
119.08560	100.0
120.08070	2.0
120.08860	0.8
121.02836	1.4
121.06491	1.2
121.10117	8.7
123.04406	1.2
123.08038	1.0
123.11678	1.7
125.09634	0.9
127.03908	4.8
127.11140	0.7
130.06537	0.7
131.04919	0.7
131.08577	3.0
133.10107	13.1
135.08060	1.7
135.11653	3.0
137.05904	1.4
137.09595	2.1
137.13214	0.5
139.03867	0.6
139.11182	0.8
143.08597	1.1
145.02840	1.4
145.04933	9.9
145.06218	0.5
145.06529	0.4
145.10112	3.6
147.04370	9.2
147.08055	1.1
147.11652	4.7
148.04727	0.9
149.05998	0.9
149.09630	1.5
149.13246	0.7
151.11154	1.5
153.12753	0.5
155.10699	0.6
157.10075	1.1
159.08031	0.6
159.11693	1.7
161.06042	0.7
161.09593	1.5
161.13272	1.4
163.03902	0.8
163.06010	5.4
163.07379	0.8
163.11139	1.0
165.05392	0.8
165.09091	1.6
171.11627	0.6
173.13197	2.3
175.11110	1.0
175.14796	37.7
177.05482	2.3
177.16373	1.0
181.12303	0.4
185.13263	0.5
187.14786	1.4
189.09137	0.6
189.12685	0.8
189.16348	0.5
191.03401	1.7
191.10724	0.6
191.14284	0.9
192.03700	1.3
193.12114	0.5
193.15956	0.8
197.11682	0.5
199.14688	0.6
205.12280	0.5
205.15871	2.5
209.15320	0.6
215.03426	0.5
221.08115	1.3
223.16896	0.6
227.16316	0.7
229.06178	0.5
244.09619	0.8
267.95343	0.4
268.65781	0.5
283.20554	1.0
289.09015	0.7
301.21512	3.9
310.07715	0.6
319.22598	6.8
319.26031	0.8
325.11273	2.0
337.23679	3.8
348.16959	0.9
355.24884	1.2
376.16705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
54.24489	0.7
55.01852	3.2
55.05495	1.7
57.03432	8.3
61.02918	10.0
67.05487	2.0
67.86213	0.7
69.03418	30.0
69.07056	6.8
69.87179	3.9
69.87585	1.2
71.01331	0.8
71.04973	3.6
73.02907	3.5
79.05479	1.9
81.03403	12.5
81.07030	2.9
83.01326	1.3
83.04954	1.0
83.08592	1.6
85.02891	94.2
86.03227	0.6
87.04459	3.9
91.03945	4.8
91.05466	4.5
93.07023	4.0
95.04969	6.3
95.08580	4.6
97.02877	30.2
97.06490	3.8
98.20739	1.2
99.04440	7.8
99.08031	0.7
105.07003	3.4
107.08576	5.2
109.02865	11.8
109.06517	3.4
109.10134	1.8
111.04414	0.9
115.03886	0.9
119.04922	5.8
119.08543	3.9
121.02843	3.0
121.06483	2.1
121.10139	3.3
122.07259	3.8
123.08046	21.1
123.08949	1.3
123.11662	1.2
125.09651	1.0
127.03893	25.6
131.08551	1.8
133.10109	6.0
134.60709	0.7
135.08031	28.0
135.11653	4.1
137.09619	2.4
145.04936	32.9
145.10069	1.3
147.04384	29.5
147.11674	3.4
148.08838	1.6
149.09608	1.7
149.13242	1.0
161.09578	0.9
163.06020	6.6
163.14867	1.3
165.05458	1.3
165.12727	20.8
171.06479	1.9
173.13200	0.9
175.14807	3.9
176.11940	3.1
177.12691	0.9
189.07561	2.5
191.14278	100.0
192.14546	0.6
193.15854	12.9
207.13785	3.6
209.15327	17.6
268.34799	0.8
277.06934	0.6
291.08621	1.3
309.09561	2.1
309.16873	1.1
353.19672	3.2
371.20596	10.1
451.28586	0.9
515.30151	0.9
533.25842	43.0
534.26105	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.1
55.01850	4.8
55.05504	34.3
57.03418	17.1
57.07056	10.9
65.03938	4.9
65.69086	3.5
67.05165	6.6
67.05497	99.8
69.07056	31.3
71.04967	8.9
79.05479	69.5
81.03412	20.5
81.07048	93.1
83.04961	9.8
83.08610	20.7
85.06512	6.4
88.64339	3.8
91.05474	41.1
93.07030	80.2
95.04945	9.3
95.08588	66.0
97.06513	10.7
97.10137	11.5
98.21613	6.7
102.05225	3.6
105.07012	39.7
107.08578	51.4
109.06498	6.6
109.10137	32.9
109.15243	4.0
110.63515	3.4
111.08060	7.0
117.06997	12.5
119.08570	31.4
119.61535	3.4
121.10134	36.2
123.11690	9.7
129.06984	9.6
131.08546	19.6
133.10092	26.3
135.11684	60.2
143.08560	6.9
145.10095	24.2
147.11655	14.7
149.13210	11.0
151.11105	6.9
155.08504	5.8
157.10106	7.8
159.11685	15.2
161.13232	11.6
163.11192	6.6
163.40646	3.6
169.10100	5.1
171.11702	7.4
173.13235	10.5
175.14725	4.1
181.12199	14.9
183.11684	4.2
185.13220	4.3
187.14844	7.2
193.12181	7.9
199.13127	4.7
199.14838	4.9
227.12758	4.5
253.14291	5.3
255.15826	57.2
259.20538	4.8
261.22104	26.9
335.25748	36.3
405.31610	5.2
423.32361	10.3
432.68271	3.4
441.33441	11.8
459.34695	6.3
515.37256	100.0
533.37915	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	533.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.2
53.03934	0.3
55.01851	0.3
55.05490	0.7
56.84081	0.2
57.03407	0.3
57.07045	0.2
57.28384	0.2
65.03911	1.2
66.05788	0.2
67.05490	1.8
69.03065	0.3
69.03415	3.9
69.07037	0.9
70.81644	0.3
70.81985	0.3
71.04977	0.6
79.05466	1.1
79.87129	0.2
81.03402	2.2
81.07048	2.1
83.04952	0.6
83.08612	0.4
85.02886	1.7
85.06552	0.3
91.05459	8.3
93.07023	1.8
95.04937	1.1
95.08582	1.8
97.02850	0.9
97.06518	1.0
97.10096	0.3
99.04441	0.8
101.05945	0.2
103.05404	0.3
105.07008	2.8
107.04935	0.3
107.08562	1.6
109.02872	0.9
109.06495	1.1
109.10117	1.1
111.08065	0.6
113.06003	0.2
119.04919	21.0
119.08557	2.0
121.06474	0.6
121.09344	0.2
121.10116	1.5
123.04417	1.9
123.08072	0.9
123.08873	0.2
123.11650	0.3
125.09593	0.4
127.03880	0.8
128.06215	0.2
128.10439	0.2
131.04892	0.7
131.08495	0.4
133.06454	0.5
133.10100	2.7
135.07951	0.2
135.11650	0.6
137.05977	0.6
137.09586	1.9
139.03850	0.2
139.11172	1.6
143.08510	0.3
145.10109	1.0
147.04381	100.0
147.11655	2.4
148.04739	0.9
149.09610	0.9
151.07507	0.5
151.11154	0.2
153.09007	0.2
156.09332	0.3
157.10039	0.2
159.08035	0.4
159.11684	0.4
161.09625	0.4
161.13246	1.3
163.03891	0.7
163.11147	0.7
163.14781	0.2
165.05446	4.9
165.06847	0.3
165.09105	0.4
165.12758	0.3
167.06950	0.2
171.11655	0.8
173.13213	0.7
174.10429	0.3
177.05414	0.5
179.10771	0.4
179.14149	0.2
187.07465	0.2
189.09058	0.2
189.12704	2.4
191.03397	0.6
191.14316	0.4
201.09152	0.2
203.17819	0.3
203.34067	0.2
207.13759	7.7
215.03465	0.2
219.10057	0.3
225.14775	3.2
233.15286	0.2
288.62601	0.2
291.08569	2.9
291.15805	0.2
309.09674	4.5
309.13129	0.4
317.74442	0.2
353.17313	0.3
379.71838	0.2
515.30200	0.3
533.31201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01866	0.4
55.05495	0.8
57.03422	0.5
57.07061	0.3
61.02916	0.2
65.03915	1.0
67.05486	1.5
69.03416	4.5
69.07056	1.2
71.04987	0.9
71.62608	0.3
73.02902	0.3
79.05470	1.3
80.00598	0.1
81.03409	2.4
81.07037	1.8
83.04952	0.7
83.08624	0.2
85.02890	2.0
85.06518	0.3
91.05465	9.4
93.07036	2.3
95.04953	1.4
95.08589	2.2
96.01038	0.2
97.02876	1.1
97.06506	1.5
97.10156	0.3
99.04417	0.5
99.08085	0.2
103.05446	0.6
105.03333	0.2
105.07012	3.2
107.04926	0.4
107.08573	2.1
109.02860	1.1
109.06498	1.1
109.10145	1.3
111.04384	0.3
111.08033	0.7
113.89650	0.2
117.06973	0.4
119.04922	22.1
119.08547	2.7
121.02880	0.3
121.06482	0.7
121.10120	1.9
123.04433	1.7
123.08066	0.9
123.11670	0.5
125.09615	0.4
127.03883	0.8
129.05460	0.2
129.06958	0.2
131.04897	1.4
131.08530	0.7
133.06477	0.7
133.10114	3.5
135.04372	0.2
135.08038	0.5
135.11646	0.5
137.05939	0.6
137.09581	1.9
139.03879	0.6
139.11159	1.9
143.08519	0.6
145.02823	0.2
145.04961	0.2
145.10094	1.0
147.04382	100.0
147.11653	3.1
148.04707	0.8
149.09583	0.8
149.13234	0.3
151.03770	0.2
151.07474	0.5
151.11183	0.2
156.09302	0.5
157.10136	0.3
159.08044	0.2
159.11705	0.7
161.05988	0.4
161.09651	0.7
161.13206	0.9
163.03877	0.8
163.07533	0.2
163.11136	0.8
165.05444	4.3
165.06813	0.2
165.09106	0.4
165.12781	0.2
167.06927	0.2
169.10101	0.2
171.07988	0.3
171.11652	0.9
173.13187	0.8
174.10287	0.2
175.07512	0.4
175.11128	0.5
177.05440	0.5
177.12740	0.3
181.04987	0.2
181.14667	0.1
187.07495	0.2
187.11186	0.2
187.14754	0.3
189.09021	0.4
189.12708	2.4
191.03395	0.7
191.10641	0.2
191.14259	0.3
193.08502	0.2
201.09103	0.2
203.17966	0.3
205.04970	0.2
207.13777	8.6
215.03325	0.4
219.10126	0.5
223.13264	0.4
225.14793	2.6
291.08582	2.6
309.09726	4.1
309.79767	0.2
311.39700	0.2
317.21313	0.2
353.17261	0.2
371.18579	0.2
381.43152	0.2
487.29886	0.2
497.28754	0.2
515.29578	0.3
533.18127	0.2
533.30688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88636	2.5
55.05497	18.6
57.07069	7.1
62.57737	2.5
67.05166	2.7
67.05492	31.5
69.07053	48.9
71.08618	5.1
79.05483	12.8
79.97298	2.5
81.07038	69.6
83.08601	16.1
91.05471	17.6
93.07021	52.1
95.04961	5.5
95.08586	94.7
97.10166	11.3
98.21593	4.6
105.07008	64.2
107.08572	63.3
109.10133	100.0
111.11706	9.1
113.17948	2.5
117.06993	11.4
119.08553	40.9
121.06509	2.3
121.10125	47.8
123.11680	40.5
129.07001	12.2
131.08537	32.9
132.09332	3.2
133.10104	51.6
135.11649	36.8
137.13239	16.6
141.07088	3.1
142.07724	4.4
143.08524	23.4
145.10081	50.2
147.11656	46.4
149.05939	2.5
149.09613	4.2
149.13223	55.2
150.10751	2.7
151.14796	5.3
152.11926	2.6
155.08505	9.2
156.09212	2.8
157.10114	34.7
159.11664	43.2
161.13226	45.2
163.14809	19.1
169.10114	6.8
171.11624	23.8
173.13277	23.8
175.14854	11.8
177.09116	3.6
177.16382	12.2
179.10571	2.5
183.11674	7.0
185.09563	2.4
185.13214	20.5
187.14781	28.4
189.12735	4.9
189.16290	16.6
191.10585	5.9
191.17906	50.9
195.09995	3.2
195.11684	3.0
197.13226	7.6
199.14795	10.7
199.51477	2.4
201.16302	11.6
203.10646	9.8
203.14305	5.2
203.17911	19.3
205.12332	5.0
205.15860	3.8
205.19476	24.2
207.13811	4.3
209.11694	8.8
209.13414	2.7
211.14767	6.0
213.16373	3.6
215.14171	3.2
215.18030	3.5
217.12274	11.3
217.15884	2.7
217.19482	19.7
219.13837	4.3
219.21077	3.3
224.14529	2.9
225.16341	6.6
227.17818	2.7
229.15927	2.6
231.13756	20.4
231.21056	13.5
233.15385	12.1
239.17873	3.7
243.13736	5.3
245.15367	14.5
245.22528	4.2
247.16866	5.6
253.19456	3.9
261.18411	2.8
263.16409	3.6
271.17273	3.5
273.18521	3.0
299.20035	3.8
311.20505	2.4
313.22034	3.1
327.23001	9.9
339.23108	2.7
345.24396	5.6
355.26190	4.9
381.27649	3.1
391.33350	8.0
409.34534	17.3
437.34061	91.9
438.34451	4.5
455.35156	70.8
532.39648	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	532.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.05495	11.2
57.07070	2.6
63.39365	2.2
63.53578	2.2
67.05490	23.1
69.07044	15.5
70.43333	7.5
70.43757	4.3
71.04969	6.7
79.05472	20.7
81.07042	42.4
83.04976	2.4
83.08601	5.4
85.06524	16.5
91.05466	26.4
93.07030	44.7
95.04925	5.9
95.08587	61.7
95.22965	2.6
97.06483	5.9
97.10176	3.3
99.08064	3.2
105.07009	91.5
107.08572	48.6
109.06498	5.9
109.10120	23.9
111.08057	67.5
113.09617	20.7
117.06994	18.2
119.08556	74.6
121.06505	3.6
121.10122	33.8
123.08038	3.3
123.11699	9.6
125.09635	2.6
128.06189	6.5
129.06970	18.1
130.07771	3.9
131.08542	58.8
132.09300	4.0
133.10098	62.3
135.08063	4.3
135.11653	17.9
137.09680	2.1
141.06958	6.9
142.07733	11.2
143.08527	37.4
144.09256	6.1
145.10098	79.7
147.07994	3.6
147.11656	86.6
149.09628	5.1
149.13208	16.3
155.08508	14.3
156.09303	5.8
157.10089	51.0
158.10976	3.7
159.08107	2.4
159.11664	70.3
161.09605	10.5
161.13222	36.1
163.11115	5.6
163.14789	9.8
165.12599	2.5
167.08521	4.8
169.10103	20.0
170.10861	5.3
171.11649	41.6
173.09578	7.3
173.13219	49.3
174.04320	2.6
175.11169	5.0
175.14752	25.2
177.12744	5.6
179.14294	3.8
181.10080	6.4
182.10913	3.3
183.11650	18.9
184.07323	5.0
185.09546	4.0
185.13203	34.0
187.11166	11.1
187.14780	49.5
189.12686	6.7
189.16336	13.8
191.10643	6.5
191.14308	7.3
193.15854	5.7
195.11668	8.8
197.13271	18.5
199.14784	27.4
201.12737	8.1
201.16364	13.8
203.10602	3.2
203.14240	12.6
203.18008	4.1
205.12347	3.8
205.15814	17.1
207.11766	3.0
207.17375	3.7
209.11560	4.5
209.13286	9.4
211.14790	9.8
213.12714	6.6
213.16273	11.0
215.14371	5.2
215.17953	5.7
217.12219	12.9
217.15808	12.3
219.13629	3.2
219.17429	8.1
221.13239	4.7
223.14763	7.5
225.16368	8.8
227.14343	4.0
227.17900	6.7
229.15869	5.5
229.19289	5.1
231.13768	20.5
231.17426	6.5
235.14804	3.5
237.16420	6.3
239.17842	3.6
243.13844	6.6
243.17303	2.9
245.15295	7.7
247.20366	2.7
249.14783	4.8
251.17934	4.0
253.19485	3.5
263.16449	3.0
265.19748	3.4
271.20740	3.7
277.19516	3.0
279.20987	6.6
283.20349	2.8
297.21988	3.8
299.23584	3.1
325.21527	5.9
333.25656	9.2
343.22830	6.9
363.26981	3.6
373.28763	9.0
379.26297	9.4
391.29889	77.6
393.31464	6.1
397.27109	9.3
401.28317	6.5
409.30997	56.7
419.29382	51.5
437.30438	100.0
455.31387	40.4
532.36725	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	532.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97873	1.8
55.05505	13.0
57.03422	2.2
57.07058	3.3
65.03894	2.0
67.05494	20.3
69.07061	14.1
69.37826	20.4
71.04980	13.6
74.09699	2.6
79.05481	21.9
81.07045	58.4
83.04965	1.9
83.08607	9.3
85.06528	9.1
91.05473	27.7
93.07034	53.7
95.04944	7.6
95.08598	69.0
97.06521	4.8
105.07018	100.0
107.07861	4.2
107.08573	49.6
109.06521	8.2
109.10138	40.5
111.08067	24.0
113.09642	15.8
115.05442	3.3
116.06174	2.6
117.07001	17.0
119.08568	73.9
121.06489	4.0
121.10121	50.0
123.08077	6.8
123.11694	19.5
125.09560	2.7
128.06210	6.4
129.06973	16.8
130.07741	3.2
131.08545	60.6
133.10117	55.5
135.07974	4.8
135.11685	27.1
137.09599	4.0
137.13237	7.0
141.06969	5.8
142.07703	10.0
143.08542	44.8
144.09285	6.7
145.10107	77.0
146.10764	2.1
147.08066	6.4
147.11671	87.4
149.09659	9.4
149.13234	19.5
151.11159	4.0
154.07674	2.1
155.08559	17.5
156.09329	6.9
157.10107	57.7
158.10814	3.4
159.08037	2.6
159.11671	75.6
161.09599	8.1
161.13232	49.7
163.11180	6.6
163.14828	18.1
169.10110	28.4
170.11043	4.2
171.11659	39.7
173.09639	11.5
173.13237	39.9
175.11211	9.6
175.14777	20.3
177.09119	3.1
177.12759	4.9
177.16389	5.6
179.08501	2.5
181.10107	7.2
183.11644	18.3
185.09587	5.3
185.13222	60.1
187.11177	11.0
187.14786	41.8
188.15216	2.9
189.12741	8.5
189.14760	1.9
189.16313	13.6
189.18810	2.3
191.10649	4.7
191.14279	8.5
193.10239	2.4
193.12131	2.4
193.15833	2.7
195.10155	2.4
195.11621	9.7
197.13229	19.7
199.11066	4.3
199.14775	27.3
201.12729	7.8
201.16347	17.9
203.10661	4.8
203.14334	14.8
203.17953	4.1
205.12184	4.4
205.15842	17.9
207.11737	4.2
207.13789	3.5
208.12180	2.1
209.13261	6.3
211.14755	11.1
213.12753	4.7
213.16356	10.7
215.10718	3.6
215.14267	8.9
215.17923	5.7
217.12253	5.3
217.15781	10.5
219.13802	4.9
219.17413	8.1
221.18974	2.7
223.14919	9.6
225.12683	3.7
225.16304	7.8
227.14262	4.7
227.17934	6.0
229.12228	4.9
229.15862	3.1
229.19499	4.6
231.13878	12.4
231.17409	7.0
233.15404	3.0
233.18980	3.2
237.16339	5.8
239.17960	6.0
241.19470	3.5
243.13786	3.3
245.15276	6.5
247.17079	2.7
247.20483	2.3
249.14661	4.1
251.14235	2.4
251.17871	3.8
253.19582	5.9
265.19574	4.1
267.20956	2.4
279.21124	6.2
281.64725	2.1
297.21890	3.2
305.22556	2.9
307.23996	9.3
309.25781	3.3
325.25229	9.9
327.23260	2.4
333.25772	10.1
335.23590	3.3
351.26822	10.4
353.24615	13.7
361.25201	5.5
363.26944	3.3
367.26239	2.4
371.25772	31.7
373.28790	12.5
375.30283	2.7
379.26321	8.3
391.29922	66.3
393.31677	11.0
397.27463	13.7
401.28461	5.0
409.30978	68.9
419.29373	44.7
437.30432	52.4
455.31601	16.4
471.15906	2.1
532.36615	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	532.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57327	4.1
52.26559	3.8
53.57763	3.8
55.05491	17.3
67.05499	33.7
69.07035	14.6
69.79457	11.1
69.79874	14.7
71.04977	16.6
77.23058	4.8
79.05479	22.3
81.07044	62.5
81.69066	3.7
83.04971	3.9
83.08585	5.3
85.06531	10.8
91.05477	30.3
93.07037	50.8
95.04945	11.2
95.08601	63.2
96.78206	4.1
97.06531	8.9
97.10151	5.0
105.07015	100.0
107.08579	59.6
109.06515	9.7
109.10131	38.7
111.08076	39.7
113.09611	10.3
113.17393	3.8
117.06992	18.1
119.08572	64.0
121.06456	7.3
121.10114	68.9
123.08103	7.1
123.11676	15.1
125.09544	5.0
128.06177	4.4
129.06990	15.0
130.07750	4.4
131.08554	66.6
133.10123	50.3
135.11665	31.5
137.09628	6.5
137.13213	5.1
139.04886	4.0
142.07748	7.7
143.08540	39.1
145.09030	7.1
145.10101	69.2
147.11668	78.0
149.09685	7.1
149.13181	22.4
151.11137	5.7
151.60052	3.9
152.08995	4.0
155.08572	21.6
157.10104	43.0
159.11671	74.9
161.09554	9.5
161.13232	49.1
163.11241	5.8
163.14786	16.0
169.10071	26.0
171.11664	52.7
173.09619	10.1
173.13254	40.2
175.11232	6.3
175.14795	17.9
177.09050	4.4
177.12755	7.7
183.11656	20.3
185.09814	4.0
185.13243	44.9
187.11197	11.0
187.14778	46.7
189.12711	11.1
189.16365	15.0
191.14328	6.0
195.11685	4.5
197.13231	16.3
199.11206	7.3
199.13223	4.1
199.14767	27.7
201.12822	8.1
201.16394	20.4
203.14357	13.8
203.17813	8.7
205.12215	8.1
205.15912	18.4
209.13213	10.8
211.14673	6.7
213.12793	4.8
213.16299	10.8
215.14290	10.6
215.17905	5.7
217.12263	9.7
217.15858	13.6
219.17407	8.7
223.14835	7.6
225.16254	6.6
227.14355	4.7
227.18037	5.3
231.13744	14.7
233.15385	5.8
241.19492	5.3
245.15410	5.7
249.14651	6.2
251.18028	7.8
265.19659	4.2
275.37463	4.6
279.21191	6.1
295.20706	4.6
297.22125	7.7
307.24097	10.5
325.21616	4.3
325.25143	7.8
333.25885	6.9
351.26648	10.6
353.24710	14.7
371.25763	20.6
373.28635	7.8
379.26221	9.6
391.29922	60.1
393.31567	8.0
397.27344	12.0
401.28461	5.1
409.30835	62.2
419.29340	53.1
437.30396	58.5
455.31604	22.0
532.36267	17.1
534.52466	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	532.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04851	3.7
55.01855	16.6
55.05497	22.1
57.03413	5.4
57.07065	5.4
65.14098	3.4
67.05494	52.8
69.07064	25.1
70.41542	13.5
79.05486	38.8
81.07046	94.8
83.04976	10.9
83.08603	11.0
91.05464	36.3
92.75726	3.4
93.06458	6.1
93.07027	78.4
95.04951	10.1
95.08037	6.8
95.08596	84.6
97.06539	4.7
97.10166	7.9
105.07015	100.0
106.07403	4.8
107.08576	63.6
107.47366	3.5
109.06494	7.7
109.10126	50.3
111.08028	21.4
112.26019	4.8
113.09608	7.2
117.07008	17.4
119.08566	65.3
120.87967	3.7
121.06483	5.3
121.10126	66.9
123.08048	7.3
123.11687	27.5
128.06157	4.9
129.06981	18.1
131.08549	70.7
133.10103	78.0
135.07994	6.5
135.11670	49.7
137.13254	9.3
142.07745	11.6
143.08539	53.0
144.09305	4.4
145.10100	93.1
146.10609	4.6
147.08035	5.9
147.11664	70.1
149.09628	8.7
149.13222	21.9
155.08559	16.0
156.09357	7.4
157.10118	55.7
158.10829	6.5
159.10460	3.4
159.11662	82.7
161.09579	10.4
161.13243	40.9
163.11139	7.8
163.14787	16.3
167.08549	6.0
169.10098	15.2
170.10797	4.9
171.11636	30.7
173.13232	48.2
175.11147	9.0
175.14830	24.4
177.16386	6.5
181.10146	7.0
183.11674	20.1
185.13222	43.3
187.14795	70.8
189.12718	8.0
189.16364	18.3
191.14311	7.0
195.11691	11.0
197.13281	11.0
199.14793	29.5
201.12782	4.8
201.16339	21.3
203.14275	14.1
203.18004	7.0
205.12114	5.2
205.15907	12.2
209.13260	8.9
211.14777	12.9
213.16396	11.2
215.10614	6.8
215.14162	5.1
215.17955	6.6
217.12247	8.6
217.15874	11.0
221.13275	4.0
223.14815	4.1
225.16307	7.2
227.17941	5.4
229.19420	9.4
231.13730	17.9
231.17516	5.5
233.15373	8.0
241.19542	6.8
243.17216	4.4
243.21002	8.2
245.15390	12.6
251.18008	5.5
261.22131	26.2
307.24026	4.5
313.06046	3.6
325.25073	8.8
335.25800	5.4
353.24228	25.3
362.83072	3.9
363.26611	6.5
371.25797	21.9
373.28741	12.7
391.25101	4.9
391.29892	55.1
393.31369	7.5
401.28369	5.2
409.30716	34.3
409.34561	3.4
419.29382	73.8
437.30411	84.1
455.31192	21.8
510.34366	4.7
514.35901	20.0
532.36829	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.1
55.05508	0.2
56.05022	0.4
57.03428	0.2
58.06617	0.5
60.08157	6.7
67.05499	0.8
67.06329	0.1
69.03410	0.2
69.07068	0.6
69.97409	0.7
70.06558	0.1
71.07367	2.6
73.02888	0.4
77.51508	0.1
79.05479	0.7
81.03384	0.3
81.07049	1.4
83.05002	0.2
85.02882	0.5
86.09695	30.9
87.10017	0.2
91.05481	0.7
93.07021	0.7
95.04943	0.2
95.08603	1.0
97.02884	0.4
97.06522	0.4
98.20837	0.2
98.98456	2.4
104.10732	3.8
105.07029	1.5
107.04923	0.2
107.08589	0.8
109.02916	0.1
109.06458	0.2
109.10163	1.0
111.08076	0.2
115.03924	0.3
117.06953	0.1
119.08566	1.0
121.10127	0.3
123.04403	0.2
123.11687	0.4
124.99988	20.4
127.03902	0.2
131.08551	0.4
133.04927	0.3
133.10092	0.7
135.11650	0.4
139.03870	0.2
143.01096	0.3
143.08537	0.2
145.04906	0.1
145.10132	0.3
147.11688	1.0
159.11702	0.2
161.09610	0.1
161.13222	0.3
163.03848	0.3
166.02652	0.1
171.11693	0.1
175.11072	0.1
175.14827	0.1
183.11816	0.1
184.07317	100.0
185.07651	0.5
191.03372	0.8
193.12137	0.1
203.17906	0.9
205.35934	0.1
219.10072	0.1
241.08710	0.1
243.06415	0.1
258.10931	0.3
285.07559	0.2
514.29169	1.1
515.29474	0.2
532.30280	8.1
533.17834	0.4
533.30347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3675
Annotation	Holstinone A
Peak:m/z	Relative Intensity
53.03934	2.8
55.01852	3.0
55.05503	26.0
57.07067	4.1
58.01849	1.5
59.74796	1.5
65.03930	3.7
67.05498	56.4
69.07066	16.5
71.01350	1.8
71.04976	5.0
71.08570	2.1
75.21986	1.6
79.05483	47.8
80.40309	1.5
81.03407	7.9
81.07048	47.8
83.04973	4.6
83.08615	15.4
85.06525	6.2
88.07613	2.0
91.05473	32.7
93.06458	2.9
93.07032	47.7
95.04965	6.9
95.08596	36.2
97.06515	8.4
97.10172	12.2
98.20687	3.6
99.08095	2.9
105.07018	39.1
107.08575	31.4
109.06563	2.5
109.10136	19.9
111.08054	4.1
117.07028	20.2
119.08573	38.1
121.06538	3.0
121.10122	18.4
123.08072	3.2
123.11670	5.6
125.09617	4.0
129.07016	15.4
131.08556	27.3
133.10121	34.7
135.08038	4.5
135.11665	25.1
141.07008	3.9
142.07747	3.7
143.08545	19.6
143.14917	1.7
144.09282	1.9
145.10103	38.7
147.11673	20.3
149.09587	3.6
149.13225	6.3
151.11176	2.1
155.08505	8.0
156.09317	2.7
157.10117	22.6
159.11653	24.6
161.09607	3.5
161.13237	16.8
163.11201	3.7
163.14818	2.2
167.08611	2.0
169.10121	11.7
171.11670	17.8
173.13252	19.5
175.11140	2.5
175.14799	7.4
180.09177	1.7
181.10112	4.4
181.12231	6.5
183.11632	12.9
185.13229	15.0
187.14806	11.8
189.16298	2.1
191.14453	2.0
195.11647	5.1
197.13240	6.9
199.13190	2.6
199.14806	10.2
201.16299	3.1
203.14400	2.2
209.13210	6.1
211.14827	3.7
213.16331	6.1
215.14508	1.7
215.17987	2.4
221.13251	1.8
223.14742	4.0
225.16362	4.1
227.12671	1.8
231.21074	3.5
235.14882	2.0
237.16364	2.0
241.19496	10.8
243.17470	1.9
251.17810	2.4
253.14265	5.8
255.15883	21.2
259.17761	1.7
259.20493	26.1
261.18430	2.6
271.04599	1.7
277.21698	3.0
285.21994	4.9
289.21692	1.9
297.22180	2.5
309.90652	1.6
311.23465	2.1
313.21646	2.0
315.23160	3.4
321.24402	2.3
333.24365	9.6
350.83380	1.9
393.31714	2.2
403.30005	4.2
409.30725	3.7
411.32693	6.2
421.30972	17.8
425.34268	3.2
429.33804	2.7
439.32028	13.5
457.33112	15.9
485.36047	5.5
487.34018	3.1
495.34662	9.4
500.13974	2.2
501.35678	5.4
503.37289	25.5
513.35773	100.0
514.35645	2.5
531.36755	66.4
531.46063	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.8
55.05504	14.2
57.03429	3.1
57.07051	4.1
60.04506	3.7
67.05497	25.9
69.07064	18.2
69.60420	16.4
71.08630	4.5
76.56590	1.9
76.75124	2.0
79.05480	22.8
81.03421	4.0
81.07043	43.4
83.04979	11.6
83.08598	13.1
91.05467	24.1
93.07034	44.9
95.04960	7.6
95.08590	70.6
96.08923	2.4
97.06517	6.7
97.10154	6.2
98.20740	4.5
99.08106	3.4
105.06297	2.5
105.07005	61.1
107.08575	74.7
107.09280	4.4
108.08923	3.8
109.06504	6.6
109.10141	47.1
110.10477	3.9
111.08081	8.5
117.07011	8.8
119.08556	69.1
121.06475	3.5
121.10122	50.0
123.08049	4.6
123.11694	11.9
125.09607	22.1
129.07001	3.6
131.08543	31.5
133.10112	57.4
135.11662	24.2
136.92719	2.9
137.09621	3.5
137.13225	3.8
143.08574	14.7
144.09326	4.3
145.10098	56.2
147.11662	30.3
149.09618	4.5
149.13213	13.2
151.11194	6.7
153.09079	4.0
153.73424	2.0
156.09261	2.2
157.10072	14.6
159.11671	51.9
160.12129	3.2
161.13234	24.8
163.11180	3.9
163.14804	10.4
169.10147	5.8
171.11693	9.7
172.12402	4.4
173.13187	25.0
175.14801	22.7
177.16359	13.9
183.11673	6.2
185.13199	10.1
187.14795	37.9
189.16344	37.2
189.17886	3.2
191.14246	10.9
191.17906	16.1
193.15851	3.2
195.11682	3.0
197.13339	3.5
199.14793	12.5
201.16338	63.4
202.16756	2.8
203.14290	2.6
203.17963	12.9
205.15881	14.7
207.17458	3.0
211.14708	3.9
213.16350	28.6
215.17860	22.9
217.15881	8.8
217.19563	8.1
219.14108	2.3
219.17400	35.4
221.15422	3.2
225.16470	3.1
227.17973	4.3
229.15865	3.2
229.19466	4.2
231.17503	5.3
233.19043	6.7
235.16913	24.9
239.17995	2.3
241.19576	7.3
244.49010	2.3
246.59854	2.2
247.16939	20.4
247.77388	2.3
250.69368	2.3
255.21205	5.5
261.18442	11.1
267.21078	10.2
281.22668	4.2
289.21844	2.8
327.23193	3.7
389.32120	9.2
407.33011	68.6
407.38226	3.3
409.34430	11.3
428.62943	2.6
435.32480	21.1
453.33615	78.5
454.33865	2.6
485.59253	2.3
489.37842	4.6
513.35254	5.5
531.38593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3676
Annotation	Holstinone A
Peak:m/z	Relative Intensity
53.03935	4.1
55.01863	3.8
55.05253	2.1
55.05506	26.7
57.03213	1.1
57.03429	12.4
57.07064	4.5
64.40521	1.4
65.03919	3.2
67.05500	64.9
69.03415	2.9
69.07065	21.5
70.12858	6.2
71.01341	1.4
71.04983	5.8
71.49355	1.4
79.05486	48.4
81.03405	4.8
81.07050	59.3
83.04967	5.5
83.08611	17.0
85.06543	4.0
86.06842	1.3
91.04883	1.8
91.05472	46.7
93.07034	58.3
93.07623	3.3
95.04955	9.1
95.08595	33.6
96.08897	1.6
97.06514	9.1
97.10159	10.6
99.08117	2.5
103.05437	1.6
105.07024	41.1
107.04914	2.3
107.08580	33.8
107.09274	2.3
109.06522	3.7
109.10153	23.8
111.08086	5.3
112.99391	1.4
115.05376	1.5
117.07001	20.0
119.08572	42.0
121.06503	2.2
121.10132	24.4
121.10988	1.9
123.08089	2.8
123.11694	6.4
125.09660	5.4
128.06233	4.0
129.06985	12.5
130.07762	1.9
131.08549	33.1
133.06422	2.0
133.09109	2.1
133.10114	33.3
133.11063	2.4
135.08054	2.6
135.11681	28.9
137.09647	2.2
141.07138	2.5
142.07777	3.4
143.08540	19.8
144.09335	3.1
145.06560	2.0
145.10110	35.2
147.08025	1.9
147.11668	32.2
147.12790	2.8
149.09634	4.1
149.13261	8.9
151.11113	2.8
155.08501	7.5
156.09274	1.9
157.10135	22.5
159.08047	2.1
159.11681	30.5
161.09572	2.2
161.13249	20.0
163.11197	6.6
163.14807	3.8
167.08533	2.5
169.10115	11.6
171.11674	20.3
173.13237	19.3
175.11214	2.7
175.14812	9.6
177.12660	3.0
179.08444	1.9
181.10172	4.3
181.12239	4.8
183.11664	12.0
185.13243	15.1
187.14828	11.0
187.46422	1.5
189.12784	2.8
193.10085	1.5
195.11736	5.2
197.13202	8.5
199.13193	1.5
199.14867	7.6
201.16385	6.6
205.15891	1.8
207.11728	2.6
209.13280	4.5
211.14803	6.3
213.16362	5.6
214.36151	1.6
215.18091	1.6
219.11649	1.6
223.14854	3.8
225.16408	3.6
231.21089	3.2
235.14804	1.9
237.16412	2.4
241.19487	13.0
243.21077	2.6
253.14398	6.8
255.15834	26.6
257.18976	1.8
259.20569	35.2
261.18668	2.1
261.22137	9.9
271.20425	2.4
275.20218	1.9
277.21790	1.6
285.22052	3.0
287.23611	1.6
297.22055	3.3
309.22134	1.7
311.23608	2.9
313.21707	2.5
315.23209	4.4
321.24402	2.2
323.23596	2.0
325.21793	1.7
333.24191	14.6
341.24893	2.0
353.26859	2.3
393.31830	3.0
403.29971	5.2
409.30991	4.0
411.32669	7.3
413.98184	1.5
421.30927	17.5
429.33633	3.0
439.32114	13.3
457.33234	15.9
475.33829	2.0
477.33200	2.4
483.34650	1.6
485.36356	7.1
487.34338	2.2
495.34805	10.5
501.35681	6.5
503.37195	26.5
513.35718	100.0
514.35840	3.4
531.36780	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.9
55.05503	20.5
57.03437	14.5
57.52959	1.2
59.04991	1.3
59.19682	1.2
65.03946	1.7
67.05158	2.2
67.05491	24.0
69.03423	5.2
69.07050	10.2
71.04984	4.8
71.62937	2.2
72.10921	1.2
79.05479	24.5
81.03404	79.6
81.07043	37.3
83.04967	22.0
83.08605	26.2
83.14962	1.3
85.02892	32.0
85.06539	3.3
87.04444	1.5
91.05463	32.9
93.07029	22.5
95.04957	33.8
95.08601	11.9
97.02900	2.5
97.06506	4.4
97.10156	6.0
99.08100	2.7
105.07015	26.3
107.04955	7.3
107.08585	11.2
109.06491	6.3
109.10136	6.3
110.10474	1.5
111.04469	2.3
111.08058	10.9
113.05997	2.8
115.05472	1.8
117.07000	3.0
119.08564	26.8
121.06450	2.0
121.10126	13.1
123.08041	2.9
123.11684	3.5
125.06030	1.5
125.09643	3.5
129.06958	14.9
131.08545	16.0
133.06490	4.9
133.10114	17.4
135.08073	1.5
135.11639	2.2
137.09578	3.3
142.07727	4.0
145.10080	2.8
147.08052	3.1
147.11661	20.2
149.09541	8.0
151.11235	2.1
157.10103	21.0
159.11678	2.0
165.12729	5.8
175.11151	21.3
193.10429	2.7
193.12215	59.2
211.13252	97.6
259.20621	1.7
267.15866	25.5
285.16913	100.0
302.97925	1.3
319.22672	1.6
351.25201	1.8
356.51901	1.4
385.24002	1.9
459.27451	12.9
477.28397	21.6
495.29483	70.9
530.15350	1.8
530.35858	10.5
546.73132	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	36.4
57.03423	15.1
58.06585	12.5
61.08926	10.8
67.05507	60.8
69.03398	10.2
69.07046	29.6
70.06572	13.7
71.04975	14.4
73.16522	8.7
79.00172	8.7
79.05481	48.7
81.03432	55.9
81.03838	9.0
81.07050	100.0
83.04974	26.6
83.08583	22.1
85.02883	28.7
85.96928	9.0
91.05465	58.6
93.07036	66.8
95.04941	36.8
95.08580	43.9
98.21600	18.8
99.04462	10.8
99.08105	10.8
100.00797	10.8
105.07021	68.0
107.04955	13.4
107.08567	54.0
109.06457	20.2
109.10138	42.7
111.04444	10.6
111.08073	14.9
117.07008	17.1
119.08552	62.7
121.06433	12.2
121.10122	51.5
123.11665	18.1
125.09618	21.2
128.98750	9.0
129.07011	14.9
130.30283	10.5
131.08519	43.9
133.10112	62.4
135.11644	29.2
143.08519	14.6
145.10085	30.6
147.11670	29.2
157.10098	37.7
159.11693	33.9
160.11960	10.6
161.13315	12.7
171.11604	15.6
173.13171	14.1
175.11188	17.5
183.11731	12.2
185.13240	16.7
193.12221	59.7
201.16241	14.6
211.13237	50.8
213.58301	10.5
229.19284	10.3
267.15881	28.0
285.16928	63.2
350.24219	16.2
407.32776	15.3
459.27213	15.6
470.30487	14.2
477.28360	15.8
495.29443	69.7
530.36670	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	531.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.3
55.01833	5.3
55.05503	18.9
57.03417	4.0
57.07038	5.1
58.30280	1.5
65.03903	3.5
67.05495	69.1
67.05846	2.4
69.03389	2.3
69.07051	19.0
71.04938	6.0
71.62740	1.4
71.63187	2.2
79.05484	40.9
79.05925	1.8
80.75345	1.6
81.03428	9.2
81.07045	63.7
83.04977	9.3
83.08604	8.7
85.06511	7.9
85.06927	1.6
87.04471	9.4
87.04927	2.6
90.09236	1.5
91.05467	44.8
93.07034	45.5
95.04948	10.1
95.08591	28.8
97.06463	5.3
97.10098	4.1
99.04395	3.5
105.00005	1.7
105.07017	47.0
107.04903	2.5
107.08579	38.8
109.06443	6.6
109.10139	64.9
111.08040	4.5
111.11691	1.6
113.05945	3.0
117.06932	6.4
119.08569	14.8
121.10120	19.9
123.07970	2.2
123.11698	10.0
125.09584	2.0
127.07474	2.7
129.06975	2.2
131.08563	13.0
133.10114	71.5
134.86732	1.7
135.11667	18.0
143.08525	3.6
145.10115	8.5
147.11575	5.8
149.09535	1.9
149.13158	7.9
151.11156	33.2
157.10066	2.3
159.11557	6.3
161.13138	4.4
163.14729	2.7
169.12238	10.7
171.11612	3.0
173.13193	7.8
187.14673	3.1
188.62589	1.8
191.04868	1.8
193.12068	2.7
215.12622	5.3
243.20830	4.5
253.14308	100.0
261.22104	19.5
271.15027	2.5
277.21060	1.9
317.24289	4.5
325.44354	1.8
387.55286	1.8
415.10434	4.8
439.31689	3.5
457.32718	3.5
459.12814	3.8
487.12347	2.4
513.35577	21.1
531.15210	12.9
531.36426	81.8
532.36700	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	530.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.05502	17.6
57.03429	16.4
58.03762	0.6
65.03923	1.5
67.05495	24.4
69.03413	4.6
69.07058	7.6
69.47657	0.7
69.50108	0.8
69.50510	5.3
71.04978	5.5
72.38896	0.7
73.02876	0.9
77.03916	0.8
79.05485	30.8
81.03407	75.0
81.07047	32.3
81.93369	0.7
83.04973	19.3
83.08136	1.2
83.08609	25.6
85.02893	29.6
85.06507	3.6
91.05467	38.8
93.07036	18.6
95.04957	29.1
95.08595	11.9
97.02892	3.6
97.06508	4.9
97.10152	3.6
99.04438	0.8
99.08045	1.1
102.01547	0.7
103.05411	0.8
105.07016	29.3
107.04940	9.6
107.08587	8.7
109.06508	5.6
109.10154	3.8
111.04426	2.7
111.07340	1.1
111.08066	14.0
113.05978	3.3
115.05437	2.7
117.06981	2.2
119.04919	1.1
119.08567	25.6
121.06448	1.9
121.10123	9.8
123.08055	3.1
123.11668	2.1
125.09595	2.4
127.07584	0.8
127.11089	0.7
129.06981	13.7
131.08546	15.2
133.06503	3.4
133.10115	15.5
134.10561	0.7
137.09576	2.4
137.13228	0.8
142.07776	4.4
145.10103	2.4
147.08009	3.1
147.11671	18.6
149.09608	8.0
151.11153	0.7
157.10100	17.4
159.11641	0.7
163.11195	1.2
165.12753	3.9
175.11162	19.4
193.12221	62.7
201.51988	0.7
211.13261	100.0
246.59872	0.7
249.14853	0.7
267.15863	30.2
272.86755	0.8
285.16919	91.3
367.22495	1.5
385.23572	2.1
459.27332	10.3
477.28375	12.5
495.29471	41.3
530.37476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01861	1.2
55.05498	1.5
57.03410	1.1
59.59840	0.7
67.05160	1.4
67.05490	16.2
69.03424	5.1
69.07040	1.3
71.04974	2.3
71.62686	1.6
79.05478	3.1
81.03405	14.3
81.07043	10.9
83.04954	1.4
85.02882	2.2
85.06503	1.1
91.05466	2.2
93.07028	4.5
95.04953	3.8
95.08594	6.1
97.02883	5.7
99.04425	2.5
105.07022	1.4
107.04956	3.1
107.08562	3.0
109.02862	16.3
109.06483	1.8
109.10139	44.6
111.04453	1.4
114.94958	0.7
119.04946	1.4
119.08600	3.6
119.09337	0.7
121.02911	0.8
121.10162	1.6
123.08043	0.8
124.07606	3.6
125.02307	0.9
125.05965	2.2
127.03896	9.2
131.08568	0.8
133.10100	1.2
135.04375	0.7
135.08022	2.4
137.09593	100.0
142.08626	3.5
143.08597	1.1
145.10162	0.8
147.04382	6.5
149.09587	0.9
153.21150	0.8
155.10646	4.9
163.03833	1.8
165.09087	90.5
177.05444	2.6
183.10132	7.7
187.62962	0.8
189.12741	4.0
192.31732	1.0
201.11177	11.3
201.12833	1.2
227.12759	1.6
240.52629	0.8
291.12234	8.7
309.13263	60.4
310.13751	1.3
327.14352	13.5
345.15457	2.5
475.83389	0.9
530.24658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79581	0.4
66.23538	0.3
67.49667	0.3
69.48576	1.1
69.49007	1.5
75.26868	0.3
78.04665	0.5
79.05482	0.3
85.02904	1.3
91.05440	0.7
94.04167	0.8
95.04932	0.5
96.61254	0.3
106.04157	0.5
107.04932	0.5
110.07136	0.7
119.04923	0.4
121.06463	0.5
121.73343	0.3
122.03612	3.2
123.04406	2.8
124.05228	0.5
129.21582	0.3
131.04900	0.9
137.05956	98.8
138.06288	1.4
147.04384	0.6
149.05869	0.4
151.03868	0.5
151.07568	0.5
152.04681	1.0
153.05463	0.3
153.06927	0.4
155.08501	0.3
161.05975	1.1
163.07545	1.3
165.05515	0.5
165.06984	0.8
166.01277	0.3
167.07013	100.0
168.07341	1.5
179.07033	1.9
180.08679	0.4
183.07980	1.6
195.07964	0.6
197.08075	0.9
197.57422	0.3
207.04376	0.5
209.07977	0.5
210.06686	0.3
211.07527	1.6
215.10666	0.3
223.07529	0.3
239.06880	0.5
243.10085	1.5
255.10184	0.7
271.09583	1.9
272.10413	0.5
283.09570	2.0
303.08969	0.6
303.12222	7.3
315.12198	10.0
333.13260	8.2
530.21198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26123	0.5
53.03951	2.8
55.01853	2.0
55.05255	0.9
55.05505	13.2
57.03429	3.4
57.07062	2.2
60.41558	0.5
60.73059	0.6
64.20836	0.5
65.03929	2.3
67.05496	47.7
69.07057	13.7
71.04977	2.5
77.03933	0.7
79.05482	38.2
81.03394	1.9
81.07045	51.4
82.03789	0.6
83.04965	3.1
83.08605	8.1
85.06555	2.7
87.04459	1.4
88.07619	0.6
91.04886	0.7
91.05466	24.7
93.07031	47.9
95.04946	6.0
95.08595	25.7
95.09220	0.9
97.06521	5.6
97.10161	1.7
99.08093	2.1
105.04480	0.9
105.07017	15.6
107.08575	24.1
109.06503	1.9
109.10145	8.8
111.08051	4.1
113.09694	1.2
117.07009	7.6
119.08563	10.3
121.06529	0.7
121.10129	19.6
122.58363	0.6
123.08058	0.9
123.11709	2.4
125.09641	1.0
128.06241	0.7
129.06975	2.0
130.07755	0.7
131.08548	12.8
131.43192	0.6
133.10103	9.3
135.11659	10.6
137.09544	0.7
137.13268	1.0
139.11174	1.0
140.91461	0.5
143.08545	2.2
145.10098	8.7
147.11650	4.9
149.09584	1.2
149.13231	17.4
149.14337	1.1
151.11108	0.6
155.08560	1.1
157.10066	3.3
159.11682	10.7
159.12970	0.7
161.13240	2.0
163.14786	0.8
167.14407	1.0
169.10048	1.5
171.11713	2.2
173.13258	4.1
175.14783	1.3
177.12733	2.9
181.10208	1.2
183.11679	1.1
185.13287	1.9
187.14825	1.7
195.13744	4.9
197.13214	1.3
199.14732	1.2
201.16446	1.3
211.14949	0.7
213.14833	1.1
229.71597	0.8
243.21085	1.3
256.26315	5.3
259.20483	1.0
261.22083	2.8
275.20172	0.8
299.23679	0.7
317.24777	1.2
371.09198	0.7
411.08707	0.8
413.10165	3.1
419.33340	1.1
437.34146	3.4
455.35266	1.6
457.13095	1.1
473.36346	0.8
485.12347	1.9
511.37683	2.5
529.15125	7.4
529.38837	100.0
530.15240	1.1
530.39044	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3518
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
51.09192	2.3
51.34100	2.9
53.03932	3.0
55.01859	3.3
55.05508	17.2
56.56858	2.4
57.03424	2.7
57.07058	4.2
67.05491	37.5
69.03403	3.4
69.07053	17.2
69.93904	6.1
69.94318	9.9
71.04981	2.9
72.02324	2.8
79.05480	29.0
81.03403	3.4
81.07042	63.1
83.04965	20.2
83.08617	13.4
83.09041	2.4
85.06583	2.9
91.05464	37.5
91.06001	4.2
93.07030	57.9
95.04964	10.6
95.08591	66.8
97.06525	3.8
97.10175	4.8
99.31282	2.9
105.07011	66.6
107.04917	3.2
107.08578	85.3
107.09283	5.2
109.06481	18.5
109.10131	41.3
111.08046	13.1
117.07001	16.5
119.08560	83.6
121.06487	4.1
121.10122	54.6
123.08098	6.0
123.11704	16.2
125.09616	29.5
127.07517	7.7
127.11152	4.3
129.06975	8.8
131.08559	49.8
133.10129	61.7
135.07991	3.2
135.11688	22.9
137.09631	2.9
137.13298	3.0
142.07787	6.4
143.08531	26.6
145.10109	62.1
147.11658	31.0
149.09637	4.7
149.13219	14.5
151.11140	8.5
155.08548	7.8
156.09373	4.8
157.10107	29.4
159.11681	52.7
161.13225	24.9
163.11104	5.4
163.14847	8.5
165.06929	2.7
165.12900	3.0
169.10156	11.5
170.10858	5.3
171.11678	27.7
173.13246	34.4
175.14815	22.7
177.09033	4.5
177.12682	3.0
177.16383	7.7
181.10135	5.5
182.10867	4.8
183.11638	18.6
185.13234	32.6
187.14793	51.7
189.16338	26.2
191.14264	11.4
191.17921	9.4
193.15894	4.9
195.11641	7.8
197.13222	21.5
199.14792	44.5
201.16367	54.0
203.14311	9.6
203.17981	6.9
205.15828	10.9
209.13252	7.9
211.14793	18.1
213.16359	43.3
215.14304	8.1
215.17957	7.8
217.15892	12.1
219.13918	3.0
219.17375	28.4
221.15320	4.3
223.14803	6.0
225.16528	4.2
227.17955	4.3
229.15916	4.2
231.13837	3.4
233.15401	5.9
237.16315	5.5
239.17900	5.8
241.19513	11.7
243.17549	3.6
245.15379	8.4
247.17009	4.3
251.17830	4.2
253.19461	7.6
257.18860	3.2
259.17007	9.3
261.18481	3.0
265.19571	6.3
267.21075	12.2
275.20114	5.9
281.22470	4.0
287.20032	2.8
299.19885	2.9
339.23294	4.0
387.30374	7.5
405.31467	67.9
406.31894	3.4
407.32925	8.3
413.10123	15.8
415.29932	5.2
421.30832	6.7
423.32550	3.7
433.30988	43.2
451.32007	100.0
452.32196	4.7
457.12625	6.6
483.34476	4.5
485.12201	12.1
511.34067	3.0
529.14990	19.2
529.35162	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01857	0.4
53.03938	2.3
55.01858	1.8
55.05255	0.7
55.05505	11.3
57.03426	2.5
57.07068	1.8
60.00294	0.5
63.06975	0.4
65.03929	2.4
67.05495	41.5
69.03404	0.8
69.07060	13.9
70.27673	2.2
71.04980	2.3
79.05482	29.6
81.03413	1.1
81.07046	43.1
83.04958	2.6
83.08600	7.0
85.06532	2.5
91.05469	20.0
93.07031	36.4
95.04961	4.6
95.08592	20.6
97.06519	4.7
97.10157	1.4
99.08100	1.4
105.07014	13.6
107.04971	0.5
107.07848	1.0
107.08579	19.3
109.06471	1.5
109.10145	7.5
111.07426	0.5
111.08045	2.6
115.05491	0.8
117.07001	6.5
118.07872	0.5
119.08559	9.9
121.10126	15.2
123.08022	0.7
123.11697	1.7
125.09605	0.6
129.06979	2.1
131.08540	10.5
133.10114	7.5
135.11684	8.9
137.09608	0.6
139.11195	0.7
142.27379	0.6
143.08574	3.3
144.09428	0.5
145.10110	6.6
147.11676	5.2
149.09669	0.8
149.13239	15.2
157.10081	3.1
159.11673	10.9
161.13203	2.5
163.14764	0.8
169.10112	1.4
171.11714	2.3
171.61504	0.5
173.13214	3.4
175.14789	1.2
177.12675	2.4
183.11559	1.3
185.13275	1.7
187.14813	2.2
195.13762	4.4
197.13324	1.1
199.14832	1.2
201.16418	1.0
208.12369	0.6
213.16522	0.7
223.14725	0.7
227.18054	0.7
243.21220	0.8
256.63373	0.6
261.22150	3.1
275.20206	0.6
299.23642	1.1
303.22974	0.6
317.24832	1.6
340.67529	0.6
419.32935	1.4
437.34070	4.7
445.81696	0.5
455.35068	2.0
473.36130	0.7
511.37695	2.1
529.38843	100.0
530.39014	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.8
58.06573	0.2
59.57271	0.3
67.05501	0.3
68.05006	0.4
69.03406	0.7
69.80666	0.5
69.81071	1.3
70.06577	0.4
74.06060	1.7
81.03420	0.3
81.04512	1.6
82.05304	1.3
83.06087	13.9
84.04495	1.3
84.08134	3.3
85.02880	0.9
91.05461	0.3
93.04512	8.9
93.07020	0.3
95.04976	0.3
95.06072	5.0
97.02884	0.5
100.03957	0.3
107.08590	0.3
108.05595	0.4
109.06425	0.6
109.98133	0.2
110.07145	100.0
111.05534	1.7
111.07453	0.2
112.07601	0.3
112.08710	0.4
119.04908	0.3
120.05579	0.8
121.03938	0.4
121.06485	0.8
122.07146	1.1
123.04435	0.9
123.05559	0.2
125.07101	0.6
126.12542	0.2
127.03934	0.5
131.04898	0.3
134.06004	0.6
135.06750	0.3
136.05025	0.6
136.07562	1.7
137.05978	1.3
137.07001	0.4
138.05588	0.3
138.06602	0.9
140.07022	0.3
146.06017	0.4
147.04398	0.8
148.08665	0.4
150.06613	0.6
156.07660	2.3
158.05989	0.3
163.03854	0.3
165.06590	0.6
166.09743	1.4
167.07013	1.6
167.09302	0.7
172.07526	1.1
183.07710	0.4
188.07065	0.5
193.10861	0.6
200.06992	1.4
204.06621	0.3
211.11954	0.6
217.09738	1.1
228.11328	0.8
230.12837	4.0
258.09903	0.7
274.11841	0.6
283.11133	0.3
284.11581	0.3
286.09262	0.3
300.13284	0.3
318.14517	1.0
319.14078	0.3
328.12988	0.6
367.22205	1.4
412.19611	0.5
413.19330	0.5
439.21277	0.4
441.18726	0.4
455.20294	0.8
457.22272	2.7
483.19785	4.8
485.17502	1.9
493.17813	0.3
501.20804	12.2
511.19431	4.5
529.20398	45.1
530.20679	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1484
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
53.03932	0.7
55.05499	2.3
55.31690	0.4
57.03394	0.7
57.07067	0.7
63.04446	0.4
65.03926	0.5
67.05488	7.0
69.07037	2.1
69.66557	1.5
69.66987	1.4
74.35451	0.4
79.05476	4.0
81.03402	2.8
81.07041	7.1
83.04993	0.5
83.08611	1.5
84.46769	0.4
89.06017	1.8
90.06359	0.6
91.05444	3.3
93.07034	5.6
95.04953	1.3
95.08578	4.2
97.06527	0.8
97.10136	0.6
105.07009	2.3
107.08589	3.3
109.10123	1.8
111.08086	1.0
117.06989	0.9
119.08574	1.8
120.77094	0.4
121.10136	2.1
123.11671	0.9
129.06989	0.6
131.08543	1.4
133.08589	0.7
133.10155	2.0
135.11693	1.6
143.08589	0.6
145.10129	0.7
147.11699	0.5
149.13219	0.9
157.10049	0.9
159.11679	1.5
161.13260	0.7
171.11617	0.6
183.11629	0.4
185.13254	0.4
193.12279	0.5
213.79938	0.4
218.96951	0.4
231.88737	0.4
239.17967	0.4
256.26315	0.7
315.06741	0.8
315.10181	1.6
329.20175	0.4
343.05896	0.8
343.09479	2.5
353.08176	0.7
355.09790	0.4
356.06650	0.6
357.07544	0.6
367.09720	0.8
369.07495	1.1
370.08316	0.9
371.09027	9.1
371.13538	0.6
377.08026	0.5
381.07391	1.5
383.05157	0.5
384.06296	1.2
385.06982	5.3
385.10965	1.3
386.07800	2.5
387.08231	0.5
395.09033	3.1
396.09985	1.0
397.06113	0.6
397.10889	3.8
398.07858	0.9
399.08664	0.9
411.08698	1.5
412.09723	2.1
413.10129	46.9
414.10721	1.3
415.11774	1.9
423.08514	6.0
425.10590	0.7
429.09390	1.2
439.11719	5.0
441.09625	7.9
456.11850	0.7
457.12772	22.8
467.11148	3.6
485.12228	18.2
528.37451	1.2
529.14862	100.0
529.38654	13.8
530.15295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.6
53.03936	4.4
55.01864	10.1
55.05498	26.1
57.03429	20.9
57.07059	2.1
58.81514	1.5
59.04982	2.7
60.57441	1.4
65.03924	2.5
67.05496	34.4
69.03419	6.3
69.07054	9.6
71.01344	1.9
71.04639	1.5
71.04966	9.2
71.62334	1.9
71.62787	2.0
79.05484	40.1
80.05779	1.7
81.03407	65.1
81.07038	40.7
83.01326	9.2
83.04977	30.7
83.08610	35.4
84.05326	1.5
85.02892	23.6
85.06521	4.0
87.63677	1.5
91.05468	40.1
93.07033	38.0
94.07359	1.5
95.04951	30.7
95.08595	17.4
96.05344	1.8
97.02893	5.3
97.06505	7.9
97.10160	7.0
99.04456	3.9
99.08075	1.8
105.04462	1.8
105.07019	29.7
107.04948	14.3
107.08568	19.8
109.06512	12.3
109.10151	6.4
111.04438	3.9
111.08077	12.9
113.06017	3.9
117.06989	10.5
119.08559	28.5
121.06483	3.8
121.10141	15.6
123.08070	8.5
125.05983	2.9
125.09633	2.5
129.06984	12.6
129.34401	1.5
130.07791	2.2
131.08560	16.6
133.06413	1.9
133.10115	13.9
135.08049	1.8
135.11638	10.0
137.09587	3.2
142.07756	2.5
143.08519	2.4
145.10089	18.6
147.08023	4.4
147.11661	15.2
149.09637	5.4
153.12726	3.2
155.08559	2.7
157.10110	15.9
163.11166	23.4
165.12778	3.6
173.09550	3.5
175.11168	13.2
181.12201	3.1
191.10709	2.9
191.15878	1.4
193.12212	47.2
209.11742	7.0
211.13255	78.2
227.12753	5.0
267.15881	14.4
283.15356	100.0
283.89801	1.7
284.15811	2.6
285.16925	70.3
349.12756	1.6
383.21811	1.9
441.33521	1.7
475.26819	16.9
493.27896	94.0
494.28229	3.0
528.35876	18.8
529.28107	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05505	22.2
57.03436	14.4
57.29160	2.2
61.02926	4.0
67.05494	38.6
69.03415	11.8
69.07066	13.7
70.44879	8.9
71.04970	8.1
73.02904	3.9
79.05483	44.9
81.03406	43.4
81.07038	40.1
82.07383	2.7
83.04961	15.5
83.08610	21.8
85.02890	25.6
85.06507	3.5
91.05459	35.7
93.07034	56.7
94.07347	4.1
95.04960	31.3
95.08588	47.1
97.02871	7.8
97.06517	10.4
97.10162	2.5
99.04448	4.3
105.07018	34.0
107.04954	11.9
107.08585	36.6
109.06479	10.5
109.10143	12.5
111.04381	3.5
111.08051	11.4
113.05984	3.6
115.05475	3.8
117.06998	10.9
117.64813	2.6
119.08562	37.6
121.06470	9.7
121.10113	20.1
123.11688	2.8
125.09604	3.8
127.03886	2.6
128.06226	2.8
129.06972	8.9
130.07770	2.5
131.08510	14.6
133.06509	3.6
133.10104	23.1
134.10378	4.5
135.08031	5.7
135.11665	42.3
137.05971	2.9
137.09544	2.7
142.07787	3.9
143.08490	3.9
145.10120	34.6
147.07964	2.9
147.11671	15.0
149.09589	8.4
157.10069	9.0
159.11748	3.9
163.07379	2.5
163.11166	61.0
165.12782	3.5
175.11166	9.3
179.17104	3.1
181.12230	6.9
193.12210	31.1
209.11491	3.3
211.13264	46.7
227.12741	79.3
267.15952	23.8
283.15363	76.8
285.16904	100.0
366.23337	5.2
436.20938	3.4
475.26794	26.9
493.27911	94.2
528.28387	5.1
529.14886	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01859	2.6
55.05498	7.8
56.96537	0.7
57.03431	6.6
57.06787	0.7
57.07068	13.1
59.04985	3.3
61.02918	2.4
62.07856	0.6
66.47648	0.7
66.62560	0.5
67.01857	1.3
67.05491	1.9
69.03423	10.6
69.07056	52.5
70.93715	1.4
70.94093	1.2
71.01341	1.3
71.04987	6.3
71.08624	8.2
73.02901	9.0
73.06542	9.3
75.18646	0.5
79.05485	1.4
81.03407	6.1
81.07034	2.1
83.04960	1.2
83.08614	2.0
85.02890	16.6
85.06522	0.9
85.10174	4.5
87.04466	1.7
89.06017	32.2
91.05486	1.7
93.07028	2.1
95.01299	5.9
95.04955	1.5
95.08588	2.2
97.02884	13.3
97.06516	2.2
97.10126	0.6
99.04449	1.3
99.11738	1.5
105.03379	1.1
105.07021	1.9
107.07070	0.6
107.08587	1.7
109.02856	6.4
109.06507	1.4
109.10157	2.1
111.11701	85.3
111.20202	0.6
112.12043	1.1
113.02360	8.3
115.03916	5.5
117.03360	0.8
117.07011	0.8
119.04938	1.5
119.08540	1.0
121.02865	1.0
121.06533	1.1
121.10120	0.9
123.04441	1.7
127.03896	8.1
129.12733	100.0
130.13084	0.9
131.04951	0.6
133.04945	5.6
133.10115	1.3
135.08052	1.0
137.05988	0.9
139.03847	1.2
140.18797	0.5
143.08586	0.6
145.02826	1.9
145.04936	3.7
145.10085	0.8
146.03198	1.3
147.04395	8.4
151.03851	1.1
153.01805	16.5
153.02980	1.2
157.10060	0.7
163.03830	1.0
163.05998	1.6
163.11110	0.7
170.15309	1.2
171.02853	10.7
177.05443	7.3
178.05812	2.5
179.03377	0.6
185.15329	1.0
195.02864	2.4
199.16896	24.0
217.17944	42.1
234.12059	1.3
239.05481	6.9
241.07014	1.2
259.08099	0.7
265.10901	0.8
273.07529	18.9
291.76303	0.6
305.92389	0.7
315.08618	1.1
331.15302	1.1
331.22607	0.9
338.21750	0.7
349.16339	1.1
375.15414	1.2
381.10013	1.1
456.31357	0.6
528.31061	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.7
55.01865	4.2
57.03418	1.7
59.79950	0.5
61.02926	0.6
61.10509	0.4
63.40066	0.5
67.01836	0.5
67.05491	1.1
69.03419	7.9
69.30224	0.7
69.30631	4.0
71.04989	4.3
73.02919	2.2
81.03407	25.4
81.07045	1.5
82.03753	0.5
83.04968	0.8
85.02893	5.1
93.07024	1.4
95.04961	1.0
95.08595	0.9
95.24829	0.4
97.02879	27.4
99.04442	25.6
99.04991	0.6
101.02346	0.7
103.03919	1.6
105.07006	0.8
107.08572	1.6
109.02865	100.0
109.10136	2.4
110.03196	1.0
110.10480	0.8
111.04391	0.8
115.03913	6.7
121.06525	0.5
121.10125	1.2
123.23729	0.5
127.03900	72.5
128.04265	0.6
129.05478	0.7
137.09624	3.9
138.09952	2.0
139.03880	0.5
145.04935	12.7
145.10054	0.8
147.06607	0.6
149.09641	0.6
155.10692	0.6
163.11121	2.2
165.09093	4.1
166.09416	2.1
167.10750	1.1
167.57431	0.5
169.04962	8.2
169.08577	1.4
181.12241	0.7
184.09549	0.5
187.06000	23.6
187.38472	0.5
191.10605	1.5
201.11208	0.6
202.10707	0.8
205.07056	32.8
209.11678	1.1
227.12776	3.6
229.07034	11.8
235.13635	0.5
247.08104	25.0
275.76019	0.5
289.09131	2.0
309.13211	1.2
310.13684	2.3
327.14502	0.7
328.14258	0.9
353.16055	2.2
371.16974	1.6
397.58698	0.7
513.35944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35502	1.4
53.03940	4.4
55.01868	4.3
55.05493	3.9
57.03422	5.6
57.07049	1.3
59.04986	1.9
61.02921	4.1
65.03939	1.4
67.05490	8.2
69.03418	27.2
69.07054	6.6
69.54913	6.1
69.55348	5.6
70.02942	1.8
70.06577	1.9
71.04986	4.2
72.04506	3.8
73.02892	5.2
75.04465	5.3
79.05486	20.3
81.03406	14.3
81.07055	17.6
83.04968	6.1
85.02893	34.1
85.06540	2.6
86.09682	2.8
87.04445	3.1
90.05534	4.0
91.03951	1.5
91.05466	15.7
93.07027	92.0
94.07352	2.1
95.04953	10.7
95.08593	6.6
97.02870	17.6
97.06518	1.7
99.04452	8.2
103.03920	3.3
105.04425	1.8
105.07006	8.2
107.04950	5.4
107.08576	18.3
109.02857	12.8
109.06495	2.3
109.10130	10.1
111.04441	6.4
111.08064	4.6
115.03880	1.7
116.03464	1.8
119.04951	3.2
119.08563	10.1
121.02962	1.3
121.06507	7.3
121.10125	100.0
123.08059	1.7
123.11689	20.4
124.07576	5.8
125.05877	2.1
127.03900	16.7
129.05453	5.6
131.08553	8.1
133.10144	1.7
137.05946	2.6
137.09628	9.5
139.11143	4.3
142.08630	4.9
145.04919	13.7
145.10104	1.8
147.04407	10.0
147.06500	3.2
149.09598	57.0
151.11189	10.4
152.06987	1.9
163.05980	6.3
163.07332	1.6
165.07584	4.3
165.09142	6.2
167.07031	3.3
167.10648	29.3
169.12221	12.9
183.08592	14.3
184.09688	6.5
185.11703	2.1
187.13249	15.9
201.07516	1.5
201.11217	2.8
201.80760	1.5
202.10678	14.5
205.12057	1.7
205.14139	1.7
207.10059	1.6
209.08000	1.6
211.09560	1.8
220.11852	3.2
230.10225	2.1
230.21912	1.4
234.09741	2.1
235.61455	1.5
257.49799	1.4
262.12906	3.3
275.12769	3.0
283.15451	2.3
293.13672	7.4
310.12665	2.5
311.14822	53.5
313.16400	4.7
328.13910	10.7
331.17633	1.7
338.62506	1.6
343.13940	2.0
346.14859	4.9
364.15891	3.3
383.15118	1.6
510.19312	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	528.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01866	3.1
55.05502	7.7
55.27314	0.3
57.03428	6.5
57.07066	12.7
57.94394	0.4
59.04990	3.4
61.02929	2.0
66.58499	0.4
67.05489	2.0
67.91360	0.4
69.03419	7.9
69.07057	55.5
70.07398	0.5
71.01341	1.8
71.04973	4.5
71.08621	9.7
71.62707	0.5
73.02905	9.8
73.06547	11.0
79.05492	1.1
81.03403	2.2
81.07047	2.2
83.04986	0.7
83.08604	2.8
85.02892	15.8
85.06538	0.5
85.10159	4.9
87.04474	1.2
89.06020	31.2
91.03950	0.7
91.05472	1.4
91.70281	0.4
93.07035	1.6
95.04960	1.8
95.08592	1.3
97.02876	10.9
97.06511	2.0
99.04438	1.1
99.11729	1.4
103.03935	1.1
105.07007	1.4
107.07082	0.5
107.08569	1.4
109.02861	1.4
109.06528	0.8
109.10195	1.1
111.04440	0.6
111.11702	81.3
115.03906	4.2
117.07032	0.4
119.08570	1.0
121.02873	0.7
121.06452	0.6
121.10130	1.2
123.04465	0.5
123.08032	0.5
125.09570	0.7
127.03912	4.3
129.12735	100.0
130.13083	1.5
131.08629	0.6
132.48994	0.4
133.04947	5.1
133.10114	0.6
135.08081	0.5
135.11700	0.8
137.05981	0.7
139.03868	1.2
143.08575	0.5
145.04926	4.3
145.10059	0.8
147.04419	2.3
147.11653	0.7
151.03853	1.1
159.11707	0.5
163.03873	0.6
163.06026	1.3
165.05482	0.4
170.15370	1.6
177.05428	1.2
199.16902	25.1
200.17189	0.6
211.01274	0.4
217.17953	43.9
218.18336	0.8
223.06024	0.8
229.14224	0.5
233.11682	0.8
235.12228	0.6
241.07121	0.9
329.11557	0.4
331.15302	0.9
333.15640	0.4
349.16379	0.6
389.13342	0.6
408.16324	0.4
528.19653	0.5
529.14130	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
53.45926	0.7
55.01860	6.5
55.05490	1.2
57.03424	2.7
61.02915	1.8
67.01838	1.0
67.05485	1.1
69.03417	18.2
69.56715	4.9
70.06579	4.2
71.04972	6.2
72.04514	0.7
73.02904	1.6
81.03405	33.1
81.07053	1.5
83.01341	1.1
83.04966	1.4
84.08141	1.5
85.02888	11.0
86.09685	1.6
91.05476	1.1
93.07022	1.3
93.62957	0.7
95.08568	1.1
97.02874	29.8
97.03505	1.4
97.23521	0.7
99.04436	32.7
101.02366	0.9
107.08578	1.4
109.02859	97.2
109.10136	2.1
110.03180	0.8
111.08069	1.0
112.07600	2.0
115.03918	14.9
125.87122	0.8
127.03893	100.0
130.54575	0.7
136.07552	1.4
137.09598	3.3
139.03891	3.4
140.07013	1.7
145.04918	5.9
150.52084	0.8
151.07494	5.3
163.11148	0.8
165.09070	1.6
169.04942	16.7
169.12172	0.7
169.15855	1.0
182.08018	1.1
183.08496	0.8
187.05978	48.4
187.13243	0.8
188.06265	0.9
190.04990	1.1
202.10791	0.8
205.07033	9.0
229.07059	6.9
247.08080	41.2
248.08459	0.8
289.08896	0.7
328.13724	1.2
501.21057	0.7
551.34192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01870	7.4
57.03420	3.9
61.02899	2.2
67.05485	1.8
69.03425	19.1
69.73977	7.3
70.03748	1.1
71.04987	5.6
73.02898	3.8
81.03414	31.7
81.07045	1.8
82.03725	1.2
83.04964	3.1
85.02889	8.8
90.05538	1.8
93.07067	1.4
95.08598	1.9
97.02271	2.0
97.02883	31.5
98.02382	1.1
98.20795	2.1
99.03827	2.1
99.04448	34.7
103.03930	4.4
107.08575	1.1
109.02872	84.5
109.10130	8.3
110.03202	2.3
110.10487	2.4
111.04417	1.8
115.03928	8.0
119.08638	1.1
127.03908	100.0
128.04243	1.1
129.05446	3.1
137.09602	19.6
138.09944	11.1
139.03868	3.1
145.04955	13.9
147.04405	1.8
147.06590	1.5
165.09088	12.6
166.09465	10.3
169.04959	11.3
183.08592	3.2
187.06003	39.3
187.07687	2.3
201.11174	1.7
202.10786	3.7
205.07054	32.6
211.05954	1.4
220.11786	1.7
229.07062	19.1
247.08119	24.3
289.09143	7.8
309.13312	3.4
310.13736	7.1
328.14206	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.2
55.01853	1.9
55.05498	11.5
57.03429	3.2
57.07050	1.6
57.79062	0.5
59.04998	0.6
65.03922	1.9
67.05491	26.0
69.03417	1.4
69.07055	9.1
69.56161	4.0
69.83139	0.5
71.04966	1.2
79.05479	19.2
79.71698	0.4
81.03404	16.2
81.07040	22.7
81.20580	0.5
83.04975	2.8
83.08607	8.1
85.02892	0.7
85.06528	0.9
91.05463	16.0
93.07024	17.9
94.07355	0.6
95.04940	7.1
95.08590	15.2
97.02856	1.3
97.06507	2.5
97.10152	4.2
98.21546	1.0
99.08083	1.0
105.04471	0.8
105.07007	14.5
106.97195	0.5
107.04926	2.1
107.08570	11.8
109.02829	0.4
109.06501	2.0
109.10127	11.0
109.10809	0.8
111.04461	0.8
111.08080	3.0
113.05979	0.5
115.05441	1.2
116.06308	0.4
117.06993	7.6
119.08556	12.1
121.06472	1.5
121.10122	8.3
123.04379	0.8
123.08069	0.9
123.11698	1.9
125.09603	3.4
128.06207	1.8
129.06987	6.9
130.07703	0.5
131.08534	13.8
131.09499	0.7
133.06482	0.9
133.10104	7.8
135.08058	0.9
135.11662	5.4
135.34151	0.5
137.09590	1.1
139.03870	4.6
140.04263	0.7
141.06992	1.6
142.07735	2.6
143.08527	8.3
145.06438	0.7
145.10098	10.3
147.08023	0.8
147.11662	6.1
149.09589	1.5
149.13239	2.0
151.11171	0.7
153.09050	0.7
154.07857	0.4
155.08545	5.3
155.10596	1.1
156.09297	0.5
157.10100	11.0
159.11646	6.4
161.09662	0.8
161.13258	2.0
163.03970	0.6
163.11134	0.8
165.12781	0.6
167.08559	2.2
168.09377	0.8
169.10089	6.1
171.11636	6.8
173.11807	0.7
173.13223	5.0
175.11111	2.7
175.14824	1.1
177.16353	0.6
179.08598	1.3
181.10118	3.1
183.11646	5.5
183.13254	0.6
185.13232	6.2
187.11292	0.7
187.14801	2.4
189.11281	1.1
193.10307	0.7
193.12209	6.9
195.11562	2.5
197.13246	5.4
199.13274	0.6
199.14835	3.5
201.12619	0.5
201.16330	1.3
205.16011	0.6
207.11687	0.8
209.13264	2.0
211.14807	2.4
213.16437	1.3
215.17836	0.8
221.13231	1.1
223.14764	3.2
224.69234	0.5
225.16377	1.1
227.18019	0.6
235.14784	1.1
237.16296	1.3
239.17920	0.6
243.21037	0.8
249.14735	1.1
251.18059	0.8
255.17398	0.8
261.22067	2.5
263.17813	0.5
267.15710	0.5
283.20554	0.7
293.98376	0.6
297.22174	1.0
299.23737	0.5
301.25204	0.6
307.24094	0.7
309.22070	0.8
317.24780	1.2
323.23749	1.1
337.25165	0.8
341.24658	0.8
349.24796	0.6
355.26517	0.7
361.25073	0.7
379.26254	0.6
417.31509	2.6
435.32495	10.2
436.33020	0.6
453.33517	5.7
456.35797	0.8
471.34827	3.0
473.34125	1.1
474.36505	1.3
491.35260	1.6
509.36142	7.1
527.37244	100.0
528.30371	0.7
528.37781	4.8
551.13092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	0.4
53.03920	1.5
55.01846	1.9
55.05260	0.6
55.05500	10.2
56.20444	0.5
57.03419	2.6
57.07055	1.4
59.04974	0.9
64.23412	0.4
65.03905	0.8
67.05492	20.3
69.03425	0.7
69.07056	9.3
69.07415	0.4
70.06582	0.7
71.04966	1.4
71.08616	0.6
73.02882	0.4
73.06535	0.5
74.45562	0.3
78.51342	0.4
79.05476	15.7
81.03390	1.4
81.07038	22.6
83.04951	1.8
83.08597	6.2
85.06507	1.9
88.07579	0.4
91.05460	16.9
93.07025	16.4
93.07614	1.0
95.04960	2.4
95.08584	14.0
97.06494	2.6
97.10143	2.9
98.48701	0.5
103.05443	0.7
105.07011	17.0
107.08581	9.3
109.06489	1.3
109.09445	0.5
109.10141	6.9
111.08051	1.6
111.11681	0.6
115.05424	1.3
115.83452	0.4
116.06255	0.5
117.06997	9.6
119.08554	13.2
121.06476	0.8
121.10119	6.2
123.08015	1.1
123.11667	1.3
125.09636	1.0
126.97091	0.4
128.06152	2.7
129.06975	10.3
130.07729	0.8
131.08540	16.7
133.06496	0.5
133.10109	9.5
134.40601	0.4
135.07971	0.6
135.11644	3.6
137.09616	1.0
137.13225	0.5
139.11168	0.5
141.06955	3.3
142.07739	2.7
143.08537	14.7
143.09660	0.7
144.09296	0.5
145.06497	0.4
145.10092	13.4
147.07982	0.6
147.11653	5.2
149.09590	0.8
149.13206	1.9
151.11240	0.6
154.07736	0.7
155.08517	8.7
156.09279	1.5
157.10106	13.4
159.08034	0.5
159.11662	9.0
161.13255	2.1
163.14789	0.7
165.06996	1.0
167.08531	3.1
168.09296	1.1
169.08691	0.9
169.10100	8.9
170.10751	0.6
171.07857	0.4
171.11664	12.3
173.13217	6.2
175.11101	0.6
175.14745	1.0
177.12675	0.6
179.08493	1.5
180.09288	0.8
181.10115	4.5
183.11650	10.2
184.12360	0.4
185.13211	7.8
187.11011	0.5
187.14810	2.6
189.12720	0.8
193.10088	1.7
195.11667	4.8
195.13509	0.7
196.12358	0.7
197.13235	6.7
199.14751	4.1
201.12799	0.5
201.16333	0.5
207.11641	1.3
209.13226	3.4
211.14777	3.6
213.12628	0.7
213.16374	2.9
213.43289	0.4
217.15907	0.4
221.13213	1.7
223.14742	3.2
225.16364	1.6
235.14793	2.4
237.16351	1.8
239.17909	1.3
241.19595	0.6
249.16449	1.0
249.18639	0.5
251.17899	1.0
255.17372	0.5
256.26291	1.8
257.26678	2.1
259.20554	1.7
263.17834	0.8
265.19559	1.0
269.18896	0.6
279.20987	0.9
281.18924	0.6
283.20468	1.4
287.20108	0.7
291.21201	0.6
293.18707	0.5
295.20349	0.6
297.22037	1.7
299.20105	0.5
301.21609	0.6
307.20346	0.5
309.22107	1.3
311.23691	1.6
313.21463	0.7
315.23038	1.6
321.21820	0.7
323.23645	1.2
325.21448	0.5
325.25089	0.9
327.23181	1.0
335.23529	1.0
337.25180	1.5
339.23068	0.9
341.24637	0.9
347.23700	0.5
351.26810	0.6
353.24524	0.7
365.24802	0.7
367.26306	0.5
375.26315	0.5
379.26227	0.5
407.33099	1.1
417.31573	5.6
423.30457	0.5
435.32538	15.8
436.32831	0.8
453.27795	0.6
453.33545	7.1
457.29489	0.5
471.34583	3.2
473.34085	1.5
491.35117	1.7
509.36191	10.3
527.37122	100.0
528.37585	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	527.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01854	1.1
55.05260	0.7
55.05505	10.8
57.03437	2.6
57.07045	1.7
57.65221	0.4
60.73513	0.5
61.47813	0.4
65.03908	1.3
67.05495	20.6
69.03417	0.7
69.07058	8.5
69.27094	6.1
71.04962	1.6
71.08616	0.7
77.03894	0.5
79.05051	0.9
79.05482	15.1
81.03407	4.4
81.06569	1.0
81.07043	19.9
83.04962	1.8
83.08607	5.7
85.06519	1.3
89.06015	1.9
91.04887	0.7
91.05463	16.2
93.07034	16.2
95.04955	3.6
95.08591	14.8
95.09093	0.4
97.06503	2.2
97.10154	2.6
98.21500	1.3
99.08088	1.0
103.05447	0.5
105.07018	15.9
107.04945	0.9
107.08574	8.6
109.06498	1.0
109.10120	6.1
111.08054	0.7
111.11632	0.6
115.05437	1.8
117.07006	8.7
119.08563	10.6
121.06487	1.0
121.10123	6.6
123.08041	0.9
123.11673	1.6
125.09607	1.8
128.06201	2.1
129.06989	9.3
130.07687	0.7
131.08537	15.4
133.06465	0.6
133.08548	1.1
133.10107	7.8
135.08008	0.8
135.11653	4.1
137.09613	0.5
141.06987	2.2
142.07707	2.9
143.08540	11.1
144.09425	0.6
145.10098	12.6
147.11653	4.1
149.09576	1.1
149.13232	1.9
151.11176	0.8
154.07751	0.8
155.08536	7.4
156.09312	1.3
157.10091	10.6
158.83426	0.5
159.11676	8.0
161.13243	2.6
165.07011	0.7
166.07761	0.6
167.08549	1.8
168.09326	0.7
169.10097	8.6
170.10901	0.7
171.11664	10.6
173.13213	5.6
175.11172	1.0
177.12651	0.8
179.08566	0.5
181.10103	4.1
182.10771	0.8
183.11658	8.0
185.13216	6.7
187.11197	0.6
187.14798	2.4
193.10162	1.4
193.12134	1.1
195.11749	2.8
195.13535	0.6
197.13213	7.3
199.14842	3.4
201.12602	0.7
201.16422	1.2
207.11673	1.7
207.13574	0.5
209.13213	3.4
211.14813	3.7
213.16408	1.8
221.13245	2.3
223.14856	3.1
225.16364	2.1
235.14865	0.9
237.16368	1.6
241.19592	1.0
249.16420	0.7
259.20535	1.7
265.19391	0.7
271.16824	0.8
275.20117	0.7
281.18686	0.8
283.20456	0.8
285.18448	0.8
287.20221	0.9
291.20981	0.6
295.20517	1.0
297.22061	1.2
309.22125	1.1
311.23608	0.9
313.21790	0.6
315.22968	1.4
323.23688	1.7
325.21756	0.7
325.25269	0.7
327.23074	1.1
330.63345	0.5
337.25195	0.9
339.23312	0.6
341.24774	0.9
349.25171	0.5
353.24570	1.2
365.24747	0.7
367.26035	0.9
386.28458	0.5
407.33688	0.5
417.31396	3.8
435.26611	1.0
435.32556	15.0
453.33569	6.8
471.34775	3.3
473.34167	1.2
491.35217	1.4
509.36145	8.3
527.37231	100.0
528.37653	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	527.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.7
55.05508	11.7
57.03409	1.7
57.07064	2.2
59.05003	2.0
62.91573	1.1
63.98065	1.1
64.22057	1.1
65.03931	2.1
67.05495	53.2
68.05835	1.1
69.03416	5.1
69.07056	23.7
71.04966	2.6
71.21722	2.7
79.05479	10.6
81.03416	5.5
81.07047	32.9
83.04968	31.4
83.08602	7.3
83.50873	1.1
85.02879	1.3
85.06535	1.4
86.13868	1.1
91.05470	10.6
93.07037	13.4
95.04960	6.3
95.08029	2.0
95.08595	22.2
97.06515	3.9
97.10162	3.6
103.12999	1.0
104.10835	1.2
105.07014	16.7
107.08584	19.3
109.02876	1.2
109.06519	6.3
109.10143	100.0
111.04460	1.4
111.08070	2.6
115.05431	1.5
116.06202	1.2
117.06997	4.8
119.08568	16.0
121.06474	2.0
121.10133	11.7
123.08076	3.5
123.11686	12.7
125.09622	3.4
128.06197	1.9
129.05571	1.1
129.07045	5.5
131.08557	10.1
133.10126	11.0
135.08052	2.5
135.11703	13.4
137.09610	2.8
137.13194	1.2
139.07544	1.8
141.06967	3.3
142.07755	3.5
143.08527	11.5
145.10085	11.9
147.11670	6.5
149.05956	1.3
149.09596	3.5
149.13258	2.9
151.11176	14.3
151.14781	3.1
154.07840	1.8
155.08534	9.5
156.09276	1.7
157.10114	12.8
158.10878	2.0
159.11705	10.3
161.09592	1.4
161.13187	4.4
163.11169	1.9
163.14790	3.0
165.12729	2.3
167.08426	2.2
169.10167	7.9
171.07996	1.8
171.11682	11.1
173.11809	2.4
173.13239	6.3
175.14696	2.5
177.09088	1.4
177.16371	2.2
178.07796	1.3
181.10103	4.3
182.10838	2.4
183.11674	7.6
185.13228	6.1
187.14754	2.3
189.12753	1.3
193.10229	2.3
193.12152	1.7
193.15840	1.4
195.11737	7.0
197.09607	2.3
197.13217	6.7
199.11148	2.0
199.14825	3.4
201.12640	1.3
207.11720	1.9
208.12434	1.2
209.13313	6.2
211.11082	1.3
211.14822	4.6
213.12711	2.0
213.16353	1.7
215.10693	2.0
215.17952	6.5
217.15926	1.3
221.13173	2.7
223.14850	2.1
225.16344	2.6
229.12222	1.4
229.15979	1.7
231.13739	1.5
233.18976	1.6
237.16307	5.4
239.14392	1.6
239.17905	2.2
241.12143	2.1
243.13834	1.9
255.13803	2.0
255.17496	1.6
257.15341	2.5
277.19302	1.4
283.16879	4.7
285.14749	1.2
299.19879	1.6
301.17981	2.7
321.22192	1.3
323.20026	1.6
341.20850	2.7
353.24921	2.3
391.26495	1.7
399.25409	2.5
403.29825	2.2
409.27457	2.0
421.31094	4.1
431.29321	4.2
449.30573	7.2
467.31912	8.9
527.34381	72.0
528.36182	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01864	2.7
55.05504	2.4
57.03419	3.5
61.02918	2.3
67.05497	12.1
69.03069	1.7
69.03416	21.7
69.38636	2.1
69.39043	9.5
71.04993	3.3
73.02909	1.6
79.05479	2.6
81.03410	19.1
81.07033	9.1
83.04986	6.5
85.02894	5.7
85.06434	1.2
87.04422	2.4
91.05491	2.8
92.83414	1.1
93.07012	4.6
95.04980	3.0
95.08580	7.7
97.02882	7.3
99.04455	7.0
107.08595	3.1
109.02867	28.1
109.06507	1.4
109.10144	37.9
111.04440	7.8
119.08588	2.7
121.06532	1.2
121.10152	1.2
125.05937	1.3
127.03902	14.7
129.05447	8.4
135.07986	2.5
137.09598	100.0
145.04948	2.2
147.06528	5.4
155.10599	6.5
163.07579	1.7
165.07617	5.5
165.09088	85.2
177.93280	1.1
183.08615	14.8
183.10188	6.6
187.06024	2.0
190.97696	1.2
201.11191	10.4
205.06985	2.3
247.08102	2.2
283.05820	1.2
291.12180	8.1
309.13297	50.9
327.14294	14.3
345.15247	1.9
369.47348	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01852	2.1
55.05491	3.4
57.03418	2.9
61.02920	2.2
65.03875	1.0
67.05489	13.5
69.03081	1.1
69.03419	19.7
69.07076	0.9
69.98814	4.9
71.04980	2.1
73.02895	2.4
74.09689	1.3
79.05465	1.8
80.85571	0.9
81.03410	17.6
81.07046	6.9
81.43736	0.9
83.04962	6.3
85.02889	7.9
86.10306	0.9
87.04445	2.3
91.05427	1.1
93.07026	2.5
95.04939	3.0
95.08581	5.0
97.02908	6.6
98.20729	1.3
99.04428	7.5
99.08070	1.0
103.03931	1.1
107.08575	2.9
107.29306	0.8
108.08905	1.0
109.02863	25.5
109.06481	3.1
109.10142	44.6
111.04443	5.7
119.08543	3.3
121.10093	1.1
125.02334	1.0
125.05953	2.7
127.03897	22.6
127.04796	1.7
129.05409	8.0
135.08008	3.4
137.09593	100.0
145.04915	1.0
147.06526	5.2
147.07802	0.8
155.10632	6.9
163.07599	1.2
165.07610	6.4
165.09081	88.0
169.04953	1.5
183.08600	14.5
183.10161	7.6
187.05946	5.0
201.11189	12.8
203.35492	1.0
205.07036	4.3
229.07011	2.5
232.13342	1.0
238.81271	0.9
247.07996	1.8
289.09073	1.4
291.12277	7.1
309.13287	49.6
327.14337	14.3
345.15228	2.2
402.53104	1.0
491.20795	2.0
520.01874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.96553	0.4
57.03430	1.1
58.99857	0.3
61.02920	1.1
69.03419	4.2
70.06586	0.4
70.89575	0.6
71.01366	0.2
71.04978	0.7
73.02905	1.2
75.40388	0.2
77.00916	0.6
80.93536	0.2
81.03406	1.9
81.07047	0.3
82.04193	0.2
82.99865	0.5
83.04945	0.6
83.58913	0.2
84.04488	0.4
84.08117	0.2
85.02891	8.2
85.06519	0.4
86.03235	0.3
86.06067	0.4
87.04457	0.6
91.03921	0.3
92.24566	0.2
94.99866	0.5
97.01431	0.6
97.02887	5.3
98.03221	0.4
98.97565	1.9
99.04437	0.8
101.00859	1.9
103.00636	0.4
103.02415	1.5
105.00439	0.3
106.28408	0.2
109.02853	1.3
110.97572	0.4
111.02957	0.3
113.00889	1.0
115.02404	2.0
115.03951	0.2
116.98604	1.4
117.03950	0.4
119.01910	8.5
120.01962	0.3
121.01656	1.1
121.02753	1.2
121.03568	0.5
121.06477	0.2
125.52251	0.2
127.02420	0.5
127.03918	3.0
128.98586	0.6
129.02167	0.4
129.03963	1.4
130.08635	0.5
131.00243	0.4
131.01895	7.0
131.05597	0.4
133.03455	16.5
134.99655	0.6
135.03151	0.6
136.06192	0.9
137.00911	0.3
137.01990	0.4
137.02945	1.2
137.04556	0.7
137.05991	0.4
139.02455	0.3
141.03954	0.9
143.01866	4.9
143.03587	0.3
143.05493	0.4
145.01683	0.5
145.03473	6.0
145.04956	2.8
146.03526	0.3
147.01382	0.5
147.03314	1.3
147.05042	5.3
149.01089	0.2
149.02931	1.2
149.06615	0.9
150.02718	0.3
151.04517	3.7
152.02414	0.4
152.05659	0.3
153.04073	0.6
153.05788	0.5
155.00610	0.5
155.01866	7.3
155.05540	0.4
156.02646	1.0
157.01651	0.7
157.03438	7.1
158.99638	0.3
159.03130	1.5
159.05013	9.0
161.01445	0.5
161.02934	8.2
161.06567	1.6
161.55704	0.3
162.99327	0.2
163.02721	1.0
163.04649	1.6
164.99139	0.6
165.04124	0.4
165.06102	1.4
167.01871	0.4
167.05627	0.3
167.07043	0.8
169.03436	3.2
170.52480	0.3
171.03430	0.5
171.05003	7.5
172.05209	0.5
173.02959	10.4
173.04495	0.4
173.06563	1.6
174.03078	0.5
175.02783	1.4
175.04535	6.4
175.06097	0.4
177.00829	0.5
177.04305	1.5
177.06085	7.5
179.01913	1.2
179.03987	0.2
179.07370	0.3
180.03654	0.3
181.03378	0.5
183.03445	0.4
183.05023	5.4
184.04521	0.3
184.55841	0.4
185.02936	3.6
185.06636	2.9
186.03049	0.4
187.00999	0.4
187.02747	0.3
187.04512	7.6
187.06232	0.6
187.08083	0.4
188.04871	0.4
189.00804	0.3
189.02533	0.4
189.04324	0.9
189.06099	4.9
191.04036	0.6
191.05757	0.5
191.07541	0.4
193.03455	1.2
195.05217	0.8
195.07103	5.8
196.04576	0.4
197.02927	4.1
197.06573	1.6
199.02771	0.5
199.04492	3.5
199.08191	0.6
200.07735	0.3
201.00941	0.4
201.04327	1.5
201.06123	4.5
202.05032	0.5
203.00758	0.4
203.04002	4.6
203.05836	0.7
203.07561	2.8
204.04138	0.7
205.02168	0.4
205.03818	1.1
205.05589	1.8
207.03299	0.3
207.05098	0.9
211.04526	4.3
211.06468	0.3
211.08334	0.3
213.04277	0.6
213.06088	2.0
215.00633	0.5
215.04222	0.5
215.05838	0.4
215.07622	2.4
217.02231	0.6
217.05580	1.9
217.09190	0.5
218.06378	0.5
219.01817	0.9
219.07115	20.8
220.07544	0.5
221.01768	1.1
221.05037	14.2
222.05338	1.0
223.04706	3.8
223.06557	0.7
225.06050	2.6
226.05861	0.3
227.04068	0.5
229.02089	0.4
229.05502	1.8
231.07117	24.0
232.07455	1.0
233.03577	0.4
233.06525	0.4
233.08698	5.4
235.03264	0.6
237.02716	1.6
237.06126	0.5
237.08351	0.3
239.05948	0.5
240.57837	0.3
241.05580	0.7
241.07585	0.6
242.08453	0.4
243.07214	1.0
243.52809	0.3
244.01993	0.3
244.07809	0.4
245.01883	0.7
245.05049	18.3
245.08696	1.5
246.05437	1.1
247.04674	1.3
247.06689	1.1
248.06912	0.3
249.04352	0.3
249.06604	1.1
251.04430	0.3
251.08832	0.2
253.06618	0.3
255.07130	7.9
255.09610	0.5
256.07123	0.3
257.01865	0.4
257.05072	0.9
257.08658	0.4
259.06711	12.1
260.06714	1.0
261.06244	2.1
261.08765	3.2
261.56445	0.3
262.07013	0.4
263.02902	0.5
263.06158	1.5
263.09946	0.3
265.04156	1.1
265.07684	0.7
268.07260	0.4
271.03473	0.6
271.06528	0.4
273.05045	0.7
273.08176	7.8
274.08932	0.3
274.59155	0.3
275.06158	0.5
275.09799	0.3
277.07748	0.7
277.57370	0.3
279.09357	3.6
283.05621	0.9
285.08337	0.4
287.09595	0.3
289.04517	1.0
289.07617	10.9
291.09283	2.0
292.09299	0.3
293.10794	1.1
296.09570	0.4
298.57996	0.2
303.09708	1.8
304.08881	0.3
305.07339	1.3
305.10800	7.0
306.10977	0.4
307.05518	0.7
307.08676	8.4
309.10458	0.4
312.08893	0.4
313.10468	0.7
317.07425	0.4
318.07681	0.6
319.05502	0.5
319.08780	2.9
319.59061	0.3
320.09070	1.0
321.10315	100.0
321.60397	0.5
322.10529	3.2
323.11725	1.0
330.10480	0.9
333.03278	0.5
333.58743	0.4
335.08386	0.5
335.12146	0.4
336.08057	0.3
337.09323	0.9
338.10138	0.3
339.11456	12.9
347.04764	0.4
347.08380	0.5
347.11923	2.1
349.09933	1.2
351.04599	0.8
355.07745	0.3
357.61414	0.3
362.12790	0.9
365.09268	1.5
367.10849	2.5
368.11078	0.5
375.04282	2.2
377.05972	2.6
378.12128	0.3
379.10953	0.5
380.07285	0.4
380.12451	0.3
380.62045	0.5
381.12354	0.6
383.10782	0.4
391.07700	0.7
393.05667	1.4
393.12601	0.3
407.10590	1.5
408.11679	0.3
409.11609	0.8
425.11243	2.6
435.09467	0.9
437.11203	1.0
439.13068	2.1
449.10294	0.5
451.12885	0.4
467.12518	18.4
468.12729	0.4
477.09430	0.4
495.11838	6.3
497.13632	1.0
509.13385	0.5
527.14862	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	526.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.1
55.01859	4.8
55.05501	25.4
57.03440	15.9
59.40259	2.2
65.03924	3.8
65.23930	2.3
67.05497	67.0
69.03404	4.1
69.07058	14.4
69.43140	17.5
71.04975	6.5
79.05482	82.0
81.03407	54.6
81.07049	64.6
83.04964	24.5
83.08611	19.9
85.02882	18.7
85.06521	4.7
91.05468	72.4
93.06460	4.1
93.07032	77.4
93.07617	3.9
95.04956	35.3
95.08595	37.7
97.02869	4.3
97.06509	8.8
97.10158	7.5
99.04427	2.7
99.08097	2.7
105.07016	62.0
107.04945	13.1
107.08581	23.0
109.06494	7.7
109.10146	8.6
111.04556	2.8
111.08059	9.2
117.07009	8.2
119.08559	44.5
121.06477	6.1
121.10100	12.6
123.08060	7.0
125.09618	2.7
128.06238	4.2
129.06998	23.7
131.08519	12.3
133.10155	13.6
135.11714	3.8
143.08531	10.2
145.10135	14.3
147.08047	5.3
147.11665	45.6
147.74571	2.4
149.09602	4.9
157.10132	12.2
159.11670	3.4
161.09549	5.1
161.13245	15.9
165.12785	2.5
170.05814	2.4
171.11687	27.1
175.11177	10.0
189.12686	13.7
193.12215	31.6
207.13799	37.0
211.13229	41.7
267.15936	33.8
281.17447	100.0
285.16922	47.3
473.28946	68.0
474.29767	2.9
491.29980	95.5
526.35364	12.6
527.27924	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	526.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01858	0.9
55.05492	2.2
57.03413	1.0
67.05476	2.4
69.03410	2.3
69.07068	3.7
69.50584	6.5
71.04978	1.1
79.05491	5.0
81.03410	4.7
81.07050	3.5
83.04990	1.3
85.02886	2.9
85.06477	0.8
89.03910	3.8
91.05463	7.4
93.07024	16.4
95.04953	2.9
95.08563	3.5
97.02876	2.7
97.06512	16.9
99.04437	1.0
105.07014	4.9
107.08580	20.4
109.02820	2.3
109.06499	1.6
109.10126	2.6
117.03359	11.9
119.04904	1.5
119.08533	1.7
121.02850	6.2
121.10108	1.5
122.03233	1.0
123.04385	1.3
124.69011	0.7
127.03917	1.5
128.78622	0.8
131.08488	1.0
133.06471	1.7
133.10074	1.3
135.04343	1.2
135.11670	13.4
137.05965	9.5
137.09567	0.9
139.03867	1.7
145.02832	36.2
147.04344	4.3
147.11722	1.0
149.06003	5.4
161.05937	0.8
163.03799	0.9
165.09061	6.3
177.05446	100.0
178.05791	2.0
186.05446	1.0
189.09045	1.1
193.79697	0.7
195.06497	2.2
215.10718	2.2
225.08952	0.8
233.11699	20.5
254.05345	0.7
267.13773	1.3
283.08157	1.0
311.16360	1.8
321.09576	3.0
323.26746	0.8
329.17377	6.3
339.10782	8.0
347.18387	1.4
364.28516	2.6
385.16959	0.8
459.10629	0.8
526.30780	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	526.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03918	1.1
55.01851	1.1
55.05489	1.7
57.03423	0.7
61.65598	0.4
65.03928	0.6
67.05503	2.0
69.03407	1.0
69.07050	2.8
70.76082	1.3
71.04947	0.6
73.90988	0.5
79.05476	3.9
81.03396	1.8
81.07050	3.1
83.04955	0.6
83.08578	0.5
84.95872	0.4
85.02879	1.6
89.03882	4.3
90.49755	0.4
91.05463	6.3
93.07024	16.8
95.04937	1.8
95.08578	2.2
97.02872	0.7
97.06509	14.0
105.03371	0.4
105.07006	2.6
107.08569	19.3
109.02843	0.5
109.06488	0.7
109.10138	1.4
117.03358	14.1
117.06971	0.6
119.04909	1.4
119.08528	1.1
120.83648	0.3
121.02859	0.4
121.06497	0.4
121.10134	0.7
122.10423	0.5
123.08019	0.4
125.09589	0.6
129.06937	0.4
131.04901	0.4
131.08524	0.7
133.10107	0.8
134.03575	1.3
135.04402	1.2
135.08014	0.5
135.11664	13.8
137.05952	9.2
139.03856	0.5
145.02817	40.5
145.10115	0.8
147.04393	2.5
147.11626	0.7
149.05946	5.9
149.09615	0.6
151.03889	0.7
157.10080	0.7
158.05948	0.5
159.11659	0.4
161.09634	0.5
163.03854	0.5
163.07465	0.4
163.11137	0.6
165.12749	0.5
169.10092	0.4
177.05435	100.0
178.05745	2.3
186.05467	1.7
189.05539	0.8
189.09087	1.4
193.45151	0.4
195.06441	1.1
199.07567	0.4
201.09053	0.8
213.09042	1.1
215.10620	2.7
225.08983	0.5
227.10735	0.6
229.12263	0.6
233.11678	23.8
234.12192	0.5
243.10123	0.9
249.12578	0.4
283.16803	1.9
285.14825	0.6
311.16437	3.4
321.09677	0.8
329.17410	6.5
330.59335	0.4
339.10574	2.3
347.18372	1.2
356.38998	0.4
385.23663	0.9
403.85223	0.4
413.22855	0.5
431.24417	0.5
442.79150	0.4
455.19647	0.4
490.19318	0.4
503.50626	0.4
508.29578	0.6
526.30414	1.8
545.81287	0.6
549.73090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55486	0.8
53.03934	2.8
55.01856	1.8
55.05501	3.2
57.03411	2.9
63.71933	0.7
67.05492	17.0
69.03421	6.1
69.07048	5.2
69.97427	1.3
69.97733	4.9
71.04981	6.8
79.05473	7.7
81.03401	14.5
81.07043	12.2
82.86948	0.9
83.04971	3.2
83.08598	1.1
85.02907	8.1
85.06515	2.4
91.05463	8.4
93.07008	7.4
95.04934	5.5
95.08604	8.6
97.02889	5.9
97.06512	25.3
97.10128	1.2
99.04436	3.3
99.08070	1.7
105.07005	4.2
107.04899	1.1
107.08580	5.0
109.02872	14.7
109.06483	2.8
109.10136	43.1
110.10429	1.0
117.03283	1.0
117.06957	1.1
119.04913	9.3
119.08578	4.6
120.89867	0.8
121.02861	2.2
121.10138	2.8
123.04405	2.3
123.07985	1.2
123.11685	1.7
125.05936	2.3
125.09616	1.4
127.03898	7.8
129.05450	1.6
129.06914	0.9
131.08565	0.9
133.10120	2.3
135.08023	2.1
135.11717	2.1
137.05963	11.3
137.09592	100.0
138.09955	0.9
139.03871	1.3
139.79967	1.0
145.02827	3.0
145.10072	1.7
147.04390	44.4
147.11667	1.9
149.05986	1.5
149.09557	1.3
155.10635	5.9
163.03848	0.8
163.07536	1.3
165.05380	2.0
165.09088	82.5
165.12741	6.8
169.10030	1.3
177.05428	7.0
178.05730	1.6
181.08554	1.3
183.10139	6.7
183.13669	1.6
189.09050	1.7
201.11174	12.3
215.10652	1.1
233.11688	33.5
285.15118	1.0
291.12106	6.6
309.13260	53.7
311.16428	1.9
327.14340	15.6
329.17343	6.9
345.15353	3.6
347.18436	2.3
456.56274	0.9
521.60516	0.8
526.30548	4.8
554.42133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.3
55.05507	0.2
57.03427	0.4
57.22947	0.2
61.02910	0.6
61.96039	0.2
64.86508	0.2
69.03420	1.4
70.06573	0.7
71.61461	0.2
71.61829	0.2
73.02913	0.3
78.04707	1.3
79.05476	0.5
80.57237	0.2
81.03400	0.7
81.07078	0.2
83.01331	0.2
85.02901	4.9
86.06057	0.3
91.03946	0.3
91.05470	0.2
93.07030	0.2
95.04940	0.4
97.02882	1.5
98.97555	0.2
99.04482	0.3
106.04147	0.8
109.02872	0.6
110.07204	0.2
115.03992	0.2
116.98602	0.2
121.02887	0.2
123.04411	3.3
124.05241	1.1
127.03902	1.3
137.05920	0.4
145.04961	1.5
147.04372	0.3
149.05995	0.2
149.09613	0.6
151.03938	0.9
152.04689	1.0
154.08557	0.2
163.03934	0.3
163.05942	0.2
167.07031	100.0
167.61201	0.2
168.07346	0.9
177.05515	0.4
180.08684	0.5
184.69527	0.2
229.11798	0.4
272.15408	0.2
526.27618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97547	1.6
53.51243	1.5
54.30262	1.6
55.01834	1.6
55.05497	16.1
57.03411	2.2
57.07070	10.4
59.04983	2.7
60.37569	1.6
64.36037	1.4
67.05221	1.7
67.05499	21.8
69.03415	7.2
69.07059	55.4
71.04987	3.8
71.08617	3.7
71.14286	4.4
79.05487	9.6
81.07044	100.0
83.04921	2.4
83.08613	16.8
85.02887	10.3
85.06064	2.2
85.06532	16.8
91.05473	7.1
93.07033	26.6
95.04937	3.8
95.08592	72.8
95.47359	1.6
97.02876	3.2
97.06509	9.8
97.10138	6.5
99.08100	14.9
105.07020	7.9
107.08588	25.4
109.02877	3.2
109.06524	1.9
109.10143	36.2
111.08073	16.3
111.11716	20.4
113.09620	3.2
119.08530	6.5
121.10107	17.6
121.57355	1.8
123.11693	42.2
125.09631	4.8
125.13250	4.1
127.03870	2.5
127.11163	6.7
131.04942	3.0
133.07744	1.5
133.10110	5.6
135.11685	15.5
137.09572	2.6
137.13234	33.8
139.11145	5.8
145.02791	3.8
145.10023	1.7
147.04362	4.2
147.11681	5.1
149.13231	28.6
151.14813	2.2
153.12712	23.1
155.14275	6.5
161.13167	2.7
163.14818	7.9
165.12776	2.3
165.16344	2.3
167.14320	6.7
171.13708	9.3
173.13216	1.7
173.15359	6.6
177.05432	6.1
177.16360	3.7
189.16438	2.4
191.17834	2.6
205.19514	2.7
223.20528	5.3
239.23618	2.3
273.25739	3.7
279.26746	9.7
279.51556	1.7
291.26770	23.1
297.27805	12.3
309.27832	51.6
315.28854	7.9
327.28864	10.6
345.29907	13.6
452.65903	2.0
455.99640	1.8
525.12976	3.1
525.19928	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	525.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98897	0.5
53.03928	1.7
55.01863	1.9
55.05254	0.8
55.05502	9.6
57.03425	2.5
57.07061	1.5
59.04971	0.6
63.18244	0.6
65.03931	1.1
65.82124	0.5
67.05492	16.7
69.03416	0.9
69.07054	7.9
69.35441	0.6
69.35742	6.0
71.04983	1.9
76.53838	0.5
79.05481	10.8
81.03405	2.3
81.07043	16.5
83.04944	3.0
83.08617	4.5
84.08112	0.5
85.06521	1.3
91.05463	13.1
91.05997	0.9
93.07025	12.0
95.04955	2.9
95.08596	12.0
97.06516	2.3
97.10165	3.9
99.08076	1.0
105.07010	13.2
107.04962	1.1
107.08575	7.2
109.06490	1.3
109.10133	7.2
111.08061	1.4
115.05440	1.5
117.07005	6.8
119.08563	9.2
119.09351	0.9
121.10113	4.3
123.08059	1.9
123.11694	1.1
125.09618	2.6
128.06192	2.9
129.06984	9.9
131.08548	11.9
133.06419	0.6
133.10107	6.4
135.08052	1.0
135.11690	1.9
137.09601	0.9
139.04027	0.6
141.06938	5.5
142.07774	3.6
143.08531	12.2
145.06523	0.7
145.10098	9.3
147.08081	1.0
147.11658	3.0
149.06046	0.6
149.09644	1.0
151.11090	0.7
153.07016	2.0
154.07791	2.0
155.08533	13.2
155.10533	0.7
156.09354	1.1
157.06587	0.6
157.10114	12.2
159.08099	1.0
159.11685	4.0
161.09680	0.7
161.13289	1.3
163.11220	0.8
165.06985	1.6
166.07751	1.1
167.08524	5.9
168.09329	2.0
169.10104	12.4
170.10851	0.7
171.08029	0.8
171.10190	1.2
171.11638	11.7
173.13272	3.3
175.11275	0.9
178.07790	1.0
179.08566	2.5
180.09248	1.3
181.10085	8.9
182.10875	1.3
183.11656	14.2
183.13199	1.0
185.09724	0.7
185.13242	6.8
187.11096	0.7
187.14929	1.1
193.10141	4.0
193.11986	0.9
194.10910	0.6
195.11670	10.1
196.12532	0.6
197.13226	8.8
197.14977	0.7
199.11324	0.6
199.13243	0.7
199.14796	2.8
201.16286	0.6
205.10115	1.4
206.10930	0.7
207.11682	3.8
208.12471	1.0
209.13214	8.2
211.11317	0.8
211.14777	3.0
213.16420	1.4
215.14359	0.8
219.11703	2.1
220.12419	0.7
221.13257	4.9
223.11183	0.7
223.14792	5.0
225.12733	0.8
225.16370	1.6
233.13277	1.8
235.14767	2.8
237.16393	2.3
239.14470	0.8
239.17949	0.9
245.13049	0.8
247.14886	1.5
249.16492	1.3
251.17883	1.3
253.15906	0.8
255.17632	0.7
261.16434	1.2
263.17896	1.3
265.19547	1.1
277.19354	0.9
283.17133	0.7
295.20569	1.3
297.22220	1.3
305.22647	0.7
307.20581	1.9
309.22122	1.8
311.20078	1.1
315.23361	0.9
321.22107	1.8
323.23636	1.3
325.21622	0.6
327.23062	1.1
333.21777	0.7
335.23770	2.2
337.21655	1.3
339.23157	1.4
351.23245	1.4
353.24530	1.5
359.23605	0.7
363.23108	0.8
365.24521	1.2
379.26102	0.8
391.26416	0.6
405.31641	0.9
413.27109	0.8
415.29959	6.2
423.32739	0.9
433.30975	18.2
435.93857	0.6
451.32138	9.2
469.33252	3.6
471.32449	1.7
481.32764	0.8
489.33478	3.9
507.34680	14.9
507.42056	0.6
525.35748	100.0
526.35809	3.7
530.11255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56394	3.2
53.03934	10.9
55.01861	20.2
55.05502	48.2
57.03423	8.3
57.07050	12.4
59.05006	19.9
59.05240	4.0
65.03941	5.9
67.05164	6.7
67.05495	92.0
69.03403	14.8
69.07059	29.9
71.04978	39.4
73.02890	3.5
79.05054	5.6
79.05480	80.1
81.03411	56.9
81.07050	96.9
83.04985	32.0
83.08612	36.5
83.89649	3.3
85.02896	18.2
85.06536	18.5
91.05469	69.0
93.07029	75.5
95.04955	39.0
95.08594	55.6
97.02875	8.3
97.06529	24.9
97.10149	17.4
98.20734	11.2
99.04432	6.8
105.07014	72.4
107.04932	17.8
107.08584	57.7
109.02829	5.0
109.06501	27.3
109.10143	34.0
111.04412	13.2
111.08070	23.7
113.05961	4.3
117.07006	11.1
119.04947	6.3
119.07784	4.6
119.08568	54.1
121.06520	17.6
121.09292	5.7
121.10129	60.6
123.04395	12.6
123.08020	12.8
123.11657	16.3
125.06001	7.9
125.09619	31.2
129.07002	23.1
131.08551	46.2
133.06523	5.1
133.10103	38.7
135.04381	8.6
135.08046	11.8
135.11690	34.4
137.05969	12.5
137.09619	10.5
139.03854	4.4
139.07478	4.5
139.11162	4.7
142.07776	5.1
143.08530	12.6
145.10107	32.4
147.04384	9.9
147.07982	11.5
147.11662	44.0
149.02341	5.9
149.09595	47.6
149.13242	8.3
151.03870	6.6
151.11115	6.2
153.09062	7.6
153.12721	8.9
155.08511	8.7
157.10092	24.0
159.11687	17.9
161.09608	8.4
161.13222	8.4
163.03926	6.1
163.11177	35.1
165.12730	8.8
167.10719	9.3
169.10075	10.4
171.11638	8.5
173.09590	12.0
173.11719	3.6
173.13216	10.3
175.11163	24.8
175.14690	5.5
177.05417	4.5
177.12724	8.1
181.12178	14.2
183.11661	4.6
185.09532	5.2
185.13251	7.5
187.11180	5.7
187.14757	4.5
189.11154	10.7
189.12666	7.3
191.10645	15.1
193.12227	44.2
197.13217	3.9
197.15343	3.5
199.13321	4.2
207.13760	8.6
209.11647	11.0
211.13225	55.4
211.14966	6.6
222.85300	3.9
223.13179	4.7
225.14810	9.1
227.12679	19.4
231.13777	6.4
235.13089	4.8
241.14191	5.8
249.14850	11.2
257.55606	3.7
259.15378	8.4
267.15842	18.1
283.15417	17.2
315.18219	3.9
329.17621	7.0
355.22403	7.5
365.20975	5.5
373.23666	7.2
383.22006	11.2
401.23047	12.9
415.24765	5.6
433.25797	10.8
447.27393	5.0
457.26022	5.0
475.26749	17.6
493.27719	19.2
507.29401	56.2
525.30530	100.0
546.56464	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	524.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01144	1.7
52.65255	1.8
53.03951	3.4
53.05706	1.9
55.05502	15.4
57.03432	12.1
57.07055	8.3
57.91947	1.9
59.04994	3.0
65.03917	2.6
67.05495	100.0
69.07063	13.3
71.04987	4.7
71.08610	5.8
72.01577	1.6
79.05490	21.4
81.03400	4.8
81.07047	49.0
81.51393	1.8
82.07377	1.9
83.04983	2.8
83.08596	12.0
83.47328	2.2
85.06523	3.8
85.10188	3.8
85.13570	2.1
87.04468	2.3
91.05476	17.2
93.07027	27.1
95.04982	2.4
95.08034	3.0
95.08593	33.0
97.06548	2.2
97.10157	4.2
105.07040	9.8
107.04859	2.2
107.08589	17.8
109.10142	72.3
110.10509	2.0
111.08091	4.6
117.07013	3.4
119.08575	13.2
121.10120	14.8
123.11674	4.9
125.09531	1.8
131.08557	6.5
133.10088	6.9
135.11674	8.8
137.13219	2.1
145.10086	7.2
147.11684	5.7
149.13235	4.7
155.10664	3.8
159.11693	5.5
161.06673	1.7
161.09529	2.0
161.13310	3.6
163.14822	4.0
173.11758	24.5
173.13161	4.6
173.75232	2.0
187.14711	2.2
193.12280	3.0
211.13264	2.9
229.14319	87.2
243.21074	3.2
261.22073	16.6
315.16098	1.9
316.00369	2.2
317.25037	2.4
335.25751	85.7
425.34433	4.8
443.34930	11.8
461.36029	6.4
489.35727	50.1
506.39209	3.7
524.40167	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	524.37
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.84522	0.2
55.05487	0.6
56.05015	1.0
57.03415	0.6
57.07060	3.3
58.06575	1.6
59.07380	0.4
59.70536	0.2
60.08150	16.8
67.05482	1.1
69.07040	0.5
70.67925	0.4
70.68317	0.4
71.07359	6.2
71.08620	2.2
73.87489	0.2
78.64480	0.2
81.03400	0.6
81.07043	1.2
83.08582	0.8
85.10163	1.1
86.09686	50.0
91.05441	0.3
93.07018	0.3
95.04960	0.3
95.08570	1.3
97.10121	0.6
98.98439	3.2
104.10719	100.0
105.11054	0.6
109.10181	0.5
124.99974	27.4
130.77574	0.2
143.00999	0.4
163.01524	0.6
172.29062	0.3
184.07298	96.8
193.12234	0.3
244.20401	0.2
258.10974	0.9
314.27863	0.2
341.30408	1.8
447.28448	0.3
506.35889	8.9
507.36514	0.3
524.36981	45.5
525.37054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05493	6.7
60.04245	1.2
60.04520	13.9
67.05490	4.5
69.03433	1.0
69.07038	2.8
69.43780	7.3
70.43410	0.8
71.04961	2.7
79.05495	4.0
81.03394	2.0
81.07040	9.2
82.06565	3.2
83.04970	53.1
83.08610	1.4
91.05485	5.5
93.07027	9.4
95.04945	2.6
95.08593	8.5
97.06513	1.1
98.06054	1.0
98.21525	1.7
99.04443	11.3
100.07598	4.0
105.07021	10.4
107.08593	10.8
109.06496	2.5
109.10120	4.9
111.04451	1.0
111.08075	0.9
117.06994	2.5
119.08559	15.7
120.43349	0.8
121.06463	1.4
121.10136	8.4
123.08035	1.9
123.11715	1.7
123.57564	0.8
125.05933	0.9
125.09641	1.1
127.07596	1.5
128.06224	1.2
129.07004	1.6
131.07895	0.6
131.08585	6.3
133.10097	9.0
135.08038	1.3
135.11697	4.6
137.09586	0.9
140.07043	3.9
142.07741	1.1
142.08687	0.9
143.08521	4.5
145.10104	10.3
147.08015	0.9
147.11665	7.3
149.09639	2.3
149.13278	2.4
149.77263	0.8
155.08562	1.4
156.09326	0.9
157.10129	5.8
159.11681	6.1
161.09624	2.6
161.13255	3.7
163.14815	2.9
169.10120	2.0
171.11618	4.3
173.09648	1.3
173.13237	6.5
175.11153	1.9
175.14757	7.3
177.16380	3.4
183.11682	2.9
185.09781	0.9
185.13228	6.8
187.11079	1.6
187.14806	11.5
189.12730	2.0
189.16389	5.6
191.14268	1.5
191.17938	0.9
195.11674	0.9
197.13268	2.0
199.14795	3.3
201.12717	2.9
201.16374	4.9
203.14339	2.3
203.17720	1.3
205.15961	0.9
209.13503	1.2
210.82343	1.0
213.12695	1.6
215.14340	1.1
217.15956	0.8
218.15387	1.9
219.13910	1.2
229.12265	1.0
230.15399	1.5
231.13780	4.5
245.15324	1.1
248.16432	2.0
301.16068	1.1
384.11533	1.0
401.28409	1.3
419.29385	1.1
437.30603	1.9
465.29959	1.5
467.62204	0.9
480.34665	63.9
481.35187	2.7
505.46054	0.8
506.32126	4.3
524.33691	100.0
525.34167	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	523.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01860	1.1
55.05506	7.8
57.03428	4.3
57.07067	25.9
64.97062	0.6
65.03927	0.8
67.05498	14.4
69.03413	1.6
69.07054	6.7
71.04977	2.3
71.08224	1.0
71.08619	17.5
78.15768	0.6
79.05485	9.0
81.03407	24.9
81.07047	21.8
83.04954	3.9
83.08607	14.8
85.02893	11.9
85.06520	0.8
85.10168	9.0
91.05472	11.4
93.07031	6.9
95.04960	10.2
95.08593	20.0
97.02917	1.2
97.06533	0.8
97.10155	5.1
99.11729	0.9
105.07014	8.5
107.04923	1.8
107.08584	2.6
109.06503	1.8
109.10152	7.7
111.04420	0.9
111.08060	5.2
113.05972	1.5
115.05408	0.9
119.08551	6.9
121.10126	5.3
123.11681	3.2
125.09573	0.9
129.06999	3.8
131.08554	4.3
132.08759	0.7
133.06454	1.1
133.10095	3.9
137.13246	1.2
139.14842	0.6
142.07698	0.7
145.10095	0.9
147.08081	0.7
147.11655	6.2
149.09592	2.2
157.10107	5.7
159.15086	0.7
161.90027	0.7
165.12724	0.8
175.11150	5.3
193.10391	1.1
193.12209	26.0
211.13252	31.5
214.91420	0.7
221.22583	1.3
239.23637	4.5
267.15875	8.4
285.17068	0.9
313.27316	6.8
395.64481	0.7
505.38754	5.4
523.39874	100.0
524.40344	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	524.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.6
53.03936	3.6
55.01867	0.7
55.05504	0.9
57.03445	0.8
59.04997	0.5
61.02903	0.6
67.05486	3.2
69.03436	2.4
69.07063	0.9
69.59449	3.6
69.88694	0.4
71.04954	0.8
79.05482	2.1
81.03410	23.6
81.07069	2.3
83.04983	0.6
85.02898	3.4
91.05457	1.5
93.07043	4.6
95.04956	1.4
95.08609	2.4
97.02885	1.7
97.06522	1.0
99.04449	3.3
101.05988	0.6
105.03382	0.8
105.07020	4.6
107.08584	10.7
109.02868	100.0
109.10149	6.8
110.03217	0.6
111.04430	1.3
117.07046	0.7
119.04964	0.8
119.08601	2.5
121.06472	2.5
121.10133	3.0
123.04437	0.5
123.11681	0.5
124.03900	0.4
127.03908	6.1
131.08548	0.7
133.10179	0.7
135.08047	1.6
135.11679	1.9
137.09596	21.5
140.31432	0.6
141.05397	0.5
145.04982	0.8
145.10118	3.6
145.73962	0.5
147.04355	1.1
147.08038	0.5
147.11777	0.6
149.05978	0.5
149.09607	1.4
153.09132	0.5
155.10699	0.7
161.09554	0.6
163.11168	8.5
165.09105	22.1
173.09618	1.0
175.03838	1.0
177.05473	0.5
181.12219	1.5
183.10085	0.6
187.68726	0.5
189.09151	0.6
191.10649	6.1
207.06580	2.3
209.11627	2.2
223.11363	0.5
227.12756	4.2
263.12762	0.7
280.84674	0.5
291.12234	0.8
317.13837	1.4
327.14343	56.6
328.14746	0.6
335.14810	2.6
353.15887	7.3
362.33356	0.4
371.16833	1.6
471.22412	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01854	0.8
55.05503	10.0
57.03435	3.7
57.07068	27.2
65.03928	0.8
65.90687	0.6
67.05495	18.5
69.03403	1.7
69.07053	9.2
69.41969	5.9
71.04979	3.3
71.08620	17.9
79.05484	11.9
81.03407	23.7
81.07045	25.2
83.04963	5.2
83.08604	18.1
85.02893	13.6
85.06537	1.1
85.10171	10.0
91.05468	14.2
93.07026	9.4
95.04958	12.3
95.08595	22.5
97.02881	1.0
97.06507	1.0
97.10161	6.2
98.21460	0.8
99.08055	0.9
99.11740	0.6
105.07015	9.6
107.04947	2.3
107.08574	3.6
109.06470	3.0
109.10146	7.2
111.04446	1.3
111.08071	4.9
111.11742	1.0
113.06002	1.8
117.06998	0.8
119.08559	8.3
121.06492	1.4
121.10119	4.2
123.08078	0.6
123.11683	2.8
125.05940	1.0
125.13272	1.3
129.06976	5.1
131.08528	4.9
133.06451	2.0
133.10107	4.6
135.11665	1.2
137.09657	0.8
137.13306	1.2
142.07724	1.4
145.10103	1.4
147.08040	1.3
147.11687	5.4
149.09601	2.5
151.14769	1.0
157.10097	5.5
159.72310	0.6
165.12749	1.2
175.11176	5.7
180.81250	0.6
193.12219	24.6
194.12492	0.9
202.60176	0.6
207.52489	0.7
211.13254	29.8
219.10002	0.9
239.23596	5.2
249.14674	0.9
267.15894	7.1
313.27283	5.7
357.06079	0.5
505.38760	3.9
523.39868	100.0
524.40198	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.3
53.03931	1.4
53.79269	0.3
55.01859	1.2
55.05505	9.7
57.03424	5.0
57.07068	29.8
57.31696	0.3
59.04987	0.4
60.80634	0.3
65.03922	0.9
67.05495	21.9
69.03416	1.7
69.07056	8.8
70.00777	0.3
71.04977	2.9
71.08621	22.4
77.03927	0.5
79.05485	11.5
81.03406	26.8
81.07044	24.1
82.07368	0.4
83.04964	5.8
83.08605	18.7
85.02895	13.4
85.06510	1.5
85.10168	11.5
85.10565	0.3
91.05466	14.6
93.07034	7.4
95.04350	0.6
95.04958	12.0
95.08591	22.6
97.02882	1.2
97.06498	1.8
97.10155	5.9
99.08090	0.7
99.11727	0.6
105.07016	11.5
107.04924	2.6
107.08589	4.5
109.06493	2.3
109.10141	9.8
111.04437	1.0
111.08067	4.8
111.11699	0.7
113.05997	0.9
113.13313	0.3
115.05450	0.7
117.07014	0.8
119.04893	0.4
119.08568	9.7
121.06489	1.1
121.10126	5.2
123.08089	0.6
123.11694	4.2
125.09628	0.8
129.06989	5.3
131.08556	4.7
133.06480	1.5
133.10109	4.9
135.11627	0.6
137.09607	1.0
137.13226	1.7
142.07764	1.4
145.10138	0.6
147.08031	1.5
147.11665	7.3
147.12773	0.5
149.09605	2.6
151.11293	0.4
157.10098	6.1
163.11153	0.4
165.12750	1.3
165.16347	0.4
175.11159	7.2
175.12527	0.6
183.90811	0.3
193.12215	29.0
194.12523	0.7
200.47827	0.3
211.13258	30.0
212.13672	0.6
221.22679	0.6
239.23650	5.6
246.81223	0.4
249.14861	0.9
256.26187	0.4
257.24469	0.3
267.15891	9.0
313.27319	11.1
505.39032	5.9
523.39874	100.0
524.40271	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.7
55.05503	18.6
57.03423	4.8
57.07069	8.0
59.04974	3.4
65.03895	2.2
67.05489	16.1
69.03419	7.2
69.07059	100.0
71.04971	4.4
71.51210	4.6
79.05479	6.8
81.03410	4.2
81.07050	54.6
83.04955	4.7
83.08607	13.0
85.02880	7.2
85.06519	21.5
91.05461	7.1
93.07015	22.6
94.42956	2.3
95.04954	4.8
95.08589	37.7
97.02872	6.6
97.06523	10.1
97.10145	7.2
99.04432	13.2
99.08072	12.5
105.07021	12.4
107.08583	23.3
109.02873	4.2
109.10140	39.4
111.08041	4.0
111.11699	29.5
119.08570	7.7
121.02850	4.5
121.10136	22.9
123.08062	3.8
123.11681	33.6
125.09635	2.7
127.03905	2.8
127.11179	6.9
129.12700	3.0
131.08560	3.3
133.10098	6.5
135.11668	10.5
137.05914	5.0
137.09592	4.4
137.13245	10.6
139.11163	28.9
145.10085	5.6
147.04390	21.4
147.11679	6.4
148.14520	2.7
149.13223	7.6
151.11105	2.5
151.14777	6.1
155.10672	4.3
157.12247	7.3
159.11674	4.3
161.13231	4.6
163.11208	3.8
163.14809	3.9
165.12759	5.3
167.14267	4.6
173.13225	3.0
177.05466	6.0
177.16357	2.9
179.14294	7.7
189.12729	2.9
211.16934	3.2
223.78122	2.7
229.18010	6.6
237.18419	3.6
243.19168	2.2
251.30736	2.4
259.23904	2.6
273.07474	3.4
277.25171	4.5
289.25278	12.0
295.26263	46.8
307.26266	93.8
308.26819	2.7
309.07239	3.4
325.27301	25.2
343.38425	2.4
523.16174	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	16.9
56.68768	1.9
57.03424	3.9
57.07058	10.4
59.04987	4.8
67.05492	18.3
69.03397	3.7
69.07055	100.0
70.32838	3.6
70.33250	8.3
71.04977	3.9
71.08591	2.5
79.05471	12.6
81.03407	3.3
81.06573	3.7
81.07042	71.0
83.04946	8.5
83.08611	13.5
85.02882	5.3
85.06516	15.6
91.05444	6.7
93.07031	25.6
95.04935	7.0
95.08588	46.4
97.02870	2.2
97.06512	10.7
97.10143	3.3
99.08070	8.2
105.07015	12.6
107.08582	23.7
109.06474	3.7
109.10141	30.9
111.08048	6.6
111.11696	22.6
113.09612	2.2
119.08534	8.4
121.10121	18.7
123.11689	35.4
125.09540	4.4
127.11156	7.1
131.08534	2.4
133.10089	8.3
135.11659	14.8
137.09569	3.4
137.13211	11.8
139.11148	21.4
145.10083	5.0
147.11658	7.5
149.13239	9.0
151.14767	3.4
153.12720	7.8
157.12199	3.8
159.08009	2.2
159.11671	6.2
161.13228	6.5
163.11180	2.1
163.14780	3.4
165.09093	2.6
165.12730	6.4
167.14305	4.6
171.13809	3.2
173.13254	4.7
175.14803	5.2
177.05452	4.7
179.14281	3.5
183.13857	3.2
187.14781	2.8
193.15950	2.5
237.18394	4.1
237.78276	2.2
277.25223	4.1
289.25211	10.4
295.26248	39.6
307.26242	71.0
313.27457	3.5
325.27383	26.4
343.28329	2.9
412.00815	2.2
523.15668	4.2
523.28174	3.6
524.19611	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	523.2168
Annotation	(-)-Isolariciresinol 3-alpha-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	1.3
55.01865	0.7
55.05491	0.9
57.03437	0.6
57.74828	0.4
59.04993	0.5
65.03922	1.8
67.05505	1.8
68.99767	0.6
69.03422	3.9
69.07041	1.3
69.38584	3.4
70.06580	0.5
71.04979	1.2
73.02927	0.4
79.05483	1.6
81.03407	6.7
81.07045	2.1
83.04958	1.0
83.08600	0.6
85.02890	3.9
85.06551	0.6
91.05466	2.4
93.07032	6.5
95.04960	7.2
95.08599	1.3
97.02883	5.5
97.06503	0.4
98.21525	0.8
99.04449	1.6
99.08115	0.4
103.05471	0.6
105.07031	2.2
107.04951	1.0
107.08579	1.9
109.02871	3.5
109.06499	1.0
109.10148	2.0
111.04408	1.9
111.08018	0.4
113.00592	1.6
117.06992	0.5
119.08559	1.7
121.02851	100.0
121.06484	8.4
121.10162	1.7
122.03178	0.9
123.02644	0.9
123.08021	0.5
123.11707	0.6
125.09566	0.5
127.03880	2.9
127.07565	0.6
131.08528	1.0
133.06435	0.5
133.10114	1.2
135.08046	0.5
135.11716	0.6
137.05966	0.9
137.09601	2.9
139.03880	17.0
145.02817	0.9
145.04921	1.9
145.10101	1.1
147.04422	0.6
147.08003	0.6
147.11639	0.6
149.05959	1.5
149.09605	4.4
149.13257	0.5
151.02135	0.7
157.10136	0.7
159.08101	0.4
159.11707	1.2
161.13297	0.4
163.03886	1.8
163.11205	0.7
164.04189	1.3
165.38115	0.3
169.03178	1.5
175.11162	1.7
177.05417	1.4
177.09120	0.5
177.12639	0.8
187.11166	1.3
189.12758	0.4
190.35915	0.3
193.12210	1.0
205.12216	5.1
213.02121	5.2
213.05409	0.4
215.07048	0.9
223.13268	9.0
223.85121	0.4
240.99443	0.4
265.07053	9.7
265.09799	0.7
280.29224	0.4
283.08118	13.7
283.11267	0.7
284.08411	0.5
291.93658	0.4
329.11319	0.7
400.45071	0.4
459.31064	1.3
523.16125	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
57.03398	1.3
60.10930	1.1
64.10943	0.9
67.05487	3.3
69.03403	4.2
70.88419	2.9
70.88770	1.2
74.84194	1.0
79.05488	2.7
81.03414	3.2
85.02888	3.5
91.05463	1.9
93.07018	1.3
94.06523	1.2
95.04973	2.3
95.08602	1.2
96.26498	1.0
97.02882	4.2
99.04446	2.7
107.04938	1.4
107.08569	2.6
109.02870	2.3
109.10137	4.3
116.46533	1.3
119.08618	1.8
120.04378	1.2
121.10136	1.2
127.03907	1.8
131.04825	1.2
135.04503	1.1
135.08037	7.9
137.09598	7.9
142.65450	1.1
146.03174	1.4
146.06009	1.3
160.07584	1.5
163.07553	4.5
165.07878	1.1
165.09135	4.7
167.07014	1.3
177.05492	4.4
178.05872	2.8
181.08643	1.5
186.19020	1.1
197.10658	1.6
199.08693	4.6
211.08594	6.0
212.09454	4.6
213.10255	6.8
214.07402	1.4
214.10941	1.2
223.08670	1.9
225.10083	7.6
226.07353	4.1
226.11005	4.7
227.08096	6.2
227.11824	4.0
228.08809	1.2
229.09618	1.5
237.10318	2.3
239.08125	2.9
239.11732	5.4
240.08905	2.9
240.12489	2.5
241.09660	7.4
241.13351	1.9
242.10461	2.6
245.12854	5.6
249.10419	1.2
251.11769	1.9
252.08969	1.0
252.10121	1.0
253.09714	10.3
254.10545	3.3
255.07442	1.5
255.11238	13.7
256.12158	1.8
257.12814	6.8
265.09610	2.1
267.08182	2.0
267.11212	15.0
268.09354	1.8
268.11996	9.1
269.09476	1.9
269.12878	2.5
271.10770	2.8
273.12305	1.2
279.11496	1.2
281.09238	3.9
281.12604	1.5
282.10172	1.3
283.10654	7.3
285.08716	3.7
285.12399	3.8
286.09799	2.1
286.13184	1.3
293.09232	1.2
293.12991	1.2
294.09857	1.2
295.10715	10.5
296.11584	4.0
297.09271	1.9
297.12103	7.5
299.10336	2.7
300.10983	1.4
301.11829	12.2
305.09097	1.2
307.10654	2.3
309.09186	1.4
309.12585	3.1
311.10413	1.9
311.14008	1.4
312.11035	1.9
313.08371	1.4
313.11713	24.8
314.12518	5.5
315.13321	1.6
321.08780	1.5
321.12457	2.9
323.10193	5.5
325.11816	4.0
327.13611	5.3
329.11328	3.3
335.13959	2.6
337.11700	3.0
339.09756	3.6
339.13354	3.9
341.11356	9.9
342.12021	5.6
343.13260	5.8
351.13583	1.5
353.15067	2.6
355.12924	7.5
357.10873	2.7
361.13672	4.9
363.13336	3.7
367.13104	2.2
371.12241	1.7
373.13882	10.7
374.14667	2.2
379.12854	6.1
381.14539	4.1
383.12320	2.3
391.13049	3.8
397.13794	2.4
399.15945	6.6
401.13440	13.1
409.13962	12.6
413.13409	3.6
425.13385	5.7
427.14981	13.6
429.12299	2.5
431.14441	1.3
433.16434	2.6
437.13550	5.3
445.16025	23.5
447.17358	1.3
455.14374	15.4
457.16122	3.9
463.16861	6.2
469.16055	7.3
473.15485	35.7
487.17126	15.4
491.16556	18.1
505.18115	73.4
506.18835	1.5
523.19196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.05495	18.6
67.05492	26.8
69.03399	5.4
69.07051	21.5
69.74567	31.7
79.05482	25.8
81.07048	64.6
81.85564	4.0
83.04961	5.8
83.08615	14.1
85.06535	5.3
91.05463	18.3
92.91302	4.4
93.07029	60.7
93.07554	7.6
95.04968	11.8
95.08593	96.3
97.06512	11.1
97.10133	8.9
98.21512	4.1
103.25137	5.1
105.07019	65.4
107.04963	4.3
107.08572	78.6
109.06514	14.0
109.10143	54.6
111.08085	6.2
111.38377	3.6
117.06978	6.6
119.08560	92.0
121.06507	13.8
121.10123	57.7
123.08071	10.1
123.11712	21.2
128.06216	7.2
129.06970	14.2
131.08545	36.4
133.10106	64.8
135.08054	14.6
135.11679	26.2
137.09612	7.3
137.13232	6.3
139.07573	5.9
140.32486	4.0
142.07744	5.9
143.08524	18.3
145.10094	61.7
147.08031	7.6
147.11656	58.4
149.09607	12.5
149.13258	24.6
151.03844	4.8
153.09091	6.8
155.08571	8.7
156.09378	5.9
157.10100	36.5
158.11032	5.5
159.07982	6.8
159.11655	50.7
161.09584	20.0
161.13239	38.4
163.11143	7.8
163.14799	32.6
165.12749	4.5
167.10666	4.7
169.10062	11.5
170.10921	4.8
171.11678	20.5
173.09628	10.3
173.13266	47.4
175.11189	18.9
175.14798	29.2
177.09016	6.2
177.12788	9.0
177.16342	31.5
182.10889	5.1
183.11681	17.6
185.13275	32.2
187.11127	6.6
187.14795	62.7
189.12741	34.8
189.16389	64.3
191.14287	17.4
191.17894	21.3
193.12198	6.7
193.15851	5.3
195.11655	6.5
197.13251	15.8
199.14796	24.9
201.12805	5.2
201.16379	27.7
203.14317	48.0
203.17955	33.2
205.15845	11.4
207.13680	9.8
209.13268	5.2
211.14885	9.2
213.16432	13.9
215.14291	19.4
215.17854	20.9
217.15834	19.7
221.15378	11.8
227.17744	7.7
229.15947	7.5
229.19528	13.2
231.17377	11.7
233.15457	21.3
235.16881	17.0
241.19460	7.4
247.16936	17.4
249.18488	10.6
254.55779	4.7
261.18448	19.8
263.45303	5.1
297.22189	7.3
309.21970	5.5
327.23114	18.7
375.30338	6.6
381.27554	10.2
387.30441	9.9
391.26450	5.0
393.31409	43.9
405.31686	34.7
409.27301	7.3
421.30917	54.8
423.32596	86.1
424.32462	5.4
427.28323	6.4
433.30972	23.0
439.32083	77.0
441.33551	44.8
451.32117	52.5
459.34641	56.0
469.33109	100.0
486.35635	8.3
487.33963	12.3
522.37561	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3548
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05499	1.8
56.05028	0.9
57.03423	0.6
57.07060	0.4
58.06598	1.3
59.40262	0.3
59.92125	0.3
60.08153	16.8
67.05500	1.4
67.78619	0.3
69.07056	2.4
70.71112	1.0
71.07365	6.2
71.64378	0.3
79.05478	0.7
81.07042	2.0
83.08604	1.5
85.02839	0.3
86.09691	49.5
91.05462	0.5
93.07011	0.9
95.04989	0.4
95.08594	1.5
97.06492	0.3
97.10165	0.8
98.98448	3.9
104.10725	100.0
105.07002	0.4
107.08574	0.7
109.10159	0.6
116.58074	0.3
121.10124	0.7
124.39506	0.3
124.99982	27.0
126.71980	0.3
128.87404	0.3
135.11658	0.5
147.38040	0.3
149.13274	0.3
163.01534	0.8
181.02573	0.4
184.07309	96.9
258.11038	0.8
339.28906	1.3
440.47491	0.3
481.84766	0.3
504.34430	8.6
505.34769	0.5
522.35474	41.6
523.35693	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.01867	2.6
55.05284	1.3
55.05506	13.1
57.07063	1.1
59.04979	1.3
61.56737	1.0
65.03929	1.4
67.05499	12.9
69.03402	1.7
69.07069	9.2
70.19980	5.1
71.04975	2.3
73.06582	1.2
79.05480	13.3
81.06565	1.9
81.07045	35.6
83.04974	3.8
83.08608	6.5
85.06544	6.8
91.05466	17.8
93.07030	36.1
95.04950	3.9
95.08591	45.9
97.06495	6.6
99.04450	10.2
101.05997	9.4
105.07015	64.2
107.08580	46.8
109.06501	4.5
109.10143	20.8
111.08070	3.5
115.05440	1.9
117.06995	13.5
119.08562	41.3
121.06490	4.4
121.10123	37.2
123.08041	4.6
123.11703	8.0
125.09579	2.3
127.07568	2.0
128.06187	4.4
129.06973	16.2
130.07784	2.7
131.08549	47.2
132.09285	2.3
133.10107	55.1
135.08037	4.8
135.11681	50.9
137.09610	3.9
137.13185	3.4
139.07526	1.7
141.07027	2.7
142.07793	6.6
143.08534	32.2
144.09288	3.6
145.10103	55.0
146.10704	2.0
147.08076	5.4
147.11668	40.5
149.09610	5.1
149.13245	14.3
151.11147	2.5
153.09099	2.8
155.08527	9.9
156.09303	3.6
157.10110	57.3
158.10765	1.1
159.08003	1.9
159.11671	57.1
161.09616	7.9
161.13232	32.7
163.11143	12.6
163.14786	4.4
165.09177	1.3
165.12753	5.2
167.08580	2.8
167.10698	2.7
169.10129	9.5
170.10907	2.6
171.08098	1.5
171.11667	36.3
171.62503	1.2
173.09560	5.1
173.13235	26.0
173.14673	2.4
175.11171	13.9
175.14789	13.0
177.09152	1.8
177.12711	24.2
179.14285	4.8
181.10115	3.0
181.12180	8.1
183.11714	10.5
184.12349	1.1
185.09645	4.4
185.13232	37.4
187.11115	3.9
187.14798	25.5
188.15273	1.3
189.09120	1.4
189.12672	8.8
189.16360	5.5
191.10619	4.0
191.14305	6.1
193.10417	1.6
193.12233	7.2
193.15968	2.0
195.10132	2.0
195.11729	5.0
195.13759	29.4
195.15462	2.3
197.13229	9.5
199.11118	4.7
199.14783	30.2
199.16536	2.1
201.12729	6.0
201.16377	10.4
203.10658	4.8
203.14232	7.8
205.12221	2.8
205.15813	6.4
207.13742	16.1
209.11597	2.6
209.13292	3.5
209.15050	5.9
211.14821	5.6
213.12704	5.5
213.16333	3.8
215.14314	7.2
215.17891	2.4
217.12268	5.9
217.15791	6.9
219.13771	6.5
219.17403	3.5
221.15338	13.4
223.14865	2.0
223.16866	2.1
225.12831	2.0
225.16293	4.8
227.14296	8.0
227.17790	1.9
229.15924	2.2
231.13759	16.5
233.13283	1.7
233.15340	10.1
233.18851	1.2
235.13017	1.4
235.16870	5.3
237.14671	2.0
237.18491	1.7
239.14345	1.7
239.17960	2.5
241.19333	1.5
243.13809	2.0
243.17445	1.5
245.15305	12.3
247.16879	1.9
249.14723	1.6
253.15660	1.4
253.19382	2.1
255.17268	1.4
257.19049	1.7
261.18567	1.2
263.16382	3.3
265.15640	1.1
265.19455	1.7
271.16873	1.5
279.21207	1.3
281.18973	1.3
281.22424	1.4
285.18619	1.8
287.19937	1.4
299.20087	1.3
313.21652	1.6
327.23334	1.9
335.23492	2.3
345.25745	8.0
347.27011	1.4
353.24667	5.5
363.26788	27.7
365.28314	4.6
373.25201	8.4
381.27835	100.0
382.28180	4.7
383.29315	9.9
391.26288	36.8
392.26501	1.7
399.28879	53.7
400.28946	2.2
409.27322	55.7
410.27835	2.7
427.28384	79.9
428.28983	3.0
445.29419	42.0
522.34216	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	522.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.4
56.05013	0.3
57.03421	0.3
57.07047	0.1
58.06627	0.4
59.07390	0.2
59.25774	0.1
60.08154	5.5
66.04408	0.1
67.05489	0.5
68.84702	0.1
69.07065	0.6
71.06973	0.1
71.07361	2.8
71.32967	0.3
79.05474	0.5
81.03410	0.1
81.07053	0.5
82.07420	0.1
83.03011	0.1
83.08607	0.4
83.51846	0.1
84.07015	0.1
85.10144	0.1
86.09692	28.0
87.10042	0.2
91.05492	0.2
93.07029	0.3
95.08590	0.3
96.08981	0.1
97.10151	0.2
98.69599	0.1
98.98446	2.3
104.10722	2.7
105.07023	0.2
107.08591	0.2
109.10162	0.3
119.08575	0.1
121.10126	0.3
124.99986	19.1
135.11696	0.1
143.00960	0.2
145.10175	0.2
159.02254	0.1
162.76212	0.1
177.23932	0.1
184.07310	100.0
185.07698	0.9
187.08000	0.1
207.87482	0.1
258.10901	0.2
339.29047	0.2
504.34543	1.2
519.79913	0.1
522.35394	3.9
523.35559	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	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01854	2.5
55.05494	3.1
57.03428	6.7
57.07059	1.1
59.04977	1.1
61.02919	3.4
67.05506	4.4
69.03418	13.9
69.07054	7.4
70.54587	0.6
71.01339	1.0
71.03329	0.9
71.03679	1.3
71.04991	5.3
71.50275	0.7
73.02904	15.8
74.09691	0.8
79.05482	4.0
81.03404	3.5
81.07043	13.2
82.07352	1.1
83.04953	1.7
83.08621	5.1
85.02893	25.9
85.06532	2.6
87.04454	1.9
91.03943	1.1
91.05470	3.6
93.07031	9.8
94.07359	0.7
95.04952	3.6
95.08598	12.3
97.02876	19.1
97.06529	9.3
97.10147	1.6
97.24207	0.7
99.04440	3.6
99.08092	1.2
105.01865	1.4
105.03384	1.0
105.07011	9.0
106.07352	1.3
107.08579	12.9
108.08904	0.9
109.02851	3.9
109.06493	6.7
109.10142	9.8
111.04478	0.8
111.08050	2.7
111.11703	1.6
115.03919	7.6
115.07554	2.7
117.03392	0.7
117.07025	1.1
119.04926	1.5
119.08568	11.9
120.08880	1.0
121.02859	1.5
121.06471	1.9
121.10120	7.4
123.04402	1.6
123.08050	4.7
123.11682	11.1
124.12083	1.0
125.09613	2.4
127.03899	9.4
127.07552	1.0
127.11153	1.7
131.04919	1.1
131.08588	1.5
133.04950	6.0
133.10110	18.1
134.10416	1.1
135.08061	1.6
135.11673	19.5
137.05980	1.5
137.09593	5.9
137.13240	1.3
143.10663	1.2
145.02794	2.3
145.04947	9.6
145.10126	2.3
146.03157	0.8
147.04387	3.0
147.08026	0.8
147.11646	2.7
149.05975	0.8
149.13242	10.2
151.07590	0.9
153.12740	2.0
155.10684	1.5
157.10103	1.2
159.11781	1.0
161.09589	1.6
161.13231	2.3
163.05981	2.9
163.07191	0.7
163.11140	1.9
165.12727	1.5
173.13176	1.8
175.14804	25.0
177.05435	5.9
178.05838	0.9
191.10515	1.2
191.14233	3.6
192.14685	1.3
193.12238	4.4
193.15865	38.0
194.16229	0.9
203.17926	3.1
207.06403	0.8
209.15263	1.1
211.16902	100.0
212.17258	2.8
221.18959	4.5
223.06007	1.6
241.07039	1.6
257.04446	0.8
259.08090	3.1
295.10138	1.7
305.24490	0.7
306.24982	0.8
343.21210	1.3
371.11319	1.2
373.22177	2.0
522.29132	0.7
523.15710	2.1
523.28717	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05509	4.9
57.03423	2.1
57.07061	0.9
59.04991	1.3
65.03921	0.8
67.05493	7.5
69.03436	3.8
69.07055	3.9
70.06149	3.4
71.04982	6.7
73.02911	1.6
73.06549	0.9
74.99031	0.6
76.30495	0.6
78.45320	0.6
79.05476	6.1
79.57757	0.6
81.03412	2.1
81.07049	20.3
82.07372	0.8
83.04954	1.6
83.08592	1.6
85.02887	7.0
85.06525	7.4
87.00850	1.3
91.05467	5.4
93.07040	14.8
95.04940	2.1
95.08592	9.1
97.02875	3.0
97.06508	1.1
97.10189	1.0
99.04452	1.7
99.08083	78.0
105.01847	3.1
105.07020	15.0
106.03724	0.7
107.04859	0.8
107.08583	16.2
108.95840	0.6
109.02853	2.3
109.06502	2.6
109.09564	0.7
109.10141	20.7
111.04407	0.7
111.08042	1.3
111.63676	0.7
117.07014	1.2
119.04958	1.3
119.08570	19.7
120.04497	1.3
120.08895	0.7
121.02803	1.0
121.06500	1.7
121.10156	5.9
123.08064	1.8
123.11705	5.7
125.09606	1.5
127.03884	4.1
127.11188	6.0
131.08574	1.5
133.04958	1.4
133.09097	1.6
133.10114	32.8
135.11679	27.7
137.05986	1.0
137.09599	10.0
137.13257	0.8
143.10638	2.8
145.04939	3.5
145.10081	1.6
147.04419	4.9
147.11656	6.6
149.13231	2.1
151.11142	3.4
153.12726	1.2
159.08044	1.0
159.11632	0.8
161.09570	1.0
161.13274	3.3
163.06018	1.4
163.11165	16.0
163.14716	1.2
164.11464	0.8
165.09117	4.8
165.12717	0.8
167.14273	0.7
173.13235	0.8
175.14787	8.5
177.05504	1.3
191.10699	1.3
193.15862	100.0
194.16078	1.2
203.14435	0.7
203.17923	13.9
211.16887	2.8
212.54823	0.7
221.18991	14.0
227.12656	0.9
231.05077	1.1
249.06116	0.8
259.08105	1.4
295.10187	1.9
309.07471	0.8
309.13181	2.3
458.33417	2.1
476.34341	2.1
523.15112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68778	0.2
53.03931	0.7
54.51107	0.2
55.01854	0.3
57.03411	0.4
61.02917	0.5
69.03435	1.5
69.03761	0.2
69.80965	1.8
70.06573	0.3
72.66049	0.2
73.02884	0.5
77.03911	0.5
81.03402	0.9
83.04969	0.2
85.02898	3.8
89.45853	0.3
91.05479	0.7
93.06970	0.3
95.04927	0.7
97.02865	1.6
99.04413	0.4
102.04680	0.3
103.05449	30.2
104.05751	0.7
105.07056	0.6
109.02867	0.6
111.04406	0.6
117.03371	0.7
119.04912	0.6
121.06509	0.4
123.04410	0.3
127.03888	0.9
129.05481	0.4
129.57201	0.3
131.04906	100.0
132.05226	1.6
133.02824	0.4
133.06462	0.5
135.07954	0.3
137.05939	1.0
145.02831	1.6
145.04930	1.1
146.03137	0.4
147.04384	2.7
163.03888	2.3
163.07513	60.7
164.07864	1.0
165.09068	0.5
167.07042	1.4
177.05437	3.7
178.05708	1.5
179.03391	0.6
180.08640	0.6
180.10132	0.2
183.08638	0.5
213.57755	0.3
216.18234	0.3
307.11398	0.3
330.13315	0.3
522.20813	0.7
545.82941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03928	3.5
55.01840	1.7
55.05507	7.1
56.60495	1.4
57.03424	4.8
67.05484	12.3
69.03419	17.7
69.07053	6.9
71.04986	11.1
71.62562	1.5
73.02895	6.5
74.50596	1.4
75.63557	1.3
79.05470	17.7
81.03404	29.6
81.07047	16.8
83.04973	4.7
85.02900	11.3
85.06503	7.8
89.03906	5.0
91.05466	13.3
92.05802	1.5
93.07024	32.5
93.79568	1.3
94.07343	1.9
95.04929	7.4
95.08581	14.9
96.08920	1.6
97.02881	10.0
97.06532	7.6
97.10172	3.4
99.04435	73.7
99.08074	44.7
103.05421	2.1
105.07008	42.5
107.04944	2.1
107.08572	82.6
108.08879	2.3
109.02849	15.0
109.06493	6.3
109.10139	13.8
109.79010	1.3
110.10417	1.9
111.04435	4.9
111.08070	5.5
117.03361	14.2
117.05478	23.0
117.06974	3.3
119.04982	1.7
119.08562	16.4
121.02875	2.7
121.06480	15.1
121.10119	30.7
123.08057	7.0
123.11680	5.8
124.12015	1.4
127.03898	16.8
127.07530	2.8
131.04887	2.3
131.08563	6.8
133.10112	21.5
135.04382	3.1
135.08028	6.3
135.11652	19.9
137.05977	2.8
137.09618	8.6
139.07515	2.0
139.11186	1.6
143.08627	1.7
145.02815	46.9
145.04906	2.4
145.10100	30.7
147.04327	6.9
147.08060	2.1
147.11671	6.4
148.11951	2.1
149.05969	7.2
149.09569	10.6
149.13205	2.7
151.11143	3.1
153.12671	1.5
155.08531	2.0
157.10106	2.2
160.11990	1.5
161.05991	2.0
161.09561	7.4
163.11147	59.8
163.14771	2.3
165.09105	4.9
169.10191	2.5
173.09642	7.4
175.11133	1.9
175.14832	5.9
177.05437	100.0
177.16362	4.5
178.05719	2.6
179.03381	3.6
179.10713	7.5
181.12163	11.0
186.05464	1.6
187.11082	1.7
189.09097	3.8
191.10637	44.6
193.15842	55.8
195.06471	1.9
197.09499	1.4
207.06540	1.7
207.09995	2.1
209.11653	22.1
211.16920	6.0
227.12726	31.1
227.14850	2.1
243.13963	1.6
253.12303	2.1
271.13309	2.9
289.14371	3.0
295.10193	2.6
299.12701	5.3
306.24963	1.9
309.13239	2.9
317.13626	8.3
325.20224	1.9
335.14685	15.7
353.15894	49.1
369.88516	1.5
371.16940	12.3
429.13187	1.7
458.33331	5.3
476.34525	2.5
487.60693	1.6
522.31067	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	521.3472
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
51.31879	1.0
53.03943	1.3
55.01859	1.9
55.05510	5.7
57.03427	1.9
57.07069	1.8
59.04977	1.5
65.03931	1.6
67.05510	6.2
69.03426	5.6
69.07061	7.6
70.95785	1.3
70.96133	2.0
71.04986	5.8
73.02904	5.8
79.05476	5.5
81.03390	3.5
81.07049	19.8
83.04967	5.4
83.08606	3.3
85.02902	6.4
85.06547	4.9
87.04461	1.3
91.05466	11.1
93.07031	16.8
95.04977	4.8
95.08593	18.2
97.02902	5.1
97.06531	3.1
97.10146	3.0
99.04439	2.7
99.08086	21.3
99.08722	1.3
105.07012	19.3
107.04926	1.6
107.08582	20.0
109.02852	3.2
109.06498	5.6
109.10145	16.5
111.08064	3.1
115.03961	1.4
117.07008	2.3
119.04942	9.9
119.08563	33.6
121.06494	4.2
121.10126	14.6
123.04385	1.1
123.08033	5.8
123.11691	7.9
125.05964	3.4
125.09607	2.7
127.03880	3.1
127.11166	2.0
129.06993	2.2
131.04884	1.6
131.08571	10.9
132.08969	1.0
133.06528	1.7
133.10123	20.5
135.08040	8.2
135.11681	13.9
137.05962	1.3
137.09567	6.6
137.13193	2.1
139.03938	1.1
139.11174	2.1
143.08546	10.1
143.10628	1.6
145.04941	1.5
145.10109	13.0
147.04395	45.2
147.07997	3.0
147.11649	8.5
149.09602	3.7
149.13251	5.7
151.03876	7.9
151.11157	4.3
151.32475	1.0
156.09351	1.2
157.10141	8.7
159.11685	12.7
161.06024	1.3
161.09619	4.1
161.13208	7.0
163.05997	1.1
163.07600	1.1
163.11172	5.2
163.14778	5.2
165.09174	1.5
165.12692	1.9
169.10123	1.7
170.10837	1.2
171.11644	4.9
173.09671	1.2
173.13243	9.9
175.11159	4.6
175.14821	12.5
177.05441	1.9
177.12773	2.3
179.07053	3.2
183.11734	2.9
185.13232	26.8
187.14822	6.2
189.12715	5.2
189.16339	1.6
191.14284	8.2
193.15862	34.4
197.08060	14.8
197.13245	3.1
199.14828	7.9
201.12720	5.7
201.16357	4.7
203.14284	42.1
203.17915	2.1
205.15836	3.2
207.06526	1.6
209.13480	1.6
209.15373	3.2
211.14946	1.6
211.16862	5.3
213.12851	1.2
213.16455	2.3
215.14278	1.7
217.15819	3.6
219.17436	2.4
221.15405	3.1
221.19052	2.1
229.15872	2.1
231.17558	1.0
239.18123	1.4
241.19582	1.4
243.17380	1.8
247.16943	2.6
253.19534	1.1
257.18979	1.9
259.20737	1.5
267.20987	1.1
269.18948	1.9
271.20618	1.2
275.19998	1.5
287.20364	2.1
287.23569	1.7
305.24612	2.8
309.09567	3.5
323.22150	23.1
323.25665	1.6
324.22403	1.1
353.16077	1.1
354.52264	1.2
403.29593	1.4
409.30905	1.0
421.30896	6.4
439.32004	2.8
457.33075	100.0
458.33502	4.1
475.34146	94.5
476.34375	5.2
503.33292	4.2
521.15814	2.1
521.33453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	0.4
53.00279	0.3
53.03934	1.5
54.69141	0.4
55.01867	5.4
55.05502	29.3
55.46193	0.3
57.03430	3.4
57.07067	12.5
59.04981	0.5
65.03925	1.1
67.05495	17.0
69.03410	1.7
69.07058	28.6
69.31195	1.1
69.31625	2.3
71.04987	2.6
71.08620	7.6
74.09683	0.3
79.05482	15.4
81.03405	18.4
81.07046	19.1
82.07388	0.4
83.04970	5.9
83.08607	28.5
85.02892	10.1
85.03413	0.3
85.06528	1.0
85.10164	3.6
86.23812	0.3
87.04478	0.4
91.05466	19.6
93.07029	11.3
95.04953	10.2
95.08595	10.5
97.02870	1.3
97.06499	3.2
97.10156	16.8
97.10663	0.3
98.21509	0.6
99.04436	0.4
99.08079	0.7
99.18489	0.3
103.05458	0.5
105.04485	0.4
105.07013	12.2
107.04941	3.3
107.08578	5.1
109.06506	3.1
109.10136	3.3
111.04453	0.7
111.08058	4.3
111.11699	4.9
113.06012	0.8
115.05442	0.6
116.06161	0.3
117.06980	2.0
119.04958	0.4
119.08556	8.4
121.06484	0.8
121.10117	7.5
123.08057	1.6
123.11682	1.6
125.05973	0.4
125.09635	1.0
125.13250	1.1
128.06192	0.5
129.06970	5.2
131.08542	6.1
133.06433	0.8
133.10104	5.4
135.08051	0.8
135.11667	2.9
137.09572	0.9
137.13225	0.9
139.11116	0.4
139.14828	0.4
142.07770	1.9
145.10115	2.8
145.90054	0.3
147.08006	1.1
147.11659	5.4
149.09598	2.0
149.13155	0.6
150.94910	0.3
151.11174	0.6
157.10103	5.0
163.11171	3.2
165.12743	1.3
173.09589	0.4
174.33694	0.3
175.11157	6.1
181.12183	0.7
193.12216	17.0
208.79417	0.4
209.11662	1.8
211.13257	20.3
219.21123	0.6
221.22575	0.3
227.12767	2.3
237.22090	10.5
239.23737	1.1
249.14816	0.8
267.15894	3.4
285.16983	1.4
311.25711	1.9
503.37210	0.9
521.38300	100.0
522.38635	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77452	0.5
54.49902	0.4
67.89774	0.4
69.86926	0.4
71.32172	0.9
71.32518	0.5
74.02424	0.4
78.84225	0.5
91.05453	0.8
96.62940	0.4
115.05444	0.7
117.05714	0.5
117.06995	0.6
118.06518	12.5
130.06450	1.3
132.08060	4.3
142.06485	1.3
143.07269	1.9
144.04422	0.5
144.08051	10.9
145.02899	0.7
146.05980	51.2
147.04413	0.8
159.09166	4.7
160.07553	0.8
160.16170	0.4
170.05969	3.3
177.05470	1.2
188.07027	100.0
189.07292	0.8
205.09683	53.2
206.09949	0.8
342.03851	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01828	0.4
57.03426	0.4
63.02369	0.5
67.05496	1.9
69.03428	1.8
70.19595	1.6
73.12794	0.4
79.05476	0.5
81.03425	2.2
81.07033	0.7
83.04975	0.4
85.02898	1.5
89.03906	4.0
91.05474	1.3
93.07021	0.6
95.04958	1.0
95.08576	0.4
97.02878	1.4
98.21439	0.6
99.04410	0.5
103.04778	0.8
103.05452	14.2
105.07022	1.4
109.02836	0.8
109.06436	0.4
109.10146	2.8
110.08429	0.4
111.04460	0.4
117.03366	14.1
119.04931	1.0
127.03865	0.6
129.05496	0.4
131.04912	29.0
133.06468	1.2
134.03627	1.1
135.04427	1.3
137.05995	0.9
137.09596	4.7
145.02827	39.6
146.54262	0.3
147.04356	0.9
149.05952	5.3
155.10681	0.4
161.05983	4.2
163.03920	0.7
163.07523	8.6
165.09079	4.3
175.03909	1.8
177.05449	100.0
178.05785	1.1
179.06746	0.3
183.10049	0.8
186.05424	0.8
187.07587	0.5
195.06522	1.4
201.11195	0.5
207.06480	4.0
224.12271	0.3
275.99237	0.4
297.13077	0.4
321.09625	2.4
325.12894	0.5
339.10779	5.1
343.13733	1.1
503.16611	0.6
521.18176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13228	0.4
69.03404	1.1
69.83499	1.1
69.83905	1.2
79.50699	0.4
81.03410	1.4
85.02902	1.0
89.03915	3.6
91.05450	0.6
98.21484	0.5
103.05462	2.0
109.02847	0.7
117.03363	14.1
131.04927	3.2
134.03651	1.1
135.04370	0.9
137.09633	0.8
145.02827	41.9
149.05959	5.1
161.05919	0.5
163.07491	1.4
177.05446	100.0
178.05751	0.7
178.64507	0.4
186.05432	0.5
195.06555	1.1
204.88089	0.4
214.33568	0.5
217.23712	0.4
308.51550	0.4
310.05673	0.4
321.09537	2.8
339.10767	5.5
413.50342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63545	1.2
50.87695	1.4
69.03419	2.1
69.35947	13.3
85.02869	4.8
88.00620	1.1
97.02853	1.9
101.00856	11.9
119.01900	32.3
121.01637	2.8
127.03860	1.6
131.01897	3.4
133.03413	2.1
136.20192	1.3
137.02951	3.8
139.02400	6.2
143.01866	9.7
145.03450	14.6
145.04587	2.0
147.03198	1.9
152.14085	1.6
157.03441	40.5
159.03169	1.9
161.02957	8.3
163.04509	3.9
169.03427	3.0
173.02859	1.8
173.65878	1.4
175.04520	18.0
181.05556	3.1
184.05756	1.4
187.04424	2.8
205.05548	16.9
213.02481	1.5
223.06592	100.0
224.06677	2.8
225.06349	5.3
237.02472	2.4
241.07645	34.3
246.08104	2.4
249.08154	4.9
255.03493	7.2
265.07623	8.3
267.07520	5.3
277.07648	30.5
279.05469	2.5
279.09167	4.9
281.04959	1.6
321.06604	21.6
339.07715	84.1
341.07040	2.1
344.88644	1.4
359.08322	4.7
367.10715	4.1
387.13397	98.7
388.13635	1.7
397.93942	1.5
401.11404	2.1
404.26810	1.4
408.30612	1.3
521.14087	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04638	0.3
53.03933	0.8
54.89176	0.3
55.01864	0.7
55.05490	1.0
57.03408	0.9
57.22817	0.3
59.04734	0.4
59.04994	5.1
67.01857	5.8
67.05482	1.4
68.99763	2.9
69.00108	0.3
69.03413	4.4
69.07057	2.4
70.17754	1.5
71.04986	0.6
73.02898	0.5
79.05460	1.1
81.02966	0.4
81.03397	3.4
81.07045	3.8
81.60408	0.3
83.04971	0.5
83.08614	0.3
84.17162	0.3
85.02887	6.9
85.06509	0.5
87.04454	4.8
89.09802	0.3
91.05468	1.6
93.07012	2.7
95.04951	1.1
95.08594	2.9
97.02876	9.0
97.06519	0.6
97.10134	0.9
98.21395	0.5
99.04422	1.0
103.05482	0.4
105.05504	2.2
105.06989	1.8
107.04931	2.5
107.08563	2.3
109.02863	3.2
109.06488	0.3
109.10114	1.7
111.00778	0.6
111.04420	0.9
111.08054	0.6
119.04936	3.8
119.08565	1.2
121.02840	1.0
121.06485	3.0
121.10123	1.6
123.04398	1.2
123.11678	1.9
125.02316	1.1
127.03899	7.3
129.01793	1.2
133.10109	1.2
135.11644	0.7
137.05910	0.3
137.09532	0.4
137.13219	0.7
139.11206	0.6
139.63705	0.3
141.12704	0.4
145.02843	0.6
145.04929	5.1
145.10083	0.6
146.10489	0.4
147.04382	13.5
147.11691	0.6
149.09492	0.3
149.13229	1.2
151.03854	0.5
153.01797	85.5
154.02148	1.2
157.12184	0.5
159.08060	0.4
159.11652	0.8
161.13249	0.5
163.03951	0.5
163.14850	0.4
163.72437	0.4
165.01851	0.8
171.02855	50.9
172.03152	0.7
173.13139	0.5
175.14799	0.4
177.01811	2.2
177.05453	1.2
179.03392	2.4
183.02902	0.4
191.03391	1.3
195.02844	10.3
199.59068	0.3
207.02806	0.4
215.03398	0.5
217.01294	0.3
219.02847	2.3
231.06529	0.6
231.08580	3.5
243.02733	0.5
261.03922	2.8
269.12704	0.3
270.63138	0.3
273.07516	100.0
274.07919	2.4
281.12213	0.3
285.07584	0.5
287.23419	0.4
293.24667	0.4
297.07593	2.4
305.24658	1.8
315.08539	4.1
323.25735	1.4
339.08545	2.6
363.08505	0.9
381.09586	3.6
399.10577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3389
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
54.61316	0.2
55.05496	1.1
56.05025	1.2
57.03411	0.6
58.06566	1.4
59.07361	0.4
60.08150	16.3
65.03923	0.2
67.05492	3.2
69.07056	1.6
70.12914	0.8
71.07361	5.3
74.04047	0.2
79.05499	1.0
79.05868	0.3
81.07033	3.0
83.08603	0.5
86.09686	51.9
91.05457	0.6
91.62959	0.2
93.07023	1.1
95.08588	2.1
97.10111	0.2
98.98448	3.6
104.10719	95.6
105.07009	0.3
107.08556	0.4
109.10135	1.0
119.08559	0.3
121.10106	0.4
123.11674	0.4
124.99973	28.9
131.08554	0.2
133.10120	0.4
133.39496	0.2
135.11708	0.3
143.01001	0.5
147.11729	0.2
159.45842	0.2
163.01537	0.6
166.02716	0.2
181.02530	0.3
184.07297	100.0
185.07518	0.3
199.03642	0.2
210.30725	0.2
249.22104	0.2
258.11044	1.1
273.68045	0.2
337.27191	0.7
443.25439	0.4
502.32797	8.7
508.42728	0.2
520.33868	41.1
521.34045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62811	0.1
55.05492	0.2
56.05019	0.4
57.03413	0.1
58.06620	0.4
59.07367	0.1
60.08153	5.8
66.90538	0.1
67.05495	0.6
69.07051	0.2
71.07361	2.7
71.32933	0.2
79.05473	0.2
79.13116	0.1
81.07059	0.5
83.08583	0.1
86.09692	28.6
87.10020	0.2
91.05476	0.2
93.07018	0.2
95.08603	0.5
98.98445	2.4
104.10732	3.0
107.08583	0.2
109.10146	0.2
119.08562	0.1
121.10009	0.1
124.99985	19.2
143.01036	0.2
146.21460	0.1
147.11644	0.1
173.13150	0.1
184.07309	100.0
185.07713	0.4
192.55022	0.1
192.87630	0.1
258.10983	0.2
325.50500	0.1
337.27350	0.2
357.56149	0.1
382.43652	0.1
502.32977	1.4
520.33917	3.8
521.34357	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	10.2
57.03410	1.6
57.07063	1.8
65.03934	1.4
66.91620	1.7
67.05503	15.5
69.07054	8.4
71.04973	5.2
76.30451	1.9
79.05486	12.9
81.07045	32.6
83.04964	2.0
83.08604	6.3
91.05460	13.3
93.07026	27.2
95.04955	4.1
95.08591	40.9
97.06551	3.6
97.10184	3.2
99.08085	25.4
105.07017	45.5
107.08579	41.6
109.06476	2.6
109.10152	23.6
111.08115	2.1
117.06998	10.8
119.08566	50.8
121.06490	3.5
121.10123	27.0
123.08036	3.3
123.11680	9.1
125.09622	2.6
127.81455	1.8
128.06210	2.6
129.06932	11.2
131.08546	35.2
132.09338	2.0
133.10109	76.2
135.11676	24.8
137.13229	2.6
141.07001	2.5
142.07739	5.3
143.08543	25.1
144.09319	3.8
145.10103	56.6
146.10774	2.2
147.08098	2.0
147.11670	35.0
149.09590	5.3
149.13226	7.7
152.30548	1.8
155.08560	5.1
156.09280	1.8
157.08917	3.1
157.10121	40.4
158.10895	5.4
159.08057	2.1
159.11671	50.0
161.09576	5.3
161.13234	33.1
163.07626	1.8
163.11163	4.7
163.14806	27.2
169.10120	7.6
171.11676	24.1
173.09581	2.5
173.11743	3.9
173.13239	74.2
175.11172	6.0
175.14803	60.4
177.09142	2.0
177.12686	3.4
177.16371	12.7
178.24974	1.9
182.10789	2.1
183.11670	7.4
184.07285	2.6
185.09708	2.1
185.13243	19.5
187.11177	3.1
187.14789	39.6
189.12717	4.1
189.16350	13.5
191.10657	4.3
191.14299	2.4
191.17963	5.8
193.12193	2.1
193.15871	2.2
195.11650	3.3
197.13138	8.6
199.14803	20.1
201.12727	4.3
201.16313	27.4
203.10666	2.5
203.14308	4.9
203.17940	5.2
205.12224	2.6
205.15883	7.3
207.11610	1.8
209.11626	3.1
211.14769	5.3
213.12694	3.9
213.16365	5.4
215.14333	5.0
215.17943	4.7
217.12250	7.0
217.15784	4.4
217.19411	2.3
219.13766	2.7
219.17415	5.1
225.12775	1.9
225.16260	3.3
227.14250	2.9
227.17914	2.8
231.13747	16.2
233.15303	5.9
235.13176	2.4
245.15320	6.5
245.22421	1.7
247.16881	4.0
249.14815	3.1
253.19456	2.0
263.16431	5.2
292.19504	1.9
300.05991	2.1
318.34299	2.0
361.28888	17.7
367.26160	2.6
379.29907	59.6
381.31537	5.8
389.28296	9.3
397.30972	32.4
407.29395	78.3
408.29584	2.1
425.30463	100.0
426.30649	2.5
443.31534	15.6
448.40076	2.0
520.36523	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	521.1284
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03936	2.9
54.03192	0.2
55.01849	1.0
55.05489	0.8
57.03428	1.4
61.02901	1.0
67.05486	0.9
69.03418	11.1
69.07062	1.1
69.41528	2.3
71.04981	1.6
71.19924	0.2
73.02915	1.2
79.05458	0.9
81.03405	12.9
81.07049	3.2
83.04965	0.6
83.08607	0.4
85.02416	0.4
85.02891	5.6
85.06519	0.9
87.04436	0.3
91.05460	1.1
92.02596	0.6
93.03384	0.7
93.07033	1.8
95.04940	0.7
95.08603	2.1
97.02872	5.1
97.06535	0.5
97.10152	0.6
99.04436	4.3
99.08052	0.5
103.03945	0.2
103.05447	0.4
105.07014	2.3
106.07352	0.7
107.04964	0.4
107.08574	1.9
108.08865	0.3
109.02863	8.9
109.06502	0.3
109.10127	1.7
111.04397	0.5
111.08074	0.4
115.03899	0.4
116.11655	0.3
119.04932	0.4
119.08549	2.0
121.02863	1.2
121.06496	0.8
121.10107	1.6
123.08049	0.6
123.11683	1.2
125.09627	0.4
127.03899	8.6
128.06181	0.2
129.06929	0.2
131.04930	0.6
131.08539	0.9
133.04974	0.3
133.10135	1.9
133.35025	0.2
134.10442	0.4
135.08005	0.6
135.11662	0.9
137.05951	0.6
137.09579	0.5
139.03888	1.5
139.11131	0.3
143.08530	0.5
143.10658	0.3
145.02872	0.4
145.04974	1.3
145.10085	0.8
147.04373	1.6
147.11658	0.8
149.09502	0.3
149.13225	1.0
151.03868	0.9
151.07463	0.5
151.11197	0.5
153.01807	4.7
157.10167	0.4
157.12193	0.3
159.11713	0.6
161.09555	1.4
161.13243	0.6
162.09949	0.8
163.03860	0.6
163.07497	0.3
163.11150	0.6
164.11469	0.3
165.01768	0.7
171.11671	0.3
173.05959	0.3
173.13228	0.7
175.14845	0.4
177.05492	1.2
179.07005	0.2
179.10750	0.5
179.14240	0.3
180.10962	0.4
185.13248	0.6
187.05986	7.6
187.07651	0.4
187.14790	0.5
189.09081	0.5
189.12625	0.3
191.07056	0.3
191.14307	0.7
192.14635	0.4
201.05475	0.6
201.16328	0.4
203.14317	0.3
207.10112	0.4
209.15430	0.4
217.04903	0.5
225.11145	0.3
225.18523	0.3
226.11385	0.3
228.04126	1.0
229.04922	2.4
231.02783	0.5
237.18396	0.4
245.04411	0.6
246.05208	1.1
257.04416	1.7
273.03857	1.5
274.04669	3.3
284.03058	0.3
285.03915	3.2
287.23526	0.3
301.03339	0.3
302.04190	10.3
305.24670	0.9
317.06509	100.0
318.06973	1.3
323.25769	0.7
334.13519	0.3
352.14716	0.3
359.07922	0.3
475.34143	1.0
521.20599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.05501	7.3
57.03422	1.8
67.05489	14.1
69.07053	4.4
69.47691	15.8
79.05480	13.1
81.07041	29.3
83.04926	1.8
83.08614	4.2
85.02971	1.7
91.05446	18.5
93.07031	33.2
95.04967	5.4
95.08594	40.6
95.09155	3.2
97.06514	3.1
99.04440	2.5
104.06243	2.0
105.07011	50.9
107.04922	2.0
107.08582	35.2
107.09280	2.8
109.06493	3.7
109.10153	18.5
111.08055	2.5
115.65038	1.4
117.07009	11.2
119.08573	37.5
121.06487	6.0
121.10123	23.9
123.08041	3.5
123.11733	4.5
128.06207	3.4
129.06975	13.2
130.07780	2.9
131.08545	39.2
133.10104	35.9
133.11070	2.7
135.08051	3.2
135.11664	13.9
141.07033	2.0
142.07785	8.7
143.08549	27.5
144.09354	1.9
145.10097	44.5
147.08038	6.2
147.11667	40.4
147.12770	2.8
149.09608	4.6
149.13239	7.1
155.08498	14.7
156.09326	3.4
157.10098	49.8
158.10704	2.3
159.08067	2.9
159.11665	40.4
161.09602	9.8
161.13225	22.8
163.11156	4.9
163.14828	2.8
165.09100	2.1
167.08565	2.6
169.10121	21.4
170.10907	1.8
171.11667	29.9
172.12349	2.0
173.09627	6.5
173.13194	21.2
175.11108	10.1
175.14836	7.1
177.12758	3.5
181.10123	3.8
181.35718	1.6
183.11641	14.2
185.09608	6.0
185.13214	28.7
187.11179	7.0
187.14783	12.9
189.12694	5.1
189.16423	5.0
191.10699	3.1
191.14287	2.1
193.10262	1.7
193.12190	3.5
194.68013	1.7
194.69873	1.7
195.11678	5.7
197.13242	8.1
199.11185	3.5
199.14767	13.5
201.12781	7.9
201.16364	2.8
203.10661	5.6
203.14304	7.1
205.12303	4.0
209.13264	5.4
211.14914	7.7
213.12762	5.0
213.16293	4.0
215.10704	3.5
215.14349	3.1
217.12280	5.0
217.15865	2.5
219.13875	3.9
221.13341	2.6
223.14818	6.8
225.12773	2.9
225.16394	9.3
227.17957	2.4
229.12254	1.9
231.13773	12.1
243.13817	4.8
245.15353	4.9
249.16644	2.3
251.14461	2.5
251.17995	7.7
253.19545	1.8
265.19412	2.3
269.15427	3.8
271.16843	1.7
279.21051	16.4
280.21854	2.3
281.22690	5.8
297.22113	22.2
299.20041	1.8
299.23715	3.7
307.20578	10.4
325.21564	53.6
326.22290	3.5
333.25739	3.9
343.22629	100.0
344.23230	6.6
351.23114	3.0
351.26874	4.6
361.25156	15.3
363.27243	2.0
371.23645	2.2
379.26263	66.9
380.26688	3.4
381.28009	5.6
389.24670	18.6
397.27322	29.0
407.25751	34.4
425.04974	2.0
425.26855	34.0
443.27844	6.0
485.32428	2.0
520.32764	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	520.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
54.73359	2.0
55.01853	2.2
55.05498	9.5
55.50333	2.0
57.71296	2.1
61.97065	2.2
65.03893	2.2
67.05488	17.8
69.03412	3.4
69.07056	10.6
71.05003	3.7
71.62868	2.7
79.05481	18.8
81.07044	33.8
83.04977	2.5
83.08607	4.2
85.06525	3.5
91.05446	19.9
93.07028	35.9
95.04956	7.8
95.08593	61.9
97.06499	8.0
97.10163	2.3
99.04444	3.8
105.07013	59.9
107.04939	2.9
107.08582	40.2
109.06493	9.5
109.10135	26.8
109.27836	2.2
111.08026	4.1
113.06014	2.5
117.06986	13.6
119.07775	3.6
119.08566	49.0
121.06496	12.0
121.10130	36.8
123.08025	5.6
123.11667	7.1
123.35027	2.0
125.09571	3.1
128.06206	2.7
129.06984	13.3
130.07741	2.4
131.08542	48.8
133.06474	3.7
133.10098	46.8
135.07990	8.0
135.11659	25.7
137.13245	2.3
141.06981	5.0
142.07736	7.9
143.08545	34.3
144.09355	2.9
145.06396	2.8
145.09026	4.6
145.10101	60.2
147.07997	13.5
147.11656	43.1
149.09605	7.5
149.13208	12.4
151.07521	2.9
151.11105	3.9
155.08528	12.5
156.09306	6.6
157.10097	50.3
158.10890	2.6
159.08052	5.1
159.11673	49.1
160.08832	2.2
161.09589	37.3
161.13240	20.4
163.07498	7.4
163.11179	10.2
163.14775	6.9
165.09085	3.1
167.08575	3.6
168.09401	2.4
169.10088	14.0
170.10847	4.8
171.11664	36.9
173.09596	22.5
173.13214	26.6
175.11174	20.4
175.14796	12.8
177.12711	8.5
177.16386	5.8
178.16806	3.1
181.10143	4.1
182.10841	3.6
183.11650	12.0
185.09657	3.0
185.13216	30.2
187.11118	10.5
187.14810	19.9
189.12651	11.3
189.16273	10.8
191.10593	5.1
191.14262	3.4
191.17886	22.1
193.12247	8.3
195.11665	8.6
195.13602	2.6
197.13278	14.3
199.11101	8.6
199.14793	27.7
201.12711	11.1
201.16377	8.6
203.10629	4.7
203.14287	9.1
203.18002	10.5
205.12184	6.0
207.13672	4.9
209.13268	7.2
211.11128	2.6
211.14798	5.7
213.12711	6.8
213.16489	3.4
215.14275	9.5
217.12251	6.1
217.15839	9.8
217.19536	2.9
219.13774	6.1
221.15321	3.3
223.14868	4.4
225.16293	5.8
227.14204	6.7
229.16087	2.7
231.13792	10.1
233.15306	5.1
235.13072	3.2
235.16866	4.7
237.16429	3.1
239.14307	2.6
239.17822	2.5
243.13852	5.6
245.15431	5.9
249.14743	4.1
251.17958	2.3
263.16458	2.8
265.19406	2.7
275.20084	2.9
279.20993	8.2
280.21652	3.0
281.22491	2.8
297.18329	2.1
297.22037	3.6
323.20187	2.7
325.21561	6.8
333.22064	3.8
343.23676	4.8
344.23416	3.4
349.23743	4.3
351.23117	6.5
351.26978	3.6
361.25168	34.0
363.26688	7.5
371.23752	4.1
379.26276	100.0
380.26691	3.8
381.27774	5.4
389.24695	26.7
397.27124	29.6
397.31155	3.7
407.25745	50.6
421.30823	4.1
425.26682	63.5
439.32123	8.5
443.27362	10.7
457.33136	14.4
467.31473	8.0
474.33029	4.3
485.32651	36.2
520.32324	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	520.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94432	1.7
53.03932	3.3
55.05496	6.3
57.03421	2.6
57.07060	3.5
59.04989	2.5
67.05489	8.1
69.03403	7.4
69.07057	9.4
70.77829	5.3
71.04986	29.7
73.02937	2.2
73.06538	3.5
79.05485	9.4
81.03420	3.8
81.07049	24.7
83.04977	2.3
83.08598	4.6
85.02909	13.8
85.06520	3.8
87.00817	4.0
91.05469	15.4
93.07035	26.1
95.08033	3.1
95.08594	37.4
97.02862	8.7
97.06527	4.8
99.04438	2.7
99.08086	4.4
104.34909	2.0
105.01842	5.3
105.07016	40.8
107.08587	32.1
109.02835	2.1
109.06506	3.7
109.10131	16.9
111.08078	3.2
115.03891	3.1
117.06993	2.4
119.08572	17.3
121.10151	18.2
123.08061	2.3
123.11699	6.8
125.09618	27.5
127.03893	7.1
127.11180	4.2
131.08517	7.5
132.55824	2.2
133.10117	74.4
135.08015	2.7
135.11687	2.7
139.11162	2.2
143.10652	44.1
145.02861	5.7
145.04977	4.8
145.10056	10.9
147.11661	31.0
149.09555	2.1
149.13243	29.8
159.11659	10.1
161.09624	3.7
161.13219	6.9
163.11197	1.9
167.14302	100.0
173.13240	8.2
175.14809	8.4
177.05460	13.9
191.14304	15.0
201.16342	11.5
203.17896	2.0
209.15259	2.6
219.17419	55.8
237.18427	8.5
276.78314	2.6
351.14578	2.4
520.29669	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	520.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.7
55.05508	19.3
57.07071	5.0
67.05190	3.4
67.05502	25.0
69.03400	3.0
69.07059	19.3
69.69554	9.7
69.69981	7.8
71.04977	5.8
77.34376	2.6
79.05470	11.5
79.44806	3.0
81.03390	3.3
81.07056	39.6
81.24974	2.5
83.04967	8.9
83.08595	10.2
84.69791	2.4
85.06528	9.6
86.09681	5.0
91.05396	12.6
93.07034	33.3
95.04968	5.6
95.08597	50.0
97.06508	9.9
97.10151	2.3
98.20744	5.5
99.04462	19.7
101.06016	16.4
103.05371	2.7
105.07020	44.9
107.08582	40.5
109.06499	8.5
109.10149	52.2
111.08054	4.8
115.07563	6.2
117.06985	11.8
119.08575	33.1
119.65788	2.6
121.06486	6.6
121.10114	27.7
123.08045	5.1
123.11683	7.2
127.07595	3.6
128.06203	5.5
129.06985	14.0
131.08560	32.5
133.06476	3.9
133.10106	32.9
135.08031	6.8
135.11676	15.5
137.09563	6.5
141.06960	9.9
142.07794	9.7
143.08566	38.3
144.09328	3.1
145.06485	3.1
145.10127	37.3
147.08040	4.7
147.11661	22.8
149.09586	7.2
149.13268	16.6
151.11145	5.5
153.09084	4.3
154.07756	5.3
155.08533	38.4
156.09283	3.7
157.10110	49.5
158.10756	3.0
159.07982	3.9
159.11673	37.5
161.09589	7.7
161.13234	15.1
162.51627	2.5
163.11182	8.0
163.14767	3.4
165.06915	4.3
165.12711	4.0
166.07726	2.5
167.05554	5.2
167.08548	6.5
168.09354	3.7
169.10112	36.7
170.10783	5.0
171.11670	28.0
173.09605	13.6
173.13245	17.9
175.11197	7.7
175.14825	10.4
177.12741	9.0
179.10797	2.9
180.09277	3.1
181.10085	15.0
181.12183	4.3
182.10925	3.5
183.08043	3.0
183.11703	32.5
184.07301	10.1
185.07663	3.3
185.09569	2.8
185.13223	28.1
187.11148	11.1
187.14775	10.9
189.12744	6.8
191.10745	3.8
191.14273	9.3
193.10175	7.8
193.12280	7.6
193.15813	3.9
194.10818	3.8
195.11674	23.8
195.13776	18.1
197.09592	4.6
197.13251	23.8
199.11163	7.4
199.14719	11.9
201.12769	14.0
201.16418	4.2
203.10672	2.9
203.14328	8.1
207.11800	5.0
207.13785	5.6
209.13245	19.0
209.15337	17.7
211.11230	4.5
211.14836	15.2
213.12737	6.8
213.16345	5.2
215.10619	3.4
215.14227	4.9
217.12250	6.7
217.15732	3.6
219.13696	3.5
221.13176	6.2
221.15205	5.7
223.14760	14.4
225.12776	6.2
225.16412	10.5
227.14333	6.7
229.12221	7.0
229.15904	5.5
231.13785	7.5
233.15382	3.4
235.14894	3.5
235.16931	7.0
237.16365	15.8
237.18343	2.8
241.15872	3.7
243.13637	3.2
251.17873	7.8
255.13765	5.8
255.17406	6.7
257.15271	9.5
263.98026	2.5
265.19485	3.9
267.17346	3.0
269.15353	7.9
269.18845	2.6
273.03918	7.7
273.14713	4.8
275.16351	5.2
279.17432	3.5
279.20990	3.8
283.16974	12.2
287.16415	3.5
297.18478	7.0
301.17975	8.7
309.18344	3.9
315.19498	4.0
323.20114	3.0
324.20743	3.8
325.21527	9.7
343.23935	4.0
351.23291	5.0
361.25171	29.0
371.23511	4.0
379.21378	4.1
379.26303	97.5
381.28055	12.3
389.24811	17.3
397.27380	100.0
398.27844	3.1
407.25687	41.5
425.26807	92.9
443.27838	97.7
444.28134	4.3
456.31412	3.4
520.32733	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01851	4.2
55.05503	7.6
57.01920	1.1
57.03431	7.7
57.07065	2.1
57.35209	1.1
59.04998	1.2
61.02911	2.7
67.05488	4.6
69.03414	17.1
69.07050	9.1
69.74587	4.5
69.75016	3.3
71.04983	12.5
73.02904	17.0
79.05482	8.7
81.03401	5.5
81.07043	16.3
83.04980	2.6
83.08614	2.2
85.02896	32.3
85.06522	4.2
87.00833	1.9
87.04452	2.2
91.05450	11.2
93.07033	14.8
95.04973	3.2
95.08605	17.0
97.02883	22.3
97.06522	6.9
97.10148	2.8
98.21505	1.6
99.04430	2.2
99.08086	2.8
103.03893	1.3
105.01876	1.9
105.07017	43.3
107.04922	1.4
107.08583	19.7
107.79601	1.1
109.02847	4.6
109.06498	3.0
109.10151	8.7
111.04424	1.2
111.08075	2.1
111.15744	1.2
115.03909	8.7
117.03333	2.2
117.06988	2.9
119.04900	3.9
119.08562	27.7
121.06488	3.0
121.10141	15.3
123.08047	2.9
123.11687	6.2
125.09608	11.8
127.03881	13.3
127.11159	1.4
131.08548	21.2
133.04944	9.4
133.10112	57.0
135.08028	4.1
135.11673	2.9
137.05977	1.3
137.09621	1.9
139.11166	2.3
143.08611	2.2
143.10643	14.7
144.09421	1.8
145.02791	5.1
145.04945	8.9
145.10112	16.7
147.04396	22.8
147.11668	90.3
147.23940	1.1
149.09584	2.6
149.13251	10.7
151.11148	2.0
157.10062	1.5
158.10873	1.6
159.11693	6.1
161.09528	3.2
161.13239	3.6
163.06064	3.0
163.11140	4.5
163.14810	1.5
165.09033	1.8
167.14302	25.3
171.11700	1.8
173.13249	43.4
175.14806	39.3
177.05470	13.8
179.10568	2.4
185.13152	1.4
191.14281	100.0
201.16365	4.2
203.14273	1.3
203.17999	2.2
209.15300	7.3
215.03317	1.5
219.17410	21.2
223.06097	1.8
237.18457	3.3
237.73076	1.3
241.07047	1.5
256.00421	2.8
259.08044	2.4
295.10007	1.6
322.24423	1.4
324.23578	1.4
358.07285	1.9
363.08319	1.7
485.23953	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3311
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
50.98035	3.9
53.03927	6.7
54.04396	4.5
55.01859	8.1
55.05494	18.6
57.07078	4.5
65.03949	5.3
67.05493	40.2
69.03412	14.4
69.07060	27.2
71.01356	4.5
71.03844	3.8
71.04972	3.8
71.62573	3.8
73.04749	6.0
77.77097	4.9
79.05480	35.6
81.03366	11.0
81.07043	74.1
83.04963	16.8
83.08597	16.6
85.02904	7.7
85.06536	9.1
86.09709	7.0
91.05377	33.3
93.07026	61.1
95.04937	21.2
95.08595	94.2
97.02884	14.9
97.06513	15.2
97.10153	11.7
98.98481	8.4
104.10718	10.3
105.03357	5.0
105.06363	6.8
105.07014	72.1
107.04922	13.9
107.08585	84.7
109.06498	12.3
109.10143	48.9
110.07388	5.0
111.04419	17.7
111.08074	9.3
113.06038	7.1
115.03896	5.3
115.05497	4.5
117.07001	16.3
119.07780	8.0
119.08569	100.0
121.06492	17.4
121.10120	52.6
123.04402	16.7
123.08033	14.2
123.11672	11.2
125.05962	5.7
125.09633	8.2
127.07510	7.9
128.06232	6.6
129.07022	9.9
130.07770	7.9
131.08557	48.5
133.06499	6.7
133.10097	60.4
135.08060	14.0
135.11661	23.7
137.05983	5.3
137.09590	6.5
140.01704	4.4
142.07764	7.8
143.08559	23.9
145.06445	5.5
145.10095	54.7
147.04364	10.1
147.08037	15.1
147.11671	42.9
147.57126	4.4
149.09621	12.0
149.13243	26.7
151.07535	9.1
151.11140	6.6
153.09149	8.8
155.08511	16.0
156.09326	14.4
157.10107	34.2
159.08064	12.1
159.11693	39.0
161.09634	17.8
161.13228	20.0
163.03888	7.6
163.07521	13.3
163.11143	13.0
163.14758	21.2
165.05437	12.3
165.09076	8.2
167.05562	15.0
169.10107	12.9
171.08046	5.6
171.11659	32.8
173.02220	5.1
173.08182	4.6
173.09605	15.3
173.13211	31.0
175.11168	16.0
175.14819	27.5
177.09105	8.3
177.12791	5.5
177.16368	38.9
179.06992	4.7
181.10081	8.8
183.11693	20.2
184.07254	11.1
185.09557	7.4
185.13216	16.6
187.11121	14.6
187.14795	32.7
189.12741	15.8
189.16345	47.2
191.10693	6.3
191.17874	17.0
193.12273	4.8
193.15871	13.0
195.11635	13.3
197.13190	12.4
199.11156	24.4
199.14796	7.3
199.58543	4.3
201.12733	14.7
201.16316	15.3
203.10628	10.3
203.14497	8.7
203.17924	49.8
205.08583	24.9
205.12224	11.2
207.13716	6.4
211.11223	10.1
213.12747	14.0
213.16272	11.4
215.14349	10.1
217.12276	11.3
219.13794	5.7
221.15392	7.4
227.17944	7.4
229.12184	7.1
229.16008	4.4
231.13776	14.4
233.15282	7.4
235.16934	8.0
239.17648	4.2
245.15314	8.1
247.13170	4.7
249.14832	7.0
249.18491	7.0
261.14960	5.8
263.16287	5.1
265.14371	5.2
266.99622	4.3
269.13895	5.2
273.18515	8.9
283.02991	7.0
283.15320	4.7
291.19507	7.5
291.73196	4.4
295.15381	7.4
299.06183	18.2
309.25879	5.6
341.21121	5.5
347.22141	11.3
357.13358	19.4
362.04236	6.4
365.23218	10.3
389.28488	8.6
390.03455	4.9
401.06500	12.7
402.96957	4.2
404.10535	5.2
407.29178	17.1
409.30975	6.1
418.06738	7.8
419.29547	20.2
425.30399	7.7
435.28931	32.0
437.30579	48.6
443.11688	4.8
444.08362	8.3
447.28629	8.2
453.30264	4.5
455.31464	44.7
461.08557	13.3
462.09433	26.4
465.29984	23.1
473.32632	74.7
483.31033	57.9
501.31653	18.3
519.12750	83.5
519.33350	45.4
520.13019	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	519.2952
Annotation	Lucidenic acid P
Peak:m/z	Relative Intensity
53.03931	8.7
55.01867	5.2
55.05506	23.5
57.03435	6.6
57.07058	5.0
65.03938	3.5
67.05493	34.8
69.03422	12.5
69.07054	28.7
71.04972	11.7
71.62514	4.1
71.62905	3.4
73.02877	4.5
79.05479	35.1
81.03399	13.9
81.06630	6.1
81.07046	65.3
83.04967	12.6
83.08601	9.0
85.02881	10.4
85.06520	9.3
91.05399	27.1
93.07029	64.5
95.04934	11.9
95.08590	62.6
97.02880	8.2
97.06527	20.6
97.10158	4.5
99.04436	13.9
101.05986	6.1
105.03391	4.4
105.07019	73.2
107.04925	6.1
107.08583	57.5
109.02853	5.9
109.06509	20.4
109.10138	36.9
111.08053	12.9
117.07019	23.8
117.77637	3.7
119.04912	5.1
119.08555	65.0
121.02892	4.5
121.06480	11.8
121.10123	48.2
123.04388	13.9
123.08056	11.3
123.11681	15.6
125.05956	15.8
125.09615	10.5
127.03885	6.5
128.06215	6.7
129.06989	20.5
130.07831	4.6
131.04887	16.1
131.08560	55.1
133.06479	8.9
133.10107	53.5
135.08034	20.6
135.11676	19.3
137.05936	7.0
137.09663	9.1
137.13269	4.6
139.03906	6.6
139.11139	13.0
141.06937	11.5
142.07770	14.0
143.08528	59.9
144.09297	5.1
145.06451	5.4
145.10098	68.9
147.04359	18.8
147.08031	12.7
147.11668	40.9
148.12019	4.2
149.05896	3.9
149.09578	11.4
149.13229	12.2
151.07469	3.8
151.11163	4.2
154.07724	5.5
155.08521	39.7
156.09325	10.2
157.10101	65.8
158.10777	6.6
159.08054	5.7
159.11665	46.0
161.09590	10.1
161.13232	22.8
163.03897	6.8
163.07527	9.7
163.11211	7.6
163.14792	9.6
165.09097	6.1
165.12694	4.8
167.05585	5.5
167.08496	8.4
167.10645	10.0
168.09370	4.3
169.10089	43.4
171.08086	5.6
171.11674	71.0
173.09590	11.7
173.13223	46.7
175.11139	9.5
175.14783	13.6
177.05469	7.7
177.09079	5.5
177.12730	4.4
179.08530	5.4
181.10072	23.8
181.12039	4.6
183.08104	3.9
183.10204	5.1
183.11679	33.4
185.09567	10.6
185.13301	22.4
187.11150	14.2
187.14772	16.8
189.12723	14.4
189.16411	6.4
191.10590	21.0
191.14294	8.6
193.10069	11.0
193.12222	9.5
194.10909	4.7
195.11729	31.1
195.13478	6.1
196.12451	4.5
197.09621	6.8
197.13170	17.1
199.11180	8.7
199.14871	15.1
201.12747	9.3
201.16435	4.6
203.10683	5.7
203.14275	10.5
205.06865	5.2
205.08469	24.4
205.12126	5.4
205.15865	7.2
207.11635	10.9
207.13774	21.2
208.12347	4.4
209.13228	17.6
209.15170	4.0
211.11220	4.0
211.14766	18.3
213.12727	6.2
213.16393	4.6
215.10687	12.1
215.14148	4.6
217.12167	51.6
219.11781	6.1
219.13763	13.1
221.13216	11.7
223.14783	13.2
225.12741	4.6
225.16383	6.6
227.14183	4.2
229.12202	4.9
229.15923	4.4
231.13664	11.9
235.14832	5.9
237.16383	21.7
238.11160	4.0
239.14224	7.9
239.17938	6.6
242.16106	3.9
243.13770	7.6
247.14842	7.5
249.16385	11.7
253.15710	5.4
255.17413	9.1
257.15372	16.9
265.15817	4.5
267.13571	3.9
267.17490	7.2
271.17114	4.8
275.16327	6.0
277.19647	4.7
279.11298	4.1
279.17285	7.9
283.16867	18.7
285.14886	3.8
295.16910	9.6
299.05911	17.7
301.17920	7.0
303.23022	5.9
307.10956	4.4
307.16959	6.5
307.20267	4.2
309.18524	5.1
321.18564	4.7
323.20090	7.5
331.24072	6.8
349.25168	14.3
353.10806	4.7
353.17484	5.0
357.13300	14.8
357.20224	4.4
359.23590	23.4
366.12079	7.7
377.24689	75.2
378.24881	5.4
379.26022	9.4
387.22980	13.4
395.25803	71.5
405.24280	30.8
413.26923	7.2
423.20010	6.0
423.25253	87.5
424.25323	7.3
437.30505	6.7
441.26324	100.0
453.29599	6.8
455.31482	4.8
465.29544	7.1
473.33066	31.9
483.30643	11.3
501.27805	25.1
519.19684	23.7
519.33301	31.4
520.20520	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	519.1126
Annotation	Herbacetin 8-(2'',3''-diacetylxyloside)
Peak:m/z	Relative Intensity
52.07729	0.4
53.03934	0.9
55.01852	1.7
55.05506	2.6
57.03421	1.5
57.07050	0.4
61.02910	0.9
65.03929	1.0
67.05501	4.0
69.03417	34.0
69.07056	3.9
71.03848	0.5
71.04205	1.3
71.04980	1.9
73.02913	0.5
73.04777	0.6
74.09703	0.5
79.05477	4.1
81.03403	2.7
81.07043	9.9
83.04962	1.9
83.08608	1.3
83.22266	0.4
85.02888	10.9
85.06525	1.9
87.04472	0.5
91.05424	5.6
93.07022	6.9
95.04958	3.4
95.08593	6.2
97.02876	95.0
97.06499	2.5
97.10164	1.7
99.04424	1.1
99.08083	0.7
105.07018	6.5
106.07295	0.6
106.84357	0.5
107.08568	6.0
109.02835	2.9
109.06520	1.7
109.10139	5.1
111.00784	1.2
111.04436	1.1
111.08071	1.5
111.11708	0.7
115.03912	3.0
116.98566	0.5
117.05455	0.4
117.07029	1.0
119.04921	1.2
119.08563	6.6
120.08088	0.5
120.08874	0.6
121.02854	4.9
121.06475	0.9
121.10114	6.3
123.04411	2.0
123.08072	1.2
123.11671	2.7
125.09615	2.3
127.03890	4.9
127.07488	0.8
127.11160	1.1
129.07027	0.6
131.04897	0.7
131.08542	2.4
133.06406	0.5
133.10101	3.6
135.08011	1.8
135.11681	3.5
136.07484	0.7
137.02332	2.7
137.05939	0.9
137.09576	2.1
137.13208	0.9
139.03868	2.2
139.11160	1.4
141.09068	0.6
143.08560	1.1
143.10645	1.2
145.06453	0.6
145.10100	4.3
146.05954	0.7
147.04395	3.6
147.11681	2.9
149.09563	1.5
149.13228	1.1
151.11183	1.4
153.01781	4.6
153.05327	0.5
153.09032	0.8
153.12701	0.7
155.08577	0.6
155.10641	0.6
157.04939	27.4
157.10109	1.7
157.12155	0.6
159.11639	3.6
161.05902	0.6
161.09634	1.1
161.13231	2.1
163.03882	1.7
163.07553	0.7
163.11143	1.6
163.14799	0.9
165.01817	1.9
165.05367	0.5
165.09070	1.1
167.05589	0.6
167.07043	0.6
169.12184	0.5
171.11676	0.9
173.13222	1.9
175.14824	1.6
177.05463	1.0
177.16405	0.5
179.07187	0.5
183.02907	0.5
185.13258	0.7
187.11154	0.5
187.14844	1.1
189.12711	1.7
189.16388	0.8
191.14319	1.1
195.02873	0.5
199.14799	1.1
201.05412	2.2
201.12677	0.8
201.16307	1.0
203.18066	0.5
205.05144	0.5
205.08580	2.1
205.15846	0.5
207.13736	0.8
209.15433	0.5
213.16299	0.5
215.14310	0.5
217.07033	7.5
217.15840	0.6
219.10187	0.7
219.13739	0.6
219.17395	0.6
228.04204	0.5
228.10139	1.7
229.04912	4.7
229.10498	1.3
233.07935	0.6
233.15222	0.5
235.16890	0.9
247.05940	0.7
257.04449	2.4
267.20947	0.5
274.04666	0.6
285.03885	1.3
285.22043	1.5
291.23154	0.5
299.06046	1.2
303.04938	100.0
303.23151	4.6
304.05280	2.1
309.24640	0.6
315.04840	0.6
321.24127	3.9
322.24179	0.7
339.25323	1.5
357.14102	2.0
381.05884	1.2
382.18591	0.6
455.31378	1.5
465.29016	1.1
473.32501	2.2
483.30026	0.8
501.31882	1.0
519.19818	0.8
519.29004	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3231
Annotation	1-18:3-lysoPC
Peak:m/z	Relative Intensity
55.05504	0.8
56.05027	1.2
57.03423	0.3
58.06580	1.4
59.07384	0.3
60.08154	16.5
67.05489	2.3
67.23923	0.2
69.07060	0.7
69.48432	1.4
70.06582	0.3
71.07362	6.9
75.60571	0.2
79.05470	1.8
81.07041	1.9
83.08610	0.2
86.09690	49.7
87.10007	0.3
91.05476	1.1
93.07027	1.8
95.04967	0.3
95.08591	1.6
95.68153	0.2
98.98440	3.9
104.10725	100.0
105.07008	0.6
105.11082	0.5
107.08597	0.9
109.10155	0.6
117.07027	0.2
119.08530	0.3
121.10142	0.4
122.81670	0.2
124.99983	27.5
131.08553	0.2
135.11708	0.3
163.01556	0.5
164.58122	0.2
176.31342	0.2
184.07307	97.6
185.07651	0.3
186.16774	0.2
199.03717	0.2
258.10974	1.0
304.41031	0.2
335.25742	0.7
356.07166	0.2
441.24207	0.3
467.03342	0.2
500.31271	8.8
501.31818	0.4
518.32343	38.8
519.32751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	6.8
55.05501	31.4
57.07066	12.1
67.05495	38.7
69.07066	28.0
71.04971	16.4
78.98066	4.4
79.05481	39.0
81.07045	89.6
83.08596	14.5
84.27670	4.5
85.06511	6.4
90.50641	4.4
91.05458	43.9
93.07030	100.0
95.04936	18.2
95.08589	80.9
97.06537	6.0
97.10158	10.2
105.06369	7.1
105.07021	78.4
107.08591	60.6
109.06488	21.1
109.10152	32.3
111.08078	22.3
111.11716	6.1
113.09683	6.1
117.06992	14.8
119.07783	8.3
119.08569	98.3
121.10107	50.4
123.08059	6.7
123.11656	6.5
129.06975	10.3
131.08545	25.9
133.10114	35.4
135.11668	31.3
137.09610	11.0
138.09586	4.5
139.28938	5.2
142.07747	9.1
143.08559	11.7
144.09276	7.1
145.10104	58.3
147.11647	41.9
149.09581	5.6
149.13216	20.4
155.08517	7.2
157.10103	32.6
159.11670	60.6
161.13225	25.1
163.11163	7.1
163.14796	7.2
171.11618	15.2
173.13211	19.8
175.14656	9.8
185.13191	19.8
187.14801	18.6
189.16406	10.0
192.13817	36.3
197.13193	4.7
199.14795	13.3
201.16347	14.8
211.14819	5.1
213.16365	15.8
215.17929	22.7
225.16302	5.3
227.12717	10.6
227.17833	8.0
229.19426	6.4
255.21068	10.2
257.22659	7.9
267.20996	6.5
283.35641	5.3
407.33060	10.6
500.39087	7.0
518.22272	6.9
518.38794	9.5
519.36658	35.3
530.54980	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	518.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	17.0
57.07065	5.4
59.04995	3.1
67.05492	29.0
69.07062	19.8
71.04963	3.6
71.59312	4.8
72.77383	3.1
79.05491	29.3
81.03391	5.1
81.07047	100.0
83.03897	3.0
83.04972	11.4
83.08606	13.3
85.02893	6.4
85.06495	4.6
87.04428	4.3
91.05479	29.9
93.07031	68.1
95.04930	15.2
95.08597	71.0
96.35899	3.6
97.06511	5.1
97.10134	5.7
105.06370	4.8
105.07016	55.7
107.08581	51.4
109.06487	8.9
109.10138	39.6
111.08074	6.6
117.07004	10.9
119.08575	50.1
121.10138	54.6
123.11682	15.5
123.94997	3.0
129.07016	4.7
130.07768	3.3
131.08560	16.2
133.10124	22.9
135.11650	18.8
137.09596	5.4
142.07796	3.1
143.08519	12.4
145.10101	33.4
147.11670	29.8
149.13225	26.6
157.10103	15.3
159.11681	34.0
161.13231	23.3
163.14771	8.4
169.10091	4.8
171.11656	9.4
173.13242	12.2
175.14828	9.5
177.16344	12.5
185.13239	8.9
187.14767	16.4
189.16338	13.5
191.17891	8.9
199.14827	5.7
201.16313	7.2
203.17941	8.5
205.24893	3.1
211.14789	4.2
213.16354	7.3
215.17889	5.7
217.19527	8.7
229.19585	4.7
231.13867	5.0
231.21046	3.7
257.22598	4.9
370.72247	3.1
423.32611	18.2
435.84186	3.1
441.33435	11.9
518.39130	9.9
519.23596	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	518.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.1
56.05027	0.4
57.03423	0.1
58.06622	0.4
59.07387	0.1
60.08157	6.1
67.05505	0.6
69.07047	0.2
69.37521	0.7
70.06590	0.1
70.38972	0.1
71.06972	0.2
71.07366	2.8
79.05485	0.3
80.97411	0.1
81.07044	0.4
83.37077	0.1
86.09695	29.7
87.10011	0.1
89.27010	0.1
91.05457	0.2
93.07041	0.4
95.08591	0.4
98.21555	0.1
98.98454	2.7
104.10728	2.9
105.07006	0.1
107.08590	0.2
109.10152	0.1
119.08578	0.1
121.10132	0.1
124.99989	20.1
143.01050	0.3
184.07318	100.0
185.07663	0.6
196.21034	0.1
202.07111	0.1
258.11014	0.3
319.22247	0.1
335.25662	0.2
500.31329	1.1
518.32385	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	518.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01851	6.7
55.05487	4.9
57.03427	16.0
57.07047	4.0
59.04985	2.5
60.08154	1.3
61.02917	9.1
67.05481	5.0
69.03066	2.1
69.03413	27.3
69.07052	2.8
71.01334	3.3
71.04968	3.9
71.62458	1.4
73.02905	49.2
77.51415	1.0
79.05481	3.9
81.03408	9.6
81.07026	5.9
81.46386	1.1
83.04962	4.2
83.08579	2.4
85.02891	83.5
85.06513	1.4
86.09700	1.7
87.04436	4.1
91.03924	2.2
91.05463	5.1
93.07042	5.7
95.04957	3.8
95.08570	4.6
97.02872	52.8
97.06486	2.6
99.04421	5.3
103.03934	2.8
105.07011	63.1
106.07342	1.7
107.04858	1.9
107.08569	4.1
109.02863	8.8
109.06470	2.0
109.10130	5.5
111.04420	2.4
111.08006	1.2
115.03912	23.3
117.07001	4.1
119.04912	2.0
119.08560	95.3
120.08855	1.7
121.06493	1.2
121.10113	4.5
123.04398	3.4
123.11705	1.6
125.09586	1.6
127.03893	26.2
129.06944	1.1
131.08522	2.7
133.04935	24.3
133.10109	20.6
135.08058	2.0
135.11647	2.2
137.09511	1.1
139.03851	7.4
143.03322	1.3
143.08551	1.7
144.06467	1.1
145.04939	29.7
145.10100	4.3
147.04376	2.8
147.11649	7.8
149.09521	1.5
150.07617	3.2
151.11107	1.5
153.01790	6.6
157.10182	2.7
158.10388	1.7
159.11673	3.3
161.13312	1.4
163.03923	2.4
163.06017	12.0
165.12775	1.4
167.05626	1.4
169.10051	1.9
171.02847	3.9
171.06567	1.3
171.11755	1.8
175.07622	1.6
175.14774	2.4
175.94524	1.3
184.07297	5.0
189.16345	100.0
190.16786	1.5
193.04883	2.3
201.16376	1.7
205.08607	1.6
223.05994	6.6
229.10585	1.4
241.06927	5.6
256.34650	1.2
259.08112	12.5
273.07611	7.6
277.09106	1.7
285.18268	2.4
295.10132	2.5
299.06140	4.3
303.19547	2.1
303.22852	2.3
321.23926	1.6
354.37769	1.3
357.13165	1.3
429.10370	1.3
454.30191	1.4
462.90854	1.2
472.31168	2.5
477.47073	1.3
482.29367	2.3
500.30557	4.8
518.30981	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	518.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
54.41589	1.0
54.89531	0.9
55.01860	9.6
55.05499	1.4
57.03415	1.2
57.07069	7.7
59.04989	0.9
67.05510	5.7
69.03412	8.3
69.07058	8.1
69.65768	1.0
70.02933	5.9
70.06571	0.9
71.04967	1.7
71.62408	2.0
72.04503	24.0
73.02904	12.8
74.02410	1.7
78.36790	0.9
81.03402	19.1
83.04972	8.1
84.08107	0.9
84.51399	0.9
85.02878	9.8
85.06533	6.6
86.09676	4.7
87.08081	3.6
90.05537	32.7
95.04943	8.3
96.08108	3.3
96.79072	1.1
97.02853	10.5
97.03319	1.0
98.02395	18.0
99.04438	4.4
100.03957	7.0
103.03902	1.4
103.07549	3.9
108.04472	1.5
109.02853	29.0
109.48425	0.9
111.04440	1.3
112.07575	2.3
113.05955	6.8
115.03908	2.3
116.03429	18.1
117.96821	1.0
118.04980	1.2
121.12065	0.9
123.08022	1.3
124.07572	29.1
125.07909	1.0
127.03890	15.0
128.03333	1.1
128.82825	1.0
130.08614	1.5
131.07004	1.4
132.06566	9.8
132.10185	1.5
137.02347	1.5
137.05881	1.1
138.05482	3.1
142.08609	19.9
145.04936	8.8
147.04321	1.8
154.08551	1.3
156.10202	1.6
158.04518	0.9
160.09688	5.4
166.08609	4.8
172.09659	5.2
174.11189	7.7
175.13031	1.1
177.05453	3.0
180.06471	0.9
181.04956	2.1
184.09645	36.7
187.05981	1.1
189.12701	2.3
198.07538	5.7
199.05977	4.4
202.10703	100.0
203.11333	3.0
207.13785	1.9
211.09650	12.4
216.08536	5.6
217.07076	2.6
220.11757	22.5
221.98509	1.1
230.10181	16.1
230.12271	1.8
234.09720	9.9
244.11765	3.9
250.64400	1.1
262.12793	22.2
310.12741	9.8
328.13824	72.0
329.14297	2.4
346.14838	11.4
364.15918	18.0
388.12302	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3879
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03940	2.0
55.01867	1.0
55.05501	11.3
57.03415	3.5
57.07064	1.9
65.03904	1.3
67.05492	21.0
69.07047	11.3
71.04992	1.1
71.08595	0.9
71.62978	1.5
77.00578	1.1
79.05057	1.2
79.05482	14.0
81.03400	1.3
81.07044	26.3
83.04955	1.3
83.08592	5.1
85.06543	2.1
91.05447	12.8
91.05934	1.4
93.07027	20.2
95.01600	6.8
95.04957	2.6
95.08591	22.7
96.35526	0.9
97.06516	2.6
97.10160	2.3
105.07011	17.3
107.08575	15.8
109.10129	8.1
111.08068	1.1
117.06977	5.5
118.03176	1.5
119.08560	16.8
121.06481	1.4
121.10130	12.9
123.08083	0.9
123.11692	2.7
125.09587	1.3
129.06944	2.1
130.04840	0.9
131.08539	12.9
133.10092	13.2
135.08046	1.5
135.11664	8.6
137.13193	1.1
143.08536	4.1
145.06804	4.5
145.10095	12.0
147.04716	2.2
147.11656	10.9
149.09616	1.1
149.13232	4.1
155.08484	1.6
156.09259	0.9
157.10092	5.2
159.11650	10.7
161.13228	6.5
163.11124	1.0
163.14847	3.0
169.10081	1.2
171.11687	4.6
173.13232	6.5
175.11098	1.0
175.14795	2.7
177.16484	1.4
183.11697	1.6
185.13258	3.2
187.14796	3.3
189.09406	2.3
189.12755	1.3
189.16386	1.7
191.14436	1.1
195.11708	1.3
197.13258	1.7
199.14778	3.2
201.16353	1.5
209.13217	1.1
211.14873	1.8
213.16402	2.3
215.18004	1.3
219.17245	0.9
226.79904	0.9
233.11826	1.2
241.17746	1.1
259.20618	2.9
263.20120	1.5
271.20566	1.1
273.22205	1.3
275.20218	1.2
293.20905	1.0
299.23853	1.6
301.25043	1.3
303.23114	1.1
313.25290	1.3
315.26465	1.7
317.24783	1.1
321.17252	2.0
333.24292	1.0
356.19876	1.0
405.30078	1.2
407.27695	1.3
407.33194	3.6
425.34125	9.9
443.35226	4.2
499.37799	15.1
517.38837	100.0
518.39209	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	517.3157
Annotation	Adynerin
Peak:m/z	Relative Intensity
53.03945	0.9
55.01871	0.7
55.05503	3.1
57.03423	0.6
60.08167	0.5
63.50877	0.5
67.05502	5.1
69.03423	2.1
69.07051	2.8
71.01347	1.3
71.04978	1.0
79.05482	2.8
81.03389	2.4
81.07047	6.0
83.04979	1.4
83.08617	0.6
85.02907	1.0
85.06527	0.8
86.09687	0.9
91.05475	3.7
93.07041	4.9
95.04967	2.4
95.08603	7.2
97.06541	2.2
97.10169	0.8
103.05457	0.6
105.07027	9.4
106.07339	0.6
107.04947	0.9
107.08584	8.0
109.02833	0.8
109.06504	2.1
109.10142	4.3
111.04462	0.8
111.08069	1.5
117.07034	1.5
119.08570	11.6
121.06503	2.0
121.10123	5.5
123.04415	0.9
123.08071	1.4
123.11724	1.7
125.09608	1.2
127.03893	0.8
128.06253	0.5
129.06996	1.8
131.04958	1.9
131.08568	5.1
133.06444	2.4
133.10112	5.2
135.08057	4.9
135.11694	2.9
137.05988	0.8
137.09561	0.9
139.03943	1.5
139.07494	0.6
141.06984	0.6
142.07811	0.7
143.08553	4.0
145.06480	0.9
145.10086	6.4
147.04416	0.6
147.08029	2.2
147.11678	5.9
149.05978	0.5
149.09630	2.9
149.13246	1.5
151.07486	1.0
151.11197	0.9
153.09109	0.9
155.08569	1.4
156.09351	1.4
157.10118	4.7
159.08064	2.0
159.11668	5.3
161.06029	0.7
161.09598	3.8
161.13229	2.9
163.03952	0.7
163.07571	1.8
163.11108	2.3
163.14844	1.3
165.09106	0.6
165.12834	0.6
169.10153	2.0
171.11670	4.1
173.09610	2.2
173.13220	5.0
175.07578	0.7
175.11165	3.7
175.14790	4.8
177.12785	1.1
177.16313	0.9
181.10124	1.0
183.08086	0.5
183.11722	1.7
184.07292	2.5
185.09662	1.3
185.13240	2.1
187.07570	0.6
187.11140	3.5
187.14798	3.1
189.09102	1.0
189.12717	2.7
189.16379	4.0
191.10616	1.1
191.14319	1.1
195.11758	1.4
197.09729	0.5
197.13313	1.7
198.14085	0.4
199.11206	2.9
199.12938	0.5
199.14867	1.8
201.09132	0.7
201.12697	2.4
201.16473	1.3
203.10635	0.7
203.14333	2.0
205.12204	0.8
207.11966	0.5
207.13879	1.2
209.13290	1.1
211.11266	0.7
211.14799	0.9
213.12729	1.6
213.16353	0.9
215.10739	1.5
215.14394	1.4
217.12227	1.0
217.15881	1.8
219.13885	0.8
223.11002	0.5
223.14937	0.8
225.12708	0.6
225.16412	1.2
227.10681	1.0
227.14412	0.9
227.17952	1.1
229.12234	0.8
229.16045	0.7
229.19502	0.5
233.11670	0.8
239.14427	0.8
239.17955	0.6
241.15877	0.7
241.19489	0.7
243.13690	0.6
243.17484	1.2
253.15903	0.6
253.19484	0.5
255.17393	0.7
257.15359	0.5
263.18228	0.5
269.18893	0.5
281.18945	0.6
289.14764	0.5
289.18079	0.8
305.22684	0.9
309.22168	1.1
323.20279	0.5
323.23853	1.9
324.24442	0.7
341.21198	1.8
351.23215	0.7
355.22610	0.7
356.21457	0.5
359.27271	0.5
365.10355	0.9
365.28564	0.9
369.24310	2.0
370.24765	2.5
383.26041	1.3
387.27039	0.5
389.28488	0.9
405.27866	1.4
407.29807	0.8
409.27405	1.3
411.29285	0.9
417.27820	1.7
423.28949	1.1
435.28702	2.8
451.28220	3.2
453.30237	4.1
463.28464	5.4
469.29416	2.3
471.31207	3.0
481.29446	7.5
482.29803	1.1
499.30545	28.9
500.30701	1.6
517.31647	100.0
518.19427	1.3
518.32050	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	517.3152
Annotation	Adynerin
Peak:m/z	Relative Intensity
55.01862	4.9
55.05505	25.1
57.07058	4.7
60.08143	6.2
64.13766	3.9
65.03918	5.5
65.23819	3.8
67.05488	47.3
69.03426	12.0
69.07051	18.8
70.22092	3.9
71.04977	6.0
79.05472	27.5
81.03397	6.0
81.07035	56.2
83.04971	8.3
83.08599	8.1
86.09682	16.9
91.05474	36.3
93.07037	55.0
95.04971	18.9
95.08590	76.9
97.02857	9.6
97.06500	10.2
97.10130	8.2
98.21512	9.1
104.10732	26.1
105.07021	56.5
105.11026	5.1
107.04909	7.1
107.08571	54.1
109.06491	13.4
109.10143	36.6
111.08040	9.1
115.05435	5.3
117.07005	11.9
119.08552	95.2
119.09344	8.0
119.58474	4.3
121.06514	7.9
121.10108	40.2
123.08047	12.7
123.11678	13.9
124.99959	8.7
125.09609	9.9
129.06958	9.9
131.08588	26.7
133.10092	46.5
135.08051	15.4
135.11656	19.3
137.09566	6.5
142.07768	5.6
143.08569	20.4
145.06461	4.7
145.10088	48.3
146.10469	4.2
147.08026	8.4
147.11673	36.5
149.09537	11.6
149.13210	14.2
153.09099	9.8
155.08507	9.2
157.10107	23.4
159.11694	25.4
161.09613	10.3
161.13251	21.6
163.11125	6.4
163.14815	20.9
164.52551	3.8
167.08575	7.4
169.10161	11.1
171.07942	5.2
171.11658	12.5
172.41550	5.0
173.09633	6.3
173.13182	22.3
175.11182	8.9
175.14783	20.4
177.12694	9.8
177.16351	25.2
183.11681	11.2
184.07332	27.7
185.07782	6.1
185.09518	5.8
185.13235	14.4
187.11234	5.9
187.14771	27.9
189.12743	7.7
189.16347	100.0
191.14288	10.4
191.17899	17.1
193.52057	4.9
197.13165	5.0
199.11137	5.3
199.14758	6.9
201.16293	11.7
203.14281	10.6
203.17935	19.6
205.15900	4.5
207.17387	8.5
209.13171	4.5
213.16396	8.3
215.17830	5.3
217.12280	6.7
235.16924	25.6
247.13396	4.9
247.16660	4.7
251.12711	15.8
263.12808	5.1
265.14368	14.2
275.20120	6.6
298.04504	4.3
357.20569	5.2
367.26312	5.2
379.29761	4.5
407.29385	9.9
417.27872	5.0
425.30203	11.9
435.28571	23.4
451.28622	9.0
453.29962	86.7
454.30521	6.0
455.15884	4.4
463.27951	6.8
471.31088	29.4
481.29602	28.9
499.30496	34.3
517.30725	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	517.3155
Annotation	Adynerin
Peak:m/z	Relative Intensity
51.02411	4.0
51.06138	4.3
51.45326	4.1
53.34515	3.8
55.05508	31.8
55.47895	5.7
56.15170	5.0
57.03432	12.8
57.07063	8.5
67.05489	55.2
67.55469	4.4
69.03421	9.4
69.07053	25.1
71.04963	9.1
71.62740	8.1
71.63091	5.2
79.05479	50.1
81.03413	20.0
81.07047	66.7
83.04985	8.0
83.08612	20.4
85.06531	7.9
86.09728	5.7
91.05473	53.3
93.07037	63.4
95.04959	18.3
95.08597	79.3
97.02901	9.1
97.06523	7.7
97.10159	13.3
105.07014	71.3
106.07359	4.7
107.04960	10.5
107.08592	69.4
109.06534	14.4
109.10148	51.5
111.08047	7.5
111.61841	5.5
115.05423	7.5
117.07003	21.7
119.08562	99.0
119.70182	5.2
121.06507	13.6
121.10139	48.5
123.08055	9.2
123.11675	6.8
125.09631	17.2
128.06277	5.5
129.06992	14.2
131.08536	53.4
133.06497	7.6
133.10098	54.7
134.10419	5.6
135.08063	12.1
135.11691	20.7
137.05943	5.1
139.07568	5.0
141.06979	7.6
142.07776	6.6
143.08554	26.1
145.10127	48.0
147.08054	11.6
147.11665	43.4
149.09578	9.7
149.13240	18.1
151.11095	5.9
153.09117	13.2
155.08609	9.1
157.10098	25.1
159.08141	9.1
159.11729	25.1
161.09621	7.4
161.13263	22.1
163.11244	6.5
163.14821	22.3
169.10127	14.5
171.11659	18.6
173.09618	10.0
173.13255	20.6
175.11252	12.3
175.14793	19.5
177.12729	11.1
177.16365	15.7
183.11641	8.5
184.07376	15.7
185.07785	5.3
185.13242	17.5
187.11279	7.4
187.14828	33.7
189.12747	17.8
189.16367	100.0
191.14352	8.3
191.17946	24.6
193.12231	8.9
195.11650	5.8
197.13245	9.7
199.11237	6.4
199.14799	10.7
201.08981	5.7
201.12741	9.6
201.16359	12.1
203.14366	11.1
203.17955	14.3
205.12204	5.9
205.15929	6.2
207.17357	8.6
210.80504	5.5
211.14864	6.7
213.16447	10.8
215.17953	11.4
217.12157	6.3
225.16434	6.0
226.12628	5.6
227.17995	8.4
229.12181	7.7
229.15897	7.3
233.19052	11.4
235.16818	23.6
239.64441	5.6
251.12807	18.0
263.12772	6.7
265.14264	14.1
267.15869	9.9
271.13287	7.0
289.21378	7.1
357.20419	9.8
367.25977	5.6
405.28024	6.1
407.29297	18.6
417.28058	10.6
425.30280	17.7
435.28836	21.3
453.29916	81.7
454.30261	7.2
469.14844	5.5
471.30688	9.0
481.29129	32.3
499.29211	35.6
512.79034	5.6
517.34778	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3154
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
53.03931	1.7
54.97889	0.8
55.01858	1.3
55.05500	8.0
57.03428	2.2
57.07063	1.6
58.33025	0.9
59.04993	1.8
60.08136	1.4
60.41424	0.8
67.05223	1.0
67.05499	10.6
69.03426	2.0
69.07059	7.1
70.88342	2.3
70.88721	2.2
71.04976	2.0
75.61801	0.9
79.05472	8.5
81.03375	1.7
81.07049	18.0
83.04961	4.4
83.08617	4.9
85.06533	2.0
86.09698	4.9
87.04453	3.1
91.05468	11.3
93.07027	15.9
95.04946	4.6
95.08591	28.3
97.06514	4.9
97.10159	1.6
99.04421	1.2
99.41323	1.2
104.10726	7.5
105.07015	23.6
107.08574	30.7
109.06477	5.0
109.10146	14.2
111.04427	1.4
111.08064	2.5
113.05975	1.0
115.05387	1.3
117.06968	4.8
119.08562	37.0
121.06503	2.8
121.10123	20.8
121.36932	1.1
123.08041	7.0
123.11697	4.3
125.00021	2.2
125.09616	4.7
127.07488	1.3
127.11195	2.4
129.05450	1.8
129.06969	3.1
130.07727	1.1
131.08554	19.4
133.10110	23.9
133.90547	1.0
135.08046	4.4
135.11670	8.6
136.78107	0.9
137.09627	3.1
137.13184	2.0
139.03874	1.8
139.07481	2.1
142.07790	1.7
143.08557	10.5
145.10101	28.3
147.08032	2.4
147.11664	14.6
149.09584	4.0
149.13271	7.3
151.07492	2.4
151.11098	2.0
153.09074	2.7
155.07010	2.9
155.08537	4.2
156.09261	2.2
157.10126	11.9
159.07956	3.8
159.11685	17.0
161.09634	3.0
161.13229	9.3
163.07536	3.1
163.11185	3.3
163.14848	3.7
165.09100	2.7
165.12802	2.5
169.08595	7.5
169.10129	4.9
170.10814	1.3
170.83342	1.1
171.11655	9.8
173.09680	2.8
173.13242	22.8
175.11182	4.4
175.14804	11.0
177.09154	5.8
177.12680	1.9
177.16371	4.1
179.10741	1.6
181.10121	2.1
181.12204	1.1
183.11761	5.5
184.07382	6.9
185.13206	10.2
187.11220	3.0
187.14790	36.1
189.09142	1.7
189.12752	3.8
189.16324	15.2
191.10625	2.1
191.14250	3.6
191.17969	3.0
193.12167	5.0
193.15845	1.2
195.11688	2.4
197.13290	4.1
199.11189	2.1
199.14769	7.8
201.12712	2.3
201.16385	15.3
203.10640	1.1
203.14310	2.3
203.17879	5.0
205.12267	3.8
205.16055	1.4
207.11884	1.4
207.13741	2.2
208.12488	1.2
209.11674	3.5
209.13354	2.0
211.13103	1.9
211.14816	3.9
213.16322	13.4
215.10640	1.2
215.14386	2.0
215.17883	16.1
217.12263	2.8
217.15918	1.2
219.13838	4.4
221.13333	1.2
223.14911	2.3
225.12904	1.3
225.16383	3.4
227.17917	4.1
229.15852	1.3
229.19560	1.4
231.13861	1.3
233.15352	3.5
235.13075	2.0
235.16965	3.1
237.14661	1.6
237.16666	1.3
239.17953	4.7
241.19514	4.4
247.16965	4.7
249.14630	1.5
251.18127	1.5
253.19589	4.1
261.18518	8.1
265.14520	1.1
265.19626	1.5
267.21066	3.5
269.22629	1.6
279.21017	1.4
281.22525	1.1
283.16931	1.4
283.20349	1.2
285.18518	1.7
291.21033	1.4
293.18997	1.3
293.22534	1.6
297.18646	1.2
299.20032	2.2
311.19916	1.5
313.21695	1.2
319.24124	1.3
323.27344	1.1
347.23566	1.7
361.28973	1.7
365.24802	1.2
367.26239	3.0
379.30060	3.2
389.28586	3.2
391.29910	2.2
395.29425	4.5
397.30920	1.4
407.29401	18.6
409.30713	2.2
411.28775	1.7
417.27988	1.8
423.29126	1.5
425.30438	22.5
426.30704	1.6
435.28806	7.9
453.29810	21.5
463.28235	2.2
469.29578	1.6
471.30991	17.4
481.29596	4.0
499.30450	26.6
500.30917	2.1
517.31555	100.0
518.32202	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	516.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01859	0.8
55.05502	2.5
56.86600	0.7
57.03432	1.0
62.04227	0.6
67.05492	16.8
69.03423	5.0
69.07054	1.8
69.65308	1.7
69.65717	4.1
70.79926	0.7
71.04977	2.0
79.05479	3.0
81.03411	16.1
81.07046	11.5
83.04979	0.9
85.02887	3.5
85.06532	1.1
91.05457	2.5
93.07032	4.7
95.04962	3.5
95.08585	6.8
97.02881	4.6
97.06518	0.9
99.04440	2.8
99.08099	0.8
105.07022	2.8
107.08543	3.9
109.02865	14.8
109.06493	2.0
109.10143	43.7
111.04402	1.2
111.08138	0.9
119.04935	1.0
119.08557	4.8
121.10157	2.1
123.04414	0.9
125.05955	2.3
127.03908	7.6
131.08646	0.7
133.10100	0.7
135.08046	2.0
137.09599	100.0
138.09955	1.7
147.04396	2.4
149.09508	1.0
150.59525	0.7
155.10654	5.3
159.11690	1.0
161.09596	1.0
163.07561	1.0
163.11250	0.8
165.09094	82.9
166.09416	1.9
177.05482	1.1
183.10181	7.0
187.11070	0.9
201.11203	10.1
291.12213	5.5
309.13278	48.2
327.14383	13.5
345.15384	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	516.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01857	1.2
55.05507	2.2
57.03430	2.2
67.05493	16.1
69.03410	6.5
69.07056	2.7
71.04975	1.2
71.51719	1.3
72.23637	0.8
72.83124	1.0
79.05486	2.9
81.03403	16.5
81.07033	11.5
83.04964	2.3
85.02879	4.1
85.06544	1.5
88.23572	1.1
89.03879	1.0
91.05454	3.9
93.07041	7.8
95.04940	4.9
95.08586	8.3
97.02868	4.3
97.06509	2.6
99.04430	2.9
99.08076	1.5
105.07020	4.5
107.04948	1.4
107.08558	6.0
109.02865	17.0
109.06516	3.5
109.10136	41.9
111.04424	1.2
111.08071	1.1
117.03321	1.9
119.04882	1.7
119.08542	9.5
121.02945	1.3
121.06475	1.6
121.10123	6.8
123.11725	1.8
125.05955	2.2
125.09657	1.3
127.03898	8.0
131.08542	1.6
133.10120	4.0
135.08025	2.9
135.11644	1.3
137.05991	3.4
137.09592	100.0
138.09906	1.4
143.08540	1.8
145.02818	7.6
145.10075	3.0
147.04390	2.9
147.11647	1.0
149.05948	1.1
149.09630	2.5
151.03886	0.9
155.10643	6.5
159.11681	1.1
160.34589	1.0
161.09625	1.7
163.07607	0.9
163.11185	2.4
164.11559	1.1
165.09085	87.3
166.09436	2.8
173.09625	1.1
173.13219	1.6
177.05446	14.1
177.09157	0.9
178.08578	1.1
179.03391	2.2
183.10107	7.6
193.15849	1.1
201.11180	10.1
221.08110	1.2
245.08194	1.2
256.31924	1.0
291.12186	7.8
300.23859	1.5
301.21524	1.1
309.13275	55.2
310.13730	1.7
311.14355	1.3
319.22641	1.4
321.09848	1.2
327.14352	14.0
339.10580	1.1
345.15250	2.2
377.37256	1.0
410.12585	0.9
428.42807	1.0
453.50510	1.0
463.19086	1.3
516.29657	1.2
517.27441	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.5
53.03929	2.5
55.01860	1.3
55.05254	0.9
55.05502	12.9
57.03429	3.7
57.07069	1.5
65.03931	1.3
65.16946	0.5
67.05495	36.9
68.05831	0.6
69.03424	1.2
69.07053	11.8
69.87965	3.5
71.01328	1.3
71.04980	2.2
77.03938	0.6
79.05480	35.5
81.03413	2.0
81.07045	27.3
83.04973	5.0
83.08610	3.5
85.06516	2.0
91.04886	0.9
91.05466	20.0
93.07027	40.5
95.04942	5.6
95.08590	18.2
96.52058	0.5
97.06522	6.0
97.10146	5.2
99.08079	1.0
105.07017	12.4
107.04956	1.1
107.08580	23.1
109.06538	1.7
109.10138	8.2
109.10830	0.9
111.08064	1.7
111.11664	0.6
117.06987	6.6
119.08554	11.1
119.09341	1.0
121.06496	0.9
121.10119	13.0
123.08036	1.0
123.11703	1.9
125.09614	1.9
126.64008	0.5
128.06194	0.5
129.07013	1.8
131.07677	0.9
131.08559	8.7
133.10114	7.4
135.08069	1.1
135.11673	28.5
137.09581	0.8
137.13161	0.6
141.07016	0.6
143.08551	3.0
145.10103	9.2
147.11699	4.0
149.13242	3.3
151.11183	0.7
153.12720	1.3
155.08551	0.9
157.10158	2.4
159.11646	5.1
161.09550	0.8
161.13251	2.5
163.11150	2.7
163.14848	0.7
165.12920	0.5
169.10098	0.9
171.11711	2.4
173.13237	4.2
175.14844	1.1
181.12204	4.4
183.11699	1.4
185.13264	2.1
187.14798	1.3
189.16255	0.8
197.13205	1.0
199.13184	0.9
199.14806	1.5
201.16338	1.1
225.16403	0.6
243.21121	1.5
255.16042	0.7
261.22003	4.7
299.23627	1.1
317.24725	1.8
389.26489	0.7
405.31531	0.9
423.32562	4.1
441.33466	2.0
497.36337	3.4
515.37256	100.0
516.37701	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	515.3722
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
53.03929	2.7
55.01850	1.9
55.05503	12.3
57.03431	5.1
57.07067	1.5
58.24584	0.7
65.03928	2.0
67.05492	39.0
69.07059	11.7
71.01347	1.5
71.04971	3.1
79.05477	34.4
81.03405	2.9
81.07040	30.2
83.04964	4.6
83.08591	5.1
85.06547	2.1
91.05462	23.1
93.07025	43.1
95.04953	5.7
95.08587	19.2
97.06516	6.1
97.10162	4.6
99.08044	1.7
105.04466	1.2
105.07005	12.7
107.08575	28.7
109.06475	1.5
109.10126	9.0
111.08074	1.3
117.07008	6.8
119.08562	10.6
121.06461	1.2
121.10120	13.7
123.11706	2.4
125.09589	1.2
129.07013	2.1
131.08528	8.4
133.10103	7.7
135.07977	0.7
135.11667	26.4
137.13292	1.1
139.11119	1.3
141.06912	0.7
143.08569	2.7
145.10089	10.7
147.11673	5.1
149.13248	2.9
152.33954	0.7
153.12723	1.8
155.08508	1.1
157.10135	2.8
159.11690	6.4
161.13263	3.4
163.11177	2.8
163.14822	1.7
167.08548	0.9
169.10129	1.4
171.11676	2.5
173.13231	4.5
175.14816	1.2
178.48933	0.7
179.85861	0.7
181.12215	4.2
183.11694	1.4
185.13237	2.7
187.14810	1.9
189.16319	1.3
195.11694	0.9
197.13251	1.9
198.87019	0.8
199.14876	1.3
201.16382	1.4
209.13121	1.1
211.14667	0.9
213.16422	0.9
215.17990	1.2
225.16393	0.9
243.20996	1.3
261.22156	3.5
299.23477	0.8
317.25275	0.8
335.25690	0.8
388.81589	0.7
405.31454	1.6
409.34543	1.8
423.32516	4.5
427.35907	1.2
441.33405	1.2
441.96225	0.7
459.34879	1.2
497.35968	2.4
515.37244	100.0
516.37445	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.3
55.01858	4.3
55.05505	19.2
56.62905	3.1
57.03421	10.9
61.02909	4.8
62.18458	3.4
65.21471	3.1
67.05164	4.8
67.05496	72.0
69.03414	7.7
69.07067	19.9
71.04982	5.3
79.05479	52.7
81.03410	14.3
81.03844	2.8
81.07045	100.0
83.04974	7.7
83.08606	13.8
85.02885	8.2
85.06516	4.0
91.03952	3.3
91.05460	33.9
93.07032	57.9
95.04939	7.6
95.08587	71.2
97.02917	4.1
97.06502	8.2
97.10125	3.9
99.08094	5.3
101.06019	3.3
105.06999	33.6
107.04936	4.3
107.08572	44.6
108.08925	3.6
109.02876	3.7
109.06496	8.6
109.10148	31.6
111.08073	5.6
111.11691	3.3
115.05452	2.9
117.07018	14.5
119.08547	27.5
119.74347	2.8
121.06508	5.7
121.10123	36.7
123.11697	14.7
128.06245	3.3
129.07025	4.9
131.08559	20.8
132.81050	2.9
133.10121	26.8
135.08037	6.4
135.11668	26.2
137.09641	3.3
137.13254	7.0
143.08534	5.8
145.06308	3.3
145.10089	22.2
147.08015	4.5
147.11671	21.9
149.13232	19.7
151.11115	4.3
154.56911	3.1
157.10110	5.6
159.11671	21.2
161.09627	4.4
161.13251	13.6
163.14816	13.4
169.10121	3.4
171.11707	7.5
173.13222	15.1
175.11201	3.3
175.14856	6.3
177.16393	4.1
184.07288	3.6
187.14803	12.1
193.12244	4.0
195.11719	5.1
195.35727	3.0
199.14822	4.3
211.13211	4.6
218.79733	3.3
229.46371	3.9
243.21040	22.9
261.22104	68.4
269.17380	5.3
270.17752	8.9
279.23102	3.8
285.16913	5.3
285.22043	3.4
286.17520	3.6
335.25818	19.8
345.23941	4.0
353.26825	21.7
369.24307	6.5
387.25354	5.0
405.25943	5.4
419.27966	7.2
443.28015	4.2
461.28839	8.2
469.29321	5.6
479.29971	4.6
480.30276	13.9
497.30875	13.5
515.30005	8.5
523.54993	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	515.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47289	1.3
53.03939	6.4
55.01860	3.0
55.05507	19.7
55.22026	1.4
57.03429	10.9
57.07067	5.6
61.02916	3.2
65.03938	3.7
67.05498	95.4
69.03421	5.6
69.07063	20.8
70.06050	4.5
70.06461	3.2
71.04985	4.5
71.08634	1.8
73.02930	2.1
75.04450	2.4
79.05485	54.8
79.05954	2.7
81.03411	4.5
81.07050	100.0
83.04973	4.3
83.08601	10.8
85.02879	7.8
85.06536	4.0
91.03940	2.5
91.05468	34.0
93.07032	62.7
95.04955	9.0
95.08600	80.0
97.02877	4.0
97.06527	7.8
97.10173	4.7
99.04453	1.5
99.08080	4.4
105.07018	30.1
107.08587	42.2
109.02805	1.8
109.06525	7.4
109.10145	39.0
111.08065	4.6
113.09656	2.0
117.07033	12.3
119.08573	26.2
121.06515	2.3
121.10131	42.0
123.08085	3.9
123.11694	19.8
127.03946	1.7
127.11168	1.5
129.06993	6.4
130.07761	1.7
131.08560	24.3
133.10101	20.2
135.08031	4.4
135.11681	35.4
137.09570	3.9
137.13226	8.4
139.11134	3.8
139.50414	1.5
143.08545	6.0
145.10104	22.1
147.11681	18.8
149.09619	2.0
149.13245	21.8
151.11182	2.5
151.14824	2.3
154.13841	1.3
157.10092	4.6
159.11644	19.8
161.09673	1.8
161.13240	13.6
163.11139	1.6
163.14793	15.4
165.12775	2.9
169.10161	2.1
171.11659	5.2
173.09628	1.7
173.13246	17.2
175.14784	5.5
177.12743	4.5
177.16359	6.3
179.14273	3.5
183.11671	2.1
185.13277	3.1
187.14792	12.5
189.02988	1.8
191.14284	1.8
195.13821	2.0
199.14865	2.3
201.16382	4.3
205.16010	1.6
217.15822	1.6
233.22650	3.6
243.21046	31.5
243.23308	2.3
261.22119	85.7
279.23145	6.2
285.22137	2.9
301.21451	2.8
303.23175	4.2
317.25000	2.1
335.25809	27.6
345.24200	3.3
353.26810	21.7
369.24149	4.1
377.26947	2.7
383.20776	1.5
387.25211	2.4
405.26584	2.7
419.27911	5.1
443.27814	2.5
461.28882	3.6
479.30057	2.9
497.31076	12.0
515.36621	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	515.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	22.8
57.03430	7.8
57.07066	4.4
61.02919	6.9
67.05494	88.4
69.03403	15.1
69.07059	23.4
71.04942	4.7
73.02921	4.3
78.10927	4.2
79.05480	62.1
79.12824	3.2
81.03403	10.0
81.07049	100.0
82.07355	3.3
83.04955	9.9
83.08602	15.3
85.02873	6.4
85.06551	5.2
88.75100	3.4
90.61117	3.1
91.05463	47.5
93.07027	66.8
95.04947	15.6
95.08593	79.6
97.02903	6.8
97.06512	8.6
97.10142	7.8
99.08085	4.9
105.07016	42.1
107.04924	7.8
107.08585	51.7
109.06489	10.9
109.10136	43.4
113.09544	4.3
117.07025	20.0
119.08571	36.0
121.06538	4.6
121.10126	45.8
123.08043	3.8
123.11662	17.8
125.09611	5.2
129.06981	12.9
131.08536	29.7
133.10110	31.3
135.08003	4.0
135.11673	35.2
137.09647	4.6
139.11084	3.8
143.08530	15.1
145.10100	33.1
147.08047	5.7
147.11676	24.6
149.09599	5.8
149.13234	26.6
155.08551	8.4
157.10100	12.5
159.08041	4.3
159.11690	23.8
161.09526	4.5
161.13179	14.0
163.14775	11.8
165.12738	3.8
171.11652	11.7
173.13235	24.7
175.11166	4.7
175.14723	4.9
177.12778	5.6
177.16373	8.6
183.11681	4.9
185.13245	7.5
187.14810	12.8
199.14795	5.7
201.16310	5.5
243.21129	23.7
261.22101	63.0
273.21838	4.0
279.23114	6.6
301.21472	4.4
303.23026	6.1
335.25577	10.9
353.26956	18.2
369.24139	6.9
405.26230	11.4
419.27844	9.7
435.28714	5.5
461.28546	6.8
479.29626	7.2
497.30740	8.9
515.28815	4.0
515.37695	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	515.3002
Annotation	fijianolide A
Peak:m/z	Relative Intensity
53.03950	1.6
55.01865	1.5
55.05500	8.4
57.03432	2.2
57.07049	2.2
60.08150	4.2
67.05489	12.0
69.03409	4.6
69.07059	9.2
69.22031	1.3
71.04978	3.5
71.62865	1.9
79.05476	13.8
81.03388	3.4
81.07043	25.2
82.50124	1.5
83.04952	4.9
83.08595	3.1
85.02888	2.7
85.06541	2.1
86.09692	20.6
87.04460	3.4
91.05463	12.1
93.07039	17.7
95.04955	6.3
95.08597	21.7
97.06527	10.2
104.10727	32.8
105.06377	1.9
105.07018	25.4
107.08581	28.5
109.06490	10.2
109.10140	17.5
111.08067	5.3
117.06995	7.6
119.08570	35.3
121.06493	5.2
121.10130	19.1
123.04395	4.4
123.08092	8.6
123.11705	4.4
124.99989	10.9
125.09596	5.7
127.07536	6.2
128.06212	2.4
129.07007	9.0
130.07704	2.0
131.08546	23.8
133.10106	19.1
135.08049	6.1
135.11673	9.2
137.05951	2.4
137.09607	3.2
139.03873	7.9
139.07527	2.5
141.06979	3.9
141.26758	1.3
142.07745	3.2
143.08539	18.9
145.10101	30.4
147.04370	1.7
147.08012	4.0
147.11646	17.3
149.06087	1.7
149.09578	4.5
149.13211	3.9
151.11160	1.5
155.07063	2.8
155.08530	7.4
156.09271	5.9
157.10114	15.4
159.08040	2.4
159.11674	21.7
161.09610	5.0
161.13235	10.5
163.03911	3.8
163.07458	3.1
163.11130	4.8
163.14775	2.8
165.06976	2.6
165.09016	2.1
165.12758	2.2
167.08502	2.6
167.10660	1.9
168.09332	2.5
169.08594	7.6
169.10115	12.7
170.10838	3.1
171.08093	1.9
171.11652	22.3
173.09618	3.5
173.13225	18.6
175.07642	1.8
175.11203	4.3
175.14838	5.8
177.09042	6.1
177.12743	3.9
179.10738	1.8
181.10095	6.8
181.12187	2.5
182.10957	2.1
183.11678	13.5
184.07312	34.5
185.09595	2.2
185.13222	29.7
187.11153	2.3
187.14813	20.9
189.09155	2.1
189.12706	2.9
189.16269	3.1
191.03362	3.0
191.10544	2.5
191.14311	1.9
193.10226	2.9
193.12209	4.8
194.10750	3.0
195.11693	8.7
196.12317	2.0
197.13254	9.3
199.11108	4.1
199.14783	18.2
201.09029	2.4
201.12767	4.8
201.16380	5.5
203.14319	2.5
205.12239	2.5
207.11664	2.4
208.12366	1.8
209.11589	3.7
209.13229	6.6
210.14143	1.4
210.73669	1.5
211.11328	2.3
211.13092	3.2
211.14926	7.4
213.12758	4.8
213.16345	14.4
215.14273	4.6
215.17879	1.8
217.12225	2.9
219.10083	3.7
219.13673	3.4
221.13408	2.5
221.15373	2.4
223.14883	3.7
225.16330	8.0
227.14259	2.2
227.17821	2.6
231.13841	3.3
231.17409	1.9
233.13264	2.4
233.15323	2.7
235.14833	3.3
237.16428	4.1
239.17931	4.3
241.16103	1.6
245.15312	4.6
251.18044	3.9
253.19389	2.4
257.15527	2.0
259.16843	5.8
265.19360	2.1
279.20950	1.6
279.29434	1.4
283.16849	2.2
289.19617	1.9
291.59448	1.7
297.18616	1.6
303.20798	2.1
305.22717	1.7
311.19980	2.0
319.24036	2.6
341.21136	2.7
363.23093	1.8
365.24710	4.0
375.26840	2.5
381.24445	1.6
387.26758	3.9
389.28476	1.7
393.28030	3.1
395.29495	1.7
403.26114	1.5
405.27866	17.7
415.26291	5.3
423.28940	21.2
433.27313	9.5
439.28403	2.2
451.28436	23.9
461.26620	2.7
469.29373	23.3
479.27847	4.4
497.28891	29.8
498.29608	4.4
515.17523	2.5
515.29913	100.0
516.30609	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2997
Annotation	Ganoderic acid V1
Peak:m/z	Relative Intensity
55.05508	16.2
56.22555	2.5
56.31522	2.7
57.03429	4.4
63.60138	2.8
67.05500	21.8
69.07049	12.9
71.04990	3.1
71.62937	6.9
79.05482	20.7
81.03423	6.0
81.07045	33.3
82.48825	2.5
83.04980	7.4
83.08600	8.3
85.06526	4.6
88.07607	3.2
91.05459	25.8
93.07034	28.1
95.04942	10.5
95.08596	37.7
97.02874	6.4
97.06525	4.2
99.62460	2.6
105.07007	40.0
107.04926	5.3
107.08595	35.2
109.06487	10.7
109.10139	24.3
111.08048	5.6
112.09807	2.7
117.06986	16.0
119.08566	97.9
121.06458	5.1
121.10127	23.9
123.08049	7.5
123.11697	8.6
125.09610	5.7
128.06215	4.4
129.06963	10.3
130.07744	4.3
131.08543	37.2
133.06404	3.2
133.10103	38.2
134.10457	3.3
135.07954	4.4
135.11688	9.4
137.09610	6.8
137.13254	3.2
141.06960	3.4
142.07819	4.0
143.08537	21.1
145.10097	55.9
147.08035	5.9
147.11655	20.1
149.05949	5.2
149.09583	5.7
149.13261	13.8
151.07555	4.3
155.08528	9.6
156.09322	5.3
157.10123	25.2
159.07994	6.5
159.11707	27.4
159.12885	4.4
161.03958	2.6
161.09590	10.2
161.13234	29.3
163.07518	3.8
163.11162	4.6
163.14801	27.3
165.12758	3.6
167.08553	5.0
168.09344	3.1
169.10043	13.6
170.10910	3.7
171.11699	21.2
173.09641	5.8
173.13229	18.9
173.85158	2.7
175.11153	8.0
175.14799	22.3
177.09091	2.8
177.12753	4.5
177.16345	12.1
179.14297	3.2
181.10109	4.5
183.11646	9.2
183.39958	3.4
185.09694	3.2
185.13235	17.8
187.11197	7.3
187.14792	100.0
187.16422	6.0
189.09077	3.0
189.12729	9.1
189.16339	28.0
191.10620	4.5
191.14255	3.2
195.11696	4.5
197.09604	3.4
197.13275	6.6
199.11075	4.3
199.14807	14.3
201.16351	22.9
203.10736	4.1
203.14302	4.9
203.17999	4.9
205.12238	4.0
209.15215	3.1
211.14821	7.2
213.12778	2.7
213.16356	10.8
215.14241	3.1
215.17886	4.9
217.12360	3.8
221.15247	4.5
223.09616	5.5
223.14798	4.5
225.16309	3.9
227.17856	3.3
231.17450	3.8
233.15271	5.8
237.11081	4.1
241.12386	2.9
242.84976	2.6
247.16988	5.3
249.11220	10.4
249.14786	3.0
251.12717	26.5
263.12823	12.3
269.16788	2.5
275.12793	5.8
277.14288	14.9
398.35907	2.8
423.28729	4.8
433.27277	8.8
437.06979	2.7
451.28305	76.4
452.28372	4.3
453.29770	3.8
469.29230	36.3
479.27731	18.5
497.28885	53.3
515.28448	18.5
515.36591	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	515.2997
Annotation	Ganoderic acid V1
Peak:m/z	Relative Intensity
55.05502	7.7
67.05492	16.8
69.07060	8.6
70.83611	3.0
71.32881	6.2
79.05479	13.6
81.07040	27.0
85.06557	3.2
91.05463	22.4
93.07018	24.5
95.04963	6.5
95.08585	26.6
97.06512	6.4
105.07011	49.8
105.07672	4.8
107.08595	39.6
109.06518	11.2
109.10150	9.6
111.08105	3.8
113.58714	3.5
117.07014	11.7
119.08569	90.5
121.06499	4.4
121.10114	18.3
123.08067	4.5
125.09683	3.4
128.06219	5.0
129.06979	11.7
130.07748	4.2
131.08548	34.9
133.10101	32.1
135.08047	6.5
135.11702	10.1
139.03888	5.9
139.38580	3.2
143.08549	17.4
145.06474	5.6
145.10107	64.6
147.08017	6.9
147.11678	22.7
149.09595	6.8
149.13277	8.7
155.08592	4.6
157.10104	21.9
159.11676	24.9
161.09662	4.7
161.13252	24.5
163.07550	5.3
163.11296	4.2
163.14786	23.8
169.10110	10.6
171.11662	13.4
173.09608	6.8
173.13234	18.5
175.11194	6.5
175.14772	22.8
177.09116	3.6
177.12752	9.7
177.16377	9.1
183.06628	5.1
183.11662	5.5
185.13251	10.4
186.06973	3.4
187.11154	6.9
187.14789	100.0
189.12733	8.2
189.16359	30.9
191.10635	5.7
194.75287	4.3
195.11722	5.2
197.13249	7.4
199.11270	3.5
199.14789	15.0
201.16347	25.2
203.14342	4.1
209.13269	5.9
213.16341	8.4
218.16666	3.7
223.09929	4.2
227.10716	3.8
233.15321	4.8
237.11139	8.0
247.16855	4.0
249.11275	5.6
251.12724	26.8
263.12747	14.6
265.14447	4.7
275.12704	5.5
277.14316	19.1
289.14426	3.6
314.86038	3.6
423.28662	6.9
433.27371	7.2
451.28342	97.0
453.29807	7.3
469.29398	32.2
479.27805	14.2
493.97299	4.0
497.28915	65.5
515.29279	4.3
515.37146	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.96555	0.5
69.03412	1.1
69.07066	0.8
70.06591	0.5
71.61971	0.6
81.03396	0.7
81.07042	0.8
85.02895	1.3
91.05455	0.5
95.04951	0.4
95.08617	0.7
97.02858	0.8
98.97586	1.0
109.02869	0.5
111.04428	0.6
116.98654	0.6
119.04929	0.8
123.04410	0.8
127.03899	1.1
137.05904	0.7
137.09558	0.5
147.04422	2.3
148.04750	0.9
150.07735	1.1
151.03908	0.8
158.99596	0.6
177.00725	0.6
177.03958	0.5
177.05530	1.4
178.04881	0.6
206.04477	0.7
219.01765	1.2
237.02846	0.7
271.10968	0.5
287.10272	2.4
299.10324	0.6
317.11246	2.7
323.65353	0.5
335.12366	1.4
347.09174	0.7
363.06088	0.7
374.98267	0.5
483.10944	0.7
515.11566	100.0
516.11646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2998
Annotation	fijianolide A
Peak:m/z	Relative Intensity
50.75257	0.6
55.01856	1.0
55.05489	2.3
55.78174	0.5
55.93473	0.6
57.03429	0.6
61.63982	0.5
62.71442	0.6
65.03913	0.8
67.05499	3.8
67.28127	0.5
69.03429	2.8
69.07051	3.3
70.07236	2.8
71.01328	2.0
71.04975	1.2
79.05476	3.9
81.03395	1.5
81.07040	7.0
81.70975	0.7
83.04971	1.5
83.08603	1.2
85.02883	1.4
85.06519	1.2
85.98538	0.5
91.05465	4.8
93.07027	7.0
95.04975	2.9
95.08588	5.8
97.02865	1.1
97.06501	3.2
97.10171	0.8
97.90102	0.5
99.04432	0.6
101.61167	0.6
103.05462	0.7
105.07015	9.4
107.04957	0.8
107.08574	10.1
109.02874	0.9
109.06495	2.6
109.10124	4.3
111.04411	0.8
111.08067	1.7
113.05966	0.7
113.09615	0.6
117.06997	2.1
119.04881	1.0
119.08566	13.2
121.02853	2.9
121.06479	2.3
121.10113	5.9
123.04416	1.5
123.08081	1.6
123.11696	1.4
125.09615	1.7
127.03891	1.2
128.06172	0.9
129.06981	2.1
131.08549	6.0
133.06432	2.9
133.10126	6.1
135.04427	1.0
135.08034	6.0
135.11691	3.0
137.05984	0.8
137.09566	1.5
139.03876	1.2
141.06952	0.6
142.07741	1.4
143.08545	4.2
144.09285	0.8
145.06494	1.1
145.10106	9.8
145.11255	0.7
146.10504	0.6
147.04407	2.7
147.08017	2.0
147.11674	5.4
149.05957	1.4
149.09587	2.4
149.13245	1.6
149.16531	0.6
151.07523	1.5
151.11183	0.9
155.08466	1.3
156.09267	1.3
157.10078	4.3
159.08052	1.9
159.11659	7.1
161.05989	1.0
161.09593	3.4
161.13225	3.9
163.03918	2.2
163.07497	1.4
163.11186	2.2
163.14835	0.9
165.09116	1.2
165.12741	0.6
167.08548	0.8
167.10675	0.7
168.09314	1.0
169.10115	2.8
171.11646	4.3
173.09644	3.3
173.13239	7.9
175.07596	1.2
175.11133	3.9
175.14742	1.1
177.09142	1.4
177.12752	1.8
179.10680	0.7
181.10098	1.0
182.10828	0.8
183.11697	2.7
184.07324	0.8
185.09598	1.6
185.13235	4.0
187.07529	1.2
187.11163	4.2
187.14781	8.4
189.09158	0.9
189.12697	2.6
189.16367	1.8
191.03358	8.2
191.10661	3.3
191.14307	1.0
195.11697	2.2
197.06046	0.7
197.09641	0.8
197.13210	1.9
199.07529	0.7
199.11195	2.2
199.14864	2.2
201.09077	1.7
201.12723	3.7
201.16431	1.2
203.14351	0.9
205.12233	0.9
207.11786	1.0
207.13687	0.8
209.13272	1.7
211.11281	0.8
211.14836	1.5
213.12773	2.8
213.16273	0.7
215.10707	2.1
215.14299	2.2
217.12178	1.0
217.15894	0.6
219.10147	2.0
219.13779	1.4
223.14951	1.0
225.12671	0.7
225.16360	1.4
227.10768	0.8
227.17920	0.9
229.15703	0.7
231.10046	0.8
235.14908	0.7
241.15912	1.2
243.06573	0.8
243.10220	0.8
243.17389	1.0
249.16425	0.6
253.16139	0.8
255.17365	0.8
265.16028	0.8
267.06293	0.7
279.17502	0.9
285.07565	3.5
285.10599	0.5
303.21106	0.9
307.20578	1.0
321.22263	1.4
339.19592	2.2
349.21460	0.8
365.06549	2.5
367.22797	1.3
368.23581	2.9
379.18973	0.7
397.24933	0.8
403.26379	1.2
405.28052	1.3
407.25751	0.7
409.27725	1.1
415.26181	1.2
421.13034	1.0
421.27408	1.7
423.24966	0.7
433.27469	3.2
449.26794	2.4
451.28513	7.6
459.10703	0.7
461.26337	3.4
467.27930	1.5
469.29507	2.6
479.27756	6.1
497.21448	1.0
497.28888	25.4
515.29980	100.0
516.30103	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74420	0.6
52.30936	0.6
53.03914	0.7
53.68111	0.6
55.01847	0.6
55.05496	2.0
57.07063	0.6
60.40398	0.5
61.02917	0.6
65.03938	0.6
66.22112	0.6
67.05489	4.6
69.03416	1.6
69.07069	3.4
71.04952	0.6
71.62885	0.9
73.02915	0.6
79.05483	5.8
81.03394	1.9
81.07046	13.3
83.04964	2.7
83.08595	2.4
85.02879	4.1
85.06527	1.3
91.05448	5.3
92.08487	0.6
93.07030	9.1
95.04951	0.8
95.08590	11.2
97.02857	1.5
97.06515	1.3
97.10160	0.6
105.07012	7.4
107.08578	12.6
109.02847	1.8
109.06487	1.1
109.10141	10.3
111.08030	1.9
111.11702	2.0
117.07010	1.4
119.04921	2.3
119.08562	12.7
121.06512	0.8
121.10123	24.4
123.08050	2.0
123.11669	3.5
127.03871	0.6
131.08549	2.9
133.10086	7.1
135.08058	6.9
135.11671	36.3
136.12057	0.8
137.09583	5.9
137.13229	8.4
139.11234	0.6
141.09111	0.6
143.07419	0.6
143.08513	1.5
145.02766	1.8
145.10083	5.2
147.04391	11.4
147.08026	0.8
147.11661	11.5
149.09535	3.1
149.13217	3.1
151.11160	2.5
151.14771	0.9
155.08511	0.9
157.10117	2.3
159.11667	6.2
161.09625	1.5
161.13229	27.2
163.11150	3.2
163.14787	1.6
165.09116	4.1
167.10721	0.6
169.10036	1.1
171.11636	2.2
173.11961	0.7
173.13193	3.5
175.14793	1.7
177.05428	4.7
177.12691	5.6
177.16339	0.6
177.56538	0.6
179.14285	10.1
183.10190	0.9
183.11748	0.7
185.13196	3.0
187.14758	2.5
189.12706	2.0
189.16379	2.4
191.03319	0.8
191.14240	1.8
197.13264	1.2
199.14769	2.9
201.16376	2.0
203.14290	1.9
205.15924	2.9
207.13733	0.6
211.14757	1.7
213.16447	1.0
215.17921	10.7
217.15894	2.9
225.16353	1.9
227.17909	17.6
233.19019	1.4
239.58661	0.7
253.19524	0.7
271.24304	0.8
281.22617	11.8
299.23642	100.0
300.24011	4.2
309.13199	1.4
317.24557	4.1
335.25745	41.2
336.26144	1.9
515.21283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01876	3.6
55.05501	20.9
57.03428	17.5
57.07055	2.4
59.05006	1.6
65.03926	1.9
67.05495	49.4
68.12460	1.6
69.03407	1.8
69.07056	21.1
69.60653	11.7
71.04974	7.3
79.05047	2.8
79.05479	36.5
81.03404	45.0
81.07042	71.9
83.04970	16.2
83.08601	27.3
85.02892	13.9
85.06534	4.1
91.04904	1.2
91.05461	35.3
93.07029	51.7
95.04942	18.4
95.08590	22.3
97.02872	2.8
97.06516	9.3
97.10175	4.2
99.08063	2.6
100.22317	1.4
102.67827	1.4
105.07012	22.3
107.04945	4.3
107.08582	27.2
109.06490	5.5
109.10136	9.3
111.08068	12.3
113.06004	1.7
117.06974	6.8
119.08577	15.7
121.06524	2.1
121.10126	19.2
123.08047	3.0
123.11703	4.8
125.09606	2.0
129.06972	7.9
131.08559	14.4
133.06487	2.7
133.10109	16.7
135.11646	7.8
137.09645	2.4
139.11113	1.5
142.07690	3.0
145.10071	4.7
147.08022	2.3
147.11667	11.6
149.09639	7.0
149.13231	20.9
151.11159	1.5
157.10100	13.3
159.11612	12.0
165.12796	1.6
173.11626	1.5
175.11156	7.8
177.12743	7.9
189.69072	1.6
193.12198	33.4
193.13853	2.6
195.13771	10.0
211.13246	49.8
267.15826	19.7
269.17426	100.0
270.17755	1.8
285.16919	48.4
341.10135	1.6
461.28882	33.9
479.29953	83.0
480.30136	1.9
514.27887	2.9
514.35809	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38112	0.5
53.03930	0.6
54.38281	0.6
54.87504	0.5
55.01866	0.8
55.05503	1.8
55.28538	0.6
57.03413	1.0
61.02897	1.5
67.05492	4.7
69.03423	3.0
69.07049	2.0
69.63558	4.3
71.04980	0.6
79.05482	5.5
81.03381	1.6
81.06574	0.9
81.07044	12.5
82.80958	0.5
83.08586	2.5
85.02417	1.0
85.02891	13.5
85.06499	0.5
85.82866	0.6
86.05915	0.5
91.05453	5.1
93.07024	10.9
95.04941	1.1
95.08589	10.4
97.02868	2.9
97.06496	1.0
97.10118	1.4
99.04417	0.8
105.07008	8.5
105.07658	0.8
107.08572	11.0
107.65863	0.5
108.08882	0.6
109.02844	1.7
109.10133	9.5
111.08074	0.7
111.47507	0.5
117.05397	0.6
117.06997	1.9
119.08556	7.0
121.06477	0.6
121.10115	15.8
121.11000	0.9
123.08022	0.8
123.11681	5.9
125.05872	0.9
125.09585	0.7
127.03880	2.6
129.06993	0.6
131.08537	2.5
131.18929	0.5
132.08878	0.5
133.10101	8.1
135.08051	1.0
135.11667	31.9
136.06461	0.5
137.13234	6.0
139.07520	1.9
143.08528	3.3
145.04926	1.5
145.10110	3.5
147.04390	0.7
147.07959	1.0
147.11658	8.5
149.09619	0.8
149.13246	5.0
151.11116	0.8
151.14775	1.0
153.09018	0.9
153.56622	0.5
154.10786	0.6
157.10129	4.0
159.11671	4.4
161.09595	0.9
161.13223	8.6
163.06128	0.7
163.11136	1.5
163.14787	2.2
165.09047	0.9
167.10661	3.4
169.10188	0.8
171.11671	1.6
173.13243	1.5
175.14796	9.0
177.16374	2.6
179.10599	0.8
179.14265	0.9
181.12192	6.4
183.11652	1.4
185.13214	1.3
186.13739	0.7
187.14775	3.9
189.16360	2.0
193.12093	1.2
195.13773	2.3
197.13295	1.2
197.15320	0.5
201.16341	2.3
203.17909	0.6
207.13747	3.4
209.15376	0.6
211.14751	1.4
213.16234	0.8
215.17949	1.8
217.15793	0.8
219.13753	0.6
221.15312	2.5
227.18042	1.1
235.16913	2.3
239.17616	0.6
247.16884	2.4
255.21057	1.4
257.18945	0.8
257.19507	0.9
257.22592	13.4
261.18521	0.9
271.20490	0.9
271.24231	0.6
275.20084	2.4
275.23456	3.0
281.22571	9.3
293.21286	0.6
299.20392	0.7
299.23636	18.3
317.21140	2.6
317.24655	31.6
318.24988	1.1
335.25732	100.0
336.26129	1.9
351.24954	0.7
352.25623	0.8
514.28064	0.7
515.29254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01858	1.2
55.05506	0.8
57.03427	2.9
57.07083	0.4
59.04998	1.1
59.05293	0.4
61.02914	4.9
67.05491	0.9
69.03423	9.3
69.07068	5.2
70.06568	0.4
70.91507	1.2
71.04988	1.3
71.08627	43.9
73.02906	1.9
79.05495	0.7
81.03407	5.4
81.07037	1.1
85.02898	59.5
86.03224	0.7
87.04459	1.8
91.03946	2.7
91.05468	1.0
95.08600	1.1
95.36142	0.4
97.02887	16.0
99.04458	2.8
99.08086	100.0
109.02872	6.9
115.03860	0.5
121.02806	0.8
123.80478	0.5
127.03910	13.9
129.12746	11.9
133.10107	0.7
135.07985	0.6
145.04955	23.0
145.10094	0.6
147.04385	2.3
152.07082	0.8
155.14305	2.4
158.49823	0.4
163.06009	9.8
164.10738	0.6
170.08128	1.0
173.15364	93.4
174.15775	1.0
177.05475	0.8
189.59752	0.5
192.10118	1.0
197.65790	0.4
313.11761	0.7
325.11166	1.1
391.35815	0.5
482.19260	1.3
514.21405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01855	1.8
55.05497	2.3
56.54776	0.8
57.03432	3.5
57.07073	3.7
60.64600	0.7
61.02910	4.9
65.03928	0.9
67.05495	6.3
69.03421	10.5
69.07056	4.7
70.06598	1.1
71.04983	1.7
71.14327	1.6
73.02908	1.9
79.05476	6.4
81.03418	4.4
81.07043	100.0
82.07375	0.9
83.05004	0.9
83.08628	0.7
85.02889	63.6
85.43081	0.8
87.04470	2.2
88.42984	0.7
91.03929	2.8
91.05469	0.9
93.07035	2.2
95.04958	1.2
95.08592	40.1
97.02881	14.7
97.03501	0.9
97.61530	0.7
99.04428	2.9
105.07019	1.1
107.08591	1.4
108.04478	1.0
109.02841	6.4
109.10125	3.8
111.11705	1.5
119.08473	0.7
121.02851	5.4
122.06021	2.3
127.03889	16.5
127.04787	1.1
135.11641	0.9
137.09608	1.0
137.13232	59.4
139.03920	0.8
140.07053	2.7
141.85512	0.7
145.04933	39.3
145.10168	0.7
146.06023	1.4
147.04318	1.0
147.11609	0.7
151.11104	0.8
155.14296	3.6
163.05989	28.2
163.28825	0.7
168.06540	1.1
173.04761	0.7
173.15335	1.7
174.05544	2.0
179.05603	1.2
204.06653	1.0
286.56897	0.7
289.09283	2.8
299.18903	0.9
313.11755	2.1
325.11258	14.1
341.11401	1.3
367.24313	0.7
406.64014	0.8
427.20758	0.7
473.82898	0.7
482.19183	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	514.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50315	1.1
53.03935	4.0
55.01865	3.8
55.05505	5.1
57.03119	1.0
57.03418	4.7
57.07069	53.9
61.02919	4.1
65.94308	1.3
67.05489	11.8
69.03417	9.2
69.07062	8.3
70.06581	1.4
71.04969	2.7
71.62577	1.4
73.02887	1.5
79.05482	7.6
81.03407	57.7
81.07057	9.7
83.04971	4.5
83.08605	15.0
85.02414	2.7
85.02894	31.4
85.06546	12.8
86.09689	3.5
91.03967	1.9
91.05469	8.6
92.05021	1.8
93.07047	7.0
95.04964	17.9
95.08604	12.7
97.02879	11.1
97.06502	2.0
97.10162	1.6
99.04433	2.8
104.10719	5.3
104.58142	1.1
105.07027	10.7
106.06546	11.2
107.04935	4.3
107.08595	3.7
108.08106	14.6
109.02868	5.5
109.06519	2.8
109.10140	7.1
110.07254	1.3
111.04401	2.7
111.08075	5.6
112.07565	1.1
119.04911	2.2
119.08566	6.4
120.08033	1.3
121.06467	1.7
121.10132	3.2
122.06075	1.4
123.04395	2.7
123.06756	1.7
123.08067	1.6
124.07585	10.3
127.03908	10.3
129.06967	6.2
131.08560	4.5
133.06458	2.8
133.10130	4.9
134.06033	7.5
135.08069	1.5
135.11656	1.5
136.07544	3.2
137.09604	11.2
137.13245	4.4
140.07060	10.8
145.02872	1.9
145.04930	8.3
146.06017	2.0
147.04407	6.3
147.07997	3.0
147.11668	5.1
149.09604	3.9
151.11072	1.3
152.07056	26.8
155.14288	100.0
157.10062	7.0
161.09654	2.0
163.03958	1.8
163.06047	4.0
163.11151	2.1
164.10678	9.5
165.09160	6.4
165.12677	1.5
170.08089	12.8
173.06023	1.5
173.15363	47.7
174.05400	1.7
175.11165	9.4
177.05482	3.7
179.10661	1.3
184.07344	1.9
192.10211	9.0
193.12218	45.3
206.08298	1.4
211.13318	4.7
227.13261	1.2
241.09723	1.2
247.10600	1.7
250.10495	1.3
263.10168	2.5
267.15878	31.4
268.09924	1.3
285.16937	58.7
286.17331	1.7
289.08859	1.3
291.09579	1.8
309.16754	6.1
313.11795	10.4
323.12308	7.4
331.13055	2.5
341.11398	2.0
344.61694	1.3
351.17917	2.0
354.46924	1.2
363.18018	2.8
373.13821	12.8
429.21307	4.6
440.17963	1.8
464.18237	1.6
482.19272	11.5
496.21500	10.9
506.86432	1.4
514.22687	38.5
515.22247	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
53.03932	0.6
55.01854	0.2
55.28457	0.2
57.03424	0.4
59.46944	0.2
61.02922	0.4
69.03415	0.7
69.64841	1.6
73.02910	0.4
78.22693	0.2
81.03401	0.6
85.02894	2.6
91.03965	0.2
91.05470	2.9
93.07032	5.0
95.04957	1.1
97.02873	1.3
99.04441	0.3
101.00867	0.4
103.05448	3.4
109.02858	0.3
119.01892	1.0
119.04914	0.4
120.02037	0.4
121.06487	100.0
122.06815	0.8
123.04440	0.2
127.03925	1.0
131.01863	0.3
133.03430	0.2
136.06194	0.3
137.05917	1.1
138.09120	35.9
139.09387	0.3
143.01892	0.8
144.01976	0.6
145.03481	0.2
145.04907	0.5
147.03267	0.3
147.04314	0.9
155.01877	0.4
157.02161	0.2
157.03426	0.4
161.02925	1.3
162.03050	0.8
163.03911	0.7
167.07065	0.2
173.02960	0.6
174.03123	0.2
175.04485	0.3
179.06923	0.3
185.03020	0.4
186.03073	0.3
195.94511	0.2
197.08073	0.5
203.03978	0.4
221.05009	0.9
222.05165	0.3
223.04509	0.2
223.06596	0.5
223.35976	0.2
225.06410	0.2
231.03357	0.2
232.03537	0.3
237.06093	0.2
244.04056	0.3
245.05046	0.9
246.05205	0.4
247.04712	0.4
275.09708	0.2
276.06259	0.2
287.09537	0.3
289.09152	0.3
305.10779	0.5
315.09152	0.2
332.08890	0.3
333.10138	0.4
349.09485	0.3
350.09769	0.9
417.12317	0.3
514.16364	0.9
514.25385	0.3
542.05945	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99631	0.6
53.03926	1.1
53.12384	0.6
55.01842	0.7
55.05484	2.1
57.03409	1.3
57.07049	1.1
65.03912	1.2
67.05492	4.6
69.03426	5.0
69.07051	2.9
71.04979	1.6
71.62634	0.7
79.05483	3.7
79.11168	0.5
81.03393	2.1
81.07044	11.3
83.04956	1.3
83.08630	0.6
85.02900	4.9
85.06530	1.2
91.05472	14.0
93.07035	10.7
94.72087	0.7
95.04937	2.5
95.08589	10.7
97.02877	19.9
97.06499	4.4
99.04434	2.0
105.03382	0.7
105.07008	10.6
107.04945	1.2
107.08574	7.5
108.08884	0.7
109.02856	1.3
109.06502	3.6
109.10145	4.9
111.04374	1.1
111.08068	1.1
115.03899	3.1
117.06976	3.5
119.04927	19.6
119.08572	10.9
120.08889	1.0
121.06488	1.5
121.10116	3.6
123.04391	1.2
123.08042	2.1
123.11678	9.8
125.09594	1.2
126.09129	3.2
127.03877	3.6
128.06192	1.8
129.06975	2.2
131.04941	0.7
131.08575	7.0
133.10115	5.7
134.10445	0.8
135.04346	0.9
135.08051	2.6
135.11676	5.5
137.05952	0.8
137.09665	1.7
137.13188	1.6
139.07506	1.0
141.06943	0.7
142.07744	1.1
143.08549	6.4
145.02875	0.7
145.04938	1.3
145.06429	0.9
145.10110	10.4
147.04387	100.0
147.08022	2.2
147.11664	7.6
148.04689	0.8
149.09651	1.5
149.13228	2.6
151.11153	2.5
153.12717	0.8
155.08508	1.4
156.09348	1.2
157.10092	5.5
158.10524	0.7
159.08049	1.3
159.11711	3.5
159.22421	0.7
161.09575	3.5
161.13268	2.2
163.03883	1.8
163.11134	2.1
163.14780	2.2
165.05417	0.8
165.09085	1.1
169.04953	1.7
170.10855	0.9
171.11560	1.1
173.13232	17.4
173.14667	1.2
175.11218	0.9
175.14783	4.8
177.09076	1.1
185.13217	9.9
187.14818	0.8
189.12773	1.3
191.14268	4.9
191.35788	0.7
201.12769	1.3
203.14284	20.3
213.12924	0.9
215.06953	0.9
221.15282	5.6
230.98068	0.7
241.06876	0.7
259.09781	4.6
299.19998	1.9
309.09714	1.9
316.46851	0.8
317.21088	1.9
365.19748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	0.5
69.03431	0.6
69.44260	2.1
69.44675	0.6
77.07832	0.3
81.03398	0.9
81.07021	0.4
85.02888	1.1
89.34597	0.3
91.05469	3.2
93.07014	0.9
93.21874	0.3
95.04955	0.3
95.08604	0.4
97.02878	0.7
105.03378	0.3
107.08582	0.8
109.02788	0.3
109.10115	0.6
119.04087	0.5
119.04925	7.7
120.05199	0.3
121.02850	1.2
121.91370	0.3
123.04466	0.3
125.05969	0.3
127.03915	0.3
132.04436	0.6
135.11646	0.6
137.09604	0.9
139.03854	0.4
145.04922	0.3
147.04385	40.3
148.04730	1.2
150.05482	0.6
151.03880	1.5
160.03923	0.6
164.27411	0.3
165.09084	0.8
166.98175	0.3
167.07025	0.4
169.04916	0.6
178.04964	81.0
179.05276	1.0
201.11252	0.3
206.04449	100.0
207.04790	1.5
213.96443	0.3
220.26363	0.3
240.57985	0.3
291.08545	0.8
309.09714	0.5
368.09717	22.1
409.93671	0.3
476.12415	0.2
503.83786	0.2
514.13330	8.6
514.20831	0.3
515.13629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.05497	0.9
57.03429	1.4
57.07061	1.1
65.03924	2.1
67.05490	8.5
69.03417	3.2
69.07058	0.7
70.06570	0.9
71.04989	1.1
71.61852	0.9
79.05479	5.5
80.05007	0.9
81.03401	4.8
81.05786	1.4
81.07043	6.0
83.04973	0.8
85.02893	4.0
85.06539	0.9
86.09666	1.0
91.05457	2.0
92.04992	4.1
93.05768	1.0
93.07033	2.0
94.06532	0.7
95.04943	3.0
95.08609	4.2
96.08108	4.5
97.02882	2.1
99.04469	0.9
104.10750	0.8
105.07016	1.2
106.06534	33.9
107.04968	0.8
107.08588	1.9
108.04436	0.7
108.08098	37.8
109.02891	2.7
109.05255	0.8
109.06502	1.2
109.10130	14.5
110.10475	0.8
115.31721	0.6
119.04921	2.7
119.08554	1.1
121.06495	0.8
121.10139	0.8
122.05992	0.6
123.06786	4.2
123.08086	0.6
124.07565	23.6
127.03900	2.0
134.05986	20.2
135.08028	0.7
136.07553	10.7
137.05977	1.4
137.09596	25.7
138.10001	1.1
146.06012	0.7
147.04381	12.6
147.08055	0.6
150.05510	0.8
151.03862	1.4
152.07039	69.7
155.10637	1.1
155.14264	3.9
161.09567	0.7
163.03812	0.9
164.07133	0.7
165.05476	0.7
165.09079	12.6
166.09433	1.0
169.12291	0.7
170.08093	34.6
171.08461	0.8
173.15353	2.0
177.05412	2.8
178.04924	4.6
183.10207	0.8
188.07018	1.1
201.11249	0.8
206.04439	7.2
206.08098	1.1
214.12073	0.6
271.09528	1.0
279.46320	0.6
296.11252	0.9
309.13290	1.2
310.13733	0.7
311.13846	1.7
314.12247	0.9
327.14212	1.6
332.13327	0.8
334.16409	0.9
478.20721	1.4
496.21741	16.2
514.22772	100.0
515.22186	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67365	1.8
53.03929	3.4
55.01861	3.2
55.05506	11.8
57.03426	8.3
57.07050	2.5
61.02919	16.0
65.03940	1.8
67.05499	34.6
69.03410	6.0
69.07063	13.3
71.01347	2.3
71.04996	2.5
73.02908	4.9
74.29503	1.6
79.05489	36.6
81.00331	1.7
81.03415	7.3
81.07047	34.6
83.04977	6.8
83.08611	6.1
85.02885	11.5
85.06525	2.4
91.03970	5.8
91.05470	40.2
93.07030	46.2
95.04954	9.1
95.08591	26.8
97.02878	6.6
97.06547	4.4
97.10146	3.1
98.20684	4.6
99.08072	2.3
105.07016	41.2
107.08570	29.6
109.06497	5.5
109.10130	16.6
110.80530	2.2
111.08068	4.6
111.11760	1.9
117.06997	11.3
119.08569	37.9
120.36450	1.8
121.06480	3.8
121.10136	25.4
123.08081	3.1
123.11649	2.5
125.09608	4.1
126.51741	1.9
127.03891	2.3
127.07663	2.2
128.06190	2.8
128.99722	1.8
129.05486	2.2
129.06985	11.8
131.08548	24.0
133.10104	35.6
135.08041	2.7
135.11678	20.9
139.11095	1.9
141.06970	2.5
143.08568	14.6
145.10115	21.7
147.08057	3.6
147.11676	29.7
149.13231	13.2
153.01860	2.3
155.08542	3.9
157.10120	9.6
159.08099	2.6
159.11667	19.0
160.53572	2.1
161.09630	4.0
161.13237	24.7
163.11258	3.2
163.14801	3.7
165.12805	2.3
169.10115	2.6
171.11658	12.2
173.09651	3.3
173.11964	2.5
173.13196	11.4
175.14832	13.2
177.12741	4.1
183.11659	4.0
184.07301	2.5
185.09644	2.9
185.13281	11.1
187.11215	2.9
187.14838	5.7
189.12775	4.0
195.11748	3.3
197.13277	3.4
199.14839	7.0
201.16443	2.0
203.14211	4.0
209.13335	2.5
211.14766	2.3
213.16411	3.0
217.19629	2.8
223.14856	2.7
231.21118	5.8
241.19504	19.7
257.18753	2.1
259.20547	60.9
269.17450	3.0
275.19992	3.5
276.20551	2.6
277.21329	2.2
319.54770	2.2
333.24557	3.0
349.23752	4.7
351.25247	100.0
352.25565	2.2
363.25320	3.0
375.25323	2.5
385.23849	2.9
423.26974	4.2
429.26141	5.2
441.25955	4.8
459.27176	5.7
467.27451	2.8
477.28455	4.2
495.29047	8.3
513.29370	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	513.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41438	3.1
53.44617	2.2
54.54057	2.3
55.05297	2.3
55.05503	25.7
57.07071	21.2
65.03930	4.2
67.05493	51.5
69.07057	77.1
71.04967	3.7
71.08619	14.4
71.63162	4.4
79.05475	37.4
81.03407	4.0
81.07044	77.1
83.08602	31.3
83.52746	2.4
83.65287	2.7
85.10159	6.9
91.05465	37.4
93.07027	57.8
95.04955	7.5
95.08588	100.0
97.06474	4.7
97.10146	12.3
105.07010	51.9
107.08573	84.6
109.06510	5.1
109.10139	94.3
111.08029	2.8
111.11707	11.4
115.05441	2.7
117.06992	20.2
119.08565	38.3
121.06468	3.4
121.09294	5.5
121.10117	59.3
122.48981	2.9
123.08006	6.3
123.11678	35.8
124.27020	2.2
125.09595	2.6
125.13249	5.3
127.92036	2.4
128.06213	10.2
129.06966	22.2
130.07744	5.4
131.08549	44.7
133.10100	42.7
135.11661	39.5
137.13216	22.2
137.14122	3.1
141.06961	12.0
142.07748	12.5
143.08528	50.8
143.09538	4.6
144.09312	4.3
145.10097	45.1
147.08006	4.4
147.11699	21.0
147.96541	2.6
149.09639	6.0
149.13245	27.1
150.07686	2.8
151.11143	2.8
151.14841	3.5
153.06905	3.6
154.07771	6.7
155.08516	39.9
156.09250	7.2
157.10103	41.5
159.08046	3.0
159.11679	30.4
161.09604	7.9
161.13162	14.2
162.09825	3.2
163.11127	3.8
163.14799	45.0
165.07014	3.8
167.08546	10.5
168.09326	4.9
169.10085	32.1
170.10764	3.2
171.11668	47.5
173.09540	3.9
173.13174	15.3
175.11111	4.8
175.14804	7.1
177.09181	2.8
177.16423	7.8
179.08537	5.4
181.10107	13.7
182.10883	3.2
183.11668	25.0
184.01215	2.5
185.09659	2.8
185.13226	18.8
187.11098	5.0
187.14816	8.3
189.12666	4.5
189.16388	5.1
191.10553	2.9
193.10129	6.8
193.19444	3.8
195.10152	3.0
195.11624	16.1
197.09546	3.5
197.13164	20.7
199.14796	10.2
201.09149	5.7
201.16333	5.5
203.10657	3.5
205.12157	3.2
205.19432	8.2
207.11662	5.4
207.20981	3.4
209.13246	14.7
211.14870	14.6
213.16370	7.2
215.10622	11.9
215.14246	2.7
217.12219	13.0
217.19511	10.0
219.21040	39.2
221.13333	5.6
223.14769	11.9
225.16341	5.3
227.10632	4.1
229.12267	12.6
229.19305	3.3
231.13647	4.6
231.21089	10.8
233.11636	5.2
235.14876	6.2
237.16374	6.2
241.12253	3.0
241.15930	3.8
243.13716	7.3
245.22618	6.6
247.13165	3.9
249.16537	3.9
251.18045	5.2
253.19516	4.6
255.13783	6.8
257.15295	5.5
261.14807	3.9
263.17990	7.3
265.19608	4.4
273.14746	4.2
275.16272	5.3
279.20969	4.0
287.16473	3.6
297.18433	6.8
305.18756	3.0
309.18494	10.4
311.20053	5.8
323.20047	5.3
325.21555	8.3
327.19440	15.4
329.21057	3.4
343.22662	5.2
353.24728	3.3
371.25735	5.7
379.26535	3.8
389.31934	3.8
391.33731	6.4
407.33023	9.1
421.30978	6.3
435.32581	46.7
439.31915	7.0
453.33585	61.7
453.70880	2.8
477.33624	2.7
495.34540	6.6
513.35815	76.8
513.50519	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	513.3051
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.91850	1.1
53.03928	2.2
55.01859	2.6
55.05502	6.9
57.03424	4.8
61.02926	11.4
67.05498	23.7
69.03408	4.1
69.07062	7.8
69.95493	3.9
69.95900	3.3
71.04974	3.0
73.02901	4.9
76.61557	1.2
79.05484	25.6
81.03374	2.6
81.07054	25.7
83.04984	1.8
83.08615	4.0
85.02892	9.2
85.06528	2.2
91.03944	4.9
91.05470	23.6
93.07035	40.2
95.04963	2.5
95.08601	19.8
97.02882	7.7
97.06509	2.0
97.10148	1.4
98.20670	1.6
99.08078	1.5
105.07022	28.2
107.08585	24.1
109.06524	2.9
109.10156	7.5
117.07001	6.3
119.08559	27.8
121.10122	21.5
123.04389	1.4
123.08036	2.2
123.11698	2.7
125.09595	1.7
127.03905	1.5
129.06978	5.1
131.08568	15.0
133.10106	22.0
135.08057	2.0
135.11674	20.9
141.07005	1.4
142.07791	2.1
143.08517	8.3
145.10104	14.1
147.11671	21.3
149.09604	2.0
149.13264	13.2
151.11198	2.2
157.10149	8.6
159.11665	11.3
161.13245	18.3
163.11198	1.7
163.14789	4.2
169.10170	2.7
171.11688	8.3
173.13243	7.5
175.11148	2.3
175.14818	9.6
177.12723	2.9
183.11697	2.9
185.13319	8.3
187.14749	3.2
189.16382	2.0
193.09923	1.9
199.14835	5.5
213.16460	2.5
217.19478	2.1
225.16402	1.4
231.21074	3.6
241.19525	17.2
259.20560	42.7
271.20547	2.0
277.21692	7.1
283.20340	1.4
312.82867	1.4
333.24249	8.0
349.23761	2.9
351.25250	100.0
352.25546	2.2
361.23792	1.8
363.25204	2.9
367.22482	1.7
375.24997	2.9
417.26047	1.8
429.26578	2.2
441.26407	5.9
459.27264	3.7
477.28580	3.5
495.28796	5.5
511.06836	1.3
513.20239	1.3
513.28613	5.8
520.24939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	0.1
53.28090	0.1
55.01855	0.2
55.05493	0.2
57.03423	0.3
57.04543	0.6
61.02903	0.5
67.05498	0.3
69.03412	0.8
69.07048	0.3
70.03848	0.4
70.04275	0.3
79.05480	0.5
79.36033	0.1
81.03403	0.5
81.07034	0.5
83.04957	0.2
85.02416	0.2
85.02893	3.3
86.03225	0.6
91.03911	0.2
91.05457	0.7
92.05763	0.2
93.07027	2.1
94.04034	1.5
94.07358	0.8
95.04924	0.2
95.08568	0.6
96.05606	0.1
96.08888	0.2
97.02864	0.7
97.06535	0.1
98.03185	0.1
99.04459	0.2
105.07011	0.3
107.08574	2.6
108.04311	0.1
108.08910	1.3
109.02840	0.3
109.10130	0.5
110.03188	0.1
111.04436	0.2
112.05067	0.2
119.03553	0.2
119.04936	0.3
121.02851	0.2
121.05054	0.2
121.10111	0.2
123.06647	1.0
124.12711	0.1
127.03873	0.9
128.04268	0.3
129.72430	0.1
133.05067	0.4
133.10123	0.2
135.05382	0.3
135.11661	2.0
136.11995	1.3
137.09541	0.1
145.04953	1.6
146.05312	0.4
147.04401	1.8
148.06131	0.3
150.07724	100.0
151.07985	0.6
153.12732	0.4
154.13083	0.3
163.06024	0.6
165.09102	0.2
167.06987	0.2
176.05640	0.3
178.04982	0.5
194.91579	0.1
206.04471	0.5
231.09914	0.3
277.10336	0.2
282.11865	0.7
295.11450	0.2
381.11472	21.7
382.11713	0.4
407.50412	0.2
513.14429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2072
Annotation	Talmapimod
Peak:m/z	Relative Intensity
53.03928	0.4
55.83626	0.3
69.03418	2.0
69.07063	0.3
70.06567	0.4
70.57732	0.3
71.04961	0.3
71.62419	0.5
73.02901	0.5
79.05460	0.4
81.03404	0.7
81.07027	0.5
85.02890	2.4
86.09672	0.5
93.07043	0.3
95.04959	0.5
95.08593	0.5
97.02881	1.0
97.06532	0.4
98.98425	0.4
99.04398	0.5
109.02833	0.6
113.05984	0.3
119.04908	0.5
127.03912	0.4
135.11716	0.4
137.06032	0.5
145.04974	0.5
147.04372	2.4
148.89574	0.3
149.32129	0.5
150.07721	14.6
151.03902	0.6
151.08058	0.4
161.43445	0.3
171.13779	0.5
181.03413	0.4
187.08600	0.4
187.12297	0.3
189.10181	1.4
199.08539	2.6
200.09370	4.8
201.10208	7.6
202.10887	1.6
203.11827	0.5
206.04488	0.5
213.10207	3.2
214.10957	7.3
214.13025	0.4
215.08263	1.3
215.11755	22.7
216.12450	2.9
217.13330	0.4
219.11249	1.6
225.10071	0.4
226.11014	1.2
227.11794	0.5
228.09059	0.9
228.12517	3.0
229.13438	0.6
230.14116	1.0
231.11296	0.8
241.09662	1.8
241.13332	1.6
242.10446	16.3
242.14146	0.6
243.11198	4.6
247.10828	0.4
254.10500	1.3
255.11343	1.2
256.12009	6.0
259.10681	1.7
260.11514	14.0
261.12308	4.4
269.12833	2.8
270.13599	0.9
271.14313	0.7
272.11563	0.8
274.13083	2.8
277.11856	0.5
282.09995	1.1
287.14001	2.3
288.14590	1.7
289.15485	1.2
297.12308	2.8
300.11041	3.7
302.10001	0.5
306.02307	0.4
315.13327	17.1
316.13785	0.8
333.14371	37.1
334.14801	1.0
351.11169	0.5
351.15466	9.8
352.15811	0.5
381.11734	3.2
381.16333	0.7
442.91006	0.4
495.19736	1.0
513.20789	100.0
514.21106	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	512.3729
Annotation	Daphmacrine
Peak:m/z	Relative Intensity
55.05495	2.8
57.07068	4.4
58.06597	2.0
60.04518	8.9
65.03927	0.4
67.05496	5.0
69.07058	8.9
70.06573	1.2
71.08617	2.4
71.62817	0.6
72.08137	0.8
73.51413	0.3
79.05476	3.6
79.41150	0.3
81.07046	12.7
83.08610	2.2
84.08103	0.4
85.04565	0.4
85.10158	1.1
88.07626	1.8
89.06004	5.5
91.05455	1.3
93.07033	4.1
95.04955	0.4
95.08589	13.5
97.06487	0.4
97.10142	1.1
98.09673	0.5
102.09166	1.1
105.07012	4.5
107.08580	4.9
109.10134	11.0
111.11726	1.1
115.05387	0.5
117.07000	0.8
119.08556	2.8
121.10121	4.5
123.08020	0.4
123.11689	4.1
123.36485	0.4
128.06175	0.3
129.06990	1.4
131.08546	2.9
133.08572	4.1
133.10091	1.6
135.11671	2.4
137.13222	2.2
141.06973	0.9
142.07799	0.6
143.08546	5.1
145.10075	3.0
147.11676	1.9
149.05925	0.4
149.13245	1.5
151.14760	0.5
154.07761	0.5
155.08531	3.4
156.09280	0.5
157.10091	4.7
159.11661	2.5
161.09593	0.3
161.13269	1.3
163.14812	2.7
169.10083	3.5
171.08087	0.4
171.11642	3.6
173.13243	1.4
175.11165	0.5
175.14825	0.8
177.11217	1.1
177.16313	0.5
181.10112	1.3
182.10983	0.4
183.11678	1.9
185.13266	1.5
187.11195	1.3
187.14813	1.2
189.10846	0.4
189.16353	0.5
195.11729	1.0
197.09615	0.7
197.13210	2.4
199.14824	1.1
201.16415	0.7
203.10643	0.6
203.17970	0.5
209.13223	1.1
211.14815	1.6
213.16306	0.9
215.10641	1.5
217.12288	0.7
219.21083	0.7
223.14790	0.8
225.16315	0.7
228.23018	0.4
229.12144	0.5
231.13702	0.5
239.14493	0.6
243.13962	0.8
251.17821	0.5
256.26337	5.2
257.15268	0.7
265.19568	0.4
269.15363	0.8
283.17184	0.7
283.26242	5.6
283.29309	0.5
285.18533	0.6
287.16617	0.5
304.14969	0.5
325.21741	0.4
327.19986	4.0
353.24713	0.7
361.78387	0.3
377.99832	0.4
435.32550	0.6
453.33554	1.1
470.36227	8.1
512.37286	100.0
512.50208	11.0
513.36804	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	513.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63571	0.4
53.03936	0.9
55.05526	0.5
57.03192	0.8
57.03414	3.0
58.99892	0.5
60.04577	0.5
60.04947	0.5
61.02908	4.3
69.03418	11.4
69.36519	3.5
69.36941	1.4
70.03790	0.7
70.06599	1.0
71.05009	1.7
72.08137	0.6
73.02917	2.3
77.00922	0.6
81.03397	3.5
82.99877	0.9
83.01347	0.7
83.04990	0.6
84.04459	0.4
84.08148	1.2
85.02889	21.7
86.03264	1.4
87.04481	2.0
91.03957	1.4
91.05505	0.5
94.99892	0.8
97.02871	13.0
98.03223	0.6
98.97630	1.7
99.04470	2.2
101.00867	3.2
101.06024	0.6
103.00680	0.8
103.02451	2.6
104.07178	0.5
109.02847	2.9
110.03976	0.6
113.00882	1.6
115.02406	4.0
115.03955	0.6
116.98596	0.7
117.02193	0.5
119.01904	13.0
120.02020	1.1
120.54227	0.5
121.01640	2.4
121.03516	1.5
121.06553	0.7
123.04581	0.5
123.05500	0.8
127.02414	1.5
127.03899	7.5
127.04765	0.5
128.04262	0.5
129.02139	0.9
129.03189	0.5
129.03941	2.8
130.08617	0.8
131.01884	9.5
131.02774	0.5
131.52011	0.7
133.01704	2.1
133.03444	20.4
133.05072	0.9
134.03618	0.7
135.03215	0.9
136.06177	1.0
137.01974	1.2
137.02989	2.0
137.04553	8.1
137.05611	0.6
137.06004	0.5
138.01689	0.5
138.05522	0.7
139.02515	1.3
141.04001	2.0
143.01880	8.1
143.05515	0.7
145.01649	1.1
145.03490	10.6
145.04974	6.3
146.03563	0.6
147.01414	0.7
147.03218	1.9
147.05026	8.2
148.05200	0.6
148.06549	1.5
149.02974	1.7
150.02776	0.6
151.04474	4.3
151.06380	1.1
151.53497	0.6
152.02393	1.0
153.04143	1.0
153.05803	0.6
154.03970	0.6
155.01878	10.9
156.02829	0.7
157.01555	1.1
157.02092	0.5
157.03448	11.5
159.03253	1.9
159.05019	11.7
161.02930	13.1
161.05557	1.3
161.06651	1.4
161.55606	0.9
162.02962	0.9
163.02611	2.6
163.04678	2.3
163.06168	0.9
164.54086	0.7
165.06064	2.8
166.04030	1.2
167.01865	1.2
167.05705	0.8
167.06993	2.9
169.03380	2.7
169.53641	0.6
170.06070	1.0
170.99701	0.6
171.01369	0.8
171.03471	1.2
171.05000	11.7
173.02927	14.1
173.04634	0.6
173.06673	2.0
175.02823	2.3
175.04561	8.0
175.06380	2.3
177.00769	0.6
177.04384	0.9
177.06091	8.9
179.01904	2.1
180.03638	0.8
181.03435	0.9
181.54773	0.6
182.03566	0.6
183.03464	0.8
183.05006	7.5
184.04483	0.7
185.02916	7.3
185.04649	0.5
185.04990	0.6
185.06541	4.4
186.03169	0.6
187.02774	1.4
187.04546	4.6
187.06258	1.0
189.00977	0.5
189.02579	1.0
189.04384	1.2
189.06113	6.0
190.05023	0.7
191.02310	0.6
191.04019	0.8
191.05788	0.8
192.04620	0.5
192.54752	0.5
193.03517	1.3
194.03487	0.5
195.05331	0.6
195.07103	7.8
196.04683	0.5
197.02875	7.1
197.06561	2.4
198.03317	0.5
199.04544	3.9
199.06322	0.7
200.07690	0.7
201.02534	1.0
201.04291	3.2
201.06097	6.5
201.07870	0.4
202.05063	1.4
203.02225	0.5
203.03899	7.8
203.07695	2.2
204.04710	2.1
205.03751	1.9
205.05576	1.9
205.07448	3.1
207.05043	1.4
210.04817	2.0
211.04437	4.4
213.04306	0.6
213.06029	2.3
215.03983	1.7
215.07655	2.6
216.07840	1.1
217.05547	1.9
217.07533	2.3
218.06375	1.5
219.01758	1.3
219.07104	30.9
220.07323	1.6
221.01820	0.8
221.05025	19.1
222.05261	2.0
223.04750	3.2
223.06833	2.5
224.04408	0.6
225.06061	3.0
225.57445	0.6
226.05779	0.5
227.04025	1.3
227.09140	1.6
229.05609	1.2
229.09172	2.4
231.03816	2.2
231.05313	1.3
231.07108	27.5
231.55386	0.6
232.07434	1.2
233.06654	0.6
233.08679	7.5
234.08656	0.8
237.02774	1.8
237.06165	0.8
240.05908	0.7
241.05598	1.3
241.07651	1.5
242.08011	0.8
243.03543	0.6
243.07124	1.3
244.04114	0.5
245.05022	27.5
245.08633	5.5
245.47168	0.5
246.05394	1.4
247.04851	2.8
247.07076	2.6
249.02608	0.6
249.06410	0.9
250.07910	0.9
251.08717	1.5
255.07135	10.3
257.05096	1.2
259.06754	8.3
261.06345	3.6
261.08307	3.7
261.56451	1.3
262.07324	0.7
263.05966	2.6
265.07761	2.4
267.07379	0.6
271.06509	1.0
273.02719	0.5
273.08179	8.4
274.09744	3.5
274.59744	1.5
275.06027	1.0
275.09772	1.2
277.07605	1.5
279.09445	0.8
283.07532	0.8
283.58249	0.6
284.06644	0.5
285.07953	1.1
286.07651	0.5
289.07565	3.9
291.05872	1.0
291.09210	5.4
293.07352	0.9
293.10843	1.5
300.10373	0.7
301.07578	1.0
303.09122	1.9
305.07062	1.8
305.10794	4.2
306.11044	1.6
307.11023	9.9
309.10498	2.4
310.11743	5.0
310.61899	1.3
317.07013	0.6
319.08633	4.0
320.09027	1.9
321.10266	100.0
322.10474	7.1
323.09930	2.9
324.11569	0.6
325.07745	0.6
325.11728	2.5
333.06528	1.5
333.10275	1.3
334.07449	0.6
335.08075	0.6
337.09839	4.1
339.11411	10.4
340.11545	0.8
341.11090	1.6
342.09256	1.6
342.58844	1.0
343.09555	0.5
349.09729	0.9
351.07620	3.1
351.11465	0.9
352.11563	0.5
356.58627	0.7
362.12939	0.5
364.59656	0.5
365.09235	2.7
365.59283	0.8
366.09467	2.7
367.10785	4.9
369.10852	0.8
384.09772	0.6
385.09393	0.7
409.11884	2.3
432.74768	0.6
451.12979	0.8
453.13028	2.0
477.10660	5.6
495.11630	22.5
496.12424	1.0
513.12750	71.9
514.13037	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.1
57.03419	0.7
61.02906	1.1
67.05495	4.8
69.00018	0.6
69.03419	1.8
69.07038	1.0
70.12355	3.6
72.64037	0.6
79.05477	3.5
81.06570	1.2
81.07042	20.0
83.04952	1.6
85.02897	4.2
85.06512	1.1
91.05463	10.9
93.07025	8.1
94.58292	0.6
95.04939	1.1
95.08592	5.9
97.02860	1.4
97.06503	1.1
105.07016	17.5
107.08573	7.3
109.06513	0.9
109.10130	3.9
111.08044	1.0
117.06986	4.9
119.04911	0.9
119.08542	6.7
121.10100	5.4
123.08072	1.2
123.11712	1.4
127.03893	1.4
129.06998	1.3
131.08537	11.7
133.10106	82.5
134.10432	1.2
135.08043	3.4
135.11668	9.4
137.09576	2.4
141.06981	0.9
143.08510	4.3
145.02702	0.7
145.10098	10.3
147.04369	3.8
147.11644	6.7
148.98631	0.7
149.09550	0.8
149.13264	2.7
151.11130	3.0
153.12640	0.9
155.08516	4.9
157.10100	7.3
159.11655	13.1
159.12852	1.2
161.13258	3.7
163.03862	4.1
163.11128	9.5
165.12682	0.8
169.10130	1.6
171.11658	4.1
173.13240	3.0
175.11201	1.3
175.14833	1.0
177.12694	5.7
179.14249	0.8
181.10088	1.6
183.11673	3.6
185.13239	3.0
187.11140	1.5
187.14778	1.6
189.12740	0.8
197.13271	1.8
199.14799	1.7
201.12746	1.8
203.14384	0.8
209.13187	2.6
211.14737	2.1
213.16330	9.7
223.14754	1.8
225.16339	6.6
229.15808	1.8
231.17438	1.8
239.17935	0.9
255.17377	1.5
255.21281	0.7
269.22516	1.0
279.21005	11.2
297.22076	100.0
298.22479	3.2
315.23126	19.8
333.24155	32.3
334.24567	1.2
348.23392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01862	2.6
55.05489	1.7
57.03431	5.3
57.07069	1.1
59.04985	0.8
61.02921	7.8
67.05487	3.1
67.41382	0.6
69.03424	16.3
69.07057	8.8
70.27170	3.2
71.04982	2.8
73.02908	3.6
79.05492	3.0
81.03410	7.9
81.07045	6.7
83.01324	1.0
83.04990	1.9
83.08604	2.0
85.02896	100.0
87.04459	2.0
91.03934	4.3
91.05458	3.0
93.07034	7.0
94.07391	0.9
95.04958	1.4
95.08582	5.4
97.02881	27.0
97.06531	2.1
98.06037	0.7
99.04442	4.7
103.03958	1.1
105.07030	2.9
107.04943	2.0
107.08585	4.1
108.08949	0.7
109.02866	8.7
109.06490	0.9
109.10149	3.7
111.08079	0.9
111.11712	6.3
115.03957	1.3
118.07368	0.8
119.04929	1.7
119.08548	2.0
121.02854	0.9
121.06522	0.7
121.10149	2.2
122.10503	0.8
123.04373	1.0
124.07607	0.9
125.11618	0.7
125.13268	1.4
126.05507	1.2
127.03903	27.9
131.08597	1.1
133.06473	1.8
133.10100	1.6
135.04401	1.1
135.11662	5.1
137.09747	0.8
144.06567	4.6
145.02965	2.2
145.04945	49.6
145.10123	0.8
147.04388	11.7
147.11766	0.8
153.05406	0.9
153.12730	20.5
157.10100	1.0
162.07648	2.2
163.03909	11.6
163.06001	18.6
163.11203	1.0
165.62389	0.7
171.13794	33.4
173.51736	0.7
177.05469	2.1
180.08786	1.8
183.17427	1.2
211.13187	1.3
279.96320	0.7
284.15826	0.8
309.09583	0.8
312.88339	0.7
324.12845	0.7
325.11465	1.0
436.35657	0.8
494.27057	0.9
512.29370	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	511.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01849	3.6
55.05502	23.5
57.03429	21.5
57.07077	5.8
59.52296	2.6
65.03909	4.0
67.05495	100.0
69.03425	13.3
69.07066	24.3
69.52673	22.8
71.01341	29.9
71.04960	6.3
73.02905	27.1
75.02596	2.5
75.04484	5.1
79.05482	57.8
81.03408	4.7
81.07044	96.4
83.01320	3.8
83.04951	7.7
83.08595	14.2
85.02892	49.9
85.06509	4.9
91.05461	45.1
93.07032	75.0
95.01314	9.2
95.04938	8.7
95.08597	79.3
97.02878	15.7
97.06496	8.3
97.10191	4.4
98.21446	4.1
99.00800	5.9
99.04427	5.0
99.08095	3.9
101.02357	7.3
103.03924	9.7
105.06365	4.2
105.07011	41.4
107.05032	2.7
107.08583	46.5
109.06508	6.3
109.10134	42.4
111.08067	5.7
113.02357	17.0
117.07005	14.5
119.08556	30.9
121.10138	37.7
123.08076	4.1
123.11722	20.7
125.09616	3.5
129.05493	3.2
129.06995	5.5
131.03368	14.5
131.08554	30.0
133.06464	2.7
133.10083	22.6
135.11679	30.9
137.09630	3.4
137.13232	6.4
139.11171	4.3
141.01811	23.9
143.08530	7.3
145.10083	20.3
147.11687	18.2
149.09540	4.7
149.13280	15.8
151.11197	3.7
157.10086	6.5
159.02914	7.0
159.06505	4.6
159.11662	18.1
161.13228	17.4
163.14790	6.6
165.12755	3.6
169.04980	5.9
169.10039	3.7
171.06519	3.8
171.11673	5.9
173.13246	19.0
175.14835	6.0
177.12578	3.0
185.13235	3.4
187.05968	4.1
187.14761	7.4
197.13222	4.0
205.15863	2.8
215.05521	7.3
241.19492	3.8
243.21059	10.5
261.22095	41.8
267.15826	2.7
276.97064	3.4
277.21790	2.6
285.22122	4.1
295.72562	3.0
303.23099	5.3
317.24579	2.9
335.25739	45.3
401.23206	2.9
457.25452	2.9
493.27637	9.8
511.28540	41.8
511.35876	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	511.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.05494	2.9
57.03411	4.4
61.02916	1.5
67.05499	2.8
69.03417	21.8
69.07050	1.4
69.80566	7.9
71.04980	2.9
73.02917	1.8
75.04451	5.1
79.05480	20.5
81.02994	1.5
81.03404	7.9
81.07033	6.1
83.04958	5.7
85.02901	11.1
87.04460	2.5
91.03956	1.1
91.05466	12.7
93.07028	88.0
93.28181	1.2
95.04952	4.3
95.08583	4.9
97.02871	5.4
99.04429	4.9
103.03928	2.0
105.07023	8.9
107.08572	24.2
109.02877	4.1
109.06516	1.2
109.10129	1.8
111.04424	4.5
111.08033	3.8
117.06985	1.5
119.08538	10.1
121.06473	2.4
121.10125	100.0
122.10430	1.9
123.04400	1.3
123.08079	1.6
123.11664	1.6
125.09577	1.5
127.03899	5.0
129.05475	7.3
131.08559	6.3
133.10101	2.7
135.07980	1.4
137.09630	1.8
139.11151	7.1
143.74435	1.3
145.04883	3.5
145.10107	1.8
146.41898	1.4
146.71756	1.2
147.04434	2.5
147.06471	3.1
149.09593	40.3
153.12717	1.4
165.07590	4.3
167.10646	26.4
177.05605	1.3
183.08646	10.9
191.10638	1.7
212.38438	1.4
233.15598	1.3
255.35181	1.2
264.10876	1.4
275.12683	2.0
293.13651	8.9
311.14862	35.4
318.36789	1.4
450.47372	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.0
55.01861	41.3
55.05499	55.9
57.03428	24.6
57.07067	13.9
59.04978	3.7
65.03911	4.7
66.04712	2.1
67.05492	72.3
69.03417	19.2
69.07059	27.5
69.50704	7.4
69.51131	9.7
70.04225	1.9
71.04984	9.8
73.02905	5.7
79.05481	77.5
79.05952	3.8
80.06250	1.9
81.03405	88.4
81.06567	4.2
81.07042	77.9
82.03768	2.0
82.04182	10.0
83.04960	42.4
83.08607	40.2
85.02890	42.7
85.06516	7.8
86.57951	1.8
87.04478	2.8
91.05465	71.9
93.07028	47.5
94.07813	3.5
95.04953	57.3
95.08592	32.8
97.02885	13.1
97.06502	19.7
97.09713	1.7
97.10164	20.0
98.07290	9.0
99.04437	5.6
99.08047	4.7
105.04506	2.1
105.07013	53.6
107.04937	20.5
107.08566	36.6
108.09340	2.0
109.02863	2.9
109.06490	14.3
109.10123	30.7
111.04406	10.9
111.08064	23.2
113.06004	3.9
114.97344	2.1
115.05437	3.4
116.04676	2.3
117.05434	2.2
117.06988	10.3
119.04885	3.3
119.08556	46.1
121.06487	8.1
121.10133	22.8
123.04436	6.4
123.08055	15.7
123.11661	6.3
125.05989	4.8
125.09622	22.8
127.11172	6.4
128.06265	2.2
129.05464	6.0
129.06955	21.4
131.04875	2.2
131.08543	29.0
133.06476	6.3
133.10106	27.5
135.07970	9.8
135.11632	11.5
136.08862	2.2
137.05945	2.8
137.09604	9.4
137.13228	2.7
139.03790	2.5
139.07513	2.9
139.11160	3.9
142.07759	6.5
142.43544	2.0
143.08456	2.3
145.10117	15.8
147.04388	4.3
147.08034	7.9
147.11653	31.5
149.09598	10.6
149.13225	3.5
151.03935	3.9
151.07585	2.7
153.01814	4.9
153.09081	3.3
157.10106	25.9
158.05730	10.3
159.11693	5.3
161.09575	2.8
163.11162	11.9
164.11938	3.2
165.12747	9.2
167.07065	2.8
169.10100	2.9
171.06465	14.7
171.11609	3.1
171.54277	2.3
173.09564	4.3
173.11801	3.9
173.13269	4.1
175.11151	26.3
177.05424	2.6
181.12225	3.3
183.13765	2.7
185.08057	4.3
187.11169	2.5
189.11211	5.6
191.10567	5.4
192.11479	2.1
193.12213	82.8
195.10339	2.2
199.09584	5.4
199.13301	11.1
201.14755	3.0
209.11674	12.4
210.12479	3.7
211.13251	96.9
212.29192	2.1
213.11111	3.6
227.12723	16.8
229.14371	4.6
244.08479	2.2
245.13657	2.5
247.13225	2.1
249.14767	4.2
255.15947	10.5
265.14557	2.6
267.15872	17.3
269.17331	3.5
283.15396	17.3
285.16913	16.8
298.17761	4.3
301.16403	4.3
311.18518	6.4
311.22055	4.3
325.23663	2.4
327.13385	2.1
331.15533	2.5
339.18085	11.7
339.21628	3.6
367.20917	4.3
382.27112	5.3
383.22134	2.1
387.15381	8.9
391.24789	2.3
401.23077	3.2
409.25723	7.5
421.25537	2.6
437.25131	2.7
439.26712	12.2
465.28290	2.8
475.26703	12.2
475.33316	4.2
476.27817	4.0
493.27908	22.3
494.28790	9.1
511.28925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01856	2.5
55.05493	4.1
55.11278	1.3
57.03427	6.5
61.02914	1.6
61.58117	1.2
65.03894	1.4
67.05483	4.5
69.03415	25.3
69.07085	2.0
71.04979	3.0
71.62209	1.5
71.62592	1.7
73.02907	1.8
75.04457	3.7
77.19480	1.1
79.05479	25.7
80.69509	1.3
81.03404	11.7
81.07047	9.9
83.04961	6.4
85.02904	20.2
87.04452	2.6
91.03941	1.4
91.05466	13.5
93.07029	93.3
94.07346	1.5
95.04932	6.8
95.08590	5.0
97.02881	8.3
97.06531	2.2
99.04450	6.2
99.08061	1.5
103.03942	3.9
105.07024	13.9
107.04955	2.1
107.08579	29.1
109.02837	6.2
109.06511	3.8
109.10134	4.3
110.54753	1.3
111.04424	4.4
111.08069	5.1
115.71959	1.2
117.06977	1.5
119.08540	7.6
121.06515	3.7
121.10123	100.0
122.10447	1.7
123.04406	2.4
123.08055	2.7
123.11687	3.5
125.09636	1.4
127.03886	8.9
129.05457	8.3
131.08556	8.4
133.10139	3.6
135.11684	4.8
137.05965	5.4
137.09584	2.5
139.11151	7.8
145.04892	5.9
145.10115	2.2
147.06487	4.7
149.08374	2.4
149.09592	50.8
151.03798	1.4
151.11099	2.4
153.12723	2.3
163.03922	2.2
163.05994	2.0
165.07570	6.4
167.07042	8.4
167.10654	23.0
169.12225	4.3
175.05960	1.3
183.08635	12.2
185.11725	1.7
187.13274	7.2
191.10518	1.6
223.07536	4.7
239.03809	1.4
253.23622	1.6
269.08121	4.2
275.12744	1.7
283.15521	2.7
293.13809	6.3
311.14868	35.3
313.21600	2.3
442.47598	1.4
457.20255	1.5
479.16559	2.6
511.19269	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	511.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37244	1.5
51.46245	1.5
53.03931	4.1
54.33572	1.4
54.99874	1.4
55.01861	2.2
55.05497	4.8
57.03415	5.7
61.02893	2.6
67.05486	3.2
69.03417	26.0
70.29872	7.5
71.04965	2.5
74.75392	1.5
75.04444	3.1
79.05483	21.9
81.03405	10.9
81.07051	9.1
81.07444	1.4
83.04967	6.5
85.02900	18.4
87.04444	3.0
91.05470	13.9
93.07029	100.0
94.07366	1.5
95.04948	5.9
95.08575	7.6
97.02849	7.8
99.04435	4.5
103.03931	4.1
105.06992	9.8
107.04935	2.6
107.08578	25.7
109.02867	7.9
109.06471	2.1
109.10126	3.0
111.04422	4.1
111.08045	3.3
117.03321	1.6
117.07001	1.5
119.08548	9.2
121.06524	2.2
121.10123	99.6
125.05969	2.5
125.09520	1.8
127.03904	7.3
129.05484	9.1
129.06993	1.8
131.08566	9.8
133.10155	2.3
135.08011	1.9
135.11662	3.0
137.05981	2.9
139.11143	10.2
143.74435	1.5
145.04936	4.8
147.04344	1.8
147.06448	2.7
149.09595	50.7
150.09926	2.3
151.11102	1.7
163.03763	2.2
163.05965	1.8
165.07581	2.7
167.07007	7.0
167.10649	24.8
177.05382	1.9
183.08650	10.5
187.13260	3.6
195.20752	1.7
223.07489	4.0
269.08032	2.3
283.15317	2.1
293.13760	5.0
311.14856	29.5
315.12225	1.9
347.19458	1.5
347.57034	1.7
351.94656	1.7
372.74283	1.7
392.87674	2.1
393.34790	1.6
511.19272	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	511.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.05485	1.9
57.03400	1.0
57.63257	0.5
67.05494	0.8
69.03418	3.9
69.07061	0.6
69.43789	4.5
71.04974	2.1
73.02887	0.6
79.05476	0.8
81.03414	5.2
81.07043	1.6
83.04962	1.8
85.02886	2.5
85.06523	1.2
91.05464	1.0
93.07011	1.3
93.42870	0.6
95.01334	0.5
95.08573	1.8
95.93449	0.5
97.02883	1.3
97.06509	0.6
99.04433	9.6
99.08045	0.6
103.03925	4.0
105.07006	1.5
107.08546	1.4
109.02869	4.0
109.10129	1.4
111.08091	0.7
117.05476	1.9
119.04890	0.9
119.08582	0.8
121.10151	0.8
127.03892	5.3
130.11559	0.5
132.08064	0.6
133.10120	0.8
135.06508	0.6
135.08044	0.9
135.11635	0.7
137.05989	0.6
137.09608	0.6
143.03377	0.5
145.07574	2.4
145.10072	0.9
146.08403	1.1
147.04376	1.9
147.09142	12.2
149.09538	0.6
159.09158	7.3
160.09917	1.6
161.09543	0.7
161.10736	1.1
163.03905	0.6
163.29358	0.4
165.09253	0.6
167.07048	1.3
173.10686	1.3
175.08638	1.9
177.05525	2.3
178.51645	0.5
184.10028	0.7
185.10629	2.8
187.08681	1.7
189.10223	2.3
190.09833	1.2
191.08121	47.8
192.08714	0.8
197.10756	1.9
199.08537	0.9
199.12291	2.3
200.09384	0.9
213.10225	1.2
215.08086	1.0
215.11777	1.6
216.07626	5.7
225.10233	0.8
227.11742	1.4
229.13387	0.9
233.09175	1.0
243.11278	0.9
245.09091	1.0
245.12834	3.7
263.13834	5.5
271.10825	2.7
289.11761	5.5
289.14764	0.7
305.14966	2.2
306.14505	1.1
307.12823	25.2
308.13309	0.6
324.15750	0.6
332.12329	0.6
345.18130	2.0
347.15652	0.7
350.13574	2.1
371.15863	0.6
389.17014	8.3
391.14966	1.2
406.19629	1.3
415.15103	1.7
432.17807	1.8
433.16006	2.2
450.18771	2.6
451.17032	5.8
476.16479	0.7
494.17615	100.0
495.17865	2.5
495.24362	0.6
504.25296	0.6
511.15250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26104	3.4
53.35930	3.8
55.05506	8.5
57.07065	12.7
67.05470	3.6
68.83789	3.3
69.07054	12.7
69.38225	19.3
69.38658	15.9
71.03726	3.4
71.08628	9.6
76.05852	3.8
79.05465	6.9
81.07025	14.0
83.08612	7.4
85.10169	8.8
91.05453	3.8
93.07011	5.5
95.08585	14.7
97.10159	5.4
98.21512	8.3
105.07009	9.0
107.04943	9.4
107.08590	10.5
109.02850	5.0
109.10139	7.9
119.08551	5.1
121.10117	6.4
123.11677	5.9
133.08597	4.0
133.10123	11.0
135.11717	6.1
143.08525	4.1
145.10132	4.8
147.08018	6.7
149.13148	5.3
159.11742	3.7
161.09625	7.9
161.13150	5.5
171.08047	5.5
189.09134	5.3
203.10735	3.9
217.86848	4.2
238.68956	3.8
257.92163	4.0
271.16980	4.7
301.29007	7.6
337.14648	4.2
415.35638	5.7
417.33569	22.7
425.34055	34.9
433.69073	4.1
439.35672	11.5
443.34769	4.8
457.36676	100.0
469.49106	4.2
475.37714	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.7
57.07070	14.0
63.81792	2.6
67.05470	9.2
67.39528	2.6
69.07065	18.5
69.62294	2.9
71.08631	13.8
71.08943	2.3
79.05467	7.1
81.07047	24.2
83.04939	2.7
83.08607	12.7
85.06514	5.5
85.10155	9.8
87.04454	4.5
89.06013	5.7
93.07040	14.7
94.65091	2.3
95.08607	31.7
97.06530	2.8
97.10139	8.9
105.07012	7.0
107.08585	23.0
109.10122	16.5
111.11714	8.1
119.08559	11.2
121.10123	16.8
123.11688	9.3
127.07567	3.1
131.08543	4.8
133.08633	2.7
133.10071	12.9
135.11691	9.6
137.13249	3.9
141.76434	2.6
143.07010	13.8
147.11646	12.9
149.13245	8.9
159.11578	3.5
161.09621	3.2
161.13254	5.5
163.14790	3.3
181.12257	3.4
193.12263	4.9
207.13760	8.4
216.16289	3.4
256.26361	3.2
275.20065	4.3
283.17548	4.5
347.32919	3.2
387.35849	3.4
394.17792	2.7
403.35318	2.9
405.37155	6.0
411.36057	3.4
425.73407	3.4
429.37009	20.6
447.38290	100.0
448.38132	4.8
465.39264	19.8
472.62491	3.0
510.26682	5.8
510.48608	7.2
511.26465	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	510.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53595	1.2
51.77313	1.1
53.03939	2.9
53.87635	1.3
54.14630	1.2
55.05495	8.4
57.03428	6.2
57.07056	3.0
57.18633	1.2
65.03929	1.5
67.05167	2.3
67.05498	31.9
69.07056	12.1
71.04974	1.6
79.05052	2.4
79.05483	36.0
79.40675	1.3
81.03402	3.4
81.06576	2.5
81.07044	39.3
83.04971	8.5
83.08585	6.2
85.06525	2.0
86.09702	1.5
91.05464	25.6
93.07031	43.1
95.04961	10.3
95.08593	18.8
97.06499	5.1
105.07011	16.1
107.04933	2.3
107.08577	17.0
109.06495	4.7
109.10149	4.4
111.08034	3.5
113.05993	1.2
117.06996	5.0
119.08582	10.6
121.10112	8.0
123.08061	2.2
123.11655	1.7
129.06966	6.0
131.08528	5.3
133.10115	7.5
135.11687	3.2
143.08551	4.6
145.10049	5.3
147.11653	14.0
149.13280	8.9
159.11632	5.5
161.09560	3.1
161.13219	3.9
167.14194	1.2
171.11627	9.3
177.12740	2.4
184.07410	1.4
189.12729	4.9
195.13733	3.4
207.13765	13.9
225.14958	1.9
229.72470	1.4
269.14502	1.5
269.17419	31.7
281.17435	28.6
301.86780	1.4
338.27603	2.4
373.91620	1.3
475.30490	100.0
476.30927	2.9
510.36697	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	510.3542
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.41962	0.2
55.05502	0.9
56.05015	1.4
57.03421	0.6
57.07068	5.4
58.06575	1.4
60.08154	17.6
67.05500	1.3
69.07050	0.6
70.03385	0.4
70.03804	1.1
71.07364	6.1
71.08616	4.0
79.61918	0.3
81.07039	1.9
81.33107	0.3
83.04956	0.3
83.08609	1.5
85.02881	0.3
85.10160	1.9
86.09690	51.8
93.07011	0.4
95.08578	2.4
97.10153	0.9
98.98450	3.6
104.10725	100.0
105.11073	0.4
107.08556	0.4
109.10146	1.1
111.11743	0.3
121.10143	0.4
123.11683	0.5
124.99986	27.1
137.13168	0.3
147.11658	0.3
157.33414	0.3
163.01576	0.8
165.16318	0.3
184.07310	98.0
185.07672	0.5
217.34077	0.3
239.23636	1.5
258.10941	0.7
302.15210	0.3
313.27283	6.1
319.32895	0.3
327.28949	2.2
331.28387	1.1
347.68576	0.3
383.44983	0.3
433.26367	0.3
492.34402	9.2
510.35474	48.3
511.35797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.05502	6.1
57.03434	3.0
57.07069	32.1
60.08153	3.0
61.02907	4.3
67.05498	13.9
69.03395	1.4
69.07051	10.0
71.08269	2.5
71.08626	28.5
71.23132	3.5
75.61108	1.2
79.05479	2.8
81.03435	1.4
81.07052	19.8
83.08616	12.2
85.02907	4.9
85.10175	17.8
86.09700	11.2
87.97756	1.4
89.06023	1.4
91.03954	1.7
91.05492	2.6
93.07055	3.6
95.04936	2.3
95.08597	24.4
97.02895	1.4
97.10165	5.0
98.98477	1.5
102.97509	1.5
104.10735	17.9
105.07037	4.8
107.08588	2.7
109.10143	14.2
119.08573	1.6
121.10142	2.0
122.50926	1.5
123.11677	4.5
123.90683	1.3
124.99970	4.7
133.10155	2.2
135.11711	1.5
137.13309	2.8
139.03905	1.9
159.11638	1.9
184.07317	19.0
187.92461	1.4
239.23662	30.4
257.24771	4.2
313.27332	100.0
314.27585	3.2
331.28360	20.7
360.40405	1.7
401.28745	1.9
510.35739	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	510.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01863	10.6
55.05499	11.9
56.98729	1.4
57.03428	2.5
57.07051	2.5
65.03932	2.2
67.05492	18.5
69.03407	3.9
69.07052	11.3
70.06575	3.2
70.58397	5.1
71.04978	5.5
71.63892	1.5
73.57282	1.4
76.47638	1.4
79.05479	13.8
81.03365	1.9
81.07040	31.1
83.04957	3.7
83.08604	4.8
85.06528	6.9
87.04465	2.7
89.60239	1.4
91.05475	17.9
93.07022	24.4
95.04943	6.3
95.08591	26.9
97.06528	6.2
97.10170	2.2
99.08075	43.1
105.07006	38.3
107.08575	26.2
109.06505	4.8
109.10136	19.3
111.08057	100.0
113.09617	1.7
117.07010	8.3
119.08546	28.0
121.06448	4.1
121.10130	17.8
123.08064	3.9
123.11665	8.6
125.09623	9.1
129.06987	8.9
131.08551	25.4
133.10098	24.3
135.08047	4.9
135.11652	10.6
137.09537	3.7
139.07588	1.7
139.11131	3.7
141.06929	2.5
142.07759	4.8
143.08522	15.8
143.94687	1.9
144.09361	1.6
145.10094	28.9
147.08020	3.1
147.11662	28.3
149.02332	5.5
149.09587	5.2
149.13239	5.0
151.07526	2.1
151.11151	6.2
153.12798	3.6
155.08521	6.8
156.09300	3.0
157.10103	23.6
159.11668	26.5
161.09618	4.2
161.13210	23.2
163.11148	5.3
163.14789	2.4
165.12711	3.5
167.08531	2.1
169.10089	8.0
170.10919	2.3
171.11673	16.0
173.09676	3.3
173.13234	14.5
174.62691	1.5
175.11154	3.2
175.14772	4.7
177.09055	2.2
177.12686	3.3
179.14224	2.9
181.12267	1.8
183.11661	6.7
185.09662	3.3
185.13205	14.1
187.11174	2.8
187.14799	13.1
189.12750	5.4
189.16412	3.8
191.10736	2.1
191.14316	3.2
193.04936	5.9
195.11705	4.0
197.13208	9.9
199.11153	2.6
199.14807	10.6
201.12698	2.3
201.16374	3.5
203.10616	3.8
203.14293	5.5
205.12213	2.6
205.15770	1.9
207.13675	1.9
209.13350	3.3
211.14848	5.0
213.16345	5.2
215.14264	3.8
217.12117	3.1
217.15820	4.3
219.13628	1.8
223.14842	2.9
225.16356	5.4
227.14267	2.0
227.17987	2.3
229.15892	2.0
231.13742	5.8
233.15341	2.3
237.07552	7.1
237.16325	2.2
239.17882	2.9
243.17397	3.4
245.15422	4.4
253.19456	5.2
271.20547	7.4
279.20871	2.0
281.10214	1.8
281.18964	3.4
287.80072	1.6
297.22015	1.7
299.19992	8.9
327.22858	2.2
351.26553	2.0
369.27884	7.6
379.26532	2.8
387.28894	5.2
397.27301	2.2
415.28381	6.6
433.29358	4.1
510.22488	2.0
510.34293	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	6.0
55.01863	2.7
55.05490	4.1
58.79684	1.6
65.03900	2.1
67.05486	6.8
69.03420	18.3
69.07039	3.9
71.04978	5.8
71.10634	4.3
79.05473	16.3
81.03401	39.8
81.07059	8.3
82.11189	1.9
83.04956	3.5
85.02879	10.2
85.06515	2.7
91.05463	10.7
93.07019	39.8
95.04935	5.7
95.08591	4.4
97.02889	9.7
97.06492	5.1
99.04417	16.8
105.03367	3.0
105.07008	42.9
107.04929	2.4
107.08571	100.0
108.08873	1.9
109.02853	22.2
109.06500	6.0
109.10098	3.7
111.04415	9.4
111.08038	5.2
113.05923	2.2
117.03339	8.0
117.06982	4.8
119.08573	14.7
121.02843	3.7
121.06479	20.6
121.10130	36.6
123.07978	2.1
127.03889	19.0
131.08511	8.2
133.10080	5.9
135.04361	2.3
135.08032	8.7
135.11664	16.3
137.05960	2.9
137.09601	5.8
139.07591	2.4
143.08479	2.1
145.02829	22.1
145.10085	41.6
147.11649	5.6
149.04915	1.8
149.05911	8.8
149.09601	14.4
151.07529	3.8
151.11095	1.7
152.76651	1.6
161.09639	5.5
162.09894	1.8
163.03696	1.9
163.11147	85.8
165.09030	3.9
169.08644	1.9
173.09564	7.1
175.11136	3.8
177.05435	59.0
178.05806	3.1
179.10681	2.5
181.04922	2.8
181.12209	18.5
189.09088	4.5
191.10634	68.7
203.10690	1.8
207.10158	2.9
209.11688	28.8
227.12732	51.1
253.12329	2.1
271.13351	2.9
289.14166	3.0
299.12738	7.4
309.13336	3.4
317.13821	14.9
335.14813	34.4
353.15866	79.7
371.16940	18.1
511.17804	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	510.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98560	0.7
53.03928	1.0
55.01872	0.8
55.05500	1.7
55.64463	0.7
65.03925	0.7
67.05495	13.3
69.03418	5.3
69.07079	0.7
69.57493	0.7
70.36911	1.2
70.37327	2.1
71.04973	1.7
77.81696	0.7
79.05485	2.7
81.03407	13.4
81.07044	9.2
83.04962	1.3
85.02924	3.5
85.06534	1.0
91.05460	2.1
93.07027	2.9
95.04949	3.1
95.08595	7.2
97.02899	4.0
99.04454	2.2
99.08093	0.8
105.06999	1.8
107.08559	3.8
109.02866	14.6
109.06522	1.5
109.10140	35.8
110.10421	0.7
111.04439	1.9
119.08574	3.4
120.08941	0.7
121.02830	2.7
121.10124	2.0
122.03243	0.9
123.11689	0.7
124.07564	2.8
124.95577	0.7
125.05965	1.9
127.03880	7.3
129.05446	0.7
133.10118	0.9
135.08003	2.3
137.09598	100.0
138.09955	1.4
139.03810	0.7
142.08606	3.0
145.04950	0.9
147.04399	0.8
155.10645	6.7
165.09093	83.7
166.09438	1.4
175.11160	0.7
179.10620	0.7
180.27977	0.7
181.15849	2.9
183.10135	7.7
196.92314	0.7
199.16869	1.3
201.11192	10.7
249.88731	0.9
280.76096	0.7
291.12262	9.1
299.83353	0.7
303.05103	0.9
309.13284	58.6
327.14319	14.4
343.92087	0.7
345.15399	4.0
377.01721	0.9
409.82986	0.7
447.75534	0.7
510.19180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01863	1.7
57.03428	4.9
59.04985	1.2
60.04528	0.6
61.02917	9.5
61.73267	0.5
67.05500	3.1
69.03416	18.7
69.07056	27.2
69.76202	3.6
71.04992	2.7
72.65857	0.5
73.02908	3.3
79.05479	0.9
81.03407	7.6
81.07047	9.1
83.01331	0.6
83.04986	0.7
85.02890	100.0
87.04450	2.1
91.03938	5.1
91.05452	1.0
93.07037	0.7
95.04985	0.9
95.08578	2.7
97.02876	30.3
98.06006	0.6
98.20756	0.6
99.04441	5.1
101.02371	0.7
103.03893	0.8
105.07027	0.7
107.08579	1.1
109.02864	8.8
109.06540	1.3
109.10129	4.7
111.04421	0.5
113.06014	0.5
115.03909	1.4
117.05505	0.6
121.10130	0.7
123.11686	39.2
124.07581	1.2
124.12014	0.6
126.05514	0.8
127.03896	28.2
133.10155	1.0
137.09564	0.5
142.08632	2.3
144.06554	1.2
145.04935	49.2
147.04390	1.4
151.11157	38.6
152.58578	0.5
162.07574	0.8
162.09941	0.5
163.05980	20.1
169.12201	4.2
195.80557	0.5
289.09134	0.8
294.94223	0.7
313.16367	4.7
324.12601	0.6
325.11325	1.0
398.85788	0.5
420.92581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01853	2.5
57.03424	5.3
61.02916	9.5
64.70119	1.1
67.05500	1.7
67.24731	0.9
69.03419	18.9
70.74167	0.9
71.04975	3.5
71.62730	1.7
73.02900	3.3
79.05471	1.8
81.03410	9.3
81.07040	1.4
85.02893	98.0
87.04478	2.1
91.03963	7.0
91.05486	2.6
93.07048	1.1
95.04948	1.0
97.02876	24.0
99.04422	6.5
105.07030	1.3
107.04900	1.2
109.02881	10.9
117.03387	1.1
127.03899	28.7
133.10097	2.6
137.02318	94.8
145.02911	2.7
145.04942	54.2
147.04399	1.8
163.05989	23.3
169.04941	100.0
177.05440	6.6
178.05786	1.8
179.06000	1.8
258.09937	1.1
325.11469	1.5
426.95673	1.0
510.18118	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	510.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69680	0.5
53.03938	2.1
55.01864	3.1
55.05507	1.0
57.03424	3.8
57.07069	1.3
59.04992	9.2
61.02917	6.0
67.05499	3.5
69.03417	13.5
69.07057	1.8
69.74266	2.3
69.74684	1.1
71.04980	15.2
73.02904	1.8
79.05482	5.1
80.75547	0.5
81.03400	5.8
81.07043	21.8
83.01336	0.6
83.04956	0.7
83.08605	0.8
85.02889	70.1
85.06498	0.7
86.03219	0.6
87.04443	2.1
91.03922	2.8
91.05463	3.9
93.06454	1.1
93.07027	12.6
93.07619	0.9
95.04944	2.6
95.08604	3.0
97.02876	18.1
97.06527	1.0
99.04444	3.3
101.02350	0.6
103.03928	0.5
105.07016	3.6
107.08575	12.0
109.02864	6.3
109.06501	7.4
109.10140	17.5
111.08062	8.7
115.03854	1.0
119.08539	0.7
121.06521	0.8
121.10119	1.6
123.08050	1.6
123.11683	30.1
127.03896	17.1
131.08537	0.9
133.10110	14.3
135.08028	1.0
135.11649	0.8
137.09612	0.6
145.02817	0.9
145.04935	26.8
145.06123	0.9
145.10112	0.6
147.04411	0.6
151.11156	100.0
152.11481	1.5
153.12724	2.5
163.05988	13.7
163.07359	0.9
169.12213	33.9
170.12621	1.0
172.09650	0.7
177.05373	1.6
195.06464	0.5
259.13223	0.6
277.14346	1.1
289.09238	1.2
295.15366	3.5
313.16388	9.0
325.11267	7.3
328.98676	0.5
331.17459	19.0
332.17749	0.5
510.25266	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01870	1.4
55.05502	24.1
57.03434	3.8
57.07061	11.5
57.97397	1.3
58.96001	1.1
59.04994	1.4
65.03935	1.5
66.03992	1.2
67.05494	32.3
69.03407	4.2
69.07054	53.0
69.47429	13.1
71.04980	3.8
71.06771	1.3
71.08619	5.7
73.02913	2.1
73.06541	1.6
79.05483	17.8
81.03416	7.3
81.07043	100.0
83.04967	1.7
83.08605	29.5
85.02897	11.2
85.06524	13.5
85.10143	3.5
90.57487	1.4
91.05459	12.0
93.07023	22.3
95.04965	6.4
95.08590	95.9
97.02872	6.1
97.06516	5.2
97.10151	25.3
99.04494	1.6
99.08066	10.0
103.78886	1.4
105.07010	10.0
107.04917	4.5
107.08578	23.1
108.08107	2.2
109.02884	2.5
109.06490	4.8
109.10137	59.5
111.04408	2.1
111.08065	3.7
111.11687	14.9
113.09628	3.2
117.06991	2.9
119.04919	2.2
119.08569	5.8
119.20369	1.8
119.21207	1.4
121.02837	1.8
121.06507	3.4
121.10133	14.1
123.04414	4.6
123.08028	3.4
123.11695	28.4
125.09629	4.9
125.13221	8.3
127.11164	7.3
129.07013	2.1
129.12744	3.1
131.08565	4.3
133.10107	7.1
135.04408	2.4
135.07990	3.1
135.11655	12.1
137.05963	3.6
137.09686	3.5
137.13217	17.0
139.03871	5.4
139.14771	2.0
143.08594	1.9
143.14311	5.3
145.02879	2.5
145.06474	1.4
145.10089	3.5
147.04362	11.1
147.07956	1.8
147.11659	3.4
149.09567	3.4
149.13243	17.9
150.09109	1.4
151.03873	4.6
151.07568	1.4
151.11127	2.0
151.14790	27.6
153.09126	1.4
153.12720	8.2
155.14334	1.5
157.10138	3.0
159.11693	3.3
161.09636	3.2
161.13167	1.9
163.03900	3.7
163.07430	1.5
163.11177	3.6
163.14777	8.3
165.09056	3.4
165.16400	10.5
167.06981	1.7
169.15837	5.6
171.11656	1.5
171.13786	3.3
173.13239	2.6
173.15364	2.0
175.11115	1.7
177.05444	6.1
177.16389	3.2
179.17938	5.4
181.10048	2.3
183.17384	2.2
191.17943	2.7
193.12225	4.6
193.19389	1.6
197.19016	1.8
199.20598	2.8
205.19496	3.2
207.21043	2.1
209.11578	2.1
211.13255	3.2
219.21083	3.9
227.12767	3.2
233.11697	1.9
237.22121	1.8
239.23721	2.5
263.27286	2.4
275.27255	10.9
281.28314	8.3
293.28342	28.5
301.07129	2.5
303.08765	2.3
311.29410	17.9
329.30460	3.8
367.22824	2.0
385.23822	2.7
401.58243	1.6
435.34915	1.5
459.27652	3.8
473.33191	1.9
477.28421	2.5
509.27069	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	509.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76371	1.5
53.03926	4.3
55.01854	6.1
55.05260	2.4
55.05505	33.3
57.03418	4.8
57.07065	14.1
65.03932	3.8
67.05495	42.3
69.03413	7.2
69.07058	51.1
69.96555	5.2
69.96967	2.6
71.01340	1.8
71.04971	6.7
71.08621	2.4
73.12364	1.4
79.05481	29.8
81.03414	15.2
81.07047	100.0
82.07384	2.7
83.01324	1.8
83.04970	8.4
83.08611	30.4
85.02901	11.8
85.06528	19.4
85.10185	1.7
91.05471	23.8
93.07030	37.0
95.04552	1.3
95.04974	13.7
95.08594	94.5
96.08891	2.0
97.02880	4.7
97.06515	12.5
97.10154	20.6
99.04434	3.0
99.08085	9.9
100.11263	1.8
101.06029	1.8
105.03378	1.7
105.07012	21.2
107.04947	8.3
107.08579	31.0
107.79218	1.5
108.08890	2.3
109.02858	4.5
109.06516	7.9
109.10143	61.4
110.10428	1.8
111.04414	6.2
111.08062	6.7
111.11690	17.7
113.09611	2.6
115.05411	2.0
117.03363	3.2
117.06997	6.5
118.01994	1.5
119.04939	5.0
119.08565	16.3
121.02862	5.9
121.06487	5.7
121.10117	20.7
122.10452	1.7
123.04401	12.8
123.08044	5.2
123.11694	33.4
124.12074	1.8
125.05923	2.6
125.09611	8.5
125.13237	7.5
127.03909	2.0
127.11185	6.8
128.06201	3.0
128.83861	1.6
129.06987	5.8
129.12749	2.2
131.04915	1.8
131.08611	7.6
133.06439	3.3
133.10115	13.1
135.04402	2.5
135.08038	3.6
135.11684	16.5
137.05966	6.7
137.09578	6.4
137.13240	11.3
139.03883	9.1
139.07521	3.0
139.11143	2.9
139.14806	2.3
141.05469	1.8
141.07007	1.8
143.04907	2.5
143.08499	3.9
143.14319	3.3
145.02809	4.9
145.06433	3.1
145.10126	12.2
147.04387	10.3
147.08012	3.8
147.11664	7.9
149.05975	3.3
149.09604	5.1
149.13252	12.9
151.03899	6.9
151.07509	4.0
151.11111	3.4
151.14809	20.3
153.05409	2.4
153.09106	3.1
153.12724	8.3
155.08476	1.8
157.10118	5.7
157.15836	1.9
159.11668	5.8
161.05933	2.6
161.09624	4.4
161.13208	4.6
163.03871	4.6
163.07533	2.5
163.11168	8.3
163.14830	6.6
165.05507	4.1
165.09100	2.3
165.12712	3.3
165.16364	6.6
167.07069	7.7
167.08434	1.9
169.10114	3.6
169.15889	3.1
171.11659	3.2
173.05965	1.9
173.09616	5.0
173.13200	3.9
175.11235	4.0
175.14841	2.6
177.05446	15.5
177.09088	2.3
177.16359	3.7
179.10651	2.9
179.17944	4.4
181.12227	3.6
181.15907	2.2
183.17474	2.8
184.07361	1.8
189.05368	1.8
189.09074	2.7
191.10645	2.3
193.08502	1.8
193.12259	5.9
193.19522	1.9
205.12193	2.1
205.19464	2.7
209.11725	7.1
209.15334	4.1
211.13220	4.1
215.17894	1.6
219.21057	2.8
227.12746	6.1
227.16325	4.0
233.11577	2.6
237.21976	2.6
265.14380	1.6
267.15918	2.4
275.27298	9.8
281.28381	9.5
283.15363	3.8
293.28271	19.7
303.08612	4.2
311.29431	21.4
329.30539	3.5
339.19470	2.7
350.24100	2.5
357.20490	3.6
368.25250	2.2
401.30228	1.6
409.58542	1.9
463.27200	2.3
473.32867	2.7
491.26288	3.7
491.33722	2.2
509.19073	3.7
509.27206	31.4
510.27200	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3102
Annotation	Carthamoleusterone
Peak:m/z	Relative Intensity
53.03931	7.0
55.01865	10.9
55.05504	33.3
57.03432	21.5
59.05000	3.7
61.24613	2.2
64.94042	2.2
65.03920	3.2
67.05497	80.3
69.03417	6.8
69.07066	21.7
71.04985	10.3
73.06516	2.5
77.03962	2.7
79.05482	100.0
79.12910	2.2
81.03409	63.6
81.07049	81.8
83.04971	31.5
83.08603	24.8
85.00338	2.5
85.02892	20.2
85.06527	5.2
91.05470	91.1
92.05822	3.3
93.07034	96.4
95.04955	45.0
95.08598	44.8
97.02869	3.8
97.06514	7.8
97.10154	7.5
105.04496	3.6
105.07018	65.6
106.07288	2.4
107.04952	19.3
107.08582	28.8
109.06496	11.5
109.10150	15.4
111.04436	4.3
111.08064	9.1
115.05435	2.5
117.07021	13.9
119.08557	39.5
121.06491	8.2
121.10144	15.8
123.08075	10.1
123.11699	5.3
125.09632	4.9
127.07561	3.9
128.06223	3.7
129.07007	28.2
131.08557	18.8
133.10110	26.4
135.11716	6.7
142.06734	2.2
142.07809	5.0
143.08551	10.7
145.10078	20.5
147.08028	9.4
147.11667	56.1
149.09587	7.5
156.09308	2.6
157.10147	15.7
159.11710	5.7
161.09573	5.2
161.13249	16.7
163.11147	5.0
171.11673	31.6
173.09499	3.9
175.11185	13.8
187.74422	2.4
189.12727	12.4
193.12233	37.8
207.13794	37.0
209.11673	3.7
211.13255	50.9
225.14833	3.7
227.12740	4.0
229.66463	3.0
247.16974	2.4
250.87936	2.6
267.15897	36.9
281.17441	84.9
283.15475	2.8
285.16934	29.8
356.99716	2.6
456.32138	3.1
459.27557	2.6
473.28909	55.0
491.23370	5.1
491.29959	70.3
509.27643	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	509.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	19.4
55.05501	60.4
56.86464	3.9
57.03415	14.9
57.07025	3.9
59.04983	4.8
65.03921	7.1
65.38007	3.8
67.05163	7.1
67.05491	79.3
69.03404	17.0
69.07051	38.5
69.36231	26.4
69.36655	12.5
69.55136	3.8
71.04977	21.6
79.05475	92.5
81.03402	36.5
81.06577	5.8
81.07039	100.0
83.04955	17.6
83.08601	30.5
85.02871	15.5
85.06517	18.0
91.05462	55.9
93.07025	90.6
95.04954	57.5
95.08576	60.7
97.02860	8.4
97.06503	21.9
97.10146	50.0
99.08050	4.5
105.07008	53.8
107.04919	45.7
107.08574	65.3
109.02919	4.2
109.06493	38.4
109.10134	40.7
111.04416	9.0
111.08047	14.7
115.05461	4.2
117.07005	28.8
119.04906	4.9
119.08533	23.3
121.06488	37.5
121.10110	45.1
123.04400	17.9
123.08078	21.8
123.11645	11.7
125.05972	6.4
125.09621	42.0
129.06960	16.1
131.04848	5.0
131.08563	32.7
133.06470	7.8
133.10097	26.9
135.08022	28.1
135.11650	25.9
137.05992	11.1
137.09561	10.3
139.03888	18.8
139.11165	6.5
143.08501	10.5
145.06494	19.7
145.10098	20.8
147.04387	15.4
147.08000	17.8
147.11655	17.3
149.09601	18.4
151.03847	12.4
151.07521	9.3
151.11208	5.9
153.01817	8.9
153.09058	9.0
153.12740	4.8
155.08429	7.6
157.10089	13.8
159.08015	5.5
159.11624	17.7
161.05853	4.7
161.09576	11.2
161.13275	6.3
163.03854	5.1
163.07527	7.0
163.11168	21.7
165.05469	11.2
165.09036	9.8
167.07068	4.3
167.10622	16.3
169.10027	7.0
171.07997	6.0
171.11577	5.1
173.09579	9.6
173.13229	8.4
175.11159	11.6
175.14749	4.6
175.46231	3.7
177.05437	14.8
177.12761	5.9
178.57632	4.2
179.06955	9.1
179.08412	4.5
181.04912	4.5
181.10104	6.6
181.12114	6.9
183.11647	6.4
184.14726	3.6
185.13242	7.9
187.11125	9.1
187.14824	5.1
189.11273	20.6
189.12679	6.5
189.16292	4.8
191.07004	4.9
191.14200	7.3
193.12196	12.7
195.11678	5.8
197.13344	6.1
199.11234	5.4
199.13257	16.5
201.12662	7.6
205.12141	7.7
209.11638	9.3
211.13222	8.4
215.14278	7.2
217.12299	5.8
219.13667	27.5
223.13193	8.2
227.12645	30.5
233.11732	4.5
233.15334	19.2
249.08932	3.9
249.14737	6.1
255.13716	5.4
267.15796	14.0
273.14493	9.6
273.16992	16.4
275.16168	7.3
283.15186	5.2
287.52545	4.5
293.17453	19.2
303.08554	6.4
339.23111	10.3
347.18546	7.0
349.21539	13.6
350.23996	5.1
357.20389	6.1
367.22623	52.5
385.23679	64.5
393.18695	4.4
403.24603	24.7
405.24030	5.9
430.76346	4.3
441.26212	11.6
459.27359	99.8
477.22043	7.3
477.28391	82.2
491.30154	31.3
509.30545	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	509.2741
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.03929	5.9
55.01867	40.4
55.05504	43.2
56.52377	1.5
57.03431	15.3
57.07071	8.8
59.04974	2.4
61.02905	1.6
65.03929	2.3
67.05499	56.4
69.03419	13.8
69.07063	21.4
71.01338	4.8
71.04985	10.6
71.62230	1.4
73.02906	10.6
79.05487	67.0
81.02962	2.8
81.03407	31.8
81.06572	3.3
81.07048	55.8
82.04196	7.4
83.01333	8.4
83.04974	33.0
83.08604	25.3
84.05730	3.3
85.02889	18.2
85.06522	5.6
85.72871	1.3
86.03237	2.0
91.05467	44.7
93.06460	3.4
93.07034	60.3
95.04945	28.5
95.08598	28.9
96.08926	2.7
97.02888	13.9
97.06514	16.4
97.10160	12.4
98.07316	12.8
99.04441	4.6
99.08063	3.1
101.06001	1.7
105.07019	31.6
106.07863	1.7
107.04944	16.6
107.08587	39.2
109.02882	3.5
109.06510	16.1
109.10135	21.0
110.10521	1.9
111.04424	8.8
111.08077	9.5
113.05943	2.2
115.03883	3.2
115.05449	2.6
116.04720	2.1
117.05483	4.0
117.07020	15.4
118.48943	1.4
118.54861	2.0
119.04781	1.5
119.08575	26.5
120.09375	2.3
121.06524	7.2
121.10130	21.4
123.04422	4.7
123.08070	18.7
123.11691	7.1
125.05989	3.1
125.09612	12.7
127.03910	3.2
127.11175	4.9
128.06212	2.2
128.11496	2.1
129.05487	2.5
129.07016	7.4
130.07768	3.4
131.08563	13.1
133.04977	2.0
133.06444	3.4
133.10127	13.6
135.08035	6.7
135.11670	22.8
137.06020	2.9
137.09593	6.7
139.07512	2.0
143.08525	3.8
145.04944	2.1
145.06500	2.0
145.10115	28.6
147.04431	2.4
147.07985	7.5
147.11673	16.2
149.05937	1.5
149.09593	5.4
149.13254	3.5
150.10414	1.9
151.03839	1.9
151.07497	2.4
151.11200	3.3
153.09099	2.3
153.12740	7.4
155.08556	4.1
157.10109	6.1
158.05753	7.6
159.11690	1.8
161.09543	2.8
161.13277	2.4
163.11151	44.2
164.11830	1.8
165.09142	3.1
167.06978	1.9
171.06499	8.4
171.11552	1.9
173.09590	6.6
173.11784	2.0
175.11185	5.5
179.17944	3.0
181.10121	2.0
181.12216	9.3
184.07320	2.7
189.11168	2.6
191.10724	7.8
192.11456	1.5
193.12259	6.4
197.08044	1.8
199.00232	1.9
199.09715	2.2
199.13171	2.3
201.14827	8.0
207.13779	4.0
209.11719	17.1
210.12415	3.0
211.13272	6.3
218.00748	1.5
225.11266	2.7
226.12035	3.3
227.12735	13.7
255.15909	5.2
265.14349	2.4
267.15912	5.5
281.17441	4.0
283.15436	13.2
285.16989	1.9
295.15366	3.4
305.64667	1.6
311.22195	2.9
321.17014	3.3
337.16364	13.8
351.18033	4.8
365.19415	8.7
379.20709	3.1
379.24960	3.6
407.24329	3.2
408.25009	5.8
417.22870	1.9
437.25104	5.6
463.26880	2.7
473.29266	3.2
491.25836	5.2
492.27039	5.2
509.27365	100.0
510.27643	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.0
57.07063	27.3
58.64540	3.2
62.06080	59.7
65.03942	4.3
65.27534	3.3
67.05491	28.1
68.05819	3.8
69.07055	30.4
71.05003	3.5
71.08619	15.2
71.62270	3.0
71.62651	3.9
79.05488	14.4
81.07047	52.8
83.04967	5.8
83.08628	19.5
85.10157	6.0
89.79544	2.8
91.05465	16.0
93.07034	31.5
94.07384	3.4
95.04933	4.3
95.08602	36.5
97.10157	15.4
105.06998	25.3
107.08577	28.2
109.06516	3.2
109.10156	21.8
111.08056	3.7
114.73740	3.5
117.07001	4.5
119.08564	18.3
121.06458	3.7
121.09340	3.1
121.10121	18.6
123.07995	4.6
123.11670	9.5
129.06932	5.5
131.08549	8.0
133.10107	25.0
135.11693	16.8
137.09544	2.9
143.08539	5.5
145.10130	11.5
147.11620	10.4
149.09579	4.6
149.13242	11.3
157.10144	8.6
159.11674	9.4
161.13228	14.5
163.14777	4.7
171.11687	3.8
173.13316	6.4
175.11247	4.3
175.14789	6.1
185.13283	3.7
187.14780	5.8
189.16367	3.6
201.16370	7.7
229.19476	3.8
247.24176	3.6
253.19443	3.8
257.22729	3.3
273.25742	7.4
325.92001	4.0
369.35031	13.4
376.32089	16.0
393.35086	11.3
411.36234	22.9
431.44812	3.5
472.41489	100.0
473.41339	4.9
490.42465	46.3
491.42441	3.4
493.51251	3.0
508.33807	4.8
508.41339	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	508.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	1.7
53.19211	1.5
55.05508	11.4
57.07060	2.5
67.05496	18.9
69.07059	20.4
69.91025	1.5
70.22668	1.5
71.04985	12.5
79.05480	18.4
81.07044	46.8
83.04957	2.3
83.08601	9.2
85.06533	100.0
91.05466	13.8
92.17454	2.0
93.07032	36.5
95.04960	7.2
95.08595	59.1
97.06517	8.8
97.10164	4.5
99.08047	3.2
105.07018	45.9
107.08582	43.8
109.06503	2.8
109.10135	33.0
109.10811	2.6
111.08063	4.7
113.09547	1.8
117.07020	10.6
119.08554	31.8
121.06470	1.9
121.10118	31.1
121.10902	2.9
123.08033	1.7
123.11702	9.7
125.09589	3.6
128.06183	3.3
129.07004	9.2
131.08556	32.8
133.06447	2.2
133.10114	33.0
135.11673	16.9
137.13249	4.8
141.07042	2.8
142.07765	3.5
143.08554	23.9
144.09293	3.9
145.10100	45.4
147.08003	4.0
147.11652	25.3
149.02350	2.3
149.09599	3.4
149.13243	25.7
151.14850	2.3
155.08540	5.2
156.09460	1.6
157.10107	34.5
159.11664	39.2
161.09666	2.2
161.13228	33.3
163.11108	4.1
163.14795	15.3
167.14299	4.0
169.10103	6.7
171.11673	23.8
172.12326	2.4
173.09676	2.0
173.13249	20.1
175.11162	5.7
175.14792	13.8
177.12788	2.4
177.16417	4.7
179.14267	3.4
181.10104	3.2
181.15840	8.7
183.11671	6.6
185.09573	2.5
185.13174	15.3
187.11156	4.1
187.14760	17.9
189.12762	3.1
189.16336	11.7
191.10707	3.2
191.14230	2.6
193.12292	3.5
193.15877	5.4
197.13303	4.9
199.11229	1.9
199.14787	17.7
201.16354	8.7
203.10600	3.4
203.14281	3.5
203.17946	3.5
205.12152	4.0
205.15918	4.5
207.13748	2.0
207.17430	2.8
209.11697	2.6
211.14798	6.7
213.16360	4.6
215.14301	4.2
215.17972	2.3
217.12148	8.4
217.15855	6.6
219.13867	3.9
219.65077	1.9
225.12779	1.9
225.16298	2.7
227.14369	2.4
227.18071	2.7
231.13762	9.8
233.15343	5.9
239.17912	4.9
243.13756	2.2
245.15329	7.4
247.16878	6.1
249.14711	2.3
250.45218	1.8
253.19467	4.9
256.26282	2.2
263.16379	4.6
317.21283	1.9
327.23148	3.8
339.26901	2.8
345.24191	2.3
349.28937	8.3
367.29889	50.6
369.31430	5.6
377.28290	5.9
385.30988	30.3
395.29431	53.9
413.25012	2.6
413.30493	52.4
413.35782	4.1
414.31027	1.8
431.31522	30.4
439.44504	1.8
449.80313	2.0
508.36343	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	508.3391
Annotation	PC(17:1(10Z)/0:0)
Peak:m/z	Relative Intensity
50.39429	0.4
53.03926	0.5
54.52794	0.3
55.05505	2.2
56.05019	1.4
57.03417	0.9
57.07052	0.9
58.06592	1.5
60.08154	15.8
67.05487	2.4
69.07056	3.0
70.04966	0.3
70.06525	0.4
71.07360	6.2
71.62489	0.5
76.24032	0.3
79.05476	1.4
81.07046	2.5
83.08605	1.7
85.06493	0.3
85.57859	0.3
86.09692	48.9
87.10058	0.5
91.05462	0.8
93.07027	1.7
95.08600	2.2
97.06538	0.4
97.10162	0.9
98.98455	3.6
104.10728	100.0
105.07029	1.0
105.11007	0.4
107.08590	0.9
109.06528	0.4
109.10164	1.4
111.08028	0.4
112.95927	0.4
119.08541	0.6
121.10147	1.7
123.11736	0.4
124.99986	25.7
125.09592	0.4
133.10086	0.6
135.11678	1.1
143.01054	0.4
145.10097	0.6
149.13243	0.4
159.11607	0.4
161.13333	0.4
163.01546	0.9
167.19453	0.4
184.07312	93.3
185.07555	0.6
253.43990	0.3
258.11060	1.4
311.25708	0.5
325.27347	1.3
336.26129	0.6
490.32910	9.7
493.37726	0.4
508.33929	43.0
509.34601	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28564	0.2
55.05494	0.9
56.05019	0.2
57.03423	0.3
57.07071	0.2
58.06347	0.2
58.06615	0.5
59.07372	0.2
60.08151	5.1
67.05493	1.5
68.05849	0.2
69.07040	1.0
71.07357	2.3
71.63228	0.2
73.78631	0.1
79.05486	0.8
80.05824	0.2
81.07043	1.2
82.07381	0.3
83.08586	0.4
83.27644	0.2
86.09689	27.6
91.05471	0.5
93.07042	1.2
94.07331	0.2
95.04967	0.2
95.08591	1.0
96.08925	0.3
97.06508	0.2
97.10135	0.2
98.98442	3.1
104.10720	2.9
105.07010	0.6
106.07355	0.2
107.08571	0.7
108.08920	0.3
109.06493	0.1
109.10126	0.5
117.06963	0.2
119.08564	0.3
121.10120	0.6
123.11658	0.2
124.99978	18.3
131.08455	0.2
133.10107	0.4
135.11659	0.5
143.00984	0.2
145.10120	0.2
147.11659	0.2
147.27036	0.2
155.01030	0.5
161.13235	0.2
163.14684	0.2
166.02625	0.2
184.07303	100.0
185.07610	0.6
262.22372	0.3
325.27478	0.2
335.25708	0.5
336.26028	2.3
438.62448	0.1
490.32791	1.0
508.33920	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01866	0.9
55.05505	4.8
57.03413	0.9
57.07070	1.0
60.25126	0.9
65.03935	1.0
67.05498	9.1
68.54574	0.8
69.03439	4.9
69.07053	4.6
69.61250	1.8
69.61669	4.8
77.29336	0.9
79.05487	8.8
81.07049	20.1
83.04984	1.0
83.08629	1.7
85.06529	1.3
87.57352	0.8
91.05460	12.5
93.07030	19.6
95.04954	4.0
95.08596	21.0
97.06536	3.8
97.10162	1.3
99.08099	2.0
104.14193	1.0
105.07013	38.1
107.08582	37.3
109.06522	3.0
109.10135	13.8
111.08045	1.8
117.07017	9.7
118.21915	1.1
119.08569	29.2
121.06483	4.1
121.10125	54.6
123.08050	4.2
123.11693	10.2
128.06219	2.6
129.06985	9.7
130.07771	1.4
131.08556	32.6
132.09369	1.2
133.10109	33.3
135.08052	3.6
135.11674	15.9
137.09576	2.0
137.13243	2.7
139.75616	0.9
141.06990	2.8
142.07800	5.2
143.08542	26.7
144.09361	2.6
145.10103	32.8
146.10858	1.1
147.08022	6.5
147.11664	25.7
149.09592	7.1
149.13239	9.3
151.11183	1.9
155.08530	6.4
156.09355	4.3
157.10110	40.6
158.10733	1.5
159.08086	1.5
159.11676	29.1
161.09583	5.9
161.13231	16.2
163.11147	10.6
163.14757	6.4
164.67755	0.8
165.09129	1.6
165.12749	2.3
167.10672	3.2
169.10107	8.9
170.10872	1.5
171.11668	28.3
172.12270	1.1
173.09592	3.3
173.13234	17.8
175.11157	9.0
175.14819	8.9
175.59706	1.0
177.12703	4.2
177.16422	1.0
179.10641	2.6
179.14296	3.1
181.10150	2.8
181.12218	10.3
182.10922	1.1
183.11664	6.6
185.09622	2.1
185.13239	28.2
187.11201	4.5
187.14818	14.2
189.09233	0.9
189.12686	6.3
189.16360	2.4
191.10652	2.7
191.14323	3.4
193.10255	1.0
193.12221	4.5
193.66933	0.9
195.11685	4.4
195.13843	3.1
197.13254	8.2
199.11168	3.5
199.14810	24.1
200.29779	0.9
201.12744	5.7
201.16353	5.2
203.10663	2.5
203.14339	6.6
205.12228	3.6
205.15813	6.4
206.10863	1.0
207.11731	2.3
207.13806	6.0
209.11566	1.5
209.13286	3.3
209.15154	1.5
211.11311	1.1
211.14790	4.5
213.12791	5.6
213.16429	1.6
215.14383	5.1
217.12242	2.6
217.15820	5.1
219.13811	2.2
221.13370	1.4
221.15408	2.1
223.14897	2.1
223.16911	2.4
225.12837	2.4
225.16406	2.4
227.14351	3.4
231.13808	5.9
231.20192	1.0
233.13232	1.4
233.15337	3.2
235.14867	1.3
235.16902	1.2
237.12624	1.3
237.16391	1.8
239.14404	1.2
239.17946	1.8
243.13931	1.5
245.15295	5.6
259.16879	1.5
261.16357	1.2
263.16266	1.8
269.19025	1.2
275.17746	1.1
277.19412	1.9
279.21118	1.2
281.19180	1.4
295.20755	2.2
307.20920	1.0
307.24240	3.0
313.21478	1.4
321.22134	3.9
323.23514	1.0
325.25156	3.2
331.24097	5.2
335.23758	1.1
339.23373	4.7
339.26703	1.1
349.25226	26.9
351.26929	3.9
353.24738	3.1
359.23578	4.4
367.26300	100.0
368.26904	2.3
369.27774	6.5
371.25665	1.4
377.24698	33.0
385.27325	51.7
386.27713	1.2
395.25769	58.6
396.25983	2.1
413.26843	41.8
413.32370	2.1
414.26755	1.4
431.27832	10.6
460.40387	1.0
467.14688	0.9
468.73184	0.9
508.32565	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	508.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.0
55.01865	12.4
55.05500	19.5
57.03424	23.8
57.07045	4.3
59.04984	4.5
60.19323	2.2
61.02917	12.4
67.05492	41.8
69.03416	42.3
69.07059	23.1
70.21944	11.9
71.01339	5.4
71.04971	9.5
71.08610	5.7
73.02906	66.3
79.05473	20.3
81.03412	16.3
81.07043	55.9
82.07372	2.4
83.04950	9.8
83.08605	14.6
85.02895	100.0
85.06519	16.5
87.04441	4.3
91.03931	3.3
91.05464	19.5
93.07024	28.1
93.09424	2.4
95.04943	11.7
95.08589	53.3
97.02879	63.0
97.06513	6.0
97.10154	25.4
99.04424	7.4
103.03913	5.9
105.07024	20.0
107.04929	4.8
107.08579	22.3
109.02859	8.9
109.06509	4.9
109.10136	74.4
111.04451	3.1
111.08062	3.1
113.09627	6.0
115.03910	28.4
117.05437	2.7
117.06953	5.7
119.08569	15.1
121.06516	4.9
121.10137	13.2
123.04447	6.4
123.08043	7.2
123.11690	49.6
125.09639	4.9
127.03896	29.1
127.11158	9.7
129.07021	5.8
131.08548	9.8
133.04930	27.7
133.10106	9.9
135.08069	3.6
135.11667	12.0
137.13240	8.2
139.03859	4.8
143.08524	3.0
145.04924	31.4
145.10100	13.6
147.04416	4.1
147.11659	9.7
149.09602	6.1
149.13226	7.9
150.07600	4.6
151.03891	2.6
151.07422	2.4
151.56888	2.8
153.12738	2.7
157.10063	4.9
159.11604	7.2
161.13194	5.7
163.06000	11.4
163.11200	8.6
169.10117	3.9
173.13274	4.1
175.14781	3.8
177.16350	4.1
179.17943	34.1
184.07396	2.4
185.13179	4.5
187.14868	3.3
189.12732	2.3
189.16360	2.9
191.17909	8.7
193.12065	2.7
197.13205	2.3
197.18962	24.2
199.05916	2.9
205.12315	2.6
207.13760	3.3
209.11681	5.8
209.18970	16.6
221.19061	4.4
223.05972	4.9
241.07103	8.7
259.08170	7.3
287.20023	3.3
293.21048	8.3
305.21072	6.7
341.23346	2.7
359.24176	7.7
367.24579	3.8
490.28485	2.9
508.29022	14.6
509.27350	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	508.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28462	0.2
65.03926	0.8
69.03408	1.1
71.01113	0.6
81.03386	0.6
83.04960	0.3
85.02890	0.6
91.05464	5.4
111.04384	0.3
115.26675	0.2
119.04925	17.3
120.30312	0.3
127.03838	0.3
129.05498	0.4
147.04385	100.0
148.04733	1.2
149.34645	0.2
165.05453	1.4
165.07567	0.8
183.08633	1.1
219.08946	0.3
220.97667	0.3
228.36568	0.2
291.08563	0.6
309.09601	3.4
311.11221	1.3
329.12347	1.2
404.08197	0.3
410.01157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.5
55.01870	2.1
55.05495	1.1
57.26154	0.7
67.05499	4.6
67.88084	0.9
68.57053	0.7
69.03423	7.0
69.07048	3.4
70.06593	1.0
70.40061	0.9
71.04976	2.5
71.62130	1.4
76.28149	0.7
79.05492	4.5
81.03410	10.3
81.07053	8.6
83.04969	2.2
85.02886	3.4
85.06535	3.8
89.03922	3.8
91.05460	3.0
93.07024	11.7
95.04954	2.9
95.08606	6.9
97.02873	3.2
97.06521	3.4
97.10134	0.9
99.04437	5.5
99.08083	1.4
102.32423	0.9
105.03359	1.1
105.07021	9.4
107.04955	1.2
107.08580	16.6
107.12546	0.8
109.02860	10.2
109.06499	4.2
109.10151	4.9
111.04415	1.0
111.08047	3.3
113.06009	1.1
115.03954	0.8
117.03345	13.1
117.07001	0.9
119.08570	4.3
120.39682	0.7
121.02841	2.3
121.06489	6.0
121.10129	10.6
123.04411	1.2
123.08039	3.2
123.11656	1.2
124.07537	1.0
125.05971	0.8
125.09586	1.3
125.65723	0.8
127.03894	8.5
127.07561	1.5
131.08525	1.3
133.10139	1.9
135.04443	1.6
135.08028	2.1
135.11676	4.4
137.05946	1.0
137.09576	7.9
139.11171	1.2
141.09081	0.8
145.02823	37.2
145.10091	9.0
146.03134	1.4
147.04384	3.3
147.08052	1.1
147.11678	2.7
149.05917	5.9
149.09579	5.1
151.03883	3.0
151.07530	3.3
155.10681	1.3
161.09576	1.3
163.03961	1.3
163.07468	0.9
163.11151	23.1
164.11456	1.1
165.09097	7.8
167.07021	1.2
167.10641	6.7
168.94334	0.8
169.08562	20.3
170.67194	0.8
173.09546	1.5
177.05440	100.0
178.05812	4.5
179.14241	1.7
181.12177	5.9
183.10143	1.0
185.11676	1.7
186.05453	1.5
191.10634	12.2
197.15401	1.1
201.11070	1.0
209.11650	12.6
219.10123	5.4
227.12749	32.9
245.13828	1.9
269.13818	3.2
277.10855	0.8
289.14240	2.9
291.12216	0.8
300.46747	0.8
309.13116	3.7
335.14957	4.7
347.54779	0.8
353.15967	13.8
371.17026	10.7
389.17947	1.8
424.52310	0.8
448.90747	0.8
466.63434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42799	3.4
55.05510	22.2
55.99645	3.5
57.07067	40.5
67.05498	43.2
69.07055	41.4
69.76707	27.2
71.08627	32.1
79.05471	21.7
81.07046	73.4
83.04968	11.0
83.08599	22.4
84.73540	3.5
85.06523	8.0
85.10157	13.8
87.31036	3.7
89.84913	3.9
91.05456	17.3
92.05753	4.4
93.07036	32.9
95.04921	4.4
95.08585	46.4
97.06530	14.2
97.10155	12.8
105.07007	17.7
107.08556	30.8
109.10123	24.7
111.08035	4.6
111.11708	8.1
115.07552	14.4
117.06989	6.7
119.08556	14.7
121.10098	18.6
123.11696	10.8
125.05970	11.1
129.05473	12.0
131.08530	9.4
133.10101	21.4
135.11668	16.7
137.13220	4.9
145.10138	9.4
147.11659	14.6
149.13237	17.5
154.85547	3.7
157.08572	47.7
159.11667	19.1
161.13261	6.0
163.14766	8.5
173.13246	7.7
175.11122	5.7
175.14796	4.9
187.14732	6.1
195.13741	6.2
207.13736	4.6
219.13727	4.1
221.15239	5.4
247.16985	5.2
275.27200	4.5
282.27545	3.6
289.21567	4.7
355.42648	4.6
391.62198	4.1
429.37268	16.6
447.38348	91.7
507.40271	100.0
515.45453	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	508.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	0.5
53.03919	1.6
55.05487	0.9
57.03412	0.5
61.02912	0.5
65.03913	2.5
67.05497	2.7
68.05824	0.7
69.03426	3.1
71.41695	0.5
77.03872	0.6
79.05473	6.4
80.05009	0.9
81.03405	3.6
81.05789	2.3
81.07028	1.2
82.06536	1.0
83.04945	1.8
85.02888	3.0
86.09668	0.5
89.03901	5.0
91.05467	1.0
92.04996	6.2
93.05749	0.5
93.07034	0.4
94.06506	0.6
95.04964	2.7
95.08565	0.7
96.08119	7.2
97.02844	1.4
99.04436	1.0
105.03361	0.8
105.06990	0.5
106.06539	37.8
107.04952	0.7
107.06830	0.6
108.08116	8.5
108.08836	0.8
109.02843	2.1
109.05213	1.4
109.06522	0.6
109.10130	4.2
110.10471	1.1
111.04414	1.1
111.10348	0.5
112.04740	0.5
117.03359	15.6
119.08574	0.6
121.06458	2.6
122.06025	0.8
123.06792	6.1
124.07570	30.9
125.02322	0.6
125.07828	0.6
129.05417	0.9
134.03662	1.1
134.05997	26.4
135.04425	0.7
135.08034	0.8
136.07541	1.8
137.05910	0.9
137.09601	6.3
138.09940	3.2
145.02821	48.7
147.04393	0.9
148.07556	0.6
149.05952	6.1
151.03853	1.8
152.07039	69.5
153.07681	0.5
155.10646	0.7
160.07657	0.5
163.03830	0.6
164.10709	0.8
165.09090	4.0
166.09451	2.2
170.08095	52.6
177.05440	100.0
178.05766	2.2
186.05414	2.3
191.07071	0.5
201.11046	0.7
204.06438	0.9
236.51741	0.5
239.09431	0.7
250.08594	1.3
265.03305	0.6
266.07919	0.6
267.08850	0.9
268.09564	0.5
282.11240	2.7
295.08325	0.8
310.10675	2.8
312.15283	0.7
314.12320	2.0
321.09680	4.5
328.11703	1.5
328.22659	0.6
329.15820	1.0
332.13370	9.2
339.10638	3.5
346.12512	0.5
445.81110	0.5
472.16055	1.0
490.17044	24.4
491.17319	1.0
508.18085	70.7
508.28683	2.8
509.18503	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.03944	7.2
55.01862	6.1
55.05254	1.2
55.05503	13.6
57.03411	3.8
57.07062	7.1
59.04977	2.5
61.02919	2.1
65.03918	1.4
67.05491	22.9
69.03416	16.2
69.07054	30.2
69.52168	7.6
71.04998	4.8
71.08611	1.5
74.02423	4.5
77.03896	1.5
79.05058	1.1
79.05479	16.0
81.03403	19.5
81.07041	80.6
82.07368	1.7
83.04967	6.1
83.08607	10.9
85.02889	19.1
85.05994	1.2
85.06525	28.7
91.05467	15.2
93.07028	46.8
94.07347	1.5
95.04953	13.5
95.08588	54.2
97.02869	14.2
97.06519	6.8
97.10144	5.6
97.66898	1.0
99.04431	3.7
99.08073	31.1
101.05979	1.5
103.05437	1.5
105.03373	100.0
105.04495	2.9
105.07008	11.3
106.03699	2.9
106.92310	0.7
107.04916	1.6
107.07854	1.1
107.08577	25.7
109.02870	11.5
109.06522	4.2
109.10135	40.9
111.04430	0.8
111.08061	31.3
111.11694	7.3
113.05968	0.8
113.09608	3.3
117.03311	1.0
117.07005	3.9
119.04893	3.3
119.08546	7.5
121.02882	7.8
121.06483	50.5
121.10119	19.9
122.06820	1.5
122.10416	1.2
123.04410	13.4
123.08029	2.6
123.11681	22.1
125.09624	7.3
125.13184	1.4
127.03893	13.4
127.07524	6.1
127.11182	9.2
129.06973	2.1
131.08540	4.2
133.06558	1.4
133.10107	7.2
135.04292	1.3
135.08054	6.3
135.11668	12.5
137.09596	12.7
137.13208	7.4
139.03841	1.8
139.07512	3.1
139.11130	5.2
143.08539	1.5
145.02827	3.1
145.04945	5.5
145.10077	3.9
145.12190	1.4
147.04387	5.3
147.07977	2.8
147.11670	4.5
149.05968	2.3
149.09602	12.4
149.13232	20.4
151.03940	1.0
151.07498	1.2
151.11125	1.8
151.14803	2.6
153.12677	2.2
155.10609	2.5
155.14262	1.8
157.10078	2.6
159.08040	1.0
159.11664	7.4
161.09570	1.7
161.13202	2.2
162.10149	1.1
163.03859	1.6
163.06020	1.2
163.07489	3.0
163.11142	4.0
163.14781	8.2
165.09073	9.1
165.12750	1.2
165.16310	1.6
167.07016	1.5
167.14294	4.4
170.11734	1.5
173.13176	0.9
175.11166	5.3
175.14882	1.7
177.05492	6.6
177.09097	1.2
177.12654	2.6
177.16275	4.6
179.10521	1.7
181.08546	1.7
181.15855	1.5
187.11121	6.2
189.12756	1.4
191.03394	1.4
191.10603	1.3
191.17914	2.2
193.12268	4.3
203.17844	1.3
205.12192	29.9
205.19432	5.9
206.12558	1.4
217.19456	1.9
223.13240	33.8
223.20528	13.0
224.13689	1.8
228.01521	1.0
235.20528	1.0
241.14357	1.5
241.21667	3.4
249.07549	21.4
250.07869	1.2
261.25647	1.0
267.08582	21.0
268.08868	1.3
273.25684	2.8
279.26425	1.0
291.26761	16.2
297.27808	1.0
303.04971	5.6
309.13260	2.6
309.27820	71.6
310.28085	1.4
327.14502	1.3
327.23605	2.4
344.24200	1.2
345.24417	5.4
345.29654	0.9
402.90826	1.0
407.04221	0.9
466.15622	0.9
505.43057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01858	3.9
55.05499	23.0
57.03422	3.5
57.07059	11.3
67.05495	39.9
68.43176	1.8
69.03400	5.1
69.07057	48.8
71.04979	6.6
71.08614	3.7
79.05480	27.8
80.05820	1.7
81.03396	4.8
81.07043	100.0
83.04963	4.6
83.08602	21.6
85.02879	6.9
85.06543	10.2
85.10165	2.8
91.05470	20.9
93.06457	3.6
93.07024	53.3
95.04970	9.4
95.08589	96.7
97.06499	8.1
97.10149	18.9
99.04453	1.9
99.08064	5.6
105.03357	2.6
105.07023	26.8
107.04939	4.3
107.08575	43.6
109.02844	2.9
109.06496	5.1
109.10136	57.1
111.04446	4.3
111.08068	6.6
111.11688	11.8
112.74370	1.6
117.06997	4.7
119.04900	2.1
119.08540	22.8
121.02868	2.0
121.06471	6.1
121.10118	33.8
122.10442	2.1
123.04404	6.0
123.08023	5.6
123.11687	27.2
125.05978	3.0
125.09624	5.9
125.13203	5.2
127.03888	2.3
127.11205	2.0
129.06989	3.8
131.08566	5.9
132.27620	1.7
133.06525	2.0
133.10107	19.4
135.08014	5.8
135.11678	22.8
137.05997	3.9
137.09581	5.2
137.13232	13.7
139.03867	3.9
139.11116	3.9
143.08539	2.9
145.02834	1.9
145.10117	8.8
147.04385	6.0
147.08022	2.2
147.11699	13.5
149.09604	5.4
149.13234	35.8
150.09167	1.9
150.13474	1.9
151.11124	2.1
151.14799	6.2
153.01817	16.6
153.12656	2.2
155.01120	1.7
155.10643	3.5
155.14238	2.2
157.10071	5.6
159.11655	5.5
161.05920	1.6
161.09605	2.5
161.13249	9.5
163.03946	2.1
163.07368	1.9
163.11118	3.2
163.14787	16.9
165.09128	5.7
165.12694	3.8
165.16345	3.1
169.10091	1.9
171.11655	2.7
173.13251	2.1
175.04004	1.7
175.11183	4.0
175.14777	6.3
177.05446	4.5
177.16388	10.9
178.16653	2.1
179.14217	2.2
179.17827	3.3
181.15948	1.7
183.11594	3.0
185.13191	3.3
187.14778	2.6
189.12741	3.6
191.10826	2.2
191.17938	5.1
193.12234	3.8
203.17838	3.2
209.11761	3.1
217.19434	3.2
229.64969	1.8
241.10738	1.9
259.05200	1.9
261.25723	3.5
273.25653	14.5
275.20044	2.3
279.26749	12.5
291.26770	27.9
297.27859	6.4
303.04758	2.6
309.27835	24.1
327.28830	2.9
349.23413	3.1
369.23813	1.9
383.14905	2.7
461.32660	2.0
471.31195	2.9
507.15665	2.4
507.29077	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	507.2947
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.03932	7.9
55.01865	21.5
55.05256	2.5
55.05505	36.7
57.03428	9.8
57.07075	9.0
60.86668	1.7
61.59581	1.7
65.03938	5.5
67.05498	87.8
69.03408	5.5
69.07060	20.6
69.60385	14.1
71.04976	4.9
73.02880	2.6
73.06518	1.7
73.10932	1.7
78.76614	1.8
79.05483	100.0
81.03408	29.3
81.06573	3.2
81.07047	59.3
82.04183	11.7
83.04973	25.6
83.08607	14.9
84.05721	2.0
85.02903	3.3
85.06538	3.7
91.05469	72.9
93.07032	79.6
93.07623	4.0
94.04156	2.7
94.07843	2.1
95.04956	38.2
95.08595	36.7
97.02880	7.1
97.06525	12.5
97.10144	7.1
98.07296	6.8
99.04433	3.7
99.08065	2.2
101.06001	2.4
103.05445	1.8
105.07014	51.0
107.04946	18.2
107.08582	34.3
109.06492	13.9
109.10139	20.8
109.10828	2.5
111.04423	5.7
111.08064	5.4
116.04739	2.4
117.07011	17.6
119.08559	34.5
121.06522	8.6
121.10120	12.5
123.08025	12.9
125.09628	11.6
125.10410	1.9
127.07519	3.0
127.11224	2.0
128.06227	4.7
129.05492	2.9
129.06990	22.1
130.07817	2.9
131.08575	12.1
133.06526	2.5
133.10123	14.8
135.08069	4.6
135.11700	12.3
137.09619	3.8
139.07393	1.8
142.07709	2.0
143.08548	10.1
145.06432	3.9
145.10100	21.3
147.08025	4.9
147.11668	46.4
149.09590	3.9
153.12737	5.6
156.09340	2.1
157.10129	6.1
159.11632	3.7
161.09587	4.9
161.13226	16.5
163.11148	19.4
171.06546	6.4
171.11673	34.5
173.09653	2.1
173.11783	3.4
175.11256	3.1
178.13454	2.2
181.12257	5.4
184.07277	2.2
185.08125	2.5
189.11311	2.2
189.12741	13.6
191.10675	5.2
193.12222	2.3
199.13339	2.0
206.13052	2.4
207.13770	36.8
209.11684	7.8
210.12302	2.2
211.13239	2.8
212.61446	1.9
225.14882	5.2
227.12682	10.0
234.99010	2.1
241.14294	2.0
253.14462	2.4
255.15887	2.9
265.14352	3.9
281.17419	17.5
283.15305	21.0
335.18524	4.9
355.09247	1.8
405.26431	2.2
406.26917	3.9
435.27454	17.3
489.28476	25.3
490.29251	4.2
507.22394	3.8
507.29492	60.6
526.92169	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98120	1.7
53.03929	5.4
55.01855	12.5
55.05503	27.3
57.03428	13.7
57.07058	1.9
59.04994	3.0
65.03934	4.2
67.05495	53.7
69.03409	4.0
69.07059	16.1
69.47083	13.8
71.04974	5.3
73.06573	1.9
79.05481	73.1
81.03410	19.6
81.07045	57.1
83.01319	9.0
83.04969	24.4
83.08598	14.9
85.02879	5.7
85.06526	5.0
88.62440	1.7
91.05463	62.2
93.07028	73.6
95.04960	29.0
95.08038	2.7
95.08588	29.7
95.38015	1.7
97.02899	3.1
97.06506	6.6
97.10121	7.6
99.04435	2.6
99.08102	2.4
103.18800	1.8
105.04484	2.7
105.07015	44.1
107.04948	14.7
107.08583	28.7
109.06480	12.6
109.10136	6.9
111.04416	5.7
111.08063	4.7
115.05436	2.8
117.06995	15.8
119.07795	2.2
119.08572	30.4
121.06467	5.8
121.10121	12.9
123.04423	1.6
123.08036	13.7
125.09590	3.5
127.07552	1.9
128.06177	3.0
129.07001	13.5
130.07738	2.7
131.08540	9.5
133.10088	12.4
135.08070	4.4
135.11658	13.5
137.09584	3.7
141.09125	2.5
143.08553	12.1
145.06491	3.5
145.10107	24.7
147.08026	4.4
147.11668	35.1
149.09677	2.6
153.12704	4.1
155.08572	2.5
157.10104	3.9
159.11658	3.1
161.09596	4.8
161.13271	11.1
163.11154	21.9
169.10034	2.3
171.11664	29.2
173.09518	3.0
181.12247	4.7
189.12660	12.2
191.10672	4.9
202.16621	1.7
207.13783	30.6
209.11720	9.6
211.13326	2.2
223.13245	4.1
227.12709	8.4
265.14120	2.4
267.15872	2.7
281.17432	48.2
283.15359	71.6
283.18478	4.1
385.86856	1.8
471.27139	5.8
489.28348	100.0
507.29019	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	507.2794
Annotation	Myrsinionoside E
Peak:m/z	Relative Intensity
55.01851	2.8
55.05505	4.4
57.03421	4.4
57.07054	1.2
59.04980	0.8
61.02900	3.1
67.05485	2.3
69.03416	12.4
69.07057	7.8
70.77175	2.0
71.01351	1.0
71.04965	2.3
73.02907	9.4
79.05474	3.5
81.03409	2.2
81.07042	9.3
83.08618	6.0
83.86443	0.7
85.02417	1.5
85.02893	21.2
85.06516	2.1
87.04475	1.3
91.05431	2.0
93.07049	7.4
95.08590	22.6
97.02882	13.2
97.10139	3.4
99.04441	1.1
99.08074	9.2
105.06995	3.2
107.08582	23.1
109.02853	2.7
109.10139	5.1
111.08053	5.0
113.09586	1.1
115.03880	4.5
118.29009	0.9
121.10122	37.8
122.10510	1.2
123.11656	0.9
125.09602	4.6
127.03883	6.9
133.04956	7.1
135.08038	1.2
135.11688	8.5
137.13239	4.3
139.11124	0.8
145.04933	8.3
147.04362	2.6
149.13228	3.0
163.06012	4.7
177.16357	100.0
178.16745	1.6
195.17426	24.1
213.18463	47.0
217.07022	0.9
223.05963	1.7
241.06995	1.7
259.08093	2.4
303.04987	1.1
317.32718	1.2
511.92062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01868	1.3
55.05509	10.0
57.03425	7.0
57.07063	1.3
61.92026	0.8
65.03922	1.1
67.05499	35.8
69.03438	0.8
69.07061	8.7
69.85970	5.7
75.04484	1.6
79.05482	25.6
81.07046	31.2
83.04980	1.1
83.08608	4.7
85.06576	1.6
91.05473	15.2
93.06459	1.6
93.07035	25.8
95.04953	2.8
95.08595	27.3
97.06527	1.1
97.10143	1.8
98.20734	1.6
98.98454	37.5
100.34265	0.9
105.07010	10.5
107.08583	15.2
109.06503	1.2
109.10145	11.7
116.99455	0.8
117.06995	3.0
119.08566	7.7
120.76531	0.8
121.10126	9.9
123.08035	1.6
123.11705	3.2
129.33253	0.9
131.08542	5.6
131.32890	0.8
133.10121	5.7
135.11656	8.7
137.13249	1.2
145.10094	4.0
145.20293	1.0
147.11671	6.5
149.09653	1.3
149.13275	5.1
151.14853	1.0
155.01010	14.8
155.02177	1.2
159.11717	3.6
161.13237	2.8
163.14842	2.2
171.11652	1.1
173.02078	6.6
173.13240	3.7
175.14786	1.4
187.14877	1.5
201.16234	1.3
229.04733	2.3
243.21031	5.4
247.05824	3.1
261.22141	9.7
273.28110	0.9
317.24792	6.7
335.25748	100.0
336.26157	2.3
410.27765	0.9
415.22235	1.2
471.25089	5.0
507.35043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.0
55.05509	10.1
56.24105	1.0
57.03428	7.2
57.07060	1.0
60.81568	1.0
65.03927	1.7
67.05491	37.7
69.07056	11.9
71.04967	1.5
71.62935	1.4
71.63315	1.0
79.05061	1.8
79.05478	26.4
81.06582	1.8
81.07044	34.7
81.33537	1.0
83.04937	2.9
83.08614	4.6
85.06538	1.2
86.09671	4.1
91.05458	16.0
93.06464	2.0
93.07027	33.9
95.04926	3.2
95.08584	27.6
97.06501	2.3
97.10149	2.0
97.27234	1.0
98.98445	36.2
99.08010	1.2
105.04507	1.0
105.07014	14.4
107.08572	14.5
109.06495	2.1
109.10138	10.5
113.73756	1.0
116.94069	1.0
116.99445	1.4
117.06969	3.1
119.08554	12.6
121.10128	10.4
123.11681	4.3
124.99987	2.1
125.09624	1.5
129.07005	1.6
131.08562	6.6
133.10088	7.8
135.11655	7.9
137.09506	1.1
145.10080	7.2
147.11659	6.0
149.13301	5.3
155.00983	14.2
157.10088	2.2
159.11700	5.0
161.13213	4.4
163.11224	1.5
163.14793	2.0
171.11548	1.3
173.02106	5.2
173.13231	3.4
175.14819	2.0
184.07315	8.6
185.13162	1.4
187.14809	1.9
189.16315	1.3
211.03700	1.2
213.93211	0.9
221.15207	1.7
229.04689	2.8
243.21077	6.6
247.05661	2.7
261.22055	11.9
317.24719	6.5
329.32565	1.0
335.25726	100.0
336.25974	2.2
385.49976	1.0
394.74078	1.2
471.24908	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	507.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13013	0.6
53.03936	2.9
55.01875	1.1
55.05507	6.1
57.03429	1.7
57.07058	2.4
61.02891	0.9
65.03902	3.5
67.05499	7.7
69.03419	11.3
69.07058	14.7
71.04977	2.5
71.08611	0.9
71.62590	1.0
74.02425	1.6
79.05475	5.7
81.03411	9.8
81.06567	1.8
81.07047	30.5
83.04965	2.8
83.08609	4.2
85.02898	7.8
85.06536	6.9
91.05475	5.1
93.07038	8.7
93.41435	0.7
95.04951	8.6
95.08591	19.2
97.02873	7.8
97.06522	3.4
97.10155	1.8
99.04465	2.3
99.08083	14.4
101.06077	1.0
105.03417	0.9
105.07025	6.3
107.04967	1.2
107.08593	10.2
109.02853	4.6
109.06504	2.7
109.10141	19.0
111.04436	2.2
111.08055	2.6
111.11693	3.4
117.03337	0.9
117.06956	1.3
119.04951	1.0
119.08577	4.7
121.02856	100.0
121.06468	1.4
121.10119	6.2
122.03215	0.8
123.04408	3.8
123.08051	1.5
123.11691	9.1
125.09624	1.3
127.03928	5.2
127.11209	2.1
131.08539	1.2
133.06483	2.0
133.10117	8.0
135.04449	0.9
135.08067	2.8
135.11674	5.6
137.05966	3.2
137.09587	6.3
137.13234	4.1
139.03886	18.0
139.11177	6.7
143.08582	0.7
145.02861	1.2
145.04930	2.4
145.10072	1.6
147.04384	8.3
147.08008	1.8
147.11678	5.1
149.13216	6.0
151.07535	1.4
153.12746	2.8
155.14362	1.2
159.11644	1.7
161.09544	1.0
161.13264	3.0
162.05515	5.1
163.03935	2.0
163.05856	3.2
163.07539	2.2
163.11211	2.0
163.14841	2.2
165.01826	0.8
165.09120	2.4
165.12714	1.6
167.20750	0.7
171.11717	2.1
171.13911	1.0
174.10341	1.1
177.05481	3.0
177.16473	1.1
178.05711	0.9
181.04884	1.3
181.08574	0.9
182.43573	0.8
189.12732	6.0
205.19542	3.8
207.13783	20.3
208.14159	0.8
217.19449	1.0
221.18967	1.3
223.20541	9.1
225.14778	7.5
241.21594	2.1
265.07001	10.6
273.25766	0.9
279.26932	1.2
283.08127	13.0
291.26776	4.6
297.27765	1.2
298.44858	0.9
303.05011	1.6
309.27753	5.6
313.23312	0.9
315.28845	0.8
327.23331	1.7
473.70807	0.8
507.17419	1.4
527.67529	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.7
54.31391	0.6
55.01852	2.4
55.05503	5.6
57.03423	4.8
61.02919	2.5
65.03909	1.4
67.05499	27.4
67.05862	1.4
67.19477	0.6
69.03421	20.5
69.07056	1.6
71.04972	2.2
71.58135	0.8
73.02909	0.7
79.05478	4.2
81.03408	9.5
81.07047	14.5
83.04971	11.6
85.02891	9.8
86.09682	0.9
87.04459	2.1
89.03909	1.7
91.03940	1.6
91.05474	2.9
92.05000	1.1
93.07030	5.2
95.04946	4.9
95.08588	8.9
97.02880	8.1
99.04450	3.2
99.08130	0.8
105.03410	0.6
105.07038	1.1
106.06558	5.0
107.04951	1.0
107.08581	4.5
108.08111	1.4
109.02861	2.1
109.06520	3.4
109.10143	60.2
110.10509	0.8
111.04433	17.8
111.08087	0.7
115.03898	1.4
115.05499	0.7
117.03374	4.4
117.07010	0.9
118.03712	0.8
119.08550	4.3
121.02819	1.2
121.06477	0.7
121.10128	3.0
123.04382	0.7
123.06796	1.4
124.07584	4.3
125.02326	4.5
125.05950	3.2
127.03903	2.3
129.05461	14.5
134.05962	3.6
135.08057	4.4
137.09599	100.0
138.09903	1.2
145.02831	10.3
146.03152	1.8
147.04420	1.6
147.06520	3.5
147.08037	1.1
149.06018	1.8
152.07039	7.8
155.10660	10.6
163.07448	3.2
165.09091	72.3
166.09454	1.0
167.06966	0.8
170.08092	6.1
177.05444	19.5
178.05775	6.0
181.08572	1.2
183.06406	0.6
183.10132	8.2
201.11200	14.9
219.12268	0.7
235.59480	0.7
279.12277	0.8
281.10083	0.9
297.13315	8.2
311.14810	8.3
315.14435	3.5
325.12714	5.0
329.15930	13.9
332.13330	0.9
343.13818	15.5
361.14633	1.1
470.74344	0.7
476.19485	0.8
489.19516	4.8
490.17188	2.5
507.19815	2.5
507.27158	0.9
508.18219	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	507.1704
Annotation	CHEBI:69792
Peak:m/z	Relative Intensity
52.05498	0.3
69.03424	2.6
70.77197	1.1
74.05634	0.3
79.05499	0.4
80.72904	0.3
81.03396	1.9
85.02881	1.9
89.03898	3.8
99.04486	0.8
107.04942	1.3
109.02856	0.7
117.03369	5.8
120.99900	0.4
127.03823	0.5
129.05441	0.5
135.04404	12.9
135.08044	0.4
138.09212	0.3
143.89584	0.3
145.02834	8.5
147.04399	0.5
163.03885	100.0
164.04274	0.5
165.07559	0.7
181.04909	2.0
183.08647	0.9
191.14259	0.7
209.15221	0.4
219.24312	0.4
227.31256	0.3
307.08130	2.1
325.09106	4.2
345.13577	1.4
361.64908	0.4
445.05859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14113	0.2
53.03939	0.2
55.05499	0.3
57.03424	0.4
61.02903	0.2
63.02338	0.3
65.11539	0.2
69.03419	1.9
70.06564	0.6
70.79916	0.2
70.80264	0.6
71.04968	0.3
79.05477	0.5
81.03407	1.9
83.04975	0.6
83.21577	0.2
85.02890	1.8
89.03900	3.7
91.05476	0.6
95.04936	0.5
95.08549	0.2
95.50373	0.2
97.02863	0.7
99.04444	0.6
107.04956	1.4
107.08564	0.6
109.02855	0.8
109.10120	0.4
111.04408	0.7
112.07590	0.4
117.03360	5.2
119.04925	0.5
120.31718	0.2
123.04377	0.3
127.03890	0.5
129.05437	1.0
132.86090	0.2
135.04390	13.2
135.07999	0.6
136.07474	0.2
137.05949	0.3
137.09601	0.5
140.06958	0.3
145.02817	9.2
147.04362	0.9
147.06487	0.6
148.04710	0.2
153.09079	0.3
163.03870	100.0
164.04210	1.2
165.07590	0.5
167.06998	0.2
178.04922	0.5
181.04892	2.2
183.08578	0.9
188.75781	0.2
206.04451	1.0
211.10762	0.3
213.09007	0.6
224.57059	0.2
307.08081	2.0
325.09116	4.2
345.11798	0.3
443.18948	0.3
507.16260	0.4
520.21967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1127
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03937	2.9
55.01854	0.9
57.03421	0.7
61.02897	1.0
68.99792	0.5
69.03418	9.2
69.60023	1.9
69.60450	1.1
71.04982	0.8
71.22991	0.3
73.02900	1.3
79.42990	0.4
81.03406	11.7
81.07017	0.4
82.13344	0.3
85.02885	5.4
95.04924	0.5
95.08611	0.7
97.02882	5.5
99.04426	2.0
99.45885	0.4
105.07017	0.4
107.08586	0.6
109.02866	10.3
109.10133	0.6
111.00787	0.8
115.03870	0.5
121.02819	0.4
123.08067	0.4
127.03898	7.4
137.02328	2.4
139.03838	0.4
145.04944	1.3
153.01773	3.4
163.03871	0.7
165.01855	2.0
181.91179	0.3
187.06003	8.8
201.05458	1.3
211.16806	0.5
229.04979	3.1
247.05936	0.5
248.16327	0.4
257.04346	2.7
274.04636	0.4
285.03772	1.0
303.04944	100.0
304.05322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1128
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03935	2.8
55.01862	1.1
55.05495	0.5
57.03429	1.2
61.02912	1.0
62.83103	0.2
65.03922	0.2
67.01824	0.2
67.05482	1.0
68.99776	0.6
69.03418	10.2
69.07041	0.6
70.06567	0.3
71.01311	0.2
71.04959	0.8
71.62479	0.3
72.08130	0.2
72.23614	0.2
72.66990	0.2
73.02898	1.1
79.05473	0.7
80.69375	0.2
81.03402	12.8
81.07033	1.4
83.04966	0.7
85.02891	6.1
85.06518	0.8
87.04420	0.2
91.05466	0.8
93.07036	1.4
95.04937	0.7
95.08598	1.0
97.02266	0.4
97.02872	5.9
97.06519	0.4
99.04434	2.3
99.08076	0.3
103.03921	0.4
103.05442	0.5
105.07008	1.2
107.04922	0.5
107.08559	1.4
109.02861	8.7
109.06493	0.4
109.10133	1.1
111.00761	0.7
111.04387	0.3
115.03904	0.6
115.05484	0.2
117.03325	0.4
117.06982	0.4
119.04925	0.6
119.08570	0.9
120.08843	0.2
121.02874	1.6
121.06480	0.4
121.10151	1.0
123.04404	0.7
123.08044	0.4
123.11695	0.2
125.09584	0.4
127.03895	8.0
129.05431	0.5
129.07007	0.2
131.04866	0.8
131.08565	0.5
133.04921	0.2
133.10127	0.4
135.08028	1.2
135.11678	0.5
137.02312	3.0
137.05948	1.1
137.09589	0.9
138.05475	0.2
139.03899	0.3
145.02841	1.1
145.04922	1.8
145.10106	0.5
146.03230	0.4
147.04379	3.0
147.11652	0.4
149.02299	0.6
149.09575	0.2
151.03853	0.3
151.11230	0.3
153.01805	8.9
155.10735	0.4
157.10052	0.2
161.05969	0.7
161.09624	0.4
163.03876	1.2
163.07547	0.9
163.11185	0.6
165.01845	1.7
165.09062	0.7
166.02606	0.4
167.06982	0.2
171.02919	0.3
173.05969	0.3
173.13202	0.2
175.07553	0.2
177.05414	2.4
177.16350	0.9
178.05830	1.5
179.03357	0.3
181.12141	0.4
183.02853	0.8
183.13795	0.2
187.05988	7.6
192.10329	0.2
195.02832	0.2
195.13921	0.2
195.17419	0.2
201.05371	1.5
205.06993	0.5
213.18478	0.5
227.12683	0.4
229.04907	3.9
247.05978	0.6
257.04385	2.6
273.07516	8.8
274.04697	0.7
275.05542	0.2
285.03925	1.2
303.04938	100.0
304.05316	1.5
313.11786	0.6
319.04449	0.9
344.46722	0.2
345.06061	0.5
447.17728	0.3
455.38214	0.2
475.16885	0.8
507.19641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93078	3.4
55.05491	16.4
57.03429	5.4
57.07061	5.9
58.70966	3.2
67.05490	39.3
67.14101	3.6
69.03420	5.1
69.07042	17.6
79.05470	30.7
81.07044	86.4
83.04943	4.7
83.08603	11.3
85.06525	17.6
88.07620	6.2
89.16206	4.0
91.05461	31.1
93.07025	65.4
95.08592	73.1
97.06517	8.5
97.10161	4.7
98.20605	7.7
105.07014	100.0
107.08575	69.9
109.06492	4.4
109.10131	44.1
111.08045	7.9
111.11683	4.1
114.89011	3.6
115.05351	4.4
117.06995	20.5
119.08561	71.4
120.08942	4.3
121.10124	51.9
123.11691	32.7
128.06192	7.0
129.06960	16.4
131.08548	62.7
132.09348	4.3
133.10103	71.1
135.08025	5.8
135.11664	38.2
137.09561	4.9
137.13211	4.7
142.07753	10.1
143.08556	37.6
144.09297	6.0
145.10098	62.2
147.07974	5.8
147.11665	63.5
148.12027	4.5
149.09581	7.0
149.13239	47.8
155.08522	10.7
156.09256	4.6
157.10114	52.1
159.11667	82.4
159.12976	5.3
161.13229	84.0
163.11192	7.5
163.14761	26.4
165.12625	5.9
169.10114	12.9
171.11679	30.7
173.13217	37.1
175.11159	7.9
175.14769	23.8
177.12723	4.5
177.16307	11.1
179.10596	3.7
179.14297	8.9
181.10091	5.7
183.11674	15.8
185.09615	4.4
185.13219	34.1
187.11134	5.2
187.14760	35.3
189.12648	6.0
189.16344	14.5
191.10577	5.5
193.12201	5.0
197.13240	10.8
199.14767	23.4
201.12624	5.9
201.16336	18.6
203.10617	12.1
203.14311	11.2
203.17931	8.5
204.32501	4.1
205.12169	6.8
205.15843	7.3
207.13773	8.4
209.11711	9.0
209.13390	5.1
211.14792	7.8
213.12697	4.6
213.16270	9.3
217.12160	14.9
217.15804	6.5
219.13872	7.4
219.17435	14.4
225.16171	5.7
227.17905	6.0
228.23221	7.7
231.13780	30.3
233.15350	6.3
239.17973	5.6
245.15398	12.9
247.16505	4.6
253.19510	5.3
257.15268	4.2
263.16330	6.9
309.25607	9.9
327.26810	4.6
337.25183	8.0
347.27240	15.1
355.26236	91.5
365.28339	43.1
372.82538	3.8
373.27292	51.1
375.26709	6.3
383.29312	31.0
393.27762	60.7
411.28973	50.7
429.29831	15.5
506.35315	26.6
506.41650	26.3
507.29657	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	506.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.4
53.28981	2.4
53.82307	2.3
55.05499	10.9
63.88405	2.1
67.05489	29.3
68.05824	2.6
69.07057	14.0
71.04957	4.0
71.06334	5.8
79.05489	19.0
81.07035	46.9
83.08604	7.7
85.06530	29.1
85.85242	2.7
91.05466	24.3
93.07029	44.5
95.04975	3.1
95.07972	2.9
95.08584	49.1
97.10140	3.7
105.07013	87.8
107.08579	48.2
109.06493	3.0
109.10139	18.8
117.07021	14.0
119.08559	67.6
121.10114	31.3
123.11679	6.5
125.86785	3.0
129.07004	13.6
131.08546	48.5
133.06444	2.2
133.10104	55.2
135.11690	19.8
137.09663	3.0
141.06978	3.0
142.07765	5.9
143.08540	31.1
144.09340	2.7
145.10094	56.0
147.11678	48.2
149.09494	3.8
149.13219	37.8
155.08548	10.4
157.10114	48.1
158.10793	2.5
159.11671	69.8
161.09659	3.0
161.13232	83.9
162.13496	2.3
163.11171	7.2
163.14796	20.8
165.12759	6.3
169.10080	17.7
171.11676	29.2
172.50963	2.2
173.09578	3.1
173.13255	29.7
175.11142	6.4
175.14813	21.9
177.12650	5.5
177.16333	12.0
179.14288	7.1
182.10558	2.6
183.11671	9.2
185.09616	3.2
185.13234	28.0
186.13669	2.4
187.11191	5.9
187.14766	38.3
189.09145	3.0
189.12698	4.1
189.16344	10.8
191.14304	7.1
195.10132	3.2
195.11647	5.2
195.38052	2.4
197.13194	5.8
199.14790	23.0
201.12811	3.7
201.16438	13.7
203.10640	5.3
203.14288	5.3
203.17906	7.1
205.12152	3.0
205.15866	8.0
207.13690	3.4
209.11586	4.8
209.13411	4.9
211.14764	5.8
213.12726	3.5
213.16374	3.5
215.14326	4.5
215.17764	2.6
217.12224	9.9
217.15948	4.9
219.13760	4.9
227.17860	3.4
231.13815	17.8
233.15376	5.0
237.16333	4.2
239.17854	4.0
241.19582	3.2
243.13811	4.0
245.15317	10.2
249.14766	6.4
263.16293	3.3
297.18628	2.8
325.18903	2.4
347.27231	15.6
365.24234	4.4
365.28375	46.8
367.29944	3.2
368.43286	2.9
375.26846	7.3
383.29407	38.4
393.27829	100.0
394.28152	4.6
411.28906	78.4
412.29129	2.7
429.29968	31.2
456.75107	2.9
506.34540	16.5
510.00787	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.9
55.74028	0.5
56.05024	1.3
56.52264	0.5
57.03417	1.4
57.07059	0.7
58.06579	1.3
60.08158	17.1
60.08466	0.9
65.03949	0.6
67.05495	10.6
69.07058	3.7
70.06599	0.5
71.04977	0.6
71.07372	5.8
71.63104	0.7
79.05482	4.5
81.07047	11.7
83.08607	1.9
85.02872	0.7
85.06535	4.2
86.09697	49.4
90.27106	0.5
91.05462	5.1
91.26650	0.5
92.05846	0.8
93.07037	7.8
94.07357	0.7
95.04957	0.8
95.08592	10.5
97.06500	1.3
97.10124	0.9
98.98452	3.3
99.08109	0.8
104.10730	99.7
105.07011	10.4
106.07312	0.6
107.08571	6.6
108.08920	0.7
109.06502	0.7
109.10140	6.5
110.10484	0.8
111.04430	0.6
111.08078	0.7
117.06982	2.6
119.08563	8.6
121.10130	5.3
122.10441	0.5
123.08065	0.8
123.11665	1.3
124.99986	26.4
125.09634	0.5
128.06223	0.6
129.06989	1.5
131.08548	5.5
133.10118	7.8
134.10403	0.7
135.11687	3.5
137.09712	0.5
137.13283	0.8
142.07718	0.7
143.08534	3.4
145.10103	6.7
147.11653	7.4
148.12003	0.5
149.09625	1.0
149.13237	4.4
155.08540	1.5
157.10114	6.2
159.11679	7.3
160.12117	0.5
161.13234	9.9
163.01523	0.6
163.11180	1.2
163.14848	1.5
165.09258	0.6
165.12704	0.8
169.10101	1.8
171.11658	4.7
173.11761	1.0
173.13252	4.4
175.11133	1.1
175.14806	2.3
177.12750	0.8
177.16399	1.9
179.14319	0.7
184.07321	100.0
185.07666	0.8
185.13225	3.9
187.14777	4.2
189.12801	1.0
189.16371	1.3
191.10667	0.9
191.14250	0.6
197.13194	1.1
199.14780	2.1
201.16344	1.6
203.10579	0.8
203.17970	1.2
205.12228	0.7
205.15843	1.1
211.14803	0.6
213.12762	0.6
213.16373	0.8
217.15825	1.2
217.19432	1.0
225.16260	0.7
229.12300	0.8
229.14322	1.9
230.14697	0.7
231.13875	2.5
235.20491	1.0
241.19547	0.6
242.19852	1.1
245.15268	0.9
258.10938	1.0
259.20566	1.1
260.20813	1.6
269.15073	0.6
323.25790	1.0
334.24509	1.5
334.81073	0.6
347.27203	1.2
365.24344	0.8
365.28433	4.8
383.29471	4.8
393.27823	8.6
411.28839	7.2
429.24356	0.9
429.29660	2.7
488.31171	10.0
506.32324	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	506.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01854	0.7
57.03428	11.4
59.04986	1.7
60.04501	1.8
61.02912	1.0
69.03420	35.3
70.77771	1.6
70.78117	0.5
71.04980	0.7
73.02887	0.8
75.04461	1.1
79.05465	1.4
81.03385	1.6
81.07063	0.9
83.04970	0.6
85.02894	23.8
87.04458	21.6
88.88146	0.5
91.05463	2.0
93.07001	0.6
97.02877	30.1
98.06039	1.0
99.04442	0.7
103.05458	6.2
104.21626	0.5
105.03347	0.7
105.07034	2.6
107.04945	7.7
107.08572	0.8
109.02847	1.3
115.03918	38.4
117.07000	0.5
119.08590	0.6
119.30507	0.5
120.05672	0.7
121.06476	1.1
121.10165	0.5
125.05984	0.6
127.03902	3.4
131.04913	1.4
131.08612	0.6
133.04947	36.7
133.10098	0.6
135.08022	6.7
139.03925	3.1
144.06587	2.8
145.04945	3.5
147.04456	0.7
147.07974	1.4
150.07565	4.4
154.06226	33.6
159.07899	0.6
161.05949	0.5
162.07602	1.8
163.07520	28.1
164.07695	0.5
167.07022	2.5
169.05029	1.1
173.06081	0.6
175.07346	1.0
177.05415	0.7
177.09113	0.5
180.07603	1.2
180.08836	0.8
187.07513	0.9
195.10141	100.0
196.10425	1.3
205.08549	1.1
207.10123	6.3
213.09035	1.3
213.44650	0.5
219.10132	1.7
232.36018	0.5
237.11201	0.6
241.08736	1.1
245.11716	1.8
259.07825	0.8
261.11310	0.8
273.11182	2.0
277.08890	0.6
285.44812	0.5
291.12170	3.7
294.11902	1.0
295.09991	0.6
303.04898	0.7
309.13260	1.9
312.12958	1.2
324.98416	0.6
339.57251	0.6
461.07367	0.6
519.80060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15611	0.3
52.20538	0.3
53.03936	0.3
57.03428	0.6
61.02917	1.0
62.48546	0.2
65.03943	0.5
69.03413	1.8
70.28237	1.3
81.03407	0.8
81.79573	0.2
85.02895	9.3
86.40637	0.3
87.04455	0.3
91.03979	0.4
91.05467	4.5
95.04961	0.3
97.02886	2.6
109.02862	0.8
119.04929	15.9
119.48290	0.2
123.04433	0.7
124.23066	0.3
127.03896	2.1
145.04929	3.4
147.04390	100.0
148.04733	0.7
163.03906	0.3
163.05988	1.6
165.05453	56.2
166.05792	0.3
166.50000	0.3
180.08620	1.3
181.46143	0.3
182.08092	0.4
206.26144	0.3
309.09509	1.3
325.10999	0.4
327.10709	0.4
344.13489	1.5
390.04871	0.3
412.49817	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09839	0.5
53.03935	2.0
55.01857	3.1
57.03427	4.7
60.04489	0.5
61.02637	0.7
61.02918	9.8
69.03416	16.6
69.66252	0.9
69.66661	2.3
71.04973	2.6
73.02902	3.4
79.05481	0.5
79.64151	0.4
81.03407	8.0
81.07044	0.8
85.02890	100.0
87.04447	2.0
91.03942	5.0
95.04964	0.6
95.08626	0.5
97.02875	28.0
98.21463	0.9
99.04429	4.7
101.02370	0.6
103.03952	0.8
103.05470	0.5
105.07011	11.1
106.54835	0.5
107.08591	0.7
109.02859	9.6
109.06538	0.7
115.03916	1.2
119.08537	0.8
124.05193	13.5
125.09613	0.6
127.03893	28.2
133.06470	9.2
133.10062	0.6
137.05954	16.7
144.06584	1.6
145.04935	54.9
146.05312	0.5
149.02420	0.6
161.09651	0.5
163.06000	22.1
165.09088	52.2
166.09436	0.6
170.53860	0.4
177.05522	1.0
180.08632	1.0
181.07059	0.5
181.12213	0.6
193.63440	0.5
211.16914	0.9
212.17368	0.9
223.13101	0.5
231.10110	0.5
247.85555	0.5
249.80305	0.4
271.08234	0.6
287.36121	0.4
289.09149	0.9
303.05066	1.2
324.12943	0.9
325.11328	1.5
328.36334	0.5
328.40921	0.4
402.08603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25559	0.7
53.03936	3.8
55.01868	1.5
55.05501	12.9
57.03429	1.4
57.07069	24.8
59.04995	0.7
65.03948	1.1
67.05495	22.4
69.03419	0.9
69.07058	12.1
71.04986	1.1
71.08620	18.1
71.62453	0.8
73.32511	0.7
75.81542	0.6
76.75548	0.6
79.05488	9.8
81.03407	47.1
81.07045	21.8
83.04974	3.2
83.08607	20.1
85.10173	11.0
91.05469	14.2
93.07028	11.0
95.04953	12.2
95.08591	18.7
97.02909	1.3
97.06516	1.7
97.10146	7.3
99.11691	1.1
105.07011	9.5
107.04935	3.6
107.08582	4.9
109.06526	2.7
109.10140	8.6
111.04441	1.5
111.08065	4.2
111.11708	2.3
115.05487	0.7
117.06989	1.4
119.08570	5.7
121.06510	2.5
121.10131	5.0
123.08089	1.1
123.11691	3.8
125.13262	0.9
129.06996	6.4
131.08521	4.3
133.06483	2.3
133.10124	3.8
135.11671	1.4
137.09592	1.2
137.13275	1.7
142.07704	1.6
145.10144	1.1
147.08104	1.5
147.11690	3.4
149.09616	2.8
149.13264	1.9
157.10147	4.9
159.11702	1.5
165.09096	1.4
165.12762	1.4
175.11125	5.5
193.12219	26.5
195.13828	1.1
205.12257	1.1
231.13766	1.1
239.23590	6.3
249.14809	4.3
368.10526	0.8
445.20297	0.9
505.23300	2.0
505.38843	100.0
506.39413	1.6
528.99811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3522
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.03930	9.6
55.01853	4.6
55.05507	25.3
57.03423	11.6
57.07068	5.7
57.15725	3.6
59.04970	4.7
61.02900	4.2
65.03941	3.8
67.05495	32.3
69.03416	23.7
69.07057	48.9
71.04981	16.3
71.62267	4.6
74.02438	5.0
77.03880	3.8
79.05479	27.2
81.03410	17.4
81.07043	95.4
82.07352	6.8
83.04975	22.2
83.08597	14.6
85.02901	26.2
85.06520	13.5
86.09681	5.8
91.05465	39.8
93.07032	63.4
95.04963	22.6
95.08595	91.8
97.02871	14.6
97.06501	16.9
97.10158	11.0
99.04439	8.7
99.08096	8.4
101.05997	7.3
103.05473	4.4
105.03372	4.1
105.07018	90.8
106.07305	6.3
107.04943	8.0
107.08576	85.4
109.02845	11.0
109.06509	17.1
109.10136	57.8
111.04415	4.1
111.08049	10.0
111.11687	6.2
113.09637	5.5
115.05459	4.4
117.03356	5.9
117.07003	13.3
119.04906	16.6
119.08564	83.6
120.08874	6.1
121.02866	8.6
121.06490	11.4
121.09284	5.8
121.10117	53.1
123.04441	6.2
123.08043	18.2
123.11673	35.4
125.05904	3.7
125.09605	20.7
127.03884	13.5
130.07742	4.9
131.04898	6.4
131.08553	36.6
133.06468	6.3
133.09177	2.4
133.10112	65.1
134.10455	7.6
135.08047	13.9
135.11671	40.7
137.05927	23.3
137.09586	21.0
137.13202	5.1
142.07755	5.6
143.08517	13.8
145.02817	21.4
145.04959	5.6
145.10109	83.5
146.10527	4.5
147.04393	79.6
147.08026	10.7
147.11670	50.0
148.04642	4.4
149.05995	3.8
149.09570	14.7
149.13243	28.1
151.07529	6.3
151.11145	21.3
153.12695	5.4
155.08556	6.1
156.09358	4.6
157.10112	29.1
157.12146	4.5
159.07954	5.0
159.11659	51.9
161.09575	22.4
161.13248	31.6
163.11105	12.2
163.14824	16.5
165.05408	4.8
165.09085	16.9
165.12672	7.8
167.07062	4.6
167.10722	4.7
169.10158	4.9
170.10872	5.4
171.11658	15.2
173.09636	6.5
173.13248	55.5
175.07460	3.7
175.11116	5.9
175.14803	45.3
177.05440	45.0
177.09140	5.1
177.12749	7.9
177.16379	29.0
179.10680	10.2
179.14293	4.8
181.04837	6.8
183.11633	10.1
185.13196	26.4
187.11108	4.1
187.14801	53.5
189.12723	10.0
189.16335	16.0
191.10629	6.2
191.14252	21.8
191.17900	7.3
193.15904	18.8
197.11563	4.8
197.13246	8.8
199.11095	5.3
199.14774	24.5
201.16359	31.5
203.03375	4.0
203.14299	37.9
203.17833	9.6
205.15863	93.4
209.13365	4.0
209.15257	4.3
211.16907	38.6
213.16405	9.0
215.14345	6.6
215.17862	8.9
217.15997	18.3
219.17384	32.8
221.15378	16.6
223.14934	4.2
223.16983	6.7
229.04878	14.6
231.17360	4.2
233.15376	7.1
233.18980	6.4
237.18452	7.5
238.18810	4.0
245.04384	8.4
247.16911	10.6
257.04431	100.0
258.04913	7.6
279.08646	6.6
279.26227	4.6
287.05487	13.4
289.25241	7.5
307.26199	14.0
309.07437	10.7
311.22275	12.0
317.06302	4.7
325.27423	6.3
329.23532	4.2
344.24402	3.9
353.10388	19.4
353.15372	4.0
364.29526	3.8
380.38330	4.8
393.31305	12.8
395.32455	4.3
405.31290	29.7
411.32779	5.2
423.32559	46.3
433.31058	4.4
439.31720	12.6
441.33609	7.1
451.32074	57.7
459.34180	10.4
461.12115	5.8
469.33679	18.5
505.14615	48.6
505.21387	5.9
505.31686	6.6
506.15112	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	505.3519
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
50.13517	0.6
52.41138	0.5
53.03920	0.7
55.01852	1.1
55.05509	4.1
57.03442	0.8
57.07072	0.9
59.05005	0.8
67.05495	7.1
69.03421	1.9
69.07056	5.9
70.99068	0.6
71.04986	1.1
71.62506	0.9
79.05476	7.5
81.03412	0.9
81.07042	15.0
83.04961	2.2
83.08611	2.9
85.02871	1.2
85.06539	2.5
91.05454	7.4
93.07032	12.7
95.04936	4.2
95.08589	16.4
97.02907	0.9
97.06504	2.9
97.10152	1.7
99.04405	0.7
103.05481	0.6
105.07014	13.2
107.04939	1.0
107.08572	18.3
109.06512	3.3
109.09446	0.9
109.10141	10.2
111.08073	1.7
113.09519	0.5
117.07007	2.8
119.04895	0.7
119.08562	12.4
120.08836	0.6
121.06467	3.6
121.10123	14.6
123.04399	1.2
123.08057	2.5
123.11700	2.2
125.06054	0.7
125.09622	2.4
127.03867	0.6
128.61458	0.6
129.06966	1.4
131.08539	10.9
133.10117	8.9
134.10461	0.7
135.08037	3.4
135.11650	5.3
137.05989	0.6
137.09612	1.8
139.07487	0.9
141.06923	0.8
142.07735	1.4
143.08548	4.7
144.09273	0.6
145.10106	12.5
146.10426	0.6
147.04404	1.8
147.07964	1.5
147.11664	12.6
149.09610	2.9
149.13239	6.4
151.07500	0.7
151.11198	1.0
155.08539	1.8
156.09265	0.9
157.10132	4.8
159.08037	1.2
159.11667	8.9
161.05949	0.9
161.09561	1.7
161.13243	5.4
163.11142	2.0
163.14821	9.3
165.09099	1.3
167.08527	0.7
167.10739	0.8
169.10114	2.6
171.11658	3.9
173.09575	1.3
173.11856	1.1
173.13223	6.8
175.11137	1.2
175.14761	4.8
177.12755	1.6
177.16364	6.8
179.14299	0.6
181.10138	0.7
183.11763	1.1
185.13205	5.0
187.11212	1.3
187.14790	13.9
189.12752	1.5
189.16365	2.6
190.06270	0.8
191.14273	8.8
191.18024	0.9
195.11659	1.1
197.13307	1.7
199.11230	0.7
199.14816	2.3
201.12766	1.0
201.16353	6.4
203.07021	2.2
203.14221	3.0
203.17932	2.2
205.15843	40.5
207.13762	0.7
209.13490	1.0
209.15372	3.5
211.14854	1.2
213.16380	1.8
215.17952	2.5
217.04962	0.8
217.08519	1.0
217.12259	0.7
217.15800	0.8
219.17493	2.7
221.15393	1.6
223.13202	0.7
225.16429	1.6
227.17953	1.2
229.04916	2.2
229.15883	1.1
229.19466	2.0
231.06476	1.6
231.17403	0.7
232.07269	1.3
233.08040	0.7
233.15375	0.9
243.17407	0.9
245.04251	0.6
255.21037	1.7
257.04395	14.6
258.04782	1.3
269.22562	0.7
309.07480	0.9
327.23337	0.7
353.10214	1.7
365.24039	1.3
375.22653	0.8
383.25748	1.4
387.08591	0.7
403.11951	1.1
405.31677	1.3
411.25015	1.3
420.11996	0.6
421.12817	1.0
423.32413	2.5
427.11694	1.0
427.28494	1.5
429.09503	0.9
441.33694	4.9
445.12695	2.3
459.34625	100.0
460.35031	3.2
461.12640	1.0
463.13458	4.3
487.13644	5.5
487.34573	1.0
505.15005	16.5
505.26953	0.9
505.35242	3.7
506.15216	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	505.3517
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
51.02168	0.4
55.05499	2.9
57.03426	0.9
57.07055	0.5
65.03934	0.4
67.05496	4.9
69.03417	1.3
69.07059	4.9
71.04987	0.6
71.62568	0.6
74.04919	0.5
79.05483	4.2
81.03406	1.1
81.07044	13.8
82.07372	0.6
83.04964	1.1
83.08614	2.2
85.02908	0.9
85.06536	1.5
87.83775	0.4
91.05463	4.0
93.07029	9.0
94.07410	0.6
95.04966	2.1
95.08592	13.9
97.02909	1.0
97.06508	3.1
97.10166	1.3
99.04430	0.5
99.08035	0.6
99.63705	0.4
105.03381	0.5
105.07023	8.9
107.04945	0.6
107.07854	0.9
107.08578	16.0
109.06526	1.9
109.10145	9.1
111.04435	0.5
111.08065	1.7
112.22617	0.5
117.07012	1.4
119.08562	9.7
120.08916	0.5
121.06481	2.3
121.10123	12.6
122.10458	0.6
123.04424	0.9
123.08042	1.5
123.11694	2.8
125.09555	0.9
129.07011	0.9
131.08560	5.5
133.10100	6.8
135.08057	2.5
135.11678	5.3
137.05946	0.6
137.09633	1.6
137.13239	1.2
139.07513	0.9
142.07761	0.9
143.08546	2.6
144.09354	0.6
145.10098	8.7
147.04398	0.7
147.07996	1.4
147.11664	7.6
149.09622	2.0
149.13235	6.1
151.07549	0.6
151.11145	0.5
156.09300	0.8
157.10095	3.4
159.11653	7.2
161.09631	1.7
161.13229	3.2
163.07561	0.9
163.11101	0.9
163.14799	6.7
165.05383	0.6
165.09016	0.7
165.12802	0.6
167.10672	0.5
171.11649	2.9
173.13245	5.5
175.11180	1.5
175.14789	3.7
176.15131	1.2
177.05435	0.7
177.09146	0.7
177.12781	1.1
177.16367	8.9
177.17818	0.8
179.10602	0.5
183.11707	1.5
185.09631	0.5
185.13261	3.0
187.11208	1.2
187.14799	7.7
189.12766	1.1
189.16400	2.6
191.10632	0.6
191.14252	3.1
191.17920	0.9
193.12143	0.5
197.13257	0.9
199.14818	1.4
201.16393	4.2
203.14307	2.1
203.17940	2.5
205.12271	0.8
205.15849	21.1
205.17795	1.1
209.13362	0.8
209.15366	1.5
211.14651	0.8
213.16309	1.4
215.14374	0.6
215.17963	2.6
217.15860	1.1
219.13718	0.9
219.17429	1.7
219.21013	0.6
221.13280	0.5
221.15382	1.0
227.17915	1.1
229.04932	0.7
229.15898	0.9
229.19475	0.7
233.15366	0.6
241.19577	1.1
243.17441	0.8
245.04552	0.5
245.19009	0.9
249.18550	0.8
253.19420	0.7
255.21216	0.7
257.04419	4.0
258.04803	0.6
259.09720	0.7
261.18466	0.6
309.07501	1.8
310.08154	2.2
353.10309	2.4
354.10529	0.5
364.22226	0.6
397.74219	0.4
405.31479	0.6
423.32672	1.4
441.33691	3.7
459.34631	100.0
460.34711	2.9
461.12384	1.5
487.34702	2.8
505.14868	6.5
505.21359	0.8
505.26849	0.6
505.34637	1.6
506.15021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3518
Annotation	Yardenone A
Peak:m/z	Relative Intensity
54.21353	2.5
55.01884	3.2
55.05507	19.3
57.07078	3.8
67.05495	64.3
68.88663	2.2
69.07055	19.1
69.75806	15.2
69.76233	5.5
79.05489	31.5
81.07047	64.2
83.04963	5.6
83.08607	13.1
85.02866	2.6
85.06522	4.3
86.09694	6.6
91.05454	32.0
93.07026	51.3
95.04964	3.9
95.08594	96.3
97.06504	9.1
97.10131	4.7
99.08080	3.5
104.10735	6.1
105.07012	48.9
107.08579	73.8
109.06491	7.7
109.10142	62.2
111.08067	7.6
117.07010	8.7
119.08563	55.1
119.09355	5.3
121.06506	5.0
121.10130	49.6
123.08078	5.3
123.11715	21.4
125.09613	4.4
127.11183	2.6
129.07004	4.8
131.08542	17.3
133.10104	48.9
135.11688	36.3
137.09587	4.4
137.13220	9.5
139.11197	3.1
143.08542	9.3
145.10121	28.2
147.08080	3.0
147.11670	38.0
149.09621	8.0
149.13254	30.3
151.07536	5.4
151.11148	4.3
153.09093	3.0
155.08553	4.3
155.10617	3.4
157.10120	9.8
159.11671	24.1
161.09647	3.9
161.13257	32.0
163.11171	4.4
163.14786	24.7
165.09082	8.1
165.12759	9.4
167.07043	6.2
169.10141	3.2
171.11703	11.3
173.09683	3.4
173.11823	4.8
173.13231	17.2
173.14487	2.6
175.11220	3.0
175.14810	26.3
177.09152	5.1
177.16371	19.3
179.10631	6.2
179.14191	4.7
183.10091	4.6
183.11606	3.7
184.07359	4.6
185.07899	3.3
185.13263	8.2
187.14828	29.5
189.12749	5.9
189.16362	36.2
191.14296	6.0
191.17903	14.6
193.12244	5.1
193.15810	3.3
195.13683	2.8
197.11693	6.5
199.14801	5.9
201.16365	10.4
203.17940	72.7
205.15814	5.0
205.19510	18.3
207.13817	3.7
207.17441	8.1
211.13208	4.2
213.16298	4.7
215.17928	6.5
219.13774	5.8
223.16901	5.7
225.14803	6.5
227.12732	3.4
229.14354	11.9
231.21068	6.4
233.15291	3.7
235.16820	3.8
237.14742	15.5
239.16226	4.8
241.19466	4.7
247.16885	3.9
249.18520	13.3
254.34607	2.8
255.15854	71.6
257.04413	6.5
257.22693	2.9
259.20554	13.1
261.22470	3.3
263.16327	4.7
267.15656	4.2
269.17453	8.5
280.10303	2.9
333.24243	6.3
345.24277	4.2
356.03830	3.2
363.25076	3.5
395.33191	2.9
397.31003	4.1
413.34116	8.0
415.31876	7.1
423.32501	5.2
429.33475	4.5
441.33655	43.8
451.31400	3.5
459.34680	100.0
460.34805	6.4
469.32544	8.1
487.33951	11.7
505.34766	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	505.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
53.49318	3.8
55.01864	4.7
55.05502	21.6
57.03433	5.1
57.07066	7.2
58.29855	4.0
59.04981	7.5
67.05500	81.3
69.03418	5.6
69.07056	31.0
70.88254	4.2
71.04984	7.8
71.45997	4.3
71.62854	7.4
74.78627	4.5
75.29545	3.8
79.05481	49.7
81.03404	5.8
81.07050	75.6
83.04964	8.0
83.08593	20.5
85.02927	3.8
85.06544	11.0
86.09666	5.3
91.05451	37.6
93.07038	63.5
95.04963	16.7
95.08594	84.2
97.06525	9.3
97.10173	8.2
99.08099	4.4
105.07015	60.5
107.04934	5.5
107.08575	78.6
109.06512	9.8
109.10144	82.8
111.08078	10.9
113.05960	4.8
113.09604	4.1
115.38672	4.1
117.07008	15.7
119.07786	6.5
119.08573	72.9
121.06519	9.8
121.10123	61.0
122.59901	4.1
123.08067	7.7
123.11696	16.9
124.99962	4.2
125.09612	5.2
129.06982	11.0
131.08554	19.0
133.10109	54.3
135.11673	35.8
135.36453	4.0
137.09610	9.2
137.13275	4.9
139.11185	6.5
143.08543	13.2
145.06459	4.6
145.10095	34.6
147.11671	50.5
148.12212	4.2
149.09586	5.2
149.13283	25.9
151.07520	6.2
151.11191	4.9
155.08540	5.3
157.10094	8.0
159.11649	25.6
161.09561	8.0
161.13237	31.3
163.11177	8.1
163.14801	27.8
165.09061	7.9
167.10574	5.2
171.11688	8.7
173.11757	14.1
173.13257	19.9
175.14806	35.0
177.16397	31.4
179.10637	7.9
183.10257	4.4
183.11871	6.0
184.07315	11.1
185.13208	10.2
187.14784	45.9
189.16370	53.8
191.17941	18.2
193.12219	12.9
195.10085	5.2
197.11668	6.0
199.14777	4.3
201.16374	17.8
203.17928	64.8
207.13687	6.5
207.17336	7.5
213.16350	5.2
215.17981	8.2
217.19569	7.7
227.12724	8.1
229.14197	24.4
231.21007	6.5
235.16870	5.8
237.14786	7.4
239.16353	7.4
241.19516	13.3
249.18552	8.4
251.16420	9.5
255.15762	24.0
257.04349	8.8
259.20560	20.8
333.24091	18.4
366.63696	4.9
397.30905	12.2
415.31909	9.6
423.32413	15.6
441.33591	47.8
442.33466	8.0
459.34641	100.0
469.33038	8.1
487.33939	17.0
505.14551	13.6
505.26968	5.9
505.35135	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	505.3515
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05492	13.8
57.07062	5.4
67.05496	27.2
69.07045	14.6
69.54652	4.5
70.68577	8.0
70.68909	5.0
79.05460	17.4
81.07050	43.2
83.08606	10.4
91.05471	22.1
93.07033	47.4
95.04934	7.7
95.08588	79.9
97.06512	6.6
97.10166	5.4
101.70183	4.1
105.07015	56.2
107.08580	69.6
109.06497	9.1
109.10143	40.2
110.01743	4.2
111.08089	4.5
117.06998	4.4
119.08547	100.0
121.06482	7.0
121.10123	53.1
123.08050	9.6
123.11656	6.9
125.09563	5.4
127.25220	4.0
129.06937	8.3
131.08537	34.4
133.10115	55.9
135.08008	7.0
135.11674	21.6
142.07712	8.3
142.97733	4.0
143.08533	27.1
145.10091	75.1
147.07986	8.8
147.11665	41.9
149.09619	5.8
149.13223	21.6
153.09064	7.9
155.08516	8.8
156.09325	14.2
157.10091	44.9
158.10901	9.2
159.08049	6.8
159.11664	42.3
161.09566	18.7
161.13232	29.0
163.11214	6.4
163.14777	19.3
165.09091	4.6
169.10065	10.5
170.10904	6.0
171.11664	34.9
173.09595	8.8
173.13225	54.3
175.11142	21.4
175.14813	42.1
177.16367	32.5
179.10641	5.2
183.11662	11.8
184.12334	5.1
184.48816	5.0
185.09645	4.6
185.13191	63.7
187.14813	52.0
189.12721	17.3
189.16379	66.0
191.14285	13.4
191.17899	28.8
193.15883	5.4
197.13275	13.3
199.14786	31.9
201.12735	7.9
201.16400	23.3
203.14305	42.3
203.17917	38.7
205.15881	11.7
205.19481	4.9
211.14742	7.4
213.16376	10.2
215.14268	28.5
215.17841	35.5
217.15863	9.2
217.19447	4.6
221.15363	12.2
229.15868	11.4
229.19524	7.1
231.17566	7.9
233.15326	76.8
235.16855	22.1
243.21114	7.3
247.16910	8.5
249.18471	10.5
288.72443	5.0
309.22015	12.4
327.23105	10.6
375.30371	10.5
387.30368	6.3
391.87158	4.4
393.31546	23.1
405.31363	42.8
421.30930	88.4
422.31082	5.1
423.32593	61.2
433.30930	16.0
439.31735	26.7
441.33398	14.8
451.31967	52.3
458.04425	4.4
459.34583	38.3
469.32935	18.8
487.33356	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	505.3519
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05510	15.4
67.05491	20.4
69.07053	17.8
70.87369	11.7
70.87727	15.7
72.84122	6.7
79.05476	21.8
81.07053	42.2
91.05465	27.2
93.07044	48.2
95.08595	97.4
95.10767	7.4
98.21440	7.5
100.76877	8.7
105.07014	68.2
107.08585	72.1
107.78265	6.8
109.06475	10.1
109.10127	28.5
114.43247	7.5
116.39912	6.9
117.07011	10.7
119.08569	100.0
121.06493	11.8
121.10127	47.2
123.11671	14.6
131.08563	27.7
133.10103	61.8
134.10406	8.7
135.08040	14.0
135.11696	24.8
143.08548	19.9
145.10133	36.8
147.07965	9.0
147.11710	42.6
149.13203	24.1
157.10124	24.9
159.11665	38.8
159.63783	7.9
161.09575	16.2
161.13261	28.6
163.14806	30.8
171.11691	23.0
173.13214	33.5
175.11205	10.7
175.14801	35.8
177.16347	30.2
183.11606	8.7
185.13234	31.8
187.14841	36.6
189.12779	15.0
189.16368	32.6
191.14330	10.9
191.17932	15.5
196.91747	7.6
199.14806	21.4
201.12630	7.6
201.16399	18.5
203.14311	40.0
203.17860	41.5
205.15767	13.3
215.14313	21.6
215.17979	9.0
217.15741	16.1
221.15346	11.6
229.15889	7.8
229.19493	10.1
233.15370	16.9
327.23187	15.4
333.24365	9.8
343.24292	10.0
345.23846	8.8
393.31516	59.5
398.67078	7.6
405.31311	14.9
421.30975	40.1
421.64407	7.7
423.32440	44.2
439.31891	59.1
441.33435	36.2
451.31964	13.4
459.34778	74.7
469.32776	13.3
490.11429	10.8
515.57867	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	505.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	16.7
57.07067	6.6
62.22579	5.9
65.20925	5.0
67.05476	24.3
69.03401	6.1
69.07047	24.9
70.67869	11.5
78.75671	4.9
79.05470	31.6
81.07040	59.2
83.04950	6.2
83.08618	10.6
85.06531	6.3
91.05473	26.5
93.07035	60.2
94.15856	5.6
95.04948	10.4
95.08591	80.2
97.06523	7.3
99.65308	5.1
104.73153	5.4
105.07016	66.0
107.08578	66.3
109.06480	12.8
109.10147	49.0
117.06969	17.1
119.08559	100.0
121.06467	19.3
121.10138	46.6
123.08047	6.6
123.11660	15.3
125.09628	5.3
129.07011	6.5
131.08537	40.7
133.10117	57.6
135.08025	12.8
135.11667	20.5
141.06996	9.6
142.07780	10.1
143.08511	21.5
145.10098	76.4
147.11656	32.9
149.13208	27.6
155.08540	15.9
156.09328	20.0
157.10135	48.2
159.11682	57.8
161.09583	22.1
161.13216	32.0
163.11244	6.3
163.14845	35.1
167.26283	6.9
169.10133	13.6
170.10898	16.0
171.11644	41.0
172.12364	6.3
173.09618	6.5
173.13240	61.9
175.11165	14.0
175.14825	53.9
177.12674	9.2
177.16371	59.7
179.10751	6.8
179.17915	10.6
183.11655	10.1
185.13228	74.0
187.14774	67.0
189.12740	20.8
189.16380	59.6
191.10667	6.8
191.14282	8.7
191.17963	14.9
193.15782	13.2
197.13214	24.5
199.14763	36.0
201.12573	6.0
201.16333	18.0
203.14284	56.1
203.17899	35.7
205.15868	20.1
207.13806	6.7
211.14726	9.7
213.16336	14.2
215.14290	31.6
215.17961	18.1
217.15810	14.0
217.19392	8.6
221.15370	6.1
229.19415	8.3
231.21014	7.2
233.15323	86.6
235.16936	14.4
239.45471	5.3
247.16859	8.0
249.18544	10.3
256.18307	5.7
257.04437	7.1
259.16867	6.7
281.17444	10.7
287.03015	6.0
308.54062	5.9
375.30353	8.3
387.30515	9.5
393.31540	32.9
405.31393	42.9
421.31012	81.2
423.32480	47.6
433.30618	17.7
439.32013	28.5
441.33475	27.3
451.31891	70.3
459.34534	87.7
469.32950	20.8
487.34286	12.2
505.35370	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	505.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
53.03935	7.2
55.01860	3.1
55.05505	21.1
57.03431	9.2
57.07058	2.9
60.68399	0.8
65.03921	4.0
67.05495	61.2
69.03421	1.7
69.07056	12.9
69.51244	0.9
69.55560	7.4
71.04988	2.6
71.08617	2.0
73.06554	2.1
74.86986	0.9
77.03889	0.9
79.05482	88.9
80.05846	1.3
81.03406	13.3
81.07044	52.7
83.04971	16.7
83.08595	11.0
85.06541	3.6
85.10166	1.2
91.05468	73.0
93.07029	87.0
93.71723	0.9
95.04954	27.8
95.08594	30.3
97.02846	1.1
97.06517	4.6
97.10159	4.9
99.08131	1.1
101.05975	1.1
103.05494	1.0
105.04549	1.7
105.07015	51.6
107.04935	8.4
107.08576	19.8
109.06506	8.8
109.10138	8.6
111.08035	2.1
115.05436	2.4
117.07011	11.4
119.08566	33.6
121.06490	3.4
121.10145	5.9
123.08046	7.6
123.11712	1.3
127.07568	2.3
128.06201	3.2
129.06981	19.7
130.07776	0.9
131.08600	4.3
133.06479	1.8
133.10121	13.2
135.08037	2.1
135.11722	2.5
137.09583	1.4
141.09122	1.0
143.08530	12.4
145.10089	13.4
147.08049	4.9
147.11668	49.8
154.76569	1.0
157.10020	1.0
159.11722	2.2
161.09650	5.5
161.13232	15.7
163.11151	2.9
169.10173	1.4
171.11665	40.5
173.11740	1.2
173.13234	1.3
179.14301	2.0
187.14711	0.9
189.12700	21.2
193.12270	3.1
195.00291	4.7
207.13771	50.7
225.14839	9.2
229.14267	2.1
257.04404	1.0
259.20435	1.9
263.16437	2.5
281.17432	86.7
311.25751	1.7
322.73770	1.1
469.29282	2.8
487.30481	100.0
488.30548	3.6
505.24026	1.3
505.38342	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	505.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.4
55.01852	4.4
55.05495	17.8
57.03421	3.6
57.07065	8.3
59.04980	3.1
61.02904	1.6
65.03930	1.4
67.05491	23.4
69.03411	17.9
69.07054	100.0
69.51087	10.9
70.07378	1.5
71.04977	6.9
71.08606	1.9
72.91421	1.2
73.02884	1.2
73.06532	1.5
74.02417	2.2
77.03882	1.8
79.05476	11.8
80.14685	1.1
81.03407	5.8
81.07041	73.6
82.07369	2.0
83.04959	6.4
83.08596	10.2
85.02890	13.7
85.06532	14.1
86.09673	2.8
91.05431	7.5
93.06472	1.8
93.07030	28.7
95.04948	10.2
95.08585	43.1
96.08897	1.7
97.02873	22.8
97.06526	9.4
97.10134	5.1
98.03194	5.4
98.20798	2.9
99.03275	1.4
99.04438	4.4
99.08090	10.1
101.05994	5.3
103.05404	1.8
105.07011	25.8
107.04970	1.4
107.08578	25.7
108.08870	2.1
109.02834	4.3
109.06493	7.4
109.10133	39.0
110.09603	1.3
110.10432	1.4
111.04436	2.2
111.08039	6.7
111.11696	26.9
113.05976	2.0
113.09632	2.9
115.03937	1.5
115.07498	1.3
116.46631	1.2
117.06982	3.9
119.04916	3.0
119.08538	16.3
120.08070	1.2
121.02832	4.8
121.06494	6.3
121.10116	21.2
122.03191	1.7
123.04424	3.0
123.08038	6.1
123.11684	31.7
125.05959	2.0
125.09601	5.7
127.03896	5.7
127.07539	1.5
127.11188	7.2
129.06995	1.9
129.12704	2.0
131.08487	6.4
133.06543	2.6
133.10098	13.7
135.08026	3.9
135.11668	13.6
137.05916	4.3
137.09578	11.5
137.13243	6.8
139.03839	2.1
139.07484	1.6
139.11154	19.8
143.08543	3.7
145.02795	1.7
145.04910	2.4
145.10103	7.6
147.04399	14.6
147.11673	21.9
149.09610	4.5
149.13231	8.5
151.07501	2.1
151.11171	2.5
151.14799	4.0
153.12717	8.0
155.08557	1.6
155.10594	2.2
157.04935	4.9
157.10095	3.5
157.12233	5.6
159.11681	8.6
161.05911	1.5
161.09619	7.0
161.13208	7.4
162.13614	1.3
163.07492	1.6
163.11185	9.1
163.14786	4.2
165.09074	9.0
165.12721	7.1
167.06992	5.3
167.14270	2.1
169.10010	1.9
169.12199	1.5
171.11664	3.2
173.09544	1.3
173.13205	5.7
175.14799	5.5
177.05460	3.5
177.12744	2.5
177.16319	1.9
179.10637	4.3
179.14273	5.2
181.04953	1.7
181.12062	1.3
183.13747	3.5
185.13129	2.2
187.11064	1.5
187.14781	3.1
189.09120	2.1
191.07050	1.8
191.10660	2.9
191.14259	3.0
191.17944	1.8
193.15900	3.0
201.05397	1.5
201.16331	2.8
203.10655	1.6
203.14226	1.5
211.16743	1.5
215.17838	1.5
219.17397	3.3
237.18445	5.5
250.10501	2.3
251.20157	1.3
257.04453	6.1
271.24249	2.0
277.25241	3.0
278.09741	2.1
279.08603	3.0
280.11658	2.7
281.04398	2.2
282.08334	1.5
287.05460	16.1
288.05765	14.1
289.05994	18.4
289.25156	11.7
295.05881	1.6
295.26266	31.7
299.05356	3.6
300.05811	4.4
301.06073	5.7
306.09262	2.6
307.10577	2.3
307.26233	62.4
308.10944	3.9
308.26529	3.1
309.07602	3.6
309.20572	1.8
325.10587	1.7
325.27316	17.8
326.23248	1.9
334.08981	2.2
338.07239	1.4
339.07834	2.6
343.28354	2.0
352.09912	1.6
353.10159	10.1
353.16217	1.5
365.06418	3.5
366.06772	3.3
367.07318	7.3
385.08023	5.2
433.29947	1.4
461.12091	2.3
487.17084	6.1
505.14026	13.0
505.31274	3.8
506.14737	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
53.03931	6.2
55.01859	2.8
55.05503	20.7
57.03429	7.6
65.03923	4.1
67.05494	49.7
69.03427	1.3
69.07054	12.9
69.86971	6.9
71.04991	2.6
71.07336	1.1
71.08652	1.0
73.06557	1.2
77.03922	1.3
79.05481	86.1
81.03419	8.4
81.06567	2.4
81.07045	46.0
83.04964	15.9
83.08614	7.3
85.06536	3.9
86.09712	1.6
91.05467	74.0
93.07028	92.1
95.04955	25.9
95.08595	30.4
97.02896	1.7
97.06503	5.4
97.10152	4.4
103.05363	1.1
105.04489	2.3
105.07013	55.5
107.04938	6.4
107.08577	25.1
109.06496	7.4
109.10133	6.5
111.08044	2.9
115.05441	1.7
117.07009	10.4
119.08562	29.3
121.06496	4.5
121.10145	6.4
123.08051	6.7
125.06065	1.2
127.07492	1.5
128.06209	4.0
129.06993	21.1
129.81816	1.1
131.08556	4.4
133.10109	16.2
135.08034	1.6
135.11676	3.8
143.08539	14.1
145.10107	15.6
147.08034	3.3
147.11665	47.2
156.09352	1.9
157.10185	1.3
159.11620	3.1
160.49678	1.1
161.09584	5.2
161.13235	14.6
163.11212	2.8
171.11665	39.4
172.12138	1.5
175.14735	1.5
179.14307	2.6
184.07312	5.8
185.13158	1.6
189.12712	19.6
207.13766	49.4
225.14807	6.4
251.39789	1.1
263.16306	3.6
280.21487	1.2
281.17435	91.8
282.17725	1.3
306.28790	1.2
326.21982	2.6
344.23016	2.3
410.27869	1.2
469.29416	1.6
487.30472	100.0
488.30588	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	505.2632
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
51.82940	0.6
53.03925	1.1
54.61709	0.6
55.05494	2.6
57.03421	1.6
59.02279	0.6
61.02891	0.7
67.05499	3.4
69.03410	4.0
69.07055	3.5
71.04967	2.2
71.62829	1.1
73.02903	2.8
74.79224	0.6
77.86356	0.5
79.05468	1.7
80.18836	0.6
81.03405	1.8
81.07049	6.2
83.04962	1.4
83.08598	2.1
85.02888	6.8
85.06519	1.5
88.02203	0.5
91.05455	2.0
93.07012	3.7
95.04950	1.4
95.08585	8.3
97.02888	3.1
97.06506	2.5
97.10122	1.6
99.04435	2.6
99.08078	1.9
101.05978	0.9
103.07660	0.8
105.07009	5.9
107.08580	4.5
109.02818	1.1
109.06493	2.0
109.09441	1.1
109.10135	15.2
111.08068	6.6
113.06017	0.7
113.32500	0.6
116.24014	0.5
117.03316	1.1
119.04928	1.4
119.08569	9.5
121.02853	1.2
121.10119	6.3
121.39211	0.6
123.08052	5.8
123.11697	5.0
125.09605	2.0
127.03900	2.8
127.07523	0.7
127.11185	0.6
131.08557	1.0
133.06499	0.7
133.10109	12.2
135.11670	10.2
137.05898	1.3
137.09589	17.7
137.13248	0.9
138.10396	1.0
139.11150	0.6
143.08528	0.8
145.02811	2.8
145.04881	1.1
145.10104	1.6
147.04405	5.2
147.11665	1.6
149.09714	0.5
149.13232	3.0
151.03889	0.7
151.07529	1.0
151.11171	1.4
151.14801	1.9
161.09554	3.5
162.05498	6.8
163.11148	1.8
165.09048	1.2
165.12775	2.8
165.16377	1.2
167.07060	0.8
175.14792	15.3
177.05403	5.3
178.95076	0.6
179.10667	1.8
187.14742	0.7
189.09091	1.8
193.15837	14.1
197.08064	1.4
207.10179	1.8
207.14052	0.6
211.16896	100.0
212.17125	1.1
225.11137	1.5
252.84294	0.7
279.08560	0.8
307.26712	0.8
307.80609	0.5
309.07129	0.6
333.13443	0.8
351.14166	0.9
373.21988	2.3
405.57480	0.6
443.80313	0.6
506.19763	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3149
Annotation	Hongdoushan A
Peak:m/z	Relative Intensity
51.02377	3.1
53.03938	10.0
55.01849	3.0
55.05505	21.9
57.03423	11.8
59.05005	2.1
65.03928	5.2
67.05496	67.1
69.03406	3.6
69.07059	14.3
69.53870	17.3
71.04961	3.8
73.06539	2.4
76.02551	1.8
77.03917	2.6
79.05482	94.0
81.03402	13.0
81.07047	61.8
83.04974	20.6
83.08620	9.3
84.34621	1.9
85.06529	6.9
91.05469	85.2
93.07030	98.9
95.04949	30.2
95.08594	39.1
95.09154	3.3
96.91737	2.0
97.06512	7.7
97.10160	7.3
98.20692	4.6
99.08069	2.2
103.05460	2.3
105.04499	2.9
105.07014	55.8
107.04937	7.3
107.08586	25.1
109.06499	10.9
109.10120	11.4
117.07004	15.3
119.08556	41.7
121.06521	6.0
121.10120	10.1
123.08057	8.9
128.06180	6.0
129.06973	30.6
131.08537	8.4
133.10101	20.0
135.08018	3.3
135.11652	5.7
143.08566	14.8
145.10112	21.7
147.08069	6.6
147.11670	60.1
156.09233	3.2
157.10103	3.1
159.11714	5.1
161.09610	7.6
161.13228	20.5
171.11671	51.3
173.13176	2.5
173.64481	2.0
179.14313	4.2
184.90800	1.9
187.14799	2.0
189.12717	23.4
199.14725	1.9
207.13785	53.3
218.07214	2.0
221.15494	2.2
225.14783	10.9
257.04440	5.7
281.17410	94.8
351.25226	3.6
376.48737	2.1
487.30444	100.0
488.31259	2.8
505.14844	3.6
505.27579	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	505.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.6
55.01870	1.5
55.05501	6.6
57.03424	6.2
57.07051	2.7
65.03945	1.6
67.05490	19.1
69.03423	1.7
69.07056	8.7
70.88719	3.0
71.04972	2.1
75.04462	1.8
77.03936	1.2
79.05488	18.6
81.03400	3.4
81.07047	27.6
83.04972	2.1
83.08617	4.9
85.06519	2.3
91.05469	21.6
93.07034	26.2
95.04951	5.6
95.08593	17.4
97.06516	4.0
97.10160	1.8
98.98453	51.6
99.08087	1.8
103.03929	1.9
103.05465	1.0
105.07017	29.7
106.07366	1.3
107.04938	2.4
107.08575	20.7
109.06493	2.2
109.10126	12.3
111.08040	1.7
116.99492	2.6
117.07008	8.5
119.08565	30.1
121.06480	2.5
121.10134	13.5
123.08057	2.1
123.11701	2.9
125.09593	2.2
128.06177	1.9
129.05473	4.7
129.06950	5.2
131.08545	16.8
133.06465	1.1
133.10110	21.9
135.08051	1.0
135.11670	13.6
137.09596	2.2
142.07776	1.7
143.08559	7.2
145.10110	16.2
147.04454	1.2
147.08040	1.8
147.11670	16.9
149.09584	3.0
149.13252	8.3
155.01030	11.4
155.07036	2.0
155.08540	1.8
157.10130	8.9
159.11673	14.5
161.09584	2.6
161.13235	20.1
163.11128	1.4
163.14781	3.7
165.12692	1.5
169.10101	1.9
171.11673	9.4
172.49614	1.0
173.02066	10.5
173.13260	8.8
175.11136	2.0
175.14787	13.3
176.15036	1.2
177.12773	1.2
177.16312	1.1
183.11626	1.2
184.07379	1.8
185.13208	8.5
187.14778	6.0
189.12717	2.1
189.16391	2.6
193.12268	1.6
196.17989	1.0
199.14796	4.4
200.15324	1.2
201.16248	1.8
203.14270	1.9
203.17892	1.4
211.14787	1.1
213.16351	3.2
215.17921	5.9
217.19499	5.0
219.13872	1.0
221.15337	1.4
229.04720	3.8
231.21017	3.9
241.19482	37.6
243.13640	1.2
243.21051	2.7
245.04376	1.9
247.05774	8.0
257.04462	7.0
259.20560	27.6
275.19852	1.4
297.22171	1.1
315.23157	7.9
333.24191	100.0
334.24365	1.0
353.10114	4.2
381.23953	1.2
413.20743	2.7
423.32550	1.6
441.33548	3.3
451.31662	1.8
452.32443	2.2
469.23502	4.0
469.32755	3.4
487.24246	8.5
487.30554	0.8
505.15295	5.7
505.31656	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	505.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00269	0.3
53.03928	0.7
55.01847	0.5
55.05488	0.6
57.03409	0.8
61.02929	0.2
65.03932	0.5
67.05479	1.0
69.03412	2.1
69.07060	1.1
71.04976	0.6
71.42516	0.4
73.02898	2.8
79.05475	0.4
81.03400	3.4
81.07045	2.3
83.08596	0.4
85.02893	2.0
85.06504	0.5
85.87725	0.2
91.05461	7.1
93.07032	1.5
95.04945	0.6
95.08578	1.9
97.02884	1.2
97.06494	0.5
99.04427	1.3
99.08096	1.5
101.05978	0.4
105.07017	2.8
107.04961	0.3
107.08568	1.0
108.97644	0.2
109.02856	1.2
109.06514	0.3
109.10157	1.4
111.04387	0.3
111.08054	0.5
117.07020	0.2
119.04919	18.0
119.08563	1.1
121.02832	0.9
121.06516	0.6
121.10111	0.7
123.08073	0.2
123.11683	0.6
123.72195	0.3
125.05966	2.4
127.03922	1.1
133.05025	0.3
133.10118	2.2
135.08061	0.3
135.11679	0.8
137.05917	0.4
137.09599	0.5
139.11229	0.3
145.04927	0.4
145.10097	0.7
147.04382	100.0
148.04710	0.9
149.06067	0.2
149.09570	0.3
151.03877	8.6
151.05064	0.6
151.07526	0.6
151.11195	0.4
155.10728	0.3
161.09610	2.1
163.03853	0.4
163.11121	1.2
165.05440	5.0
165.09103	0.2
167.07016	0.2
173.13196	0.2
175.14716	0.4
179.06990	3.1
179.10609	2.5
189.09084	0.6
189.16269	0.3
193.15878	0.7
195.10075	0.5
197.08052	11.8
207.10095	0.5
211.16943	0.9
225.11223	0.3
236.81332	0.2
268.09250	0.2
287.05414	1.4
289.25259	0.3
291.08572	4.3
295.26056	0.5
307.26266	0.9
309.09735	4.8
312.66742	0.3
325.27301	0.9
351.14398	0.6
353.10312	0.4
369.15472	0.3
505.14728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74507	0.6
54.48876	0.6
56.96560	0.6
69.03432	1.4
71.61635	1.1
81.03410	1.2
85.02902	3.8
91.05460	2.0
97.02881	1.3
98.97562	1.8
105.07077	0.8
115.05441	1.3
116.98596	1.0
117.05785	0.8
117.06970	1.1
118.06522	15.4
119.04926	2.8
121.02795	0.8
127.03884	1.5
130.06516	1.6
132.08066	4.8
137.09500	0.8
141.36636	0.6
142.06525	2.1
143.07291	2.1
144.08061	11.8
145.02811	0.7
146.05988	58.7
147.04388	13.2
147.06190	1.2
159.09166	5.9
160.07518	0.9
163.03850	2.6
165.05453	1.0
170.05946	4.0
177.05502	0.8
188.07036	100.0
189.07393	1.7
205.09691	46.3
237.02823	0.8
308.08435	0.8
321.06277	1.0
445.17239	3.9
505.17120	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	505.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46793	0.2
52.57190	0.2
55.01861	0.4
55.05476	0.4
57.91033	0.3
58.34092	0.3
65.03926	0.9
67.05482	1.0
69.03429	1.7
69.07056	0.5
69.53447	2.4
73.02905	5.8
79.05513	0.3
81.03387	1.0
81.07050	1.6
83.04955	0.5
85.02889	0.9
85.06519	0.6
91.05471	9.6
92.16836	0.3
93.03374	0.3
93.07024	1.1
95.04928	0.4
95.08585	1.4
97.02863	0.5
97.39336	0.3
98.20770	0.6
105.06994	1.1
107.04872	0.3
107.08569	1.1
109.02869	0.6
109.06516	0.3
109.10136	0.7
110.03661	0.5
110.86921	0.2
111.04414	0.6
116.36085	0.3
119.04928	24.0
119.08575	0.9
121.10116	0.9
123.04442	0.3
123.08047	0.3
123.11682	0.8
125.05977	7.8
125.09655	0.4
127.03891	0.8
131.08524	0.4
133.10101	0.4
135.11696	0.7
137.05949	0.5
137.09599	0.3
138.02094	0.2
139.03941	0.2
141.05486	0.7
141.89726	0.3
145.10103	0.5
147.04388	100.0
148.04692	1.1
149.01370	0.3
149.05956	1.1
149.13251	0.4
151.03889	23.6
151.04945	1.1
151.07559	0.8
156.25381	0.3
159.11668	0.5
161.09653	0.3
163.11218	0.3
165.05484	1.2
165.09132	0.4
168.92473	0.3
176.08078	0.2
179.07011	6.8
182.93285	0.2
190.53558	0.3
197.08067	32.2
203.18016	0.3
257.04327	0.3
281.28845	0.3
287.05640	0.6
291.08698	1.3
295.26379	0.3
307.26337	0.5
309.09805	4.6
325.10370	0.4
353.10007	0.9
416.24127	0.3
459.34540	0.4
505.14325	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01852	1.3
55.05493	2.9
57.07050	1.2
59.36883	0.8
67.05494	8.2
67.15958	0.9
68.99773	1.9
69.03416	5.6
69.07058	4.6
71.04970	1.4
71.62153	1.0
71.62619	0.7
79.05479	6.8
81.03400	2.1
81.07042	10.3
83.04954	2.4
83.08591	2.6
85.02879	1.4
85.06527	1.9
91.05461	6.7
93.07021	9.1
95.04947	3.3
95.08587	9.3
96.08902	1.0
97.06515	2.6
97.10143	1.3
99.04388	1.0
105.07012	9.4
107.04936	2.2
107.08578	8.3
109.06480	2.1
109.10133	5.9
111.04425	1.8
111.08061	2.1
115.05384	0.8
117.06992	2.0
119.08553	7.5
121.06483	2.5
121.10117	6.6
123.08051	0.8
123.11680	2.0
125.09582	1.7
128.06171	1.9
129.05453	1.9
129.06998	2.6
131.08557	5.8
133.06477	1.0
133.10132	4.8
135.04413	0.9
135.08022	2.3
135.11699	2.8
137.05920	0.8
137.09608	1.6
139.03886	0.9
142.07727	0.9
143.08516	2.7
143.40672	0.8
145.06462	1.8
145.10095	6.2
147.04424	1.1
147.08049	2.1
147.11670	5.8
149.09605	2.1
149.13268	1.2
155.08504	1.2
157.06519	2.0
157.10133	4.0
159.04449	2.2
159.08057	2.3
159.11667	4.7
161.05940	8.1
161.09554	2.1
161.13220	1.9
163.11189	1.3
163.14859	2.2
165.09033	1.2
169.10168	1.4
171.08012	1.5
171.11638	2.2
173.06018	1.2
173.09575	0.8
173.13274	3.8
175.03896	1.4
175.07582	1.6
175.11104	1.0
175.14857	3.2
177.05484	2.2
177.16403	1.8
181.10001	0.8
183.11691	1.2
185.05972	13.1
185.13228	1.9
186.06641	1.3
187.07513	5.6
187.14761	4.8
189.05463	2.0
189.12804	1.6
189.16408	1.7
191.03319	1.3
191.06929	4.4
191.14343	1.6
193.12173	0.8
195.08081	1.0
195.11671	0.8
197.13074	1.1
198.06787	0.9
199.14848	1.7
200.04753	1.2
201.05466	1.9
201.16316	3.9
203.03456	1.5
203.06990	25.9
203.14334	1.2
203.17976	1.4
205.04915	3.0
205.12257	1.0
205.15825	3.7
207.11742	1.1
209.13368	1.0
209.15308	1.0
211.14896	1.0
213.05440	2.5
213.09026	1.5
213.16393	1.5
214.06245	4.4
215.06978	12.8
217.04915	4.2
217.08464	5.1
219.17361	1.2
221.15282	1.3
223.07430	1.0
223.13231	1.3
225.05569	1.1
227.06966	3.1
229.04984	3.4
230.05734	1.0
231.06479	32.6
231.13976	0.8
232.07237	9.9
233.08049	16.6
239.17865	1.1
241.08527	15.1
245.04489	1.3
245.08089	1.9
253.19493	0.8
255.06561	2.8
256.07275	1.2
257.04431	15.3
258.05051	1.3
259.05719	1.1
259.06717	1.1
259.09610	16.3
271.06009	1.3
273.07510	4.9
274.08356	1.3
287.05569	0.9
309.07544	1.3
315.10333	0.9
317.08157	1.2
331.09689	1.0
333.11157	1.8
334.08383	1.9
335.09198	2.1
345.07672	1.0
348.06256	1.0
353.10504	1.7
355.06165	1.9
356.10428	0.9
357.07407	1.7
357.11240	3.1
359.09134	2.3
360.09805	1.0
361.10831	1.8
365.08423	1.2
367.09586	1.7
369.07611	2.3
370.08417	1.5
372.06161	1.1
373.06973	2.7
374.07559	0.9
375.12192	7.2
380.06677	1.7
381.07416	3.0
381.11713	1.3
383.05292	2.1
383.09384	1.3
384.10071	2.4
385.10538	4.4
387.08575	2.3
388.09488	0.9
391.08511	1.6
393.07425	1.1
394.08218	1.6
397.07114	2.5
398.07889	2.1
399.08475	2.6
399.12857	1.6
400.06039	1.1
401.06143	4.3
402.11246	1.8
403.12042	5.8
405.09671	1.7
405.31512	1.9
409.10733	7.1
410.11551	1.5
411.08679	1.2
412.09235	2.0
415.08081	3.6
416.08856	1.5
417.13403	2.1
419.07977	1.2
421.12955	1.2
423.32806	1.3
427.11807	11.4
428.12347	2.4
429.09927	2.5
430.10379	5.7
433.09201	7.7
434.92838	0.8
444.12048	1.1
445.12753	26.7
446.13217	0.9
447.10760	2.3
451.31763	1.8
459.34811	12.6
461.12280	1.6
462.13031	3.0
463.13843	33.4
464.14236	1.3
469.12839	2.8
469.32281	1.1
480.49673	0.8
487.06824	1.7
487.13821	28.2
487.20798	1.7
487.34262	2.3
488.14465	1.3
505.14865	100.0
505.27615	4.0
506.15240	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	505.1487
Annotation	Bequinostatin A
Peak:m/z	Relative Intensity
52.68421	0.6
55.05502	1.1
55.78328	0.5
57.01537	0.5
58.38708	0.6
60.33771	0.5
62.21188	0.5
67.05483	2.4
68.99779	1.4
69.03416	6.6
69.07042	0.8
71.05002	0.7
72.68857	0.5
79.05470	2.1
81.07041	1.8
82.07406	0.7
83.08628	0.6
90.79062	0.6
91.05453	1.2
93.07038	1.6
95.04969	0.6
95.08581	1.6
101.34673	0.5
104.30659	0.6
105.07014	1.6
107.04944	0.9
107.08586	1.7
109.10170	1.5
111.04412	1.8
115.56083	0.6
119.08569	2.7
120.08909	0.6
121.10120	1.0
128.06236	1.2
129.05450	1.6
129.06979	1.5
131.08568	0.9
133.10101	1.2
135.11708	0.9
143.08604	1.2
145.06442	1.3
145.10062	1.0
147.11688	1.2
153.01796	0.8
157.06511	1.7
157.10133	0.9
158.07266	0.7
159.04396	2.4
159.08083	0.8
161.05946	8.6
161.13213	1.0
171.11627	0.7
173.11649	0.6
175.07524	1.5
175.14725	0.7
177.05547	1.0
185.05939	12.8
186.06677	1.4
187.07542	5.1
189.05412	1.1
190.06229	0.7
191.03281	0.6
191.07031	4.7
198.06767	0.7
199.03976	0.7
199.07553	0.9
200.04671	1.4
201.05415	1.2
203.03369	0.9
203.07005	26.6
204.07661	0.8
205.04976	2.5
213.05414	2.8
213.08974	1.3
214.06186	4.0
215.06998	16.6
216.07559	0.6
216.31978	0.5
217.04944	3.3
217.08542	4.7
225.09161	0.7
227.06975	4.0
229.04955	1.0
231.06491	30.8
232.07256	10.6
233.08032	17.2
241.04900	0.8
241.08572	13.9
241.10982	0.8
243.06474	0.8
245.08060	2.9
253.08662	1.1
255.06497	2.4
256.07266	1.9
257.04324	1.3
259.06793	1.1
259.09650	17.9
259.20370	0.8
271.09641	0.8
273.07391	6.1
274.08301	1.5
287.10938	0.7
305.08105	0.8
314.09338	0.7
317.08209	1.1
324.07794	0.8
328.07370	0.8
329.11603	0.8
333.07663	1.3
333.11322	2.3
334.08139	1.0
335.09134	1.8
338.09152	1.2
339.10336	0.6
341.08011	1.4
342.08786	1.6
345.07672	1.4
346.08234	1.0
352.07242	0.7
355.05850	1.4
355.09769	1.1
356.06656	1.8
356.10519	1.1
357.07480	1.3
357.11252	4.4
359.05377	0.9
359.09225	1.9
360.09732	1.5
361.06818	0.8
361.10782	1.2
366.08908	0.7
367.09570	1.2
369.07672	1.6
370.08322	1.6
371.08939	0.7
373.06992	2.8
373.11017	0.7
374.07730	0.9
375.12228	7.9
380.06738	1.2
381.07361	2.0
381.11319	1.5
383.05380	2.1
383.09186	1.3
384.09964	3.0
385.10718	5.3
387.08624	2.0
388.09344	0.8
388.27902	0.6
391.09210	2.1
394.08441	0.7
397.06796	3.4
398.07629	2.6
399.07846	2.8
399.12534	2.1
400.05527	0.6
401.06183	5.1
401.10712	0.6
402.10977	2.2
403.11707	4.0
405.09912	0.9
409.10681	7.0
410.11346	1.2
411.08688	1.1
412.09183	3.2
413.10083	0.9
415.08112	4.1
416.08655	1.3
417.13452	2.4
419.07538	1.6
420.08200	1.2
421.12988	1.7
425.10336	0.7
426.11133	1.1
427.11710	12.1
428.12393	2.2
429.09586	2.0
430.10361	6.1
433.09070	6.1
444.11969	2.1
445.12750	31.2
446.13312	1.4
447.10657	2.7
462.12964	4.3
463.13831	33.6
464.14377	1.0
469.12769	3.2
487.13800	35.0
488.14490	1.6
505.14871	100.0
506.15128	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	504.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01849	1.7
55.05504	4.3
57.03438	2.9
57.07066	7.6
59.05002	0.5
61.02675	0.4
61.02918	4.4
63.08060	0.4
67.05495	1.6
69.03426	7.5
69.43659	1.0
69.44067	3.1
70.06589	0.7
71.04979	1.1
73.02899	1.7
78.34802	0.4
79.05468	0.5
81.03418	3.7
81.07040	1.6
83.08590	2.4
84.04453	0.5
85.02895	45.1
87.04444	0.9
89.06022	21.4
90.16286	0.4
91.03925	2.2
91.05431	0.5
95.08602	0.6
97.02271	0.7
97.02887	13.0
98.21443	0.8
99.04444	2.0
101.09644	9.8
107.07059	21.5
109.02871	3.8
109.10140	3.0
110.10458	1.2
118.14555	0.4
119.04897	0.7
121.06509	0.6
123.04367	0.7
125.02345	0.5
127.03903	11.4
135.08014	0.8
137.05959	2.5
137.09599	3.7
138.06308	0.6
138.09940	1.5
145.02928	0.9
145.04941	16.2
147.04390	0.8
161.05896	0.6
163.06026	5.9
163.13278	100.0
164.13675	0.7
165.09067	2.7
166.09468	1.9
177.05479	2.5
178.05920	0.5
191.03391	1.1
325.11148	0.6
326.91931	0.4
343.13538	1.0
459.25708	0.4
473.15491	0.7
504.18140	2.0
504.25439	0.6
505.18109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.5
53.03933	3.7
55.01863	2.6
55.05503	32.0
57.03418	1.9
57.07066	11.0
65.03937	1.1
67.05494	17.5
69.03433	1.3
69.07060	31.2
69.62708	0.6
70.75481	1.5
71.04969	1.6
71.08618	8.7
79.05481	12.0
81.03406	68.6
81.07044	15.8
83.04963	2.7
83.08604	38.8
85.06525	1.0
85.10165	2.7
89.06026	0.6
89.97153	0.5
91.04883	0.7
91.05465	17.0
93.07029	8.1
95.04955	19.8
95.08588	7.3
97.02882	2.5
97.06522	1.4
97.10155	22.1
99.08061	0.8
105.07020	12.3
107.04933	5.0
107.08587	3.8
109.06497	2.2
109.10158	3.6
111.04429	1.5
111.08080	5.5
111.11695	7.4
115.05486	1.1
116.06252	0.7
116.71679	0.5
117.07034	2.1
119.04965	1.1
119.08575	10.8
121.06503	3.1
121.10107	5.1
123.08038	1.2
123.11698	1.5
125.13225	2.6
128.06203	0.9
129.06976	7.0
131.08545	6.2
133.06499	2.2
133.10121	3.7
135.07970	0.6
135.11688	2.1
137.09575	1.7
139.14781	0.6
141.06921	0.6
142.07767	1.7
143.08521	0.7
145.10088	2.3
147.08014	2.8
147.11671	5.5
149.09610	4.0
157.10106	7.5
159.11761	0.7
163.11177	0.7
165.12747	1.3
167.21707	0.5
169.10201	0.6
171.11652	1.0
173.13437	0.5
175.11157	7.7
185.13127	0.7
187.13367	0.6
187.14900	0.7
193.12222	25.7
194.26332	0.5
211.13271	0.6
231.13870	0.9
237.22163	1.4
249.14787	5.9
275.20044	0.9
389.97345	0.6
485.32809	0.7
503.37302	100.0
504.37680	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.2
55.01870	4.0
55.05507	24.5
57.03413	5.0
57.07062	6.2
67.05508	22.2
69.03424	16.7
69.06769	2.5
69.07064	30.2
69.80428	18.4
71.04987	20.2
71.08588	3.1
73.02904	5.8
73.06536	3.5
79.05483	22.7
81.03394	6.6
81.07050	80.2
83.04975	9.3
83.08608	11.6
85.02897	15.2
85.06521	9.1
87.00797	5.3
91.05450	30.0
93.07027	53.4
95.04942	8.6
95.08597	87.8
97.02870	11.1
97.06508	11.6
97.10131	10.1
98.21376	5.4
99.04422	6.4
99.08089	6.1
103.05447	3.4
105.01826	3.3
105.07021	86.8
107.04930	3.9
107.08581	74.2
109.02835	8.5
109.06498	11.0
109.10143	38.7
111.08073	8.8
115.05415	3.8
117.03419	2.3
117.06984	11.5
119.08566	100.0
121.02826	5.1
121.06519	13.4
121.10123	49.4
123.04415	3.4
123.08038	12.9
123.11675	25.5
125.09618	22.0
127.03896	10.8
127.07584	4.3
127.11160	4.3
129.06955	6.6
130.07707	4.0
131.08554	42.5
133.06473	5.7
133.10121	86.4
134.10504	2.8
135.08025	14.7
135.11679	25.5
137.05943	6.1
137.09622	7.0
137.13293	5.2
139.11166	4.7
141.06978	3.2
142.07751	6.3
143.08540	23.7
143.10661	20.6
145.02861	4.8
145.04915	4.4
145.09009	5.2
145.10110	74.3
147.04366	4.1
147.08031	9.1
147.11668	56.9
149.05882	2.8
149.09608	8.3
149.13242	35.1
151.07446	3.3
151.11128	6.0
152.56595	2.4
153.12750	4.1
155.08534	3.6
156.09354	5.7
157.10100	30.8
158.10818	4.0
159.08047	4.6
159.11681	48.5
161.09572	15.9
161.13245	33.4
163.07564	4.6
163.11172	9.9
163.14812	23.1
165.09100	2.6
165.12704	5.0
167.14301	33.6
169.10110	6.6
169.12263	2.8
170.10878	6.5
171.11694	15.5
173.09563	8.1
173.13245	53.2
174.10233	3.2
175.11226	17.2
175.14806	41.8
177.05460	7.6
177.12740	6.5
177.16373	46.8
179.10638	5.4
183.11703	13.1
185.13252	25.8
187.11172	6.2
187.13124	3.4
187.14803	58.9
189.12721	18.7
189.16350	27.5
191.10657	3.7
191.14278	18.4
191.17903	3.7
193.12218	5.1
195.14005	2.8
197.13226	10.9
199.14806	20.7
201.12711	8.0
201.16360	57.3
203.14305	46.6
203.17943	10.7
205.15857	7.9
207.13771	3.1
209.13342	3.8
209.15356	5.7
211.14813	7.9
213.12897	4.3
213.16321	13.5
215.14346	16.6
215.17976	8.3
217.15805	13.0
219.13791	9.0
219.17451	24.9
221.15370	15.7
225.16310	4.1
227.14304	3.0
227.17900	9.0
229.15874	10.3
229.19426	6.1
231.13794	3.1
233.15366	18.0
237.16335	3.5
237.18416	3.4
241.19528	4.3
245.15302	7.8
247.16916	18.4
249.14713	4.9
259.16919	4.7
265.17856	5.0
267.15875	18.2
267.21158	3.4
269.22592	4.3
273.18457	5.0
281.17453	5.0
287.05475	6.4
287.23532	4.5
293.24869	2.8
299.05588	3.8
305.24695	11.2
323.25735	3.1
357.94510	2.7
365.24088	3.0
385.28384	2.6
391.29938	17.1
393.31769	3.4
403.29697	14.6
419.29382	13.9
421.31036	50.5
423.32410	7.0
431.29166	5.4
437.30447	25.5
439.32089	34.5
441.33124	3.3
449.30511	16.6
457.33173	83.9
467.31519	20.3
485.32077	8.8
503.34534	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	503.3359
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
55.05509	8.2
67.05495	22.4
69.07055	7.2
69.48699	30.4
71.04947	4.3
79.05476	17.7
81.07057	29.0
83.08580	6.4
91.05463	16.7
93.07014	27.7
95.04977	5.7
95.08591	68.2
97.06558	5.1
100.46066	3.7
105.07004	34.5
107.08577	49.2
109.06512	6.1
109.10120	23.0
117.06998	5.0
119.08569	57.9
121.10122	46.9
123.08057	3.5
123.11779	8.6
131.08543	17.6
133.10112	26.5
135.11693	16.1
137.05928	6.0
142.07762	5.2
143.08560	12.4
145.10124	31.6
147.08003	5.8
147.11629	24.3
149.13193	23.0
151.07605	6.1
156.09300	20.9
157.10127	15.1
159.11665	23.9
161.09615	12.8
161.13243	16.9
163.11188	5.2
163.14767	23.3
171.11662	35.6
173.09584	5.1
173.13245	16.2
175.11179	6.2
175.14822	24.0
177.08897	3.8
177.16345	37.5
183.11710	7.0
183.15137	3.8
185.13223	10.1
187.11189	5.2
187.14819	16.0
189.12723	10.0
189.16385	27.0
191.14192	5.1
191.17879	19.1
193.15810	8.6
199.14853	5.1
201.12753	6.3
201.16414	7.2
203.14291	7.8
203.17943	20.5
205.12169	6.2
213.12701	7.0
213.16376	6.5
215.14296	6.0
217.15811	9.7
219.13660	4.4
231.13739	11.1
233.15414	5.9
235.16919	12.6
237.14949	4.1
245.15308	8.1
247.16986	3.9
249.14629	5.2
253.52029	4.5
279.15823	9.1
305.94196	4.4
325.21487	4.7
343.22269	5.3
345.04663	4.0
391.29883	8.4
403.29657	9.0
409.31003	7.2
421.30978	30.5
437.30313	14.3
439.32013	44.9
449.30338	7.8
457.33044	100.0
467.31427	25.2
485.32532	19.4
503.33353	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	503.3361
Annotation	Dianic acid
Peak:m/z	Relative Intensity
50.75046	4.8
55.05507	11.3
64.21893	4.8
67.05511	25.0
69.07046	16.2
71.03884	9.6
73.10899	5.5
79.05478	17.4
81.07048	42.7
83.04963	5.8
83.08593	5.6
91.05462	16.5
93.07029	30.9
93.56081	4.5
95.04970	5.4
95.08596	80.4
97.10146	4.8
99.08049	4.9
105.07039	44.2
107.08583	58.3
109.06467	5.8
109.10152	35.9
111.04521	5.3
113.05967	5.8
117.07044	6.5
119.08573	100.0
121.06479	7.2
121.10126	42.0
123.08031	8.1
123.11694	13.1
124.44558	5.1
129.06821	4.5
131.08548	21.5
133.10094	48.3
135.08044	8.9
135.11676	18.9
143.08507	12.8
145.10112	35.0
147.07991	7.6
147.11667	24.4
149.09592	7.3
149.12134	4.1
149.13245	16.7
151.07536	7.8
153.09074	7.3
156.09344	6.8
157.10059	19.3
158.10678	6.0
159.11659	31.1
161.09618	6.0
161.13258	20.2
163.07425	4.4
163.14798	19.5
169.10086	8.1
171.11681	15.9
173.09586	7.7
173.13269	27.7
175.11172	7.7
175.14798	40.0
177.12729	6.4
177.16422	38.1
183.11676	6.2
185.13252	14.1
187.11223	5.8
187.14812	27.6
189.12715	16.2
189.16362	67.6
191.14159	5.5
191.17897	35.4
193.15895	21.1
197.13292	7.1
199.14813	13.4
201.12769	21.9
201.16339	17.4
203.14287	12.0
203.17902	35.0
205.12204	7.2
209.13315	5.1
213.12654	12.3
213.16417	6.0
215.14313	18.9
217.15811	10.8
219.13870	7.9
221.15329	13.0
227.14272	9.0
231.13733	20.7
233.15433	7.2
235.16977	27.7
247.16827	7.7
249.14832	14.4
279.15930	9.3
295.20621	5.6
325.21579	15.8
375.47675	5.6
391.29810	8.6
403.29974	13.0
409.30920	11.0
421.30957	71.6
437.30444	44.3
439.31961	45.2
449.30200	11.3
457.33038	58.9
466.81650	5.3
467.31528	59.7
485.32635	10.3
503.33582	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25858	3.5
55.05488	13.4
57.07047	4.4
67.05482	16.0
67.38638	3.5
69.07053	10.5
70.61265	8.4
70.61597	3.2
79.05453	14.2
79.81763	3.2
81.07034	32.8
91.05463	18.3
93.07050	28.6
95.04916	4.2
95.08590	49.8
105.07007	50.4
107.08588	47.0
109.06490	9.7
109.10114	15.3
111.08013	3.8
117.07003	10.9
119.08566	84.9
121.06470	14.6
121.10132	35.9
123.08006	4.5
123.11654	7.6
129.07068	5.7
131.08557	34.9
133.10098	39.2
135.08054	12.4
135.11665	16.6
142.07721	4.4
143.08553	27.6
145.10098	77.5
147.08012	10.2
147.11674	25.7
149.09627	7.2
149.13222	15.8
155.08542	7.3
156.09340	5.7
157.10074	34.2
158.10841	5.6
159.08105	5.9
159.11655	42.8
161.09560	21.9
161.13260	21.4
163.11093	6.2
163.14792	20.0
169.10121	12.0
170.10844	10.6
171.11661	30.1
173.09497	3.6
173.13254	67.9
175.11154	13.3
175.14803	50.9
177.12779	5.4
177.16367	61.3
183.11659	13.9
185.13234	40.8
187.14795	71.4
189.12712	17.4
189.16338	28.6
191.14211	10.5
191.17813	8.2
193.15836	6.0
197.13225	11.9
199.14767	25.0
201.12755	7.6
201.16342	50.9
203.14313	38.5
203.17921	14.1
205.15860	8.5
207.13762	4.4
209.13321	4.2
211.14783	11.1
213.16380	17.5
215.14302	21.2
215.17894	10.4
217.15874	11.2
217.19554	5.8
219.13870	5.9
221.15297	19.4
225.16306	5.7
227.17905	7.5
229.15836	12.1
229.19418	7.2
233.15335	41.6
235.16844	7.7
245.15277	8.8
247.16856	17.1
249.14816	9.1
259.16953	8.9
263.16345	4.9
267.15900	11.0
281.17435	10.5
293.22534	4.0
373.28882	11.9
391.29733	10.5
403.30191	17.5
405.31296	6.3
419.29404	35.9
421.31000	39.7
423.32315	6.4
431.29449	4.4
437.30380	18.3
438.06705	4.8
439.31812	22.7
444.08704	4.2
449.30423	25.3
455.07291	5.4
457.33084	100.0
467.31296	12.2
473.08566	5.1
475.42737	4.0
485.32361	8.6
488.10980	50.1
489.11322	9.3
503.13385	11.8
503.33170	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	503.3362
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
53.03934	0.9
55.05500	1.8
63.14022	0.4
67.05502	3.4
69.03414	1.3
69.07057	2.5
70.68419	1.6
71.04984	0.5
79.05473	3.2
81.07040	6.8
83.04955	1.9
83.08602	1.1
85.06516	0.6
91.05445	3.7
93.07024	6.6
95.04942	2.1
95.08596	9.3
97.06512	2.0
97.10187	0.6
98.20753	0.6
103.05461	0.5
105.07022	10.8
107.08579	8.7
109.06507	1.6
109.10138	4.6
111.08020	0.8
113.09576	0.5
117.07024	1.5
119.08566	14.0
121.06483	2.0
121.10118	9.5
123.08065	1.4
123.11694	1.6
125.09576	0.7
129.07010	1.2
129.51900	0.5
131.08551	5.4
133.10114	6.9
135.08057	1.9
135.11690	2.9
137.09618	1.6
139.07498	0.7
141.06996	0.8
142.07730	0.9
143.08517	3.3
145.10103	7.9
147.08066	1.3
147.11670	4.9
148.09940	0.5
149.09558	3.1
149.13231	1.6
151.07573	0.5
153.09145	0.6
155.08563	1.2
156.09273	0.8
157.10103	5.4
158.10902	0.6
159.08044	1.2
159.11655	6.1
161.09592	4.1
161.13231	2.7
163.11156	2.0
163.14865	1.8
169.10118	1.6
171.11708	4.1
173.09612	1.6
173.13242	6.5
175.11192	1.6
175.14815	5.6
177.12730	0.6
177.16394	1.4
183.11618	2.5
185.13228	4.6
187.11151	1.6
187.14772	5.3
189.12723	2.5
189.16351	6.3
191.14317	0.9
191.17905	1.0
195.11653	0.8
197.13205	2.5
199.11174	0.8
199.14775	3.3
201.12689	1.6
201.16432	1.7
203.14247	2.6
203.18022	0.5
205.15842	1.1
207.11778	0.6
209.13289	1.1
209.15294	0.8
211.14848	1.6
213.12753	2.4
213.16377	1.2
214.16971	0.5
215.14310	2.0
215.17926	0.8
217.12302	0.7
217.15840	3.3
219.13770	0.7
223.14911	0.7
225.16531	0.8
227.14252	0.6
227.17992	1.1
229.15891	0.7
231.13873	1.8
231.17540	0.9
233.15353	0.9
235.16911	1.6
239.17992	0.6
241.19507	0.7
249.14821	1.7
253.19609	1.2
257.18945	0.6
267.15762	3.3
269.19061	0.5
271.20572	1.2
295.20755	0.7
325.21646	0.6
373.29056	0.7
385.28848	0.7
388.06149	0.6
391.29880	1.3
403.29965	1.7
413.06409	1.6
419.29834	0.6
421.31143	3.1
431.28983	0.6
437.30435	1.8
439.32294	2.4
439.88708	0.6
445.09332	2.1
445.86432	0.5
446.09882	5.9
447.10150	0.7
449.30301	2.8
457.33395	3.0
467.31812	5.2
485.32709	2.7
503.13397	9.5
503.33646	100.0
504.13669	1.1
504.34064	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3358
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
53.03920	3.7
55.05499	9.5
67.05481	11.7
69.03409	3.7
69.07037	10.1
70.67570	10.6
79.05473	10.5
81.07047	31.2
82.70191	2.9
83.04955	3.2
83.08595	4.1
85.28780	2.4
91.05453	15.6
93.07018	27.5
95.08028	4.1
95.08587	35.2
97.10138	3.0
105.07009	44.3
107.08575	47.6
109.06472	7.6
109.10112	15.5
115.05451	3.6
117.07008	7.9
119.08564	87.8
119.09436	4.1
121.06492	10.5
121.10123	32.2
123.08058	6.3
123.11667	3.0
129.06943	5.2
131.08543	36.5
133.10127	39.8
135.08055	14.3
135.11656	10.7
137.09517	3.2
142.07780	4.7
143.08537	16.0
145.10104	55.6
147.07990	8.9
147.11632	22.4
149.13202	15.2
155.08534	5.1
156.09323	5.7
157.10098	27.5
159.11665	37.1
161.09575	16.8
161.13222	25.9
163.11139	5.7
163.14784	22.3
169.10106	7.3
170.10828	7.2
171.11688	16.4
172.12309	2.9
173.09651	6.2
173.13235	38.8
175.11166	12.1
175.14796	41.3
177.12837	4.9
177.16364	49.2
183.11649	10.9
185.13200	24.3
187.11118	5.7
187.14798	65.1
189.12717	16.3
189.16353	25.8
191.14293	11.9
193.15865	6.0
195.11574	3.5
197.13191	8.1
199.14813	22.0
201.12692	11.5
201.16367	50.4
203.14291	40.2
203.17876	8.4
205.15825	6.4
207.13776	6.6
211.14813	4.5
213.16281	16.6
215.14267	17.0
215.17874	9.2
217.15855	7.4
219.13742	9.3
221.15248	17.5
227.14285	4.7
227.17908	11.4
229.15894	7.9
229.19458	5.6
233.15268	18.3
235.16887	5.1
237.14500	3.4
245.15350	6.9
245.19006	4.8
247.16948	21.5
253.19386	4.1
255.21022	4.5
259.16809	3.7
261.18466	3.7
263.16238	4.3
267.15826	14.5
273.18387	6.7
281.17438	6.1
306.85257	3.3
311.00583	3.2
391.29871	19.6
403.29742	15.3
419.29321	17.3
421.30988	58.4
431.29260	4.5
437.30484	24.8
439.31961	35.7
441.33664	4.7
446.09879	11.1
449.30518	13.8
457.33072	100.0
467.31607	22.8
485.32440	11.2
503.12952	12.0
503.33792	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	503.336
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
53.03934	5.0
53.08058	4.7
55.01855	5.7
55.05497	20.4
57.07063	4.9
64.33959	5.5
67.05492	25.8
69.03420	7.6
69.07066	28.6
70.20744	25.3
76.94633	5.3
79.05474	24.3
81.07050	61.3
83.04976	10.7
83.08604	9.4
83.12211	5.3
85.02887	7.2
85.06503	5.8
91.05454	32.1
93.07034	43.0
95.04939	9.1
95.08595	69.6
97.06483	7.4
97.10179	8.7
98.20773	8.4
105.07010	75.0
107.08571	79.2
109.06506	16.6
109.10136	36.1
111.08038	5.3
113.58599	4.9
117.07001	13.2
119.08571	100.0
121.06492	22.6
121.10125	44.3
123.08067	11.2
123.11682	12.1
125.09583	11.0
129.06982	6.9
131.08548	46.9
131.89056	5.5
133.06447	7.8
133.10104	61.0
135.08031	20.0
135.11681	22.3
137.05922	6.5
137.09622	6.0
142.07788	6.4
143.08545	21.2
145.10086	77.4
147.08037	11.0
147.11671	39.8
149.09599	15.0
149.13263	17.5
151.11172	6.9
153.06902	6.4
155.08513	13.0
156.09380	8.8
157.10133	34.2
158.10889	6.7
159.08032	7.9
159.11670	48.9
161.09584	26.6
161.13232	30.9
163.07559	7.0
163.11131	10.7
163.14783	27.6
169.10098	14.7
170.10861	8.5
171.11632	29.5
173.09605	10.7
173.13220	49.0
175.11205	15.1
175.14793	49.4
177.09106	8.2
177.12819	6.5
177.16374	38.9
183.11646	17.9
185.09557	6.0
185.13312	36.3
187.14824	48.9
189.12730	20.7
189.16328	35.6
191.14282	11.5
191.17917	12.4
195.11699	7.1
197.13266	22.4
199.14783	15.7
201.12756	16.0
201.16408	34.5
203.14299	66.6
203.17876	12.7
205.15881	9.8
211.14827	8.2
213.12700	14.3
213.16295	12.0
215.14346	24.7
215.17856	11.2
217.15923	11.6
219.13789	15.0
221.15408	12.8
225.16577	6.6
227.14384	6.4
227.17953	10.0
229.15834	12.9
229.19582	8.0
233.15361	33.7
235.16936	20.0
247.16917	35.7
249.14694	9.2
251.16289	6.6
255.21057	5.7
267.15918	41.2
276.55313	5.2
325.21661	16.3
385.28717	7.8
391.29852	21.2
403.29916	31.0
419.29233	7.9
421.31018	77.0
431.29175	7.3
437.30450	24.5
439.31995	40.9
449.30682	24.6
457.33154	98.9
467.31540	33.7
475.34253	8.2
485.33118	25.2
503.33951	25.6
508.72229	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	503.2478
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03924	2.9
55.01858	5.4
55.05502	12.2
57.03424	12.4
57.07066	1.9
57.50677	0.7
59.04972	1.9
61.02917	12.6
65.03925	1.2
67.05492	13.8
69.03075	1.4
69.03419	21.1
69.07057	24.4
71.01332	3.0
71.04980	3.6
71.62679	0.8
71.63036	0.9
72.19528	0.9
73.02906	100.0
75.29072	0.9
79.05478	10.7
81.03407	10.1
81.07042	40.0
83.04956	4.1
83.05379	0.9
83.08604	7.1
85.02891	38.0
85.06520	6.4
87.04441	3.9
91.05447	9.9
93.07033	23.0
95.04951	10.7
95.08592	32.6
97.02876	23.7
97.06516	8.3
97.10152	11.7
97.98949	1.0
99.04431	4.2
99.08063	2.5
103.03927	2.0
103.05438	0.9
105.03362	1.2
105.07015	16.3
107.04942	2.5
107.08575	25.8
109.02866	9.7
109.06484	7.2
109.10133	18.6
111.04412	3.2
111.08057	5.8
111.11684	3.6
113.05968	1.2
113.09631	1.1
115.03913	23.5
117.06998	1.8
119.04895	2.0
119.08561	12.4
121.02838	1.3
121.06483	4.6
121.10121	17.2
122.07270	3.4
123.04413	1.2
123.08047	20.0
123.11680	18.4
125.05920	1.3
125.09612	6.0
127.03909	14.5
127.07494	1.0
127.11150	1.6
129.06992	1.3
131.08559	7.8
133.04945	17.1
133.10112	17.3
135.08031	32.3
135.11671	13.5
137.05956	2.5
137.09583	4.0
137.13234	7.5
139.11139	7.6
141.05441	2.5
141.09131	0.9
141.12700	1.2
142.07733	1.0
143.08516	2.2
143.10641	2.4
145.02829	1.1
145.04939	13.3
145.10075	5.6
147.04362	5.0
147.07999	1.7
147.11642	10.8
148.08835	1.0
149.09584	4.0
149.13245	13.0
151.11136	2.5
151.14789	1.2
153.12746	2.4
155.14322	1.1
157.10115	3.0
157.12164	2.1
159.06488	1.5
159.08000	1.7
159.11678	5.9
161.09572	2.1
161.13210	5.1
163.06001	2.7
163.07407	1.7
163.11163	2.8
163.14748	4.8
165.09145	1.4
165.12743	22.0
167.14348	1.0
169.09995	1.2
171.07910	1.0
171.11671	2.8
173.09555	2.3
173.13245	8.1
174.13582	3.8
175.07469	1.2
175.11165	1.8
175.14754	6.0
176.11906	3.7
177.05426	2.6
177.12744	1.5
177.16338	1.6
179.14346	1.1
183.11658	1.1
185.09645	1.5
185.13226	2.2
187.11089	1.9
187.13232	2.0
187.14812	2.5
189.07472	2.7
189.12697	1.9
189.16328	1.3
191.14279	94.9
192.14690	1.9
193.15834	14.6
195.11899	1.0
201.16425	2.3
203.17912	1.8
205.12286	1.1
207.13799	3.1
209.13437	1.2
209.15315	22.0
213.16278	1.5
215.14333	1.5
223.05878	1.0
231.17513	1.2
237.18495	1.8
241.07130	1.5
249.11232	1.4
249.18362	1.1
252.82680	1.0
259.07947	1.0
269.22769	1.1
275.23459	1.5
279.64972	0.8
287.05380	1.1
287.23602	3.7
293.24686	2.0
297.16901	1.5
299.05649	0.9
305.24728	10.6
306.14163	2.2
313.03995	0.9
313.16177	1.0
323.25638	4.1
341.19446	4.6
353.19702	2.0
371.20679	6.2
383.25513	1.1
395.60886	1.0
401.26611	1.8
413.26886	2.6
419.27859	1.7
431.27768	4.2
437.28973	3.7
439.32074	0.9
449.28754	5.2
455.29834	2.0
463.85385	0.9
467.29922	3.8
477.79269	0.9
485.31128	1.2
503.24695	63.1
504.24963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01859	2.8
55.05504	10.9
57.03429	13.3
57.07065	2.3
59.04988	1.8
61.02919	14.0
67.05495	9.5
69.03422	19.9
69.07062	19.0
70.55888	2.3
70.56297	1.7
71.01342	3.2
71.04980	3.1
73.02911	94.4
79.05488	8.3
79.37894	0.9
80.50986	0.8
81.03404	8.3
81.07047	29.2
83.04976	3.1
83.08607	6.5
85.02898	39.0
85.06548	5.3
85.07005	0.8
87.04472	3.4
90.27188	1.0
91.03946	1.2
91.05463	7.8
93.07031	17.4
95.04947	9.7
95.08598	23.3
97.02882	22.7
97.06516	8.0
97.10163	7.9
99.04442	3.5
99.08077	1.3
101.06035	1.2
103.03926	2.1
105.07021	14.3
107.04946	1.1
107.08582	20.1
109.02866	9.2
109.06499	7.9
109.10143	18.1
111.04447	1.9
111.08080	3.9
111.11704	3.1
113.05973	1.3
115.03920	23.2
115.05286	1.0
117.06993	1.8
119.04982	1.3
119.08576	12.5
121.02071	0.9
121.02876	3.1
121.06519	5.0
121.10133	13.2
122.07299	2.9
123.04453	1.9
123.08052	22.0
123.11690	14.0
125.09615	3.3
127.03899	15.0
127.07515	1.5
129.06938	1.5
131.08536	6.0
132.08929	1.2
133.04955	18.0
133.10124	12.9
135.04405	0.9
135.08040	30.3
135.11664	8.9
137.05957	1.4
137.09618	4.5
137.13248	5.0
139.11137	5.6
141.05455	1.4
141.09058	1.4
143.08562	1.4
143.10681	3.3
145.04941	13.6
145.10097	5.9
147.04332	4.5
147.08044	2.2
147.11662	8.6
148.08859	1.1
149.09601	3.5
149.13232	10.2
151.11218	2.5
151.14842	1.0
153.12746	2.1
155.08572	1.4
155.10619	1.3
155.14180	1.2
157.10135	3.3
157.12270	1.7
159.06625	1.1
159.08037	1.1
159.11717	4.7
161.05927	1.3
161.09613	2.8
161.13260	3.9
163.06018	2.7
163.11191	3.5
163.14856	4.8
165.09172	1.5
165.12743	24.6
167.14323	1.2
169.10094	1.4
171.06532	1.7
171.11656	2.9
173.09644	1.4
173.13231	8.1
174.13591	5.9
175.14804	6.4
176.11966	4.1
177.05499	1.7
177.12740	3.1
177.16394	2.0
179.14313	1.6
181.12265	1.1
183.11681	1.3
185.09680	1.0
185.11671	1.0
185.13319	2.1
187.11226	1.8
187.13174	1.3
187.14757	1.8
189.07597	2.2
189.09210	1.0
189.12755	1.7
189.16333	2.0
191.14285	100.0
192.14612	1.7
193.15871	18.0
199.14885	1.3
201.09106	1.1
201.16411	2.7
203.14331	1.2
203.17979	1.2
207.13791	2.5
209.15352	21.2
213.12888	1.3
213.16307	1.3
225.16228	1.2
231.13882	1.7
231.17410	1.3
233.15379	1.1
241.07039	1.7
244.15450	1.4
249.11203	1.3
259.08228	1.3
269.22546	1.2
279.15988	1.3
287.05191	1.1
287.16370	1.1
287.23734	2.4
293.24838	3.0
297.17093	2.5
299.36511	1.0
305.24823	6.1
306.14188	1.3
323.25812	3.1
341.19461	4.5
371.20712	6.7
401.26782	1.2
413.26892	1.9
421.31332	1.4
431.27844	3.4
437.28940	2.0
449.28952	4.6
455.30536	1.1
457.32993	1.4
467.29544	4.5
485.31369	1.3
503.24832	68.0
504.25134	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2482
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
50.99426	0.8
55.05509	1.5
57.03431	1.8
61.02925	1.4
67.05493	2.5
69.03419	8.0
69.07063	2.7
69.13062	0.8
69.78549	1.0
69.78957	4.4
71.04992	2.4
73.02904	1.8
79.05488	1.7
81.03416	4.1
81.07066	6.1
83.04975	2.0
85.02895	13.7
85.06487	0.8
87.04449	1.3
91.03935	1.2
91.05468	1.9
91.96838	0.9
93.07026	3.2
95.04973	2.7
95.08581	4.8
97.02887	4.5
97.06512	1.3
97.10179	0.9
99.04446	1.5
99.08114	2.0
105.07012	4.2
106.56930	0.8
107.04941	1.0
107.08587	6.5
109.02895	2.4
109.06522	5.2
109.10176	5.1
115.03980	1.1
119.08598	3.8
121.02898	1.8
121.06546	1.0
121.10116	7.5
123.08073	3.5
123.11726	2.4
125.09588	1.0
127.03904	3.8
127.11218	1.0
129.88492	0.9
131.08589	1.2
133.06470	0.8
133.10150	3.6
135.08070	2.7
135.11719	1.5
137.05998	3.2
137.09605	7.8
143.08525	1.4
143.10710	2.4
145.04974	3.6
145.10146	2.3
147.04391	2.2
147.08069	0.9
147.11681	1.9
149.09612	7.4
149.13269	2.8
151.11163	22.0
151.12311	1.4
163.04008	1.2
163.14970	0.9
165.09102	1.9
165.12741	30.4
165.14101	1.5
171.11766	1.0
173.13266	2.0
177.05461	3.2
191.14290	5.5
193.15939	2.8
203.08157	1.3
207.06561	1.4
209.15349	100.0
210.15704	2.4
219.17291	1.2
237.18437	1.1
371.20642	1.8
409.00192	0.9
443.13525	1.0
497.14899	1.0
503.21036	41.9
504.21695	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2476
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
50.01358	0.3
53.03927	0.6
54.94583	0.3
55.01846	0.6
55.05492	0.6
57.03425	0.8
59.01165	0.3
59.43633	0.3
61.02900	0.9
65.03922	0.4
67.05480	0.6
69.03419	12.7
69.07048	1.4
71.01880	0.7
71.02262	0.8
71.04955	0.5
73.02886	0.4
79.05474	3.7
81.03379	1.1
81.07044	2.9
81.46781	0.3
83.04941	1.0
85.02891	7.4
85.06550	0.4
87.91930	0.3
88.69939	0.4
91.05460	2.0
93.07032	6.4
95.01300	0.7
95.04939	0.7
95.08582	1.3
97.02870	3.1
97.06530	0.7
97.67767	0.3
99.04419	0.6
103.05417	0.5
105.07011	7.8
107.04932	2.3
107.08559	1.6
109.02861	0.7
109.06483	4.5
109.10129	0.7
111.04419	9.2
111.11692	0.7
119.04942	0.5
119.08582	1.9
121.06491	3.0
121.10122	20.3
123.08050	2.3
123.11674	2.3
125.05982	0.4
125.07742	0.4
125.09613	1.0
126.51861	0.4
127.03878	1.3
131.08551	1.2
133.07628	0.9
133.10080	0.6
134.23015	0.4
135.08037	1.6
137.05952	2.8
139.03790	0.4
139.07541	0.8
139.11183	0.6
145.04936	1.4
145.10078	0.5
147.04369	1.6
149.09592	100.0
150.09981	1.2
151.11157	1.4
153.05440	11.9
153.08998	0.4
163.07469	0.7
163.14746	0.7
165.05452	2.4
165.12727	0.7
167.10646	28.0
168.10979	0.6
173.13239	2.1
177.05437	0.8
191.14278	9.9
209.15311	5.8
275.16443	2.3
287.16437	0.7
293.17438	9.3
305.17407	3.6
323.18460	7.3
329.15869	1.9
341.19662	2.5
480.31274	0.4
503.24673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.248
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
53.03929	0.9
55.05493	1.6
57.03428	0.5
57.07058	0.6
60.07727	0.5
65.03925	0.5
67.05487	2.0
69.03422	5.0
69.07056	2.4
69.87853	2.3
71.04972	1.0
73.02903	2.0
77.69569	0.4
79.05486	2.8
79.60596	0.5
81.03396	1.1
81.07045	5.8
83.04968	1.3
83.08575	0.7
85.02890	3.1
85.06513	0.6
91.05457	4.1
93.07035	2.9
95.04969	1.2
95.08579	2.1
97.02869	1.2
97.06506	0.8
98.20698	0.6
99.04430	0.7
105.07009	4.6
107.04924	1.7
107.08576	15.9
107.09289	1.0
109.02829	0.6
109.06488	5.5
109.10144	5.6
115.03910	0.7
115.05441	1.2
117.06985	1.9
119.04878	0.6
119.08542	2.0
121.02875	0.8
121.06477	1.6
121.10122	9.5
122.07272	2.6
123.08039	2.2
123.11652	0.7
125.09628	1.0
126.04340	0.5
126.09055	0.5
127.03900	1.8
131.08521	1.2
131.24748	0.5
133.10110	100.0
134.10376	1.3
135.08038	11.4
135.11642	1.6
137.05984	1.1
137.09596	54.4
138.09958	0.9
145.04926	0.9
145.10086	1.4
147.04376	1.1
147.11687	2.6
149.09599	1.2
149.13242	12.7
151.11177	3.2
158.10883	1.2
161.09622	0.7
163.14809	3.1
165.12747	2.0
173.13255	7.8
177.05489	0.9
189.29347	0.5
191.14282	58.5
192.14661	0.8
207.06519	0.9
209.15334	44.7
210.15666	0.9
239.54221	0.5
371.20688	0.8
491.46860	0.6
503.20798	10.8
504.21115	0.7
514.68054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03929	0.3
53.03941	2.6
55.01868	2.1
55.30781	0.3
57.03433	3.2
59.04968	0.4
61.02639	0.4
61.02921	3.3
63.97745	0.3
69.03423	19.5
70.18693	0.3
71.01328	0.7
71.04637	0.4
71.04987	5.1
71.57668	0.5
73.02930	1.5
73.03235	0.3
81.03410	22.5
81.07008	0.4
81.15132	0.3
83.01329	0.5
83.79318	0.3
85.02899	19.6
87.04444	1.6
90.61914	0.3
91.03931	1.1
91.05430	0.5
93.07013	0.9
95.04915	0.3
97.02885	7.5
99.04449	6.5
99.17041	0.4
105.07008	0.9
107.04948	0.4
109.02186	0.4
109.02862	2.4
109.06501	0.7
111.04417	1.4
114.38743	0.3
117.05476	1.5
119.04907	0.7
121.06488	0.6
121.10134	1.8
123.08064	0.5
123.11713	0.4
127.03923	3.0
133.07570	2.8
133.10068	0.3
134.05972	0.7
135.08060	0.8
137.05957	0.9
145.04932	2.9
145.07628	0.4
147.04378	1.2
149.08374	0.5
149.09596	9.5
153.05438	1.0
153.83301	0.3
160.07515	1.0
161.05775	0.4
161.07091	5.5
162.05453	0.4
163.07469	0.4
163.08675	4.3
165.05409	0.4
165.09076	0.4
167.10646	3.2
177.05341	0.5
178.07330	0.8
179.08138	1.4
189.06607	5.5
191.08150	5.2
191.14287	1.2
206.06812	0.6
207.07632	99.0
208.07971	1.2
209.15375	0.6
218.29745	0.3
219.07613	0.8
221.09221	0.7
231.07600	0.6
231.11305	0.4
247.10735	0.7
249.08665	1.5
259.10730	0.4
261.08627	0.4
287.10266	0.8
293.17422	1.0
305.11362	1.9
323.12341	32.3
341.13406	100.0
342.13824	1.9
345.24658	0.3
393.81607	0.3
400.03177	0.3
503.18112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.01867	0.9
57.03420	1.0
61.02909	1.1
65.03921	0.4
66.74854	0.4
67.05482	1.6
69.03414	3.0
69.07046	0.8
71.04985	1.0
71.62708	0.5
71.63087	0.6
73.02896	0.7
79.05493	2.3
81.03391	1.4
81.07059	2.8
83.04964	0.5
84.50946	0.4
85.02890	6.6
85.06536	0.5
86.09663	0.9
91.05463	3.1
93.07018	1.4
93.11810	0.3
94.04163	2.3
94.29405	0.4
95.04953	0.9
95.08582	1.6
97.02888	2.9
97.06527	0.5
99.04426	1.1
103.05472	1.0
104.06245	0.7
105.07009	6.7
107.04925	1.7
107.08573	1.7
109.02834	1.0
109.06512	2.6
109.10133	1.3
111.04364	0.4
112.90565	0.4
115.03938	0.4
115.05449	2.8
116.06195	0.6
117.06979	1.5
118.04165	0.5
119.04937	0.9
119.08546	3.4
121.02788	0.8
121.06483	0.8
121.10134	1.0
122.03633	6.1
123.08024	0.5
124.07439	0.4
125.09599	0.6
127.03895	2.1
128.06210	1.1
129.06958	1.4
131.04904	1.6
131.08545	0.9
132.05678	1.7
133.06454	4.2
133.10107	1.7
135.08028	0.8
135.11674	0.8
137.05954	100.0
138.06360	0.8
141.06967	0.7
143.04916	0.6
144.05693	0.7
145.04939	0.6
145.06485	0.8
145.10136	0.9
146.03624	0.5
147.04395	1.3
147.08000	3.1
147.11707	0.6
149.05954	1.5
149.09625	0.8
155.04906	0.7
156.05719	0.6
159.07976	2.8
160.05165	1.4
161.05952	13.5
163.03889	0.5
163.07588	1.1
163.11232	0.4
165.06940	0.5
165.09146	0.9
167.07047	0.5
168.08980	0.5
171.08026	0.6
172.05219	1.2
173.05879	0.4
173.13217	0.8
175.07521	27.0
176.17380	0.4
177.05463	0.9
177.09155	0.4
179.07010	1.8
179.08363	0.4
182.77618	0.4
184.05135	0.7
184.07269	1.4
185.07797	0.4
186.07849	0.5
187.07516	8.8
189.09050	0.5
189.12793	0.4
190.07755	1.6
191.08525	7.2
191.14282	1.0
199.05765	0.6
199.07506	7.5
201.09125	0.7
202.07806	2.1
202.09357	0.7
203.08586	3.9
203.10464	0.6
205.08420	0.6
206.07224	0.5
207.07983	0.6
208.08774	0.9
215.08516	0.4
217.08559	1.1
218.07245	1.8
219.08018	10.4
220.08743	2.3
231.08008	5.5
232.08784	1.2
233.09612	0.5
235.07520	1.1
235.11153	0.6
236.08336	2.0
237.09087	1.1
247.07484	3.5
248.08368	2.8
249.09052	1.0
251.10620	12.5
252.10986	0.5
259.07486	3.0
260.08328	1.5
261.09192	0.6
263.10696	2.4
264.07809	1.1
265.08713	1.0
270.12097	0.5
275.06967	0.6
276.07779	1.1
277.08466	2.1
279.10120	11.9
280.10919	1.4
281.08017	0.8
291.10086	8.2
292.10852	2.9
295.09949	0.6
295.13290	1.3
296.10489	1.1
308.10370	0.5
311.12726	32.6
312.13132	0.5
323.12750	14.4
323.18591	0.6
329.14194	0.6
341.13892	1.0
455.31525	0.6
503.18149	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.2
53.03927	0.2
55.01864	1.4
55.05494	1.6
57.03424	1.0
57.07061	0.3
61.02903	0.6
65.03934	0.2
67.05495	1.4
68.99470	0.2
68.99799	0.6
69.03417	19.0
69.07059	1.8
69.67756	1.3
70.06566	0.2
71.04970	0.5
72.08137	0.2
73.02901	1.1
74.09705	0.2
79.05483	1.3
81.03409	0.7
81.07050	3.9
83.04958	0.8
83.08597	0.6
85.02895	8.6
85.06519	1.1
87.04478	0.3
91.05441	1.2
93.07027	2.6
95.04953	1.3
95.08035	0.3
95.08592	2.9
97.02875	56.9
97.06495	0.9
97.10143	0.6
98.03200	0.2
98.20764	0.2
99.04441	0.6
99.08064	0.4
101.06003	0.3
103.05445	0.2
103.57332	0.2
105.03374	0.7
105.07003	3.5
105.07664	0.3
107.04947	0.7
107.08583	2.5
109.02867	1.1
109.06475	0.7
109.10139	2.3
111.00764	0.7
111.04430	0.7
111.08064	1.1
111.11677	0.3
115.03902	2.6
117.06954	0.2
119.04931	0.4
119.08572	2.5
121.02848	10.6
121.06509	0.3
121.10104	2.4
123.04399	0.4
123.08057	0.7
123.11672	1.6
125.09606	0.7
127.03896	2.9
127.07546	0.2
127.11182	0.4
129.07008	0.3
131.04848	0.4
131.08548	1.4
132.10211	0.4
133.02844	0.6
133.04974	0.5
133.06470	0.5
133.10115	2.5
135.04448	0.4
135.08017	0.6
135.11664	1.0
137.02298	1.1
137.09595	0.5
137.13257	0.3
139.03871	0.6
139.11154	0.6
141.01797	0.5
143.08543	0.5
143.10629	0.4
145.02817	0.4
145.04929	0.4
145.06435	0.3
145.10097	1.5
147.04405	1.8
147.11664	4.6
149.02339	0.2
149.09578	0.3
149.13217	1.1
150.09978	0.2
151.03854	0.2
151.11151	0.5
153.01797	3.3
153.12759	0.3
157.04936	16.5
157.10121	0.6
159.04424	0.3
159.11676	0.8
161.05984	0.2
161.09584	0.4
161.13246	0.7
163.11166	0.7
163.14839	0.3
165.01817	2.7
165.09094	0.3
165.12730	0.4
167.14267	0.3
169.06453	0.4
171.04396	0.5
171.11667	0.4
173.05937	0.3
173.09584	0.2
173.13243	3.1
175.03830	0.3
175.07521	0.2
175.14792	1.8
177.05461	0.5
177.12727	0.3
177.16336	0.2
179.10638	0.3
183.02846	1.2
185.05948	0.5
185.09627	0.2
185.13240	0.3
187.03879	0.8
187.11032	0.3
189.01784	0.2
189.05482	0.3
189.07100	0.2
191.14267	3.9
193.15935	0.3
197.05951	0.7
197.13400	0.3
199.14801	0.4
201.05417	0.4
201.09122	0.2
201.16333	0.4
203.03400	0.9
203.07039	0.3
207.08110	0.2
207.13724	0.2
207.17497	0.2
209.15381	0.6
213.05446	1.4
213.16269	0.3
215.03392	0.5
217.05092	0.2
217.07021	6.1
219.13873	0.3
221.04312	0.3
225.05409	0.3
229.04947	0.7
229.15625	0.2
231.06468	0.6
241.04944	0.8
243.06395	0.9
245.04282	0.4
249.03947	0.3
258.05164	1.2
259.05890	0.4
263.07092	0.3
267.06516	0.2
269.04355	1.0
271.05927	0.6
281.05203	0.2
281.07892	0.4
283.05905	0.6
285.03796	0.2
286.04623	0.5
287.05444	100.0
287.23618	0.5
288.05701	1.5
293.24774	0.3
295.05933	0.6
299.05450	30.9
300.06088	1.1
305.24799	1.3
309.07581	1.4
311.05435	2.8
313.03552	0.4
313.07010	3.4
315.05029	0.2
319.05670	0.2
321.07455	0.4
323.05484	2.2
323.25769	3.1
324.06241	0.6
325.03391	0.7
325.07126	0.6
327.04901	1.9
327.08551	0.6
329.06482	1.1
336.06271	0.2
337.07004	9.1
338.07657	0.3
339.04990	0.7
341.06549	2.7
353.06534	0.5
355.08151	1.2
359.07629	0.3
365.06500	29.5
366.06778	0.7
383.07535	14.8
384.07986	0.4
401.08817	1.7
413.26337	0.2
425.08597	3.5
431.27750	0.3
443.04138	0.2
443.09723	3.2
449.28595	0.3
461.10706	1.5
467.29727	0.4
485.10828	0.5
485.31018	0.5
503.11771	7.4
503.20615	0.7
503.32822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.9
56.00351	0.6
57.03421	1.1
60.55809	0.6
61.02912	1.4
69.03421	5.7
69.57121	0.6
70.75008	1.1
70.75381	1.2
73.02888	1.4
79.06446	0.5
81.03410	1.2
83.04962	0.6
85.02429	0.9
85.02903	12.6
87.04416	0.6
91.03924	0.9
97.02888	5.7
99.04414	0.7
101.00883	0.7
109.02859	1.1
114.88799	0.7
119.01878	2.2
121.01625	1.2
127.03912	6.2
131.01859	0.9
133.03427	1.3
143.01862	2.2
145.01587	0.8
145.03395	1.1
145.04915	4.9
147.04222	0.8
149.09598	1.0
155.01891	1.2
157.01669	0.9
157.03436	2.4
157.04579	0.6
159.03223	0.8
159.04965	0.7
161.02921	2.4
161.05513	2.5
161.55627	0.7
163.02696	0.8
170.06104	2.8
171.05032	0.9
173.02913	2.1
175.04457	1.8
177.04219	0.8
177.05997	0.7
183.05031	1.2
184.05759	2.6
184.55739	0.7
185.02969	1.6
203.03981	1.6
219.07135	1.9
221.05025	2.0
223.06639	2.9
224.06761	0.7
225.06424	1.7
227.03931	0.8
231.07185	2.4
241.07574	1.2
241.57242	1.0
242.08203	4.0
243.07822	0.8
245.05106	4.3
246.05182	0.9
251.08696	10.6
251.58815	1.2
263.06192	1.1
264.07620	0.8
265.07654	1.9
267.07535	1.0
273.08081	3.3
273.58127	1.7
274.08990	1.4
277.07672	1.2
280.91263	0.7
310.86581	0.6
321.10382	6.1
332.11215	1.8
337.09753	3.7
367.10818	2.9
368.11148	0.8
369.10648	2.9
381.11954	0.9
444.14743	0.7
503.11420	100.0
504.11844	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01865	1.3
55.05492	2.0
57.03419	1.2
61.02915	0.9
65.03928	1.2
67.05486	3.1
69.03418	29.9
69.07046	3.4
71.04984	2.2
73.02895	0.5
79.05496	1.8
81.03406	1.7
81.07053	7.3
83.04955	1.0
83.08608	0.8
84.21859	0.4
85.02895	9.6
85.06538	1.8
91.05447	2.6
93.07028	5.2
95.04961	1.6
95.08595	5.7
97.02876	85.3
97.06520	0.9
97.10165	1.2
99.04401	0.6
105.03371	0.8
105.07015	4.7
107.08576	6.4
109.02870	1.2
109.06510	1.6
109.10149	4.5
111.00803	0.7
111.04429	1.1
111.08077	0.8
113.09660	0.5
115.03928	3.6
117.06962	0.9
119.08559	5.6
121.02850	24.0
121.06474	1.3
121.10120	3.7
123.04398	1.0
123.08052	0.9
123.11693	2.5
125.09617	1.4
127.03881	3.4
127.07594	0.7
127.11154	1.0
129.07014	1.5
131.08560	2.4
133.06483	0.8
133.10115	4.1
135.08018	1.5
135.11685	2.4
137.02338	0.9
137.05995	0.6
137.09631	0.7
137.13242	0.7
139.03897	1.1
139.11084	0.7
143.08542	1.5
143.10628	1.1
145.06436	0.6
145.10130	2.9
147.04379	1.5
147.11668	2.5
149.09607	0.9
149.13220	1.9
151.07555	0.6
151.11186	1.2
153.01797	4.3
157.04944	23.5
157.10112	1.5
159.11684	3.1
161.09550	0.8
161.13242	1.8
163.03914	0.5
163.07533	1.0
163.14793	0.9
165.01834	1.7
165.12698	1.1
169.04970	0.5
169.10110	0.6
171.11664	1.5
173.09552	0.6
173.13222	2.6
174.13658	0.7
175.11211	0.8
175.14801	1.3
181.08475	0.9
183.02933	1.2
185.05963	0.8
185.13223	0.8
187.11232	0.7
187.14810	1.4
189.16295	1.1
197.13339	1.3
199.14827	1.7
201.12636	0.7
201.16350	1.3
203.14322	0.6
203.18042	0.7
211.14798	0.5
213.05414	1.4
217.07028	6.2
219.17442	0.7
225.12740	0.5
231.06409	0.7
239.14079	0.7
241.04880	0.7
245.15361	0.6
245.18884	0.5
247.21921	0.5
258.05328	0.8
287.05453	100.0
288.05896	1.5
299.05356	0.6
305.24646	1.9
311.16257	0.5
311.19995	0.8
323.25577	1.4
421.30658	0.6
439.32043	0.9
449.29788	0.9
467.31082	0.7
503.29572	0.9
503.34616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01863	9.3
57.07074	7.8
59.04998	1.7
67.05492	5.9
69.03422	10.7
69.07056	8.9
70.02958	7.8
70.03791	1.4
70.06580	3.2
71.04987	2.7
71.62222	2.0
72.04510	23.2
73.02892	13.7
74.02441	2.0
74.06048	2.5
74.60702	1.3
81.03413	14.1
83.04971	7.3
85.02907	12.6
85.06544	10.7
86.09696	5.7
87.08099	2.8
90.05550	31.0
90.06061	2.8
91.05468	1.9
95.04951	11.7
96.08129	2.7
97.02878	12.4
98.02409	19.3
99.04441	7.4
100.03971	7.2
103.03934	2.2
103.07565	4.9
109.02869	27.7
111.04435	1.3
113.05978	7.3
115.03923	1.9
116.03446	22.3
116.07096	2.6
117.03362	2.9
119.04919	2.6
121.02857	26.2
121.06465	2.2
124.07577	20.6
127.03900	12.9
130.08597	1.6
131.07048	2.4
132.06555	8.2
138.05510	2.7
139.03848	1.8
142.08630	25.9
144.06531	2.3
145.02870	7.0
145.04950	10.3
147.04407	9.2
149.58714	1.4
152.14856	1.4
153.64886	1.4
156.10104	1.6
160.09686	5.3
166.08620	4.4
172.09662	4.4
174.11256	7.3
177.05421	9.6
178.05797	2.2
181.04872	2.3
184.06081	2.0
184.09673	38.5
193.08501	1.8
198.07613	4.0
199.06027	4.3
202.10727	100.0
203.11534	2.4
211.09615	10.8
216.08578	6.8
217.07133	2.5
220.11800	16.1
230.10257	14.2
234.09688	10.6
244.11728	2.2
262.12808	17.0
310.12802	11.1
328.13870	67.6
329.13965	1.7
330.37744	1.4
334.65866	1.8
346.14948	17.8
364.15939	18.7
372.12653	2.0
484.07251	1.5
484.18076	34.7
502.18686	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3205
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
52.53585	2.8
55.05509	9.3
57.03404	3.5
57.07058	2.6
60.71159	2.8
61.58850	2.8
67.05495	18.3
69.03410	5.9
69.07050	11.3
71.04974	3.5
79.05476	12.2
81.07047	28.7
83.04968	7.7
83.08580	5.6
91.05458	19.3
93.07039	26.2
95.04941	8.0
95.08591	36.3
97.06509	3.6
97.10165	4.3
105.07005	41.4
107.08582	45.1
109.06522	7.9
109.10153	15.5
111.08073	5.0
113.06005	4.1
117.06987	8.3
119.08566	65.4
121.06432	6.3
121.10126	30.9
123.08049	6.3
123.11689	5.2
125.06033	2.8
129.06963	6.6
131.08560	28.3
133.10098	27.6
135.08015	8.4
135.11673	12.1
137.05971	8.8
139.03877	3.0
142.07762	4.8
143.08577	18.2
144.09355	3.0
145.06441	4.5
145.10098	50.2
147.08058	5.9
147.11702	20.5
149.09554	6.3
149.13254	8.9
151.07530	5.7
155.08546	7.2
156.09335	9.2
157.10109	22.9
159.08046	7.7
159.11681	31.2
161.09593	10.5
161.13243	22.3
163.07513	7.8
163.11182	5.7
163.14885	16.7
167.07083	4.4
167.08577	3.0
169.10100	12.0
171.11655	22.3
173.09659	6.3
173.13242	28.4
175.11169	7.3
175.14786	25.6
177.09125	2.9
177.16382	31.1
179.10634	2.8
181.10083	4.0
183.11667	11.3
184.07420	3.1
185.13246	15.6
187.11122	7.0
187.14813	45.5
189.12773	12.3
189.16376	25.1
191.10635	3.8
191.14233	5.9
191.18005	4.2
195.11655	4.7
197.13205	6.8
199.11237	5.5
199.14859	14.5
201.12749	13.3
201.16321	28.4
203.14288	8.4
203.17929	4.7
205.12239	6.2
207.13757	3.9
209.13252	7.5
210.47908	3.2
211.14815	7.9
213.12726	8.4
213.16382	12.8
215.14301	6.3
215.17896	8.9
217.12160	5.4
217.15872	4.8
219.13715	8.8
221.15343	4.7
223.14767	3.9
225.16298	2.9
227.14343	6.4
227.17979	3.4
229.19418	3.9
229.72871	4.3
231.13806	9.4
233.15331	4.8
235.16948	9.0
245.15321	11.1
247.16879	6.9
249.14731	15.5
255.17209	4.0
263.16434	4.7
265.14331	20.4
279.15857	3.8
307.18848	3.0
341.20990	3.4
347.66675	2.8
357.98969	3.4
373.28693	4.5
389.28320	4.9
391.29861	4.9
401.27988	6.2
403.25110	3.1
407.29395	4.4
419.29434	25.9
421.30652	3.7
425.30783	3.3
435.28882	8.2
437.30429	41.1
447.28888	4.9
451.47751	3.0
455.31482	100.0
456.31918	6.4
465.29730	26.3
483.30908	17.6
501.32266	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	501.3201
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
53.03923	3.2
55.01865	3.3
55.05500	12.7
57.03400	2.0
57.07064	2.2
60.74598	1.8
65.03929	1.7
67.05499	16.6
69.03415	7.9
69.07058	15.2
69.43616	18.7
71.04984	3.7
79.05478	14.3
81.03395	6.9
81.07043	37.2
83.04993	9.5
83.08598	5.4
85.02879	8.6
85.06535	5.7
91.05463	25.6
92.44427	2.0
93.07036	26.3
95.04935	11.5
95.08589	31.4
97.02867	4.4
97.06508	9.5
97.10151	12.2
98.21504	3.9
99.04426	4.4
104.65851	1.9
105.07009	45.8
107.04944	2.1
107.08574	35.8
109.02837	3.7
109.06490	9.7
109.10126	24.2
111.04476	2.7
111.08060	4.9
113.06029	2.2
115.05443	5.1
117.06984	11.9
119.08562	59.9
121.02855	3.4
121.06484	8.9
121.10124	24.1
123.04430	3.9
123.08065	8.4
123.11658	11.8
125.09599	7.7
127.03932	4.6
128.06203	3.7
129.07007	8.9
130.07765	2.0
131.08540	32.0
133.06422	3.3
133.10101	30.8
135.08064	10.8
135.11661	12.2
137.05998	2.8
137.09557	6.1
139.03896	26.1
139.11166	3.6
141.06978	2.6
142.07755	4.7
143.08536	27.5
143.10701	3.9
144.09291	5.3
145.06447	2.7
145.10104	47.8
147.04352	1.9
147.07993	8.6
147.11668	26.1
149.05942	3.0
149.09595	8.2
149.13226	10.8
151.07481	4.3
151.11143	3.5
155.07362	1.6
155.08495	11.0
156.09352	11.2
157.10107	35.8
158.10899	4.3
159.07999	6.3
159.11656	31.3
161.09653	13.7
161.13243	23.1
163.03908	5.9
163.07478	2.3
163.11127	4.2
163.14792	6.2
165.09084	5.8
165.12761	2.4
167.10602	3.5
168.09323	2.8
169.10124	10.1
170.10892	7.7
171.11671	29.4
172.12009	2.7
173.09569	6.8
173.13239	33.3
175.11180	6.6
175.14839	21.5
177.05431	2.9
177.09125	3.2
177.12721	4.2
177.16397	4.3
179.08536	3.3
179.10664	3.1
179.14282	2.7
181.10121	5.4
183.11649	16.3
185.09686	4.4
185.11583	3.4
185.13228	54.7
187.11098	6.4
187.14798	26.1
189.09071	2.6
189.12758	12.5
189.16386	6.2
191.14264	5.4
193.10020	3.1
193.12222	4.5
195.11674	7.8
196.12340	2.3
197.09692	2.5
197.13225	11.0
199.11163	3.2
199.14786	32.1
200.08638	1.8
200.15118	2.8
201.12682	9.6
201.16374	22.0
203.14287	35.6
204.04948	2.1
207.13770	2.8
209.13200	7.1
209.15179	2.8
211.14798	8.2
213.12712	5.7
213.16312	11.0
215.14305	5.0
215.17972	3.8
217.12219	3.5
217.15871	4.6
219.13753	5.7
221.13239	3.5
223.14775	4.0
225.16389	5.3
227.14302	2.6
227.17853	8.5
231.13768	4.9
233.15320	7.9
235.14864	3.1
237.16272	3.5
239.14099	2.3
239.17918	4.1
241.19467	3.8
242.91766	1.9
245.15384	12.2
247.13196	6.5
247.16977	4.7
249.14752	3.7
251.17859	5.9
253.19420	7.1
255.20930	2.2
257.15286	2.5
259.16992	3.7
263.17975	2.6
265.19461	2.7
267.15839	2.1
267.20963	3.2
273.18423	6.5
277.19589	2.5
285.18689	3.7
285.21964	3.0
303.23303	3.3
309.20480	2.9
321.24396	2.4
323.20050	2.1
333.17236	2.2
363.23264	2.7
371.26898	2.3
373.28769	4.0
383.27332	3.7
389.28363	6.0
401.28348	13.0
403.29800	2.4
417.27756	12.3
418.27808	2.1
419.24860	2.4
419.29504	25.9
429.27332	3.8
435.28864	8.0
437.30478	26.3
447.28882	18.7
455.31442	100.0
456.31665	3.9
457.32977	4.5
465.19183	2.7
465.29999	29.0
473.32343	3.6
483.31085	22.5
501.32321	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	501.3202
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
51.02380	1.0
55.01855	1.3
55.05498	13.5
57.07063	2.1
57.73292	1.0
58.09633	0.9
60.43126	0.9
67.05494	10.7
69.03415	5.7
69.07054	15.7
71.03892	1.4
71.04234	2.6
71.04963	3.0
73.50941	0.9
79.05472	14.2
81.03402	4.8
81.07043	29.1
83.04971	6.5
83.08607	5.2
84.80276	1.0
85.02881	3.0
85.06530	4.2
85.07023	1.3
87.04446	1.3
91.05457	18.9
93.07025	23.2
95.04926	5.9
95.08590	29.6
97.02872	2.3
97.06523	4.8
97.10146	7.8
99.04486	1.9
101.06029	1.2
101.24824	0.9
102.00829	1.1
104.06264	1.0
105.07008	37.1
107.04956	1.9
107.08569	32.8
109.02839	2.3
109.06496	8.4
109.10133	17.2
109.63880	1.0
111.04453	1.3
111.08071	4.8
113.06004	1.4
113.79484	1.2
115.05441	2.1
117.06995	7.1
119.08556	59.8
120.66797	1.1
121.02885	4.1
121.06483	11.0
121.10118	20.8
123.04445	1.4
123.08055	5.7
123.11717	7.5
123.12521	1.4
125.06002	3.7
125.09589	6.0
127.07575	1.4
128.06190	2.4
129.07019	6.6
130.07770	2.6
131.08540	31.6
131.09488	1.6
133.06520	3.1
133.10098	28.2
135.08052	6.9
135.11658	10.3
137.05988	3.8
137.09610	3.7
137.13214	1.7
139.03867	8.0
139.11134	1.9
141.06999	3.6
142.07791	6.5
143.08537	26.4
143.10625	2.0
144.09296	2.6
145.10094	43.3
147.04395	1.2
147.08006	8.3
147.11656	26.3
149.05980	3.6
149.09604	6.8
149.13242	8.8
151.07527	2.1
151.11176	3.9
153.05489	1.0
153.09079	1.8
155.08545	7.8
155.10562	1.6
156.09291	8.7
157.06479	1.1
157.10098	27.5
158.10902	4.0
159.08047	3.0
159.11655	29.6
161.09590	11.8
161.13231	22.0
163.03850	1.9
163.07578	2.6
163.11130	6.7
163.14764	7.6
165.09106	2.8
165.12738	2.4
167.08574	2.4
168.09314	1.3
169.10048	9.5
170.10890	6.5
171.11644	22.3
172.12270	1.5
173.06017	1.1
173.09615	4.3
173.13231	30.9
173.14648	2.2
175.07684	2.5
175.11192	7.6
175.14790	21.1
177.09109	4.5
177.12767	3.7
177.16365	3.6
179.08487	1.5
179.10754	2.4
179.14301	2.0
181.10165	3.0
181.12262	1.8
182.10944	2.4
183.11668	13.4
184.12401	1.8
185.13216	52.3
187.07613	1.6
187.11208	3.8
187.14761	23.5
187.16370	1.2
189.09189	1.2
189.12700	16.1
189.16350	6.6
191.10640	3.7
191.14284	5.9
193.10179	2.3
193.12238	4.4
193.15907	1.4
195.11696	4.8
197.13229	11.7
199.11133	2.5
199.14778	29.0
200.15430	1.5
201.12701	11.3
201.16347	23.8
203.10719	2.2
203.14281	29.9
203.16121	1.8
203.17850	2.4
205.12251	2.0
205.16006	1.8
207.11810	2.3
207.13841	3.2
209.11569	1.6
209.13304	5.2
211.14752	7.5
213.12802	4.2
213.16353	10.3
215.14337	3.7
215.17905	5.0
217.12303	3.8
217.15927	2.5
219.13728	7.5
221.13281	2.5
221.15446	4.0
223.14807	3.3
225.12778	1.1
225.16382	5.7
227.14381	3.1
227.17860	11.5
229.12238	1.2
229.16022	2.1
229.19556	2.9
231.13857	4.8
233.15274	5.8
235.14937	2.7
237.14655	2.1
237.16666	2.0
239.14392	1.6
239.17986	4.9
241.15916	2.2
241.19568	3.2
245.15324	16.0
245.19107	1.7
247.16994	4.5
249.16637	1.8
251.18010	3.5
253.19531	7.8
255.17334	1.3
255.21155	1.7
257.15494	2.0
259.16910	3.4
265.14264	6.4
265.19415	1.8
267.16040	3.6
267.20993	2.3
271.16968	3.2
273.18503	5.6
277.19458	1.7
279.21124	3.6
285.18518	3.3
285.21902	1.9
297.18497	3.0
299.20035	4.1
303.23270	2.9
313.21793	1.5
317.22473	1.7
319.24387	1.2
321.24329	3.4
323.19965	1.9
325.21466	1.6
335.00885	1.1
363.23215	2.0
365.25269	1.3
373.28964	1.5
377.24625	2.0
389.28323	6.6
391.30179	2.5
401.28345	8.2
403.29959	1.7
407.29532	1.8
417.27924	3.8
419.29398	25.0
420.30334	1.6
421.31149	3.1
429.27435	1.8
435.28946	9.9
437.30710	23.8
439.32306	2.3
447.28699	10.6
453.29669	1.4
455.31509	100.0
456.32086	5.2
457.33145	3.1
465.29916	24.3
473.32751	4.6
483.31137	13.3
493.28110	1.1
501.32132	45.4
502.32755	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	501.3203
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
52.00999	1.8
53.03925	2.0
55.05497	3.9
67.05496	4.2
69.03445	1.8
69.07059	6.4
71.04960	1.9
79.05470	7.0
81.07047	18.8
83.04971	3.6
83.08613	3.0
91.05470	9.5
93.07043	14.5
95.04965	1.8
95.08596	23.5
97.06505	2.0
99.04433	3.3
105.07014	21.2
107.08587	22.9
109.06513	3.8
109.10136	8.2
111.08024	2.9
113.64383	1.7
114.08132	1.7
117.06997	4.1
119.08569	58.1
120.03492	1.7
121.06469	6.2
121.10122	19.8
123.08043	3.2
123.11681	4.4
129.06908	2.4
131.08551	18.9
133.10115	19.0
135.08031	6.1
135.11664	9.4
137.05968	5.5
139.00693	1.6
140.10764	1.7
143.08504	8.4
144.09302	2.3
145.10114	31.6
147.11682	17.1
149.09613	3.4
149.13254	11.9
151.07501	6.2
153.05412	2.4
153.09090	2.4
155.07137	1.7
155.08499	3.1
156.09291	7.8
157.10095	12.4
159.11653	21.6
161.09619	5.2
161.13229	17.4
163.11162	3.1
163.14793	18.8
169.10100	5.0
171.11670	20.3
173.09732	4.3
173.13249	17.1
175.10982	2.5
175.14812	23.0
177.09082	3.8
177.12633	2.2
177.16367	23.2
180.82759	1.7
181.10075	2.3
183.11696	5.1
185.13205	9.1
187.11137	5.6
187.14789	33.8
189.12711	8.3
189.16341	19.4
191.14259	3.6
193.15889	2.2
197.13290	3.8
199.11156	3.0
199.14815	8.8
201.12785	8.8
201.16359	37.9
203.14314	5.9
203.17879	3.9
205.12215	4.9
207.13686	3.5
209.13281	2.2
211.14897	5.0
213.12680	4.9
213.16367	7.2
215.14278	7.4
215.17920	6.2
217.12231	1.8
217.15791	3.9
219.13759	3.0
221.15321	7.2
227.14339	3.6
227.17793	2.6
229.19339	2.3
229.74251	3.0
231.13782	5.1
233.15276	7.1
235.16849	5.1
243.13817	3.4
243.17203	2.6
245.15341	3.5
247.16890	8.3
249.14917	2.2
259.16946	2.8
261.14764	3.7
263.16446	2.7
265.14328	15.8
267.15820	2.8
279.15866	13.1
281.17355	3.9
283.80713	2.2
289.17972	2.2
293.17319	3.1
307.18924	7.7
323.27240	2.1
387.42233	2.5
389.28256	3.0
395.17441	1.7
401.28284	4.9
407.29358	5.1
419.29327	14.6
421.31277	2.3
435.28644	5.2
437.30515	28.2
447.28949	3.6
453.29703	5.6
455.31509	100.0
456.31580	5.5
465.29779	9.6
483.31049	10.8
501.32016	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	501.32
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
54.64384	2.3
55.05501	5.7
67.05489	10.0
68.99795	2.3
69.03411	3.6
69.07046	12.4
69.74424	2.4
71.32833	6.4
79.05484	8.9
81.07040	32.9
83.04937	4.3
83.08612	3.7
91.04980	3.1
91.05447	16.3
93.07022	23.1
95.04936	5.6
95.08585	31.5
97.06523	3.6
97.10172	3.0
99.04445	4.0
103.05421	2.8
103.92813	2.5
105.07007	36.4
107.08564	35.5
109.05822	2.6
109.06499	9.1
109.10141	11.4
111.04380	3.1
113.05988	10.5
117.07012	9.0
119.08561	82.3
121.06490	9.2
121.10129	28.1
123.08019	6.9
123.11674	2.5
129.06992	5.8
131.08548	29.4
133.06531	3.0
133.10106	35.5
135.08032	8.5
135.11687	11.5
137.06001	5.6
142.07724	3.1
143.08531	17.4
144.09261	3.3
145.10097	51.2
145.11139	4.7
147.08034	8.0
147.11639	19.7
149.05917	2.9
149.09619	7.4
149.13220	14.2
151.07549	5.5
155.08524	5.5
156.09335	6.5
157.10138	20.7
158.10849	5.6
159.08063	5.2
159.11682	31.8
161.09575	11.0
161.13245	23.8
163.07512	6.3
163.14798	25.0
169.10065	5.4
170.10918	3.4
171.11690	21.4
173.09592	9.4
173.13225	28.7
175.11218	5.8
175.14790	39.0
177.09126	4.0
177.16362	51.8
181.08565	3.4
182.10893	3.6
183.11678	9.3
185.09581	4.1
185.13242	23.5
187.11159	8.8
187.14792	45.1
189.12740	14.0
189.16324	26.2
191.14305	8.0
191.17819	3.0
193.15778	5.4
197.13208	7.8
199.07599	3.2
199.11180	6.1
199.14780	14.9
201.12721	11.3
201.16339	41.3
203.14296	10.2
203.17946	8.7
205.12201	10.0
207.13809	3.0
209.13232	4.6
211.14774	5.3
213.12794	6.2
213.16304	12.3
215.14320	7.4
215.17986	7.2
217.12257	7.0
219.13748	7.4
221.15369	10.7
225.16319	4.1
227.17932	6.5
231.13742	19.0
233.15361	7.5
235.16891	8.9
241.19495	3.3
243.13817	3.6
245.15280	12.4
247.16982	8.6
249.14787	14.6
257.15439	4.9
259.16760	6.3
261.14856	3.3
265.14273	26.6
279.15894	11.6
307.19022	4.1
373.28775	3.9
389.28394	9.0
391.29764	4.8
401.28284	7.4
401.34000	2.6
407.29382	8.9
419.29361	48.0
420.29941	2.9
421.30908	7.5
435.28897	20.0
437.30527	54.2
447.28680	7.1
453.29922	6.5
455.31503	100.0
456.31741	6.1
465.29996	51.9
483.31122	12.7
501.32175	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3201
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
51.87267	1.4
55.01845	2.1
55.05501	8.9
57.07063	2.2
67.05486	8.5
69.03428	3.7
69.07054	9.1
71.04978	1.7
79.05474	8.3
81.07043	18.1
82.91044	1.4
83.04948	4.1
83.08585	2.4
85.48970	1.6
91.05473	12.9
93.07028	18.6
95.04935	4.0
95.08588	20.7
97.06524	3.3
99.04456	2.3
105.07012	35.6
107.08575	25.0
109.06483	7.2
109.10151	9.4
111.08037	3.1
117.06981	6.9
119.08564	49.5
121.06480	7.6
121.10110	20.1
123.08034	4.6
123.11716	4.7
125.05943	1.9
125.09585	2.3
128.06161	2.3
129.07013	7.4
131.08557	24.3
133.06488	1.9
133.10086	21.2
135.08061	10.3
135.11656	6.8
137.09564	2.7
137.13205	1.8
139.03848	4.7
139.07526	2.3
141.06978	2.6
142.07758	3.2
143.08517	20.6
144.09270	2.2
145.06471	2.7
145.10110	34.0
147.07997	7.9
147.11662	22.3
149.09534	5.5
149.13226	4.7
151.07491	1.7
155.08542	7.6
156.09320	6.2
157.10103	27.8
158.10786	2.6
159.08014	4.1
159.11681	23.8
161.09592	10.5
161.13229	21.9
163.03899	2.4
163.07568	2.0
163.11165	3.6
163.14784	4.4
165.08954	1.8
168.09293	2.7
169.10106	8.4
170.10846	5.2
171.07913	2.5
171.11655	20.2
173.09581	4.3
173.13240	26.2
175.11174	6.8
175.14801	21.0
177.09122	3.2
177.12643	3.3
177.16347	2.7
179.08461	2.6
179.10602	2.4
179.14224	1.9
182.10904	2.1
183.11670	10.8
185.09637	2.4
185.13216	47.5
187.11116	3.6
187.14763	20.9
189.12656	14.6
189.16365	3.9
191.10629	2.2
191.14270	5.0
193.12210	4.6
195.11685	5.7
196.12386	1.7
197.13266	10.0
199.11243	2.0
199.14798	26.6
201.12675	7.7
201.16347	21.3
203.14293	36.2
205.12166	2.4
207.11769	2.8
207.13721	3.9
209.13274	4.2
211.14757	6.6
213.12747	2.4
213.16359	10.8
215.14188	6.2
215.17938	3.9
217.12199	3.2
217.15698	2.6
219.13768	8.7
221.13301	3.2
221.15372	4.6
223.14784	3.6
225.16342	6.3
227.14441	3.0
227.17850	9.8
229.15816	2.1
229.19327	2.8
231.13719	2.2
233.15295	5.6
235.14973	1.7
239.17891	3.9
243.13652	1.7
243.17499	2.5
245.15373	13.5
247.16890	5.3
249.14738	2.8
251.17966	5.6
253.19482	8.6
259.16962	2.8
265.14410	5.2
267.15869	4.5
267.20975	3.4
273.18411	6.7
285.18500	2.1
299.20044	3.5
319.24243	1.8
323.19983	2.0
367.01566	1.7
371.27258	2.1
383.27380	2.1
389.28323	6.8
391.29761	2.0
401.28244	11.0
417.27859	3.7
419.24261	1.8
419.29395	25.1
421.30899	3.5
429.27292	1.6
435.28900	11.9
437.30508	25.1
439.32162	2.7
447.29019	11.1
455.31519	100.0
456.31586	4.8
457.33258	2.2
459.27032	2.0
465.29974	27.2
473.32214	5.7
483.30844	15.0
501.32202	48.2
508.27530	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3201
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
55.05507	6.0
57.07066	2.0
59.04997	1.4
67.05496	9.1
69.03410	1.9
69.07056	8.1
79.05489	5.4
81.07042	17.8
83.04945	1.3
83.08607	4.0
85.06528	1.3
87.04449	2.3
91.05474	8.2
93.07034	17.3
95.04951	2.6
95.08591	27.4
97.06534	1.3
97.10130	1.8
105.07014	22.3
107.08575	26.8
109.06509	4.2
109.10137	17.4
109.10825	1.5
111.08060	45.7
117.06998	3.8
119.08559	46.5
121.06507	2.5
121.10128	34.8
121.10999	1.9
123.08073	5.1
123.11703	5.7
125.09599	2.2
127.07566	1.3
129.06984	3.3
131.08543	14.1
133.06540	1.1
133.10112	25.9
135.08052	4.0
135.11656	11.9
137.09581	2.3
137.13286	2.7
139.07503	1.1
142.07765	1.1
143.08536	7.2
144.09259	1.3
145.10092	31.8
147.08022	1.7
147.11655	13.7
149.09573	2.8
149.13275	7.6
151.07529	1.2
151.11157	1.0
153.09119	1.2
155.07109	1.4
155.08488	1.5
155.10727	1.1
157.10115	6.6
158.10890	1.9
159.08012	1.1
159.11655	15.8
161.09624	2.6
161.13246	15.4
163.07565	1.1
163.11130	2.1
163.14803	6.3
165.09047	1.6
165.12697	1.1
167.10641	0.9
169.10097	2.7
170.10867	1.0
171.11696	7.3
172.12367	1.2
173.09663	1.1
173.13245	11.0
175.11153	1.5
175.14803	13.4
177.12775	3.3
177.16367	11.9
179.10712	1.0
179.14275	4.5
183.11705	2.7
184.07281	1.6
185.13246	5.8
187.14790	100.0
188.15218	1.7
189.12723	3.9
189.16338	22.2
191.14264	1.6
191.17935	3.6
193.12219	1.6
193.15820	4.1
195.11754	1.0
195.13748	1.3
197.13272	3.7
199.14804	5.8
201.12787	2.0
201.14543	1.4
201.16360	20.0
203.14313	3.2
203.17944	5.9
205.15755	1.1
207.13759	2.9
209.13263	1.6
211.14821	4.0
213.16344	10.6
215.17934	6.0
217.19496	1.5
221.15340	8.5
223.14841	1.2
225.16356	3.6
227.17960	3.8
229.15916	1.8
229.19431	2.3
235.16872	7.7
237.16483	1.3
239.17935	3.7
241.19466	2.4
243.17441	1.4
245.15282	1.5
247.16933	6.5
249.14618	2.0
253.19609	2.9
255.21011	1.3
261.18427	2.5
263.16245	1.9
267.21085	2.7
271.16824	1.3
275.20148	0.9
279.21072	1.1
281.22614	1.9
289.50302	0.9
293.22556	1.3
309.25629	1.5
339.23065	0.9
349.28918	3.3
367.30106	3.3
369.27817	1.4
373.28891	1.4
375.30426	1.6
377.28296	3.7
391.30008	5.3
395.29498	12.8
409.30948	54.5
410.31070	1.6
411.32562	12.2
413.30450	27.6
419.29346	19.3
420.29361	1.0
437.30344	20.5
439.28149	1.2
441.29767	2.6
455.31088	18.3
465.29654	4.8
466.30908	1.0
483.31259	3.4
501.31625	18.3
502.32510	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.16
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05481	0.2
58.31372	0.2
65.03933	0.6
69.03428	1.2
71.61490	0.2
71.61859	0.2
76.10139	0.2
78.30016	0.2
81.03405	0.2
83.04972	0.3
84.08635	0.2
85.02902	1.4
91.05480	6.7
95.04976	0.2
97.02887	0.8
97.06496	0.2
109.02866	0.4
111.04422	0.3
112.80000	0.2
119.04939	17.0
127.03914	1.0
135.04402	0.3
136.07567	0.3
137.05969	4.4
138.06306	2.0
139.03911	0.3
145.02840	0.2
145.04948	0.3
147.04404	100.0
148.04729	0.6
152.66792	0.2
159.10240	0.3
159.63631	0.2
163.03891	0.7
164.07039	0.3
165.05475	0.8
177.05475	0.5
186.84035	0.2
188.06941	0.3
267.11142	0.3
274.11603	0.2
291.08670	0.9
303.13275	1.1
309.09714	1.8
312.24130	0.2
321.09814	0.3
321.14487	0.5
339.11493	0.4
339.15424	0.4
347.35339	0.2
501.15555	0.4
503.88174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16119	2.0
53.03932	7.8
55.01853	4.2
55.05503	57.9
57.03431	5.0
57.07063	7.3
57.28097	2.2
62.49800	2.0
64.76712	1.8
65.03931	2.2
67.05493	32.4
69.03410	29.7
69.07056	45.2
69.36290	17.1
69.36710	6.5
71.04987	10.7
73.02908	8.0
79.05476	19.3
81.03400	28.1
81.07045	84.5
83.04958	16.3
83.08617	8.8
85.02896	18.6
85.06541	11.2
87.04424	2.0
91.05482	26.6
93.07030	45.3
94.07408	3.3
95.04944	20.3
95.08593	75.5
96.08919	3.0
97.02874	16.0
97.06519	14.4
97.10152	100.0
99.04422	6.6
99.08056	4.5
100.23092	2.1
101.06039	2.6
105.07008	46.2
107.04927	4.4
107.08574	46.3
109.02866	23.2
109.06523	13.3
109.10132	40.9
111.04411	11.1
111.08046	13.3
111.11696	7.7
115.04046	2.2
117.06996	7.6
119.04883	3.2
119.08562	36.5
120.08884	3.0
121.02831	17.6
121.06489	10.0
121.10120	38.9
123.04411	4.4
123.08066	7.0
123.11689	32.3
125.05991	3.5
125.09605	28.3
127.03886	20.6
127.07589	2.4
127.11189	3.6
129.06984	3.6
131.08524	21.2
133.06551	4.4
133.10114	29.0
135.08037	11.7
135.11665	19.1
137.05968	3.8
137.09595	9.8
137.13246	5.2
139.03880	65.3
139.07433	2.7
139.11156	16.1
142.07765	3.4
143.08556	7.9
143.10646	30.2
145.05003	5.2
145.06389	2.7
145.10085	22.9
147.04408	4.2
147.08031	5.5
147.11644	25.4
149.09587	8.0
149.13248	10.7
151.07497	5.2
151.11191	9.5
153.12752	5.1
155.08519	4.8
156.09253	2.6
157.04842	2.6
157.10101	12.4
157.12248	6.6
159.08035	2.9
159.11656	21.9
161.09613	7.6
161.13231	15.7
163.03879	9.9
163.07497	3.6
163.11157	10.1
163.14803	3.1
165.09073	5.7
165.12735	12.2
167.10648	3.1
167.14301	2.7
169.10118	5.7
171.11668	9.4
173.05927	4.3
173.09615	6.8
173.13248	28.0
175.11102	3.3
175.14818	8.3
177.05469	6.6
177.12709	6.9
179.10695	6.1
181.12225	3.0
185.13223	8.9
187.07442	4.2
187.11194	4.9
187.14810	9.6
189.11220	9.5
189.12643	5.4
189.16400	4.9
191.14293	4.1
193.15883	2.4
197.13167	3.8
199.14792	6.0
201.09039	3.0
201.12665	2.6
201.16402	5.3
203.14299	4.8
205.12228	2.8
205.15990	3.5
207.13753	3.3
211.14810	5.0
213.12880	2.9
215.14311	3.4
217.15933	5.4
221.08018	3.9
229.15805	3.4
233.15323	3.2
247.16840	3.8
275.23877	3.8
285.22064	7.7
297.13303	2.5
303.23163	28.7
303.26242	4.0
315.14401	6.6
321.24298	24.6
345.24033	2.6
387.25360	2.8
405.26483	3.4
409.23404	2.8
411.24908	5.0
429.25983	12.1
430.26285	2.8
447.27249	37.2
465.28366	34.4
483.29678	22.1
501.32510	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	500.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.4
57.03423	3.5
65.41340	1.8
67.05491	5.2
69.03404	7.1
69.07047	7.0
70.75425	7.2
79.05492	3.1
81.03410	3.4
81.07030	11.4
83.08611	2.2
85.02885	8.9
91.05454	9.6
93.07018	9.8
95.04928	4.4
95.08588	18.2
97.02870	7.7
97.06485	3.5
98.79002	2.2
99.08070	2.5
105.03365	3.4
105.06989	14.9
107.08596	10.3
109.02852	2.0
109.06476	5.1
109.10116	9.2
111.08076	5.2
115.05372	2.1
117.06941	3.3
119.08578	16.6
121.06525	2.4
121.10133	25.3
123.04375	6.0
123.08077	2.4
125.05988	4.4
127.03857	3.0
129.07014	3.5
131.08536	14.3
133.10092	15.9
135.08006	4.5
135.11691	3.3
137.05954	6.2
137.09605	3.5
138.05446	8.2
142.07761	3.1
143.08528	7.5
144.09299	2.3
145.02831	4.1
145.10107	32.6
146.10867	5.1
147.04398	5.5
147.08020	5.9
147.11667	31.3
148.12445	6.1
149.09569	3.7
149.13158	2.9
151.07565	2.6
155.08531	9.3
156.06557	4.5
156.09283	5.9
157.10138	13.4
159.11653	9.4
159.13768	3.1
161.05858	2.6
161.09598	4.7
161.13310	2.7
162.05453	4.6
163.11073	2.8
165.09074	3.7
168.09297	3.2
169.10081	7.2
170.10905	5.6
171.08044	2.7
171.11627	12.4
172.12419	4.1
173.09584	7.5
173.13246	24.4
175.11150	4.6
175.14769	4.4
177.05467	10.5
177.09120	2.3
183.11641	16.7
184.12465	7.1
185.09628	4.1
185.13246	6.8
186.13982	3.3
187.11211	2.6
187.14789	12.8
188.15498	5.9
189.09023	5.2
189.12791	2.4
191.10582	10.7
191.14281	3.9
195.08177	2.6
196.08835	2.5
196.12355	3.3
197.13258	11.7
199.10957	2.5
199.14821	10.3
201.09045	16.4
201.12741	10.3
203.10654	6.2
205.15839	5.6
206.16664	6.4
209.13225	4.3
211.11183	10.5
211.14807	10.8
212.12163	2.2
215.10629	7.1
217.12196	7.2
219.13751	3.2
224.11911	2.3
225.12685	6.4
225.16194	3.1
227.14258	18.2
229.12221	25.8
237.12813	2.3
239.14273	3.0
239.17876	14.7
243.13844	6.3
245.15338	67.4
257.15369	4.5
257.18985	5.9
259.09637	6.2
262.95026	2.3
267.17459	12.6
285.18427	100.0
303.19495	50.1
482.83566	2.4
501.19913	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01853	1.7
55.05496	5.9
56.05041	1.5
57.03428	2.3
57.07075	2.3
67.05496	6.9
69.03417	8.5
69.07050	8.0
70.06575	2.4
70.68655	6.0
77.03949	1.9
79.05485	4.4
79.49952	1.7
81.03403	4.6
81.07057	11.5
83.04967	2.9
83.08639	1.8
85.02895	10.8
86.09694	3.7
91.05474	8.4
93.07036	12.4
95.04942	1.7
95.08601	18.8
97.02876	10.1
97.06541	2.9
97.10139	3.4
97.65724	1.5
99.04466	1.9
99.08112	2.2
104.10760	2.2
105.01715	1.8
105.03379	3.2
105.07021	17.4
107.08588	15.5
109.02874	3.4
109.06496	3.8
109.10147	10.4
111.08062	2.9
115.05446	1.6
117.03358	2.0
117.06984	3.9
119.08566	23.1
121.02807	1.9
121.04222	1.6
121.06490	3.9
121.10119	26.1
123.04420	5.9
123.08012	3.7
123.11704	3.6
125.05984	2.7
127.03886	3.9
128.06241	3.3
129.07028	2.5
130.07787	3.8
131.08534	13.6
132.09274	1.8
133.10103	18.4
135.08040	3.3
135.11714	3.1
135.80615	1.6
137.05962	6.7
137.09587	5.9
138.05505	11.4
141.06952	2.4
143.08527	6.6
145.02826	9.7
145.10097	28.6
146.10875	3.1
147.04379	5.5
147.08029	4.2
147.11671	31.1
148.12424	4.7
149.09583	3.1
151.07498	2.3
155.08536	9.2
156.06516	8.9
156.09337	5.4
157.10124	10.9
158.10832	2.0
159.08054	4.6
159.11678	12.5
161.09590	3.3
162.05489	13.0
163.03928	4.3
163.11205	2.7
163.14767	2.8
165.09065	3.9
167.08548	3.8
168.09361	4.5
169.10115	7.4
170.10957	5.0
171.08034	4.2
171.11653	15.4
173.09601	9.1
173.13237	23.3
175.11195	5.0
175.14786	4.0
177.05429	17.6
177.09103	2.1
181.10107	3.3
183.11664	13.9
184.07333	2.0
184.12527	4.6
185.09581	4.0
185.13277	8.8
186.10338	2.1
186.13963	3.3
187.07521	4.6
187.11182	4.2
187.14796	12.7
188.15582	5.3
189.09094	7.5
189.12726	2.8
191.10684	12.6
191.14317	3.1
195.11624	2.1
196.08783	2.9
196.12442	2.6
197.09579	2.6
197.13234	9.0
199.14844	11.7
201.09048	18.2
201.12729	9.6
203.10654	5.4
205.15799	4.5
206.16661	6.3
207.11754	2.2
209.13316	6.4
211.11205	9.2
211.14825	12.8
212.11926	3.1
215.07109	3.2
215.10725	5.5
217.12260	4.1
225.12700	6.5
225.16602	1.6
227.14253	21.3
229.12196	26.5
235.07054	1.7
239.14368	4.7
239.17943	11.1
241.19409	2.7
243.13771	7.8
243.17372	2.7
245.15338	60.4
257.15381	7.6
257.18958	6.0
259.09686	5.0
267.17505	15.1
285.18448	100.0
286.18668	2.6
303.19498	50.6
303.22827	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	500.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70404	0.6
55.01874	0.6
55.05490	0.9
56.05030	1.1
56.40922	0.5
57.03430	0.8
57.17199	0.5
58.06597	1.2
60.08154	15.0
61.50278	0.5
67.05499	2.1
69.03416	1.2
71.04974	1.0
71.07354	4.9
71.62413	0.8
71.62801	0.7
79.05488	1.4
80.24815	0.5
80.63860	0.6
81.03409	3.2
81.07036	3.4
83.08603	0.9
85.02879	1.8
85.14318	0.6
86.09691	49.8
91.05474	2.1
93.07024	1.7
95.04952	1.7
95.08573	1.7
97.02853	0.8
97.06527	1.0
98.98452	2.7
99.04427	0.7
104.10727	100.0
105.06979	1.3
105.10999	0.9
106.06554	1.0
107.08576	1.1
108.08067	0.6
109.02873	1.1
109.10138	0.7
111.08022	0.6
117.03372	0.9
119.04902	0.7
119.08570	1.5
121.02891	1.3
121.06511	0.9
121.10141	1.7
124.07555	0.6
124.99063	1.3
124.99985	26.4
127.03919	0.7
131.08557	0.9
133.10107	1.0
137.09581	0.9
145.02844	1.9
145.04922	0.8
147.04379	0.8
147.11633	0.7
149.09688	0.6
152.07072	1.1
162.07585	0.6
163.01555	0.9
163.03889	1.3
165.09065	1.2
170.08040	0.7
177.05441	2.9
184.07312	91.8
197.06389	0.7
267.15787	1.7
315.88962	0.6
331.01755	0.6
334.18347	0.7
432.21426	10.0
439.29831	0.7
450.22449	73.7
451.22559	1.2
482.23810	1.8
500.24948	0.9
500.34824	1.0
509.72437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.1
53.57127	0.1
55.74846	0.1
61.02910	0.2
69.03412	0.3
70.18416	0.1
70.67964	0.3
70.68365	0.3
76.50101	0.1
85.02877	1.0
90.95887	0.1
91.05475	0.2
94.04156	1.0
95.04967	0.2
97.02858	0.2
100.72700	0.2
119.04954	0.1
121.06474	0.4
122.03625	2.8
123.08028	0.2
127.03841	0.2
135.04428	0.2
137.05949	100.0
138.06293	0.8
145.04953	0.3
147.04405	0.5
149.05954	0.9
151.07576	0.3
153.06975	0.5
163.07487	0.3
168.68106	0.1
178.29829	0.1
179.07001	1.6
180.08675	0.2
181.06418	1.0
198.06798	0.2
209.05939	0.4
213.09015	0.9
225.09152	0.3
241.08577	0.8
253.08771	0.8
273.11136	3.6
273.13898	0.3
285.11151	1.9
303.12137	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01857	1.1
55.05499	4.0
57.03409	1.6
65.03925	0.8
67.05161	1.6
67.05493	16.6
68.41470	0.7
69.03426	7.0
69.07046	3.0
69.48970	1.7
69.49377	6.7
71.04985	5.5
72.08122	0.8
79.05466	3.7
80.05821	0.9
81.03405	18.0
81.07039	13.5
82.07370	1.2
83.04955	3.3
83.08598	0.9
84.05325	0.7
85.02894	5.6
85.06505	1.6
86.09698	0.8
86.81615	0.7
91.05455	4.8
93.07028	8.7
95.04937	5.9
95.08610	8.9
97.02874	5.5
97.06512	3.3
97.10152	2.7
99.04458	4.5
99.08073	1.3
105.07003	4.1
107.08539	6.2
109.02863	18.4
109.06505	3.5
109.10138	41.5
110.06029	1.1
110.10497	1.7
111.04428	2.2
111.08055	2.6
111.11684	1.3
114.09145	1.0
119.04935	2.2
119.08584	6.4
121.02847	30.9
121.06475	1.5
121.10143	4.2
123.04398	1.6
123.08077	1.3
123.11717	1.4
125.05977	2.7
125.09609	1.7
127.03905	9.4
129.06891	0.9
130.08656	4.1
131.08498	0.9
132.10187	2.2
133.10112	2.2
135.08040	3.8
135.11685	1.3
136.11987	1.0
137.05966	2.5
137.09595	100.0
138.05498	1.4
138.09023	1.3
138.09943	2.5
139.03879	6.5
139.11172	1.7
145.02849	3.7
145.10042	1.4
146.10472	1.1
147.04393	12.1
147.08006	1.5
147.11661	3.3
149.09644	1.0
151.11192	0.9
155.10637	8.5
156.10173	6.1
157.10152	1.2
157.12216	0.9
159.11650	1.4
163.03876	0.9
163.07520	1.5
165.09090	86.6
165.12732	6.0
166.09398	2.3
177.05449	6.4
183.10124	7.2
186.56131	0.8
201.11188	11.2
257.01654	0.8
259.09662	1.1
263.12790	1.1
265.07065	2.8
272.09921	0.9
283.08060	9.0
291.12219	5.8
295.59592	0.8
309.13269	46.9
310.13507	1.9
320.22888	1.4
327.14337	15.8
338.24045	0.9
345.15399	1.6
427.84344	0.9
464.26785	1.2
482.28348	1.8
500.22314	1.0
500.30035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01863	2.8
55.05496	6.5
57.03412	4.9
57.54900	1.4
61.02915	2.8
64.99005	1.3
67.05489	17.6
69.03414	9.8
69.07058	7.9
70.36279	5.8
71.04969	3.1
71.80692	1.4
73.02921	2.0
79.05486	13.4
81.03394	6.4
81.06569	2.2
81.07047	36.7
83.04956	5.6
83.08614	3.6
85.02893	49.5
85.06505	1.7
87.04464	1.5
91.03923	2.0
91.05458	18.2
93.07031	21.3
95.04935	5.1
95.08591	52.7
97.02880	12.8
97.06506	7.2
97.10143	3.2
99.04434	3.3
105.07021	29.3
107.08572	28.1
109.02869	5.8
109.06496	5.0
109.10135	19.8
111.08065	3.9
112.14194	1.6
117.07011	5.4
119.08559	26.8
119.09409	0.9
119.69142	1.5
120.08900	2.1
121.06547	2.8
121.09276	2.6
121.10110	21.9
123.04406	2.7
123.08060	4.3
123.11680	6.1
125.09623	3.0
127.03915	11.7
128.06250	2.3
129.06950	3.9
131.08554	11.1
133.10112	38.1
133.11073	3.1
135.08023	3.2
135.11679	22.3
137.09578	2.8
137.13188	1.8
139.03868	4.6
143.08537	5.0
143.10721	1.6
145.04950	20.1
145.10109	23.1
147.08035	2.4
147.11664	23.6
149.09579	4.2
149.13245	13.2
151.09944	2.3
151.11160	44.9
151.12337	3.1
153.01790	4.5
155.08478	2.2
157.10143	9.8
159.08031	2.0
159.11650	13.6
160.99889	1.4
161.09598	3.0
161.13229	16.2
163.05983	7.3
163.11218	2.6
163.14784	7.7
165.12711	3.3
169.10086	1.7
171.11691	5.2
173.09627	3.8
173.13248	13.2
175.11165	4.6
175.14798	14.2
177.12730	1.7
183.11676	3.5
185.13266	8.6
187.07530	1.5
187.11244	2.2
187.14807	16.9
189.12695	2.3
189.16364	16.8
191.10571	1.8
191.14291	3.0
193.12212	2.7
195.11646	1.8
197.13214	2.4
199.14758	8.6
201.16336	11.6
203.17953	5.0
205.15852	2.2
209.13309	1.6
213.16322	5.4
215.17917	10.9
217.15840	8.8
219.10133	3.0
219.17480	2.0
227.17976	5.2
233.08012	2.5
233.18956	2.2
237.16229	1.4
241.19533	2.3
251.20207	1.7
255.21004	3.2
257.22592	9.2
283.24158	72.7
284.24582	1.9
301.25214	100.0
302.25348	1.9
319.26352	4.1
389.28247	2.2
435.29108	2.8
453.30267	6.7
463.27448	2.2
481.28918	6.5
499.31070	14.2
506.39117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3048
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
53.03936	1.6
55.01852	1.3
55.05505	6.7
57.07043	1.8
63.31374	1.0
67.05499	8.5
69.03423	4.7
69.07059	9.4
69.80547	4.5
69.80958	1.9
71.04985	2.9
73.78745	1.0
79.05492	11.0
81.03407	5.0
81.07047	17.5
83.01305	1.1
83.04980	5.6
83.08598	1.9
85.02917	3.1
85.06525	1.2
91.05475	11.5
93.07027	15.3
95.04961	4.6
95.08586	15.2
97.02851	1.9
97.06527	5.7
97.10165	2.6
99.04445	3.6
99.08062	1.9
105.06338	0.8
105.07018	24.7
107.04971	1.5
107.08578	22.2
109.02872	2.1
109.06505	5.5
109.10121	10.3
111.04429	1.3
111.08087	4.6
117.07015	5.8
119.08553	34.5
119.09330	2.2
121.06519	5.5
121.10115	14.2
123.04386	2.0
123.08064	5.4
123.11722	3.6
125.06007	1.8
125.09622	2.6
127.03889	1.8
128.06204	1.3
129.06973	5.5
130.07777	1.6
131.08551	19.1
133.06544	1.7
133.10118	15.7
133.11061	1.4
135.07985	6.5
135.11711	6.7
137.05968	3.2
137.09628	3.0
139.03891	2.2
139.07489	1.5
141.06955	2.1
142.07780	3.4
143.08514	13.4
145.06473	1.9
145.10098	25.4
147.04419	2.6
147.08034	3.8
147.11656	14.9
149.09598	5.1
149.13219	4.8
151.07553	4.9
151.11147	2.1
153.05498	1.8
153.09038	1.4
155.08517	6.0
156.09328	6.1
157.10110	15.5
158.10847	1.6
159.08058	4.3
159.11671	17.9
161.09634	5.3
161.13237	16.3
163.04005	1.3
163.07472	1.4
163.11247	3.0
163.14841	3.1
165.09079	3.9
165.12682	2.0
167.07130	1.8
167.08589	2.7
168.09329	1.5
169.10068	7.8
170.10847	2.4
171.08105	1.8
171.11656	15.9
173.09659	3.2
173.13248	19.2
175.07535	2.2
175.11203	3.4
175.14787	11.5
177.09192	3.5
177.12773	2.1
177.16457	2.0
179.10773	1.8
179.14211	1.6
181.10089	1.5
183.11705	7.4
184.12303	1.3
185.09557	2.2
185.13210	19.5
187.07578	1.5
187.11285	3.4
187.14780	17.0
189.12761	3.9
189.16438	2.8
191.10643	2.2
191.14330	1.7
193.12138	1.9
194.11061	1.5
195.11694	5.0
197.09589	1.7
197.13246	8.7
199.11195	3.2
199.14784	21.8
199.16533	1.5
201.09105	2.5
201.12767	3.7
201.16376	9.9
203.14380	3.1
205.12282	2.8
207.11838	2.6
207.13840	2.5
209.13301	2.7
211.14847	4.5
213.12891	2.3
213.16306	9.6
215.14398	2.1
215.17926	2.1
217.15868	2.8
219.10225	1.3
219.13899	2.3
221.13359	2.2
221.15390	1.8
223.11279	2.2
223.14955	2.5
225.16249	6.0
227.14392	1.7
227.17973	5.0
229.19650	1.4
231.13661	2.5
233.08124	1.4
233.13213	1.6
233.15396	3.1
235.14993	1.9
237.16426	2.1
239.18007	1.9
241.15906	1.8
241.19493	1.4
245.15356	11.2
247.17020	2.6
251.18025	2.8
253.19495	2.3
255.20941	1.3
259.16934	2.3
263.18030	1.7
265.14459	1.8
267.21167	1.7
279.15851	2.7
291.20850	1.5
301.21780	2.1
306.23929	1.5
307.24210	1.5
315.21017	1.7
321.25558	1.2
337.21652	1.3
352.24057	1.3
357.20670	2.5
387.26791	2.1
389.28394	2.5
397.23843	2.2
399.26822	3.3
405.28040	3.0
407.29517	2.4
417.27747	7.9
435.28909	21.5
453.29926	100.0
454.30240	2.5
455.31711	3.1
457.25800	1.5
463.28403	5.5
471.30878	7.0
481.29584	9.0
499.30554	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01847	0.9
55.05515	4.4
55.05903	0.8
57.07050	1.2
59.20725	0.8
63.80526	0.8
67.05499	6.4
69.03400	3.1
69.07060	7.7
71.04967	1.0
71.62517	1.3
79.05485	7.1
81.07044	11.6
83.04974	3.5
83.08614	2.0
84.05247	0.9
85.02887	2.0
85.06509	1.1
91.05465	10.1
93.07028	11.5
95.04954	2.7
95.08026	1.6
95.08598	16.6
97.06538	1.8
99.04455	1.1
103.05461	0.9
105.07022	21.5
107.08585	17.5
109.06504	3.7
109.10137	8.8
111.04399	1.5
111.08080	2.1
115.05415	1.2
117.07009	4.0
119.04889	1.1
119.08572	30.2
121.06475	3.6
121.10139	9.6
123.08083	4.0
123.11707	2.2
125.05999	1.1
128.06206	2.1
129.06985	4.7
130.07768	1.4
131.08563	16.0
133.06522	1.4
133.10130	11.9
135.08044	5.2
135.11656	4.4
137.05945	1.9
137.09624	1.1
139.03888	1.5
139.07581	1.1
141.07043	2.0
142.07774	2.1
143.08530	13.9
144.09363	2.0
145.10106	24.6
147.08035	2.1
147.11670	12.2
149.05991	1.4
149.09648	2.4
149.13258	3.9
151.07558	3.7
153.05533	1.0
153.09091	0.8
155.08536	3.5
156.09358	4.5
157.10124	18.3
158.10927	2.2
159.08035	3.3
159.11658	14.6
160.08870	0.9
161.09583	3.7
161.13235	13.2
163.07538	3.2
163.11139	3.7
163.14813	3.3
165.09084	1.7
165.12737	1.1
167.06967	1.3
168.09259	0.9
169.10126	5.8
170.10858	2.0
171.11685	15.0
173.09610	3.3
173.13229	16.7
175.11206	3.2
175.14815	10.1
177.09090	2.9
177.12758	2.5
177.16376	2.0
179.10594	0.9
179.14323	1.4
181.10126	3.0
182.10863	1.9
183.06468	5.3
183.11662	6.8
185.09645	1.6
185.13243	17.5
187.07446	1.5
187.11160	2.7
187.14801	22.8
189.08958	1.6
189.12761	5.4
189.16338	5.4
191.10657	2.5
191.14200	1.7
191.18033	1.0
193.10147	1.5
193.12090	1.3
195.11699	3.2
197.13264	7.1
198.14134	1.0
199.11186	1.5
199.14796	19.5
201.12721	2.4
201.16386	9.3
203.10661	1.1
203.14278	2.9
203.17970	1.1
205.12271	1.7
207.13826	1.1
209.08081	1.6
209.13234	2.4
211.14809	4.3
213.12694	1.9
213.16360	11.3
215.14296	1.1
215.17944	3.6
217.12161	2.0
217.15826	1.2
219.13745	2.1
221.13329	2.2
221.15390	2.0
223.14879	2.1
225.16374	2.6
227.17867	5.7
229.19453	1.1
231.13800	1.7
233.15361	1.9
235.14902	1.2
235.16957	1.4
237.11299	2.4
237.16475	1.6
239.17941	2.5
241.19478	2.0
243.13708	1.9
245.15419	8.4
247.16995	1.3
249.16382	1.7
251.17976	1.8
253.14084	1.0
253.19492	2.5
259.17087	2.0
261.18637	1.3
261.70255	0.9
263.12943	1.0
263.17838	1.1
265.14383	2.7
265.19366	1.7
271.16974	1.4
273.18555	2.1
277.19653	1.0
279.16016	1.4
291.21014	1.3
301.19113	0.9
331.19244	1.5
352.23822	1.8
357.20523	3.0
361.28937	1.0
383.22397	1.6
387.26657	2.7
389.28299	1.7
391.22369	1.0
397.23755	2.0
399.26639	2.3
405.28036	2.0
407.29398	2.3
413.23151	1.4
417.27960	6.0
423.28983	1.0
433.27243	1.2
435.28918	17.2
451.28326	1.8
453.29947	100.0
454.30548	1.7
455.31390	2.1
457.26129	1.7
463.28256	5.0
471.31512	4.6
481.29770	7.4
499.30475	60.2
500.30594	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3043
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
50.40452	1.0
53.03932	1.0
53.26965	0.9
55.05494	3.4
63.03997	0.9
65.45310	0.8
67.05481	3.9
69.07049	4.3
71.04963	0.9
71.33189	2.3
79.05479	4.2
81.07037	10.3
83.04948	1.0
83.08616	2.0
85.06513	0.9
91.05466	7.5
92.40057	1.0
93.07021	10.7
95.04965	1.8
95.08585	14.4
97.06527	1.1
99.04436	3.0
105.07002	12.7
107.08569	12.1
109.06479	2.8
109.10116	5.1
111.08059	1.1
115.05482	1.3
117.06988	2.2
119.08556	37.4
121.06473	1.6
121.10126	7.0
123.08025	1.7
125.09564	1.1
129.06966	3.0
131.08553	15.4
133.10107	10.8
135.08012	2.1
135.11658	4.0
137.09561	1.3
137.13170	0.9
141.06926	1.3
142.07816	1.1
143.08563	6.6
145.06400	1.2
145.10089	35.6
147.07936	2.1
147.11673	8.4
149.09589	1.0
149.13214	4.6
155.08562	2.1
156.09340	1.6
157.10103	8.7
158.10831	1.6
158.93254	1.2
159.08034	2.3
159.11653	12.2
161.09566	3.3
161.13237	18.6
163.11188	1.2
163.14775	12.8
167.07016	4.1
169.10126	3.7
171.11630	6.7
172.12474	1.4
173.09613	3.2
173.13239	9.2
175.11198	4.8
175.14780	8.7
177.12816	1.6
177.16408	3.5
179.08569	1.0
179.14241	1.1
181.08678	1.4
181.10092	2.2
183.11607	3.1
184.12500	1.3
185.13243	7.0
186.13893	1.1
187.11209	2.8
187.14783	100.0
188.15074	2.9
189.12755	3.0
189.16357	14.9
193.08450	1.4
195.11662	1.5
197.13179	2.4
199.14792	10.2
201.12740	2.2
201.16341	8.0
203.14209	3.4
207.10074	5.1
207.13774	2.2
211.14638	1.9
213.16296	4.4
215.14273	1.6
215.17932	2.0
217.12384	1.3
221.11722	2.4
221.15318	1.3
225.16240	1.4
227.17879	1.1
231.13751	2.1
233.11714	5.0
233.15324	1.6
235.13222	9.0
237.16394	1.3
239.17856	1.2
241.19617	1.3
247.13254	10.8
249.14709	1.4
259.13135	4.6
261.14801	18.3
273.14868	3.8
275.16528	1.6
287.16385	2.1
341.20740	1.1
389.28445	1.7
407.29279	1.4
435.28867	68.8
436.28983	1.7
437.30527	6.5
453.29932	11.5
463.28073	4.5
481.29352	23.9
482.29715	1.3
499.29871	3.4
499.35129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3047
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
53.03932	1.3
54.51947	1.1
55.05494	5.2
57.03429	1.7
65.03371	1.0
67.05498	6.0
69.07066	6.5
71.04987	2.6
71.32728	2.4
72.26274	1.1
79.05480	6.2
81.07044	14.4
83.04976	3.1
83.08611	2.8
84.40632	1.3
85.02920	1.6
91.05464	9.3
93.07027	15.3
95.04939	4.0
95.08595	18.8
97.06509	2.1
105.07016	23.1
107.08589	17.1
109.06490	6.0
109.10153	9.8
111.04403	1.4
111.08062	2.3
117.07018	6.6
119.08565	31.4
121.06487	2.7
121.10114	9.0
123.08052	4.7
123.11652	2.2
125.06006	1.5
125.09614	1.8
129.06999	4.0
130.07822	1.2
131.08562	19.9
133.06474	1.9
133.10110	14.4
135.08054	4.7
135.11670	5.9
137.05998	3.0
137.09579	2.4
139.03859	2.1
141.06970	1.8
142.07741	1.3
143.08543	15.5
145.06421	1.3
145.10101	24.6
147.08046	3.1
147.11674	10.8
149.09619	3.9
149.13243	4.7
151.07526	3.5
153.05447	2.4
155.08545	3.6
156.09346	5.4
157.10101	16.0
159.08069	4.2
159.11673	14.9
161.09624	4.5
161.13242	10.8
163.07536	2.1
163.11229	1.8
163.14851	5.1
165.09155	2.2
167.08609	1.2
169.10101	5.6
170.10855	2.3
171.11668	14.1
173.09691	2.4
173.13237	15.4
175.11162	3.7
175.14810	11.1
177.09099	2.3
177.16371	2.8
179.14319	1.6
181.10057	2.5
182.10956	1.7
183.06485	7.4
183.11615	6.3
185.09677	1.2
185.13223	16.8
187.11160	2.4
187.14796	24.2
189.12743	3.5
189.16336	8.0
191.10738	1.4
191.14435	1.7
191.17816	1.6
193.12239	2.6
195.11684	2.6
197.13167	5.5
199.11110	1.6
199.14815	17.4
201.12798	2.9
201.16353	11.7
203.14310	3.2
205.12234	2.0
207.11795	1.5
207.13718	2.6
209.08073	3.3
209.13271	3.0
211.14822	3.8
213.12881	2.4
213.16341	10.7
214.16948	1.4
215.14276	2.2
215.17928	5.8
217.12186	1.3
219.13824	2.2
221.15271	1.5
223.14957	2.3
225.16402	3.0
227.14424	1.4
227.17970	4.8
229.19495	1.5
231.13815	2.6
233.15341	3.1
235.16908	1.8
237.11125	2.7
239.17848	1.4
241.19504	3.6
243.13855	2.5
245.15369	8.0
247.16960	2.2
251.12787	3.0
251.17899	2.4
253.19397	2.1
259.17032	2.2
261.18475	1.3
263.12729	2.2
265.14252	2.7
267.20816	1.2
277.14340	1.2
277.19440	1.5
279.15909	3.1
305.22507	1.6
319.24103	1.7
353.24826	1.3
357.20361	1.6
371.27182	2.0
389.28284	1.3
399.26810	2.2
405.27826	2.3
407.29523	2.8
411.25085	1.4
417.27542	6.4
419.28989	1.3
433.27811	1.4
435.28876	14.5
437.30408	1.5
451.28314	2.4
453.29929	100.0
454.30643	1.8
455.31622	3.0
457.25674	1.4
457.37592	1.1
463.28369	4.4
471.31097	4.8
481.29428	9.0
499.30472	71.3
512.29736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3049
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
53.03939	6.5
55.01861	8.3
55.05493	16.9
57.07054	6.8
67.05496	33.9
69.03407	8.8
69.07047	21.3
70.06873	19.4
71.04967	5.4
72.04882	3.3
73.02927	4.0
76.73617	3.7
79.05486	31.1
81.03427	4.7
81.07047	100.0
83.04960	6.7
83.08594	15.2
85.02907	4.3
85.06552	5.6
87.75951	3.5
91.05474	44.0
93.07032	51.3
95.04942	11.7
95.08592	73.6
96.04200	3.9
97.02863	6.3
97.06512	12.8
97.10201	5.4
99.04487	4.8
105.07014	78.9
107.08570	50.0
109.06493	16.2
109.10145	38.1
111.04404	7.6
111.08067	10.9
113.02370	4.8
113.05965	4.5
117.06982	22.0
119.08562	75.9
120.96511	3.7
121.06483	15.3
121.10122	61.7
123.04409	7.1
123.08039	14.9
123.11683	30.2
125.09615	7.3
128.06219	7.6
129.06993	21.2
131.08548	65.1
132.09245	5.4
133.10114	58.0
135.08034	7.3
135.11720	25.8
137.05954	51.7
137.09601	4.7
137.13263	9.0
139.03854	8.0
141.06999	10.0
142.07796	19.1
143.08542	61.6
144.09302	7.4
145.10104	77.5
147.08003	10.0
147.11671	47.3
149.09602	6.7
149.13199	13.5
155.07048	7.7
155.08514	33.5
156.09335	7.9
157.10106	59.3
158.10654	4.4
159.07999	14.2
159.11659	63.2
161.09554	18.5
161.13251	29.2
163.03835	4.1
163.07614	3.7
163.11234	4.9
163.14752	11.4
167.08511	9.0
168.09225	5.5
169.10095	44.2
170.10741	5.0
171.08020	6.7
171.11656	54.8
173.09583	15.0
173.13231	32.3
175.11171	14.1
175.14784	16.5
177.09105	4.8
177.12666	5.5
177.16307	7.4
179.14369	4.7
180.09302	4.5
181.10086	11.6
182.10905	4.3
183.11703	28.1
184.07240	5.6
185.09592	9.1
185.13231	51.2
187.11122	15.1
187.14790	30.9
189.12752	15.4
189.16357	9.2
191.10562	3.9
193.10062	6.2
195.11652	24.3
197.13261	29.7
199.11235	8.8
199.14812	37.6
201.12720	12.3
201.16379	10.2
203.10687	7.4
203.14264	8.4
205.12274	9.2
207.11607	10.0
209.13246	14.3
211.11238	8.5
211.14824	19.3
213.12709	19.3
213.16278	12.7
215.10698	6.7
215.14244	17.7
217.12225	8.7
217.15836	5.8
219.13866	8.4
223.14764	13.3
225.12674	6.5
225.16396	9.0
227.14259	11.0
229.12181	7.0
231.13754	32.7
231.17435	5.1
233.11566	4.5
233.15306	14.4
237.16389	11.0
239.14354	5.0
243.13834	10.5
245.15352	14.6
247.17036	4.3
249.14610	4.6
251.17935	7.3
253.19591	5.0
257.15305	8.3
263.16672	3.9
269.15295	5.0
271.16980	5.6
271.47852	3.6
279.21191	5.0
283.16910	4.0
286.93695	4.1
307.20999	4.8
307.24118	25.1
309.25430	7.8
315.91504	4.3
325.25314	22.0
335.23785	8.2
339.03516	4.0
353.24692	79.3
371.25793	31.4
389.24506	6.9
399.26556	8.6
417.27832	50.6
419.29230	10.3
427.26395	7.1
435.28891	75.3
437.30527	6.7
445.27274	30.6
453.30038	23.4
463.28265	36.7
481.29483	44.7
499.30399	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.305
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
53.03939	6.9
55.05505	26.0
57.03423	13.9
58.40008	5.3
61.02907	21.1
61.13962	5.0
67.05496	57.0
69.03417	20.8
69.07055	35.2
70.85496	14.0
71.04984	5.1
73.02928	11.5
79.05487	31.7
81.03426	6.5
81.07052	80.7
83.04965	9.3
83.08642	23.1
85.02891	23.8
85.06505	6.2
86.59710	5.1
91.03927	11.1
91.05461	38.5
93.07033	65.9
95.04971	10.7
95.08601	76.0
97.02881	20.3
97.06512	11.6
99.04433	19.5
99.08068	5.3
101.02339	7.8
105.07023	68.6
105.94521	4.3
107.08589	66.3
109.06470	14.6
109.10125	37.6
111.08090	13.3
113.06049	6.3
117.07011	14.2
119.08572	100.0
121.06542	5.8
121.10144	57.9
123.08054	11.9
123.11700	9.9
125.05953	6.6
125.09687	5.7
127.03894	11.4
129.06955	11.7
131.08565	43.3
133.06442	4.8
133.10126	41.8
135.11671	21.2
137.09642	5.9
139.11174	5.8
141.89883	4.6
142.07745	5.8
143.08501	24.7
145.10100	80.4
147.08118	11.6
147.11702	46.0
149.09596	6.9
149.13205	36.0
155.08551	8.4
157.10077	32.9
158.10960	5.7
159.08037	8.2
159.11693	37.2
161.09566	7.0
161.13271	25.9
163.11200	6.2
163.14793	26.5
167.08563	5.9
169.10112	17.9
171.11671	20.1
173.09612	7.1
173.13255	32.3
175.11206	8.8
175.14816	38.9
177.12726	5.6
177.16345	15.3
179.14346	5.5
183.11674	14.1
185.13168	25.1
187.11188	9.5
187.14803	91.8
189.12726	13.1
189.16354	43.9
191.14272	6.7
195.13657	5.1
197.13260	16.8
199.11235	5.2
199.14851	21.9
201.12834	10.8
201.16330	31.3
203.14346	7.4
203.17947	17.5
205.15851	6.8
209.13348	8.6
211.11324	5.3
211.14772	8.6
213.16440	17.6
215.14328	8.7
219.13916	5.9
223.14975	8.7
235.16951	5.5
239.18030	7.3
245.22653	5.8
251.17853	5.2
261.14877	8.2
263.23499	11.1
267.17258	5.7
270.17673	10.2
295.24094	6.0
317.25409	5.9
321.25510	6.1
329.24579	6.7
337.27377	26.0
339.23315	8.7
389.27960	5.9
405.27960	5.8
407.29303	20.7
417.27795	14.1
425.30463	11.3
435.28885	75.6
453.29837	39.1
463.28500	13.6
464.31097	22.8
481.28992	38.0
499.30548	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	8.5
57.03418	2.2
57.59365	1.5
67.05505	12.2
69.03416	3.4
69.07060	9.5
69.35070	14.0
69.35480	2.3
74.08848	1.5
79.05502	11.4
81.07049	29.8
83.08598	5.0
85.02898	2.1
85.06519	1.6
91.05458	14.0
93.07034	27.3
95.04964	6.4
95.08598	54.0
97.02892	6.2
97.06539	2.3
97.10176	3.3
98.21529	3.6
103.05499	1.9
105.07014	42.2
107.04933	2.8
107.08580	39.7
107.09286	3.2
109.06499	12.2
109.10141	20.1
109.10830	2.1
111.08049	2.6
115.05402	2.1
117.07036	7.9
119.04922	1.4
119.08562	79.6
121.06485	3.3
121.10133	27.8
123.08051	5.1
123.11662	2.6
125.05927	2.0
128.06187	3.8
129.06993	4.7
130.07782	2.8
131.08553	25.4
133.06483	2.0
133.10114	32.3
135.08023	5.2
135.11670	12.7
137.09610	5.6
139.07495	2.6
141.05472	1.6
141.06958	2.6
142.07774	2.2
143.08540	20.3
144.09309	2.7
145.10101	40.2
147.08034	3.1
147.11664	26.8
149.09581	3.3
149.13235	8.9
151.07512	3.4
151.11188	2.5
153.09116	7.1
155.08556	4.2
156.09331	5.5
157.10109	12.9
158.10873	2.5
159.08043	6.9
159.11693	20.3
161.09630	4.1
161.13223	12.5
163.07527	4.1
163.11218	3.3
163.14828	13.3
165.09259	2.8
165.16331	3.0
167.10655	1.6
169.10106	7.7
171.08092	4.0
171.11655	11.8
173.09662	4.7
173.13196	15.4
175.07564	1.9
175.11145	8.3
175.14792	15.2
177.09096	2.5
177.12750	7.0
177.16350	18.9
181.10060	2.9
183.06534	4.3
183.11659	9.5
185.09608	3.1
185.13167	8.3
187.11194	5.0
187.14793	40.6
187.16403	2.6
189.12804	9.8
189.16362	82.8
191.10635	1.9
191.14316	3.7
191.17953	15.9
193.12170	3.2
193.15881	1.7
195.11757	4.8
197.08078	7.6
197.13268	4.3
199.11200	2.2
199.14821	5.1
201.09021	2.4
201.12772	4.2
201.16362	10.7
203.10655	4.9
203.14253	3.9
203.17912	7.5
205.12219	2.6
205.15971	2.3
207.11716	1.9
207.13681	1.8
207.17430	4.1
209.08098	4.4
209.13350	2.3
211.11288	2.9
211.14847	4.5
213.12837	2.0
213.16385	11.2
215.10735	1.8
215.14275	3.7
215.17926	8.3
217.12247	3.4
217.15973	2.8
217.19478	1.9
221.15454	1.7
223.09560	1.8
225.12785	2.0
225.16365	3.5
227.18015	3.7
229.12206	3.4
229.15993	1.7
231.10164	1.8
231.13890	1.7
231.17548	1.8
233.11754	2.8
233.15359	2.4
235.16890	15.2
237.11063	8.4
237.16370	2.1
241.12267	2.0
241.15617	1.7
241.19495	4.1
243.13911	2.5
247.13162	2.8
247.16972	5.7
249.11247	2.7
251.12743	27.4
261.18427	3.1
263.12634	12.0
265.14334	19.7
275.12979	3.3
277.14261	10.5
279.15961	5.8
289.14420	2.4
303.15936	1.8
319.24197	3.3
321.25809	3.7
339.19745	2.7
357.20551	11.5
367.26324	6.0
379.30045	2.4
390.16974	1.9
391.26257	1.9
405.27835	3.4
407.29504	3.6
417.28061	6.2
425.30405	9.5
433.27307	3.1
435.28949	18.0
451.28452	4.7
453.29956	100.0
454.30438	3.0
463.28134	12.3
481.29379	26.4
499.30518	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3044
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
50.63689	2.3
53.03942	2.5
55.05499	8.7
57.03412	2.5
64.53066	2.2
67.05486	17.7
69.03409	6.3
69.07043	9.5
69.60682	18.4
78.33279	1.9
78.80907	1.9
79.05482	17.5
81.07048	36.6
83.04945	3.1
83.08591	6.9
85.02873	2.5
91.05467	24.4
93.07024	36.0
95.04960	8.1
95.08592	59.4
97.02882	13.9
97.06499	3.5
105.06300	2.8
105.07006	58.6
105.07671	4.4
107.08575	55.5
109.06499	29.9
109.10139	28.0
111.04472	3.3
111.08055	4.5
115.05402	2.8
117.06971	11.3
118.97746	2.4
119.08556	89.7
121.06523	5.8
121.10129	34.8
123.08052	6.5
123.11660	5.2
128.06250	5.0
129.06979	10.8
130.07706	3.1
131.08531	32.1
133.06473	3.4
133.10104	49.3
135.08037	9.6
135.11674	17.6
137.09624	6.3
141.06947	3.7
142.07735	8.8
143.08536	22.7
144.09267	2.6
145.06438	3.3
145.10085	54.3
147.08014	5.1
147.11656	40.5
149.09601	6.1
149.13226	8.0
153.09070	8.9
155.08499	7.1
156.09312	5.8
157.10126	24.5
159.08025	7.7
159.11664	30.7
161.09564	6.3
161.13185	14.7
163.07491	5.4
163.11143	8.1
163.14774	15.9
165.09094	6.0
165.16408	2.8
167.10664	2.2
168.09258	2.6
169.10127	9.7
171.11694	16.2
171.25017	2.3
173.09573	7.7
173.13231	19.9
175.11140	10.8
175.14772	23.0
177.09108	4.9
177.12776	7.9
177.16368	16.9
180.09225	2.2
181.10071	4.0
183.11650	9.5
185.09579	3.0
185.13240	10.3
187.11140	5.3
187.14787	53.3
189.12762	14.2
189.16351	100.0
191.10585	5.5
191.14345	12.3
191.16293	3.1
191.17931	26.6
195.11606	5.7
197.13191	7.2
199.11061	3.0
199.14786	9.9
201.09041	2.8
201.12762	9.6
201.16342	19.1
203.10602	3.2
203.14240	7.9
203.17859	10.9
205.19492	2.4
207.17398	4.9
209.13347	2.9
211.14682	3.8
213.12657	4.3
213.16338	14.3
215.14377	3.1
215.17909	14.7
217.12180	5.1
217.15685	3.0
219.13774	2.9
223.14763	4.2
225.16245	5.9
227.17918	3.8
229.12244	4.4
231.13763	5.1
233.15353	5.2
235.16829	21.6
237.11133	8.8
239.17729	2.6
243.13760	4.6
243.20969	2.6
247.13141	4.0
247.16843	6.2
249.11166	6.3
251.12712	32.4
253.19418	2.9
261.14886	2.9
261.18597	4.1
263.12796	6.1
265.14221	16.2
265.19492	2.5
277.14066	3.3
279.15869	3.3
295.24231	6.9
319.24023	3.0
321.25812	5.4
341.24814	4.8
344.98868	2.2
357.20636	4.6
367.26208	8.0
379.30200	3.4
389.28503	3.8
391.26181	4.8
405.27737	4.8
407.29364	6.2
409.26981	3.6
417.27634	10.8
421.26459	2.6
425.30225	12.6
434.42831	2.7
435.28928	24.3
451.28287	13.0
453.29892	73.5
463.28232	15.8
481.29486	34.7
499.30405	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05490	0.5
57.03408	0.4
67.05485	0.5
68.69191	0.4
69.03419	1.6
70.06585	0.6
71.04989	0.8
71.61491	0.5
73.02956	0.4
73.78398	0.4
77.94141	0.4
79.05481	1.0
81.07051	1.3
83.04978	0.8
85.02888	2.1
85.06545	0.5
85.60818	0.4
87.46412	0.5
91.05460	0.8
93.07007	0.8
95.08599	0.9
97.02855	0.9
102.05553	0.6
105.07030	0.5
107.04934	0.5
109.02901	0.5
109.06502	0.6
109.10151	0.4
121.10120	0.9
123.04430	0.7
123.11688	0.7
125.09659	0.6
126.09132	6.2
126.09993	0.5
127.03922	1.2
136.06206	1.1
136.07439	0.4
137.09612	0.5
138.05490	0.8
139.03886	0.7
139.11180	0.5
147.04352	0.9
148.03897	0.5
150.05539	0.6
151.11151	0.4
162.04111	1.5
166.04985	4.4
167.07069	0.7
167.10597	0.7
168.54822	0.4
175.03687	0.9
177.05502	0.7
185.11694	0.6
194.04376	2.6
203.05307	0.9
206.06532	0.4
212.05521	1.7
228.14568	0.4
259.07910	1.3
301.11838	2.6
319.12726	3.0
329.15936	0.6
337.08829	0.6
337.13550	0.5
337.77100	0.4
347.09433	12.0
348.09595	0.4
367.09802	0.5
499.14133	100.0
500.14566	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.9
61.02953	0.7
62.61064	0.6
64.78300	0.6
69.03437	2.0
71.61436	0.8
71.61813	0.8
71.62166	0.7
77.00893	1.1
81.03418	2.0
82.99878	2.8
85.02895	4.6
94.99906	0.9
97.02912	2.5
101.00856	7.9
103.02444	2.9
105.00382	1.2
109.02898	1.4
112.17148	0.7
113.00883	1.8
115.02400	0.8
119.01900	31.1
120.02005	1.6
121.03467	2.1
127.02378	6.7
127.03883	2.3
129.00363	0.8
129.03964	0.8
131.01880	16.8
133.03476	1.7
137.02925	5.8
139.02393	1.7
142.03474	1.0
143.01874	20.3
145.03435	47.7
146.03607	0.8
147.01382	3.2
147.05023	1.3
147.23782	0.6
149.02940	3.9
149.42915	0.6
155.01863	22.4
155.03079	1.3
157.03445	19.5
159.05002	1.5
161.02937	31.6
162.03154	0.8
163.04517	9.0
167.01843	9.1
169.03455	4.5
171.01369	6.2
171.04999	3.9
173.02942	54.7
174.03136	1.8
175.00887	0.7
175.04474	6.7
177.02563	0.9
179.01860	3.3
181.03375	1.3
181.05608	0.6
183.01366	1.6
184.04498	0.8
185.02924	49.5
186.03091	2.2
187.02866	1.0
187.04475	7.2
189.02414	10.7
189.04051	0.9
189.06104	1.1
191.03943	2.5
193.01901	1.3
196.04507	1.5
197.02934	19.4
199.00792	3.4
199.02888	0.8
199.04483	4.8
201.02361	2.3
203.03978	18.0
205.05618	1.6
208.04500	1.1
209.02913	4.1
211.04494	1.6
212.04048	0.7
213.00053	0.9
215.03998	10.4
217.01904	50.2
217.05464	2.1
218.02144	1.2
221.04990	7.4
223.06610	2.0
227.01761	1.0
227.03969	10.8
229.01918	12.8
229.05516	1.0
235.02950	23.7
236.03014	0.7
239.03886	1.5
239.06184	0.8
241.01907	0.9
241.07739	0.8
245.05037	100.0
246.05304	3.7
247.02908	9.9
247.06656	3.2
253.03976	2.3
257.05014	11.7
258.04666	2.7
259.02820	1.1
259.06763	1.5
263.06110	12.4
264.06454	1.0
264.70285	0.7
265.04004	3.1
265.07700	1.0
273.04395	1.3
275.06073	10.9
277.04001	20.7
277.07138	1.1
278.04166	1.2
286.07513	1.0
291.05588	0.7
293.07190	5.2
295.05161	1.2
301.03967	9.7
302.03708	0.7
305.07126	9.1
307.08630	2.1
317.04700	2.0
317.10791	0.8
319.05066	26.8
320.05313	0.9
335.08374	5.1
337.06100	38.6
337.09601	1.3
338.06314	1.5
347.08170	1.0
351.07376	1.4
365.05093	1.2
365.09274	13.5
367.10590	1.5
379.06900	0.8
383.10321	1.0
409.09970	1.3
477.97183	0.7
481.10162	1.9
499.11237	53.5
500.11426	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.7
53.12820	0.4
55.01844	0.5
55.05500	3.1
57.03433	5.9
57.07049	1.0
58.06591	24.8
59.07372	8.5
60.08154	8.9
65.40274	0.4
67.05494	13.6
69.07055	4.5
69.68103	3.3
71.04954	0.5
73.02897	1.1
75.04467	3.2
79.05473	5.7
81.06584	0.8
81.07042	15.0
83.04942	1.7
83.08610	2.6
85.02890	2.8
85.06500	1.0
86.09623	0.5
87.04451	4.4
91.05478	3.2
93.05475	0.5
93.06472	0.6
93.07030	8.8
93.75446	0.4
95.04943	1.1
95.08593	6.3
97.06548	2.2
99.08075	0.6
102.05527	0.9
103.03893	0.5
105.05476	1.3
105.06976	1.8
107.08574	5.0
108.08784	0.6
109.06477	0.5
109.10101	2.0
111.08021	1.3
117.06955	1.3
119.08482	1.1
121.10104	2.8
123.11703	0.8
130.08575	0.6
131.06990	1.4
131.08530	1.4
133.10065	1.6
135.11667	1.4
144.09314	0.6
144.10196	6.4
145.10094	0.8
149.13228	5.4
159.11653	2.0
162.11208	5.0
177.12675	0.6
182.69511	0.5
184.07404	0.5
195.13783	2.1
198.64177	0.4
218.13785	1.1
218.47252	0.5
226.54944	0.5
236.14890	100.0
237.15236	1.3
269.17453	15.0
360.43835	0.5
360.67142	0.5
463.30460	15.2
463.36969	0.8
464.30331	0.7
480.36807	21.8
481.36935	0.6
486.37405	0.5
498.37823	83.2
499.38559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00299	0.8
71.61547	1.0
71.61952	2.0
78.69437	0.8
81.03389	1.0
82.99841	2.6
85.02883	2.2
88.61868	0.8
97.02873	2.2
101.00861	12.0
103.02398	2.7
104.36464	1.0
109.02853	1.2
113.00872	3.3
119.01903	28.9
127.02394	8.0
129.03992	1.6
131.01874	18.3
133.03400	1.8
137.02914	3.9
139.02428	2.3
143.01872	19.7
145.03436	49.1
146.03566	1.7
147.01347	3.2
149.02879	3.2
155.01854	23.5
157.03442	19.1
161.02936	26.2
161.04288	1.3
163.04514	5.6
167.01851	11.2
169.03445	3.5
169.07848	0.9
171.01329	6.0
171.05008	3.1
173.02937	48.3
174.03091	2.8
175.00848	1.5
175.04515	5.2
179.01880	3.2
181.03401	1.8
183.01318	1.3
185.02927	47.9
187.04529	5.8
189.02444	9.7
191.04059	2.2
197.02927	18.9
199.00893	4.4
199.04556	4.0
201.02440	2.8
201.05765	1.2
203.03979	16.6
209.02971	2.9
211.04427	1.3
215.03958	11.2
217.01904	56.4
218.02057	1.4
221.05069	8.0
223.06548	1.5
227.01884	1.8
227.03941	8.9
229.01903	10.3
230.50688	1.0
235.02946	23.3
239.03876	1.5
245.05034	100.0
246.05278	3.3
247.02937	11.9
247.06723	2.4
253.04102	2.0
257.05014	12.6
258.04816	2.2
263.06055	12.0
265.04034	3.1
275.06073	10.9
277.04016	20.6
286.07532	1.3
293.07214	5.0
301.04001	12.3
305.07077	11.6
317.04404	2.0
319.05072	31.5
319.08447	1.5
320.05139	1.5
335.08185	4.2
337.06116	39.8
337.09793	1.6
338.06372	1.2
365.09216	13.5
481.10303	1.1
499.13516	66.5
500.11832	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	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.4
55.05499	3.6
57.01818	1.5
57.03435	14.4
59.04994	8.0
61.02926	9.0
67.05481	6.6
69.03070	2.2
69.03419	32.7
69.07064	19.3
71.01334	3.5
71.04993	3.5
71.62248	2.3
71.62622	1.8
73.02910	46.8
79.05466	3.9
81.03397	7.2
81.07048	26.5
83.04981	2.9
85.02896	57.6
87.04456	11.5
91.03950	2.4
91.05463	6.2
93.07034	32.6
94.33071	1.6
95.04943	7.0
95.08577	6.7
97.02881	55.2
99.04439	3.8
103.03970	1.9
105.07012	8.2
107.08572	7.4
109.02861	7.7
109.06507	4.5
109.10137	13.9
111.08067	21.8
115.03148	2.2
115.03918	29.7
119.08533	4.4
121.02864	3.6
121.10117	12.0
123.04420	1.9
123.11694	100.0
124.11950	2.2
127.03907	18.5
132.06583	1.7
133.04950	29.1
133.10139	6.1
137.09612	3.6
145.04953	29.5
149.09628	2.1
151.11165	55.8
163.06006	9.4
165.09027	2.5
167.10631	3.3
169.12216	66.9
183.10130	2.3
184.07326	3.6
187.13264	42.3
207.06563	2.6
216.08830	2.0
223.06068	4.3
233.17523	1.7
241.07054	5.7
242.48424	1.7
247.13211	2.3
259.07990	10.4
265.14352	2.9
277.09271	2.7
283.15341	23.5
294.11612	2.1
295.10367	3.8
296.65811	1.7
301.16394	8.7
313.16296	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	498.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23123	0.9
53.03933	2.6
55.01880	1.1
55.05504	3.0
57.03424	4.1
59.62432	0.9
60.04519	1.0
67.05498	14.5
69.03425	8.9
69.07039	1.9
69.99390	5.5
70.06583	1.2
71.04977	3.2
73.02915	1.6
79.05463	4.5
81.03409	19.0
81.07043	13.3
83.04955	2.8
83.08592	1.3
85.02900	11.5
85.06533	2.3
91.05463	3.0
93.07055	7.6
95.04964	5.9
95.08589	10.1
97.02897	7.0
97.06493	2.5
97.10123	1.5
99.04441	4.2
99.08076	1.7
101.06016	1.6
101.32238	1.1
105.07031	2.0
107.04975	1.1
107.08578	4.9
109.02865	20.1
109.06486	1.6
109.10143	40.8
110.10493	1.0
111.04422	1.3
111.08069	1.8
113.05978	1.0
115.03936	1.0
118.03606	1.0
119.08550	3.1
121.02866	8.9
121.06540	1.3
121.10153	3.6
123.04412	1.3
123.11700	1.5
125.05985	1.9
125.09555	1.4
127.03909	11.4
129.05432	1.0
135.08026	3.4
137.06001	5.3
137.09601	100.0
138.06287	1.6
138.09959	2.3
139.03882	2.5
139.11166	8.7
141.12744	3.4
142.03209	4.0
145.02820	3.0
145.04979	3.9
145.10124	1.9
147.04413	3.4
149.05959	1.3
152.07004	2.0
154.08580	1.2
155.10670	6.7
157.12201	6.6
161.05849	1.5
163.03854	1.3
163.06067	0.9
163.07533	1.6
165.09096	96.0
166.09433	2.3
167.07063	1.2
169.12183	4.9
169.15880	2.1
173.65163	0.9
177.05446	8.5
178.05765	1.1
181.08601	1.2
183.10133	8.1
189.12761	1.0
201.11217	9.7
252.08640	1.0
263.12881	1.0
283.08221	1.3
286.26993	0.9
291.12222	11.4
301.16528	1.4
309.13293	67.9
310.13675	4.4
316.09216	1.0
319.17389	1.3
327.14322	15.5
330.10361	1.0
345.15469	4.9
420.69147	1.1
445.20569	1.6
498.22574	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	497.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
54.10662	1.7
54.42321	2.2
55.01863	4.6
55.05502	7.5
57.03424	8.9
61.02910	8.3
61.81473	2.4
67.05500	13.6
69.03421	28.9
69.07056	8.3
70.11448	6.1
71.04978	7.2
71.29063	1.8
73.02908	4.3
79.05479	14.4
81.03425	20.5
81.07047	48.7
81.29636	2.0
82.03734	3.9
82.07371	2.1
83.04967	6.1
83.08608	8.9
85.02895	100.0
85.06517	3.7
91.03944	6.1
91.05467	16.9
92.05799	3.3
93.07034	22.8
95.04965	7.9
95.08587	20.7
97.02886	22.9
97.06522	5.7
97.10127	3.0
99.04443	4.6
105.07007	21.6
107.08582	28.9
109.02872	11.8
109.06520	15.6
109.10129	14.1
111.04427	3.6
111.08052	7.1
117.07022	4.3
119.04939	2.8
119.08580	24.2
121.02863	10.7
121.06506	3.8
121.10118	20.5
122.03208	4.7
123.03276	2.0
123.04417	7.5
123.07954	4.4
123.11728	4.4
125.05949	3.2
125.09613	4.3
127.03902	28.3
129.06961	2.8
129.30524	2.2
131.08556	8.1
133.10120	14.8
135.08064	10.2
135.11682	21.9
137.05911	4.0
137.09604	6.3
137.13258	3.0
139.03876	4.7
139.07564	2.3
139.11205	3.1
143.08537	4.5
145.02974	2.3
145.04959	36.4
145.10110	15.3
147.04346	9.5
147.08061	2.0
147.11658	15.2
149.06049	2.6
149.09601	8.9
149.13214	5.5
151.03850	4.3
151.11108	3.6
155.08527	2.4
157.10097	8.6
159.07935	2.3
159.11694	9.8
161.09567	3.9
161.13260	9.6
163.03911	3.5
163.06015	6.1
163.11142	5.3
163.14809	5.5
165.05434	15.2
165.09045	4.3
167.06961	2.1
169.10060	2.2
171.11809	2.6
173.13278	7.2
175.11143	3.7
175.14815	3.9
177.05482	6.6
177.16432	2.4
179.14323	4.6
181.12277	9.5
183.11678	3.8
185.13283	5.2
187.14774	3.9
189.05557	2.2
189.12764	2.6
189.16327	3.4
191.03319	2.4
192.85364	2.4
193.12210	4.7
194.12547	3.8
197.31589	2.1
199.14850	4.4
201.16364	2.1
203.14352	2.6
211.13222	3.7
211.14972	3.2
212.13672	4.4
213.16261	2.3
215.17970	11.4
225.16425	3.3
227.17946	10.7
233.18951	2.4
253.19518	2.0
255.21007	3.3
273.22086	64.2
281.22653	13.6
299.20221	2.2
299.23651	52.2
317.10126	13.7
317.21078	5.4
317.24753	8.9
388.30649	2.1
451.28391	4.7
461.28729	2.7
479.28409	2.4
497.30283	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	497.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05499	4.3
57.03426	2.4
57.07047	1.3
58.00207	1.2
67.05489	9.8
67.94004	1.2
69.03432	7.7
69.07055	7.8
71.04980	2.0
71.14379	2.7
71.14704	1.7
73.02905	1.8
74.56111	1.2
79.05470	8.7
79.69334	1.1
81.03397	5.3
81.07049	29.5
83.04977	2.0
83.08598	3.4
85.02889	22.3
85.06532	2.2
91.05460	11.6
93.07035	17.6
95.04935	1.9
95.08590	22.8
95.09151	1.9
97.02853	6.6
97.06499	3.4
97.10152	2.7
99.04431	2.0
105.07018	18.5
107.08576	19.0
108.04488	1.5
109.02856	4.3
109.06516	3.2
109.10146	9.9
111.08131	2.2
111.11651	1.5
117.07012	5.1
119.08564	17.3
121.02824	1.7
121.06540	2.1
121.10137	13.1
123.04434	2.9
123.11674	4.7
125.09663	1.5
127.03872	5.9
129.07021	2.6
131.08545	17.1
133.09119	1.5
133.10117	28.6
135.08032	2.8
135.11642	7.3
137.09604	4.7
137.13258	2.7
142.07733	3.7
143.08549	8.4
145.02809	4.2
145.04945	6.0
145.10103	16.6
147.04343	6.5
147.11652	14.0
149.09596	2.6
149.13257	10.2
151.11151	6.8
153.01862	2.2
155.08492	3.6
157.10095	28.1
159.08035	1.7
159.11667	19.3
161.13237	8.8
163.06042	3.2
163.11169	4.2
163.14818	3.4
165.05441	1.9
165.09077	2.3
165.12659	2.9
169.10077	6.2
171.11656	8.8
173.09659	1.6
173.13205	10.5
175.11188	5.8
175.14806	3.8
177.05466	9.7
183.11664	10.3
185.13213	11.2
187.14827	6.3
191.14325	2.6
196.12448	2.3
197.13216	9.7
199.14726	9.2
201.16364	7.2
203.14249	1.5
211.08636	3.2
211.14783	13.0
212.15364	1.5
213.16318	9.7
215.14145	1.5
215.17972	2.8
223.14891	1.9
225.10280	2.8
225.16393	8.6
229.15828	2.3
237.16373	1.7
239.11723	5.3
239.17825	9.8
241.19595	2.2
253.09673	1.7
253.19582	3.1
255.21083	10.2
267.11298	7.0
270.38654	1.3
273.22000	1.8
281.22583	82.2
282.23187	2.3
295.10657	4.5
297.12357	1.6
299.23648	100.0
300.23923	1.8
313.11780	25.4
317.24713	13.7
341.11453	1.7
373.13876	74.6
497.27420	2.6
497.36023	1.3
511.59326	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01849	4.1
55.05501	15.9
57.03419	2.9
63.21830	1.8
65.03912	2.4
65.24127	2.0
67.05488	23.1
69.03428	9.9
69.07058	10.2
71.04959	7.2
71.62643	3.2
71.63033	3.0
71.83111	2.2
79.05475	23.4
81.03405	10.3
81.06573	3.1
81.07045	50.3
83.04953	6.5
83.08601	6.9
85.02891	11.0
85.06499	4.2
91.05466	30.9
93.07027	40.7
95.04951	15.0
95.08585	30.5
97.02859	7.4
97.06509	7.4
97.10127	5.2
98.41472	1.8
99.04427	5.2
103.05465	3.1
105.07015	51.9
107.04971	3.9
107.08578	46.7
109.02860	3.4
109.06488	11.2
109.10139	28.7
111.04412	2.5
111.08060	6.5
113.06007	2.0
115.03904	3.3
115.05470	3.2
116.06152	2.3
117.06992	16.5
119.04900	2.5
119.08560	77.4
121.06475	7.0
121.10132	25.5
123.04398	4.4
123.08037	7.1
123.11660	7.6
125.06023	4.1
125.09615	6.6
127.03859	4.6
128.06154	5.2
129.06989	11.9
131.08548	42.8
132.13043	2.1
133.06479	3.8
133.10112	43.3
135.08011	10.0
135.11671	26.6
137.09616	9.9
139.03911	3.4
141.06958	2.9
142.07722	6.3
143.08537	24.0
144.09163	2.6
144.26186	1.9
145.06487	4.2
145.10103	68.8
147.04358	7.4
147.08049	6.1
147.11667	23.4
149.05966	3.8
149.09561	7.4
149.13210	9.1
151.07539	5.7
151.11159	24.2
153.06964	2.5
154.14470	2.0
155.08589	9.4
156.09317	7.3
157.10117	30.9
158.10838	3.5
159.08057	5.2
159.11662	30.8
161.09596	12.7
161.13258	19.3
163.07483	5.4
163.11136	12.0
163.14836	7.6
165.09081	12.2
165.12723	4.9
167.08545	3.1
168.09267	2.9
169.10049	12.7
170.10826	4.7
171.07945	2.4
171.11646	24.5
172.12376	2.2
173.09558	6.4
173.13216	26.3
175.07567	2.9
175.11139	9.3
175.14810	15.7
177.08974	2.8
177.12659	4.2
177.16331	5.0
181.10060	4.0
182.10919	2.4
183.06467	6.9
183.11699	13.6
185.09615	3.7
185.13235	28.6
187.07594	2.6
187.11160	6.4
187.14789	94.7
188.15256	2.3
189.09108	5.2
189.12656	4.1
189.16383	15.5
191.10719	3.4
191.14220	4.5
193.10091	3.1
193.12225	7.7
195.11641	7.0
196.12181	2.5
197.08064	10.8
197.13202	10.4
199.11108	3.5
199.14775	18.6
201.09082	2.8
201.12584	2.8
201.16333	15.5
203.10599	2.5
203.14255	4.2
203.17960	3.3
207.11630	3.1
209.08037	8.6
209.13255	5.8
211.13049	2.6
211.14847	9.8
213.12593	3.9
213.16281	14.8
215.14337	4.7
215.18028	11.0
217.15791	3.8
219.13747	2.8
223.09590	4.8
225.12933	2.6
225.16414	4.7
227.17905	9.1
229.12233	2.3
231.13705	3.4
233.15321	3.6
237.11195	14.5
239.12700	3.0
239.17941	5.8
241.19585	2.8
245.15366	4.1
249.11151	5.6
251.12750	21.5
255.20970	2.4
259.16827	4.1
263.12772	13.6
265.14294	4.5
275.12744	3.1
277.14319	17.9
279.15622	2.7
281.22531	10.6
299.23639	43.2
317.21255	4.1
317.24661	17.1
342.12106	2.4
357.20639	3.5
375.26862	2.4
415.26358	2.3
421.27567	2.3
433.27164	7.3
451.28363	100.0
452.28766	2.7
453.30032	9.5
461.26578	4.0
479.27942	18.2
479.34613	2.4
479.36978	2.0
497.28864	61.7
507.88995	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
55.01849	4.1
55.05501	15.9
57.03419	2.9
63.21830	1.8
65.03912	2.4
65.24127	2.0
67.05488	23.1
69.03428	9.9
69.07058	10.2
71.04959	7.2
71.62643	3.2
71.63033	3.0
71.83111	2.2
79.05475	23.4
81.03405	10.3
81.06573	3.1
81.07045	50.3
83.04953	6.5
83.08601	6.9
85.02891	11.0
85.06499	4.2
91.05466	30.9
93.07027	40.7
95.04951	15.0
95.08585	30.5
97.02859	7.4
97.06509	7.4
97.10127	5.2
98.41472	1.8
99.04427	5.2
103.05465	3.1
105.07015	51.9
107.04971	3.9
107.08578	46.7
109.02860	3.4
109.06488	11.2
109.10139	28.7
111.04412	2.5
111.08060	6.5
113.06007	2.0
115.03904	3.3
115.05470	3.2
116.06152	2.3
117.06992	16.5
119.04900	2.5
119.08560	77.4
121.06475	7.0
121.10132	25.5
123.04398	4.4
123.08037	7.1
123.11660	7.6
125.06023	4.1
125.09615	6.6
127.03859	4.6
128.06154	5.2
129.06989	11.9
131.08548	42.8
132.13043	2.1
133.06479	3.8
133.10112	43.3
135.08011	10.0
135.11671	26.6
137.09616	9.9
139.03911	3.4
141.06958	2.9
142.07722	6.3
143.08537	24.0
144.09163	2.6
144.26186	1.9
145.06487	4.2
145.10103	68.8
147.04358	7.4
147.08049	6.1
147.11667	23.4
149.05966	3.8
149.09561	7.4
149.13210	9.1
151.07539	5.7
151.11159	24.2
153.06964	2.5
154.14470	2.0
155.08589	9.4
156.09317	7.3
157.10117	30.9
158.10838	3.5
159.08057	5.2
159.11662	30.8
161.09596	12.7
161.13258	19.3
163.07483	5.4
163.11136	12.0
163.14836	7.6
165.09081	12.2
165.12723	4.9
167.08545	3.1
168.09267	2.9
169.10049	12.7
170.10826	4.7
171.07945	2.4
171.11646	24.5
172.12376	2.2
173.09558	6.4
173.13216	26.3
175.07567	2.9
175.11139	9.3
175.14810	15.7
177.08974	2.8
177.12659	4.2
177.16331	5.0
181.10060	4.0
182.10919	2.4
183.06467	6.9
183.11699	13.6
185.09615	3.7
185.13235	28.6
187.07594	2.6
187.11160	6.4
187.14789	94.7
188.15256	2.3
189.09108	5.2
189.12656	4.1
189.16383	15.5
191.10719	3.4
191.14220	4.5
193.10091	3.1
193.12225	7.7
195.11641	7.0
196.12181	2.5
197.08064	10.8
197.13202	10.4
199.11108	3.5
199.14775	18.6
201.09082	2.8
201.12584	2.8
201.16333	15.5
203.10599	2.5
203.14255	4.2
203.17960	3.3
207.11630	3.1
209.08037	8.6
209.13255	5.8
211.13049	2.6
211.14847	9.8
213.12593	3.9
213.16281	14.8
215.14337	4.7
215.18028	11.0
217.15791	3.8
219.13747	2.8
223.09590	4.8
225.12933	2.6
225.16414	4.7
227.17905	9.1
229.12233	2.3
231.13705	3.4
233.15321	3.6
237.11195	14.5
239.12700	3.0
239.17941	5.8
241.19585	2.8
245.15366	4.1
249.11151	5.6
251.12750	21.5
255.20970	2.4
259.16827	4.1
263.12772	13.6
265.14294	4.5
275.12744	3.1
277.14319	17.9
279.15622	2.7
281.22531	10.6
299.23639	43.2
317.21255	4.1
317.24661	17.1
342.12106	2.4
357.20639	3.5
375.26862	2.4
415.26358	2.3
421.27567	2.3
433.27164	7.3
451.28363	100.0
452.28766	2.7
453.30032	9.5
461.26578	4.0
479.27942	18.2
479.34613	2.4
479.36978	2.0
497.28864	61.7
507.88995	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2889
Annotation	Triptohypol A
Peak:m/z	Relative Intensity
51.02369	1.3
53.03928	2.0
55.01852	2.2
55.05504	8.4
57.03405	1.6
59.41802	1.5
67.05498	9.9
69.03417	2.6
69.07045	6.2
69.50216	4.0
69.50638	9.0
71.04961	4.2
71.95333	1.2
79.05475	17.6
81.07045	28.6
82.07408	1.5
83.04953	1.8
83.08590	2.7
85.02872	2.5
91.05473	17.8
93.07023	23.7
95.04944	5.4
95.08586	19.5
97.02863	2.2
97.06489	3.0
102.33049	1.5
103.05436	1.8
105.07021	30.7
107.08581	19.2
109.06492	16.3
109.10143	11.1
110.85834	1.2
111.04378	2.1
111.08054	2.5
115.05434	2.2
117.07001	11.1
119.08559	38.1
121.06492	3.5
121.10136	11.7
123.08033	4.0
123.11666	2.4
125.05998	2.0
127.07546	5.1
128.06223	3.7
129.06984	8.5
130.07782	1.8
131.08562	24.7
133.06494	2.2
133.10091	15.3
135.08031	5.3
135.11659	4.4
137.06001	3.0
137.09657	1.8
139.03882	3.5
139.19724	1.3
141.06926	2.2
142.07748	5.2
143.08551	18.6
144.09354	1.9
145.10097	31.0
147.08031	3.9
147.11690	10.0
149.05959	1.5
149.09563	3.1
149.13219	5.1
151.07527	2.3
153.06956	1.8
153.09111	1.4
154.07765	1.4
155.08549	7.7
156.09290	4.5
157.10123	19.3
159.08006	2.4
159.11653	14.2
161.09608	3.0
161.13213	7.6
163.07431	3.2
163.11194	2.1
163.14812	3.5
165.05559	1.9
165.06982	2.8
165.09134	1.4
167.08549	3.1
168.09322	1.9
169.10086	10.5
170.10887	2.1
171.07986	2.4
171.11665	23.1
173.09544	2.8
173.13278	13.0
175.11177	3.5
175.14819	9.2
177.09100	3.7
177.12730	2.1
177.16414	1.8
180.09393	1.6
181.10100	3.9
183.06519	25.8
183.11655	14.5
184.12471	1.9
185.09625	1.6
185.13225	26.4
187.11200	3.6
187.14780	21.8
189.09093	3.1
189.12770	2.6
189.16354	8.9
191.10574	1.8
195.11667	8.9
197.13239	10.0
199.11136	2.2
199.14799	14.0
201.12718	4.0
201.16359	5.7
203.10582	3.1
203.17888	1.6
207.09894	1.6
207.11752	2.6
209.08029	11.8
209.13225	7.1
211.14798	10.2
213.12714	2.6
213.16328	14.9
215.14235	1.9
215.18027	2.5
219.13943	1.8
221.13202	3.5
223.09628	3.7
223.14861	2.7
225.12584	1.8
225.16318	4.1
227.17920	3.3
229.12129	3.2
231.13829	3.9
233.13147	1.4
233.15387	1.7
235.14796	1.6
237.11133	8.2
237.16336	2.8
239.17903	3.4
249.11098	2.7
251.12746	10.2
251.17984	1.5
255.20952	1.5
257.15497	3.1
259.17010	2.3
263.12781	5.7
277.14252	3.9
277.19434	1.9
279.15939	1.5
288.93753	1.3
306.18604	1.4
403.26187	2.4
407.25513	1.7
415.26340	2.3
433.27493	6.4
451.28381	46.5
453.30072	2.8
461.26401	3.3
479.27719	18.1
497.17572	3.2
497.28870	100.0
498.29041	3.0
509.22186	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2887
Annotation	Triptohypol A
Peak:m/z	Relative Intensity
55.05486	5.4
57.03430	1.5
67.05495	8.9
69.03408	2.7
69.07047	7.3
69.94948	7.5
71.04991	1.2
77.03926	1.5
79.05473	10.7
81.03395	1.5
81.07038	23.9
83.04939	2.7
83.08599	2.6
85.02873	2.1
85.06503	1.2
91.05464	18.1
93.07023	18.3
95.04958	4.7
95.08588	20.6
97.02885	1.3
97.06522	2.6
103.05466	1.2
105.07014	38.1
107.04926	1.9
107.08575	22.1
109.06493	10.2
109.10155	9.4
113.06023	1.4
115.03912	1.3
115.05504	1.8
117.06992	10.7
119.04907	1.7
119.08558	80.6
121.06481	3.7
121.10126	10.0
123.08040	4.4
123.11684	2.4
125.05965	2.3
125.09686	1.7
127.07519	2.1
128.06168	3.2
129.07022	6.4
130.07803	3.1
131.08545	27.2
131.25044	1.3
133.06458	2.6
133.10106	22.2
135.08023	2.9
135.11673	5.1
137.09573	4.1
139.07491	1.9
141.06940	3.5
142.07753	6.9
143.08543	21.4
144.09344	3.9
145.06454	3.3
145.10100	47.9
147.08020	4.0
147.11670	14.3
149.05931	1.8
149.09586	4.6
149.13213	3.5
151.07529	1.4
155.08519	7.0
156.09332	5.3
157.06442	2.5
157.10107	21.8
158.10869	3.2
159.08014	2.8
159.11670	20.3
161.09604	5.9
161.13223	12.0
163.07484	4.4
163.11169	3.7
163.14746	7.1
165.06924	1.4
165.09099	1.4
167.08464	2.7
168.09384	1.7
169.10115	10.1
170.10936	3.1
171.07945	2.1
171.11658	14.5
172.12285	1.2
173.09654	5.7
173.13229	17.1
175.07532	1.2
175.11145	4.4
175.14792	18.1
177.09142	1.7
177.12697	2.2
177.16376	5.0
179.08479	1.3
181.10110	4.3
182.10817	2.0
183.06519	7.8
183.11667	9.5
184.12511	1.3
185.09612	3.1
185.13216	17.7
187.11153	2.9
187.14786	32.3
189.09041	1.2
189.12753	1.7
189.16347	15.5
191.10669	4.2
191.14217	1.7
193.10092	2.0
195.11702	7.1
196.12332	1.4
197.08040	4.7
197.09621	1.8
197.13214	8.9
199.11159	3.3
199.14793	11.5
201.12680	2.8
201.16341	14.4
203.10672	2.8
203.14308	1.9
203.17920	3.8
205.12260	1.5
209.08093	3.6
209.13347	2.8
211.14833	6.8
213.12723	4.3
213.16322	10.9
215.10661	2.4
215.14252	5.4
215.17894	4.1
217.12117	2.5
219.13774	2.8
221.13333	1.7
221.15207	1.5
223.09558	10.4
223.14824	2.0
225.16379	2.8
227.17874	3.6
229.19547	1.2
231.13744	2.4
233.15320	5.0
235.09589	1.8
237.11098	12.1
239.17894	2.3
241.12210	2.8
245.15257	1.5
247.16933	1.6
249.11229	13.4
251.12737	63.9
252.12930	2.0
259.13190	1.7
259.16953	1.8
261.11154	3.3
263.12744	31.0
265.14307	4.4
273.18616	1.7
275.12671	7.0
277.14325	21.0
279.15848	2.4
289.14331	2.4
352.56137	1.2
355.19061	1.4
357.20746	2.1
403.26367	1.9
405.28101	2.3
415.26456	1.8
423.29031	2.1
425.14600	1.2
433.27295	3.4
451.28363	100.0
452.28558	4.1
453.29837	3.2
461.26929	3.4
461.80322	1.2
479.21408	2.2
479.27847	28.5
480.28027	1.3
481.15552	1.5
482.15750	3.2
497.18314	10.4
497.28860	62.4
498.17944	1.4
498.29288	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	497.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.05509	1.7
57.03448	1.8
67.05499	14.3
68.48981	0.7
69.03416	7.8
69.07047	1.1
69.34806	8.4
71.04974	1.9
79.05476	2.5
80.05086	0.7
80.06281	0.8
81.03407	15.3
81.07049	11.6
82.85606	0.7
85.02906	2.9
87.04513	0.8
91.05509	2.0
93.07043	4.2
95.04967	2.8
95.08598	8.0
97.02878	3.9
99.04459	3.0
99.08103	0.8
99.71876	0.8
107.08592	1.9
109.02860	16.4
109.06501	1.6
109.10142	41.2
110.10476	1.2
111.04416	2.2
117.05434	1.4
119.08537	2.1
121.10145	1.3
125.05962	1.7
127.03893	8.1
135.08051	2.2
137.09599	100.0
138.09927	1.5
140.07114	1.3
147.04323	0.9
153.07570	2.1
155.10651	7.3
165.09096	86.7
166.09521	1.6
177.05472	1.4
178.05553	0.9
181.67581	0.9
183.10120	6.4
193.75943	0.9
201.11192	11.7
278.87894	0.8
291.12225	6.7
309.13287	54.2
310.13528	1.5
327.14417	12.9
345.15479	3.4
461.20117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2224
Annotation	Selexipag
Peak:m/z	Relative Intensity
53.03941	1.9
55.05509	1.7
57.03448	1.8
67.05499	14.3
68.48981	0.7
69.03416	7.8
69.07047	1.1
69.34806	8.4
71.04974	1.9
79.05476	2.5
80.05086	0.7
80.06281	0.8
81.03407	15.3
81.07049	11.6
82.85606	0.7
85.02906	2.9
87.04513	0.8
91.05509	2.0
93.07043	4.2
95.04967	2.8
95.08598	8.0
97.02878	3.9
99.04459	3.0
99.08103	0.8
99.71876	0.8
107.08592	1.9
109.02860	16.4
109.06501	1.6
109.10142	41.2
110.10476	1.2
111.04416	2.2
117.05434	1.4
119.08537	2.1
121.10145	1.3
125.05962	1.7
127.03893	8.1
135.08051	2.2
137.09599	100.0
138.09927	1.5
140.07114	1.3
147.04323	0.9
153.07570	2.1
155.10651	7.3
165.09096	86.7
166.09521	1.6
177.05472	1.4
178.05553	0.9
181.67581	0.9
183.10120	6.4
193.75943	0.9
201.11192	11.7
278.87894	0.8
291.12225	6.7
309.13287	54.2
310.13528	1.5
327.14417	12.9
345.15479	3.4
461.20117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
53.36357	0.4
55.01862	0.6
55.05502	0.4
57.03418	0.9
61.02888	0.7
65.03923	1.0
67.05497	2.0
69.03426	3.4
69.07057	37.7
70.71938	1.2
71.04974	0.5
73.02882	0.5
79.05455	1.1
81.03413	2.1
81.05797	0.3
81.07040	3.3
85.02893	6.8
85.06498	0.6
87.04433	0.7
91.05457	0.9
92.04999	0.4
93.05762	0.5
93.07021	1.4
94.06528	1.7
95.04939	0.8
95.08573	1.2
97.02874	2.4
97.06516	7.0
99.04443	1.9
105.07011	0.8
107.08592	0.7
109.02849	1.2
109.06466	0.6
109.10132	1.3
110.10450	0.6
111.08048	0.6
111.88270	0.4
117.05439	0.6
117.07013	0.6
119.04915	0.7
119.08533	0.8
121.05265	0.5
122.06000	4.6
123.04430	0.4
124.07553	1.4
125.05955	0.7
125.09627	0.4
126.09140	0.5
127.03868	1.7
131.07359	0.4
132.15730	0.4
137.05943	1.9
137.09595	1.7
138.05487	3.0
138.09979	1.0
139.03979	0.5
140.07031	3.0
144.08083	0.7
145.04906	0.6
145.08946	0.8
145.10031	0.8
146.09628	1.4
147.04372	1.5
147.06693	0.6
148.03929	0.5
150.05479	45.7
152.16728	0.4
157.08842	0.7
160.11127	0.4
161.08331	2.3
161.09517	0.5
162.09106	2.1
163.03827	0.6
164.03458	0.8
165.04265	0.5
165.09105	2.1
166.04967	11.3
166.09445	0.7
167.07018	3.5
168.06496	0.8
172.07506	0.8
172.11185	2.4
173.08275	0.8
174.09129	0.8
174.12785	3.8
176.03380	3.6
177.05415	0.7
178.04919	1.2
185.08379	0.9
186.07570	0.7
188.10745	0.6
190.08636	0.6
190.12253	4.0
191.03334	1.0
192.02893	0.6
194.04474	1.7
198.09190	0.6
200.10698	3.9
202.12233	4.4
204.10086	0.6
206.11664	0.6
213.10144	0.4
215.08281	0.4
216.10271	2.5
218.08345	0.6
218.11714	14.1
226.08759	0.6
228.10170	8.6
234.11200	2.0
238.29553	0.5
243.11298	1.4
244.09660	1.4
245.12828	0.7
246.11218	12.4
255.11227	0.9
256.09616	1.2
257.09253	0.8
261.12341	0.7
269.09262	0.5
271.10657	3.3
272.09042	1.8
273.12259	1.8
274.10809	1.9
287.10242	5.3
289.11780	5.7
290.10168	1.3
291.13379	0.6
299.10168	3.1
309.13147	0.5
310.13556	1.3
317.11279	20.1
318.09668	1.5
335.12311	100.0
336.12527	2.4
343.07901	0.8
476.20291	0.4
497.17343	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	496.3388
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05480	0.4
56.05014	0.6
57.07064	3.2
58.06602	1.4
60.08154	16.0
62.49767	0.4
65.69675	0.4
67.05492	0.8
69.85539	1.2
69.85960	1.4
71.07364	5.2
71.08617	1.8
76.71989	0.3
80.64898	0.4
81.07034	1.2
82.67332	0.3
83.08567	0.5
85.10174	0.9
86.09692	46.1
87.10011	0.5
89.19085	0.4
89.45466	0.4
95.08597	1.0
98.21466	0.5
98.98435	3.5
104.10726	100.0
105.11052	0.8
109.10138	0.6
119.76940	0.4
119.77941	0.4
124.99980	22.7
148.25417	0.4
163.01486	0.5
184.07309	94.3
185.07678	0.5
258.11090	0.9
313.27310	1.7
419.25598	0.4
478.32855	9.4
496.33902	45.2
497.34146	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
56.05016	0.5
57.03421	0.3
57.07058	0.6
58.06350	0.2
58.06628	0.4
59.07384	0.1
60.08155	6.0
61.18438	0.1
64.14820	0.1
67.05484	0.3
69.07053	0.3
69.42368	0.1
71.07367	2.5
71.08629	0.6
79.05475	0.2
81.07058	0.6
81.42121	0.1
85.10168	0.3
86.09692	27.5
87.10013	0.2
91.05474	0.2
93.07027	0.3
95.08578	0.6
97.06556	0.1
98.21449	0.2
98.98447	2.2
104.10726	3.1
104.36436	0.1
105.07018	0.2
107.08578	0.3
109.10139	0.2
119.08514	0.3
124.99987	18.8
130.72186	0.1
133.10143	0.3
143.01006	0.3
145.10094	0.2
147.11615	0.1
156.49290	0.1
159.11679	0.1
166.02675	0.2
184.07314	100.0
185.07683	0.6
189.16260	0.2
203.17868	0.3
222.11807	0.1
258.10956	0.2
313.27216	0.2
478.32751	1.2
496.33868	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01863	0.9
55.05496	1.2
57.03426	1.7
57.07061	2.7
61.02914	4.0
65.03927	0.6
67.05489	4.3
69.03413	7.0
69.07049	4.6
71.01332	0.3
71.04983	1.4
71.42464	0.5
73.02901	1.6
79.05477	7.7
81.03403	3.2
81.07038	100.0
82.07359	1.3
83.01319	0.2
83.05020	0.2
83.08640	0.3
85.02885	48.5
85.06511	0.3
86.03220	0.3
87.04449	0.7
91.03938	2.3
91.05440	1.1
93.07031	1.6
95.04977	0.6
95.08585	22.9
96.08938	0.3
97.02870	11.2
97.10136	0.2
99.04427	1.7
101.02356	0.3
103.03944	0.4
105.07018	0.6
107.08573	0.9
109.02863	3.7
109.06503	0.2
109.10110	1.9
109.75523	0.2
111.04403	0.2
111.11700	1.7
115.03921	0.9
119.08562	0.4
121.06519	0.3
121.10146	0.6
122.52020	0.2
123.04433	0.4
123.08060	0.2
125.09554	0.3
127.03892	14.6
127.11159	0.6
131.08566	0.4
135.07985	0.3
135.11703	0.3
137.13225	29.7
138.13564	0.5
145.04929	28.6
145.10054	0.3
147.04390	0.6
147.11681	0.3
149.09541	0.3
149.13272	0.6
155.14264	1.5
159.11662	0.3
161.09518	0.2
161.13158	0.3
163.05977	15.1
163.11212	0.3
164.06250	0.3
165.09081	0.7
165.12762	0.3
167.08536	1.1
167.14326	0.5
175.00954	0.2
177.05487	0.3
180.08652	0.3
181.07129	0.3
191.03363	0.9
191.14410	0.2
204.08798	0.3
253.07173	0.3
275.58640	0.2
276.17410	0.2
289.09085	1.2
325.11246	4.3
357.09198	0.3
478.28134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01864	0.9
55.05509	1.0
57.03425	1.7
57.07067	2.4
61.02905	2.8
64.32666	0.3
67.05491	4.5
69.03416	6.0
69.07054	3.6
70.07463	1.3
71.04981	0.9
73.02894	1.8
79.05475	7.6
81.03403	2.5
81.07040	100.0
82.07364	1.4
82.75192	0.3
85.02887	43.7
87.04460	1.3
91.03951	2.0
91.05457	0.7
93.07034	1.2
95.04935	0.5
95.08590	19.3
96.08925	0.3
97.02872	9.8
98.20741	0.3
99.04418	2.0
103.03931	0.4
105.06994	0.5
107.08561	0.7
109.02856	3.6
109.10133	2.6
111.11697	0.7
115.03902	0.6
116.75269	0.2
121.10098	0.6
127.03890	13.2
137.13228	29.3
138.13539	0.6
145.04929	28.5
147.04416	0.3
155.14235	0.5
163.05984	16.8
164.06335	0.3
167.14391	0.3
176.68797	0.3
180.08560	0.3
181.06969	0.3
191.03296	0.5
268.15115	0.3
271.08121	0.5
289.08835	1.1
290.42798	0.3
325.11203	3.7
406.48727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
51.85604	0.2
51.86626	0.2
53.03926	0.4
55.05500	1.2
57.03405	0.2
57.07067	0.5
65.03929	1.0
67.05491	1.2
67.30412	0.2
69.03410	0.6
69.07063	1.0
70.06559	0.3
71.04939	0.3
71.63013	0.3
74.09688	0.3
79.05049	0.2
79.05476	2.5
81.03391	1.2
81.07047	1.6
82.07368	0.2
83.04955	0.6
83.08595	0.2
84.04514	0.2
85.02880	0.6
85.06516	0.2
86.09691	0.4
91.05463	10.5
92.60139	0.2
93.07027	14.8
94.07330	0.3
95.04938	1.3
95.08588	1.4
97.02878	0.2
97.06495	1.0
100.07551	0.2
100.11278	0.8
101.11600	0.2
105.04502	0.2
105.07003	1.6
107.08574	17.6
108.08887	0.3
109.02837	0.4
109.06498	0.6
109.10117	0.9
111.04415	0.4
112.15813	0.2
117.07011	0.3
119.04920	19.7
119.08540	0.8
121.10143	0.4
123.04411	0.3
123.08106	0.2
127.03894	0.4
131.08556	0.3
133.10109	0.5
135.11667	13.1
136.12003	0.2
138.19812	0.2
145.02794	0.2
145.10085	0.3
147.04381	100.0
148.04730	0.8
149.05966	0.2
151.07533	0.3
155.08557	0.2
156.13744	0.8
157.10066	0.3
157.14165	0.4
159.11626	0.3
161.13370	0.2
165.05452	1.9
167.00841	0.2
167.07036	0.2
168.13795	0.5
169.14120	0.2
171.11662	0.3
177.05408	0.3
181.08553	0.7
182.15372	0.5
184.13290	0.5
196.13324	0.4
209.16403	0.3
210.14845	0.5
211.11293	0.2
211.13295	0.2
211.15128	0.3
253.15823	0.5
281.15311	0.3
291.08530	0.8
309.09622	1.1
313.26590	0.2
356.11050	0.2
473.15262	0.2
496.29440	0.6
496.39441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72845	0.6
53.03938	1.6
55.01862	0.8
55.05517	1.6
57.03441	0.8
61.02900	0.7
67.05500	14.7
69.03420	3.9
69.07062	1.0
69.89408	1.3
69.89809	3.3
71.04993	1.0
79.05506	1.8
81.03413	14.1
81.03903	0.9
81.07047	10.5
85.02892	5.3
89.06006	1.0
91.05482	2.8
93.07033	4.2
95.04962	3.1
95.08584	6.1
97.02888	5.1
99.04450	2.9
99.08060	1.1
104.10698	0.9
105.07030	2.0
107.08573	3.2
108.04477	0.7
109.02866	15.1
109.06525	2.5
109.10148	39.6
111.04461	0.7
117.03335	1.3
119.04902	0.7
119.08557	3.3
121.10116	2.0
125.05962	2.3
127.03914	8.2
135.07985	1.4
135.11676	0.6
137.09604	100.0
137.13232	2.7
145.02875	3.5
145.04942	1.7
147.04396	4.2
147.11577	0.7
148.04721	2.1
148.11987	0.6
155.10654	6.9
162.75656	0.6
163.06023	0.7
165.09099	87.0
167.07022	1.1
168.67239	0.7
177.05440	5.5
178.05757	1.0
183.10173	8.0
184.07440	1.4
201.11208	12.0
285.16846	0.9
291.12225	10.5
309.13293	58.5
310.13687	0.9
316.23578	0.8
327.14349	16.7
345.15378	4.0
345.19040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
54.28323	0.7
55.05494	1.8
57.03450	1.8
59.04981	0.7
67.05495	13.5
69.03411	5.1
69.07056	6.5
70.62856	0.7
70.66578	1.4
71.04991	5.8
73.02906	5.9
79.05466	1.7
81.03407	14.4
81.07051	9.0
83.04980	1.2
85.02894	4.0
91.05477	3.0
93.07029	4.0
95.04955	3.7
95.08594	5.1
97.02901	4.4
97.06534	1.7
98.21369	0.9
99.04441	44.9
101.67968	0.8
107.08576	3.2
109.02859	15.5
109.03568	1.0
109.06496	2.2
109.10144	40.8
117.05488	17.8
119.04942	1.7
119.08585	3.2
121.02877	1.2
121.10134	1.2
123.04419	0.9
125.05989	2.2
127.03893	6.9
135.08060	3.2
137.09598	100.0
138.09955	1.4
145.02782	1.0
146.21175	0.7
147.04369	8.7
147.07930	1.0
150.05479	6.0
152.07173	0.8
155.10654	7.2
165.09093	87.8
166.05000	2.0
167.07048	1.7
167.14316	1.2
176.03514	0.9
177.05511	1.1
181.08569	1.1
183.10143	6.4
190.12340	1.2
197.13190	0.8
201.11177	10.4
218.11742	1.7
218.25287	0.8
228.10304	1.6
246.11301	1.7
275.27173	0.7
285.16931	1.6
289.11774	0.9
291.12247	8.0
309.13281	49.7
310.13675	1.0
317.11292	2.6
327.14319	13.5
335.12277	12.2
338.30569	0.9
345.15414	2.9
389.10776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
53.46468	0.6
55.01851	1.2
55.05505	2.2
57.03426	1.0
59.05004	0.8
61.02910	0.7
62.28352	0.6
67.05493	14.1
69.03418	4.3
69.07047	1.9
69.36169	7.0
70.06577	0.9
71.01337	0.7
71.04980	1.7
73.02927	0.8
79.05472	2.6
80.52380	0.7
81.03411	14.9
81.07043	9.4
85.02894	5.8
85.06512	0.8
91.05476	1.8
93.07046	4.8
95.04945	2.5
95.08594	5.9
97.02877	5.5
99.04442	2.5
99.08075	0.8
105.07018	1.0
107.08562	4.8
109.02862	15.3
109.06503	2.4
109.10138	40.0
110.10474	0.7
111.04415	1.4
112.07607	0.8
112.24370	0.7
113.05995	0.7
119.04932	0.9
119.08598	3.6
121.02750	0.8
121.06557	0.8
121.10142	3.4
123.08037	0.7
125.05966	2.0
127.03898	8.0
127.28602	0.8
133.10074	0.7
135.08061	2.7
135.11699	1.1
137.09596	100.0
145.02885	0.8
145.10159	0.7
147.04393	6.4
149.13243	1.6
153.12711	1.5
155.10678	5.8
159.08058	1.0
161.05956	0.7
163.03827	0.8
163.11212	1.3
165.09090	86.4
166.09392	1.5
167.07016	1.4
167.14320	2.0
170.11778	1.0
177.05472	2.9
181.12172	1.0
183.10155	8.1
185.15298	0.8
188.12761	1.8
193.20673	0.7
201.11189	10.7
243.12219	0.8
245.12033	0.8
279.40616	0.7
280.14542	0.7
285.47250	0.7
291.12244	10.3
309.13281	60.4
310.13666	1.0
327.14352	15.1
345.11160	1.0
345.15430	4.9
496.19266	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.05253	1.9
55.05501	20.1
57.03423	9.6
57.07062	1.5
59.04980	1.9
65.03927	2.1
67.05491	32.2
69.03414	6.0
69.07050	10.8
71.04977	6.6
79.05477	32.8
81.03402	67.1
81.07040	39.0
83.04964	15.6
83.08601	25.3
84.08863	1.1
85.02891	33.1
85.06537	2.7
91.03951	1.2
91.04886	1.9
91.05463	39.5
93.07023	27.7
95.04953	32.5
95.08593	19.4
97.02869	3.8
97.06514	6.9
97.10161	4.2
98.20727	3.3
98.42052	1.0
99.08092	1.7
103.05456	1.2
105.07009	31.9
107.04916	5.2
107.08577	12.4
109.06499	6.4
109.10133	7.1
111.04443	2.1
111.08054	12.0
113.05997	3.9
115.05453	2.7
117.07005	4.6
119.04898	1.6
119.08547	22.4
121.06491	2.0
121.10114	14.6
123.08047	3.7
123.11672	3.6
125.09615	2.9
127.11249	1.1
129.06969	13.3
131.08554	13.9
133.06458	3.8
133.10104	14.4
135.08037	1.7
135.11674	2.5
137.09601	3.1
139.07556	1.2
142.07777	4.1
143.08522	1.5
145.10120	4.7
147.08055	3.6
147.11659	19.9
149.09610	6.9
149.13290	2.3
155.08517	1.9
157.10118	16.1
159.11719	2.9
163.11040	1.9
165.12770	3.5
171.11647	1.5
172.12070	0.9
173.13235	1.1
175.11157	15.9
181.09991	1.1
185.13193	1.4
189.11258	1.7
190.74852	1.0
193.12204	55.1
200.15108	1.1
201.32538	1.1
211.13243	72.7
233.15479	1.2
267.15894	11.9
269.17386	1.2
285.16907	6.0
344.22931	1.1
349.21518	1.6
354.25018	1.8
359.22205	1.4
367.22568	2.0
382.24463	1.5
385.23605	1.4
403.24664	1.2
433.25766	1.0
459.27197	8.3
477.28467	14.8
495.29462	100.0
496.29932	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	495.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.1
53.58650	1.7
55.01849	4.0
55.05491	8.1
56.99744	1.5
57.03438	9.0
57.07043	3.3
61.02901	5.9
66.23094	1.7
67.05493	16.9
69.03070	2.1
69.03416	20.2
69.07059	15.4
69.41652	18.1
71.04987	4.1
73.02908	2.6
79.05484	18.0
81.03411	12.9
81.07040	59.2
83.04950	6.5
83.08608	5.5
85.02891	75.3
85.06513	5.6
87.04397	2.2
90.05126	1.9
91.03951	3.0
91.05456	26.5
92.13318	1.7
93.07027	22.4
95.04949	7.3
95.08590	19.4
97.02861	18.6
97.06506	3.6
97.10147	3.9
97.80045	2.0
98.20702	3.9
99.04424	7.0
105.07006	32.7
107.04932	4.5
107.08585	21.6
109.02831	7.4
109.06487	14.3
109.10164	12.9
111.04462	1.7
111.08064	2.9
117.03336	2.0
117.06982	10.8
119.04972	4.4
119.08573	21.0
121.02855	1.7
121.06521	4.3
121.10123	16.1
123.04446	2.2
123.08033	5.0
123.11664	5.5
125.09616	6.4
127.03906	20.3
127.07549	1.7
129.06990	4.6
129.50099	2.0
131.08540	37.5
133.06476	2.2
133.10103	90.8
135.08026	7.1
135.11685	13.3
137.09569	5.2
139.08461	1.7
139.11189	4.1
142.07808	3.3
143.08554	10.1
145.02794	5.0
145.04933	10.3
145.06371	2.8
145.10097	18.7
147.04366	11.0
147.11679	12.1
148.03166	2.2
149.09589	8.1
149.13205	6.1
151.07582	2.0
151.11075	10.7
153.09056	2.7
155.08530	11.6
156.34218	1.9
157.10118	19.6
159.11678	16.7
161.09576	3.8
161.13208	6.0
163.03880	3.1
163.11150	10.3
163.14769	4.9
165.05449	3.8
165.09074	3.7
165.12762	3.0
167.10638	4.1
169.10089	5.2
171.11647	11.2
173.13214	5.1
175.11148	4.4
175.14793	2.2
177.05414	13.7
177.12694	5.4
181.10088	2.9
183.11641	8.1
185.13232	6.1
187.11284	2.4
187.14813	2.8
191.14281	3.8
193.12218	2.7
195.11716	4.6
197.13242	5.6
199.14696	2.1
201.12750	4.2
209.13211	4.3
211.13039	2.2
211.14824	4.6
213.16388	15.3
219.13760	4.5
223.14856	3.1
225.16359	12.0
237.16309	3.7
255.17450	2.2
259.15399	5.2
267.15924	3.5
279.21021	17.1
293.17352	4.9
297.22070	100.0
298.22351	4.3
309.09558	2.2
315.23044	13.7
333.23941	2.5
339.23145	2.1
349.20911	2.4
361.02094	2.1
385.23547	2.5
459.27197	2.9
477.28400	10.8
495.21970	5.7
495.29034	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	495.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.05503	19.2
57.03428	10.0
57.07070	0.7
59.04992	0.8
65.03928	1.8
67.05495	26.0
69.03417	5.2
69.07057	8.9
69.27360	6.4
71.04980	6.7
72.02962	0.5
73.83273	0.5
77.03896	0.7
79.05481	27.8
81.03405	74.2
81.07042	33.8
82.03697	0.7
83.04972	17.1
83.08203	0.5
83.08604	26.8
85.02893	36.5
85.06534	2.9
87.04446	0.6
91.05466	37.8
93.07030	18.6
95.04956	30.6
95.08585	11.8
95.09147	0.8
97.02867	3.2
97.06511	5.6
97.10159	4.4
99.08092	1.1
101.68335	0.5
103.05433	0.7
105.07014	27.4
107.04934	7.4
107.08572	8.7
109.06504	6.3
109.10133	4.7
111.04433	2.9
111.08060	12.2
113.05988	3.8
115.05427	1.5
116.06203	0.8
117.06998	2.4
119.04933	0.7
119.08565	22.6
121.06514	1.4
121.10134	11.6
123.08063	4.4
123.11674	2.6
125.09612	3.6
127.07551	0.9
128.06248	0.7
129.06989	13.5
131.08556	12.8
131.89107	0.6
133.06430	2.7
133.10106	12.1
135.08034	1.7
135.11668	1.6
137.09587	1.9
141.06975	0.6
142.07747	2.9
142.39247	0.5
145.10088	2.1
147.08005	3.8
147.11664	16.8
149.09616	7.4
149.13356	0.6
151.11107	0.5
157.10106	14.7
161.09714	0.6
163.11121	1.0
165.09093	0.6
165.12746	4.1
171.11713	0.7
175.11157	17.0
185.13254	0.9
189.11182	1.2
193.12212	59.7
194.12552	0.7
211.13257	82.3
212.13591	1.9
219.13881	0.7
249.14973	1.1
261.21677	0.5
267.15872	11.8
285.16916	4.6
349.21375	0.9
359.22070	1.2
367.22601	1.2
385.23932	2.8
403.24960	1.0
451.26630	1.3
459.27405	5.4
477.28293	8.2
478.29083	0.7
495.29465	100.0
496.29858	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	495.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35815	1.1
53.03930	2.9
55.01846	3.7
55.05257	1.6
55.05499	21.6
57.03426	14.8
57.07055	2.3
57.56214	1.2
59.04976	1.9
65.03917	4.7
67.05492	32.9
69.03411	9.6
69.07048	15.2
69.48095	2.4
69.48492	9.9
71.04981	10.0
79.05478	33.5
81.03403	75.1
81.06567	2.3
81.07040	41.1
83.04964	16.9
83.08603	31.1
85.02888	41.7
85.06524	5.6
87.04458	1.3
91.05463	41.0
93.07020	25.8
95.04952	31.6
95.08588	20.7
96.05362	1.3
97.02882	7.1
97.06519	10.8
97.10159	7.3
99.04426	2.6
99.08083	3.2
100.03895	1.2
100.11234	2.1
105.07009	33.1
107.04923	6.4
107.08576	14.4
107.84952	1.1
109.02842	5.7
109.06502	9.5
109.10126	10.9
111.04416	6.0
111.08074	13.0
111.11684	1.5
113.05968	3.0
113.09554	1.7
115.05421	3.0
117.06974	3.6
119.04866	2.0
119.08561	24.3
121.02843	93.9
121.06509	4.1
121.10125	16.2
123.04384	1.5
123.08057	4.7
123.11697	4.8
125.09621	5.0
127.03911	3.6
127.07550	1.4
129.06976	13.7
131.08551	17.1
133.06488	5.1
133.10104	14.0
135.04391	1.4
135.08061	1.8
135.11676	2.4
137.05983	1.2
137.09576	3.9
139.03902	9.5
139.11136	1.2
142.07750	4.5
143.08527	1.7
145.10136	5.4
146.19807	1.3
147.04384	8.7
147.08044	4.9
147.11650	18.3
149.09592	8.7
149.13177	1.9
151.03947	1.3
151.07564	1.5
151.11078	1.8
153.12720	1.5
157.10107	15.3
159.11644	2.3
161.09621	1.2
163.03877	2.8
163.11182	3.3
165.09106	3.5
165.12714	5.6
168.13901	1.3
171.11668	2.0
173.13185	2.5
175.11153	17.9
177.05424	4.1
177.16370	4.9
181.12100	1.2
193.12209	56.5
194.12535	1.8
195.17410	5.2
199.14771	1.4
211.13245	78.8
212.13620	2.2
213.18475	3.7
219.13861	1.9
249.14812	1.3
259.15454	1.7
265.07016	8.6
267.15887	13.7
269.07547	1.2
283.08029	11.0
285.16965	6.0
297.22073	1.4
315.19315	1.3
315.23001	1.5
333.20514	2.4
333.24176	3.2
359.22211	1.3
367.22781	1.3
385.23569	3.8
403.24512	1.2
451.26804	1.4
459.27386	6.6
477.28409	10.1
495.29471	100.0
496.29617	4.6
508.69745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01865	4.1
55.05493	3.6
57.03434	10.2
57.07069	10.5
59.05003	6.8
60.17815	0.9
61.02920	11.5
67.05499	13.7
69.03068	1.6
69.03423	26.2
69.07066	10.1
69.34836	9.5
70.06593	1.1
71.01334	0.9
71.04988	7.8
71.08643	1.0
73.02911	5.5
79.05480	2.4
81.03415	13.1
81.07054	6.0
83.04965	2.1
83.08611	4.1
85.02899	100.0
85.06545	8.6
87.04458	3.4
89.27969	0.8
91.03940	3.4
91.05475	2.2
93.07030	5.2
95.04932	5.8
95.08598	49.9
97.02881	35.4
97.06509	4.1
97.10125	1.0
99.04461	6.6
99.08089	9.2
101.02380	1.0
103.03886	0.9
105.07059	2.2
107.08595	7.0
108.24254	0.9
109.02874	11.0
109.06508	11.5
109.10146	15.6
111.04459	1.7
111.08086	5.8
111.11708	1.5
113.09634	76.3
115.03918	3.4
119.08593	1.8
121.02859	1.1
121.06481	2.6
121.10113	1.2
123.04436	1.5
125.02332	1.3
127.03908	22.1
127.11180	18.2
129.05452	1.7
133.04961	6.0
135.08044	1.2
135.11664	9.8
137.09633	5.6
137.13243	4.9
139.03879	1.3
145.04948	31.3
145.10089	1.3
151.07574	1.3
153.12733	55.1
155.14284	15.6
159.11635	1.9
163.03912	1.0
163.06007	7.7
165.09091	3.5
169.12186	1.7
171.13789	54.9
177.05525	1.2
177.12717	4.6
179.05542	7.2
179.06992	1.6
181.12358	1.1
193.50864	0.9
195.13708	4.4
213.14828	14.2
249.14919	1.8
261.14905	1.0
267.15781	2.2
279.15930	3.0
297.16980	3.2
333.19058	5.7
495.24905	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08675	1.8
53.03936	4.4
55.01866	4.6
55.05500	16.6
57.03408	2.3
57.07057	5.2
59.16455	1.5
65.03930	3.6
67.05154	3.0
67.05490	33.5
69.07053	21.3
69.63789	4.0
69.64196	10.3
71.04977	4.3
79.05480	23.1
81.03401	5.2
81.07041	89.6
83.04977	4.2
83.08595	11.9
85.02898	2.5
85.06539	10.1
91.05460	30.8
92.31680	2.0
93.07024	67.9
93.79408	1.5
95.04960	8.4
95.08590	80.5
97.02905	1.9
97.06519	10.3
97.10154	4.8
98.06034	1.6
99.08087	8.7
100.39027	1.7
105.06290	3.2
105.07009	79.1
107.08575	100.0
109.06488	5.5
109.10136	43.6
111.08068	27.8
112.08350	1.6
113.09645	2.0
117.06984	21.2
119.08557	48.8
121.06493	6.3
121.10121	59.7
123.08025	4.4
123.11687	47.2
125.09596	5.9
125.13265	3.3
128.06206	6.1
129.06976	17.4
131.08546	53.7
131.71034	1.8
132.09311	3.9
133.10109	53.5
135.08060	2.2
135.11661	36.3
137.13249	11.4
139.11108	2.0
142.07764	7.1
143.08537	34.6
144.09293	2.7
145.10100	70.4
146.10736	2.6
147.08073	4.0
147.11662	42.1
149.09592	5.2
149.13232	36.3
151.11102	3.8
151.14767	4.9
153.12746	9.2
155.08540	9.8
156.09279	2.8
157.10107	45.5
158.10783	2.3
159.08080	3.0
159.11667	54.7
161.09604	5.9
161.13228	38.9
163.11142	5.9
163.14795	20.1
165.10719	1.5
165.12740	6.2
165.16345	2.5
167.14244	11.1
169.10072	12.2
170.10789	2.7
171.11650	39.4
172.12033	2.0
173.09547	3.5
173.13216	32.1
175.11148	7.3
175.14799	19.0
177.09050	2.5
177.12758	4.8
177.16325	7.8
179.14330	10.0
181.10127	4.5
183.11659	12.0
185.09596	3.5
185.13229	25.5
187.11195	4.6
187.14769	26.6
189.12770	5.3
189.16292	10.1
191.10649	3.8
191.14262	4.5
191.17915	4.0
193.12244	5.7
193.15860	4.5
195.11690	3.5
195.17441	2.0
197.13260	10.0
199.11160	3.1
199.14790	32.8
201.12714	4.3
201.16338	10.6
203.10681	5.4
203.14279	5.8
203.18004	4.7
205.12259	5.9
205.15865	4.6
207.13840	3.5
209.11693	6.0
209.13376	2.1
211.14784	5.2
213.12724	1.8
213.16385	6.9
215.14326	3.3
215.17946	4.7
217.12178	11.4
217.15840	5.7
219.13756	4.7
225.16354	5.6
227.14374	3.8
227.17949	4.5
229.12172	3.0
229.19452	2.8
231.13773	16.4
233.15334	8.8
239.14226	1.9
239.17914	4.7
243.13843	3.0
245.15363	16.8
247.17003	2.4
249.14899	3.8
253.19421	3.9
259.16913	2.4
263.16483	5.4
269.22678	1.9
271.17093	2.3
279.21136	3.5
281.22479	3.6
307.24313	2.2
309.25671	2.7
313.21576	2.2
325.21646	3.9
325.25134	2.9
335.27338	15.6
337.28955	3.3
343.22495	2.3
345.25943	2.4
353.24811	2.2
353.28339	60.9
355.25983	4.1
355.29861	5.2
363.26929	8.1
371.29440	33.9
373.26956	2.1
381.27798	76.4
382.28113	2.7
399.28879	88.8
417.29871	37.5
455.54388	1.8
476.27179	1.7
494.27872	5.1
494.34531	22.7
495.29187	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	494.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
56.05013	0.5
57.07040	0.5
58.27735	0.3
59.07383	0.3
60.07870	0.4
60.08155	5.6
61.02895	0.3
67.05480	1.0
69.07055	0.7
69.43787	0.3
69.45975	2.6
70.06586	0.3
71.07368	2.8
72.76228	0.3
79.05492	1.3
81.07030	1.7
83.04950	0.4
83.08606	0.7
86.09695	28.4
88.07607	0.4
91.05452	1.0
93.07034	1.5
95.04950	0.3
95.08595	1.5
97.10162	0.4
98.98447	2.0
104.10721	2.8
105.07013	1.0
107.08563	1.0
109.10133	0.8
119.08527	0.5
121.10124	0.7
124.99992	17.8
131.08578	0.7
133.10101	1.1
135.11668	0.7
145.10046	0.4
147.11659	0.3
149.02341	0.7
149.13321	0.3
157.10168	0.3
159.11617	0.4
163.14774	0.3
168.26440	0.3
169.10109	0.3
171.11713	0.3
175.11133	0.3
184.07318	100.0
185.07660	0.7
185.76485	0.3
193.04921	0.9
237.07516	0.9
284.29495	0.8
476.31424	1.4
494.32953	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	494.3235
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.25673	0.3
55.05504	2.3
56.05021	1.1
57.03424	0.7
57.07050	0.9
58.06599	0.9
60.08154	16.6
67.05491	1.9
69.03436	0.3
69.07056	3.3
70.06593	0.3
71.07359	6.2
71.08624	0.3
79.05477	1.6
81.07047	2.7
83.04944	0.3
83.08606	1.5
85.06516	0.4
86.09689	49.1
87.10033	0.4
88.07589	0.4
91.05463	0.5
93.07033	1.7
95.04983	0.3
95.08585	2.1
97.06497	0.3
97.10150	0.8
98.98447	3.1
104.10725	100.0
105.07008	0.9
105.11055	0.3
107.08575	1.5
109.06517	0.3
109.10108	1.0
111.08027	0.5
111.11703	0.4
115.07555	0.2
119.08571	1.1
121.10092	1.3
123.11657	0.4
124.99982	24.6
131.08516	0.6
133.10115	0.9
135.11679	0.8
143.00964	0.4
145.10080	0.4
147.11678	0.4
149.02388	0.5
163.01552	0.7
163.14754	0.3
170.45029	0.3
171.11676	0.3
181.02605	0.3
184.07307	94.4
185.07616	0.4
201.16373	0.3
202.81830	0.3
225.89067	0.3
230.93253	0.2
237.07434	0.3
258.10938	1.0
274.47528	0.3
284.29358	0.4
310.36163	0.3
311.25775	1.1
353.24713	0.3
396.87726	0.3
413.34201	0.4
417.23489	0.5
433.27078	0.3
476.31271	9.5
494.32321	43.8
495.32587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.6
55.05498	9.8
57.03417	2.0
57.07064	1.6
65.03936	1.8
67.05499	17.3
69.03421	1.6
69.07056	7.8
70.12119	2.6
70.12512	2.3
71.04987	2.0
78.77850	1.0
79.05468	16.6
81.03408	5.8
81.06569	2.2
81.07044	39.2
82.07375	1.3
83.04971	3.8
83.08604	4.8
85.02915	2.8
85.06527	1.7
91.05465	18.0
93.07028	32.2
95.04966	3.6
95.08592	35.8
96.05261	1.2
97.06523	5.6
97.10152	1.6
105.07012	46.7
107.07853	2.3
107.08580	44.4
109.06499	4.6
109.10141	29.8
111.08066	10.3
115.05441	2.0
117.07001	9.2
119.08566	33.5
121.06517	4.5
121.10125	53.6
122.10426	1.8
123.08041	4.6
123.11682	12.1
125.09630	2.7
128.06218	3.5
129.06998	16.4
130.07764	1.8
131.08549	40.2
131.09503	2.3
133.06509	1.9
133.10107	34.0
133.11067	2.2
135.08049	1.8
135.11664	24.4
136.11943	1.4
137.09630	1.6
137.13228	6.4
139.03801	1.6
139.07559	1.1
141.06979	2.5
142.07753	9.9
143.08539	35.3
144.09293	1.5
145.10100	41.1
147.08066	7.2
147.11665	31.7
147.12782	2.3
149.09581	4.5
149.13220	9.9
151.11198	2.3
151.14836	2.1
153.09062	2.3
155.08527	13.9
156.09325	4.5
156.23492	1.1
157.10104	55.4
158.10706	1.4
159.08070	1.6
159.11667	33.0
161.09619	7.5
161.13210	14.9
163.11227	7.0
163.14796	4.3
164.11462	1.3
165.06923	1.4
165.09111	2.5
165.12810	1.8
167.08525	1.8
167.10663	8.3
168.09410	1.3
169.10103	11.4
170.10883	3.4
171.11661	37.9
171.13126	2.3
173.09650	4.9
173.13232	21.2
175.11224	7.9
175.14813	6.3
177.09079	1.6
177.12727	4.4
179.10651	4.0
181.10185	4.3
181.12206	2.5
183.11678	9.5
185.09659	3.2
185.13239	37.4
186.13963	1.3
187.11180	8.4
187.14787	13.9
189.12781	7.7
189.16342	1.6
191.10654	4.1
191.14287	3.1
193.10448	1.7
193.12213	8.2
194.12605	2.6
195.10130	1.8
195.11687	5.2
195.13716	1.9
197.13257	12.6
199.11104	5.4
199.14792	30.1
199.16554	1.9
201.09088	1.3
201.12689	5.6
201.16330	5.7
203.10724	5.5
203.14317	7.9
205.10219	1.3
205.12227	5.1
205.15773	1.7
207.11745	1.5
207.13741	2.8
209.11581	2.6
209.13309	5.5
209.15120	1.4
211.11313	2.0
211.13141	2.7
211.14854	4.8
212.13547	1.5
213.12733	11.9
213.16376	3.5
215.14319	3.7
217.12189	8.2
217.15852	5.1
219.11777	1.2
219.13753	2.6
221.13348	1.9
221.15257	1.7
223.14821	4.6
224.15463	1.2
225.12749	2.8
225.16292	5.1
227.14320	3.5
229.12238	3.5
231.13750	12.3
233.15352	2.4
237.16405	2.9
239.14340	1.4
239.17938	1.6
243.13786	8.6
245.15382	5.4
247.14853	1.4
249.16727	1.6
251.17818	5.3
253.15999	1.2
253.19426	2.0
255.13853	1.6
257.15311	2.3
263.16406	2.9
267.16092	1.3
271.16846	1.2
277.19537	3.3
279.21014	16.6
281.22641	3.3
289.19476	4.9
297.18707	2.1
297.22073	17.6
307.20505	16.9
307.24170	7.5
309.25949	1.5
317.22501	4.6
323.19846	1.9
325.21570	30.5
325.25229	6.4
327.26779	4.9
335.23685	22.1
337.24850	2.4
343.22629	53.5
343.94806	1.2
344.22986	1.3
345.22287	1.5
353.24695	100.0
354.24988	3.9
355.26227	11.4
363.23123	18.0
371.25729	64.1
372.26135	1.5
373.23352	1.2
373.27448	4.7
381.24167	53.0
382.24387	2.3
399.25244	49.6
400.25659	1.3
417.26498	7.3
476.26590	1.6
494.31073	20.0
495.29153	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.01847	2.5
55.05489	2.5
57.03425	3.7
60.03894	0.7
61.02913	5.8
67.05500	5.2
69.03421	14.0
69.07059	2.4
69.80284	3.9
71.04976	2.9
73.02897	2.6
79.05485	8.4
80.05831	0.7
81.03409	9.0
81.07047	7.6
82.07372	0.9
83.04967	2.4
85.02893	64.5
85.06527	1.3
87.04417	1.6
89.03909	4.0
91.03934	2.9
91.05471	6.4
93.07024	25.4
95.04955	3.3
95.08595	7.4
97.02879	16.6
97.06503	1.7
99.04436	7.9
103.03922	0.9
103.05419	1.0
105.03327	1.0
105.07036	4.0
107.08581	26.2
108.08874	1.1
109.02882	7.8
109.06484	2.1
109.10155	3.9
111.04442	1.5
115.03905	0.8
117.03371	10.5
117.05455	0.9
119.04935	1.1
119.08524	4.0
119.79903	0.8
121.02823	3.2
121.06481	3.3
121.10121	9.1
123.04465	1.4
123.08044	1.0
123.11735	1.2
124.07594	2.0
125.05975	0.9
125.09604	2.1
126.05476	1.3
127.03902	17.1
127.07525	0.7
129.05438	1.8
131.04916	1.6
131.08517	2.1
133.06477	0.8
133.10135	2.0
134.03601	0.7
135.04335	1.0
135.08061	1.3
135.11670	54.3
137.05907	2.1
137.09618	3.6
139.11156	1.1
141.43825	0.8
145.02835	36.8
145.04924	25.7
145.06142	1.0
145.10085	2.3
146.03157	1.1
147.04378	8.7
147.11684	2.6
149.05977	4.6
149.09612	4.6
149.13208	0.7
151.11197	1.1
153.01765	0.9
153.12721	21.3
153.13934	1.7
161.09634	1.2
163.03880	1.4
163.05980	11.4
163.11140	4.0
165.06987	1.3
165.09053	2.9
165.12726	1.5
167.06985	1.6
167.10616	2.2
173.13242	0.8
177.05443	100.0
178.05858	1.5
179.48833	0.7
181.12189	1.1
183.10129	0.8
183.83479	0.7
185.69867	0.7
187.11133	0.8
191.10736	1.1
193.12120	0.9
195.06502	2.2
207.02769	0.8
211.16846	1.5
212.61545	0.7
227.12694	1.9
261.14908	1.9
279.15964	1.1
283.15497	0.8
311.14859	2.0
321.09756	3.8
325.11353	1.3
332.27963	2.0
338.12704	1.0
338.87924	0.9
339.10712	9.4
353.15433	0.9
373.34244	0.7
406.38132	0.8
494.32721	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
55.01868	0.8
55.05509	2.4
57.03428	11.3
57.07063	0.7
59.04995	0.9
60.04519	0.9
61.02912	2.0
64.57674	0.5
67.05495	2.0
69.03412	3.0
69.07054	12.2
70.10463	0.4
70.59220	1.7
70.59563	0.6
71.01355	0.8
71.04983	72.0
73.02902	3.2
75.04478	5.7
79.05459	0.9
81.03405	1.7
81.07046	4.5
83.04971	14.3
85.02892	100.0
86.03255	0.6
87.04465	3.0
89.03919	0.5
91.05463	0.6
93.07042	1.0
95.04950	1.9
95.08584	1.4
97.02871	5.3
97.06493	0.7
99.04434	2.3
101.05992	1.3
103.03916	1.2
105.06996	0.6
107.08537	1.0
109.02872	1.2
109.06522	0.8
109.10130	2.0
111.04409	6.6
119.08535	0.7
121.06493	0.5
121.10082	0.9
123.11692	9.0
123.82603	0.5
127.03889	3.6
129.05461	50.7
134.03616	0.5
135.07982	0.7
137.09625	0.6
145.02788	2.2
145.04961	3.0
146.08047	0.8
147.06503	25.7
151.11162	17.5
155.81145	0.5
161.13101	0.5
162.07587	0.9
164.09187	3.5
165.09061	1.2
169.12195	0.6
174.65990	0.5
177.04308	0.5
177.05472	5.4
178.05716	1.0
180.08586	1.5
201.09227	0.6
209.11627	0.6
220.24135	0.5
225.07451	0.7
232.38252	0.5
255.08475	1.9
273.09552	1.1
297.16913	11.2
309.11536	0.7
326.14145	1.0
494.27765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01873	1.2
55.05508	2.1
57.81280	0.7
67.05491	13.1
67.05824	1.1
69.03426	5.2
69.07051	1.3
69.75132	4.6
71.04977	1.8
79.05496	2.0
80.89145	0.6
81.03400	13.5
81.07044	9.0
83.04996	1.5
85.02891	4.4
91.05483	1.9
93.07034	3.4
95.04944	2.0
95.08598	7.0
97.02869	3.8
98.21445	0.8
99.04446	4.8
99.08020	0.8
103.03929	1.0
105.06976	1.3
107.08591	3.7
109.02863	15.9
109.06499	2.0
109.10139	38.6
111.04437	0.7
114.00835	0.8
119.08574	3.4
121.10121	2.5
125.05993	2.0
127.03902	9.1
133.10085	0.9
135.08025	2.0
137.06032	1.7
137.09592	100.0
138.09932	1.5
145.02921	0.9
145.04985	1.4
147.09160	2.1
155.10632	7.6
163.11159	1.0
165.09088	93.0
166.09375	2.1
177.05457	1.6
183.10165	7.8
187.08600	0.8
191.08116	8.6
192.11487	0.7
201.11200	12.1
216.07637	1.0
221.42406	0.7
263.13397	0.7
278.08688	0.8
291.12170	9.5
295.23343	0.6
296.34061	0.8
297.13297	4.1
307.12878	2.7
309.13260	51.6
310.13550	1.9
327.14355	19.4
328.14691	1.2
345.15308	4.0
353.15631	0.9
360.09491	0.7
378.87720	0.9
441.17303	3.0
449.41281	0.8
450.18506	0.9
451.16974	2.3
494.17062	9.3
495.18631	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01853	1.5
55.05498	4.3
57.03424	1.8
57.95102	0.6
59.04984	1.8
60.04517	4.2
61.02907	0.9
62.37006	0.7
66.82247	0.7
67.05489	3.4
69.03418	6.1
69.07043	3.1
71.04980	13.6
71.35770	0.8
73.02901	1.2
73.06544	3.8
74.06081	0.8
79.05485	6.9
81.03398	8.9
81.07046	22.1
83.04970	1.6
85.02890	26.5
86.67783	0.8
89.03902	3.7
91.03983	0.8
91.05473	4.6
91.81377	0.7
93.06463	1.3
93.07028	22.2
95.04958	3.0
95.08572	5.5
97.02888	8.1
97.06494	2.7
98.20778	1.8
99.04441	11.8
103.03925	33.9
105.07030	4.5
106.96367	0.7
107.04933	1.0
107.08578	24.1
109.02876	6.5
109.06487	2.0
109.10117	4.7
110.77298	0.6
111.04436	1.1
111.08062	1.6
115.05461	0.6
115.07578	1.4
117.02580	1.2
117.03358	9.3
117.06947	0.9
119.04913	0.9
119.08556	2.7
121.06483	2.3
121.10136	5.6
123.04393	0.9
123.08042	1.2
123.11721	1.1
127.03901	35.7
131.04877	0.9
131.08560	1.3
133.10127	1.9
135.04419	2.0
135.08063	3.9
135.10661	1.4
135.11670	24.9
135.12691	1.4
137.09604	3.7
138.05492	1.0
145.02831	25.3
145.04924	24.6
145.10092	4.4
146.03183	0.9
147.04384	5.0
147.11667	3.3
149.06004	3.6
149.09534	2.5
153.12721	100.0
156.10202	6.9
161.13121	0.7
163.03870	1.5
163.06003	33.8
163.07475	2.3
163.11162	7.2
165.09122	3.2
165.12668	1.6
167.10670	1.3
173.09549	1.0
177.05446	56.3
178.05780	1.0
181.12158	1.4
182.77342	0.8
186.05478	1.2
187.05995	1.7
189.09206	0.8
191.10643	6.4
193.12248	0.9
205.07054	1.6
209.11694	3.0
227.12796	6.1
229.14270	1.6
240.19347	0.7
254.24841	1.0
271.08154	2.0
279.19424	1.0
289.09210	2.6
307.10193	15.9
309.13412	1.7
314.26843	1.1
316.19446	0.8
317.13699	1.9
318.15417	0.8
332.24094	1.3
332.27866	8.5
335.14725	2.2
337.86478	0.7
339.10593	0.8
353.15961	6.6
371.16907	1.4
408.63635	0.8
494.20404	2.2
494.33359	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	494.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01867	2.1
57.03428	4.2
58.74861	0.3
61.02915	7.6
69.03417	13.7
69.47516	3.4
69.47856	0.5
71.04987	1.6
73.02900	3.4
81.03417	6.0
83.01326	0.6
85.02889	100.0
87.04449	1.8
91.03936	5.5
97.02872	25.0
98.62629	0.4
99.04436	4.0
101.02373	0.7
103.03920	0.7
109.02860	8.4
115.03916	1.0
121.02842	22.2
127.03894	27.1
135.88885	0.4
145.04933	48.9
152.07127	0.5
153.05435	34.2
163.03883	0.9
163.05983	19.7
170.08081	0.5
204.08623	0.6
281.74957	0.4
289.09076	0.7
293.41037	0.4
304.28741	0.3
325.11160	0.9
330.16617	0.3
376.40854	0.4
399.08459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3883
Annotation	Trilocularol A
Peak:m/z	Relative Intensity
55.01851	6.9
55.05497	34.2
57.07071	43.0
60.39476	4.8
61.02891	8.3
67.05494	54.2
68.26003	5.0
68.36751	4.6
69.07053	75.8
69.62580	43.0
71.01345	6.9
71.04962	10.0
71.08618	43.0
74.67491	4.8
79.05472	37.8
81.03394	5.6
81.07043	93.7
83.04976	8.0
83.08595	27.0
85.06535	8.7
85.10171	20.9
91.05457	30.4
93.07033	55.7
94.91684	4.6
95.04965	7.4
95.08591	100.0
97.06520	5.5
97.10150	20.9
103.03915	9.5
104.77795	5.5
105.07008	52.1
107.08574	64.4
107.81440	4.7
109.06481	10.8
109.10145	47.6
111.04427	8.9
111.11682	11.8
117.07004	14.9
119.08559	35.7
121.06522	7.1
121.10121	36.3
123.11695	20.8
129.05461	8.5
129.06932	7.5
131.08548	32.2
133.10129	37.5
135.08037	8.8
135.11650	36.0
137.13228	13.0
143.08528	31.5
145.10100	58.4
147.07986	9.5
147.11693	29.7
147.81393	4.8
149.09644	8.5
149.13260	12.0
157.08635	7.8
157.10106	24.8
159.08080	13.7
159.11644	35.1
161.09564	12.0
161.13214	13.9
163.14792	11.7
169.10098	13.9
171.08052	19.1
171.11688	10.9
173.09674	5.8
173.13229	14.8
175.11221	9.3
175.14761	7.8
177.16422	6.4
183.11665	17.6
185.13240	17.8
187.14796	10.8
191.10500	6.1
197.13280	13.3
198.77161	5.3
199.11082	7.5
199.14760	17.1
201.12720	6.1
201.16383	8.8
203.10626	9.8
203.13983	5.5
205.12239	10.7
207.11301	5.3
211.11223	5.1
211.14828	11.1
213.16272	7.0
215.14357	5.6
217.12134	7.1
221.22586	5.8
225.12840	6.5
225.16493	7.6
243.13683	5.7
251.04659	11.0
252.05074	9.9
257.15515	5.9
299.19949	12.1
341.32013	22.6
355.33490	10.8
361.30835	5.5
365.32025	13.4
379.33572	7.6
383.32925	16.0
397.34683	6.3
401.33896	8.3
407.33057	21.9
412.83258	6.0
415.35556	9.3
419.35245	12.1
420.23630	9.0
425.34259	47.0
427.35745	15.2
439.35510	71.6
443.34952	16.6
457.36740	99.8
461.36011	15.9
475.37692	38.0
493.38895	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	493.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.4
53.03926	5.1
54.19992	1.0
55.01851	4.1
55.05503	19.0
57.03424	11.5
57.07063	2.4
65.03912	2.7
67.05495	60.3
68.05804	1.4
69.03411	2.7
69.07059	19.2
71.04974	4.1
73.06572	1.1
77.03898	1.8
79.05479	61.6
81.03399	9.4
81.07043	68.2
82.07377	3.2
83.04973	13.5
83.08600	12.7
84.50677	1.1
85.02921	1.1
85.06517	4.6
91.05467	44.1
92.05799	2.1
93.07028	74.2
94.07382	2.8
95.04956	21.3
95.08591	29.1
96.08910	2.8
97.06510	8.8
97.10145	3.9
98.20683	1.9
99.08080	2.0
103.05478	1.5
105.04490	1.7
105.07014	39.4
106.07348	3.9
107.04904	4.9
107.08575	31.0
108.08904	5.1
109.06504	5.1
109.10149	9.8
111.04461	1.3
111.07410	1.2
111.08074	6.5
115.05447	2.2
117.06980	11.1
119.08554	22.3
120.08887	2.1
121.06480	4.1
121.10117	17.9
123.04472	1.4
123.08054	4.7
123.11668	3.5
125.09570	3.3
127.07555	1.7
128.06190	2.7
129.06979	10.4
131.08533	15.2
132.08926	2.3
133.10110	15.5
134.10451	2.5
135.08064	1.5
135.11716	7.9
136.12030	1.5
137.09618	1.5
137.13264	1.7
141.06900	1.7
143.08539	9.6
144.08865	1.7
145.10107	11.3
146.10428	3.4
147.08025	2.7
147.11667	28.0
148.12010	5.3
149.13245	18.7
150.13593	2.0
151.11176	2.2
153.12650	1.7
155.08563	2.3
156.09018	2.0
157.10104	5.4
158.10512	3.2
159.11658	13.0
160.12030	4.0
161.09587	3.0
161.13234	11.4
162.13504	2.0
163.11148	3.7
163.14777	1.7
165.12659	1.9
169.10071	1.7
170.10509	1.6
171.11658	24.3
172.12016	3.3
173.13266	2.7
174.13620	2.3
175.11162	1.7
175.14844	1.5
177.12732	5.7
183.11688	1.8
185.09648	1.1
185.13225	2.5
186.13533	1.6
187.14803	2.5
188.15135	1.6
189.12750	9.1
191.14407	1.3
195.11995	1.3
195.13718	6.2
197.13280	2.0
198.13486	1.7
199.14789	1.5
200.15135	1.7
207.13754	21.5
211.13185	1.4
215.14439	1.7
221.13148	1.4
225.14784	3.6
227.12729	2.9
232.14095	1.5
263.16171	1.3
269.17444	39.0
270.17709	1.2
281.17444	39.6
334.26157	2.0
352.27179	6.8
370.28177	5.3
379.26102	1.1
380.26563	12.1
397.27155	2.1
398.27695	11.4
416.28574	3.1
435.85654	1.3
438.41678	1.3
459.27118	3.3
475.30496	100.0
476.30756	3.9
493.27762	3.6
493.34210	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2787
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03939	3.9
55.01862	9.4
55.05502	26.7
57.03430	8.9
57.07071	2.2
59.04977	2.1
65.03927	2.6
67.05493	42.9
69.03414	4.9
69.07053	10.4
69.95060	4.9
71.01353	1.6
71.04977	6.4
77.03903	0.9
79.05479	34.8
81.03407	45.1
81.07042	36.9
83.01318	4.2
83.04967	19.1
83.08605	21.9
84.35132	0.8
85.02890	15.7
85.06529	3.4
91.05464	34.1
93.07027	33.1
93.07619	1.6
95.04955	29.4
95.08586	17.8
97.02338	0.8
97.02859	4.8
97.06503	7.3
97.10146	12.1
98.07324	1.1
99.04455	2.5
99.08067	2.3
103.05444	1.9
105.07007	26.5
107.04936	18.1
107.08582	20.4
109.02878	1.3
109.06504	7.8
109.10140	13.9
111.04420	7.1
111.08062	8.6
113.06004	1.6
115.05412	1.8
117.06985	10.1
119.03059	0.8
119.04939	1.6
119.08561	21.4
121.02853	5.3
121.06493	6.6
121.10110	11.9
123.04415	3.7
123.08038	5.4
123.11699	2.7
125.05941	2.0
125.09595	7.1
127.07580	0.9
129.06979	11.3
130.07751	1.3
131.04904	2.0
131.08539	14.3
133.06473	4.2
133.10107	10.1
135.04390	4.3
135.08058	3.8
135.11659	11.1
137.05943	1.8
137.09634	3.4
139.03876	1.3
139.07527	1.5
139.11185	1.2
142.07756	1.9
143.08551	3.2
145.06473	2.6
145.10103	12.9
147.04382	2.4
147.08032	5.0
147.11656	10.6
149.05907	1.6
149.09561	6.9
151.03894	2.0
151.11118	1.6
153.01797	7.6
153.09062	2.1
153.12711	6.7
155.08568	2.4
157.10097	10.7
159.11688	2.9
161.09607	1.6
163.03851	1.4
163.11151	18.0
165.05461	1.2
165.09135	1.9
165.12750	2.6
169.10165	0.8
171.11644	1.4
173.09607	3.1
173.11725	2.5
173.13148	1.8
175.11168	10.1
181.12225	3.9
183.11681	2.1
185.13257	1.4
187.11090	1.8
189.11235	4.6
189.12679	0.9
191.10655	4.2
193.12204	30.0
195.10095	0.8
201.12923	1.8
201.14955	0.8
203.14360	1.0
203.37100	0.8
205.12234	1.9
209.11676	15.0
211.13245	31.5
211.15219	1.6
213.12770	0.8
217.12230	0.8
219.13760	2.3
223.13226	0.9
227.12746	12.1
229.14284	2.1
231.13777	2.1
247.13266	12.0
249.14761	4.7
251.12930	1.0
259.13351	1.5
265.14383	2.9
267.15857	10.4
283.15350	7.7
285.07495	1.2
303.08469	1.9
321.17065	3.0
337.21585	1.0
341.21002	0.9
355.22586	1.7
365.21133	2.1
383.22000	5.6
401.23059	8.4
419.24271	2.8
457.25754	2.7
457.32251	1.7
475.26904	26.2
475.33362	1.7
493.27893	100.0
494.28372	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2789
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02364	1.5
53.03933	5.4
55.01862	8.7
55.05501	25.8
57.03410	7.1
57.07068	2.0
58.11108	1.4
59.04996	1.7
59.12438	1.3
65.03904	3.0
67.05495	48.1
69.03403	5.2
69.07058	10.1
70.80210	1.4
71.04971	4.9
75.89804	1.4
79.05482	34.8
81.03407	55.0
81.07048	27.4
82.46122	1.4
83.04969	18.2
83.08609	23.0
85.02888	8.3
85.06516	2.1
86.22008	1.3
86.49052	1.6
91.04956	2.3
91.05472	28.3
93.03382	1.5
93.07025	34.3
95.04957	30.1
95.08588	23.1
97.02878	4.8
97.06524	7.3
97.10155	11.3
99.04419	3.4
99.08076	2.0
103.05433	1.5
105.07010	24.9
107.04932	18.7
107.08587	24.9
109.06495	6.1
109.10148	17.6
111.04433	9.1
111.08069	9.8
113.06003	1.8
117.05473	1.7
117.07009	11.0
119.04942	3.3
119.08562	22.4
121.02858	12.4
121.06465	8.0
121.10123	11.1
123.04440	3.2
123.08062	3.3
123.11669	1.3
125.06023	2.1
125.09611	10.3
126.66460	1.4
129.06982	11.6
130.07739	1.6
131.08559	13.3
133.06471	3.5
133.10120	8.0
135.04411	5.7
135.08047	5.5
135.11667	22.0
137.05936	2.3
137.09586	2.9
139.03835	3.6
143.08562	3.1
145.06456	3.6
145.10103	16.1
147.04361	3.0
147.08015	4.4
147.11678	6.3
149.05865	2.7
149.09628	5.5
153.01793	2.3
153.09128	2.3
153.12740	7.5
155.08566	4.0
157.10085	9.4
159.11655	1.9
163.07643	1.6
163.11157	30.4
171.11691	1.7
173.09596	2.3
173.11745	3.5
173.13258	1.9
175.11150	10.4
178.95195	1.3
181.12166	8.9
183.11668	3.6
189.11227	7.2
189.12706	1.9
191.10632	4.9
193.12204	30.2
201.12729	3.9
205.12250	2.0
209.11600	7.5
211.13225	26.7
213.12721	1.8
219.13817	4.8
223.13330	2.0
227.12733	54.5
229.12277	1.7
229.14203	7.8
231.13753	2.5
247.13287	24.1
249.14838	6.2
259.13431	2.0
265.14401	3.1
267.15854	30.1
267.18530	2.4
283.15350	14.0
321.16928	7.9
346.10867	1.4
355.22696	1.8
373.23495	2.6
383.22031	8.4
401.23376	9.1
419.24042	3.2
447.27069	1.6
457.26028	3.1
473.09366	1.8
475.26910	55.0
493.27887	100.0
494.28391	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.9
55.05494	3.8
56.12292	1.9
57.03427	2.4
60.06805	1.8
67.05491	9.2
68.62902	2.3
69.03410	8.0
71.04974	4.0
71.62766	3.4
73.02929	2.4
78.04716	2.7
79.05490	16.6
81.03412	20.0
81.07049	10.9
83.04967	4.2
85.02895	8.2
85.06506	4.3
91.05473	15.4
92.80347	2.2
93.07050	14.1
95.04959	6.7
95.08585	8.7
97.02896	4.6
97.06544	3.6
99.04425	2.4
99.08112	2.2
103.05455	7.8
105.07017	23.7
106.07333	4.1
106.53597	1.9
107.04940	17.4
107.08582	12.4
109.02890	6.3
109.06468	4.2
109.10138	4.8
111.04399	2.8
111.08063	4.4
114.51575	1.9
115.04723	2.1
115.05450	9.6
117.07013	15.4
119.04921	3.2
119.07829	2.3
119.08543	10.5
120.08853	3.9
121.02846	5.8
121.06527	4.8
121.10133	10.5
123.04391	9.9
123.08038	3.8
123.11695	2.4
124.05238	3.4
124.07575	2.5
125.05970	2.6
125.09595	4.8
127.03926	3.1
128.06227	2.6
129.06995	6.6
129.09090	5.7
131.04919	6.7
131.08565	10.3
131.80138	2.1
133.06471	20.1
133.10107	9.4
134.10437	4.6
135.04442	4.9
135.08031	4.2
135.11650	5.6
137.05933	5.6
137.09610	7.3
141.06960	2.8
144.05669	4.8
145.04898	2.7
145.05290	2.8
145.06473	30.3
145.10135	4.1
147.04372	16.1
147.08029	2.2
149.09564	2.6
151.03894	4.7
151.07513	3.0
151.11098	2.6
153.05441	6.2
155.05968	2.8
156.05693	10.3
157.06419	3.7
159.07990	13.5
161.05966	31.5
161.09572	5.3
162.09949	2.4
163.03896	7.8
163.07501	5.6
164.07059	2.2
165.09102	4.7
166.08554	3.9
167.07021	100.0
168.67244	1.9
173.05974	44.3
173.13307	3.0
174.87502	2.1
175.07571	2.7
177.05446	4.0
179.10780	2.2
181.04965	4.4
181.08499	2.4
183.45682	2.2
184.05161	4.3
187.07481	11.0
189.09091	4.7
190.06271	20.8
191.06992	16.5
191.08476	3.9
191.14392	2.4
193.08600	14.4
195.06566	2.9
202.06187	6.2
203.06955	3.4
205.08592	60.0
207.06538	6.5
207.10269	2.9
208.05304	3.8
209.08043	3.3
217.08565	31.5
219.10106	7.0
235.09535	15.1
241.10669	4.0
247.07481	5.0
247.09660	18.5
248.08179	4.9
254.05562	5.0
263.10614	4.1
264.07736	4.3
265.10721	5.8
267.06696	2.5
269.07950	11.9
271.09753	4.8
276.07925	3.9
277.08502	3.0
279.12451	5.0
281.13834	10.5
282.05432	3.8
282.08841	4.9
282.14108	17.9
283.15128	2.4
286.08365	2.7
291.12286	9.4
292.07187	2.5
299.09045	3.4
300.15289	2.1
307.09451	5.4
310.08481	2.6
315.08600	45.5
319.09592	3.3
321.13275	4.7
323.12619	5.2
329.10184	8.0
330.10922	31.8
331.12024	4.6
336.09912	2.4
337.10504	5.0
339.11984	3.3
343.11658	5.9
351.12289	13.9
368.12485	3.1
369.13419	2.9
371.14853	5.9
373.12729	3.3
383.14877	26.1
401.15924	8.0
404.14633	37.7
405.15295	2.9
406.33243	2.1
417.15320	4.8
425.15485	4.9
443.16684	6.1
457.18478	22.4
475.19653	30.0
493.18723	5.0
493.25922	2.8
501.82816	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03929	3.6
55.01866	7.4
55.05499	18.8
57.03430	9.1
57.07053	1.1
59.04976	2.7
59.81184	0.6
65.03914	2.1
67.05492	21.2
69.03400	3.1
69.07056	4.9
70.10193	3.9
71.04977	5.5
79.05476	25.9
81.03402	42.6
81.06567	1.4
81.07040	27.4
83.01330	4.2
83.04970	15.6
83.08601	18.2
85.02888	18.2
85.06522	1.6
91.05463	28.7
92.50330	0.8
93.07027	24.5
95.04352	1.1
95.04949	18.9
95.08592	12.1
97.02862	2.9
97.06518	5.5
97.10153	3.4
98.21340	0.9
99.04414	1.7
103.05446	0.8
105.07011	18.2
105.71502	0.7
107.04940	8.5
107.06980	0.7
107.08572	14.4
107.98051	0.8
109.06493	7.6
109.10126	4.3
111.04436	3.5
111.08051	6.4
113.06007	1.6
115.05402	1.5
117.07010	6.9
119.04864	0.9
119.08566	17.8
121.06460	3.2
121.10124	12.0
123.08042	6.0
123.11657	1.7
125.05957	1.2
125.09573	2.4
129.06970	6.8
131.08531	8.2
133.06430	2.0
133.10086	7.3
135.08041	1.9
135.11659	7.5
137.09570	2.9
142.07732	1.8
143.08568	1.0
145.06456	1.3
145.10101	11.4
147.04405	0.8
147.07983	2.6
147.11647	8.7
149.09590	4.9
153.12708	3.0
155.08395	0.7
157.10092	8.1
161.09630	0.9
161.13257	0.7
163.11143	19.7
165.12711	1.8
173.09578	2.3
173.13292	0.9
175.11140	8.4
175.14778	0.9
181.12186	3.2
191.10637	2.8
193.12202	34.9
209.11716	6.2
211.13249	42.3
227.12772	4.6
249.14787	1.0
267.15839	5.1
283.15268	3.7
383.22211	1.5
401.23074	2.4
455.07538	0.7
457.25903	1.2
457.33685	0.8
475.26770	6.0
493.27844	100.0
494.27930	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.05497	9.1
60.38311	1.5
67.05491	16.6
69.03394	2.8
69.07058	7.8
71.05000	1.8
78.26442	1.6
79.05480	18.7
81.03419	2.9
81.07037	31.5
83.04975	2.2
83.08604	6.8
85.06502	1.3
86.09666	1.5
91.05470	17.8
93.07029	35.9
95.04951	5.4
95.08595	41.2
97.06519	3.7
98.20718	3.4
102.61476	1.6
105.07008	29.7
107.08575	37.1
109.06517	2.7
109.10136	27.9
111.04456	1.6
111.33094	1.5
117.06997	9.2
119.08569	33.2
120.08852	1.8
120.97908	1.2
121.06432	3.1
121.10119	30.4
123.08041	3.5
123.11666	12.5
125.09615	3.7
128.06184	3.0
129.06990	11.6
131.08539	28.5
133.10114	29.7
133.22610	1.5
135.08041	2.7
135.11652	16.5
137.13252	2.2
141.06906	3.2
142.07756	3.4
143.08525	25.3
144.09340	2.3
145.10100	29.0
147.08049	1.7
147.11658	23.8
149.09612	4.0
149.13235	7.3
151.11229	2.0
153.12721	2.1
155.08537	18.1
156.09338	5.0
157.10104	36.0
158.10620	1.5
159.08017	1.8
159.11653	28.7
161.09572	2.9
161.13260	15.4
163.11198	6.9
163.14777	2.6
165.12756	4.1
167.08496	3.6
169.10121	18.9
171.11662	22.6
173.09598	4.5
173.13234	16.8
175.11203	5.5
175.14810	4.4
177.12726	3.4
179.10675	2.0
179.14168	1.8
181.10083	4.9
183.11691	11.2
184.12422	2.4
185.09608	3.2
185.13228	19.2
187.11165	5.2
187.14795	9.4
189.12732	3.4
189.16418	4.1
191.10651	2.8
191.14368	1.8
193.12173	1.6
195.11691	6.5
195.30943	1.6
197.13214	15.5
199.11162	2.3
199.14789	9.4
201.09091	3.7
201.12668	3.3
201.16324	2.3
203.10631	4.3
203.14255	3.9
205.12169	2.9
205.15717	1.7
207.11752	2.2
209.13293	8.7
211.14803	5.5
212.15265	1.6
213.12761	2.7
213.16254	7.5
215.10733	5.6
215.14325	3.1
217.12189	8.2
217.15813	3.2
219.13786	2.7
223.14835	8.4
225.12733	2.9
225.16333	10.5
226.17084	3.9
227.14584	1.7
229.12196	4.9
229.74684	2.1
231.13741	10.6
231.17270	1.8
235.14886	1.7
237.16359	4.7
239.14243	1.6
239.17802	1.8
241.15927	1.9
243.13730	8.2
245.15428	3.9
247.13226	2.6
249.14705	2.8
251.18011	8.7
255.13757	3.3
261.14777	2.9
269.15271	3.3
275.16327	2.1
279.21021	30.9
281.22662	5.8
297.18735	2.1
297.22006	21.2
299.23633	3.4
307.20483	6.9
323.19919	2.6
325.21545	72.8
325.25403	3.7
326.21893	1.7
333.25644	2.9
343.22614	100.0
351.26828	13.2
353.28171	2.6
369.27872	24.4
379.26199	17.5
397.22504	3.2
397.27313	41.7
415.28333	15.8
475.26868	2.5
492.33701	13.1
493.27591	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	19.9
57.03428	10.6
67.05474	41.6
69.07053	42.2
71.62605	10.8
71.62958	12.6
79.05491	13.2
81.07034	55.5
83.04977	10.5
88.80248	11.7
91.05473	17.6
93.07017	57.9
95.04935	19.7
95.08591	49.3
97.06499	11.1
105.07005	35.6
107.08562	62.3
109.06497	10.0
109.10144	28.9
119.08558	30.2
121.10118	24.5
131.08531	15.2
133.10107	24.6
135.11655	35.1
143.08524	11.9
145.10088	23.2
147.11642	16.3
159.11714	14.8
175.14723	10.1
180.05817	10.4
216.90388	9.7
334.13232	12.9
452.22382	10.6
492.37003	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01865	0.8
55.05496	0.7
57.03411	1.2
61.02919	1.0
64.19553	0.5
67.05468	1.3
67.59483	0.5
69.03419	5.7
69.07044	0.8
69.32419	1.4
69.32829	4.2
71.04972	0.6
73.02908	0.7
79.05491	4.7
81.03397	2.3
81.07036	2.2
81.74084	0.5
83.04978	1.3
85.02913	3.4
85.06532	0.7
87.04464	0.8
89.64141	0.5
90.97054	0.5
91.05500	2.9
93.07034	12.9
95.04942	1.4
95.08609	1.1
97.02888	2.2
97.06551	0.5
99.04430	1.1
103.05466	0.6
105.07029	2.6
105.37791	0.5
106.07764	0.5
106.29339	0.5
107.04907	0.7
107.08611	3.7
109.02847	0.8
109.06515	0.5
109.10155	1.5
111.04424	1.5
111.08090	0.8
117.06994	0.7
119.08537	1.2
121.06493	0.9
121.10127	15.6
123.04446	1.8
123.08090	0.6
123.11714	0.6
125.05922	0.5
125.09572	0.7
127.03925	1.2
129.05502	0.8
130.06474	1.2
131.04900	0.8
131.08557	1.7
132.05264	0.7
135.08057	0.7
136.08392	0.5
137.05980	0.7
137.09604	3.1
139.11174	0.7
145.02805	1.0
145.05008	0.6
146.03224	0.8
147.04391	1.0
148.20970	0.5
149.09607	10.1
151.07579	0.6
151.11241	0.8
157.07562	1.0
161.05919	1.0
163.03961	1.0
165.05455	0.6
165.09096	2.4
167.07030	1.8
167.10667	1.8
168.07326	0.9
177.05389	2.6
178.05862	1.5
183.08595	1.3
196.07594	0.8
196.09894	0.9
203.08185	2.9
210.05579	0.7
211.12286	1.6
224.07149	0.8
225.10219	1.7
226.11000	1.5
236.06812	0.7
238.10901	0.9
239.11766	27.0
240.12405	1.2
241.13185	1.2
252.06500	1.5
253.09773	0.8
264.06564	1.1
266.10492	5.3
267.11261	42.9
268.11880	2.5
271.10901	0.8
278.08066	1.8
285.12326	1.8
293.13736	0.8
295.10751	35.9
296.11060	0.9
311.14795	4.0
313.11789	52.1
314.12302	1.7
324.08704	0.6
331.12839	38.1
341.11249	4.1
416.11432	0.9
430.13214	0.6
458.11780	0.8
461.35098	0.6
476.13428	1.2
493.18134	100.0
494.18607	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	491.2995
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.02371	1.3
53.03936	7.7
55.01849	5.4
55.05257	2.2
55.05502	31.4
57.03425	15.3
57.07048	2.2
59.04986	2.0
65.03919	3.9
67.05492	69.3
69.03407	6.5
69.07056	17.9
71.04980	7.9
73.06543	2.3
77.09921	1.2
79.05479	87.2
81.03403	62.1
81.07038	66.4
83.04967	20.4
83.08599	27.5
85.02882	13.5
85.06544	3.8
91.05463	100.0
93.07025	75.0
95.04954	42.4
95.08585	33.4
97.02884	2.5
97.06512	6.7
97.10146	12.4
99.01285	1.2
99.08006	1.3
103.05454	2.1
105.04510	3.0
105.07011	61.9
107.04927	12.8
107.08575	24.8
109.06502	11.2
109.10124	10.9
111.04403	2.4
111.08067	12.9
113.05954	2.1
115.05399	4.2
117.06991	20.3
119.04904	2.8
119.08559	42.7
121.06454	7.6
121.10117	16.1
123.08038	9.5
123.11663	9.9
125.09630	5.8
127.07533	3.3
128.06213	4.2
129.06978	29.4
131.08533	17.9
133.06483	4.0
133.10100	21.1
135.11658	3.8
137.09589	2.3
141.06978	3.3
142.07724	3.0
143.08545	15.2
145.06448	1.6
145.10104	16.6
147.07965	7.8
147.11661	44.5
149.09586	5.2
149.13223	2.0
155.08533	3.4
157.10094	10.5
159.11705	2.5
161.09628	4.7
161.13225	13.4
163.11133	3.7
165.12703	2.9
169.10095	4.0
169.12241	1.8
171.08031	2.0
171.11659	29.0
173.13271	1.5
175.11188	9.1
179.14339	1.5
185.13286	2.5
187.13251	4.5
189.11191	3.2
189.12720	10.2
193.12198	35.6
203.14322	1.7
207.13750	27.5
209.13289	1.5
211.13225	27.8
213.12767	1.3
215.14252	1.4
218.37083	1.3
225.14862	3.3
227.12741	3.7
229.72670	1.3
243.15953	4.6
247.16917	1.4
249.14772	7.3
263.16531	1.6
267.15875	37.6
267.18570	2.6
277.17947	1.8
281.17435	46.7
305.17471	4.1
363.23022	3.0
381.24030	3.4
388.35611	1.5
399.25256	6.4
421.25778	2.1
455.27536	3.2
473.28860	73.4
474.29138	2.3
491.29910	67.4
492.30203	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.4
55.05501	12.9
57.03428	3.8
57.07050	4.0
61.27641	1.6
65.03935	3.1
67.05495	28.4
69.03436	2.7
69.07050	14.0
69.51721	1.8
72.69691	1.6
79.05482	31.8
80.05846	2.9
81.03405	10.3
81.07047	70.4
82.07381	2.8
83.04949	4.9
83.08607	6.9
85.06533	3.1
91.05466	37.5
92.05817	4.2
93.07030	66.4
94.07368	2.0
95.04958	11.7
95.08592	60.6
97.06531	5.9
97.10176	4.6
98.20664	2.6
105.07016	91.2
106.07343	4.3
107.04927	3.2
107.07847	3.7
107.08577	67.1
109.06507	5.0
109.10139	32.5
110.10406	1.7
111.08072	11.4
115.05434	3.0
116.40615	1.8
117.06998	20.1
119.08560	66.5
121.06484	2.9
121.10122	54.8
123.08082	4.9
123.11674	21.1
125.09693	2.9
128.06227	5.4
129.06992	18.5
131.08548	56.7
131.09505	3.9
133.10115	54.4
135.07991	3.2
135.11653	26.3
137.13240	7.4
141.06993	5.7
142.07774	10.4
143.08548	41.3
144.09216	5.7
145.10095	65.4
147.08035	5.6
147.11661	76.8
148.12021	3.7
149.09613	5.0
149.13243	26.7
151.11214	5.1
153.12744	10.6
155.08540	18.3
156.09314	5.2
157.10101	60.3
158.10664	2.7
159.08057	2.1
159.11673	59.3
161.09610	5.1
161.13237	33.3
163.11177	7.0
163.14792	15.6
165.12735	13.4
167.08574	2.9
169.10097	19.3
170.10825	3.6
171.11658	38.3
172.12402	2.3
173.09645	4.3
173.13231	35.9
175.11165	8.4
175.14769	19.7
177.12735	9.3
177.16360	3.5
179.14282	4.5
181.10115	5.3
182.10965	3.5
183.11674	17.4
185.09637	4.1
185.13225	29.4
187.11107	9.4
187.14795	19.8
189.09035	1.8
189.12669	10.7
189.16359	11.2
191.10658	5.1
191.14310	8.7
193.10326	1.7
193.12221	5.1
193.15840	2.6
195.11656	9.0
197.13219	15.0
199.11163	3.8
199.14809	21.8
201.09047	1.9
201.12732	6.9
201.16357	10.4
203.10660	5.5
203.14363	9.5
203.18001	2.5
205.12204	8.6
205.15891	2.2
207.11833	2.3
207.13730	4.6
208.14143	2.5
209.11647	4.9
209.13301	8.4
211.13133	2.9
211.14862	6.0
213.12704	4.6
213.16376	5.6
215.10670	4.9
215.14326	5.0
215.17993	2.3
217.12268	10.5
217.15878	3.1
219.13814	3.6
221.13412	3.2
223.14789	8.8
225.12897	2.4
225.16417	8.3
227.14343	3.9
227.17973	3.8
229.12276	6.6
229.15845	2.3
231.13762	20.4
233.15366	4.6
237.16397	3.5
239.17935	4.4
241.15956	2.4
243.13875	8.5
245.15369	5.7
247.13405	2.6
249.14798	5.3
251.17871	2.2
253.19643	2.7
255.13708	3.4
257.15424	2.4
261.14920	5.1
263.16113	2.1
265.19482	3.4
267.15811	2.7
268.16171	3.4
269.17596	3.6
271.16858	1.9
277.19492	4.0
279.21082	10.3
281.17432	6.4
282.17764	2.5
283.17004	3.3
295.20279	2.9
299.20276	2.7
305.22467	4.4
307.24295	2.6
323.20132	2.9
323.23712	3.2
325.21442	2.4
333.25751	19.9
335.27225	4.4
343.22760	4.4
351.22989	2.3
351.26782	51.2
353.24677	7.5
353.28586	4.0
361.25275	10.0
369.27798	27.9
371.25797	5.8
379.26263	99.3
380.26608	4.0
397.27313	100.0
398.27835	3.5
415.28391	12.2
474.29214	15.0
475.30911	9.2
492.33392	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2994
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
52.84406	1.5
53.03942	10.9
55.01846	4.5
55.05256	2.0
55.05500	33.2
57.00477	1.3
57.03422	12.8
59.04989	2.5
65.03910	5.9
65.04222	1.5
66.01205	1.3
66.21089	1.5
67.05492	65.1
69.03417	4.4
69.07057	14.5
69.97559	1.4
71.04967	5.2
73.06536	2.8
79.05478	79.9
81.03407	69.1
81.06573	3.4
81.07039	61.6
83.04968	21.7
83.08604	24.9
85.02900	15.0
85.06536	2.4
87.04474	2.1
91.05463	100.0
93.07029	61.5
95.04952	35.1
95.08029	2.6
95.08598	29.8
97.02877	3.1
97.06471	8.7
97.10133	9.8
97.99595	1.5
99.08038	2.2
105.04534	1.5
105.07010	56.5
107.04938	11.2
107.08570	21.6
109.06470	9.1
109.10137	8.4
111.08072	8.7
115.05442	3.7
117.06992	13.6
119.07816	1.3
119.08555	35.5
121.06472	5.2
121.10121	11.1
123.08015	8.0
123.11678	11.0
124.93454	1.5
125.09595	6.6
128.06219	3.2
129.06976	28.0
131.08553	16.5
133.06505	4.9
133.10104	16.1
135.11647	3.2
137.09528	1.5
142.07736	2.2
143.08551	13.9
145.06490	3.3
145.10115	13.9
147.08073	3.0
147.11664	43.8
149.09592	6.9
155.08487	3.0
157.10136	9.7
159.11688	1.6
161.09576	6.3
161.13240	10.7
163.11136	1.7
169.10085	2.1
171.11658	32.5
174.02119	1.5
175.11157	11.8
181.10101	2.3
185.13252	2.4
187.13258	4.4
189.11263	2.7
189.12717	10.5
193.12224	38.3
195.11630	1.8
207.13791	29.3
211.13240	32.9
211.15193	2.1
225.14880	3.0
227.12717	4.5
243.15845	3.6
249.14725	7.8
267.15839	30.9
281.17453	26.5
305.17545	4.7
345.22006	1.8
363.23007	3.2
381.24185	3.5
399.25339	4.6
455.27811	3.8
473.28906	72.5
475.93729	2.0
491.29953	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2997
Annotation	Caseamembrin B
Peak:m/z	Relative Intensity
51.02386	2.6
52.53241	1.6
53.03933	8.2
55.01865	8.4
55.05502	35.1
57.03424	14.4
57.07059	3.0
57.67007	1.7
59.04982	3.6
65.03927	3.1
67.05492	66.6
67.47617	1.5
69.03408	10.7
69.07057	18.1
69.57156	6.3
69.57587	7.4
71.04990	8.3
77.03909	2.5
79.05479	85.4
81.03405	70.8
81.07041	77.3
83.04962	22.9
83.08601	26.9
85.02895	14.3
85.06535	6.2
91.05464	100.0
93.07027	71.4
95.04953	48.2
95.07993	1.1
95.08588	35.7
95.09157	3.1
97.02869	3.8
97.06515	12.7
97.10153	14.4
99.08137	1.9
103.05436	3.4
105.07014	65.5
107.04941	15.2
107.08575	26.2
109.06498	12.7
109.10123	12.9
111.04456	5.3
111.08079	10.7
113.05991	1.7
115.05450	5.1
117.06987	18.8
119.04909	3.7
119.08557	40.7
119.09344	3.2
120.08920	1.9
121.06484	10.8
121.10130	14.9
123.04413	4.8
123.08064	8.3
123.11671	16.1
125.09621	8.1
128.06200	4.9
129.06975	27.3
131.04907	2.3
131.08556	18.2
131.25456	1.7
133.06485	7.5
133.10110	22.5
135.08054	6.3
135.11678	8.5
137.09587	3.1
141.06970	4.3
142.07748	2.7
143.08554	17.3
143.62759	1.8
145.06488	4.1
145.10117	20.7
147.04340	1.8
147.08014	8.5
147.11664	41.5
149.09601	6.4
151.11162	3.7
155.08537	3.1
157.06448	2.4
157.10114	14.3
159.08051	4.1
159.11705	5.6
161.05991	3.9
161.09599	6.7
161.13249	11.8
163.11130	9.1
165.09128	4.3
165.12746	2.5
167.08611	3.5
169.10118	5.6
171.08063	7.8
171.10219	2.9
171.11661	25.1
173.09587	2.7
173.13300	2.1
175.11147	8.8
176.04689	7.9
181.10060	2.2
183.11739	2.3
185.05954	4.1
185.09554	3.2
185.13222	3.6
187.07524	3.5
187.13290	7.1
189.05519	9.1
189.09140	3.3
189.11116	3.9
189.12759	11.4
190.06244	6.2
193.12207	29.7
195.08040	6.5
195.11864	1.9
197.05948	3.4
198.06784	4.3
199.07581	3.8
200.67485	1.7
201.05429	2.6
202.06262	5.2
203.06999	20.4
207.13750	30.1
211.11284	3.4
211.13188	21.2
213.05386	4.4
213.16275	2.6
214.06186	10.6
215.07066	6.7
216.07863	15.1
217.04988	43.8
217.08519	51.4
218.05217	3.3
218.09064	3.0
223.07466	2.6
224.08214	2.2
225.14880	2.6
226.06151	9.1
227.06995	14.8
227.12790	7.8
229.15872	1.9
230.05692	39.3
231.06306	10.8
231.10104	2.9
232.07265	34.7
233.07680	3.0
241.08553	55.5
242.09082	8.0
243.15884	4.1
245.08035	43.6
247.17004	2.3
249.14806	11.1
259.09616	73.3
260.10342	35.0
267.15857	41.1
269.15375	2.2
276.20126	1.8
277.18323	2.7
281.17456	31.0
287.05466	15.2
303.05206	2.2
305.17383	5.9
333.19702	1.8
345.21555	2.1
363.23080	4.1
381.24399	5.5
399.25415	8.6
403.08267	2.2
413.13693	2.4
416.12372	1.8
417.26398	3.9
421.25992	2.3
431.15079	7.9
447.14337	21.1
449.15878	5.0
455.27878	5.5
473.15848	22.6
473.28876	90.1
474.16342	3.1
474.29010	3.7
491.17007	65.0
491.30219	44.6
492.17404	9.3
507.27798	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78806	0.2
53.03929	0.4
55.05487	0.3
57.03419	0.5
67.05477	1.0
68.73708	0.3
69.03416	1.8
69.31809	3.0
77.57233	0.2
79.05469	0.3
81.03403	2.1
81.07025	0.8
83.04949	0.5
85.02892	1.8
85.06513	0.4
89.03905	1.9
91.05452	1.1
95.04950	0.4
95.08607	0.5
97.02877	0.7
99.04418	0.4
107.08559	0.4
109.02842	1.1
109.10130	2.1
111.00750	0.3
111.04420	0.4
117.03359	8.6
119.04925	2.0
119.08537	0.5
121.02883	0.3
121.10091	0.4
123.04387	0.3
127.03873	1.0
129.05435	0.4
129.06937	0.3
134.03612	0.6
135.04424	0.7
137.02344	1.8
137.09595	4.3
139.91780	0.3
143.89044	0.3
145.02824	23.9
146.03165	0.5
147.04364	2.6
148.04710	0.6
149.02312	0.5
149.05949	3.1
149.09613	0.5
155.10582	0.7
163.03816	0.6
165.01790	0.3
165.09087	3.2
175.03874	1.9
177.05441	54.0
178.05765	1.1
185.05928	0.9
186.05397	0.6
189.05446	0.4
195.06526	0.5
207.06528	3.7
213.05421	1.8
231.06506	0.9
241.04939	0.7
269.04337	0.3
287.05450	100.0
288.05807	5.0
321.09552	1.2
329.16122	0.6
339.10699	3.1
491.11655	5.7
491.18298	0.4
519.93274	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74394	0.3
65.03904	0.5
65.66506	0.3
69.03419	1.7
70.94340	0.9
71.04985	0.3
77.13583	0.3
81.03390	1.4
83.04976	0.4
85.02881	1.3
91.04957	0.5
91.05471	6.2
91.06018	0.6
96.73598	0.3
97.02901	0.6
99.04391	0.3
109.02863	0.6
111.04448	0.3
111.20464	0.3
115.89941	0.3
117.03347	0.6
119.04923	18.5
129.05460	0.5
129.55202	0.3
137.09566	0.5
145.02798	1.6
147.04384	100.0
148.04742	2.0
154.50038	0.3
165.05429	2.3
165.07597	0.6
165.09047	0.5
177.05437	5.3
182.97516	0.3
183.08592	0.5
196.75983	0.3
287.05411	3.3
291.08490	1.6
309.09564	3.7
311.11301	0.5
401.43771	0.3
482.73178	0.3
491.21124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20766	0.5
53.03936	0.5
57.03413	0.8
59.18793	0.4
63.02360	0.4
67.05485	1.1
69.03422	1.6
72.81087	0.5
81.03406	2.7
81.07053	1.1
83.04987	0.6
84.55245	0.4
85.02902	2.9
87.04482	0.5
89.03914	4.3
95.08577	0.5
97.02905	1.0
99.04421	0.8
103.05508	0.5
109.02852	1.5
109.10128	2.0
111.04427	0.7
117.03365	14.7
117.07047	0.5
119.04924	0.6
119.08599	0.4
121.02847	0.7
126.80146	0.4
127.03919	1.2
134.03604	0.9
135.04427	0.8
137.02339	0.9
137.09584	2.4
145.02829	42.1
146.03242	0.7
147.04387	2.1
147.11710	0.6
149.05978	5.9
149.09590	1.2
163.03867	0.5
165.09151	2.1
177.05455	100.0
178.05771	2.3
179.14186	0.4
186.05556	0.7
189.12669	0.5
195.06506	0.9
207.13809	0.4
213.05371	0.8
287.05472	40.2
288.05774	2.1
311.15118	0.5
321.09729	3.0
333.17102	0.5
339.10742	5.6
351.18109	0.6
465.35440	0.4
491.11575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.6
69.03419	1.2
71.53675	0.4
81.03416	1.6
85.02899	1.3
91.05470	6.6
97.02834	0.4
99.04457	0.2
103.10329	0.2
109.02846	0.6
119.04930	19.5
122.60653	0.3
122.79504	0.2
129.05495	0.4
147.04391	100.0
148.04771	1.4
165.05479	3.0
165.07605	0.5
177.05502	0.3
183.08600	0.6
191.55000	0.2
287.05536	0.6
291.08646	2.2
306.87216	0.2
309.09622	4.8
311.11273	0.3
329.12186	0.3
388.36670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.9
56.06883	0.7
62.23201	0.8
67.05492	3.5
68.99790	1.5
69.03416	8.7
69.07058	1.8
70.75172	2.6
71.04974	2.3
72.08160	0.8
73.42118	0.7
74.09713	7.6
79.05482	2.5
81.03414	3.0
81.07043	4.2
83.04967	2.8
85.02892	3.7
86.09708	1.3
91.05473	3.5
93.07027	4.8
95.04956	2.4
95.08595	3.4
97.02898	2.0
97.06506	1.0
99.04440	2.2
99.08072	0.9
103.05465	1.3
105.07003	4.2
107.08572	5.8
109.02862	2.4
109.06504	1.2
109.10136	6.4
111.04427	3.8
111.08063	1.1
115.05432	1.3
117.06998	1.5
119.04930	1.8
119.08576	3.5
121.02853	2.7
121.06517	1.2
121.10134	3.4
123.08112	0.9
125.09548	1.1
127.03912	3.0
128.06227	1.6
129.05458	4.8
131.04910	1.9
131.08563	2.2
133.10141	2.5
135.08064	1.5
135.11708	1.1
137.02356	1.3
137.05954	1.0
137.09608	5.5
141.07005	1.0
143.08546	2.2
145.02888	1.0
145.06506	2.3
145.10114	1.9
146.06055	0.9
147.04399	10.8
147.08015	2.1
147.11630	1.0
149.09644	1.3
155.10686	1.2
157.06485	1.8
157.10147	1.5
159.08096	1.9
159.11694	1.3
161.05977	4.7
161.09669	0.9
163.11150	2.5
165.09084	6.7
167.07045	5.0
167.08400	1.6
169.06502	2.2
170.07256	1.3
171.04314	1.1
171.08022	6.2
173.06018	2.2
173.09665	1.0
174.06787	1.9
175.03978	1.2
175.07452	3.6
175.11168	0.9
176.04675	10.4
177.05522	2.7
181.05022	1.9
181.06483	2.3
185.05940	5.3
185.09521	1.4
185.13260	1.1
187.07562	5.1
187.11064	1.0
189.05450	11.0
189.07156	1.4
189.09068	4.2
190.06215	8.0
191.07123	1.6
195.08015	4.3
197.06029	2.8
198.06754	5.0
199.07526	5.6
201.05525	2.3
202.06226	3.3
203.07019	13.7
203.08760	1.5
209.05952	1.1
213.05444	6.6
213.09030	4.0
214.06235	17.5
215.07011	8.3
216.07800	20.7
217.04974	53.7
217.08534	64.6
218.05595	1.0
218.09344	1.4
223.07523	6.3
224.08386	2.2
226.06178	8.0
227.06978	13.7
229.04933	1.5
229.08546	1.4
230.05711	34.2
231.06444	7.0
231.10126	1.8
232.07278	49.2
233.08020	2.9
240.07784	1.1
241.08565	51.9
242.09325	6.1
245.08064	61.2
259.09628	65.6
260.10400	28.9
287.05478	61.0
288.05872	1.2
303.04944	2.1
311.14859	1.0
327.10306	1.1
353.15723	1.0
359.09052	1.2
375.08316	1.1
383.09045	1.6
384.53354	0.8
387.08304	1.8
387.12604	1.7
389.13843	1.2
395.13037	1.2
402.10788	1.8
403.07980	2.3
403.15924	1.0
404.08765	1.4
405.13541	1.3
413.13733	2.2
416.12552	1.3
429.13348	3.1
430.14417	1.2
431.14886	8.1
445.16348	1.1
447.14343	24.6
449.15750	4.2
455.14545	1.9
461.17337	1.1
473.15851	23.9
476.13995	1.1
491.17007	100.0
492.17426	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1177
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
53.03937	0.4
55.05498	3.2
57.03425	1.1
61.02916	1.9
67.01852	0.3
67.05463	0.2
68.99792	0.3
69.03419	61.0
70.67481	0.6
71.01352	1.8
71.04985	5.5
76.95994	0.2
79.73486	0.2
79.81379	0.2
81.03431	0.3
83.04967	15.7
85.02417	0.4
85.02895	5.9
87.00838	0.3
87.04437	0.8
93.03391	0.3
98.20838	0.3
99.04442	0.5
101.06031	0.3
105.06947	0.2
107.04980	0.2
109.02847	0.3
111.00791	0.6
111.04425	17.8
121.02848	0.8
123.04414	0.3
127.03895	0.3
129.05457	37.5
130.05786	0.4
137.02327	2.6
137.09552	0.2
145.06516	0.4
149.02341	0.5
153.01804	3.1
155.62354	0.2
161.05957	0.4
163.03897	0.5
165.01816	2.1
167.06964	0.3
173.05978	0.4
183.02904	0.5
183.04340	0.3
189.07558	12.8
195.02827	0.2
201.05486	1.7
205.04749	0.2
228.04057	0.2
229.04942	3.5
247.05853	0.6
257.04382	2.6
274.04648	0.8
285.03787	1.1
287.05460	0.8
294.00241	0.2
303.04944	100.0
303.92117	0.2
304.05264	2.5
315.04919	0.4
323.49942	0.2
332.66858	0.2
345.06146	0.5
348.10529	0.2
362.51083	0.3
367.07755	0.2
395.07532	0.6
413.08618	0.8
416.66254	0.2
484.43985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.9
56.06883	0.7
62.23201	0.8
67.05492	3.5
68.99790	1.5
69.03416	8.7
69.07058	1.8
70.75172	2.6
71.04974	2.3
72.08160	0.8
73.42118	0.7
74.09713	7.6
79.05482	2.5
81.03414	3.0
81.07043	4.2
83.04967	2.8
85.02892	3.7
86.09708	1.3
91.05473	3.5
93.07027	4.8
95.04956	2.4
95.08595	3.4
97.02898	2.0
97.06506	1.0
99.04440	2.2
99.08072	0.9
103.05465	1.3
105.07003	4.2
107.08572	5.8
109.02862	2.4
109.06504	1.2
109.10136	6.4
111.04427	3.8
111.08063	1.1
115.05432	1.3
117.06998	1.5
119.04930	1.8
119.08576	3.5
121.02853	2.7
121.06517	1.2
121.10134	3.4
123.08112	0.9
125.09548	1.1
127.03912	3.0
128.06227	1.6
129.05458	4.8
131.04910	1.9
131.08563	2.2
133.10141	2.5
135.08064	1.5
135.11708	1.1
137.02356	1.3
137.05954	1.0
137.09608	5.5
141.07005	1.0
143.08546	2.2
145.02888	1.0
145.06506	2.3
145.10114	1.9
146.06055	0.9
147.04399	10.8
147.08015	2.1
147.11630	1.0
149.09644	1.3
155.10686	1.2
157.06485	1.8
157.10147	1.5
159.08096	1.9
159.11694	1.3
161.05977	4.7
161.09669	0.9
163.11150	2.5
165.09084	6.7
167.07045	5.0
167.08400	1.6
169.06502	2.2
170.07256	1.3
171.04314	1.1
171.08022	6.2
173.06018	2.2
173.09665	1.0
174.06787	1.9
175.03978	1.2
175.07452	3.6
175.11168	0.9
176.04675	10.4
177.05522	2.7
181.05022	1.9
181.06483	2.3
185.05940	5.3
185.09521	1.4
185.13260	1.1
187.07562	5.1
187.11064	1.0
189.05450	11.0
189.07156	1.4
189.09068	4.2
190.06215	8.0
191.07123	1.6
195.08015	4.3
197.06029	2.8
198.06754	5.0
199.07526	5.6
201.05525	2.3
202.06226	3.3
203.07019	13.7
203.08760	1.5
209.05952	1.1
213.05444	6.6
213.09030	4.0
214.06235	17.5
215.07011	8.3
216.07800	20.7
217.04974	53.7
217.08534	64.6
218.05595	1.0
218.09344	1.4
223.07523	6.3
224.08386	2.2
226.06178	8.0
227.06978	13.7
229.04933	1.5
229.08546	1.4
230.05711	34.2
231.06444	7.0
231.10126	1.8
232.07278	49.2
233.08020	2.9
240.07784	1.1
241.08565	51.9
242.09325	6.1
245.08064	61.2
259.09628	65.6
260.10400	28.9
287.05478	61.0
288.05872	1.2
303.04944	2.1
311.14859	1.0
327.10306	1.1
353.15723	1.0
359.09052	1.2
375.08316	1.1
383.09045	1.6
384.53354	0.8
387.08304	1.8
387.12604	1.7
389.13843	1.2
395.13037	1.2
402.10788	1.8
403.07980	2.3
403.15924	1.0
404.08765	1.4
405.13541	1.3
413.13733	2.2
416.12552	1.3
429.13348	3.1
430.14417	1.2
431.14886	8.1
445.16348	1.1
447.14343	24.6
449.15750	4.2
455.14545	1.9
461.17337	1.1
473.15851	23.9
476.13995	1.1
491.17007	100.0
492.17426	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1178
Annotation	Quercetin 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
55.05513	6.2
57.03178	1.2
57.03432	2.9
61.02922	2.4
65.03943	1.2
68.66873	0.9
69.03416	3.0
69.74203	2.9
69.74613	4.1
71.04984	55.3
75.04470	5.0
81.03370	1.0
81.07084	1.4
83.04971	26.8
84.99492	1.2
85.02894	14.7
87.04449	5.6
93.07001	1.5
99.04469	3.1
105.07001	1.5
107.08591	3.0
111.00761	1.6
111.04427	60.3
113.02306	1.3
113.05992	25.5
115.03968	5.2
117.05477	15.5
129.05466	100.0
137.02309	3.4
137.09532	1.0
141.48740	1.1
153.01811	3.6
153.05453	2.0
165.01778	2.1
167.07022	2.5
171.06500	26.9
177.05539	1.3
189.07564	56.1
190.07988	1.2
191.10660	2.7
201.05568	1.2
217.04935	2.1
217.08539	1.9
229.04913	3.9
230.05682	1.8
232.07288	2.2
241.08559	2.0
257.04410	2.7
259.09753	2.4
260.10394	1.2
285.03693	2.0
287.05472	2.5
303.04950	78.1
304.05270	1.7
353.15906	1.4
467.71793	1.5
476.23843	1.2
491.17050	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	491.1175
Annotation	Kaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
51.18660	0.2
53.03741	0.2
53.03937	2.4
55.01851	0.9
55.05490	0.3
57.03413	0.8
57.90972	0.2
61.02905	0.8
64.25848	0.2
64.28063	0.2
67.05476	0.4
67.58689	0.2
68.99775	0.5
69.03412	8.2
69.07035	0.2
69.68045	0.7
69.68473	0.6
70.03738	0.2
71.04973	1.0
73.02906	1.1
73.06534	0.2
79.05479	0.4
81.03400	12.7
81.07041	0.5
82.03741	0.2
83.04948	0.4
85.02882	4.3
89.78551	0.2
91.05453	0.2
93.07011	0.5
95.04945	0.6
95.08557	0.3
97.02874	4.2
98.20751	0.4
99.04444	1.8
103.03920	0.2
105.03373	0.3
105.06972	0.4
107.02682	0.2
107.04926	0.3
107.08562	0.6
109.02856	7.4
109.10106	0.7
111.00743	0.5
111.04399	0.3
115.03903	0.3
115.05472	0.2
119.08549	0.4
121.02848	2.4
121.06474	0.2
121.10116	0.5
123.04426	0.2
127.03892	7.4
133.02872	0.4
133.04967	0.2
133.10214	0.2
135.04311	0.2
135.08015	0.3
137.02303	0.4
137.05919	0.2
137.09602	0.7
145.04938	1.5
145.06413	0.4
145.10141	0.2
147.04379	0.8
147.11642	0.2
149.02303	1.0
150.02612	0.7
153.01810	2.8
157.06488	0.2
165.01779	1.4
165.09081	0.8
167.07010	1.4
167.10727	0.2
169.08649	0.3
173.05937	0.3
177.05397	0.4
181.04935	0.4
183.02811	0.6
185.05960	0.3
185.11539	0.2
187.05966	7.6
191.10640	0.5
205.07016	0.2
209.11777	0.2
213.05421	1.1
222.08403	0.2
227.12708	0.6
231.06429	0.5
241.04863	0.9
258.05264	1.1
259.05865	0.3
287.05435	100.0
288.05746	3.1
294.14191	0.3
329.06516	0.2
370.51404	0.2
491.18893	0.6
513.95239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.9
59.04974	2.9
67.05494	21.1
69.07055	9.7
70.06587	6.5
70.43336	2.9
70.70867	10.7
71.04980	3.3
79.05479	7.2
81.07039	18.4
88.07621	10.6
91.05453	7.7
93.07014	17.9
95.04943	4.0
95.08589	23.9
97.06516	3.3
97.10181	4.8
102.09167	7.0
102.17129	2.5
105.07039	11.4
107.08575	21.6
109.10145	17.2
110.10461	3.7
114.26867	3.3
119.08561	12.1
120.08934	3.1
121.10104	16.0
123.11761	4.1
125.09778	2.5
131.08548	4.4
133.10085	14.2
135.11682	9.4
145.10066	9.2
147.11674	8.2
151.14734	3.6
153.91129	3.5
159.11641	8.6
161.13254	5.8
163.14783	10.0
173.13252	3.9
175.14735	4.1
181.15839	11.2
184.07281	4.3
187.14781	6.4
201.16362	16.0
203.17888	11.9
213.16455	4.3
219.17470	17.4
221.15326	3.6
227.18060	3.5
227.20232	3.3
229.02129	2.7
237.18471	14.5
246.30574	2.8
250.33580	2.9
256.26312	26.6
286.32974	3.1
329.64758	3.1
383.41998	2.8
391.33463	8.5
409.34595	78.2
427.35748	31.0
444.35580	6.6
445.36746	76.0
490.36505	42.7
490.42529	100.0
491.37039	4.9
491.43594	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01863	5.1
55.05509	2.1
57.03428	9.7
58.98610	0.9
59.04986	1.6
61.02918	8.4
66.85140	0.8
67.05498	3.6
69.03066	1.8
69.03422	29.3
69.07068	2.9
69.40955	8.7
71.01347	2.7
71.04979	3.8
71.17691	1.0
73.02906	30.4
74.09710	1.2
79.05465	4.9
81.03412	9.4
81.07037	6.4
83.04977	3.3
83.08622	2.1
85.02894	59.2
87.00814	3.9
87.04463	4.7
88.43531	0.8
91.03929	1.9
91.05463	4.9
93.07018	5.8
95.04959	7.7
95.08597	5.1
97.02879	32.8
97.06491	1.4
99.04471	6.4
103.03932	1.8
103.05487	1.4
105.01851	2.6
105.07015	100.0
106.07368	1.8
107.04948	1.1
107.08584	27.2
108.08961	0.9
109.02853	7.3
109.06498	2.8
109.10152	3.8
110.10440	1.4
111.04424	2.8
111.08111	1.5
115.03913	15.7
117.03357	2.9
117.07009	1.2
119.08543	7.7
121.02868	1.6
121.06448	1.6
121.10113	5.9
122.10412	1.2
123.08050	42.0
123.11691	3.0
125.06001	2.2
125.09618	13.1
127.03896	21.1
127.04785	1.3
129.05417	1.2
129.06976	0.9
131.08559	2.5
133.04944	17.6
133.10103	3.2
135.11711	3.1
137.05942	1.8
137.09567	6.0
138.09964	1.6
139.11174	1.6
143.08539	1.4
145.02844	8.3
145.04933	22.4
145.10138	2.6
147.04387	2.3
147.11636	2.2
149.05983	1.4
149.09598	19.0
149.13333	1.1
150.07619	2.9
151.07497	3.3
159.08054	1.4
159.11650	2.4
161.13234	88.1
162.13657	1.4
163.06035	7.7
163.07285	1.6
165.09070	7.2
165.12775	2.1
167.07028	2.8
167.10678	4.2
171.11604	1.2
173.09601	1.5
173.13213	1.5
177.05450	15.2
179.03281	1.0
180.03624	1.1
181.04976	1.7
183.13817	2.5
187.11218	1.4
189.12724	4.3
191.10692	1.7
193.05019	1.6
207.13782	7.2
223.06030	2.7
223.13412	1.2
225.14816	42.7
231.13852	1.1
235.13217	4.2
237.14838	4.0
241.06960	4.9
249.14833	12.3
255.13463	1.2
257.15311	1.3
259.07999	5.8
261.14951	1.0
267.15979	2.0
275.16577	1.1
275.20123	0.8
277.09213	1.1
279.15793	1.0
283.16745	1.2
287.05417	2.8
291.15930	1.4
295.10123	1.2
315.15918	1.4
341.19418	1.0
411.00336	0.9
437.17926	3.8
455.18713	2.6
491.25989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.05262	1.0
55.05504	12.4
64.14574	0.5
65.03936	0.4
66.58953	0.4
67.05501	0.8
69.03416	1.0
71.62765	0.6
73.06541	6.5
79.05437	0.4
81.03403	0.8
81.07053	1.0
85.02896	3.0
85.06522	0.6
90.20000	0.5
91.05427	1.2
93.07030	0.7
95.08604	0.7
97.02856	1.0
97.06548	0.5
99.04494	0.5
106.29433	0.4
107.08595	0.9
109.02848	0.5
109.10123	1.3
121.02870	2.5
121.03628	0.4
121.10097	0.6
127.03873	1.8
129.06969	1.1
131.08565	1.5
137.06024	0.5
137.09607	1.2
138.09985	0.7
145.02803	0.9
145.04875	0.6
147.11671	0.6
149.02321	100.0
150.02617	0.6
152.07080	0.8
161.05975	3.1
163.03828	0.5
165.09055	1.0
166.09509	0.5
167.03380	1.9
167.07050	2.3
174.00366	0.5
175.07529	11.6
177.05406	2.4
186.55005	0.5
203.06996	14.6
221.08046	8.3
222.08411	0.5
230.08708	0.4
243.62610	0.5
275.12747	8.1
287.05569	1.2
289.24371	0.6
293.13788	59.1
294.14160	1.1
311.14822	0.6
314.19589	0.8
491.18536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92814	0.7
53.03936	0.8
55.05503	22.2
57.03429	1.4
60.04497	0.7
61.02908	0.8
63.19349	0.7
67.05484	1.5
69.03410	2.5
69.07062	0.8
70.04385	2.1
70.04821	1.8
71.04980	1.2
73.06548	7.2
81.03400	1.3
81.07052	1.4
83.04973	1.0
85.02880	3.9
85.06503	0.7
91.05419	1.4
91.07575	1.0
93.07022	1.6
95.08588	1.5
97.02870	2.2
105.07014	1.3
107.04986	0.7
107.08554	1.2
109.02873	1.2
109.10132	2.0
115.03937	0.6
119.04936	1.6
121.02840	1.4
123.08060	0.9
127.03894	1.6
133.10057	0.9
135.08081	0.7
137.09573	1.5
145.10130	0.9
147.04393	5.6
149.02319	100.0
150.02670	1.3
165.09044	1.8
167.03387	2.3
167.07005	2.7
173.06006	0.8
177.05457	2.3
181.04958	2.2
203.07010	2.1
221.08057	42.2
248.70422	0.8
287.05496	3.9
293.13794	20.0
293.17087	1.2
311.14935	0.9
311.18256	0.8
321.36960	0.7
328.14651	0.7
330.26190	0.9
351.59760	0.7
376.09338	0.7
490.29996	2.7
491.19073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.0
55.01862	7.6
55.05502	6.4
57.03426	10.3
57.82945	1.0
59.04984	2.1
59.15316	1.0
60.64229	1.1
61.02921	8.9
67.05502	5.5
68.10252	1.0
69.03414	27.4
69.07048	2.8
70.68200	2.1
70.68584	2.4
71.01347	2.2
71.04973	7.8
73.02901	36.0
73.03297	2.4
74.09699	2.3
79.05062	0.9
79.05451	6.8
81.03398	11.7
81.07045	7.1
83.01346	1.1
83.04958	6.9
83.08593	8.0
85.02888	71.6
85.06504	1.0
86.07383	1.2
87.00821	10.7
87.04444	7.9
91.03922	3.2
91.05442	5.9
93.07030	4.3
95.04940	20.6
95.08575	6.3
97.02874	37.1
97.06512	2.6
99.04429	13.5
99.63146	1.1
103.03958	1.9
105.01836	6.4
105.07010	72.1
107.08569	48.7
108.08838	1.6
109.02859	12.7
109.06474	7.2
109.10138	5.3
110.10497	1.1
111.04414	4.3
111.08038	1.8
115.03903	15.8
117.06982	1.8
119.04894	1.3
119.08558	7.7
121.02839	4.8
121.06470	2.4
121.10094	9.9
123.04449	1.3
123.08041	100.0
123.11684	7.2
124.08336	1.1
125.05965	3.3
125.09605	29.1
127.03899	27.7
129.01872	1.2
129.05446	1.5
129.06984	1.9
131.08559	4.6
133.04935	17.4
133.06488	1.3
133.10117	3.5
135.04401	1.1
135.08037	3.4
137.05942	2.7
137.09590	11.2
138.09909	2.3
139.03935	1.5
139.11174	4.6
145.04927	21.1
145.10065	2.5
147.04390	2.6
147.08012	3.6
147.11667	3.4
149.09589	37.2
149.10724	2.3
150.07582	2.5
151.07629	5.6
153.09055	1.5
155.10745	1.3
159.02884	2.9
159.11688	3.6
161.09595	2.5
161.13219	59.6
162.10028	1.5
163.06010	7.1
163.11172	2.3
165.05376	1.7
165.09088	10.3
165.12701	4.4
166.09384	1.6
167.06973	2.5
167.10605	10.4
169.76401	1.1
173.09637	1.6
179.10632	1.3
181.12279	1.2
183.13812	4.3
189.09122	3.1
189.12744	9.6
191.07024	2.0
191.10603	6.5
195.13756	1.3
199.06010	1.8
203.10730	1.2
207.13750	14.2
215.10558	1.5
219.13754	1.3
223.06026	3.4
223.13300	2.9
225.14815	94.3
226.15166	2.1
231.10071	1.3
235.13254	9.8
237.14824	10.1
241.06987	4.9
249.14806	29.4
251.12091	1.3
259.08060	5.7
261.14777	3.7
267.15869	6.2
273.14835	1.8
279.15930	2.5
287.05463	3.2
291.15897	6.1
293.17532	1.6
293.20859	1.4
295.10272	1.9
315.15726	5.0
333.16711	3.3
341.19629	1.8
419.16949	1.6
437.18073	11.2
455.19196	5.1
473.20435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98133	0.3
53.03930	1.0
55.01848	0.5
55.05484	1.0
57.03415	0.9
57.67831	0.3
65.03916	0.9
67.05495	3.0
69.03419	7.2
69.07055	1.7
69.36803	2.3
69.37218	1.4
71.04983	2.1
73.02897	0.4
74.09708	1.0
79.05475	1.5
79.21670	0.4
81.03409	4.3
81.07039	3.6
82.07375	0.6
83.04964	2.6
83.08595	0.6
85.02891	3.5
85.06521	1.4
91.05466	6.6
93.07031	2.4
94.07366	0.4
95.04939	1.3
95.08577	2.6
96.08936	0.4
97.02876	1.7
97.06512	0.7
97.10149	0.4
98.20708	0.8
99.04430	1.9
99.08093	0.9
105.01857	0.4
105.03384	2.7
105.07007	2.9
106.03686	0.6
106.07343	0.4
107.04931	0.6
107.08589	2.4
109.02861	2.9
109.06517	1.0
109.10143	2.7
110.10474	1.0
111.04417	1.9
111.08076	0.9
115.05326	0.5
117.06986	0.6
117.81525	0.4
119.04923	16.9
119.08559	1.7
120.05222	0.5
121.06483	1.2
121.10124	1.4
123.04442	1.0
123.08107	0.8
123.11645	0.6
125.09629	0.8
127.03916	2.6
129.05455	3.1
129.06993	0.4
133.10109	1.9
135.07997	1.1
135.10727	0.4
135.11700	1.2
137.02368	0.5
137.05910	0.4
137.09596	3.8
138.09947	1.1
143.08511	0.7
145.04927	0.9
145.10109	1.2
146.06032	0.6
147.04387	100.0
147.11662	1.4
148.04700	1.8
149.09586	1.6
155.10629	0.6
157.10077	0.8
159.11729	0.6
161.09615	0.8
161.13239	0.5
162.05527	1.1
163.03841	1.1
163.11182	1.0
165.05432	4.1
165.09103	2.7
166.09450	1.0
167.07043	0.8
167.10635	0.6
171.11681	0.4
173.77519	0.3
175.11140	0.5
177.05342	0.6
179.10577	0.6
181.08597	0.4
189.07562	0.7
189.12712	0.5
191.14064	0.4
201.11130	0.6
205.12326	0.4
207.13737	0.9
223.13278	1.6
224.13658	1.1
225.14790	0.4
249.07550	0.6
257.19229	0.4
275.19962	0.9
287.05463	3.5
291.08551	3.0
293.20993	0.5
303.04965	8.8
309.09656	3.6
312.03876	0.4
327.52731	0.4
328.14987	0.4
351.14261	0.4
472.19217	0.6
490.17139	0.7
490.24896	0.4
490.34689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3571
Annotation	Yardenone
Peak:m/z	Relative Intensity
53.03938	6.7
53.45744	2.7
53.65491	2.5
55.01859	3.5
55.05496	25.5
56.34653	2.9
57.03425	5.2
57.07056	8.3
59.04985	7.6
67.05500	50.4
69.03416	7.6
69.07058	34.8
69.45650	24.2
71.04976	18.4
72.78754	2.7
79.05480	48.2
81.03402	12.9
81.07044	88.1
83.04948	8.2
83.08602	18.4
85.06532	15.7
85.21706	3.1
91.05462	45.1
93.07030	79.5
95.04956	33.4
95.08595	85.3
97.06512	31.2
97.10155	11.9
99.04455	2.9
99.08089	6.8
103.05472	3.3
105.07018	96.3
106.07379	3.3
107.04938	11.5
107.08580	100.0
108.09013	3.1
109.02878	3.8
109.06520	32.8
109.10136	63.9
111.04483	3.8
111.08058	10.5
113.05982	32.0
115.05441	3.3
115.07549	4.7
117.06992	26.7
119.08566	78.5
120.08907	3.8
121.06487	10.3
121.09285	5.9
121.10130	65.3
122.10516	2.8
123.04409	4.8
123.08029	22.4
123.11691	36.0
125.09596	26.5
125.73016	2.8
127.03929	5.3
127.11157	21.4
128.06245	4.2
129.06993	20.2
130.07724	3.3
131.08559	54.2
133.06528	5.2
133.10103	73.5
133.11053	4.1
135.08054	9.9
135.11668	59.9
137.09604	21.1
137.13213	8.8
139.07547	2.9
141.06979	9.2
142.07726	11.5
143.08533	43.7
143.10626	14.0
144.09305	5.7
145.10101	89.3
146.10509	3.3
147.08047	4.4
147.11678	62.1
149.09639	15.3
149.13240	21.9
151.07738	2.9
151.11188	6.3
154.07797	4.4
155.08557	18.1
155.10623	4.7
156.09348	7.8
157.10112	50.0
159.08051	5.8
159.11662	74.5
160.27481	2.8
161.09604	8.7
161.13237	58.5
163.03847	2.9
163.07469	4.2
163.11147	14.1
163.14807	17.0
165.09035	16.3
165.12759	6.0
167.08583	5.4
168.09322	3.5
169.10129	24.2
170.10788	6.4
171.11665	38.8
173.09573	10.3
173.13260	40.5
174.13591	4.1
175.11188	15.9
175.14815	29.5
177.09163	5.6
177.12749	11.2
177.16368	8.5
179.08553	4.3
179.10692	4.9
179.14346	4.3
181.10132	8.1
183.11656	18.3
185.09578	4.4
185.13187	26.8
187.11160	12.8
187.14789	39.5
189.09096	3.1
189.12730	11.2
189.16331	16.1
191.10667	8.4
191.14296	7.3
191.17870	7.0
193.10159	6.5
193.12228	6.8
195.11697	14.3
197.09685	4.8
197.13254	13.1
197.15088	3.4
199.11192	5.4
199.14799	21.8
201.09454	3.5
201.16341	35.1
203.14323	5.8
203.17902	13.2
205.12190	8.5
205.15903	9.0
205.19585	4.2
207.11720	4.6
207.13750	9.8
209.11569	7.1
209.13283	9.6
209.18919	3.1
211.14891	10.4
213.12666	7.2
213.16249	6.6
215.10703	4.4
215.14351	8.2
215.17870	7.4
217.12207	5.7
217.15785	10.3
217.19460	3.5
219.13770	6.5
219.17400	10.7
221.13210	7.4
223.13037	4.2
223.14928	4.5
223.16776	3.2
225.16426	5.8
227.14496	4.5
227.17896	5.6
229.19633	3.9
231.13821	6.4
233.15320	7.3
233.18936	6.1
235.13161	4.1
237.16438	16.5
237.18369	3.2
239.14247	3.9
239.17955	9.3
241.19502	3.4
245.15392	9.3
247.16855	3.8
247.20586	4.5
253.19487	5.3
255.17346	4.5
263.16367	3.8
265.19330	3.1
275.17838	8.4
275.20416	4.6
277.19446	3.8
283.16882	12.8
293.18805	11.0
295.20673	4.4
301.18008	6.5
301.25644	3.0
309.21912	4.0
311.20035	7.7
317.20804	3.2
321.18430	10.9
329.60785	3.2
339.19434	25.5
357.20526	9.1
357.27689	3.5
365.24661	10.3
367.26260	4.9
369.27969	3.4
375.29022	3.5
383.25702	4.9
389.32065	6.8
393.23892	6.7
397.23380	4.7
407.33084	43.9
411.25244	16.1
413.30426	7.3
415.24521	3.7
425.34164	52.4
427.35956	7.1
429.26044	20.5
435.32779	25.6
443.35574	6.2
453.33694	43.4
471.27505	9.7
471.35147	22.2
489.28119	93.2
489.34875	12.0
490.28723	7.2
498.71780	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	489.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11052	2.3
55.01850	4.1
55.05499	15.8
57.07058	2.6
59.04982	3.0
62.67010	2.5
67.05496	33.2
69.03421	14.7
69.07059	27.3
70.91309	9.0
71.04982	4.1
79.05482	21.7
81.03406	19.3
81.07047	72.5
83.04972	12.5
83.08614	17.9
85.02901	7.7
85.06539	8.9
91.05458	24.1
93.07028	44.5
93.22218	2.8
95.04957	9.5
95.08594	96.9
97.02900	4.2
97.06527	10.5
97.10166	7.3
99.04449	4.2
99.08080	3.5
105.03374	3.4
105.07011	62.9
107.08580	64.5
109.02868	8.8
109.06482	8.8
109.10139	66.5
109.10895	3.2
111.08057	9.3
111.11697	4.0
117.06990	8.4
119.04964	2.7
119.08574	67.0
121.06538	4.8
121.10142	45.3
123.04398	3.3
123.08073	6.6
123.11694	31.7
125.09615	10.3
127.03938	8.7
127.11180	3.3
129.06993	5.8
131.08549	35.5
133.10109	50.6
135.08025	7.5
135.11664	25.1
137.05940	4.0
137.09595	42.7
137.13281	7.9
139.07509	3.1
143.08542	9.2
145.05042	3.1
145.10101	56.5
147.04384	3.5
147.08011	5.6
147.11659	46.6
149.09587	8.2
149.13211	20.5
151.07556	3.5
151.11183	4.6
153.09119	5.3
153.12674	4.5
155.10625	6.4
157.10100	17.2
159.11674	33.9
161.09622	10.0
161.13232	27.4
163.11165	4.1
163.14793	16.0
165.09100	50.5
167.07059	5.3
169.10075	5.4
171.11664	10.5
173.13248	38.6
175.07663	3.6
175.11172	5.0
175.14799	33.7
177.12782	5.6
177.16335	33.7
183.10141	4.2
183.11694	4.9
185.13268	12.5
187.11208	4.0
187.14792	44.9
189.12660	4.7
189.16389	23.0
191.10588	2.8
191.14288	35.9
191.17894	14.1
197.13312	4.7
199.14801	13.0
201.11102	4.5
201.12801	3.5
201.16377	16.2
203.14296	24.7
203.17917	67.2
203.19733	5.0
205.15854	100.0
205.19536	7.7
209.15300	5.6
211.14896	3.2
213.16356	9.2
215.14238	2.7
215.18011	5.2
217.15854	6.4
219.13965	3.4
219.17421	5.1
221.15343	9.9
223.16934	7.5
229.15833	5.1
231.17545	3.2
235.16919	5.5
249.18488	10.9
291.26675	3.6
297.28049	2.7
309.27768	10.2
313.03406	4.3
327.14355	6.3
343.04492	22.7
389.31992	6.7
393.05948	3.3
395.28946	4.7
395.33417	5.9
407.33130	24.9
423.32617	6.3
425.34283	13.2
435.32541	11.7
443.35269	3.9
453.28812	3.1
453.33737	33.6
471.18155	3.7
471.31219	3.1
489.32587	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	489.3569
Annotation	Isoarjunolic acid
Peak:m/z	Relative Intensity
55.05501	10.0
57.07064	4.9
64.22688	1.8
66.30087	1.9
67.05496	20.8
69.07053	13.0
69.63220	15.8
71.04994	2.6
79.05477	17.8
81.07050	38.3
82.07387	2.6
83.04961	5.2
83.08607	8.1
85.06524	5.1
91.05473	18.1
93.07028	35.7
95.04954	5.1
95.08591	56.2
97.06530	4.6
97.10155	5.4
99.08106	2.4
105.06361	4.0
105.07016	38.7
107.04899	1.8
107.08585	53.0
109.06490	4.3
109.10141	35.0
111.08093	4.2
117.07001	3.7
119.08567	49.4
121.06536	2.6
121.10126	43.1
123.08066	5.4
123.11710	12.0
125.09583	3.1
130.07773	3.1
131.08524	20.5
133.10100	36.6
135.08011	6.8
135.11667	23.2
137.09615	4.7
137.13284	3.2
143.08557	6.3
145.10110	26.4
147.11662	25.4
149.09630	2.9
149.13231	22.3
151.11108	2.2
157.10124	9.2
159.08028	2.3
159.11667	23.2
161.13205	15.5
163.11151	3.7
163.14804	19.3
165.09090	2.5
165.12737	2.3
169.10063	2.7
170.10837	3.7
171.11630	10.4
173.13223	20.3
175.11285	2.9
175.14801	24.5
177.16348	22.1
183.11748	2.4
185.13280	9.2
187.14778	33.8
189.16350	28.3
189.17885	2.8
191.14372	4.7
191.17886	13.5
193.15852	7.2
199.14798	12.7
201.16339	12.8
203.14180	4.3
203.17932	20.7
205.15883	10.4
207.13780	2.2
207.17438	9.3
211.14888	4.0
213.16418	4.7
215.17906	11.9
217.15863	4.9
217.19408	3.6
219.17427	2.5
221.15387	5.6
223.14818	2.6
227.17883	3.2
229.19495	11.5
231.17442	2.5
231.21309	2.7
233.15196	2.3
233.18962	4.8
235.16896	8.2
235.40253	1.9
237.16220	2.2
241.19551	2.8
244.06755	2.4
247.16922	3.4
249.18515	2.7
253.17740	2.3
261.18515	3.1
269.22653	2.2
275.19690	2.1
311.23700	6.6
329.24878	6.0
347.25894	9.7
389.31924	7.1
399.36826	2.4
407.33096	31.1
420.06955	1.9
425.34094	41.9
435.32800	14.7
443.35178	100.0
444.35376	2.9
453.33539	8.8
471.35211	11.2
489.28186	4.0
489.36377	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	489.3568
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03936	2.0
55.01876	0.7
55.05258	0.8
55.05502	11.3
57.03430	3.0
57.07063	1.2
57.31829	0.6
59.04989	2.1
59.16356	0.6
65.03915	1.6
67.05495	46.0
69.03430	0.9
69.07057	8.7
69.38160	4.8
70.61781	0.5
71.04975	2.0
79.05479	15.3
81.03408	1.2
81.06567	1.4
81.07044	25.4
83.04933	1.2
83.08608	7.1
85.06519	2.0
91.05472	16.4
93.07027	21.0
95.04958	3.4
95.08596	17.5
97.06505	2.5
97.10120	2.9
99.08051	1.0
105.06304	0.6
105.07019	14.7
107.08578	13.6
109.06536	1.6
109.10141	29.1
111.08078	1.8
115.05453	0.7
117.06988	4.6
119.08568	17.6
121.10125	10.7
122.84548	0.6
123.08071	1.1
123.11668	2.1
125.09588	1.7
129.06990	3.5
131.08554	10.8
133.10112	10.6
135.07950	0.7
135.11678	6.0
137.09598	2.1
137.13280	0.8
139.11124	1.7
141.06982	0.8
143.08589	3.7
145.10104	10.4
147.08041	1.0
147.11667	7.9
149.09680	0.6
149.13248	3.8
155.08549	1.5
157.10118	3.4
159.11688	7.3
161.13268	4.3
163.11111	0.7
163.14844	0.8
163.16089	0.7
169.10117	1.8
171.11668	4.0
173.11714	8.0
173.13239	5.9
175.14844	2.5
183.11719	2.6
185.13242	3.0
187.14803	2.9
189.16383	1.2
197.13269	1.6
199.14734	2.1
201.16443	0.7
211.14790	2.0
213.14851	2.4
213.16563	0.9
225.16403	0.9
229.14322	0.9
241.19418	1.3
243.21111	1.0
247.16971	0.6
259.20627	1.3
261.22034	3.3
271.20526	1.0
273.22244	1.0
285.22079	1.2
299.23608	1.3
317.24744	1.7
363.25208	0.9
377.26917	1.1
379.29901	5.4
391.28265	0.9
397.30945	9.0
415.32031	2.7
418.47440	0.7
433.33133	1.5
453.33368	0.8
471.34708	9.6
489.35675	100.0
490.36081	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	489.357
Annotation	Arjunolic acid
Peak:m/z	Relative Intensity
53.03931	5.8
55.05506	25.9
57.07070	5.4
58.06598	9.0
59.04983	6.5
67.05489	48.7
69.03407	5.6
69.07053	32.7
71.62836	5.0
79.05477	33.9
79.20081	4.0
81.03391	9.8
81.07047	82.1
83.04971	13.3
83.08595	16.9
85.06525	6.5
91.05447	36.6
93.07034	61.8
95.04938	16.7
95.08591	100.0
97.02872	4.7
97.06519	11.3
97.10144	11.7
99.08076	4.7
105.07014	56.9
107.04932	8.2
107.08577	85.0
109.06501	12.3
109.10130	75.6
111.08054	6.3
117.06995	15.3
119.07772	6.7
119.08570	74.6
121.06506	8.5
121.10117	73.0
123.08034	11.5
123.11664	23.0
125.09592	11.5
129.06960	5.0
131.08548	28.0
133.10098	57.7
135.08017	13.3
135.11664	47.0
137.09570	6.4
137.13239	6.1
139.11195	4.8
143.08562	16.0
145.10089	55.3
146.10373	5.1
147.11684	41.6
149.09563	10.6
149.13231	37.5
151.11121	7.3
156.09354	5.0
157.10045	22.2
159.08167	4.6
159.11661	43.8
161.09602	11.5
161.13252	26.9
162.13454	4.1
163.11128	16.9
163.14818	27.9
165.09085	12.7
169.10088	7.9
170.10864	7.3
171.11697	29.1
172.12260	4.9
173.13228	32.5
175.11221	7.8
175.14864	36.6
177.09528	4.5
177.12631	6.0
177.16351	59.9
183.11665	5.3
184.07306	6.7
185.13235	29.7
187.14789	67.0
189.12727	7.5
189.16341	42.5
191.14326	12.0
191.17915	41.2
193.15947	5.7
196.30258	4.6
197.13322	5.6
199.14835	28.3
201.16324	35.0
203.14287	14.8
203.17874	36.4
205.15805	32.0
205.19455	6.0
207.17468	8.6
213.16351	10.2
215.17915	12.6
217.15875	21.0
217.19585	7.2
219.17365	8.0
221.15408	7.8
223.16855	10.1
227.12601	7.6
229.15852	9.6
229.19475	11.8
231.17419	8.5
235.17007	21.0
247.16882	12.5
249.18439	8.7
269.22662	6.0
275.20050	7.6
313.17957	5.4
315.08789	4.5
374.91489	4.1
389.31766	12.4
407.33163	41.4
409.34555	8.5
425.34140	54.0
435.32501	44.0
443.35205	97.0
444.35056	4.4
453.33521	42.8
454.33517	5.1
471.35397	28.1
486.08774	4.7
489.28506	16.5
489.35336	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3569
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03931	2.0
55.05503	10.5
57.03423	4.2
57.07066	1.6
59.04975	1.6
65.03930	1.4
67.05496	40.8
67.49268	0.8
69.07060	7.8
69.62103	7.6
71.04982	2.9
74.97384	0.9
79.05486	18.5
81.07050	25.3
83.04980	1.3
83.08624	6.3
85.06517	1.4
91.05471	16.0
91.06007	1.6
93.07034	22.1
95.04985	2.8
95.08595	19.9
97.06539	2.2
97.10166	3.0
98.19289	1.0
105.07021	18.2
107.08576	13.8
109.06515	1.3
109.10146	25.8
111.08105	2.5
117.07026	5.3
119.08567	19.4
121.10142	11.2
123.11698	2.4
125.09613	1.9
129.07008	4.0
131.08557	13.5
133.10135	13.6
135.08057	1.4
135.11690	5.7
137.94295	1.1
139.03928	1.5
139.11209	1.2
141.06882	1.1
143.08539	4.5
145.10101	14.3
147.11665	8.7
149.09590	1.7
149.13229	2.5
155.08566	2.2
157.10094	5.2
159.11685	10.5
161.13210	5.2
161.41130	1.0
161.42615	0.9
163.14821	1.4
169.10104	2.4
171.11691	4.2
173.11723	5.9
173.13277	7.7
175.14810	2.1
178.81355	1.0
183.11670	3.4
184.07367	1.1
185.11772	1.0
185.13268	4.0
187.14816	4.3
189.16368	1.9
197.13274	2.7
199.13225	1.1
199.14906	2.5
201.16379	2.3
211.14812	1.9
213.14670	1.8
213.16415	1.9
219.81427	1.0
221.13232	1.1
225.16362	0.9
231.98425	1.0
241.19400	1.1
245.18784	0.9
261.22076	2.8
316.98959	1.0
377.26767	1.3
379.29935	6.4
397.30948	11.1
415.31879	2.8
433.33334	1.9
471.34769	12.8
489.35751	100.0
490.36276	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	489.3569
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03927	1.4
55.01857	1.5
55.05496	8.4
57.03418	3.4
57.07058	1.7
59.04975	0.9
65.03931	1.2
67.05165	1.4
67.05495	23.8
69.03407	0.8
69.07063	9.0
69.56175	0.7
71.04966	1.7
71.08624	1.3
71.63067	1.3
79.05479	18.5
81.03406	1.7
81.07040	29.3
83.04974	2.5
83.08602	7.0
85.06513	1.9
87.04440	0.7
87.33171	0.8
91.05463	12.1
93.07027	26.1
93.07619	1.4
93.12849	0.8
95.04945	4.4
95.08588	30.6
97.06537	1.6
97.10146	3.3
98.98451	16.5
99.08090	0.9
105.07009	17.4
107.04931	1.7
107.08581	23.0
109.06495	3.1
109.10139	18.2
111.08037	2.6
113.08945	0.7
115.05391	0.8
117.06979	5.5
119.08562	18.3
119.09348	1.6
121.06477	2.3
121.09303	1.3
121.10130	20.2
123.08034	5.2
123.11674	6.5
125.09594	1.6
129.06972	1.4
131.08533	10.2
133.10098	15.7
135.08026	2.5
135.11662	11.9
136.99948	1.8
137.09596	2.0
137.13223	2.7
139.11119	1.7
141.07072	0.8
143.08560	3.3
145.10106	14.9
147.11667	16.8
149.09604	2.6
149.13223	9.9
151.11148	2.3
151.14809	1.5
155.01003	16.6
157.10065	2.8
158.10754	0.7
159.08067	1.3
159.11659	12.5
161.09602	1.0
161.13234	9.1
163.11151	2.5
163.14801	8.1
165.09161	0.8
165.12750	1.2
169.10162	0.8
171.11684	4.3
173.13199	8.7
175.11209	1.0
175.14775	5.7
177.12758	1.6
177.16367	7.0
179.10602	1.0
179.14299	1.1
183.11681	1.2
185.13211	2.7
187.14807	13.5
188.15111	0.9
189.12801	1.4
189.16344	6.3
191.14319	1.4
191.17900	2.9
193.15894	1.1
195.63177	0.9
199.14825	2.5
201.16331	19.2
203.14272	0.9
203.17889	5.1
205.15828	17.7
207.13770	2.2
207.17444	1.4
211.03548	1.2
213.16322	2.7
215.17926	2.7
217.15799	1.3
217.19481	1.5
219.17432	3.1
221.15445	1.3
223.16908	6.0
225.16382	0.9
227.17889	1.7
229.04619	2.1
229.19562	1.7
233.15300	1.0
241.19547	1.3
243.21088	6.8
247.16934	5.6
249.18484	1.3
255.21051	5.2
257.22525	2.3
261.22113	8.0
264.17313	1.1
269.22702	2.6
289.21704	1.0
301.21460	1.9
317.24600	3.6
335.25720	28.9
336.26038	2.5
347.25717	6.3
373.27280	3.4
389.31915	1.1
407.32980	6.3
417.40878	1.9
425.34134	5.7
435.32535	3.8
443.35165	100.0
444.35376	3.1
453.33594	2.6
471.24634	4.3
471.35095	3.9
489.28394	5.2
489.35577	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	489.3569
Annotation	Rubianol a
Peak:m/z	Relative Intensity
51.59332	6.8
55.05490	17.6
59.19218	5.6
67.05495	33.9
69.07050	23.9
69.51180	51.1
79.05486	31.3
81.07041	70.1
83.04956	7.2
83.08572	15.3
91.05462	39.4
93.07036	62.0
95.08596	96.3
97.15502	6.1
105.07005	81.9
107.08571	100.0
109.06433	7.7
109.10119	62.2
111.08081	12.8
117.07019	19.6
119.08562	92.5
121.10139	86.8
123.08010	10.1
123.11687	13.3
125.09616	30.6
131.08548	53.9
133.06445	6.2
133.10112	68.1
135.07996	11.3
135.11641	32.1
143.08490	11.1
145.10107	66.8
147.08086	6.0
147.11656	52.4
149.09637	9.3
149.13222	26.9
157.10091	19.4
159.11679	69.3
161.09564	6.1
161.13254	46.9
163.14787	31.5
171.11577	13.4
173.13237	59.1
175.14824	56.3
177.12852	11.5
177.16371	69.8
185.13261	9.7
187.14778	74.1
188.15170	6.8
189.16386	52.0
191.14284	69.0
191.17883	28.8
193.15732	7.4
199.14699	17.5
201.16344	59.4
203.14326	46.3
203.16057	6.7
203.16373	6.7
203.17909	56.5
205.15828	81.8
213.16321	17.8
215.17903	19.6
219.17395	21.6
221.15253	29.9
229.15837	17.9
231.17424	7.6
235.16919	9.4
247.16887	28.1
249.18407	18.8
251.01295	7.3
261.18332	10.8
312.83969	7.1
379.33511	7.7
389.32095	19.1
395.32993	12.8
407.33072	93.3
425.34308	36.5
435.32419	34.7
453.33368	43.6
468.03000	7.8
471.34076	23.8
489.34869	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
54.63195	1.5
55.01871	4.1
55.05501	20.2
57.03433	5.1
57.07066	3.2
65.03922	2.3
67.05494	38.9
69.03412	5.8
69.07056	22.1
69.52101	13.6
71.04971	2.2
79.05480	45.7
79.29869	1.8
81.03404	8.3
81.07046	63.6
83.04957	11.8
83.08595	13.0
85.02917	2.0
85.06523	2.3
91.05463	37.8
92.05772	2.1
93.07030	75.4
94.07368	1.7
95.04957	14.6
95.08592	83.1
97.02911	2.0
97.06521	6.3
97.10155	7.0
98.20693	3.2
99.04456	3.4
99.08044	1.9
105.07016	64.9
107.04948	7.0
107.08578	77.7
108.08958	2.1
109.06483	10.5
109.10139	34.6
111.04461	2.5
111.08058	5.5
113.05981	2.1
115.05400	2.6
117.07002	17.0
119.08564	75.8
120.08913	2.4
121.06483	8.9
121.10125	49.6
123.08078	7.0
123.11701	19.1
125.05980	2.1
125.09636	13.3
127.03625	1.9
128.06192	3.0
129.06973	9.7
130.07758	2.7
131.08542	31.3
133.06517	2.3
133.10110	52.6
134.10437	2.8
135.08035	7.4
135.11671	37.5
137.09584	5.3
137.13272	2.8
139.07506	3.2
142.07845	1.6
143.08551	12.6
145.06476	1.8
145.10098	70.6
145.22430	1.6
146.10503	1.9
147.08018	3.0
147.10522	1.7
147.11659	43.3
147.12770	3.2
149.09593	3.8
149.13248	18.6
149.47397	1.7
151.11183	3.8
153.09030	2.7
155.08528	3.2
156.09354	4.2
157.10098	14.9
158.10902	2.4
159.11656	33.3
161.09627	6.9
161.13243	26.0
163.11145	32.4
163.14821	14.3
165.09166	3.0
167.10721	2.0
169.10092	2.8
170.10924	2.7
171.11658	15.8
172.12343	2.6
173.09573	3.0
173.13234	33.5
175.11148	4.2
175.14806	29.8
177.12744	5.1
177.16354	33.1
181.12245	6.6
183.11659	2.2
185.13225	7.5
187.11121	2.6
187.14792	47.2
188.15106	2.6
189.12708	7.2
189.16353	33.9
190.60246	2.2
191.10715	3.9
191.14217	14.0
191.17911	7.5
193.15880	2.4
195.11719	3.1
197.13255	3.5
199.14757	12.6
201.12761	3.4
201.16376	31.9
203.14308	11.4
203.17926	50.8
205.15849	100.0
205.19524	6.3
207.13808	10.3
207.17429	4.8
209.11673	2.8
209.13406	1.9
209.15244	3.0
213.16325	14.8
215.14482	2.3
215.17979	11.0
217.15854	6.5
217.19421	2.5
219.17438	7.6
221.15335	7.8
223.16885	7.0
227.12740	53.6
227.17912	5.0
228.13179	2.4
229.15913	4.0
229.19510	3.3
231.17392	5.8
233.15475	1.8
235.16985	2.1
241.19463	3.5
243.17300	1.7
243.20929	2.1
247.16933	4.1
249.18446	9.3
261.18314	2.3
274.18848	2.1
377.31985	3.4
379.33466	6.3
389.31955	6.6
395.28622	2.0
395.33167	8.6
407.32971	29.8
409.34021	1.8
423.32617	3.7
425.34711	13.4
435.32785	12.4
441.33496	4.7
443.35120	5.8
453.33994	26.3
471.30933	10.9
489.28387	47.3
489.34793	10.6
490.28436	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	489.3566
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03934	7.8
55.01855	7.0
55.05500	23.7
55.08278	4.3
57.07065	9.7
59.04996	8.9
65.03929	4.8
67.05495	43.1
69.07064	33.6
71.04977	10.3
71.06046	14.8
71.84458	4.1
77.78763	5.2
79.05473	55.5
81.03416	5.3
81.07047	95.3
83.04969	10.1
83.08598	14.8
84.31723	4.0
91.05467	54.0
93.07025	91.0
94.07368	4.9
95.04945	12.5
95.08594	96.8
97.06507	34.6
97.10164	10.3
98.73322	4.9
99.08087	5.7
105.07020	100.0
105.07675	9.5
106.64354	4.7
107.05002	4.7
107.08575	87.0
109.06542	7.0
109.10149	58.1
110.06760	4.3
111.08086	7.5
113.09632	6.7
115.07566	5.9
117.06982	25.2
119.08566	90.2
121.06490	6.3
121.10127	59.4
123.08037	9.0
123.11679	31.2
125.09644	14.3
127.11189	24.6
129.07004	14.4
131.08540	61.8
133.10095	89.3
135.11664	71.0
137.13179	5.9
139.11116	4.5
143.08499	24.5
143.10669	17.3
144.09447	4.5
145.10117	84.6
147.07988	6.8
147.11667	68.7
149.02367	5.8
149.09581	12.1
149.13231	32.9
155.08574	6.9
156.09236	6.3
157.10109	35.9
159.11658	79.2
161.09616	7.3
161.13246	62.6
163.11115	11.6
163.14806	14.0
169.10080	11.7
171.11671	34.8
173.09615	8.5
173.13237	42.4
175.11220	7.0
175.14790	32.4
177.12856	8.4
177.16339	15.8
183.11693	9.7
185.13290	16.9
187.11220	6.1
187.14769	50.2
189.12686	13.4
189.16370	29.0
189.36452	4.4
191.10674	6.6
191.17967	15.9
193.04909	8.8
197.13284	8.6
199.14714	25.8
201.12741	5.9
201.16377	47.8
203.14291	8.3
203.17931	24.4
205.15860	22.2
205.19580	4.9
207.13840	10.3
211.14763	7.5
213.16432	7.5
215.14209	6.9
215.17799	8.0
216.59241	5.1
217.15788	10.3
219.17389	11.5
227.17830	6.1
229.15894	5.0
229.19519	8.2
231.13608	4.7
233.15337	8.3
233.18979	7.0
245.15343	7.4
247.16917	8.0
263.16486	6.5
385.09073	8.5
385.27307	6.2
389.32092	7.2
390.89618	4.5
394.69046	5.6
407.32983	52.7
409.34528	7.4
413.30624	13.2
425.29770	5.2
425.34192	65.0
435.32465	30.0
443.35303	6.1
453.33603	70.4
471.35016	36.2
473.14166	15.5
489.28580	12.3
489.35574	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	489.3562
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.16330	4.4
55.05501	14.1
64.59463	5.0
67.05485	19.4
69.07040	13.9
69.51620	11.2
69.52039	29.6
79.05482	11.5
81.07048	42.9
83.04964	7.4
83.08596	8.2
91.05466	10.6
93.07035	28.5
95.04932	5.6
95.08595	79.2
105.07010	45.6
107.08582	60.2
109.06475	5.6
109.10140	37.2
117.07004	8.6
119.08563	59.8
121.06467	5.2
121.10146	29.3
122.76012	5.0
123.11672	17.4
125.09628	13.2
131.08553	33.8
133.10094	47.3
135.11661	17.3
143.08545	9.2
145.10109	49.1
147.11676	37.0
149.09599	5.3
149.13231	22.4
153.09010	7.0
157.10129	17.2
159.11690	31.5
161.09615	7.0
161.13245	20.7
163.11116	6.0
163.14767	11.6
171.11638	6.9
173.13251	58.7
175.14832	35.7
177.12753	6.6
177.16362	29.0
184.47180	4.9
185.13191	8.4
187.14780	51.7
189.16339	31.0
189.42337	5.1
191.14279	39.7
191.17886	8.8
199.14787	15.7
201.16347	20.6
203.14317	29.2
203.17911	70.0
205.15855	100.0
205.19473	11.5
207.27901	5.3
213.16362	11.7
215.14284	5.4
215.17926	8.7
219.17490	7.5
221.15384	11.8
223.16931	7.3
235.16847	6.5
244.81302	6.0
249.18416	19.4
269.22974	5.5
287.93427	6.2
379.33490	7.9
389.31970	8.0
395.28891	8.0
395.33466	9.2
407.33014	44.4
423.32593	7.8
425.34012	7.1
435.32385	17.7
443.35583	8.4
453.33649	47.5
471.34106	8.0
489.28409	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	489.3204
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
53.03929	8.1
54.45689	2.8
55.01857	6.3
55.05497	20.1
57.03436	3.8
57.07061	7.2
65.03909	4.0
67.05494	52.0
69.03421	29.7
69.07059	28.5
71.04972	7.2
71.61666	3.4
71.62118	4.2
79.05473	62.4
81.03403	21.0
81.07041	74.7
82.07328	3.6
83.04980	19.6
83.08588	16.3
85.02888	9.1
85.06523	6.7
90.14330	3.1
91.05468	67.2
93.07020	66.1
95.04939	25.1
95.08588	65.2
97.02898	5.9
97.06501	13.5
97.10120	7.9
99.04434	4.1
99.08080	5.7
103.05450	5.3
105.07011	88.4
107.04934	21.6
107.08572	64.7
109.06493	19.3
109.10130	49.6
111.04464	4.5
111.08038	9.3
113.09580	3.4
115.05441	4.5
117.06995	24.9
119.04915	3.8
119.08561	100.0
120.08847	3.6
121.06490	19.0
121.10123	52.7
123.04371	4.2
123.08018	9.5
123.11685	14.1
125.05980	4.6
125.09625	12.6
127.03867	4.8
127.07563	3.7
127.11160	3.5
128.06165	6.8
129.06976	25.5
131.08553	49.7
133.06438	7.8
133.10117	55.4
135.07999	10.8
135.11635	32.2
137.05977	5.4
137.09561	15.3
141.06940	6.8
142.07774	12.1
143.08524	40.3
144.09296	3.4
145.06436	4.9
145.10089	80.5
146.10435	3.6
147.08025	15.8
147.11673	41.1
149.09575	12.9
149.13239	13.9
151.07469	5.2
151.11147	6.4
153.12688	4.6
154.07733	4.1
155.08553	18.1
156.09326	8.3
157.10106	43.3
158.10809	5.9
159.08041	7.1
159.11665	56.8
161.09641	15.4
161.13237	29.9
163.07475	4.1
163.11166	16.0
163.14798	17.0
165.09082	20.0
165.12785	4.5
168.09186	4.0
169.10132	15.6
170.10858	7.1
171.11670	48.5
172.12383	4.9
173.09627	7.3
173.13228	39.3
175.11185	17.5
175.14813	35.3
177.09160	5.9
177.12717	11.9
177.16360	59.2
178.16655	3.5
179.10663	4.7
181.10072	6.6
183.11684	25.5
185.09634	3.3
185.13231	33.1
187.11151	13.2
187.14780	54.5
189.12717	29.3
189.16318	25.2
191.10617	10.4
191.14256	8.8
191.17924	5.5
193.10223	3.8
193.12131	7.7
195.11716	8.0
196.12250	3.7
197.13219	14.3
199.11148	6.4
199.14746	18.9
201.12669	10.2
201.16360	35.6
203.10669	4.5
203.14305	20.0
203.17918	11.7
205.12175	8.0
205.15784	4.8
207.11929	4.1
207.13828	18.3
207.17279	3.8
209.11604	5.3
209.13316	4.5
211.14758	9.2
213.12788	3.2
213.16316	12.2
215.14301	15.1
215.17949	5.4
217.12250	3.3
217.15817	5.3
219.11830	4.3
219.13802	22.9
221.13324	4.6
221.15327	8.5
223.14862	4.5
225.16374	4.2
227.12723	6.7
227.17981	11.4
229.19539	7.5
231.13771	5.3
233.15285	8.4
235.13287	10.9
235.16881	7.5
241.19498	3.7
245.15274	7.7
247.07845	4.4
247.16867	8.0
249.14761	6.7
253.14279	8.6
253.19463	3.8
259.16901	7.0
265.14233	9.8
267.15863	10.5
273.18497	4.4
311.10669	3.8
318.23898	3.5
339.09818	3.4
343.09659	3.6
349.23788	3.4
357.07507	15.6
361.10742	5.8
371.27148	4.3
375.08273	8.0
385.06894	10.9
385.10947	7.7
389.28281	13.7
391.29739	7.3
403.07877	39.7
404.08524	10.2
405.27789	13.4
407.29178	33.0
407.33475	3.3
417.27768	12.1
423.28445	4.1
425.29959	23.6
429.09048	4.2
429.26392	7.8
435.28577	31.6
443.31454	96.3
444.31638	7.6
445.12732	34.4
446.13116	5.8
449.18018	3.6
453.29166	21.4
454.29596	4.3
471.26520	4.8
471.30899	10.7
489.15546	73.8
489.27203	40.7
490.15656	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	489.2838
Annotation	11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B
Peak:m/z	Relative Intensity
53.03944	6.6
53.59213	1.1
55.01858	9.2
55.05252	1.8
55.05502	25.9
57.03423	6.4
57.07045	2.1
59.04977	2.6
61.76620	1.1
62.36006	1.1
65.03912	5.3
67.05492	56.8
69.03410	3.4
69.07057	13.4
71.04980	9.8
71.52933	1.2
73.06517	1.2
77.03888	1.1
79.05479	74.7
81.03403	24.7
81.07041	49.4
83.01308	4.3
83.04963	21.7
83.08599	11.3
85.02869	3.7
85.06513	3.8
91.04884	2.1
91.05465	63.6
93.07027	65.3
94.07326	1.5
95.04950	27.8
95.08594	38.6
97.02877	3.4
97.06506	9.2
97.10146	5.2
99.04417	2.3
99.08047	1.3
103.05431	3.1
105.07011	42.4
107.04932	18.9
107.08569	30.4
109.06516	11.4
109.10130	9.5
111.04427	4.0
111.08049	3.3
115.05410	2.6
117.07003	16.7
119.08555	32.1
121.06487	7.8
121.10126	18.7
123.08065	11.9
123.11712	2.7
125.05987	1.7
125.09595	3.5
128.06177	3.5
129.06975	18.1
130.07806	1.7
131.04889	2.0
131.08539	13.3
133.06473	3.2
133.10100	14.4
135.08025	4.1
135.10789	1.7
135.11678	16.5
137.09575	3.3
139.11125	3.2
139.45306	1.1
141.06888	1.6
141.09044	1.4
143.08556	11.0
145.06424	2.6
145.10104	25.3
145.11238	1.4
147.08006	4.7
147.11655	27.0
149.09622	6.2
149.13228	2.3
153.12724	5.5
155.08490	3.1
157.10100	3.8
159.08044	1.3
159.11687	6.2
161.09604	4.1
161.13231	10.2
163.11160	21.6
163.14804	2.1
165.09055	1.3
167.08443	1.6
169.08730	1.5
169.10146	3.3
171.07988	1.7
171.11661	20.6
173.09593	3.8
173.13232	3.7
175.14807	2.7
177.09029	1.5
177.12718	1.2
177.16431	2.0
181.10098	1.3
181.12189	5.2
183.11584	2.4
185.13237	2.9
187.14780	4.8
189.12671	9.2
189.16356	3.6
190.16779	1.6
191.10637	5.2
191.17790	1.3
192.11508	1.4
195.11664	1.4
197.13177	2.2
199.14767	2.8
201.16322	2.6
203.14122	1.7
203.17783	1.8
205.15872	7.1
207.13754	22.8
209.11688	12.4
219.17491	1.4
221.15437	1.1
225.14761	1.7
227.12698	18.1
227.14595	1.7
229.19490	1.3
235.16890	1.4
241.14207	1.5
249.14830	1.8
265.14240	4.0
281.17593	8.1
305.17523	2.7
320.99866	1.2
361.21432	1.8
379.22504	3.2
397.23447	2.7
407.33200	1.6
425.34082	2.4
435.32309	1.7
441.32669	1.4
443.35275	16.3
453.33295	1.8
471.26822	11.7
489.28290	100.0
490.28784	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	488.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.05501	6.4
57.07075	2.1
67.05504	13.5
69.07049	9.3
71.32947	3.3
79.05477	10.0
81.07047	17.7
83.04950	1.8
83.08614	4.8
85.06525	1.7
89.06002	3.4
91.05463	9.5
93.07011	17.6
95.04966	2.4
95.08593	28.8
95.09161	2.5
97.10168	1.9
99.21564	1.4
105.07015	18.6
107.08581	25.0
109.10129	15.6
117.07004	2.8
118.07384	1.3
119.07769	2.7
119.08568	33.3
120.31916	1.4
121.06519	1.7
121.10123	15.7
123.11699	4.4
131.08537	8.3
133.10104	23.1
135.11664	10.1
135.27237	1.5
143.08583	2.2
144.09241	1.5
145.10107	18.6
146.10820	1.8
147.11684	13.8
148.12004	1.6
149.13260	17.9
153.09077	2.0
157.10136	5.1
159.11671	10.8
161.13225	9.6
163.14809	29.6
169.10043	1.8
171.11679	4.8
173.11905	1.7
173.13168	7.5
175.14818	17.1
177.09067	3.5
177.16376	6.4
179.14265	2.6
185.13237	3.9
187.14784	34.7
189.16353	38.7
191.10674	1.5
191.17868	2.4
193.15834	3.2
199.14839	3.3
201.16359	19.9
203.17923	12.1
205.15820	2.6
207.17404	2.3
211.14780	2.1
213.16440	3.6
215.17943	17.7
219.17400	1.7
227.17970	3.3
229.15958	2.2
229.19463	8.4
235.16777	2.5
241.19437	2.5
247.16948	11.6
249.18510	6.0
253.19423	3.5
261.18451	37.9
273.18469	3.3
275.20074	2.9
281.22510	2.4
293.22495	1.6
299.20068	1.9
377.31958	16.8
395.32962	3.5
397.30783	2.0
407.32977	3.8
423.32513	100.0
424.33029	3.9
434.19058	1.4
435.32535	5.4
441.33624	45.7
453.33551	5.8
471.34790	6.3
488.34924	2.5
488.42920	1.5
489.35919	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	487.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51803	3.3
55.05506	15.4
57.07048	5.8
67.05479	17.5
69.03420	14.6
69.07047	23.2
70.77885	10.8
71.04964	4.8
79.05473	24.8
81.03376	3.9
81.07050	56.0
83.04984	16.7
83.08603	9.6
85.02883	10.4
85.06519	6.1
91.05472	29.9
93.07024	52.2
93.46783	4.1
95.04956	13.4
95.08590	71.9
97.02881	5.8
97.06502	16.0
97.10128	3.6
99.04439	4.5
101.06028	3.6
105.07016	74.7
107.08583	73.7
109.02798	4.4
109.06519	10.6
109.10138	43.0
111.08054	16.8
117.07005	10.4
119.08561	95.5
121.02843	7.8
121.06506	6.9
121.10122	52.6
122.68171	3.5
123.08052	12.9
123.11686	18.1
124.01827	3.6
125.06049	4.0
125.09602	8.9
127.03938	4.2
127.07553	4.1
128.06166	6.2
129.06982	6.6
131.08556	44.1
133.10104	78.2
135.04378	3.4
135.08034	13.1
135.11670	24.5
137.09602	6.2
139.07529	4.2
142.07790	5.4
143.08568	17.2
143.23650	3.6
144.09285	5.9
145.10095	83.5
147.04373	15.0
147.07983	6.5
147.11662	36.7
149.09636	10.5
149.13217	27.8
151.11075	6.0
153.09035	6.0
155.08521	6.4
156.09317	8.3
157.10077	35.7
159.11662	60.0
161.09583	18.5
161.13237	34.3
163.07512	4.8
163.11176	7.3
163.14766	24.3
165.09097	10.2
165.12656	4.3
169.10141	4.5
170.10861	4.7
171.11606	26.1
172.12379	4.0
173.13258	60.1
175.11172	11.9
175.14777	43.4
177.05409	7.9
177.09158	4.5
177.12671	6.0
177.16324	25.2
179.10654	4.0
181.10164	4.4
181.12149	4.9
183.11670	5.5
185.11836	4.4
185.13165	19.5
187.11127	7.3
187.14799	100.0
189.12836	5.9
189.16347	56.3
191.14282	37.0
191.17880	18.3
195.11978	4.4
197.13298	10.4
199.14821	41.3
201.12711	4.6
201.16342	90.9
202.16832	4.2
203.07042	3.7
203.14339	20.0
203.17960	39.2
205.15858	55.2
207.17455	7.7
209.13441	4.9
209.15344	15.8
213.16339	14.0
214.16428	3.7
215.14328	5.6
215.17950	15.9
217.12433	4.2
217.15793	28.0
219.13765	4.7
219.17421	7.5
221.15346	10.3
225.16348	5.1
227.17894	5.4
229.15845	10.0
231.17465	5.4
235.16914	27.0
239.18016	4.1
247.16922	21.3
261.18304	5.2
307.68439	3.5
317.08655	3.9
345.48032	3.7
387.30600	4.8
393.31470	21.4
405.31500	38.6
407.33099	7.0
421.30844	10.6
423.32407	23.7
425.34268	6.0
433.31003	12.5
439.32104	12.2
441.33710	32.3
451.32126	38.5
469.29062	6.1
487.33578	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	487.3415
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03922	2.9
55.05510	16.4
55.05729	3.7
57.03426	2.7
57.07047	3.6
59.04995	2.2
65.14355	2.4
65.77819	2.3
67.05500	20.8
69.03418	6.6
69.07059	17.5
69.22970	2.5
69.47054	23.3
71.05011	3.7
74.88688	2.2
79.05476	14.0
79.45734	2.6
81.03425	2.8
81.07047	41.5
83.04965	9.8
83.08607	11.6
85.02881	2.8
86.09716	2.2
91.05468	24.6
92.76217	2.3
93.07024	43.0
95.04941	8.9
95.08591	64.3
97.06499	7.4
97.10148	3.5
98.21499	5.1
99.04428	3.9
105.07016	63.5
107.04906	3.9
107.08581	62.7
109.06495	11.9
109.10146	29.8
111.08053	6.0
117.06971	13.9
119.08566	100.0
121.06483	9.3
121.10132	41.0
121.10926	4.8
123.08038	8.3
123.11690	12.6
125.05976	3.4
125.09608	9.2
129.06975	7.9
130.07845	3.9
131.08549	43.4
132.08870	3.4
133.06456	2.7
133.10112	70.6
135.08084	11.8
135.11667	22.5
137.09589	4.1
139.07524	2.6
141.06863	2.7
142.07738	4.3
143.08565	19.5
144.09215	3.6
145.09024	4.4
145.10106	62.6
147.04323	2.4
147.08076	6.8
147.11662	35.8
149.09579	10.0
149.13231	14.9
151.07526	3.9
151.11105	4.0
153.09070	5.7
155.08488	5.5
156.09352	6.6
157.10091	30.3
158.10840	5.1
159.11664	47.4
161.09584	16.9
161.13220	20.0
163.07535	3.3
163.11154	7.4
163.14778	27.5
165.08948	4.6
169.10091	8.5
170.10899	4.8
171.11671	24.1
173.09592	5.0
173.13237	46.2
175.11139	8.3
175.14799	30.6
177.09096	8.0
177.12682	7.5
177.16336	14.1
181.09972	3.0
181.12231	3.4
183.11649	9.3
184.12416	3.0
185.13245	23.2
187.11177	3.9
187.14801	64.0
189.12779	14.6
189.16370	51.3
191.10660	3.2
191.14287	30.8
191.17906	16.3
193.12279	4.9
193.15598	3.0
197.13258	8.5
199.14790	33.8
201.12617	3.0
201.16385	41.0
203.14285	24.6
203.17941	21.7
205.15884	26.1
205.19490	2.6
209.13330	3.8
209.15279	26.7
211.14803	4.9
213.16351	14.5
215.14267	6.7
215.17941	5.8
217.15894	18.3
221.15266	19.3
225.16273	4.7
229.15802	9.9
229.19482	3.0
231.17456	7.6
233.15401	3.3
235.16908	39.3
236.00690	2.5
241.19559	4.4
247.16933	33.7
248.25026	3.0
249.18440	5.6
251.17934	2.6
253.18416	3.0
259.20566	2.7
271.06198	2.6
285.10086	5.0
387.30502	5.1
393.31540	5.5
405.31662	29.1
407.32809	2.9
421.31015	5.2
423.32452	8.7
433.30902	10.0
439.31955	5.6
441.33408	8.2
451.32248	34.8
469.33060	6.5
487.13434	3.7
487.33618	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	487.3411
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.54155	2.6
53.03931	4.6
55.05501	16.4
57.03422	2.7
57.07055	5.3
67.05491	34.7
69.07059	21.5
69.50037	16.7
69.50449	8.3
71.04970	3.6
79.05479	36.3
81.03419	3.4
81.07040	53.0
83.04961	8.5
83.08608	10.4
91.05454	38.5
92.45361	3.1
93.07036	48.3
95.04960	12.0
95.08589	71.3
97.06516	8.6
97.10169	3.1
99.04408	4.8
105.07011	60.1
107.08571	70.5
109.06483	10.6
109.10143	42.7
111.04417	3.5
117.07016	9.0
119.08556	100.0
120.82896	3.4
121.06470	8.0
121.10119	59.4
123.08035	13.2
123.11666	12.8
125.09601	4.3
129.06984	9.9
131.08551	32.1
133.06503	4.2
133.10103	64.7
135.08047	10.4
135.11684	25.8
137.09592	8.0
140.16087	3.0
141.09106	5.0
142.07784	3.1
143.08522	15.8
145.10091	55.4
147.08043	10.2
147.11647	50.5
149.09581	13.0
149.13246	19.2
151.11195	4.1
155.08565	4.1
156.09369	6.6
157.10097	24.9
158.10881	4.4
159.11679	37.2
161.09622	15.0
161.13252	29.0
163.11116	5.9
163.14789	20.7
165.09090	6.9
169.10091	6.4
170.10869	5.4
171.11661	23.5
173.09525	3.3
173.13248	33.8
175.11124	5.5
175.14792	41.7
177.09009	4.4
177.12753	3.9
177.16360	23.2
185.13263	14.9
187.14803	58.9
188.15106	3.6
189.12759	15.4
189.16367	55.3
191.14317	15.5
191.17882	15.6
193.15749	4.4
197.13135	5.7
199.14806	30.4
201.16388	34.0
203.14288	9.9
203.17929	31.7
205.15891	5.5
207.12061	3.1
207.13835	8.4
211.14799	5.2
211.25763	2.9
213.16364	12.9
215.14293	8.0
215.17897	15.8
217.15819	33.6
219.13803	11.8
219.17453	3.3
221.15353	12.7
227.17802	7.3
229.15837	3.8
229.19443	6.9
231.17416	7.8
233.15331	5.7
235.16835	31.3
239.18002	3.8
247.16859	21.3
249.18478	8.5
257.80875	3.5
261.18430	7.7
293.20544	3.1
327.23221	4.9
387.30215	5.0
393.31549	6.4
405.31604	16.1
407.32886	6.7
410.29367	3.7
423.32547	50.5
424.32593	6.8
425.33881	5.1
433.31140	22.7
439.32056	3.6
441.33643	32.8
451.32098	25.6
469.33121	22.3
487.30423	12.0
487.33939	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	487.3412
Annotation	Sandorinic acid A
Peak:m/z	Relative Intensity
53.03971	1.0
55.05501	4.7
57.07055	1.7
67.05497	7.8
67.05799	1.5
67.11181	1.0
69.03406	1.6
69.07045	4.0
69.55499	1.4
69.55901	7.4
70.18427	0.9
71.04963	2.1
74.09692	4.6
79.05482	3.4
81.07049	12.4
83.04949	2.0
83.08601	2.7
85.06551	1.7
89.34116	1.0
91.05460	5.9
93.07033	11.7
95.04959	2.0
95.08594	18.9
97.06524	2.6
97.10168	2.0
99.08094	1.0
105.07019	14.6
107.08578	18.1
109.06488	2.4
109.10150	12.4
111.08010	2.4
117.06983	3.2
119.08562	26.3
121.06484	1.9
121.10130	21.7
123.08111	2.0
123.11696	4.1
125.09610	1.1
127.11141	1.6
127.96722	0.9
129.06947	1.1
131.08549	7.5
133.10115	19.8
135.08028	1.8
135.11653	9.4
137.09634	1.2
141.49225	1.0
143.08507	4.9
143.10609	1.4
145.10110	17.0
147.08028	1.8
147.11668	10.0
149.09602	3.6
149.13252	7.2
151.11249	1.1
155.08569	2.2
156.09332	1.4
157.10117	9.1
159.08054	2.0
159.11696	9.1
161.09645	4.1
161.13245	14.1
163.14784	3.6
169.10135	3.3
171.11696	5.9
173.09605	1.7
173.13219	9.8
175.11208	3.2
175.14803	22.7
177.12756	2.2
177.16371	3.6
183.11705	3.0
185.09570	1.9
185.13271	5.6
187.11195	1.3
187.14803	19.5
189.12752	2.4
189.16389	16.4
191.18011	2.9
193.15889	3.7
195.11725	1.4
197.13176	2.7
199.11293	1.7
199.14778	8.8
201.12724	2.3
201.16429	5.7
203.14291	3.4
203.17932	2.5
205.15840	1.4
207.11662	1.3
207.17491	1.5
209.13266	1.3
211.14816	2.3
213.16423	3.5
215.14314	11.7
215.17928	2.2
217.15823	5.2
221.13197	1.5
223.14774	2.2
225.16380	3.0
227.17931	3.1
229.15845	1.8
229.19434	1.3
233.15303	3.5
235.17009	3.3
239.18024	2.7
241.19598	2.4
245.15375	1.5
245.19046	2.0
247.16992	1.8
253.19542	2.0
255.21207	1.4
255.25493	1.1
265.19568	2.8
267.20966	1.3
271.20551	1.8
273.18390	1.2
279.20856	1.3
281.22672	1.3
289.18280	1.1
291.20963	2.4
306.30630	1.1
309.21902	2.0
387.30386	3.7
405.31577	7.3
419.81854	1.1
423.32648	5.8
433.31064	11.9
441.33636	6.8
451.32050	55.0
452.32397	3.3
469.33139	44.5
470.33282	1.8
487.34146	100.0
488.34570	7.7
508.81400	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3411
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
55.05502	14.5
57.07062	4.5
67.05495	25.7
69.03411	9.0
69.07059	22.3
70.87266	13.1
76.74470	3.4
79.05470	23.3
81.07046	61.4
83.08604	12.0
89.19426	3.6
89.60529	3.4
91.05449	26.1
93.07030	51.8
95.04971	7.1
95.08595	97.5
97.06519	38.9
105.07012	67.4
107.08582	90.4
109.06505	13.1
109.10139	50.7
111.08068	15.7
117.06985	12.8
119.08569	100.0
121.06483	16.1
121.10120	60.5
123.08054	9.7
123.11700	14.5
125.09604	9.6
129.06998	9.1
130.07799	4.3
131.08549	46.5
133.09221	7.2
133.10112	83.2
135.08023	16.5
135.11725	25.4
137.09587	7.1
141.09097	4.9
143.08528	20.7
145.10098	61.6
147.08029	15.7
147.11659	53.0
149.09599	12.7
149.13248	20.1
151.11140	5.9
155.08565	4.9
156.09224	4.6
157.10107	29.5
158.10805	3.7
159.11656	53.2
161.09598	26.8
161.13229	47.7
163.11145	6.7
163.14806	17.4
171.11696	23.3
172.12282	4.2
173.13243	39.8
175.11143	11.0
175.14807	47.2
176.15192	3.9
177.12772	6.3
177.16373	33.0
177.97044	3.7
183.11678	6.9
185.13222	15.6
187.11133	6.0
187.14803	62.6
189.12735	63.2
189.16348	78.2
191.14302	20.1
191.17909	31.0
197.13243	11.6
199.14754	45.6
201.12727	11.4
201.16382	48.3
203.14261	28.3
203.17920	42.1
205.15916	10.3
207.13824	12.3
207.17520	5.0
209.13295	7.2
211.14832	7.3
213.16365	15.6
215.14276	16.4
215.17886	18.5
217.15910	50.0
217.19424	5.3
219.13777	8.7
221.15356	9.1
227.14207	4.8
229.15930	10.8
229.19473	9.4
231.17426	9.3
233.15393	9.8
235.16896	86.3
241.19522	8.2
247.16846	30.9
249.18446	5.7
253.17937	5.7
257.22659	4.1
259.16718	6.4
261.18427	13.2
267.20966	6.1
269.22708	4.8
297.22131	5.4
327.23196	6.7
375.30817	4.7
387.30502	11.6
393.31506	50.0
405.31476	21.3
421.30994	12.5
423.32651	41.2
433.30923	14.9
439.32129	23.8
441.33679	49.8
451.32016	51.7
469.33151	63.6
487.34164	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3412
Annotation	Acerinol
Peak:m/z	Relative Intensity
53.61974	0.8
55.05509	4.5
57.07063	1.0
61.21982	0.9
67.05502	4.9
69.03400	1.0
69.07050	4.5
69.64259	4.1
69.64689	2.6
70.74734	0.8
79.05473	5.0
81.07044	13.4
83.04961	3.7
83.08598	2.5
89.25484	1.0
91.05460	8.6
93.07030	11.7
95.04967	2.0
95.08596	22.7
96.08904	1.6
97.06530	1.9
97.10178	1.5
105.07010	20.5
106.07357	0.9
107.08576	19.9
109.06505	3.4
109.10138	10.8
111.08070	2.4
117.06990	1.9
119.08563	29.4
120.08878	1.9
121.06505	3.5
121.10129	15.1
123.08047	1.4
123.11703	2.6
128.06310	0.9
129.06996	2.6
130.07748	1.8
131.08554	10.8
133.10107	19.6
133.11061	1.5
135.08044	3.1
135.11674	6.7
137.09618	1.8
139.07527	0.9
142.07814	1.7
143.08530	5.7
145.10107	19.2
145.11267	1.2
146.41534	0.8
147.08038	2.7
147.11667	13.7
149.09630	3.2
149.13281	5.0
151.11066	1.2
153.09079	1.5
155.08517	1.3
156.09358	1.3
157.10107	8.6
159.08064	1.0
159.11661	12.7
161.09560	5.0
161.13274	7.7
163.11166	2.2
163.14798	5.6
169.10094	2.4
170.10828	1.1
171.11697	7.3
173.09651	1.9
173.13243	14.0
175.11272	4.0
175.14795	11.8
175.16220	0.9
176.15112	0.9
177.12799	1.8
177.16371	4.8
178.16765	1.2
183.11726	3.1
184.12363	1.5
185.13206	5.1
187.11191	1.7
187.14780	13.3
189.12749	2.9
189.16336	16.5
190.16777	0.9
191.14250	6.6
191.17960	5.1
193.15862	1.3
197.13274	3.4
199.14799	9.4
201.12820	1.9
201.16370	9.0
203.14235	5.0
203.17941	4.9
205.15903	4.8
207.17433	2.6
209.13454	1.3
209.15349	3.9
211.14786	2.4
213.16394	2.5
215.14377	4.8
215.17978	3.4
217.15796	8.5
221.13374	1.1
221.15398	3.5
225.16353	1.5
227.17960	1.5
229.15807	1.9
229.19469	1.4
231.17450	1.2
233.15329	5.1
235.16908	6.9
245.15610	0.9
247.16917	7.3
249.18451	1.2
251.16185	5.4
253.19562	2.1
261.18564	1.0
271.20544	1.6
285.10260	1.2
309.21979	1.0
347.41608	0.9
387.30316	1.1
393.31436	1.4
405.31525	8.6
421.30978	2.1
423.32605	6.3
430.14203	0.8
433.30923	2.7
439.31641	2.0
441.33478	8.9
451.32141	8.3
469.32733	2.7
487.34158	100.0
488.34488	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	487.3408
Annotation	Sandorinic acid B
Peak:m/z	Relative Intensity
55.05495	15.9
57.07051	3.1
58.52689	3.7
67.05494	19.1
69.03423	4.2
69.07053	20.3
69.24299	3.3
69.59501	11.3
69.59925	18.9
73.14987	3.7
74.72313	3.1
78.08226	3.4
79.05479	23.6
81.07045	55.3
83.05009	3.8
83.08590	10.0
91.05466	20.6
93.07026	59.6
95.04955	4.7
95.08594	100.0
97.06499	7.3
97.10119	4.2
105.07014	61.2
107.08581	81.8
109.06497	10.4
109.10143	42.0
111.08048	5.2
117.07010	5.9
119.08561	92.2
121.06486	10.4
121.10133	58.4
121.11007	4.8
123.08080	7.0
123.11674	13.2
125.09653	5.7
130.07779	3.9
131.08549	28.0
133.10117	61.9
135.08035	5.9
135.11664	34.7
137.09598	4.9
142.07747	9.7
143.08513	18.8
145.10094	50.6
147.08087	11.4
147.11665	47.7
149.09590	5.6
149.13232	37.0
153.09119	5.8
155.08501	7.1
156.09398	4.4
157.10107	26.2
159.11681	37.9
159.12880	5.7
161.09621	17.5
161.13258	36.7
163.11133	9.4
163.14781	39.6
169.10078	7.0
171.11620	16.7
173.09618	6.6
173.13252	34.3
175.11168	13.8
175.14806	42.8
177.09073	4.2
177.12827	5.2
177.16364	39.9
179.14105	4.8
183.11644	8.8
185.13306	22.3
187.11214	5.1
187.14795	36.2
189.12715	15.7
189.16354	54.5
191.10692	5.6
191.14253	6.2
191.17906	18.0
193.12210	14.4
193.15797	20.5
195.11679	6.4
197.13289	7.7
199.14813	11.5
201.12773	4.4
201.16351	22.3
203.14244	22.4
203.17979	24.7
205.15805	4.8
207.13771	8.6
209.15288	4.7
213.16298	8.1
215.14345	13.9
215.17940	12.5
217.15929	11.3
217.19446	4.8
219.13786	11.9
219.17340	6.1
221.15294	8.2
227.14272	4.3
229.15862	10.6
229.19420	8.9
231.17397	11.4
231.20955	19.5
233.15329	13.1
235.16887	15.0
247.16911	10.1
249.18500	8.7
253.19588	4.2
261.18515	3.9
263.16370	7.1
277.21619	13.5
291.20865	4.5
297.22052	4.1
306.30887	3.9
309.22018	8.4
327.23187	23.3
387.30301	4.3
388.85187	3.4
393.31421	24.9
405.31409	33.6
411.32645	5.1
421.31265	17.2
423.32449	61.9
433.30817	10.8
439.32031	14.3
441.33578	72.6
451.31952	24.5
469.33081	25.3
487.34518	24.0
488.10864	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	487.341
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
51.99898	3.3
55.05492	13.5
57.07066	6.2
67.05482	12.5
69.07047	9.8
70.87076	9.9
77.12780	3.5
79.05474	6.3
81.07045	28.6
83.04957	14.8
83.08605	6.6
84.86492	4.1
89.17326	3.6
89.41267	3.3
91.05440	18.0
93.07025	30.5
93.95721	3.4
95.04910	5.5
95.08599	46.4
97.06496	10.4
105.07011	42.8
107.08578	46.9
109.06525	9.2
109.10171	28.1
111.08051	6.8
117.06993	7.5
119.08568	100.0
121.06473	4.8
121.10122	33.6
123.08058	11.3
123.11665	5.7
129.07002	8.1
131.08533	30.9
133.10121	84.7
133.12939	3.7
135.08058	9.5
135.11679	15.6
141.64861	3.7
142.07727	11.4
143.08598	23.3
145.10095	59.8
147.08029	5.2
147.11662	31.2
149.09648	9.9
149.13245	11.4
155.08517	5.7
156.09320	8.2
157.10100	32.8
159.08037	5.4
159.11671	59.1
161.09612	18.3
161.13249	17.7
163.14825	17.9
169.10068	8.6
170.10905	4.6
171.11658	25.8
173.13197	29.9
175.11191	5.8
175.14850	24.7
177.12663	6.2
177.16380	21.9
183.11554	4.8
185.13210	11.6
187.14787	67.0
189.12698	7.8
189.16345	66.4
191.14268	25.9
191.17889	16.8
197.13232	8.5
199.14813	39.4
201.16393	52.5
203.14279	10.2
203.17902	18.9
205.15939	23.8
207.17445	6.3
211.14775	7.6
213.16313	16.1
215.14410	5.7
215.17995	20.2
217.15849	45.0
219.17435	9.8
229.15787	8.1
229.19405	5.1
231.17500	4.0
233.15393	5.4
235.16902	43.2
237.16379	4.7
243.21094	3.9
247.16853	23.6
248.17456	3.6
249.18535	5.6
261.18469	7.9
265.19272	4.1
267.21045	5.6
393.31424	33.9
395.33063	5.5
405.31543	28.5
407.33167	6.7
421.30878	14.7
423.32391	11.2
433.30838	12.4
439.32120	23.5
441.33420	7.9
451.32089	29.5
452.32208	5.0
469.33133	5.1
487.33881	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	487.3409
Annotation	Acerinol
Peak:m/z	Relative Intensity
50.92613	5.1
52.21933	5.4
55.05499	18.9
57.03412	5.4
57.07062	6.0
58.54657	5.5
64.75438	5.5
64.98806	6.5
67.05500	27.6
67.86698	5.9
69.07066	17.4
69.51502	47.3
79.05489	19.8
81.07047	57.1
83.04971	10.8
83.08630	8.8
91.05473	28.5
93.07033	40.0
95.04949	8.2
95.08589	61.6
97.10181	8.4
98.21471	12.0
101.70213	5.4
105.07018	84.5
107.08582	67.4
109.06490	6.6
109.10134	29.9
111.08072	8.4
115.57381	4.8
117.07040	9.0
119.08571	100.0
121.10119	40.3
123.08049	6.5
123.11703	15.8
125.09641	10.9
126.78258	5.5
129.06973	6.8
131.08533	56.5
133.10110	65.5
135.08041	10.6
135.11687	17.0
141.07123	7.2
143.05331	5.7
143.08545	23.2
145.10112	92.8
147.11702	59.3
149.09599	6.6
149.13240	26.1
155.00972	8.8
155.08578	6.9
157.10123	21.3
159.11671	48.5
161.09583	10.8
161.13258	30.3
163.14815	20.0
169.10124	7.6
171.11740	16.3
173.13242	64.3
175.11122	8.8
175.14804	52.9
177.16353	29.5
183.11763	7.8
185.13161	28.7
187.14801	84.0
189.16322	31.7
189.17892	5.7
191.14333	28.3
197.13278	10.4
199.14801	29.3
201.16365	99.6
203.14391	27.2
203.17940	46.3
205.15845	56.8
209.15378	13.0
211.15022	7.2
213.16429	22.6
215.17937	15.4
217.15781	9.5
219.17395	7.1
221.15289	24.1
229.16037	6.5
233.18932	8.0
247.16847	19.8
259.20569	8.2
298.18973	5.9
387.30637	6.4
388.96869	5.8
403.05164	5.5
405.31445	41.8
423.32632	21.9
433.30997	16.3
441.33591	56.2
451.31873	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	487.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.8
50.30819	0.9
51.02367	1.4
53.03938	8.0
55.01860	4.2
55.05503	26.5
57.03413	2.5
57.07043	1.7
59.04979	2.1
65.01096	0.8
65.03925	5.0
67.05495	69.1
69.03405	2.8
69.06716	1.2
69.07061	16.7
71.04965	2.8
73.06530	3.3
77.03912	2.1
79.05481	100.0
80.05824	0.7
80.55435	0.7
81.03403	13.4
81.07044	65.6
83.04970	16.9
83.08607	8.9
85.06525	4.1
87.04438	0.8
91.05466	79.8
93.07030	82.5
95.04954	34.4
95.08591	45.7
96.05836	0.8
97.02876	1.5
97.06506	8.5
97.10157	5.9
98.21461	2.2
99.08071	2.4
103.05418	1.8
105.04491	3.1
105.07012	67.4
106.07373	0.8
107.04935	9.2
107.08578	33.0
109.06504	11.2
109.10146	11.4
111.08055	3.2
115.05420	2.0
117.06996	12.2
119.08561	43.9
121.06519	4.6
121.09294	1.2
121.10126	13.4
123.08048	8.6
123.11685	3.0
125.09605	2.4
127.07548	1.3
127.40075	0.7
128.06195	5.0
129.06990	26.2
130.07761	1.5
131.08548	9.4
133.06432	0.9
133.10107	22.8
135.08009	1.0
135.11674	7.0
137.09584	2.2
139.07542	1.0
141.07013	1.1
141.09091	1.5
142.07774	1.4
143.08530	16.0
143.10713	0.9
145.06425	1.1
145.10100	24.4
147.08008	4.1
147.11658	48.0
149.13228	3.0
151.07509	1.0
155.08400	0.8
156.09358	1.4
157.10060	2.9
159.11681	8.3
161.09584	6.1
161.13225	23.2
163.11186	3.9
163.14755	2.7
165.09055	1.0
169.10059	2.2
171.11664	43.0
172.12062	0.8
173.09514	1.2
173.13205	5.9
175.11206	0.9
175.14795	5.2
177.12711	1.2
177.16357	1.6
179.14215	4.5
183.11693	1.3
185.13251	2.4
187.11180	1.1
187.14764	11.5
189.12717	19.4
189.16319	4.8
191.14307	1.1
191.17973	1.5
199.10963	0.9
199.14848	3.6
201.12726	1.0
201.16373	4.4
203.17880	2.1
205.15829	1.7
207.13766	51.4
213.16498	1.2
215.17857	1.6
217.15829	1.9
219.13652	1.0
225.14775	10.2
231.13893	1.0
231.17369	1.4
233.15308	2.4
235.16965	1.9
263.16229	4.0
281.17392	5.4
327.22995	1.0
377.24463	0.9
387.30365	1.5
395.00296	0.8
396.02542	0.8
405.31503	5.3
423.32700	8.0
433.30893	1.7
439.32480	0.9
441.33536	2.4
450.32782	0.9
451.32135	4.3
459.31210	1.1
469.28342	1.0
469.32910	3.8
487.30362	87.6
488.30722	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	486.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70840	0.4
53.03941	1.0
53.51635	0.3
55.01862	1.8
55.05511	0.9
55.78234	0.3
57.03430	4.1
58.64795	0.3
59.01641	0.3
60.17975	0.4
61.02922	7.8
62.72213	0.3
63.23314	0.3
64.62592	0.3
67.05479	0.8
69.03421	16.2
69.07053	0.9
69.79492	0.3
70.04076	1.7
70.06577	0.4
70.10396	0.8
70.10780	0.9
71.01353	0.4
71.04984	2.2
72.59524	0.3
73.02909	3.3
79.05489	1.0
81.02940	0.3
81.03406	6.8
81.07053	2.2
83.01324	0.7
83.04980	1.1
83.08600	0.4
85.02893	100.0
85.06519	0.5
86.03235	0.8
87.04458	1.4
91.03947	5.5
91.05458	0.7
93.07053	1.7
94.07378	0.5
95.08598	2.1
96.08949	0.4
97.02879	26.3
97.06522	0.7
97.10119	0.4
99.04440	4.5
101.02389	0.7
103.03929	0.8
105.03425	0.4
105.07032	1.2
107.08578	1.4
108.08867	0.5
109.02863	8.3
109.03581	0.7
109.06484	0.5
109.10157	1.0
115.03902	0.7
119.04965	0.4
119.08587	1.8
120.08899	0.5
121.06484	0.4
121.10129	1.0
123.04434	0.6
123.08042	0.5
123.11700	0.5
125.09592	0.7
127.03899	26.9
131.08578	0.4
133.10103	0.9
135.07996	0.6
135.11696	0.8
137.09624	0.5
144.06577	0.6
145.04941	55.6
146.05324	0.6
146.10472	0.4
147.04411	1.3
147.11665	0.8
149.09671	0.4
157.10123	0.4
159.11665	0.5
161.13202	0.8
162.13687	0.4
163.06000	20.9
163.11238	0.5
165.09067	0.4
169.09999	0.5
173.13246	0.5
176.11679	0.4
177.05470	0.5
177.64183	0.4
181.06975	0.4
183.93462	0.3
204.08682	0.5
205.01335	2.4
253.32806	0.4
307.21182	0.6
324.14648	1.0
325.07144	0.6
325.11093	1.1
468.31558	0.5
470.63632	0.3
486.33435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01861	2.0
57.03419	1.9
59.04988	1.1
61.02906	2.1
63.86434	0.8
66.58396	0.8
69.03070	1.3
69.03415	13.4
69.07070	1.6
70.06573	2.0
70.41883	2.5
71.00758	0.8
71.04982	6.0
73.02913	1.4
79.05464	1.8
81.03406	15.3
85.02442	1.2
85.02871	6.1
86.09687	9.6
91.05447	1.6
93.07039	2.5
97.02877	3.7
99.04443	8.6
105.07030	1.4
109.02865	5.9
109.06529	1.4
110.03163	2.2
115.03890	1.2
117.05475	1.2
118.06536	2.6
121.06480	1.6
121.10126	3.8
123.04362	1.1
123.08038	1.3
124.99953	1.8
127.03904	6.4
128.04247	2.6
135.08041	1.0
145.04941	1.3
145.07602	4.1
145.08586	1.5
147.04382	2.3
147.09138	5.1
149.09595	25.9
149.10725	1.9
154.08621	1.1
163.03876	2.5
163.08705	1.1
164.57535	0.9
167.10622	5.4
169.05003	1.3
170.05264	1.0
173.07117	9.0
174.86487	0.9
175.08603	6.6
184.07336	6.6
185.07603	1.5
187.05936	1.7
188.06316	1.4
191.08119	100.0
192.08398	1.7
192.46382	0.9
193.04970	5.3
233.09084	1.2
247.08037	2.7
248.08392	2.8
302.53342	0.9
307.12808	25.6
308.13174	1.2
325.13873	88.7
326.14142	1.0
329.15472	1.5
435.63531	1.0
451.22992	1.8
487.11273	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	486.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01863	5.4
57.03415	2.4
61.02911	1.2
63.82938	0.5
67.01842	0.9
69.03419	12.0
69.60518	4.1
71.04982	4.7
73.02901	3.1
81.03405	23.6
83.01335	0.7
85.02888	12.7
86.09683	3.4
90.74874	0.6
97.02877	39.4
99.04440	24.9
99.05099	1.2
103.03925	1.3
109.02863	100.0
110.03156	0.9
115.03902	3.9
117.05476	0.6
120.92707	0.6
121.06525	1.1
124.07578	0.6
125.00014	0.9
127.03897	53.3
127.11185	2.0
128.04208	0.6
139.03874	3.9
145.04936	17.8
145.12135	0.8
169.04938	7.1
184.07304	8.2
187.05998	26.2
187.07686	1.3
188.77548	0.6
205.07048	49.9
229.07047	4.2
236.09875	0.6
247.08099	17.6
289.09143	2.2
450.22229	0.8
486.18536	1.0
487.11899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01860	3.3
57.03418	1.9
63.53595	0.5
69.03419	4.7
69.84646	3.2
71.04980	3.1
73.02890	2.9
76.18715	0.7
81.03403	15.7
85.02877	5.1
92.76933	0.7
97.02875	35.0
99.04436	20.2
103.03915	0.9
109.02860	100.0
110.03194	1.1
117.05402	0.6
127.03896	29.6
139.39507	0.5
145.04933	21.0
169.04942	2.5
187.06003	5.3
205.07045	60.5
206.07440	1.1
229.07031	4.7
247.08086	4.5
264.87296	0.6
289.09094	0.9
418.79855	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81527	0.3
53.03936	1.3
55.01857	2.9
55.05495	0.7
57.03427	4.1
57.07062	3.3
59.04980	0.4
60.04493	0.4
61.02913	8.4
67.05487	1.1
69.03412	17.1
69.07038	0.4
69.30994	4.2
70.06567	0.5
71.01343	0.6
71.04980	2.1
71.36649	0.3
73.02897	3.1
74.18558	0.4
79.05485	0.4
81.03401	7.3
81.07044	1.2
83.01306	0.8
83.08595	0.8
84.04501	0.5
84.79025	0.4
85.02885	100.0
85.10165	0.7
86.03233	0.4
87.04450	2.6
91.03925	5.7
97.02870	27.8
98.06042	1.1
98.21432	0.9
99.04425	4.3
101.02364	0.7
103.03905	0.9
107.08612	0.6
109.02858	9.2
109.10132	9.0
109.10902	0.4
110.27638	0.4
115.03899	0.8
119.08644	0.4
121.02843	2.8
125.09510	0.4
126.05503	0.4
127.03889	31.4
127.11150	6.1
127.12005	0.6
130.48230	0.4
133.10049	0.3
137.47963	0.3
139.03880	0.9
144.06531	3.2
145.04926	56.2
145.12177	3.3
146.05267	0.4
147.04379	1.1
162.07555	2.0
163.05978	23.4
177.05466	1.1
180.08636	2.2
180.93336	0.4
204.08629	0.5
253.14069	0.6
265.06964	0.7
271.07895	0.7
271.15253	1.1
283.08017	0.7
289.09091	1.3
289.16394	11.2
302.51920	0.3
307.17474	1.4
307.92432	0.4
324.12894	0.9
325.11176	1.8
364.13315	0.4
364.17841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3255
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05505	19.5
57.07058	3.1
59.18048	2.5
65.03941	3.9
67.05511	19.2
69.03430	6.5
69.07066	17.8
71.06168	6.5
79.05479	18.0
80.26804	2.8
81.03391	3.0
81.07048	46.4
83.04980	5.4
83.08603	5.4
91.05473	24.2
93.07040	47.1
95.04955	5.8
95.08591	86.1
97.06491	2.8
97.10152	8.5
99.04455	3.1
99.70769	3.5
105.07022	55.7
107.08582	75.9
109.06496	9.1
109.10145	35.0
111.08047	5.2
115.05396	4.1
117.07003	6.6
119.08567	100.0
121.06496	9.3
121.10121	61.3
123.08028	4.7
123.11681	12.5
125.06078	3.2
128.06198	3.1
129.07022	4.4
130.07770	3.7
131.08549	22.4
133.10120	46.1
135.08070	16.1
135.11696	22.8
137.05962	5.9
137.09602	6.0
141.07045	3.1
142.07759	3.9
143.08548	25.8
144.09319	3.7
145.10110	59.2
147.08018	11.8
147.11668	33.9
149.09605	4.7
149.13269	24.4
151.07535	23.8
153.09071	4.7
155.08549	10.0
156.09308	28.4
157.10097	24.3
158.10933	4.2
159.08025	8.9
159.11685	44.2
161.09616	17.4
161.13249	25.7
163.07567	4.1
163.11151	4.5
163.14816	33.2
165.09122	4.5
169.10114	9.6
170.10844	6.5
171.11667	47.9
173.09618	13.7
173.13191	23.7
175.11172	12.2
175.14801	29.7
177.09119	7.4
177.12784	6.5
177.16364	61.1
177.17805	5.0
183.11626	13.7
185.13289	20.9
187.11169	17.5
187.14795	33.9
189.12711	27.3
189.16348	58.2
191.10706	6.2
191.14325	6.3
191.17957	28.5
193.12334	3.8
193.15781	4.5
195.11664	3.9
197.13327	11.1
199.11084	3.7
199.14819	12.1
199.47810	2.8
201.12733	16.3
201.16377	17.1
203.10704	5.7
203.14297	22.4
203.17894	27.1
205.12183	13.8
205.15979	3.0
207.13742	6.7
207.17545	4.1
211.14828	7.0
213.12750	11.8
213.16287	5.5
215.14313	16.8
215.17969	4.3
217.12256	3.6
217.15897	8.8
217.19440	3.1
219.13759	15.7
219.17476	3.3
221.15414	3.3
223.13113	5.6
225.12637	5.5
227.14374	7.1
227.17950	3.2
229.15857	13.1
231.13768	21.2
233.15294	10.7
235.13220	4.5
235.16924	6.8
243.13766	5.4
245.15388	7.7
247.16904	11.1
249.14774	16.0
251.16512	3.9
261.14832	3.7
275.16306	6.3
279.15906	11.8
293.17490	12.3
309.25964	3.2
325.21692	5.2
343.22852	5.0
361.23615	3.8
391.29807	11.5
403.29938	12.9
409.31155	19.0
419.29425	6.5
421.30997	40.4
437.30548	32.1
439.32077	57.3
449.30484	20.8
455.31479	8.2
457.33292	20.0
467.31610	35.8
470.14175	2.9
485.32690	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3257
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
50.32825	2.3
53.03938	4.9
53.68758	2.7
54.35473	3.3
55.01879	2.0
55.05513	15.9
57.07061	3.8
64.00096	2.0
65.03928	2.8
67.05494	38.7
69.03440	2.7
69.07059	20.8
70.77864	6.6
70.78219	3.3
71.04992	4.4
79.05476	25.6
81.03412	2.2
81.07050	65.2
83.04968	5.5
83.08604	6.7
85.02897	2.5
85.06526	3.2
91.05473	29.5
93.06459	3.8
93.07033	55.9
95.04945	12.4
95.08593	100.0
97.06523	9.6
97.10146	6.6
105.07019	86.1
107.04962	3.4
107.08583	61.6
109.06503	8.6
109.10142	45.4
111.08069	6.8
113.05975	5.0
115.05456	2.8
117.07005	13.1
119.08569	79.0
121.06503	6.0
121.10121	56.7
123.08068	11.2
123.11676	19.4
125.09636	5.8
128.06224	6.5
129.07008	14.9
130.07774	2.6
131.08559	55.6
133.06529	3.9
133.09096	3.4
133.10110	65.4
133.11063	4.4
135.08035	7.8
135.11673	33.7
137.09654	3.9
137.13235	4.3
139.07542	3.1
141.07100	2.8
142.07771	10.2
143.08548	34.8
144.09305	4.2
145.06544	2.3
145.10101	82.1
147.08061	7.7
147.11670	50.3
149.05945	2.5
149.09610	6.4
149.13205	18.5
151.11183	2.8
155.08562	10.4
156.09328	5.4
157.10094	46.0
157.11275	3.5
158.10915	4.3
159.08058	5.2
159.11668	65.1
161.09615	11.1
161.13231	72.4
161.14586	4.2
163.11151	7.1
163.14874	11.3
165.09094	2.7
165.12776	2.4
168.09470	2.5
169.10149	15.3
170.10951	4.5
171.11668	34.3
173.09639	6.2
173.13229	53.5
175.11179	11.1
175.14801	31.6
177.12752	7.9
177.16341	12.0
179.10681	3.9
181.10094	5.4
183.10239	4.0
183.11626	13.4
185.13232	33.4
187.11209	7.6
187.14783	45.0
189.12718	8.9
189.16354	24.4
191.10670	3.7
191.14328	5.6
191.17961	5.2
195.11674	6.3
197.13243	12.8
199.11119	6.3
199.14807	22.8
201.12723	7.9
201.16376	23.0
203.10686	2.5
203.14363	9.1
203.17947	8.3
205.12309	5.5
205.15891	8.2
207.13757	4.9
209.11610	4.3
211.11102	3.0
211.14833	7.0
213.12721	6.4
213.16304	10.8
215.10970	2.7
215.14340	12.3
215.17952	10.3
217.12195	6.4
217.15887	10.1
217.19589	2.8
219.13823	9.1
219.17345	2.9
221.15347	2.8
225.16341	6.5
227.14256	4.6
227.17967	4.2
229.15817	7.0
231.13734	11.1
233.15306	10.8
235.13150	3.5
235.16978	8.7
237.14743	5.1
239.17970	4.6
243.17421	5.3
245.15309	4.9
247.16949	9.3
249.14691	5.4
249.18524	4.6
253.19569	2.8
257.19104	2.7
259.16898	3.0
261.18481	10.4
263.16220	3.6
267.21121	3.5
275.20367	3.0
281.19275	3.8
281.22763	2.9
295.20892	2.7
297.22067	3.1
335.23773	3.1
339.23105	4.8
343.22742	5.6
351.22876	2.9
353.24652	3.1
357.24155	14.0
369.24252	8.2
375.26465	3.1
375.30624	4.1
393.31873	5.6
403.30042	20.0
411.28922	5.2
421.31091	70.7
423.32474	9.3
431.29440	11.5
439.32190	48.7
440.84677	2.6
449.30417	28.4
467.31671	43.9
485.32861	64.1
508.01355	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	485.3255
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
50.93696	3.5
50.97972	3.5
53.69671	3.5
55.05494	16.1
57.96102	3.6
67.05486	24.6
69.03409	7.3
69.07043	17.3
70.67714	12.5
71.04957	3.5
79.05456	18.2
81.07043	46.4
83.08592	9.3
91.05481	23.9
93.07024	43.7
94.23492	3.2
95.04948	11.1
95.08594	86.3
97.06523	9.1
97.25779	3.2
99.04420	5.1
99.94721	3.2
105.07012	64.5
107.08578	63.7
109.06505	12.3
109.10130	32.4
111.08041	7.8
117.07008	11.1
119.08558	100.0
121.06485	14.9
121.10133	64.6
123.08035	13.1
123.11671	9.5
125.09666	6.7
129.06976	10.4
131.08534	45.2
133.06471	4.7
133.10104	70.0
135.07973	18.4
135.11667	27.4
137.05939	7.2
137.09599	7.3
142.07652	7.7
143.08519	24.2
144.09286	4.9
145.08286	4.0
145.10089	65.5
146.87355	4.2
147.08041	10.6
147.11667	46.2
149.09607	18.2
149.13228	20.7
151.07516	21.8
151.11203	3.7
155.08499	6.7
156.09348	4.7
157.10100	32.2
159.08063	6.6
159.11664	51.1
161.09599	16.4
161.13223	38.5
163.07509	4.3
163.11111	6.7
163.14824	20.4
163.33704	3.5
165.09097	10.9
169.10089	12.0
170.10835	6.2
171.11655	28.8
173.09607	8.7
173.13226	46.9
175.11113	17.6
175.14786	36.1
177.09096	5.5
177.12717	7.4
177.16357	23.2
182.10786	5.0
183.11688	13.0
185.13243	28.1
187.11157	9.4
187.14799	82.3
189.12703	22.5
189.16316	44.8
191.14287	22.3
191.17851	13.0
197.13231	13.7
199.14822	27.7
201.12700	14.7
201.16342	48.7
203.14256	24.0
203.17952	25.0
205.12212	15.3
205.15771	7.6
207.13701	8.0
209.13213	9.6
209.15137	6.0
211.14864	6.3
213.12683	8.7
213.16333	18.3
215.14293	15.4
215.17880	9.1
217.15894	16.6
219.13742	17.1
221.15337	19.3
223.14787	7.3
225.16289	5.8
227.17931	8.0
229.15800	8.0
229.19496	5.5
231.13742	8.7
231.17337	4.2
233.15285	17.7
235.16905	13.3
239.17871	11.4
241.19429	4.9
245.15356	7.8
247.16882	18.0
249.14886	3.7
255.17661	3.9
259.16876	6.6
279.20969	4.1
325.21677	5.0
363.26678	5.2
391.29782	7.8
393.31754	4.8
403.30035	21.4
405.31561	5.0
409.30930	6.5
419.29486	5.6
421.31000	52.8
431.29276	13.4
437.30234	24.4
439.32004	53.7
441.33859	4.0
449.30484	34.5
455.31287	5.5
457.32831	4.0
467.31741	41.9
485.33398	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3255
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.22361	2.3
53.03936	2.3
55.05507	14.8
56.37147	2.4
57.07066	2.8
65.03928	3.1
67.05219	2.5
67.05499	25.2
69.03413	5.9
69.07058	14.3
71.04974	5.7
72.19936	2.3
73.51711	2.2
77.10934	2.1
79.05479	16.4
81.07040	50.2
83.04968	6.5
83.08604	9.4
85.02857	1.9
85.06517	3.6
91.05466	22.7
93.07030	37.4
95.04942	8.6
95.08594	92.5
97.06525	12.4
97.10154	4.8
99.04437	3.7
99.08092	2.1
105.07008	53.8
105.07667	4.6
107.08582	60.8
109.06508	6.5
109.10139	35.8
111.04464	5.4
111.08082	4.8
113.05984	10.5
115.05450	2.7
117.07022	6.6
119.08559	100.0
120.08970	2.0
121.06459	13.6
121.10128	58.5
121.11007	2.9
123.08038	7.5
123.11693	11.6
125.09586	2.5
126.21675	2.9
128.06198	2.8
129.06992	5.9
129.88437	2.3
131.08543	25.7
132.20973	2.1
133.06503	4.0
133.10107	52.9
135.08044	15.2
135.11664	25.1
137.05984	6.8
137.09607	4.1
138.21965	2.4
142.07764	4.3
142.09390	2.2
143.08545	19.1
144.09241	3.4
145.10097	39.4
147.08038	8.5
147.11653	33.1
149.05968	7.5
149.09589	6.7
149.13216	21.5
151.03894	4.8
151.07529	20.9
153.09065	6.3
155.08536	7.9
155.64575	2.5
156.09312	5.1
157.10104	21.4
158.10852	2.6
159.08025	8.1
159.11652	29.4
161.09628	15.3
161.13228	22.4
163.07544	6.2
163.11218	4.6
163.14801	32.2
165.09209	3.3
165.12692	3.0
165.16400	2.5
169.10069	10.6
170.10840	4.4
171.07997	3.4
171.11674	20.4
173.09607	8.5
173.13234	20.3
175.11172	15.3
175.14792	45.7
175.16245	3.6
177.09047	2.9
177.12764	4.8
177.16371	62.8
181.08589	8.4
181.10042	4.4
183.11714	9.1
185.09607	4.9
185.13223	18.9
187.11157	9.9
187.14792	27.2
189.12769	13.4
189.16362	31.7
191.14305	7.4
191.17912	18.6
193.15858	57.2
195.11658	6.3
197.13200	7.0
198.10413	3.5
199.11235	4.4
199.14806	13.5
201.12677	13.1
201.16391	14.7
203.10651	4.6
203.14304	12.8
203.17918	46.9
205.12186	12.5
205.19545	7.2
207.13715	2.9
209.13197	5.8
211.14812	9.6
213.12706	10.4
213.16370	8.4
215.14296	10.1
215.17952	7.1
217.12239	3.4
217.15846	5.8
217.19482	2.8
219.10115	2.4
219.13701	11.0
221.13271	4.2
221.15337	7.5
223.14917	3.8
225.12782	2.9
225.16388	2.7
227.14323	6.4
227.17975	4.2
229.15860	12.2
229.19499	3.6
229.39432	2.7
231.13760	19.1
231.17392	3.4
233.15340	5.9
233.31827	2.5
235.13177	5.2
235.16928	6.3
237.14665	14.0
241.15952	3.6
243.13857	4.0
245.15392	8.2
247.16873	14.9
249.14717	18.9
249.18478	11.1
251.17953	3.3
257.15347	3.5
259.16995	5.3
275.16382	4.4
295.20227	2.7
299.20221	3.5
307.20731	2.6
308.46625	2.7
309.25726	10.4
323.08594	2.3
325.21512	7.0
343.22742	2.3
351.23248	4.7
355.26270	5.2
373.29147	2.9
375.30389	4.2
385.28720	3.0
391.30069	10.9
403.29858	14.4
409.31171	12.0
419.29257	9.5
421.30939	69.1
432.85394	2.3
437.30493	17.2
439.32025	68.8
449.30338	16.6
455.31760	3.1
457.32910	6.5
467.31497	43.4
485.32764	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	485.3255
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03941	2.3
55.01852	2.8
55.05508	15.6
57.07067	5.0
59.04963	3.3
59.24478	2.3
65.03922	4.0
67.05491	25.5
68.38685	2.1
69.03421	8.8
69.07057	23.8
69.52202	7.7
69.52628	12.7
70.56017	2.5
71.01345	2.2
71.04981	5.7
79.05479	25.4
81.03381	2.2
81.07045	52.7
83.04959	7.5
83.08592	8.4
85.06538	6.7
91.05469	26.7
93.07026	48.1
95.04974	12.7
95.08591	75.2
97.02821	2.2
97.06490	15.1
97.10151	8.8
98.21478	2.8
99.04439	5.0
105.07016	76.6
107.08582	78.6
108.94838	2.9
109.06501	9.1
109.10135	42.3
111.04433	2.4
111.08071	4.0
113.06025	11.5
117.06998	11.9
119.08561	100.0
121.06504	8.4
121.10125	60.7
123.04446	5.4
123.08029	7.0
123.11671	13.0
125.09592	4.4
128.06250	3.2
129.06958	5.1
130.05005	2.6
131.08556	36.0
133.06467	6.9
133.10117	57.1
135.08029	17.2
135.11681	27.9
137.05933	5.2
137.09601	4.2
137.13254	3.3
139.03896	4.0
141.06993	3.4
142.07748	4.9
143.08531	20.5
144.09317	3.6
145.06422	4.8
145.10109	51.5
147.07957	9.3
147.11665	41.4
149.06027	4.9
149.09602	7.1
149.13228	29.2
151.03864	2.5
151.07487	11.0
153.08940	2.9
155.08476	12.1
156.09361	6.5
157.10097	30.3
158.10852	3.1
159.08041	6.8
159.11685	46.5
161.09624	13.9
161.13217	23.4
163.07538	15.0
163.11148	6.8
163.14809	37.4
165.09091	9.5
165.12717	4.8
167.10706	2.4
169.08888	2.4
169.10118	14.1
170.10835	9.4
171.11687	21.9
173.09569	8.4
173.13222	27.1
174.10458	3.3
175.07535	3.2
175.11198	14.3
175.14799	62.8
177.09018	3.0
177.12746	7.1
177.16347	57.8
181.08592	9.2
181.10071	5.4
182.10881	3.3
183.11627	13.3
185.09584	4.0
185.13205	21.7
187.11151	10.0
187.14795	55.0
189.09100	4.9
189.12720	12.8
189.16344	37.0
191.10606	3.6
191.14302	10.5
191.17903	31.9
193.12216	3.1
193.15862	75.0
195.11699	7.8
197.13228	11.3
199.11179	4.9
199.14745	14.8
201.12724	9.8
201.16374	22.8
203.14413	17.0
203.17915	65.5
205.12274	5.7
205.15771	5.9
207.11600	2.6
209.13257	6.2
211.11183	4.4
211.14766	9.9
213.12721	10.7
213.16412	9.2
215.10678	3.5
215.14311	9.3
215.17909	8.6
217.12294	4.6
217.15839	7.4
217.19347	3.5
219.10103	7.5
219.13766	9.4
221.13353	4.8
221.15326	9.5
223.14854	6.2
225.16321	4.3
227.14310	9.2
227.17952	6.4
229.15799	9.9
229.19315	2.9
231.13789	14.2
231.17393	3.5
233.15350	10.0
235.13268	7.7
235.17020	5.2
237.14680	4.4
239.14336	3.2
239.18007	3.8
241.15857	3.9
241.19429	3.7
245.15431	12.0
247.16945	18.1
249.12721	2.7
249.14793	17.2
249.18468	4.8
253.19453	2.8
255.17484	2.6
259.16934	8.1
261.18518	2.8
263.16351	4.4
265.17990	7.1
271.16776	3.1
279.21155	3.7
291.20895	2.9
309.25732	11.3
325.21521	3.4
343.22925	3.9
352.39767	2.9
355.26117	6.5
375.30463	5.3
385.28891	4.2
391.29938	9.4
403.30066	21.0
409.30859	6.1
419.29294	4.4
421.30991	69.9
423.32541	6.4
425.26486	5.9
431.29636	4.5
437.30243	14.0
439.26300	4.6
439.32028	75.0
440.32187	3.2
449.30545	15.1
455.31650	5.6
457.32748	11.9
467.31757	42.5
485.32898	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3257
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.03926	2.0
55.01863	3.4
55.05503	11.0
56.38821	1.4
57.03428	2.1
57.07063	3.8
59.04969	2.1
66.56068	1.5
67.05495	17.6
69.03410	3.7
69.07056	16.0
71.04974	5.0
79.05484	16.6
81.03415	2.5
81.07038	30.8
83.04961	6.9
83.08597	5.0
85.02887	2.9
85.06545	3.5
91.05455	24.5
93.07024	30.1
95.04966	8.5
95.08591	41.5
97.06526	10.9
97.10173	2.0
98.20724	5.6
105.07013	42.0
106.07304	2.3
107.04925	3.2
107.08578	40.0
109.02870	2.2
109.06477	9.5
109.10130	30.7
111.04420	3.4
111.08052	4.8
113.09634	2.4
117.07005	9.0
119.04884	1.9
119.08556	49.8
121.06479	6.0
121.10120	24.2
123.04419	3.9
123.08043	6.8
123.11675	7.4
125.06000	2.3
125.09604	5.8
127.11150	3.6
129.06998	9.3
130.07820	2.0
131.08548	29.0
132.08914	1.9
133.06450	3.7
133.10118	33.9
135.08008	6.6
135.11652	15.5
137.09598	3.1
137.13313	1.8
139.03831	12.1
139.07527	2.3
141.06920	2.7
142.07753	4.5
143.08543	22.1
143.10634	2.6
144.09319	2.4
145.10094	36.6
147.08035	5.3
147.11665	20.4
149.09590	7.7
149.13249	11.1
151.03918	1.7
151.07571	2.9
151.11169	2.3
153.08998	3.0
155.08517	8.9
156.09308	3.8
157.10091	24.8
159.08026	3.5
159.11667	24.3
161.09608	8.2
161.13197	13.6
163.03900	2.7
163.11150	4.8
163.14810	8.4
165.09090	2.8
165.12759	2.5
168.09155	2.3
169.10103	14.0
170.10826	2.7
171.08008	2.2
171.11667	15.5
173.09599	4.8
173.13217	20.0
175.11171	7.6
175.14783	16.6
177.12672	5.2
177.16365	7.9
179.10658	1.9
181.10078	4.5
182.11002	1.8
183.11661	11.9
185.09599	3.5
185.13219	13.7
187.11111	6.5
187.14778	20.5
189.12709	6.8
189.16362	15.2
190.16779	1.9
191.14319	2.6
191.18036	2.4
193.10295	1.6
194.10907	1.8
195.11670	6.9
197.09596	2.1
197.13217	8.3
199.11110	3.3
199.14815	9.3
201.12714	5.6
201.16376	11.9
203.14262	6.6
203.17926	6.7
205.10236	2.1
205.12242	3.5
205.15874	1.8
207.11696	2.3
207.13687	2.2
209.13200	6.1
211.11082	2.1
211.14774	6.9
213.12704	4.9
213.16371	7.2
215.10725	2.1
215.14320	7.7
215.17928	7.9
217.12222	3.6
217.15776	5.9
217.19485	1.6
219.10118	7.3
219.13747	2.6
221.13345	4.2
221.15312	2.4
223.11140	2.5
223.14931	3.2
225.12650	2.3
225.16344	3.8
227.14244	5.0
227.17889	3.0
229.15814	2.8
229.19386	4.1
229.68829	2.3
231.13795	2.9
231.17393	2.2
233.15283	6.7
235.14857	3.1
239.14319	2.7
239.17896	3.4
241.15916	2.6
245.15433	2.5
247.16881	4.8
249.16483	2.6
251.18022	3.7
253.19485	3.5
255.17389	2.2
255.21156	2.1
257.15396	3.0
257.18735	2.2
265.19455	2.1
267.17761	1.7
269.22641	2.3
273.18616	2.2
275.16260	2.7
277.19357	2.6
279.21017	2.2
287.19965	1.8
295.20663	2.2
297.22131	2.1
307.20917	2.2
341.20871	2.3
343.22479	2.7
373.28885	2.0
381.23883	3.4
385.28574	2.6
391.29794	4.8
403.30191	7.8
405.31659	2.3
419.29242	4.6
421.31210	20.0
423.32590	2.5
431.29337	4.4
437.30353	9.1
439.32208	23.9
441.33459	2.2
449.30542	14.1
467.31952	25.1
485.32822	100.0
486.32974	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	485.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72452	0.8
55.05500	4.8
57.03429	6.8
57.06779	1.4
57.07063	26.2
67.05486	7.4
69.03414	1.0
69.07050	6.6
69.27880	6.0
69.28297	3.0
71.08617	22.8
79.05482	1.9
80.08611	0.8
81.07043	10.3
83.04977	0.9
83.08609	6.0
85.06531	0.9
85.10159	12.6
86.06013	0.9
87.04423	2.0
89.06017	17.1
91.05451	4.8
93.07003	4.2
95.04928	1.2
95.08030	1.4
95.08588	13.8
97.10128	3.7
98.21548	1.4
98.98447	6.0
99.08062	1.2
101.37227	0.8
103.05419	1.2
105.06998	2.9
107.04895	0.9
107.08566	2.0
109.10121	6.7
111.08072	1.0
117.06985	1.3
119.08553	3.1
121.06481	11.3
121.10106	1.9
123.08055	0.9
123.11652	2.3
131.08560	1.6
133.08571	11.4
133.10114	1.4
135.08035	1.3
135.11655	1.2
137.13226	1.2
137.42900	0.8
143.08551	1.1
145.10069	1.6
147.08012	1.8
147.11642	0.8
149.09572	1.5
155.00975	3.8
155.08578	1.0
157.10066	1.5
159.11684	1.8
163.11076	1.3
163.14827	1.1
165.09090	6.5
175.14786	0.8
177.11197	3.0
197.97673	0.9
209.11671	2.1
239.23607	1.3
244.77666	0.8
247.05975	0.9
247.20558	2.8
257.24658	1.5
291.23230	5.6
313.27301	100.0
314.27634	3.6
335.26071	1.3
359.20563	4.0
382.58243	0.9
449.26599	2.7
467.31433	2.1
485.32193	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	485.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.03427	4.5
57.07069	25.4
67.05502	5.7
69.03429	0.5
69.07058	5.3
69.35401	5.9
71.04996	0.7
71.08618	16.6
79.05485	1.6
81.07051	7.7
83.04956	0.6
83.08611	5.4
85.02926	0.5
85.10174	10.5
86.06237	0.6
87.04446	1.9
89.06029	1.1
89.77143	0.6
91.05462	1.3
93.07039	2.2
95.08586	11.6
97.06505	0.5
97.10149	3.5
98.98450	19.3
105.07015	2.2
107.08553	1.5
109.10146	6.1
116.99468	1.0
117.06979	1.0
119.08541	1.8
121.10118	1.3
123.11686	1.8
131.08562	1.2
133.10089	1.4
137.13144	0.8
140.23518	0.5
143.08472	0.7
145.10088	2.0
145.26572	0.6
147.11662	1.3
148.00012	0.6
149.09581	0.8
149.13197	0.8
155.01018	11.1
159.11716	0.6
163.07449	0.8
171.11668	0.6
173.02100	2.2
173.09485	0.5
173.13135	0.7
175.14740	0.6
187.14761	1.0
211.03638	0.8
233.15367	0.6
239.23650	1.3
247.05588	1.3
313.27328	100.0
314.27628	4.5
369.80191	0.6
393.23816	2.2
403.29910	0.7
413.09952	1.5
421.31247	1.2
449.26593	7.7
449.33240	0.6
449.34811	0.5
467.31265	1.0
485.12244	2.3
485.32416	12.8
486.33670	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3254
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05500	12.5
55.21173	3.2
57.92793	3.1
67.05508	18.9
69.07049	14.9
69.33205	29.6
72.39473	3.7
79.05462	15.0
81.07051	48.8
83.04984	3.9
83.08598	8.8
91.05451	22.2
93.07018	35.7
95.04937	8.1
95.08587	61.5
97.06523	4.7
97.10162	5.8
99.04404	7.2
101.85246	3.9
104.62669	3.0
105.07025	46.8
107.08575	57.9
109.06523	8.1
109.10126	30.1
111.08021	4.8
117.06989	13.7
119.08558	100.0
121.06454	10.4
121.10119	40.3
123.08006	10.3
123.11679	9.8
125.09685	3.8
128.06151	4.6
129.06969	12.0
131.08546	45.4
133.10112	52.8
135.08043	17.3
135.11676	22.3
137.05939	5.7
137.13152	4.8
141.06902	3.5
142.07768	7.4
143.08571	19.6
145.06442	4.2
145.10089	58.2
147.08017	10.5
147.11670	38.9
149.09576	11.8
149.13243	17.4
151.07559	22.3
153.09119	4.9
155.08487	4.9
156.09315	5.4
157.10110	30.9
158.10912	4.0
159.08047	6.9
159.11673	40.9
161.09596	13.8
161.13246	26.5
163.11198	8.6
163.14767	20.9
165.09087	12.0
167.08498	3.8
167.10643	3.9
169.10110	14.4
170.10838	3.9
171.11687	21.7
173.09612	9.5
173.13240	36.1
174.10323	4.9
175.11203	16.6
175.14804	40.3
177.09041	7.4
177.12692	10.0
177.16388	14.9
181.10146	4.6
183.11641	10.2
185.13184	27.1
187.11201	9.7
187.14778	72.2
189.12721	22.4
189.16354	35.2
191.10625	3.7
191.14288	15.5
191.17876	9.7
191.52737	3.2
195.11569	5.4
197.13145	16.5
199.14796	23.4
201.12708	11.2
201.16364	46.3
203.14244	19.7
203.17967	21.7
205.12216	9.1
205.15852	5.3
209.13234	5.6
211.14778	11.6
213.12740	4.2
213.16377	19.1
215.14288	12.3
215.17802	6.2
217.15833	14.4
219.13773	11.2
221.15334	10.8
223.14809	4.0
225.16414	4.5
227.17834	5.9
229.15794	8.0
229.19415	6.2
231.13809	7.8
231.17390	4.1
233.15317	10.9
235.16919	12.5
239.14267	3.8
239.17815	5.7
241.19446	5.2
245.15308	9.9
247.16878	13.3
253.19472	6.7
259.16895	11.0
385.28802	6.2
391.29791	11.5
393.30862	4.3
403.29990	22.2
405.31082	4.1
409.30963	9.7
411.32620	3.6
421.30969	52.1
423.32297	4.2
431.29324	9.8
437.30457	17.2
439.32004	45.0
449.30615	26.8
455.31290	4.9
467.31622	32.2
468.31662	4.4
485.33133	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64467	1.7
53.03929	5.5
55.01861	4.7
55.05503	21.1
57.03424	7.1
57.07067	5.3
59.04983	4.0
61.02902	5.5
65.03921	4.3
67.05162	3.0
67.05497	31.7
69.03419	26.2
69.07060	30.1
71.04986	25.6
71.17417	4.6
73.02906	2.6
79.05479	32.0
81.03413	19.2
81.07047	100.0
83.04983	14.7
83.08627	14.3
85.02892	41.2
85.06524	10.1
87.00790	7.1
87.04443	3.2
89.03918	2.4
91.05468	42.5
93.07031	61.6
94.07301	2.1
95.01313	20.5
95.04943	12.8
95.08596	65.5
96.01656	4.2
97.02886	18.3
97.06532	14.5
97.10162	15.1
99.04462	9.4
99.08076	12.2
103.05471	2.2
105.01842	7.2
105.03367	5.1
105.07017	96.1
107.04944	4.9
107.08581	67.7
109.02870	13.7
109.06500	14.4
109.10144	46.5
111.04428	5.4
111.08090	11.1
111.11702	6.0
113.06019	2.3
113.09636	4.2
115.03907	6.5
115.05400	3.2
117.03342	5.9
117.06999	9.2
119.04931	4.4
119.08566	70.1
121.02853	5.9
121.06486	8.6
121.10127	52.5
122.10442	2.6
123.04392	6.0
123.08096	11.4
123.11691	33.2
125.09620	40.4
127.03894	19.0
127.07523	11.3
127.11172	6.9
128.06221	3.3
129.05479	2.4
129.06972	7.9
130.07774	3.2
131.08556	21.6
132.08890	1.9
133.06461	2.4
133.10112	94.8
135.08054	8.0
135.11671	24.9
137.05951	7.5
137.09575	12.0
137.13239	5.3
139.03879	4.3
139.07449	2.5
139.11143	12.0
141.06937	2.5
141.09044	3.4
142.07756	3.9
143.08603	11.4
143.10637	19.7
144.09308	2.4
145.02852	15.5
145.04915	8.5
145.10095	39.9
147.04408	12.1
147.08060	6.7
147.11667	64.7
148.04707	2.7
149.05933	3.6
149.09570	13.5
149.13246	22.5
150.09900	2.4
151.07480	2.6
151.11143	7.1
151.14871	2.2
153.12753	2.8
155.08553	3.7
156.10164	8.0
157.10106	20.0
157.12201	3.0
159.08043	4.4
159.11676	38.0
161.09595	16.7
161.13235	22.7
163.03889	3.8
163.07529	3.4
163.11174	6.5
163.14766	9.3
165.05478	20.6
165.09076	3.2
165.12755	6.9
166.05856	10.1
167.07173	2.3
167.10643	5.5
169.10123	5.5
170.10860	2.3
171.11633	11.2
173.09584	5.1
173.13254	20.9
175.11160	8.6
175.14809	16.1
177.05441	45.1
177.12703	4.6
177.16333	8.1
178.05789	2.5
179.10680	4.7
181.10065	2.3
183.11656	5.8
185.09644	3.8
185.11748	1.9
185.13240	11.4
187.11169	3.4
187.14780	17.0
189.12740	8.1
189.16373	9.0
191.10623	3.7
191.14278	7.4
193.12206	2.8
193.15871	3.7
195.11694	3.9
197.13336	4.2
199.11253	2.7
199.14857	9.8
201.12727	2.6
201.16362	29.5
203.14296	6.7
203.17935	17.2
205.12224	2.7
205.15924	2.7
207.10103	3.5
207.13708	3.8
209.11624	2.5
209.15300	3.2
211.14822	3.7
213.12740	4.2
213.16357	5.9
215.14383	5.2
215.18001	3.7
217.15857	5.1
219.13858	4.2
219.17412	37.0
221.15292	3.1
221.19043	4.7
223.16873	2.4
227.14311	3.3
227.17859	4.6
229.15977	4.6
229.19456	4.6
231.17354	6.1
231.20940	2.1
233.11673	3.3
233.15384	3.1
237.14883	2.7
237.18433	6.7
239.14157	2.4
243.17368	3.6
245.15294	2.5
247.04498	2.6
247.16957	5.7
257.15244	2.7
259.09604	2.7
259.16849	3.1
261.18524	2.7
265.17923	4.5
287.23581	5.7
305.17578	3.4
305.24615	14.1
306.17743	7.6
323.25754	4.4
391.29980	4.1
403.30185	2.8
421.31186	11.8
431.28555	5.8
437.30283	2.7
439.32245	22.4
449.30063	7.0
467.24652	4.4
467.31046	10.6
485.17651	2.7
485.32825	28.4
503.34283	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.249
Annotation	Unknow
Peak:m/z	Relative Intensity
60.50335	0.5
61.76354	0.5
64.68478	0.5
67.05485	1.3
69.03424	2.5
69.67800	0.8
69.68207	2.8
69.76954	0.5
70.06557	0.5
73.95990	0.5
74.02395	0.9
81.03384	1.4
83.04968	1.2
85.02902	2.4
88.40465	0.5
91.05421	0.9
95.04940	1.3
95.25092	0.5
97.02866	1.8
98.97547	0.8
99.00800	2.2
107.04905	1.2
109.02852	2.8
111.04419	2.8
115.05429	1.0
115.10294	0.5
117.06982	0.8
118.06532	16.6
119.04905	1.0
120.93220	0.5
121.02853	2.9
123.04384	1.2
125.37030	0.5
127.03878	1.8
129.05466	0.9
130.06540	1.1
132.08052	5.8
135.04362	0.5
137.05983	0.7
137.25539	0.5
139.03859	1.4
142.06496	1.4
143.07288	2.4
144.08070	10.2
145.06445	0.8
146.05988	54.8
147.04399	3.7
147.06334	2.0
153.05420	1.0
155.03366	1.1
159.09143	5.3
160.07584	0.9
163.03862	0.7
170.05977	3.8
188.07039	100.0
189.07387	2.9
190.07500	1.0
205.09694	49.7
206.09944	1.0
227.05438	0.8
237.84494	0.6
248.82304	0.6
263.10294	0.8
269.85583	0.5
273.05997	3.6
305.14709	1.2
323.12329	1.9
413.20932	0.6
467.16620	0.8
475.11157	0.5
485.17456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	5.5
53.90569	3.6
54.37668	3.2
56.96548	4.8
57.03414	11.6
58.99859	4.5
61.02911	9.1
64.48277	3.6
69.03418	35.8
70.06563	12.1
71.04961	8.2
71.61450	6.0
73.02904	5.4
77.00881	6.2
77.46059	3.5
78.93053	3.3
79.05465	4.2
80.31379	3.2
81.03398	13.8
83.04948	4.2
85.02412	6.2
85.02891	74.6
85.06516	5.3
86.09695	4.4
87.04456	7.2
91.03959	6.6
91.05452	16.4
93.07030	3.3
95.01317	4.1
95.04962	5.3
97.02870	34.4
98.97557	9.4
99.04427	9.4
99.08079	6.8
101.00860	17.7
104.68906	4.3
105.07041	24.6
107.04917	8.5
109.02856	13.6
111.04419	4.8
112.07589	6.9
115.02395	4.2
115.05453	4.5
116.07060	5.4
116.98609	9.1
117.03996	4.6
119.01122	6.8
119.01909	87.7
119.04913	16.8
121.01626	5.2
121.02811	20.2
121.06490	48.9
122.06818	14.2
123.04480	6.5
123.05517	29.8
127.03916	27.4
128.98523	4.5
131.01897	22.7
131.04884	6.1
133.03458	8.6
133.06480	25.4
135.04402	9.3
136.06136	5.3
136.07570	9.0
136.64891	4.0
137.03003	20.4
137.05940	12.7
138.09114	14.6
139.09465	5.8
143.01872	30.2
145.01636	5.1
145.03535	23.5
145.04918	15.7
147.01332	13.0
147.04285	24.3
149.02960	6.0
151.07454	4.0
155.01877	13.2
157.03438	36.0
160.07568	6.2
161.02925	62.2
161.05905	41.5
162.03120	4.0
162.05473	7.1
163.03752	26.0
163.07512	4.2
164.04214	5.6
167.07033	26.1
169.03450	10.7
171.01494	3.9
171.04991	11.0
173.02940	38.2
173.06546	4.2
175.04355	15.6
175.08557	4.2
177.00676	4.5
177.02307	4.0
177.05548	3.8
180.07779	7.4
181.03427	5.6
181.08543	7.2
183.05038	10.9
184.04758	3.8
185.03018	21.5
185.04489	4.6
185.06601	8.8
187.04459	15.3
189.02390	14.1
189.06033	8.2
190.04880	8.0
191.05530	5.6
193.03531	4.8
193.08589	19.8
195.05005	4.3
197.02985	6.7
197.06491	5.5
199.04477	12.8
199.08229	5.0
201.06033	13.3
203.03989	16.3
203.05685	7.4
203.07579	8.3
205.03511	5.5
206.04184	6.7
207.03307	5.9
207.04976	8.9
209.06479	7.9
211.04482	12.0
211.06384	5.0
213.06032	10.6
215.00322	10.9
215.07510	7.2
217.05547	4.3
217.09167	8.8
219.01767	4.6
219.05043	9.2
221.02876	5.1
221.04790	47.1
221.06662	15.2
223.04562	9.7
223.06625	14.3
224.05174	8.8
225.06087	14.2
227.07404	5.9
229.05573	11.4
229.09154	6.8
231.03348	26.9
231.07048	6.3
231.99417	4.0
232.58437	6.2
233.01308	6.3
233.06537	37.1
235.04437	20.9
235.06483	5.0
237.02791	6.0
237.06126	11.0
239.03839	10.0
241.05428	5.1
241.07622	8.6
243.06816	12.6
243.83174	3.7
245.04991	12.2
247.04578	10.8
249.06371	6.4
251.07645	8.7
253.05598	9.4
255.07077	12.6
257.05029	10.3
257.08578	5.8
259.06613	6.2
260.05167	4.1
261.06183	6.5
263.07562	4.9
265.05261	5.0
265.07709	9.8
266.06415	6.9
267.07367	4.6
273.08331	27.3
274.08456	4.5
275.09741	8.4
277.05463	12.2
279.07217	4.1
281.08594	11.4
284.07526	5.2
287.09784	9.4
290.06296	5.3
291.06833	4.9
293.05637	4.6
293.10822	16.3
295.06708	9.9
297.08194	5.1
303.03299	18.4
303.09274	10.4
305.05127	6.8
305.10880	24.3
307.06409	4.8
309.08224	11.9
310.03540	4.3
317.10092	5.2
319.12323	32.4
321.04465	9.3
321.10718	19.0
323.06155	11.1
333.06827	16.5
333.10492	7.4
337.09842	13.6
339.09052	6.1
341.01968	6.5
345.08081	9.7
351.09152	19.1
355.08725	15.1
357.08185	12.6
363.09128	12.9
365.07013	20.0
367.10669	6.7
369.10114	7.6
373.09656	7.6
375.04660	7.1
375.09201	100.0
381.10284	8.0
383.07718	8.0
393.10300	45.5
411.11298	4.5
441.12372	5.3
443.03601	5.1
467.10132	9.8
467.16089	7.4
485.10394	25.3
485.17242	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	484.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11024	0.9
51.32010	0.8
52.91197	0.8
53.03942	1.1
55.01865	1.8
55.05492	1.8
56.27231	0.8
57.03424	5.7
57.07059	2.7
59.30882	0.8
61.02918	3.5
63.60898	0.7
67.05488	5.1
69.03424	10.8
69.07060	3.6
69.90754	3.6
71.01331	1.4
73.02907	15.8
79.05481	7.0
81.03412	1.8
81.07043	100.0
85.02891	25.9
87.04455	3.7
93.07039	2.1
95.07977	1.6
95.08589	33.4
97.02876	21.0
99.04446	0.9
103.03915	1.1
104.38406	0.8
107.62258	0.8
109.02876	2.2
109.10163	3.0
112.64014	0.9
115.03912	13.4
123.11685	1.2
127.03892	9.3
133.04945	21.1
137.13235	65.9
138.13594	1.3
142.87198	0.8
145.04939	14.3
155.14270	5.2
163.05997	10.5
186.23857	0.8
208.52827	0.9
217.06993	1.3
218.55139	0.8
223.06012	2.1
241.07143	3.2
251.16455	1.4
259.08124	10.7
277.09167	2.5
295.10217	14.0
317.19537	1.3
321.48352	0.9
420.79706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
67.63490	0.6
70.09988	2.9
70.10404	1.2
78.51804	0.9
80.94043	0.5
88.33833	0.6
111.51099	0.6
216.98776	1.1
219.01956	1.5
222.98010	0.8
234.99942	4.7
240.98909	1.5
250.97742	0.9
253.00980	1.6
258.99969	20.0
260.00000	2.5
260.99780	1.9
261.02979	5.1
262.03217	0.9
263.02463	0.7
264.98996	2.0
274.97641	1.5
276.97620	2.8
277.00967	22.6
278.01096	2.7
279.00833	1.2
282.99951	47.3
284.00079	5.1
284.99792	3.2
294.98724	1.3
298.97665	1.2
301.01007	100.0
302.01160	11.0
303.00732	5.7
316.98868	3.1
317.99130	1.5
318.98584	4.9
319.02103	7.9
320.02371	1.1
324.02579	3.5
358.96576	1.4
359.00409	1.3
360.00162	0.8
360.99823	4.4
364.99384	1.0
401.01303	4.7
402.01297	1.0
403.00772	1.6
406.99854	6.9
408.00204	0.8
418.98178	0.8
419.98135	1.5
420.97519	0.8
425.01114	28.2
426.01416	2.6
427.01035	0.8
443.02280	94.1
444.02460	11.8
445.01987	4.9
446.02319	0.8
460.99106	4.8
466.03784	6.6
467.02875	2.5
468.03232	0.7
484.99866	9.9
485.27863	1.0
486.00073	1.8
502.98911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52679	0.4
55.01848	0.9
57.03411	1.1
58.99833	0.9
60.79724	0.5
61.02916	0.8
69.03412	3.3
71.60691	0.6
71.61056	0.7
73.02904	1.0
73.54765	0.5
77.00886	0.8
81.03420	1.1
82.99865	1.0
85.02888	6.7
85.95151	0.6
96.30357	0.5
96.41071	0.5
97.02868	2.4
98.97555	1.0
101.00858	6.2
103.02427	0.7
115.02431	1.1
119.01898	21.3
120.95427	0.7
121.01622	0.8
121.02823	2.0
121.06456	1.5
122.06841	0.7
127.02364	1.1
127.03882	2.8
131.01871	4.8
133.03432	2.4
137.02928	2.4
137.05966	1.4
138.96407	1.3
139.02417	1.7
143.01877	7.8
145.03462	7.4
145.04991	1.4
147.01309	0.7
147.03206	1.3
149.02921	1.0
155.01840	3.5
156.97447	9.0
157.03436	15.4
159.05060	1.4
161.02953	9.7
163.02606	1.2
163.04503	1.7
167.07030	0.7
171.05046	1.0
173.02934	4.4
174.98512	9.8
175.02901	1.0
175.04520	7.0
177.05948	1.2
180.97504	2.2
181.05585	0.7
183.05011	2.1
185.02916	1.7
187.02856	1.2
187.04385	1.1
191.03839	0.7
193.03546	0.6
193.05519	0.6
194.99013	3.1
198.98491	25.0
201.06056	12.9
203.02228	1.1
203.03984	2.3
205.05542	4.9
210.98416	0.8
211.06543	1.0
213.00056	21.1
213.06027	4.0
215.07637	1.3
216.99577	7.6
219.07039	3.6
221.03249	1.1
221.05023	4.9
221.06711	0.8
223.06575	17.5
224.06821	0.6
225.00076	2.1
225.06081	1.5
231.01123	3.7
231.03485	1.9
231.07066	2.9
233.06624	1.4
235.04448	0.7
235.06607	1.9
236.01599	1.2
237.00032	0.7
239.04176	1.1
241.07610	5.7
243.07132	4.0
245.05107	2.5
247.04741	2.3
247.06657	2.5
249.08203	0.8
253.05522	0.6
255.07057	0.7
257.08740	1.0
259.06677	1.4
261.08170	1.3
263.06232	0.7
265.05057	1.1
265.07681	16.2
275.09738	2.3
277.05197	0.7
277.07797	1.5
277.11356	1.3
279.09253	0.8
285.02124	4.0
285.08145	0.7
303.03210	100.0
303.08835	22.8
304.03348	1.9
305.10693	6.9
319.08679	1.5
321.04266	51.5
321.10040	12.0
322.04480	1.2
323.11935	3.7
325.09882	0.7
337.09753	7.8
344.05762	3.5
344.12039	0.8
351.11285	1.8
355.08636	0.7
365.08771	0.8
365.13004	5.6
367.10693	5.6
368.10831	0.7
375.09314	0.8
387.13428	7.2
394.14835	0.6
467.16476	1.1
485.11417	6.2
485.18008	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	483.3101
Annotation	Coronalolide
Peak:m/z	Relative Intensity
53.03937	2.2
55.01862	1.8
55.05506	9.3
57.03411	2.1
57.07062	2.3
59.04990	1.7
65.03922	1.7
67.05495	13.1
69.03420	3.9
69.07056	12.5
69.37316	8.0
69.37743	3.6
71.04981	2.2
71.08628	1.6
79.05485	13.2
81.03423	1.7
81.07042	26.6
82.33224	1.1
83.04973	4.5
83.08624	4.3
85.02901	4.3
85.06532	1.7
91.05466	17.9
93.07035	22.8
95.04946	7.5
95.08597	32.9
97.02902	4.0
97.06515	15.5
97.10159	2.2
98.21469	3.1
99.04428	2.1
99.08092	1.8
105.07018	33.1
107.04980	2.9
107.08577	34.1
107.09283	2.1
109.06495	9.6
109.10139	20.2
111.04424	36.8
111.08083	3.2
115.05473	1.9
117.07005	7.7
119.08565	100.0
121.06495	5.4
121.10121	25.7
121.21665	1.0
123.04446	2.8
123.08063	5.2
123.11661	6.7
125.06034	1.4
125.09611	3.5
127.03902	2.4
128.06242	4.3
129.05472	5.4
129.06963	7.1
130.07761	1.4
131.08565	23.4
133.06512	3.0
133.10109	39.1
135.08025	7.8
135.11647	10.6
137.05942	2.1
137.09647	2.8
137.13268	1.8
139.03885	33.3
141.07022	5.2
142.07745	6.7
143.08539	20.7
144.09357	3.7
145.06465	3.0
145.10110	34.5
147.04372	1.4
147.08012	7.0
147.11658	23.0
149.06033	2.3
149.09604	6.2
149.13231	10.3
151.07538	2.8
153.06941	1.4
153.09134	3.6
155.08556	10.7
156.09355	4.7
157.06511	1.6
157.10103	20.3
158.10831	2.1
159.08075	8.2
159.11673	26.0
160.12151	1.9
161.05960	2.2
161.09561	7.1
161.13226	13.2
163.03889	13.3
163.07605	1.8
163.11151	3.1
163.14796	14.6
163.15891	1.3
165.07050	1.7
165.09113	1.6
167.07088	1.4
167.08530	2.1
167.10738	1.5
168.09348	2.8
169.10129	9.5
170.10851	3.0
171.06784	1.2
171.08095	4.5
171.11652	17.3
173.09593	7.3
173.13216	13.6
175.11247	5.8
175.14816	13.3
177.09140	3.8
177.12692	1.9
177.16365	14.1
179.07072	1.6
179.08554	2.7
181.10092	3.3
183.11673	12.4
185.09578	5.7
185.13255	11.9
186.10286	1.4
187.11223	7.3
187.14783	28.7
189.09081	2.8
189.12764	4.9
189.16359	40.3
191.10704	2.9
191.14310	2.0
191.17897	2.5
193.10114	2.4
193.15862	2.3
194.10846	1.3
195.11607	5.5
197.09631	1.8
197.13268	6.0
198.10393	1.1
199.11159	10.4
199.14758	5.9
201.09138	2.0
201.12697	12.5
201.16344	15.7
201.17990	1.4
203.10713	2.8
203.14436	4.2
203.17921	23.6
205.12234	2.1
205.19553	1.6
207.11887	1.6
207.17459	2.2
209.09656	1.4
209.13365	2.8
211.11266	4.4
211.14893	4.1
212.15236	1.4
213.12750	6.6
213.16331	10.9
215.14308	3.9
215.17984	4.5
217.12311	3.3
217.15947	1.6
217.19527	2.2
219.13789	2.9
221.13379	2.1
223.14919	2.7
225.12819	2.1
225.16339	2.7
227.14354	3.1
227.17912	2.5
229.12231	4.1
229.15959	1.8
229.19516	1.4
231.13777	6.1
231.17493	1.3
233.15401	1.4
235.13257	2.1
235.16965	5.2
237.16508	2.4
239.14360	1.8
239.17990	4.3
241.15810	1.7
241.19562	3.5
243.13879	5.0
245.15344	5.6
247.13222	3.0
247.17041	2.4
249.14958	3.7
249.18500	7.8
253.19504	2.1
257.15524	2.3
259.16980	1.9
261.14850	1.8
263.16293	2.0
265.19577	1.6
267.21158	3.9
269.22684	1.4
275.20355	1.6
279.21057	1.2
297.14575	1.6
309.25748	13.2
310.26456	1.1
315.16013	1.4
339.23276	1.6
341.21222	2.7
355.26358	3.8
389.28488	4.1
391.30112	3.8
401.28537	4.8
407.29517	1.8
417.28146	1.5
419.29428	15.8
421.31171	3.0
435.28894	15.7
437.30594	31.7
438.31021	2.3
439.31979	11.4
447.29065	5.8
453.29987	2.9
455.31396	2.1
465.30045	18.9
483.31119	74.4
484.31754	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93995	1.4
53.03930	3.9
55.01854	2.1
55.05500	10.7
57.07057	3.8
65.03939	1.6
67.05486	18.9
68.33043	1.9
69.03413	7.4
69.07063	19.4
70.87911	2.6
70.88238	2.8
71.04957	2.5
79.05477	20.7
81.03413	2.4
81.07043	38.8
83.04953	6.3
83.08600	5.9
85.02870	2.9
85.06525	1.9
91.05453	23.6
93.07030	39.4
95.04954	6.2
95.08589	50.3
97.06493	11.4
99.04439	13.2
99.08118	1.8
103.05423	3.1
105.07015	73.9
107.08575	54.7
109.06502	9.9
109.10132	19.3
111.04404	3.3
111.08051	5.1
115.05421	3.9
117.06995	14.2
118.07781	2.1
119.08561	100.0
121.06467	7.7
121.10119	35.6
123.08060	8.4
123.11682	7.2
125.05982	3.1
125.09554	2.2
127.07543	4.4
128.06171	4.9
129.06995	8.4
130.07819	2.9
131.08549	53.2
133.06577	2.3
133.10115	47.3
135.08038	17.3
135.11670	24.0
137.05960	7.4
137.09680	3.3
137.13196	2.2
139.03876	9.7
139.07515	3.4
141.06944	4.8
142.07742	8.8
143.08531	24.6
144.09319	4.1
145.06421	2.9
145.10098	90.1
147.07983	5.8
147.11659	35.6
149.05879	2.0
149.09570	7.4
149.13220	15.1
151.07507	19.0
151.11147	2.2
153.09084	2.7
154.07738	1.8
155.08514	9.8
156.09346	10.4
157.10101	38.3
158.07243	2.4
158.10841	5.0
159.08031	12.5
159.11658	48.5
161.09587	15.7
161.13222	27.5
163.03891	9.0
163.07498	3.6
163.11151	4.0
163.14792	25.6
165.06998	2.3
165.09200	1.9
165.12718	2.3
167.06966	2.6
167.08527	3.6
168.09210	2.5
169.10106	14.1
170.10890	8.5
171.08015	3.2
171.11670	28.0
172.08801	3.8
172.12373	2.4
173.09586	15.0
173.13237	47.8
174.10350	1.9
175.07420	1.8
175.11159	14.1
175.14796	50.2
177.09077	6.3
177.12737	6.6
177.16376	33.2
179.14281	2.2
180.09352	3.1
181.10077	5.0
182.10825	3.2
183.11676	22.7
184.12498	2.1
185.09621	5.4
185.13214	29.9
186.10388	4.5
187.11230	9.7
187.14790	94.7
189.09081	3.0
189.12753	15.3
189.16330	33.9
191.10556	3.4
191.14282	9.5
191.17924	4.2
193.12080	2.4
193.15842	4.9
194.10847	2.5
195.11694	7.8
196.12335	2.2
197.13225	11.8
198.10336	2.2
199.11121	7.3
199.14787	23.2
201.12698	22.7
201.16357	46.8
203.10533	3.2
203.14273	18.3
203.17958	14.0
205.12193	7.0
205.15916	4.1
206.11115	2.0
207.11687	3.7
207.13611	2.6
207.17516	2.2
209.13202	6.6
211.11192	1.9
211.14742	7.8
213.12709	14.0
213.16257	9.2
215.14307	13.1
215.17873	6.3
217.12178	6.2
217.15829	8.6
217.19362	2.1
219.13747	8.0
221.13300	3.6
221.15298	5.2
223.14769	5.0
223.16856	4.0
225.12695	2.5
225.16295	4.7
227.14143	8.8
227.17839	4.3
229.12180	3.5
229.15849	7.0
229.19431	2.0
231.13835	11.7
233.15332	8.3
235.16925	3.2
237.12744	1.9
237.16319	4.3
239.14247	2.2
239.18031	2.7
241.15761	2.0
241.19379	2.2
243.13791	3.0
245.15349	14.8
245.23900	1.7
247.13127	3.0
247.16859	10.0
249.14597	11.4
249.18550	2.9
253.19450	2.2
257.15387	2.2
259.17181	2.4
261.14920	6.0
261.18579	2.1
263.16196	3.7
265.14285	4.2
271.16898	2.5
277.19312	2.2
293.22464	2.7
309.25638	2.4
319.24387	2.1
333.22058	2.3
355.26028	2.5
365.24628	5.0
371.27066	2.6
373.29047	3.0
375.30362	2.2
383.27362	2.8
389.28235	6.2
391.30023	5.4
401.28326	13.0
403.29767	1.9
407.29474	7.3
409.30936	4.3
417.27765	5.4
419.29401	41.3
421.30960	4.6
435.28888	12.4
437.30493	83.0
438.30600	2.2
447.28842	18.7
453.29697	8.4
455.31323	8.3
465.30017	35.2
483.31049	42.3
484.31152	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	483.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93995	1.4
53.03930	3.9
55.01854	2.1
55.05500	10.7
57.07057	3.8
65.03939	1.6
67.05486	18.9
68.33043	1.9
69.03413	7.4
69.07063	19.4
70.87911	2.6
70.88238	2.8
71.04957	2.5
79.05477	20.7
81.03413	2.4
81.07043	38.8
83.04953	6.3
83.08600	5.9
85.02870	2.9
85.06525	1.9
91.05453	23.6
93.07030	39.4
95.04954	6.2
95.08589	50.3
97.06493	11.4
99.04439	13.2
99.08118	1.8
103.05423	3.1
105.07015	73.9
107.08575	54.7
109.06502	9.9
109.10132	19.3
111.04404	3.3
111.08051	5.1
115.05421	3.9
117.06995	14.2
118.07781	2.1
119.08561	100.0
121.06467	7.7
121.10119	35.6
123.08060	8.4
123.11682	7.2
125.05982	3.1
125.09554	2.2
127.07543	4.4
128.06171	4.9
129.06995	8.4
130.07819	2.9
131.08549	53.2
133.06577	2.3
133.10115	47.3
135.08038	17.3
135.11670	24.0
137.05960	7.4
137.09680	3.3
137.13196	2.2
139.03876	9.7
139.07515	3.4
141.06944	4.8
142.07742	8.8
143.08531	24.6
144.09319	4.1
145.06421	2.9
145.10098	90.1
147.07983	5.8
147.11659	35.6
149.05879	2.0
149.09570	7.4
149.13220	15.1
151.07507	19.0
151.11147	2.2
153.09084	2.7
154.07738	1.8
155.08514	9.8
156.09346	10.4
157.10101	38.3
158.07243	2.4
158.10841	5.0
159.08031	12.5
159.11658	48.5
161.09587	15.7
161.13222	27.5
163.03891	9.0
163.07498	3.6
163.11151	4.0
163.14792	25.6
165.06998	2.3
165.09200	1.9
165.12718	2.3
167.06966	2.6
167.08527	3.6
168.09210	2.5
169.10106	14.1
170.10890	8.5
171.08015	3.2
171.11670	28.0
172.08801	3.8
172.12373	2.4
173.09586	15.0
173.13237	47.8
174.10350	1.9
175.07420	1.8
175.11159	14.1
175.14796	50.2
177.09077	6.3
177.12737	6.6
177.16376	33.2
179.14281	2.2
180.09352	3.1
181.10077	5.0
182.10825	3.2
183.11676	22.7
184.12498	2.1
185.09621	5.4
185.13214	29.9
186.10388	4.5
187.11230	9.7
187.14790	94.7
189.09081	3.0
189.12753	15.3
189.16330	33.9
191.10556	3.4
191.14282	9.5
191.17924	4.2
193.12080	2.4
193.15842	4.9
194.10847	2.5
195.11694	7.8
196.12335	2.2
197.13225	11.8
198.10336	2.2
199.11121	7.3
199.14787	23.2
201.12698	22.7
201.16357	46.8
203.10533	3.2
203.14273	18.3
203.17958	14.0
205.12193	7.0
205.15916	4.1
206.11115	2.0
207.11687	3.7
207.13611	2.6
207.17516	2.2
209.13202	6.6
211.11192	1.9
211.14742	7.8
213.12709	14.0
213.16257	9.2
215.14307	13.1
215.17873	6.3
217.12178	6.2
217.15829	8.6
217.19362	2.1
219.13747	8.0
221.13300	3.6
221.15298	5.2
223.14769	5.0
223.16856	4.0
225.12695	2.5
225.16295	4.7
227.14143	8.8
227.17839	4.3
229.12180	3.5
229.15849	7.0
229.19431	2.0
231.13835	11.7
233.15332	8.3
235.16925	3.2
237.12744	1.9
237.16319	4.3
239.14247	2.2
239.18031	2.7
241.15761	2.0
241.19379	2.2
243.13791	3.0
245.15349	14.8
245.23900	1.7
247.13127	3.0
247.16859	10.0
249.14597	11.4
249.18550	2.9
253.19450	2.2
257.15387	2.2
259.17181	2.4
261.14920	6.0
261.18579	2.1
263.16196	3.7
265.14285	4.2
271.16898	2.5
277.19312	2.2
293.22464	2.7
309.25638	2.4
319.24387	2.1
333.22058	2.3
355.26028	2.5
365.24628	5.0
371.27066	2.6
373.29047	3.0
375.30362	2.2
383.27362	2.8
389.28235	6.2
391.30023	5.4
401.28326	13.0
403.29767	1.9
407.29474	7.3
409.30936	4.3
417.27765	5.4
419.29401	41.3
421.30960	4.6
435.28888	12.4
437.30493	83.0
438.30600	2.2
447.28842	18.7
453.29697	8.4
455.31323	8.3
465.30017	35.2
483.31049	42.3
484.31152	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	483.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
55.05502	21.8
57.07057	4.4
59.04998	2.2
64.63036	2.0
67.05217	2.1
67.05498	23.8
69.03398	4.0
69.07052	14.1
71.04982	4.7
71.32051	2.4
71.32389	3.9
73.06561	5.5
76.08723	2.1
79.05482	26.8
81.03420	3.1
81.06570	3.8
81.07045	72.1
83.04961	12.9
83.08596	8.7
85.02866	2.7
91.05465	29.2
93.07034	50.5
94.32780	2.2
95.04951	8.5
95.08595	56.2
97.06512	8.4
99.04424	3.5
101.06007	7.4
105.07016	82.3
107.05015	2.4
107.08578	57.1
109.06523	18.0
109.10143	31.7
111.04466	3.7
111.08041	10.7
115.05405	4.2
117.06994	14.8
119.08562	96.8
121.06512	4.9
121.10124	36.1
123.08084	11.4
123.11694	9.1
125.05990	3.6
125.09629	12.3
127.07529	9.9
128.06213	8.0
129.06978	11.8
130.07774	4.4
131.08542	47.0
133.10112	45.5
135.08043	5.3
135.11665	17.0
137.09573	5.5
139.07495	4.4
141.06973	6.4
142.07768	9.4
143.08553	29.7
144.09416	2.7
145.10098	81.0
147.08037	3.4
147.11667	30.5
149.09686	5.4
149.13214	12.4
151.07573	2.9
151.11148	3.2
153.09059	2.8
155.08557	12.2
156.09326	8.5
157.08913	3.8
157.10118	37.1
158.10858	2.9
159.08006	3.9
159.10428	4.2
159.11667	44.4
161.09596	8.3
161.13225	31.2
163.07504	2.8
163.11121	6.7
163.14795	9.4
165.07022	4.2
165.12708	2.4
167.10806	2.7
168.09335	3.0
169.08759	4.3
169.10106	23.7
170.10861	4.9
171.11673	37.9
173.13245	32.7
175.11134	8.0
175.14799	30.1
177.09052	2.7
177.12762	9.1
177.16379	6.2
179.14374	3.5
181.10098	6.5
182.10793	4.8
183.11687	21.9
185.09648	2.8
185.13245	56.2
187.11220	5.3
187.14786	61.5
187.16423	3.9
189.12735	7.8
189.16354	11.4
191.14287	4.2
193.10144	3.3
193.12160	3.6
194.10809	2.8
195.11656	10.2
196.12369	3.2
197.13226	25.4
199.14792	32.8
200.14980	2.4
201.12709	7.1
201.16353	28.4
203.14279	9.9
203.17952	5.5
207.11655	6.3
207.13808	7.5
209.13254	9.9
211.14812	12.5
212.24924	2.6
213.12801	6.1
213.16345	23.1
215.10815	2.9
215.14290	9.9
215.17923	4.8
217.12270	2.8
217.15854	5.3
219.13770	3.0
219.17262	2.8
221.13339	5.0
221.15372	4.8
223.14748	9.4
225.16333	8.1
227.14285	3.9
227.17880	5.6
229.15868	6.0
231.13817	8.7
233.15402	5.6
235.14757	4.4
237.14729	7.6
237.16704	4.2
239.18004	9.3
241.19414	4.4
243.13593	3.0
245.15370	7.7
247.16997	7.4
249.16504	4.5
253.19446	4.5
257.15320	6.0
259.16861	9.3
263.18127	5.4
267.17294	2.6
269.15366	2.8
277.19473	3.6
279.21030	4.5
283.16940	2.9
285.18546	4.2
293.22614	18.6
295.20880	2.6
295.24088	7.7
297.18378	3.1
307.20175	2.3
319.24103	10.7
321.22128	3.3
325.21533	3.5
337.25085	5.0
339.23178	26.7
341.21002	2.7
341.25171	2.5
365.24799	14.4
366.25461	2.7
377.28247	4.5
389.28613	3.1
391.30106	2.7
401.28735	4.2
405.28418	2.8
407.29651	4.5
417.28122	3.0
419.29477	26.5
421.26910	4.0
423.28867	2.5
429.27945	5.8
435.29071	12.0
437.30612	53.8
438.30753	3.8
439.32465	2.9
447.28745	17.9
453.30176	4.3
455.31821	3.3
465.30035	31.6
483.30936	100.0
484.31641	3.4
495.47104	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01858	0.7
55.05506	19.9
57.03429	8.1
57.07071	9.4
58.68060	0.6
67.05495	3.7
69.07059	23.9
70.68229	1.9
71.08627	5.8
74.73549	0.6
79.05485	2.5
81.07060	4.7
83.08609	19.1
85.10165	2.9
91.05454	1.1
93.07045	3.5
95.08604	2.9
97.06519	2.1
97.10160	13.1
98.98447	8.0
107.08568	2.0
109.10149	1.9
111.08068	0.7
111.11697	3.5
119.08578	0.9
121.10116	2.6
123.11678	1.1
123.34756	0.5
125.09605	0.6
125.13231	1.1
129.83653	0.5
135.11656	1.9
137.13193	0.7
139.11166	0.8
149.13225	1.6
155.01067	4.8
163.14827	0.7
173.02095	1.2
219.21100	0.7
229.04645	0.8
237.22076	1.1
247.05687	1.4
301.94666	0.5
311.25760	100.0
312.26114	2.5
324.04028	0.6
447.24847	3.0
482.92035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.7
56.05025	1.4
57.03422	0.4
57.07067	2.9
58.06601	1.3
59.07371	0.4
60.08154	16.5
67.05484	0.9
69.07041	1.0
70.06567	0.4
71.07366	6.3
71.08622	2.1
75.16481	0.3
79.05489	0.3
81.07044	1.2
83.08600	0.6
85.10156	1.0
86.09691	49.0
91.05413	0.3
93.07046	0.3
95.08598	1.9
97.06554	0.3
98.98450	3.0
104.10727	100.0
105.07008	0.6
105.11073	0.6
109.10146	1.0
109.22065	0.3
119.08586	0.6
123.11707	0.4
124.99986	25.8
157.29100	0.3
163.01553	0.7
180.10361	0.3
184.07312	93.7
185.07704	0.5
242.75717	0.3
258.11041	1.2
259.76056	0.3
299.25797	2.2
308.71481	0.3
405.24036	0.4
464.31244	9.0
482.32376	40.6
483.32635	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39317	0.4
55.01849	0.6
57.03411	0.7
61.02918	0.8
69.03410	2.3
69.07035	0.6
70.06563	0.5
71.62421	0.9
73.41463	0.4
75.54819	0.5
81.03387	1.7
81.07027	0.7
82.50915	0.5
83.04951	0.5
84.04489	2.7
85.02893	3.6
91.03902	0.5
91.05457	1.9
93.06982	0.5
95.04939	0.7
97.02874	2.3
97.59139	0.4
99.04443	0.5
107.04923	0.9
109.02863	0.9
110.09675	0.6
111.04394	0.6
113.03380	0.4
115.05477	0.6
116.98609	0.5
117.05696	0.9
117.07007	1.0
118.06522	14.8
120.08111	1.0
121.02848	7.0
121.06474	2.0
122.03170	3.8
122.05975	0.5
123.04392	0.6
124.79507	0.5
126.05497	3.5
127.03899	1.7
130.06502	1.8
132.08076	4.9
135.22585	0.4
138.05449	0.9
138.09100	3.1
139.03903	1.5
140.04231	1.0
142.06467	1.4
143.07265	2.0
144.08064	11.2
145.05003	0.8
146.05983	59.1
147.04372	1.9
147.06276	1.3
148.07571	0.6
149.05905	0.5
153.05412	1.1
153.99292	0.4
156.06538	1.7
159.09154	6.6
160.07455	0.6
163.03868	0.9
166.08609	3.6
167.06982	0.9
168.06534	0.9
170.05992	4.0
175.08716	0.8
177.05367	0.5
178.04892	0.4
188.07036	100.0
189.07364	1.4
197.10675	0.5
198.07463	0.5
200.07027	0.8
204.08662	0.8
205.09692	48.7
206.08325	1.5
206.10056	0.7
239.11815	1.6
241.09860	0.6
246.07610	0.5
257.12784	0.8
263.10291	1.1
267.11267	5.7
272.11588	1.5
275.13904	0.6
276.12299	0.7
280.12897	1.5
283.07977	0.8
284.08487	2.3
285.12244	4.2
290.12720	0.6
303.13348	6.1
304.11783	1.3
321.14383	12.3
412.83606	0.5
465.03210	0.5
468.31979	0.5
483.20041	0.7
484.13559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96592	0.8
53.03944	1.3
55.01868	8.8
55.05503	5.7
55.05737	0.9
57.03431	21.1
57.07071	1.3
58.68583	0.8
59.04988	3.7
60.04523	1.4
61.02916	15.2
67.05495	2.2
69.03419	36.7
69.07062	11.4
70.77689	2.6
70.78016	0.8
71.01348	4.8
71.04984	3.0
73.02908	100.0
74.40934	0.8
79.05473	2.5
81.03408	8.3
81.07043	8.9
83.04969	1.8
83.08630	1.5
85.02892	77.5
85.06513	0.9
87.04457	5.6
88.63764	0.8
91.03954	3.6
91.05468	3.2
93.07052	5.5
95.04957	1.4
95.08607	7.2
96.04501	2.1
97.02879	62.5
97.06525	2.5
97.10167	3.4
98.06088	1.1
99.04448	4.5
103.03944	3.7
105.07027	3.0
107.08578	6.4
109.02853	7.9
109.06557	1.3
109.10151	4.5
111.04440	1.1
111.11735	5.8
115.03912	40.5
119.08545	2.3
121.06507	1.1
121.10137	4.7
122.10461	0.9
123.03606	0.9
123.04453	2.3
123.08006	0.9
123.11702	2.0
125.09645	0.8
125.13300	1.3
127.03902	31.2
131.08591	1.1
132.06526	2.0
133.04947	46.7
133.10100	2.4
135.11674	3.6
137.05922	1.1
137.09554	1.9
138.05496	1.2
143.08632	1.2
143.10710	1.0
144.06592	5.0
145.04942	45.2
145.10185	2.0
147.04410	1.4
147.11697	1.9
149.09608	1.7
149.13245	1.2
150.07603	5.9
151.03922	1.2
151.07643	0.9
153.09119	0.9
153.12724	15.7
154.08600	2.7
156.06540	2.9
157.05020	1.4
159.11661	1.9
161.13213	1.0
162.07616	4.7
163.05988	18.4
163.11156	1.1
171.13783	28.5
175.11179	1.3
180.08632	6.4
181.04984	1.1
189.12743	0.9
193.04892	1.7
199.06046	1.3
200.15388	1.0
207.13884	2.5
217.07079	2.9
223.06009	8.1
231.13788	2.1
241.07025	9.9
249.14810	6.4
259.08035	10.0
267.15866	5.3
276.10776	2.5
277.09216	3.8
285.16953	3.6
294.11868	4.1
295.10272	2.8
303.94778	0.8
312.12759	3.0
376.85080	0.9
482.28201	3.0
483.22086	11.1
483.28589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.2
57.03427	3.8
57.07063	30.8
57.53268	1.4
62.05787	1.7
62.06079	25.5
63.98395	1.2
64.31638	1.4
67.05486	4.5
69.07050	4.9
71.08619	24.9
71.62888	2.9
72.04417	1.2
73.01340	1.4
81.07048	7.2
83.08592	4.7
85.10168	14.7
87.04467	1.5
89.06023	21.9
91.05434	1.6
95.08591	9.6
96.94945	1.6
97.10119	4.0
98.98444	5.7
99.11681	1.8
109.10142	4.8
111.37482	1.3
123.11654	3.2
124.01530	1.5
130.08630	2.0
133.08592	13.3
155.00998	5.1
155.77538	1.3
175.11061	2.2
177.11111	6.4
188.57173	1.5
198.05231	2.0
216.06291	3.4
271.26431	2.0
283.17435	10.9
310.31015	11.9
315.28854	1.4
322.36115	1.6
335.14386	1.6
340.80634	1.6
341.30426	100.0
342.30881	3.2
421.27063	7.7
464.31094	6.7
465.37671	14.0
482.31921	2.4
482.39767	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42968	0.8
53.03933	3.2
55.01859	8.7
55.05489	3.9
57.03429	13.5
57.07043	1.1
59.04982	1.8
61.02915	4.6
61.98598	0.8
65.03939	1.7
67.05499	6.4
69.03074	1.4
69.03419	19.6
69.07066	4.4
69.36521	8.3
71.01335	2.2
71.04961	2.7
73.02905	19.2
77.03894	1.1
79.05475	10.9
81.03408	6.0
81.07028	7.5
83.04993	4.7
83.05399	0.8
83.08581	1.7
85.02892	45.6
87.04457	3.5
88.47874	0.8
91.03934	1.9
91.05460	15.9
91.57880	0.9
93.07027	78.3
94.07364	1.7
95.04948	4.2
95.08589	18.5
97.02878	26.8
97.06522	5.3
98.21455	1.5
99.04445	2.7
103.03919	2.5
105.04472	1.3
105.07021	7.8
107.08579	99.3
108.08879	1.5
109.02847	3.2
109.06489	3.3
109.10148	7.7
111.04420	1.6
111.08068	1.0
115.03918	13.9
119.04903	1.2
119.08543	3.7
121.02845	2.8
121.06428	1.1
121.10107	7.3
122.10404	1.5
123.11682	2.3
124.07556	1.5
127.03904	14.0
131.08548	1.9
132.06517	1.7
133.04944	21.7
133.06410	1.1
133.10098	2.9
135.08035	1.6
135.11670	100.0
136.12016	1.9
137.05962	9.6
137.09572	1.4
137.13243	1.7
138.06277	2.8
143.08545	1.0
145.04924	19.9
145.10092	2.0
147.04414	1.6
147.08060	1.0
147.11626	2.5
149.09541	1.1
150.07596	1.6
153.12726	29.8
159.11659	1.5
163.06003	8.8
164.07030	1.1
165.09065	1.4
165.12694	2.0
167.10640	1.1
170.12521	1.2
171.13808	6.2
175.11174	1.4
177.12726	1.8
182.08150	1.4
185.11574	1.0
193.04886	1.3
199.05945	1.4
200.09224	1.9
202.10699	1.6
223.06084	1.3
231.13757	2.4
241.07002	2.5
249.14861	2.6
259.07965	4.9
261.14743	1.0
266.08591	1.1
267.15872	4.1
277.09125	1.4
282.22073	0.9
285.11227	1.0
285.17041	1.0
295.10251	2.5
297.11081	1.3
298.11502	1.6
316.12573	1.4
364.15997	1.3
402.94684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01868	1.3
55.05494	2.1
57.03429	2.6
57.07053	0.6
61.02908	2.2
62.77778	0.6
67.05161	0.9
67.05493	8.8
69.03408	1.8
69.07050	5.2
70.51039	1.8
71.04967	1.3
73.02876	0.8
79.05482	4.6
79.39616	0.6
81.03397	0.8
81.06575	1.4
81.07045	28.0
83.04974	2.4
83.08596	2.9
85.02869	2.4
85.06564	1.0
91.03922	1.6
91.05457	8.3
93.07012	5.0
95.04954	1.3
95.08599	8.6
97.02850	1.6
97.06487	2.4
97.10138	1.5
99.08092	1.8
105.03387	2.5
105.07008	13.8
107.08571	5.4
109.06513	1.7
109.10119	1.7
119.08569	10.8
121.02875	1.1
121.10127	8.3
123.04413	3.2
123.08037	1.6
123.11692	12.6
127.03905	1.6
127.07504	1.5
131.08528	1.4
133.10135	2.2
135.11673	0.9
137.06010	0.8
137.13281	0.9
147.04355	1.9
147.11662	33.1
154.08643	2.0
157.10150	1.4
165.05411	1.8
165.12727	17.1
175.11121	1.1
177.05461	1.3
183.13693	1.0
193.12204	1.6
223.92099	0.8
229.14192	4.9
238.86496	0.8
267.15884	26.4
285.16916	100.0
286.17227	3.1
447.22012	3.7
465.28583	1.1
482.11703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02227	0.4
53.03936	0.8
55.01854	1.4
55.05497	1.1
57.03435	3.4
57.53127	0.5
59.04996	1.1
61.02905	1.5
63.56688	0.6
67.05480	1.3
69.03069	0.6
69.03422	7.3
69.07045	1.8
71.04981	10.5
71.17118	1.5
73.02910	6.3
73.06528	2.9
79.05483	4.4
81.03411	3.0
81.07043	12.8
85.02895	14.1
87.04459	1.0
91.05461	1.3
93.07034	11.9
95.04936	1.5
95.08600	2.4
97.02277	0.7
97.02881	10.9
97.06506	1.3
99.04443	1.2
104.52221	0.4
105.07030	1.2
107.08578	9.1
109.02864	2.2
109.10125	2.2
110.10487	0.5
111.08042	0.6
115.03912	6.3
119.08558	0.9
121.02806	0.8
121.10126	1.9
122.57731	0.5
125.09636	0.5
127.03905	4.9
133.04959	6.8
135.11671	16.7
136.11996	0.6
137.05937	1.5
137.09604	1.9
138.09941	0.9
145.04956	6.3
147.04402	1.5
149.09558	1.1
153.12723	100.0
154.13048	1.9
163.06023	3.4
165.09061	0.9
167.10646	0.5
171.13768	4.0
193.12215	1.1
211.13145	0.7
217.07007	0.7
223.05922	0.7
241.07082	1.2
259.08032	2.2
267.19629	0.6
277.09171	0.9
285.16983	4.2
295.10168	1.9
309.13272	1.4
310.13687	0.7
311.14758	1.0
313.11768	1.2
321.14273	1.0
420.88062	0.6
421.64975	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
61.02905	0.6
65.03919	1.1
69.03420	4.1
71.06956	0.6
71.07313	0.8
81.03403	5.5
83.05004	0.5
85.02882	4.4
95.04948	5.4
97.02865	3.3
99.04457	0.9
102.40295	0.4
109.02887	2.2
111.04415	1.5
121.02842	100.0
122.03147	1.4
127.03885	2.1
129.05476	1.0
139.03874	18.5
145.05005	0.9
145.66313	0.4
147.06522	0.7
165.07585	0.9
167.07014	0.5
183.08641	2.5
217.06516	0.4
247.06035	1.2
259.73782	0.4
265.07001	7.6
283.08075	35.2
284.08450	1.1
442.88165	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01862	0.8
55.05492	3.2
57.03425	5.6
59.04993	1.9
61.02912	1.2
67.05487	4.6
69.03072	1.1
69.03421	16.0
69.07056	2.9
69.64098	1.7
69.64497	4.2
71.04984	13.2
73.02877	0.7
73.06538	2.6
79.05494	4.8
81.03403	10.0
81.07045	18.5
83.04958	2.5
83.08601	2.8
85.02892	15.9
87.04453	10.9
91.05476	3.8
93.07027	13.5
95.04957	3.8
95.08588	3.7
97.02880	16.6
97.06511	2.9
97.61248	0.6
98.20781	1.4
99.04433	1.7
105.07059	1.6
107.04941	1.0
107.08578	9.9
109.02855	1.7
109.06503	2.1
109.10121	6.3
110.10478	2.2
111.08117	1.8
115.03914	22.6
119.08547	3.2
119.11150	0.7
121.10132	1.8
123.11684	0.9
124.07629	1.2
127.03899	3.2
131.08582	0.9
133.04941	24.7
133.10129	2.1
135.11670	18.4
137.05966	3.3
137.09595	8.5
138.06271	1.1
138.09917	4.6
142.08670	1.1
145.04921	2.8
147.11685	2.0
153.12723	100.0
154.13017	1.2
155.10703	1.1
157.10156	1.7
163.06012	0.8
165.09067	6.8
166.09433	4.7
167.07030	0.7
169.04910	0.8
171.13791	5.3
175.11148	1.8
186.89299	0.7
193.12238	8.5
195.04047	0.8
201.11244	1.3
202.11598	1.1
211.13254	7.2
223.05879	0.8
241.07143	1.5
254.53403	0.7
258.12860	0.8
259.08167	3.1
267.15787	3.4
277.09186	1.1
278.91437	0.8
285.16928	20.6
295.10159	3.6
309.13132	1.3
310.13614	4.4
328.14520	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	482.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01851	4.2
56.96543	0.8
57.03416	0.8
61.02932	1.6
65.03939	0.7
67.05472	1.2
68.52115	0.7
68.99790	0.9
69.03413	6.1
69.07055	8.7
70.06574	2.6
71.04990	1.0
71.60905	1.1
73.02876	0.9
81.03405	3.9
83.01308	2.0
83.04960	1.1
84.08117	0.8
85.02892	7.9
87.04451	0.9
90.67172	0.7
91.05456	0.8
95.04955	3.2
97.02879	4.0
98.97546	0.9
99.04446	1.9
105.03389	1.0
105.06995	1.3
107.04916	1.4
109.02851	6.9
110.07132	2.1
111.04432	1.7
112.07575	2.1
115.03864	0.7
119.04916	2.1
119.45675	0.7
121.02843	28.4
121.10060	0.7
123.04405	100.0
124.04770	1.5
124.07658	1.1
125.02188	0.7
127.03878	5.3
130.39952	0.7
131.04906	1.3
131.32233	0.8
132.81764	0.9
133.02885	0.7
135.04399	3.7
137.02303	6.5
137.05965	1.6
138.02652	1.1
139.03874	15.4
140.07045	14.2
141.01788	1.7
141.05475	1.4
143.84184	0.7
145.04910	2.1
147.04378	7.3
149.01294	0.9
149.02266	4.7
149.05830	1.1
151.03835	8.2
153.01802	0.8
158.08078	1.1
161.05896	0.9
163.03860	7.8
165.01817	25.7
165.05495	4.2
167.07022	2.1
168.06526	28.7
171.06525	1.7
175.03946	1.2
177.01846	7.8
177.05461	5.9
179.03363	9.8
183.02850	22.6
183.04486	1.1
186.07535	4.4
187.03819	2.0
191.03374	6.7
192.03355	0.7
193.04878	1.3
195.02919	1.6
201.05382	0.8
203.03320	1.7
205.01311	5.3
205.04944	7.5
207.02850	6.7
209.04477	1.1
215.03398	2.1
217.05049	1.2
219.02979	1.0
221.04474	5.5
223.02339	17.1
223.04387	1.4
231.02834	0.9
231.12445	1.1
233.04408	17.9
235.02368	2.7
237.03925	1.9
243.02875	1.0
249.03857	9.1
261.03885	9.5
265.06998	2.3
267.04877	7.7
277.03378	10.0
279.04904	4.3
283.08102	8.2
291.08472	1.1
295.04382	9.6
297.06024	15.6
312.10553	0.9
313.05469	81.2
314.05811	1.0
325.05429	7.6
330.11829	1.7
359.07632	1.3
411.07217	2.6
419.09595	2.1
429.08078	8.2
446.16299	1.0
447.09128	20.0
465.10120	12.1
482.12552	2.6
482.18945	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01848	3.6
55.05498	4.0
57.03425	6.4
57.07051	1.0
59.04989	1.3
59.34883	0.9
61.02901	3.0
65.03938	0.8
67.05490	16.5
69.03417	10.6
69.04892	0.8
69.07049	6.1
71.01320	1.4
71.04986	10.7
71.62682	1.1
73.02905	8.0
73.10816	0.8
79.05462	3.5
81.03398	16.8
81.07037	25.9
83.04956	6.6
85.02887	13.7
85.06536	1.0
87.04447	1.4
90.35134	0.9
91.05457	3.0
93.07043	6.8
95.04951	3.1
95.08586	9.0
97.02886	10.2
97.06506	2.6
97.10151	0.9
99.04436	2.7
99.08076	2.7
101.05997	12.3
105.07009	2.6
107.08556	6.6
109.02852	17.8
109.06490	3.4
109.10130	46.1
111.04417	1.6
111.08058	2.4
111.11689	3.2
115.03876	4.6
117.03351	2.6
119.07034	4.0
119.08526	4.7
120.08084	1.1
121.10133	3.4
123.11688	9.6
125.05955	2.7
127.03893	11.2
133.04953	5.5
133.10091	1.8
135.07991	3.9
137.08096	8.8
137.09587	100.0
139.11147	7.3
143.03339	4.7
145.02806	8.9
145.04869	4.9
145.10144	0.9
147.11581	1.0
149.06042	0.9
149.09621	1.3
151.11139	5.3
153.12689	1.8
155.10637	6.2
157.12213	8.4
162.54410	0.8
163.03835	0.8
165.09082	93.7
166.09409	1.2
167.10660	1.7
169.12201	40.7
177.05441	20.5
179.10754	1.0
183.10159	7.2
187.13246	8.3
201.11176	13.9
257.12799	2.3
270.58527	0.8
291.12256	7.3
309.13263	53.0
311.71573	0.9
327.14285	15.2
339.10901	1.1
345.15335	1.9
349.18472	1.9
453.66125	1.0
481.11209	0.8
481.16846	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2939
Annotation	Helisplendidilactone
Peak:m/z	Relative Intensity
53.03920	2.0
54.40112	1.3
55.05495	5.9
60.08150	1.5
64.59212	1.2
67.05491	7.9
69.03416	1.8
69.07050	5.2
79.05477	10.9
81.07040	19.8
82.15910	1.2
83.04979	3.1
83.08620	2.1
86.09681	2.5
91.05466	15.7
93.07027	23.0
95.04951	3.2
95.08583	18.4
97.10123	1.8
99.04436	3.7
104.10725	3.7
105.07013	28.2
107.08570	23.1
109.06457	6.8
109.10137	10.0
111.08006	2.5
117.06966	6.4
119.08560	60.2
121.06487	3.1
121.10123	11.8
123.08069	7.2
123.11671	2.4
126.53801	1.3
127.07535	1.6
128.06239	1.7
129.06973	7.1
130.07751	2.8
131.08540	27.8
131.15631	1.2
133.10104	33.7
135.08035	4.3
135.11664	6.8
137.09608	3.8
142.07797	3.9
143.08536	12.0
144.09335	2.6
145.06384	1.5
145.10098	57.7
147.07999	3.4
147.11650	15.0
149.09621	8.4
149.13214	3.2
151.11147	1.3
155.08534	5.8
156.09312	4.5
157.10080	17.7
158.10910	2.0
159.08037	3.0
159.11650	23.2
160.88153	1.4
161.09576	6.5
161.13277	13.0
163.07573	1.8
163.11186	4.0
163.14784	8.7
165.07027	1.5
165.09070	1.6
167.07007	6.8
167.08286	1.5
168.09337	2.1
169.10092	7.0
170.10907	3.2
171.11705	12.1
172.12444	1.7
173.09612	2.5
173.13216	18.8
175.11163	7.2
175.14813	14.3
177.12723	4.8
177.16350	2.9
180.09267	1.7
181.08575	3.4
181.10045	2.5
182.10966	1.8
183.11630	7.7
184.07314	5.0
184.12476	2.1
185.09537	1.6
185.13205	30.3
186.13863	1.6
187.11267	6.6
187.14787	87.8
188.15121	1.9
189.12718	4.1
189.16341	14.7
191.10641	1.5
193.08597	3.2
193.12305	1.5
195.11697	9.3
196.12488	1.6
197.13251	10.7
199.14748	9.7
201.12703	2.1
201.16354	16.2
203.14293	3.1
203.17899	6.4
205.12219	2.9
207.10106	4.9
207.11836	2.4
207.13506	1.4
209.13269	3.6
211.11034	1.7
211.14795	5.6
213.12714	9.0
213.16368	5.9
215.14323	6.1
215.17937	2.8
219.10095	2.3
221.11647	16.3
221.15228	1.6
223.14818	4.1
225.12624	1.9
225.16376	4.0
227.14310	4.5
227.17844	3.3
233.11533	7.8
233.15244	2.0
235.13223	35.9
235.16826	2.5
239.17908	2.5
245.15385	1.9
247.13235	64.0
247.17024	2.6
248.13757	1.4
249.14771	3.9
251.18018	2.2
257.15436	1.5
259.13239	7.7
261.14804	32.3
263.16232	1.8
267.17715	1.4
273.14804	3.1
287.16479	2.0
301.53329	1.3
319.24020	2.3
341.20975	3.6
347.23883	2.9
361.25122	3.9
365.20868	1.4
379.22827	2.0
389.28455	2.2
405.28131	6.4
407.29382	1.8
435.28879	100.0
436.29272	4.6
437.30429	4.0
445.27029	3.8
463.28363	43.8
464.28577	1.8
481.29294	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	480.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66429	2.9
55.05501	16.3
57.03407	3.0
57.07043	2.9
67.05495	39.3
67.15275	3.0
69.07055	30.1
69.37667	6.7
69.38070	24.6
71.04980	5.1
79.05481	30.5
81.03407	8.9
81.07046	83.2
82.07386	5.4
83.04966	6.9
83.08607	11.8
85.02891	4.6
89.36786	2.9
91.05468	27.6
93.07027	45.8
94.07327	5.2
95.04950	10.1
95.08594	100.0
96.08918	4.3
97.06496	7.6
97.10161	4.0
101.78069	3.0
105.07014	67.5
105.07669	5.0
107.04929	4.9
107.08577	51.9
109.06489	3.4
109.10147	42.7
111.08059	14.2
112.07310	3.1
114.50863	2.8
117.06976	14.9
119.08562	39.5
121.06450	5.3
121.10117	43.7
123.08014	4.8
123.11684	36.5
125.98491	3.0
129.06984	17.9
131.08548	49.1
132.09079	2.9
133.10123	49.6
135.08017	3.1
135.11674	35.2
137.13234	10.9
139.07550	2.9
139.11176	17.3
142.07761	8.0
143.08551	40.5
145.10101	43.2
147.08060	4.5
147.11678	36.4
149.09647	7.9
149.13245	26.6
151.11140	7.0
151.14890	5.1
153.12737	4.0
155.08574	12.1
157.10101	39.3
159.11670	41.3
161.09647	6.3
161.13226	31.1
163.11133	5.0
163.14838	11.4
165.12703	10.5
169.10112	12.1
171.11642	36.8
173.09608	6.2
173.13232	27.1
175.11174	4.5
175.14787	11.6
177.12767	5.2
177.16353	4.8
179.14299	11.1
181.10088	6.0
183.11653	11.6
185.13252	26.1
187.11098	6.8
187.14790	12.5
189.16335	6.3
191.10771	5.8
191.14336	3.5
193.12167	5.9
197.13237	14.0
199.11176	4.6
199.14822	20.1
201.16452	8.4
203.10725	5.7
203.14319	6.7
205.12236	6.5
209.11519	4.5
209.13315	5.4
211.13147	6.5
211.14859	7.7
212.13606	3.7
213.12923	3.6
213.16379	7.3
215.14365	4.9
215.17960	4.9
217.12233	15.1
217.15880	9.4
223.14847	3.5
225.16414	5.5
229.12257	5.1
231.13892	19.3
233.15370	7.0
243.13737	9.4
245.15312	18.8
249.14780	4.0
253.19572	3.3
257.15195	4.6
262.98767	3.5
263.16418	4.9
265.19485	3.4
267.15839	3.3
271.16797	3.8
279.20932	3.6
281.22647	8.8
284.47232	3.5
293.22763	5.4
299.23837	3.7
321.22168	4.5
321.25677	24.1
323.27051	5.1
325.21805	3.5
327.23215	12.6
337.25443	3.5
339.23129	7.2
339.26733	34.2
341.24710	4.2
345.24124	7.2
349.25378	7.8
355.26257	18.4
357.24017	6.3
357.27844	35.4
367.26328	84.9
373.27286	27.9
374.27747	3.6
376.16342	3.2
385.23071	3.8
385.27414	51.4
403.23853	5.3
403.28687	27.8
420.31213	3.5
462.29318	12.7
480.32529	27.1
486.44553	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	480.3077
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05514	10.4
57.03427	3.3
57.07075	7.6
57.48274	1.4
58.62223	1.3
62.06081	28.2
67.05500	10.3
69.07066	17.1
71.08591	1.8
71.62939	2.5
79.05464	4.0
81.07050	13.1
83.04939	1.7
83.08604	9.5
85.05376	1.2
93.07057	6.4
95.04923	1.6
95.08598	13.0
97.06500	1.6
97.10140	4.9
98.06046	1.4
98.98438	5.4
105.07001	2.6
107.08593	3.4
109.10130	7.3
111.11681	2.2
121.10109	4.7
121.68267	1.2
123.11674	1.3
135.11659	4.7
149.13202	2.5
155.01010	6.0
190.54901	1.2
216.06265	3.8
247.23836	1.7
265.25269	5.8
289.41782	1.6
302.62869	1.4
308.29428	26.6
339.28900	100.0
419.25574	4.4
423.10571	2.2
424.11673	1.6
437.12259	2.0
439.13959	4.8
462.29587	5.6
466.12524	3.1
480.17746	2.7
480.30881	5.7
481.14908	30.4
499.16403	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01872	6.6
55.05500	2.7
57.03141	1.3
57.03425	16.7
57.07048	4.5
59.04983	2.2
61.02914	5.9
65.03929	1.3
67.05202	1.0
67.05495	9.3
69.03069	1.4
69.03418	19.6
69.07059	34.4
70.59312	1.1
70.59634	3.1
71.01320	3.0
71.04984	35.9
73.02905	22.6
75.04459	3.8
79.05477	9.9
81.03424	5.0
81.07044	100.0
82.07382	1.5
83.04992	6.6
83.08583	1.6
85.02892	88.7
86.03181	1.4
87.04445	4.6
91.03945	2.1
91.05457	2.4
93.07005	5.0
95.04943	2.3
95.08595	25.2
96.08933	1.5
97.02877	30.2
97.06495	1.1
97.10127	2.1
99.04438	4.4
103.03914	3.2
105.03359	1.5
105.07007	4.0
107.04919	1.6
107.08555	5.2
109.02838	4.8
109.06525	2.3
109.10136	10.0
111.04420	4.1
111.08071	1.8
114.05451	1.0
115.03910	21.0
119.04893	2.3
119.08557	3.2
119.12347	1.0
121.06525	1.5
121.10130	3.2
123.04395	4.5
123.11686	55.6
123.68526	1.1
127.03894	16.1
129.05458	25.3
131.08549	1.4
133.04944	24.1
133.10072	3.6
135.08032	1.4
137.05952	2.8
137.09601	2.0
137.13229	30.8
138.13460	1.0
139.03900	1.2
140.03850	1.0
145.03156	1.1
145.04939	17.3
145.10097	2.3
146.09467	1.0
147.01828	1.0
147.04431	7.6
147.06491	19.0
147.11690	2.2
148.04764	2.4
149.13281	1.4
150.07573	1.7
151.03847	1.3
151.07547	1.6
151.11166	39.2
157.10081	1.6
161.13231	1.2
162.07602	1.1
163.05942	5.9
164.09148	4.1
165.05524	1.6
165.09116	1.7
165.28293	1.0
169.12231	5.9
173.13243	1.2
177.05415	1.9
183.11566	1.6
192.07457	1.1
223.05960	3.2
226.35428	1.2
241.07022	3.5
255.08569	2.3
259.08145	2.7
283.15393	8.7
309.11600	2.3
313.16452	3.8
329.09940	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3077
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03937	0.7
53.79108	0.5
55.05266	0.6
55.05505	10.1
57.03176	0.7
57.03430	6.8
57.07068	5.9
60.63808	0.5
61.02909	1.1
61.76558	0.5
62.06079	0.6
62.33439	0.5
67.05498	9.9
69.03413	1.1
69.07055	17.4
69.40808	0.5
71.04967	1.0
71.08626	3.1
71.62927	0.5
79.05476	5.4
81.03398	0.8
81.07043	10.9
83.08134	0.8
83.08606	12.1
84.70962	0.5
85.02916	1.1
85.10146	1.2
86.09700	1.1
91.03926	0.7
91.05453	1.9
93.07024	7.2
94.07389	0.6
95.04876	0.7
95.08588	12.7
97.02899	1.2
97.06503	1.8
97.10146	6.9
98.06030	0.6
98.98444	0.8
99.04421	0.6
105.07001	1.2
107.08587	4.9
109.06498	0.6
109.10123	5.1
111.08051	1.4
111.11696	1.4
119.08553	0.7
121.06588	0.5
121.10127	6.3
123.11702	1.6
124.99972	0.6
125.09611	1.5
132.11523	0.6
133.10098	1.4
135.11665	4.4
136.84918	0.5
137.13167	0.7
139.11151	0.7
142.99942	0.5
149.13266	1.6
157.10135	0.8
161.13228	0.5
163.14832	0.7
167.39215	0.5
173.13263	0.5
175.14705	0.5
184.07324	0.9
189.00491	0.5
194.19379	0.5
216.06374	0.6
265.25204	1.0
267.09116	0.6
285.10327	0.6
308.29440	4.9
323.10754	0.5
339.28894	100.0
340.29309	2.0
454.72119	0.6
480.33469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98978	1.4
53.03932	1.7
53.27655	1.4
53.50907	1.8
55.01863	3.0
55.05495	5.2
57.03424	22.7
57.07050	1.8
59.04982	4.4
60.04498	2.3
61.02915	1.7
62.31023	1.5
67.05505	9.1
67.11053	1.7
69.03419	81.6
69.07055	46.6
70.03748	1.9
70.91296	4.8
71.04946	3.4
73.02895	4.4
73.08563	1.6
75.04474	2.0
75.52298	1.6
79.05477	6.9
81.03395	7.6
81.07044	25.7
83.04946	4.7
83.08589	2.8
85.02893	55.4
85.06499	2.2
87.04453	52.9
91.05455	6.2
92.05805	1.7
93.07038	9.5
94.07389	1.6
95.04939	4.1
95.08590	12.6
96.08931	2.3
97.02876	85.3
97.06512	4.0
97.10114	2.0
99.04426	4.5
105.06998	7.0
106.07356	1.8
107.08559	9.3
108.08883	1.5
109.02859	4.9
109.06486	5.0
109.10147	10.5
115.03912	86.3
116.04274	1.8
119.04893	2.8
119.08560	5.7
120.08920	1.7
121.06467	2.0
121.10120	5.1
123.04409	5.2
123.11691	53.3
125.09570	2.6
127.03924	8.4
131.08533	3.4
133.04944	100.0
133.10147	3.9
135.08032	2.1
135.11658	2.8
137.05980	6.0
137.09572	3.1
138.06302	2.5
145.04980	7.8
145.10138	3.9
147.04405	7.2
147.11674	3.6
149.13235	2.9
150.07576	3.3
151.03923	2.4
151.07506	3.0
151.11151	41.8
161.09619	1.7
163.06024	2.5
163.11177	2.8
165.05432	2.0
165.09093	7.6
166.09579	2.0
166.13011	1.6
169.12267	4.8
177.05452	2.8
181.12036	1.7
187.06010	1.9
201.12654	2.3
211.06004	1.7
216.18269	2.6
219.13731	3.5
223.05977	1.8
241.06850	2.2
247.13289	8.5
259.08124	4.9
260.06482	1.9
265.14496	2.5
265.18076	2.1
282.17749	1.8
283.15375	8.8
313.16388	6.3
480.29828	2.0
481.27246	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
54.00772	0.7
55.01867	14.1
55.02110	1.4
55.05502	1.3
57.03429	27.6
57.07082	0.9
59.04996	3.5
59.62632	0.6
59.70580	0.8
60.04524	1.3
61.02920	18.7
67.05507	4.5
69.03421	48.0
69.07059	61.5
71.01351	6.1
71.04994	3.6
73.02908	99.1
79.05511	2.0
81.03405	6.4
81.07047	18.8
83.04980	1.7
83.08607	1.0
85.02895	100.0
86.03220	0.8
87.04459	8.0
87.23485	0.7
91.03950	4.4
91.05485	1.2
93.07038	2.4
95.04960	2.7
95.08587	5.2
97.02880	89.5
98.03230	0.9
98.20757	1.6
99.04438	6.0
101.02352	1.5
103.03918	4.7
105.07038	1.2
107.08566	3.2
109.02866	8.5
109.06503	2.9
109.10145	10.3
115.03918	54.1
119.08539	0.8
121.06510	0.8
121.10135	2.7
123.04403	1.0
123.11693	86.8
124.12036	0.9
127.03904	37.5
129.05576	0.8
133.04951	53.6
133.10114	0.9
135.04335	1.1
141.12683	1.1
144.06540	2.7
145.04948	48.2
150.07602	2.6
151.03908	1.3
151.11165	80.2
152.11470	1.1
156.06473	1.3
159.11749	0.9
162.07585	1.8
163.06004	18.1
164.45302	0.9
169.04961	1.2
169.12222	16.1
180.08572	2.4
181.04892	1.4
193.04836	2.2
195.06578	0.9
197.07948	1.0
199.05937	2.5
204.08748	0.7
211.05899	0.8
217.06982	2.6
223.05951	7.3
241.07022	10.1
244.24448	0.7
247.13239	2.1
259.08093	11.0
265.14279	3.8
276.10709	1.5
277.09015	2.6
283.15359	38.7
294.11688	1.6
295.10056	1.8
309.13303	0.8
311.62750	0.7
312.12744	1.2
313.16357	2.8
328.14981	0.9
359.56387	0.8
497.08588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	28.8
55.70117	3.1
57.07068	96.9
57.32822	3.6
67.05488	12.1
69.07057	47.2
71.01948	7.6
71.02287	5.1
71.08622	84.5
77.47298	3.7
79.05491	13.7
81.07043	45.8
81.44945	3.9
83.04978	9.9
83.08611	23.3
85.10168	49.5
87.04481	4.4
91.05461	3.7
93.07016	31.6
93.34011	3.9
95.08594	38.4
97.06507	9.5
97.10156	16.4
99.08047	6.2
99.11768	3.9
101.06024	36.9
107.08594	33.2
109.06499	11.2
109.10146	25.2
111.08055	12.4
111.11708	12.2
115.07524	5.0
121.10097	19.9
123.11685	14.0
125.05957	9.6
125.13214	5.3
127.07532	95.0
127.08463	7.0
127.14783	4.4
129.04498	6.2
129.05450	100.0
135.11700	19.1
137.13208	5.6
139.07518	10.6
139.11140	4.4
143.06995	10.6
143.10686	4.3
149.13228	15.7
151.14828	5.4
153.12721	4.8
155.06932	4.9
157.08589	5.3
163.14774	14.4
167.14334	7.4
177.16364	9.2
181.15956	12.0
185.11646	7.1
191.17946	7.7
205.15759	4.8
213.14825	7.4
219.21150	4.1
223.20576	5.7
228.49623	4.0
233.13602	4.5
255.19609	6.4
289.28796	10.7
292.78262	4.0
299.27283	3.8
307.29813	12.1
333.31549	6.3
335.93063	4.1
351.32932	4.3
358.12540	3.7
479.37024	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	479.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61144	0.2
53.03928	0.5
54.04254	0.3
55.01851	1.0
55.05260	0.2
55.05500	3.4
55.95981	0.2
56.05820	0.5
57.03423	1.1
57.07051	0.3
61.02914	0.3
65.03910	0.5
67.05493	6.3
68.05806	0.8
69.03419	1.6
69.07066	2.8
70.07374	0.3
70.16038	1.3
71.04961	0.4
74.97120	0.2
79.05478	3.5
80.05811	0.7
81.03403	3.6
81.07044	8.5
82.03734	0.8
82.07353	0.7
83.04950	1.4
83.08607	2.3
84.08916	0.6
85.02898	2.4
85.06525	0.9
91.04958	0.3
91.05466	3.2
92.05779	1.0
93.06132	0.3
93.07025	3.4
94.07362	0.7
95.04968	1.9
95.08588	5.4
96.05284	0.5
96.08912	0.5
97.02869	0.6
97.06521	3.1
97.10160	1.5
98.10470	0.5
99.04449	0.4
99.08045	0.7
104.05666	0.2
105.03400	0.5
105.07021	2.4
106.07339	0.6
107.04938	1.3
107.08576	2.7
108.05250	0.5
108.08893	0.6
109.02860	0.6
109.06506	2.5
109.10139	6.5
111.04413	0.4
111.08040	0.7
111.11693	0.3
113.05901	0.2
115.05453	0.3
117.06992	1.0
118.07333	0.4
119.04910	0.8
119.07773	0.4
119.08557	4.1
120.08906	0.6
121.06495	1.5
121.10133	2.0
122.07381	1.4
122.10453	0.3
123.04375	0.7
123.08028	0.9
123.11672	2.4
124.08382	0.3
125.06008	0.3
125.09621	1.4
126.09928	1.0
127.03881	0.7
127.11153	0.4
128.06190	0.3
129.07014	0.5
130.07384	0.4
131.04895	0.3
131.08525	1.2
132.08897	0.6
133.06421	0.4
133.09265	0.3
133.10114	1.5
134.06856	0.3
135.04401	0.4
135.08080	1.2
135.11685	1.1
137.09596	10.6
137.13235	0.8
143.08514	0.6
145.04918	0.6
145.06433	0.7
145.10094	0.9
147.04399	3.3
147.08064	0.4
147.11696	1.2
148.04750	0.2
149.09630	1.9
149.13229	2.0
151.07555	0.5
151.11162	0.3
153.09094	0.3
153.12724	0.8
155.08507	0.5
157.10112	1.0
159.11659	0.7
161.09660	0.4
161.13257	0.5
163.11191	0.6
163.14789	0.3
165.09085	100.0
166.09457	1.3
167.14319	0.4
169.10062	0.4
171.11615	0.5
172.08301	0.3
172.11899	0.2
173.13193	0.6
175.11119	0.7
175.14787	0.3
177.09079	0.7
177.12798	0.3
177.16341	0.3
179.10645	0.4
183.11749	0.3
187.11293	0.3
187.14743	0.5
189.09134	0.4
189.11084	0.4
189.12685	0.6
190.11584	0.3
191.10577	0.5
193.12204	1.0
194.12566	0.7
199.14862	0.3
203.10530	0.3
203.14134	0.3
205.12207	5.0
227.12840	0.4
228.13107	0.4
233.15352	0.5
234.15680	0.4
238.89745	0.2
245.15259	0.4
267.15823	1.0
268.16028	1.1
269.16473	0.8
271.16956	0.2
273.14636	0.4
280.03693	0.3
281.22314	0.4
284.62772	0.3
289.21747	1.1
291.26746	1.0
299.20245	0.5
299.23642	1.8
301.21570	0.2
309.27924	2.3
317.21201	0.4
317.24713	0.6
351.22531	0.3
367.22565	0.5
368.22852	0.5
369.23315	1.4
385.23431	0.4
386.23917	0.5
387.24265	3.2
404.25012	0.3
405.25580	1.2
417.25235	0.4
425.34024	0.5
435.26392	1.2
443.27267	0.7
443.35291	1.4
461.28015	6.6
479.29471	7.3
480.29904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01853	4.5
55.05495	20.8
57.03434	11.6
57.07057	2.5
58.75394	1.0
59.04966	1.3
62.89118	0.9
65.03914	4.7
67.05491	60.1
68.05836	1.0
69.03412	4.7
69.07052	21.4
69.76947	1.1
71.01329	1.8
71.04981	5.8
79.05477	49.4
81.03403	36.0
81.07039	82.4
83.04966	15.6
83.08604	20.6
85.02888	18.5
85.06522	4.6
87.04469	1.0
91.05461	43.0
91.68857	0.8
93.07024	55.2
95.04949	24.3
95.08584	25.0
97.02853	2.0
97.06509	13.4
97.10130	5.1
99.08086	2.2
105.04523	1.1
105.07007	28.5
107.04928	7.3
107.08575	27.8
109.06495	6.9
109.10150	5.9
111.04432	1.4
111.08057	13.4
113.05977	1.5
115.05400	1.5
117.06993	7.7
119.04961	1.7
119.08562	20.0
121.06472	3.8
121.10111	18.5
123.04388	2.0
123.08021	3.4
123.11649	4.8
125.09618	3.4
127.52938	1.0
129.06964	10.0
131.08543	19.0
133.06448	2.7
133.10103	18.2
134.10371	1.2
135.08043	3.7
135.11662	7.6
137.09659	1.2
141.47862	1.0
142.07747	2.9
143.08542	3.9
145.10069	6.1
147.08015	2.8
147.11661	14.8
148.73538	1.0
149.09599	4.7
149.13243	21.1
151.20862	1.0
155.08450	1.7
157.10097	10.5
159.11676	10.6
161.13223	1.4
163.11159	5.1
165.05466	3.0
165.12737	3.8
169.10089	2.1
171.11722	3.1
173.13278	1.7
175.11168	11.3
175.14844	1.4
177.12733	4.4
181.09981	1.2
183.11572	1.2
185.13280	2.8
187.14804	1.8
189.11136	1.9
193.12206	34.9
195.13741	9.4
197.13298	1.2
199.11223	1.5
199.14832	1.2
209.13423	1.1
211.13239	43.5
215.14313	1.1
215.40085	1.0
227.12642	1.1
267.15897	10.3
269.17538	7.6
303.05002	1.4
311.33334	1.1
317.10263	1.6
341.24911	1.7
351.23163	1.7
369.24335	3.1
387.25177	6.6
405.26755	1.4
433.27390	3.7
443.27850	2.8
461.28998	17.0
479.29974	100.0
480.30521	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2998
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
53.03937	4.4
55.01864	5.7
55.05507	17.3
56.96556	1.5
57.03431	8.9
57.07067	2.1
65.03925	2.2
67.05497	58.9
69.03410	3.2
69.07062	18.6
70.17593	3.8
71.01365	1.1
71.04984	4.9
79.05486	42.9
79.09491	0.8
81.03410	36.9
81.07047	68.7
82.07352	1.4
83.04979	12.3
83.08612	20.2
83.09103	1.2
85.02898	18.8
85.06533	4.7
91.05471	36.6
92.05813	1.1
93.07034	50.4
95.04961	24.7
95.08595	21.1
95.09152	1.5
97.02868	3.0
97.06508	10.0
97.10145	5.2
99.08128	3.1
105.07018	25.6
107.04939	4.9
107.08588	25.9
109.06501	6.7
109.10136	6.1
111.04421	1.9
111.08074	9.2
111.11752	0.9
113.06020	1.9
115.05458	2.1
117.06988	8.0
119.08571	14.8
119.09342	1.4
120.08923	0.8
121.06499	3.7
121.10123	18.6
121.10992	1.0
122.10472	1.0
123.08072	3.4
123.11722	3.4
125.09646	2.4
127.07551	1.5
128.67787	1.0
129.06996	8.3
131.08554	15.3
133.06526	1.8
133.10124	13.0
135.08040	2.6
135.11684	6.5
137.09633	1.7
139.11182	1.5
141.06891	0.9
142.07779	2.4
143.08569	1.9
145.06473	1.1
145.10135	4.3
147.08099	1.9
147.11676	12.0
149.09578	4.7
149.13237	17.8
151.11163	0.9
153.09056	1.1
157.10101	10.1
159.08054	1.1
159.11652	11.0
161.09677	1.0
161.13200	1.1
163.11263	1.3
165.09203	1.2
165.12775	3.3
167.14348	1.0
169.10184	1.8
171.11632	0.9
173.13252	2.2
175.11192	10.1
177.12733	4.4
183.11726	1.2
185.13310	1.4
189.11206	1.5
193.12219	32.5
194.12527	1.0
195.13783	8.1
203.14365	1.1
211.13264	41.6
215.18018	1.2
221.15494	1.0
229.14264	1.0
231.13995	1.0
249.14972	1.6
267.15842	11.2
269.17514	8.1
285.10034	1.2
331.26624	0.8
343.22635	1.8
359.26337	0.9
369.24210	2.6
387.25351	5.4
417.26645	0.9
435.27808	1.3
443.27722	1.2
447.27603	1.6
456.28168	1.2
461.28976	18.5
461.35373	1.7
462.29080	1.1
479.30011	100.0
480.30463	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	479.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
53.36707	0.9
55.01868	3.4
55.05256	1.6
55.05505	20.5
56.96548	1.0
57.03430	9.1
57.07055	2.2
59.04992	0.9
60.72628	0.8
62.07135	0.8
64.10497	0.8
65.03922	1.9
67.05497	55.6
68.05878	0.8
69.03426	2.9
69.07056	17.7
69.46162	7.2
71.01350	0.9
71.04984	6.7
74.03219	0.7
77.03938	1.4
79.05486	40.8
81.03407	27.5
81.07047	78.8
82.07378	1.4
83.04972	12.8
83.08610	20.3
85.02892	13.0
85.06545	4.2
91.05468	34.9
92.05797	1.1
93.07034	49.0
94.07349	1.0
95.04957	19.4
95.08591	22.0
97.02879	2.7
97.06532	11.2
97.10158	4.6
99.08087	3.5
103.05447	1.5
105.04485	1.1
105.07015	27.8
107.04951	5.1
107.08579	25.7
107.09282	1.6
109.06506	8.1
109.10130	7.0
111.04471	1.2
111.08076	10.8
113.06022	1.4
115.05479	1.0
117.07005	8.5
119.08569	19.2
121.06493	3.1
121.10123	19.8
123.08072	2.9
123.11678	7.7
125.09648	2.5
127.07567	1.4
128.06293	0.9
129.06984	5.9
131.08548	13.4
133.06500	2.3
133.10120	12.4
135.08052	2.9
135.11694	7.8
137.09616	1.5
141.06967	1.1
142.07730	2.0
143.08585	3.3
145.10115	6.0
147.08020	2.6
147.11667	20.6
147.74916	0.9
149.09622	4.1
149.13245	18.7
151.07608	0.9
155.08542	1.9
157.10135	9.6
159.08046	1.1
159.11664	8.5
161.09648	1.2
161.13219	1.4
163.11136	1.9
165.12714	6.9
169.10107	1.7
171.11661	1.6
173.09592	1.1
173.13277	1.7
175.11169	6.8
177.12659	4.0
179.08594	0.8
183.11644	1.5
183.13901	1.1
184.07335	0.8
185.13295	1.7
187.14815	2.2
193.10396	1.8
193.12206	26.2
195.12054	1.1
195.13766	10.4
197.13264	0.9
199.14810	1.7
203.14197	1.2
211.13246	32.4
213.14778	1.5
229.14371	2.3
233.15417	1.3
245.93767	1.1
260.09561	0.8
260.72150	0.8
267.15891	16.3
268.16119	1.2
269.17389	6.4
351.23053	1.0
369.24234	1.9
387.25262	4.0
405.26068	1.4
433.27341	1.0
443.27383	1.6
451.28943	1.0
461.28812	17.0
479.29990	100.0
480.30301	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11797	3.0
56.20807	2.8
57.03427	3.5
65.03922	3.5
67.05486	12.8
69.03414	9.3
69.07045	3.7
69.11604	3.1
69.63569	22.8
70.29318	3.0
71.04994	7.2
79.05458	9.6
81.03387	4.3
81.07050	5.9
83.04957	8.5
85.02873	7.6
91.05451	13.7
93.07017	10.1
95.04960	6.8
95.08603	4.9
97.02877	4.4
105.07001	24.1
107.04922	3.8
107.08553	8.2
109.06509	8.7
109.10150	18.8
117.07001	8.7
119.04921	10.4
119.08580	25.5
121.06519	8.4
121.10144	10.8
122.07113	5.2
123.04408	89.0
123.08080	7.6
125.09579	5.1
127.03921	4.6
131.04901	3.7
131.08577	10.3
133.06482	11.3
133.10075	8.4
135.04457	4.2
135.08052	6.0
135.11687	3.2
137.02304	6.9
137.05911	3.5
137.09610	5.7
139.03888	29.4
143.08527	7.2
145.02769	4.7
145.10063	24.7
146.03200	4.3
147.04387	35.2
147.08034	7.6
147.11649	31.4
149.05922	5.1
151.03883	36.5
155.06979	6.5
156.09286	8.8
157.10060	3.8
159.11626	8.2
161.05977	9.0
163.03918	15.5
163.07468	6.1
163.11156	26.1
164.04248	6.5
165.05472	26.5
165.09155	3.1
171.11679	8.3
174.10350	3.2
175.07544	3.7
177.05412	20.9
177.12741	7.8
178.05794	14.1
181.04843	4.4
189.05441	9.4
189.12708	100.0
193.04903	4.1
203.07066	10.0
205.04944	6.0
207.06583	5.5
217.08556	17.9
219.06563	4.0
225.54755	3.3
227.07037	5.3
229.08580	10.3
243.10120	4.3
253.08575	4.4
257.11911	4.6
259.09909	7.1
271.09552	4.1
273.07529	5.6
273.14966	3.8
285.14865	4.7
291.08585	11.7
299.09366	4.2
303.08530	21.0
309.14804	19.0
317.06607	4.1
321.14746	3.8
321.74185	3.4
327.15817	48.8
339.16165	4.0
341.10187	4.9
379.11633	7.5
385.68033	3.2
411.14355	10.6
423.14813	4.8
461.19537	29.3
479.20490	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01854	1.4
57.03428	0.9
65.03921	2.4
67.05487	0.5
67.45220	0.3
69.03421	3.0
69.29585	4.2
70.59366	0.3
73.02906	8.9
81.03404	6.8
81.07048	1.1
84.33692	0.4
85.02896	4.6
91.05493	0.4
93.03365	0.5
95.04959	6.4
95.08571	0.5
97.02878	5.3
98.21489	0.9
99.04448	1.1
105.07041	0.7
107.08582	0.4
108.02054	0.5
109.02856	3.3
110.03637	0.6
111.04404	2.9
119.04906	0.5
119.08566	0.4
121.02846	100.0
121.10106	0.5
121.33559	0.3
122.03185	1.0
124.07588	0.7
125.05972	11.0
127.03900	2.3
139.03880	17.0
141.05470	0.6
142.08556	1.2
142.23755	0.4
145.04926	1.4
145.10028	0.4
147.04398	1.2
149.05949	1.2
151.03879	33.3
151.04935	1.5
151.07495	1.2
152.04251	0.5
165.26894	0.4
177.05444	1.1
179.07004	9.5
181.08601	0.4
197.08060	47.4
198.08409	0.6
209.08057	0.5
231.52679	0.4
260.87991	0.4
265.07037	9.4
283.08093	9.9
302.04291	0.5
317.06424	1.6
333.06042	0.5
477.36884	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03899	1.5
54.62657	0.3
55.01827	1.0
55.05479	0.3
57.03424	2.2
58.81591	0.3
61.02922	4.1
66.97849	0.3
67.05463	0.6
67.64647	0.3
69.03418	13.5
69.97620	0.3
70.62215	0.8
70.62636	0.6
71.04948	1.5
73.02895	2.1
81.02982	0.4
81.03400	5.2
81.06990	1.0
83.01298	0.5
85.02889	20.3
85.06492	0.4
87.04466	2.1
91.03905	1.4
93.06984	0.4
95.08559	0.6
97.02300	0.5
97.02875	10.3
97.10136	0.3
99.04438	2.0
105.06982	0.6
107.04923	0.5
107.08546	0.6
109.02863	3.3
109.10113	0.6
115.03893	0.4
118.59850	0.3
119.04895	0.4
119.08494	0.5
121.02832	0.4
121.10083	0.7
123.04414	0.7
127.03884	4.8
135.04240	0.3
135.08133	0.4
137.09589	0.8
145.04935	3.0
147.04352	1.0
151.03760	0.4
164.56664	0.4
170.09576	0.6
177.05470	0.8
182.08311	0.5
197.10738	2.4
198.09111	0.7
200.59451	0.3
209.07010	0.7
210.07744	2.0
212.09283	0.7
224.09402	0.5
225.10184	7.3
226.10603	0.5
227.11607	0.4
228.08881	0.7
238.07397	0.4
240.08920	1.2
241.09552	0.4
253.09700	4.7
255.11240	1.9
257.09119	1.7
268.08405	0.8
271.10739	6.9
281.09167	1.3
289.11740	0.4
299.10214	55.2
300.10443	1.3
302.03879	0.4
303.08432	0.4
317.11261	100.0
318.11578	2.3
412.35126	0.4
435.33081	0.4
479.16534	29.3
480.16907	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03925	1.0
53.43172	0.3
55.01851	0.8
57.03421	1.2
61.02925	1.6
63.02910	0.3
65.03919	0.5
67.05476	0.4
67.78207	0.3
69.03423	3.6
70.30714	0.7
70.31113	0.8
71.04986	0.6
73.02920	1.7
81.03419	3.1
81.07018	0.4
81.21514	0.3
85.02898	12.4
91.03957	1.0
91.05449	0.5
92.02606	1.0
93.03387	1.1
93.07033	0.5
95.04949	1.1
97.02876	4.5
98.20767	0.4
99.04426	0.8
109.02852	1.4
109.10136	0.4
111.04410	0.8
121.02853	13.9
121.10154	0.4
125.05964	1.5
126.03078	0.4
127.03905	2.4
130.22331	0.4
135.08028	0.5
139.03883	3.0
145.04915	2.4
151.03893	5.8
151.04982	0.4
151.07480	0.4
153.01799	6.5
165.01814	0.6
177.05487	0.8
179.07019	1.5
189.24818	0.3
197.08046	6.4
201.05441	0.8
210.62077	0.4
217.05006	0.7
218.05688	0.4
228.04138	1.5
229.04924	2.8
245.04509	0.8
246.05173	1.3
257.04422	2.0
265.07141	1.7
271.05963	0.5
273.03787	1.8
274.04694	4.4
283.08084	1.3
284.02853	0.4
285.03891	4.5
302.00690	0.7
302.04172	12.3
317.06525	100.0
318.06906	2.2
461.18979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.3
57.07061	6.2
57.51423	0.9
65.03935	1.1
67.05160	1.7
67.05496	20.3
69.07062	12.9
71.08624	5.3
79.05480	8.4
81.07046	37.9
83.08611	10.9
85.01653	1.1
85.10154	1.6
87.15141	1.0
89.06026	1.7
91.05460	9.1
93.07030	21.3
94.95486	1.1
95.04945	2.5
95.08593	100.0
97.10143	10.4
98.20704	2.6
105.07016	30.1
107.08574	21.6
109.10137	55.7
110.61454	1.1
111.11677	2.0
112.42199	1.0
117.07008	7.2
119.08562	16.9
121.10136	16.1
123.08073	1.2
123.11691	13.3
128.06197	2.6
129.06987	8.0
131.08553	23.0
132.09299	2.1
133.10115	23.2
135.08090	1.5
135.11679	7.8
137.13235	15.6
141.07019	1.8
142.07776	4.3
143.08534	16.2
144.09299	1.5
145.10098	19.8
147.11653	16.9
149.09607	3.7
149.13190	10.0
149.54549	1.1
151.11140	1.2
151.13628	2.0
151.14799	25.7
155.08530	2.5
157.10101	22.6
159.11676	21.5
161.09637	2.3
161.13246	18.8
163.11174	1.9
163.14798	15.2
165.16335	3.2
169.10095	3.8
171.11656	15.3
173.13220	13.3
175.11223	2.5
175.14771	6.8
177.09138	2.8
177.16359	20.0
179.14378	1.6
183.11665	3.4
185.09599	2.5
185.13249	13.6
187.14775	10.9
189.09093	1.3
189.12689	2.7
189.16339	3.7
191.10677	4.0
191.14307	1.3
191.17917	5.5
193.12247	3.4
193.19505	2.1
195.10126	1.8
197.13292	3.4
199.11186	1.4
199.14749	10.2
201.12752	1.5
201.16365	3.1
203.10701	6.3
203.14294	3.9
203.17760	1.6
205.12225	4.3
205.19534	3.3
207.13780	3.1
209.11633	6.3
211.14914	1.8
213.12762	1.8
213.16418	3.0
215.14407	1.6
215.18013	1.5
217.12177	8.5
217.15685	1.8
217.19400	1.4
219.13776	2.8
221.11732	1.5
225.16408	1.8
227.14218	1.8
227.17847	3.0
231.13759	17.3
233.15340	4.2
235.13251	1.8
245.15332	8.8
247.16936	1.7
249.14821	3.2
253.19527	2.2
255.20898	1.4
263.16422	3.8
267.20871	1.9
271.16977	2.6
281.22458	1.7
283.24088	2.1
299.19946	2.6
309.25470	2.5
310.19354	1.4
313.21420	1.7
327.23138	1.7
337.28864	10.1
339.30295	2.5
355.29880	23.3
365.28262	5.3
383.29385	84.6
384.29712	3.6
401.30438	87.7
402.30823	3.9
409.71176	1.2
418.32568	1.6
478.35199	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	478.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21766	1.1
53.03943	2.0
55.01858	2.8
55.05505	12.3
56.96550	4.7
57.03417	2.7
57.07072	2.3
61.02918	3.5
67.05172	1.9
67.05502	24.2
68.05819	1.9
69.03413	2.1
69.07062	10.6
70.07384	1.1
71.04990	2.6
71.63029	2.3
73.02895	1.5
79.05482	16.8
80.05835	1.6
80.22829	1.0
81.03391	5.8
81.07047	40.9
82.03758	1.4
82.07393	1.7
83.04979	3.2
83.08603	5.4
85.02893	6.6
85.06510	1.8
90.55218	1.2
91.03941	2.1
91.05464	17.7
92.05770	1.5
93.07030	35.8
94.07346	2.7
95.04964	8.3
95.08595	38.0
96.08885	2.2
97.02872	4.5
97.06517	3.5
97.10162	3.1
98.97596	1.3
105.07021	34.8
106.07362	1.3
107.04929	3.0
107.08571	31.8
109.06480	3.7
109.10134	26.5
109.10814	2.2
111.08056	2.4
117.07011	8.3
119.08565	26.7
121.06512	3.1
121.10125	21.4
123.08041	2.9
123.11683	9.8
125.09625	2.3
128.06203	3.5
129.07019	9.0
130.07736	1.7
131.08553	26.1
133.10109	26.6
135.08022	2.3
135.11673	13.7
137.09532	1.3
137.13248	2.4
139.11200	3.2
141.06973	2.0
142.07745	4.3
143.08548	22.6
144.09357	1.5
145.06465	1.9
145.10104	27.2
147.08008	1.8
147.11662	20.8
149.05972	1.8
149.09579	3.9
149.13235	7.7
151.11143	2.5
151.14719	1.3
154.07738	1.4
155.08522	13.9
156.09323	4.4
157.10120	30.5
159.11662	29.9
160.12022	1.8
161.09583	1.9
161.13234	12.3
163.11183	4.8
163.14810	2.7
164.41496	1.4
167.08447	2.2
169.10124	16.4
170.10809	2.6
171.11661	21.5
173.09618	4.0
173.13228	14.7
175.11111	4.0
175.14812	4.6
176.11652	1.1
177.09120	1.1
177.12708	4.6
181.10124	4.1
183.11688	10.3
185.13211	15.7
187.11131	4.3
187.14819	5.2
189.12700	3.1
191.10722	1.8
191.14359	1.7
193.12204	3.4
195.10110	1.6
195.11667	6.1
197.13196	9.8
199.11153	1.6
199.14771	6.5
201.09079	2.7
201.16458	2.0
203.10637	5.1
203.14247	2.8
205.12216	2.6
207.11665	2.3
207.13731	1.4
209.11627	2.3
209.13290	6.7
211.13133	1.8
211.14868	4.9
213.12814	2.1
213.16368	4.3
215.10643	5.1
215.14236	2.5
217.12193	6.5
221.13266	1.6
223.14764	5.3
225.12854	2.2
225.16351	4.7
226.17256	1.6
227.17912	1.5
229.12238	4.6
231.13733	10.5
237.16461	2.6
243.13838	7.0
245.15430	2.2
249.14783	3.3
251.17961	7.4
255.13776	3.4
261.14819	2.2
265.19492	2.5
267.15936	2.0
269.15445	3.0
279.21063	19.8
281.22601	3.8
283.16977	2.1
291.21121	1.9
297.18796	2.7
297.21994	14.8
299.23691	3.4
307.20511	5.5
309.22113	2.3
309.39395	1.3
319.24103	6.5
325.21579	67.1
326.21942	2.3
327.26755	1.7
337.25232	18.4
343.22629	100.0
344.23080	3.4
347.23541	2.1
349.16888	4.8
355.26224	20.0
356.11011	1.3
356.14749	7.6
356.64981	2.2
365.24716	20.7
383.25787	32.8
384.25848	1.7
386.23761	2.1
401.26807	7.8
415.37109	1.5
460.27631	3.5
461.28778	1.4
478.30533	18.5
479.30060	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	478.2922
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05300	0.8
55.05501	9.7
57.03419	4.3
57.07055	1.4
58.80920	0.8
62.05787	1.9
62.06084	31.7
67.05499	26.1
69.07062	13.3
69.50513	2.2
69.50915	6.9
71.08599	1.3
73.29482	0.8
79.05472	8.0
80.82156	1.0
81.07050	27.0
83.08611	6.3
91.05451	3.8
93.07039	9.3
95.04932	1.1
95.08596	19.0
97.06514	1.0
97.10159	3.0
98.06047	2.3
98.98450	8.1
105.07005	3.2
107.08564	4.6
109.10138	7.5
109.64642	1.0
114.91064	1.2
119.08534	3.6
121.10103	3.8
123.11697	2.7
124.01590	2.0
131.72951	0.9
133.10115	2.4
135.11659	3.2
137.13229	1.4
147.11600	1.9
149.13254	1.4
155.01030	6.6
161.13277	1.2
173.02068	2.1
175.14696	1.1
197.69202	0.9
198.05228	2.2
207.10378	0.9
216.06265	4.3
245.22580	2.5
263.23709	6.0
292.79767	1.0
306.27853	32.0
319.25946	1.0
337.27319	100.0
338.27576	4.5
417.23990	2.8
460.23019	1.0
460.28397	9.4
478.29202	5.6
491.08600	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2921
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03927	0.6
55.01858	0.5
55.05503	11.2
57.03428	7.3
57.07069	1.9
62.06066	0.7
65.03928	0.6
67.05493	23.7
69.07054	15.1
69.50700	1.5
69.51130	1.0
71.04970	0.8
71.08595	0.8
77.12048	0.3
79.05050	0.5
79.05480	6.8
81.07043	23.1
82.07359	0.5
83.04955	0.8
83.08605	7.8
85.06505	0.7
91.05477	3.4
93.07026	7.3
95.04942	0.9
95.08588	18.8
97.06516	1.6
97.10155	3.5
98.06013	0.6
98.98379	0.4
99.08075	0.5
101.74448	0.3
105.07024	3.3
107.08569	4.0
109.06469	0.4
109.10139	6.2
111.08051	0.7
111.11699	0.7
119.08557	2.7
121.10139	2.4
123.08009	0.3
123.11675	2.5
125.09590	0.9
133.10124	2.5
135.11694	1.9
137.13202	1.0
145.10133	0.3
147.11670	1.4
149.13298	0.6
156.31279	0.3
161.13246	0.6
163.14813	0.7
163.87083	0.3
175.14777	0.7
189.16368	0.3
198.05302	0.4
216.06279	0.6
245.22528	0.5
263.23679	0.9
306.27859	4.5
337.27307	100.0
338.27670	3.7
478.28891	1.0
479.29926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.3
55.01856	2.0
55.05502	7.3
56.38588	0.7
57.03418	1.8
61.02902	2.2
67.05165	1.2
67.05496	15.3
68.05805	0.8
69.03413	1.7
69.07053	4.5
69.28973	4.1
69.29406	3.7
71.04963	1.7
73.02899	1.0
75.34663	0.8
79.05479	23.3
80.05823	1.6
81.03414	4.4
81.07052	13.6
82.07370	0.9
83.04949	4.8
83.08621	3.6
85.02910	4.1
85.06541	1.6
91.03950	0.8
91.05469	16.6
93.06461	1.3
93.07032	25.7
94.07393	1.0
95.04945	8.1
95.08589	8.4
97.02853	2.1
97.06520	2.0
97.10171	3.4
99.08032	0.7
105.03367	1.2
105.07019	15.0
106.07372	1.3
107.04926	2.8
107.08575	10.7
108.05270	0.7
109.06477	2.3
109.10139	4.0
111.08064	1.2
117.07011	3.5
119.04939	1.3
119.08562	8.9
121.06493	2.4
121.10114	4.7
123.08042	2.8
123.11652	1.0
125.09583	1.9
127.03909	1.4
129.07004	5.8
131.04994	0.8
131.08539	2.8
133.06442	1.2
133.10124	4.6
135.08044	0.9
135.11632	1.4
136.46576	0.6
143.08513	3.2
145.06497	1.0
145.10101	3.2
146.06927	0.9
147.04398	4.0
147.08031	1.5
147.11671	13.8
148.12044	0.9
149.09613	1.0
149.13202	2.2
155.05998	1.2
159.11639	1.2
161.09567	2.0
161.13231	4.6
163.11214	1.0
165.09108	2.8
169.07553	1.2
171.11659	10.6
175.11247	0.6
176.10582	1.1
189.11195	1.2
189.12711	4.0
193.07561	0.8
195.05507	1.5
197.07059	1.3
205.10953	1.6
207.13760	10.7
213.06511	1.3
221.07115	1.7
225.06552	2.7
233.15323	1.0
239.08208	1.3
267.07614	1.4
271.07169	1.8
281.17429	100.0
282.17725	1.7
285.08649	2.0
295.07040	2.3
299.18542	1.7
313.08096	1.6
330.88998	0.7
368.22931	3.1
386.24075	5.4
404.25119	1.3
416.24039	3.6
418.14026	2.9
443.22375	0.9
460.15045	2.9
460.27310	8.2
478.16058	6.2
478.28851	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	478.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	0.3
65.03915	0.5
65.57018	0.3
69.03397	1.0
69.33888	0.2
71.61294	0.4
74.09701	0.5
78.22302	0.3
81.03389	1.1
84.04496	0.3
85.02883	1.5
91.04955	0.5
91.05469	5.3
95.04950	0.5
99.04432	0.5
109.02850	0.4
117.03367	0.3
119.04920	15.4
121.02856	0.3
123.04420	0.3
124.07562	0.7
127.03872	0.6
132.99487	0.3
135.04398	0.9
136.07509	0.3
138.09125	0.4
145.02832	0.3
145.04922	0.3
147.04381	100.0
148.04735	0.9
149.09657	0.4
152.07086	0.3
154.08614	0.8
163.03893	4.0
165.05463	1.8
169.04991	0.3
177.05383	0.6
177.09053	0.5
195.10133	1.0
220.13780	0.3
228.25694	0.2
237.07970	0.3
270.11487	0.4
281.10342	0.3
291.08682	1.3
299.11151	1.6
309.09656	4.4
316.13791	1.6
319.27542	0.2
389.92520	0.3
392.59482	0.3
437.72662	0.3
478.17664	1.2
478.25146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.3
61.50370	0.3
65.03947	0.6
69.03413	0.6
71.32249	0.7
80.56179	0.3
81.03415	0.7
85.02878	0.9
91.05473	5.0
96.11936	0.3
99.04478	0.3
107.04933	0.4
109.02870	0.4
119.04932	14.8
122.07159	0.4
129.47917	0.3
135.04385	0.3
145.02794	0.4
147.04393	100.0
148.04709	1.2
150.91376	0.3
153.07532	0.4
154.08607	0.4
163.03897	2.3
165.05443	1.8
169.04875	0.5
177.05470	0.7
184.07277	0.4
281.10104	0.4
291.08664	0.4
299.11234	1.6
309.09607	3.8
316.14099	0.3
445.63977	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99046	0.5
53.03925	1.5
55.05492	0.7
55.27982	0.5
65.03931	2.8
69.03413	1.5
71.62690	0.8
72.08134	1.2
79.05479	5.2
80.04996	1.0
81.03407	4.1
81.05765	1.6
81.07055	1.0
83.04958	1.3
85.02890	1.4
91.05463	6.8
92.04993	5.6
95.04944	1.2
96.08115	5.2
97.02837	0.9
99.51573	0.6
106.06537	36.8
107.04911	0.9
108.08101	11.5
109.02869	1.5
109.05260	1.1
117.03370	2.0
119.04922	19.7
121.02822	1.2
122.05990	0.9
122.07146	0.6
123.06778	5.8
124.07565	24.0
127.03908	0.6
134.05989	21.2
135.04379	0.9
136.07544	3.2
145.02840	6.6
147.04384	100.0
148.04739	3.1
148.07492	1.0
152.07042	61.7
162.29646	0.6
163.03839	1.7
165.05493	1.9
170.08098	44.3
177.05452	17.7
244.09526	0.7
252.10158	3.1
280.09628	2.4
291.08551	3.3
298.10672	1.7
309.09695	2.4
310.51682	0.6
314.12354	3.9
316.11322	0.6
332.13394	7.8
341.85544	0.6
358.91193	0.5
442.14868	0.7
460.15970	17.5
460.22485	0.9
478.17044	56.3
479.17026	1.5
486.00937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01846	0.2
55.05494	0.3
57.03428	0.2
58.45752	0.2
65.03922	0.9
67.05509	0.3
69.03404	0.8
69.07047	0.4
69.70800	0.4
69.71208	1.0
72.04522	0.2
79.05477	0.3
81.03406	1.2
81.07031	0.7
83.04953	0.2
85.02882	1.0
85.06541	0.6
86.09682	0.2
91.05463	6.8
93.07027	0.7
95.04957	0.4
95.08566	0.7
97.02868	0.6
97.06496	0.3
99.04416	0.3
105.07011	0.6
107.04954	0.2
107.08553	0.8
109.02834	0.6
109.06494	0.3
109.10136	0.5
111.08044	0.2
115.03908	0.2
119.04923	19.4
119.08549	0.5
120.05283	0.2
121.02872	0.3
121.10123	0.7
123.08074	0.2
124.07490	0.2
127.03858	0.3
128.56190	0.2
129.06973	0.3
132.10150	0.2
133.10069	0.2
135.08061	0.4
137.05928	0.3
137.09573	0.4
145.10086	0.6
147.04385	100.0
148.04723	1.3
149.09631	0.4
149.13043	0.2
151.11160	0.2
154.08534	0.3
163.11189	0.2
165.05452	0.8
165.09114	0.3
167.07024	0.3
167.10652	0.5
167.14326	0.3
177.05469	0.4
181.08481	0.9
185.69247	0.2
191.03362	0.9
213.58427	0.2
223.09512	0.3
234.98860	0.2
240.09341	0.2
244.09015	0.2
263.16348	0.3
281.17319	0.3
285.07599	0.3
291.08685	0.7
299.18604	0.2
304.05264	0.5
309.09665	0.6
316.10135	0.2
317.06659	0.2
337.13959	0.2
367.13992	0.2
437.12143	0.2
478.17325	0.3
478.28046	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99046	0.5
53.03925	1.5
55.05492	0.7
55.27982	0.5
65.03931	2.8
69.03413	1.5
71.62690	0.8
72.08134	1.2
79.05479	5.2
80.04996	1.0
81.03407	4.1
81.05765	1.6
81.07055	1.0
83.04958	1.3
85.02890	1.4
91.05463	6.8
92.04993	5.6
95.04944	1.2
96.08115	5.2
97.02837	0.9
99.51573	0.6
106.06537	36.8
107.04911	0.9
108.08101	11.5
109.02869	1.5
109.05260	1.1
117.03370	2.0
119.04922	19.7
121.02822	1.2
122.05990	0.9
122.07146	0.6
123.06778	5.8
124.07565	24.0
127.03908	0.6
134.05989	21.2
135.04379	0.9
136.07544	3.2
145.02840	6.6
147.04384	100.0
148.04739	3.1
148.07492	1.0
152.07042	61.7
162.29646	0.6
163.03839	1.7
165.05493	1.9
170.08098	44.3
177.05452	17.7
244.09526	0.7
252.10158	3.1
280.09628	2.4
291.08551	3.3
298.10672	1.7
309.09695	2.4
310.51682	0.6
314.12354	3.9
316.11322	0.6
332.13394	7.8
341.85544	0.6
358.91193	0.5
442.14868	0.7
460.15970	17.5
460.22485	0.9
478.17044	56.3
479.17026	1.5
486.00937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06695	0.1
55.05489	0.3
57.03416	0.3
61.02908	0.2
62.06075	0.2
65.03893	0.7
67.05481	0.5
69.03413	0.9
69.07044	0.2
71.04980	0.2
71.15421	0.1
71.62644	0.2
71.63026	0.1
73.02897	0.4
79.05461	0.3
81.03394	1.0
81.07052	0.8
83.04944	0.2
85.02884	0.8
85.06509	0.4
86.09710	0.1
87.04449	0.2
91.05461	6.2
93.07012	0.7
95.04951	0.5
95.08569	0.5
97.02858	0.6
97.06508	0.3
99.04424	0.2
105.07005	0.4
105.53369	0.1
107.04915	0.2
107.08570	0.8
109.02852	0.6
109.06509	0.2
109.10126	0.5
110.05972	0.2
111.08051	0.2
119.04915	16.9
119.08525	0.4
120.05244	0.3
121.06490	0.4
121.10117	0.6
123.04474	0.2
123.11703	0.2
125.09560	0.2
127.03904	0.3
131.08562	0.3
133.10052	0.4
135.08026	0.4
135.11653	0.3
137.05911	0.4
137.09567	0.5
145.10077	0.3
147.04378	100.0
148.04721	1.6
149.09561	0.3
149.13185	0.2
154.08592	0.5
157.02921	0.1
159.11710	0.2
161.09630	0.4
161.13206	0.2
163.03867	0.3
165.05466	0.7
165.09099	0.5
167.10634	0.6
167.14308	0.4
177.05518	0.2
181.08566	0.8
191.03300	0.7
191.07016	0.2
223.09618	0.3
245.15305	0.2
248.14989	0.2
263.16452	0.3
265.40540	0.1
281.17511	0.4
291.08545	0.4
299.18536	0.2
303.04947	0.3
304.05264	0.5
309.09772	0.8
309.43118	0.1
317.06519	0.2
352.18881	0.2
414.56494	0.1
478.17035	0.3
479.18472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3928
Annotation	Hopane-6Beta,11Alpha,22,27-Tetraol
Peak:m/z	Relative Intensity
53.03948	4.5
55.01863	21.4
55.05511	28.3
57.07061	22.9
67.05494	23.2
69.03414	7.9
69.07054	38.9
69.45796	8.7
69.46203	38.7
71.08621	15.3
72.43372	4.8
79.05479	15.6
81.07049	53.8
83.04968	9.7
83.08608	12.5
85.10185	13.2
91.05478	32.7
93.07034	33.1
95.08588	54.0
97.10161	18.8
105.07053	27.0
107.08578	21.3
109.10130	31.3
111.11720	10.4
117.06969	9.4
119.08565	25.7
121.10143	19.1
123.11698	14.8
129.05464	20.7
129.06932	6.8
131.08563	34.7
133.10097	28.9
135.08089	6.1
135.11662	15.6
143.07036	8.8
143.08543	10.1
145.10135	30.5
147.07904	5.1
147.11668	22.9
157.10109	14.6
159.11617	34.6
161.13182	12.0
163.11169	4.7
169.08592	20.5
171.11646	14.5
173.13243	14.7
183.10190	9.0
185.13284	19.8
187.14815	18.4
193.12137	5.5
198.93710	4.8
199.14833	8.3
213.16261	6.0
227.17958	8.7
233.15251	9.6
247.17012	5.8
264.51062	5.4
287.20001	11.3
301.21704	10.8
309.05264	6.5
367.33557	17.0
381.35178	6.1
387.15909	6.2
389.17627	7.2
391.18863	6.3
402.18576	6.3
403.19412	8.3
409.34348	6.1
417.33661	25.4
427.35428	9.6
441.37302	77.3
459.38312	92.8
462.20590	17.6
477.22574	100.0
477.32724	6.3
478.23129	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	477.393
Annotation	Hopane-6Beta,11Alpha,22,27-Tetraol
Peak:m/z	Relative Intensity
55.01865	3.8
55.05500	23.3
57.07064	41.7
61.02888	4.0
67.05496	24.4
69.07056	60.0
70.87814	11.1
71.08625	27.6
74.83666	3.4
79.05482	15.0
81.07042	66.6
83.04967	3.8
83.08614	19.2
85.10146	24.1
91.05457	21.2
93.07021	34.0
95.04924	4.9
95.08032	6.8
95.08590	67.9
97.06490	4.0
97.10169	22.6
103.03908	10.1
105.07010	45.7
107.08566	50.8
109.06490	3.8
109.10143	40.3
111.11684	10.7
112.26318	4.2
117.06970	8.4
119.08565	39.4
121.10120	37.1
123.11701	19.6
125.13248	7.5
129.05446	9.8
129.06958	5.0
131.08533	34.7
133.10126	29.7
135.08081	4.7
135.11655	19.1
137.13220	9.7
137.57127	3.3
138.39252	4.0
139.07535	4.2
143.08525	8.7
145.10078	50.7
147.08044	4.0
147.11621	31.5
149.13252	21.8
151.14780	5.1
156.09392	5.5
157.10075	13.5
159.11674	34.0
161.13216	19.3
163.14777	9.7
169.08539	9.0
171.11653	12.6
173.09622	7.8
173.13229	17.6
175.11174	5.7
175.14798	10.4
177.16420	4.5
179.10646	11.4
183.11578	4.6
185.13219	15.4
187.14787	12.7
189.12692	4.8
189.16371	10.8
191.10724	4.7
193.12218	4.3
199.11305	4.2
199.14738	11.2
201.16341	5.0
203.17920	11.8
205.12212	18.3
207.13756	6.2
213.12814	3.4
213.16348	14.1
217.19443	4.8
219.13814	8.5
221.15300	5.5
227.17862	12.5
233.15195	7.6
233.22702	4.6
241.16299	3.7
241.19196	3.7
245.15337	4.3
247.17056	9.9
247.24226	6.3
259.17023	7.6
261.18427	4.5
261.25790	9.7
269.19067	6.0
277.18347	4.0
285.36752	3.5
287.20026	15.2
287.27487	4.5
291.19766	3.9
301.21558	13.6
301.28824	4.6
303.30548	4.0
341.31973	14.4
343.26340	4.2
343.33475	36.0
347.32941	15.2
367.33615	15.5
380.30807	3.9
385.34735	4.3
403.35907	5.1
409.34534	12.2
415.35641	4.4
417.33472	6.9
427.35709	18.0
435.34860	4.0
441.37204	100.0
445.36804	27.8
459.38333	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81127	0.2
55.01863	1.3
55.05499	6.5
57.03429	1.7
57.07042	0.5
59.04968	0.5
65.03931	0.5
67.05495	9.8
67.11821	0.2
68.05807	0.2
69.03411	1.3
69.07059	5.8
69.67541	0.2
71.01321	0.2
71.04958	0.8
72.03883	0.2
79.05481	7.2
81.03407	6.1
81.07045	10.2
82.07352	0.4
83.04972	2.5
83.08131	0.3
83.08607	4.4
85.02869	0.9
85.06512	0.9
91.05462	6.4
92.05788	0.3
93.03368	0.2
93.07030	6.0
95.04958	4.0
95.08591	4.8
96.08944	0.2
97.02860	0.4
97.06533	1.5
97.10153	4.3
99.04417	0.4
99.08058	0.4
101.05976	0.2
103.05432	0.5
105.07019	5.2
107.04932	3.6
107.08575	4.4
107.31261	0.2
107.83691	0.2
108.08861	0.2
109.02830	0.4
109.06516	1.5
109.10140	6.9
110.10474	0.3
111.04447	0.5
111.08064	1.3
111.11696	1.4
113.05962	0.3
115.05390	0.6
117.07002	2.5
119.04912	0.4
119.08564	5.8
121.06483	2.3
121.10124	2.5
122.07275	1.5
123.04409	0.4
123.08051	1.5
123.11694	2.3
125.05955	0.4
125.09608	3.3
127.07541	0.3
127.11152	0.5
128.06244	0.4
129.06972	2.1
131.04877	0.6
131.08556	2.6
133.06483	1.0
133.10115	2.7
134.10518	0.2
135.08041	1.2
135.11659	1.3
137.05949	0.5
137.09590	11.1
137.13206	0.4
138.09930	0.3
139.11200	1.5
141.06923	0.6
142.07715	0.3
143.08585	1.1
143.10744	0.2
145.06445	1.8
145.10120	2.0
147.04375	0.8
147.08023	1.5
147.11682	2.9
149.05959	0.4
149.09576	1.6
149.13249	0.7
151.07512	0.4
151.11163	0.2
153.09074	0.9
153.12726	0.5
155.08542	0.7
157.06502	0.4
157.10120	1.7
157.12112	0.2
159.08005	0.5
159.11609	1.0
161.06062	0.2
161.09615	0.7
161.13243	0.4
163.11165	1.1
165.09085	100.0
166.09425	1.9
167.07066	0.2
167.08479	0.2
169.10106	0.8
171.08029	0.3
171.10182	0.3
171.11673	0.6
173.09610	0.7
173.13232	0.4
175.11157	1.5
177.12794	0.3
179.10544	0.5
181.10112	0.6
183.11688	0.4
185.09615	0.5
185.13280	0.7
187.11147	0.6
187.14737	0.2
189.09187	0.3
189.11197	1.9
189.12785	0.6
189.16409	0.2
191.10576	0.4
193.12213	3.9
195.11899	0.3
195.13802	0.3
197.09727	0.3
197.13187	0.3
199.11203	0.3
199.14909	0.3
203.10687	0.6
203.14323	0.3
205.12251	1.1
211.13214	1.5
213.12657	0.4
213.16432	0.3
215.14276	0.6
217.12204	0.3
219.13802	0.3
225.12643	0.3
227.12555	1.2
229.72916	0.2
233.15326	1.4
235.13164	0.2
237.12723	0.3
241.14371	0.4
243.13841	0.3
249.14969	0.7
257.15375	0.5
267.15863	3.0
268.16116	0.3
271.16992	0.2
273.14841	1.3
277.25256	0.2
287.16385	0.3
287.19641	0.2
289.25269	0.6
291.16086	0.5
295.26453	0.2
307.26276	3.6
339.23282	0.7
349.21747	1.3
357.24274	0.7
367.22632	3.9
367.27228	0.2
368.23279	0.3
385.23666	8.5
386.24265	0.9
403.24762	2.5
404.25226	0.2
423.24915	0.3
433.25922	0.3
441.26395	0.9
441.33719	0.6
459.27341	9.1
459.34525	1.1
460.27933	1.4
477.28424	11.1
478.28586	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01864	1.4
55.05507	5.1
57.03420	1.6
57.07051	0.4
59.04982	0.4
65.03929	0.6
67.05497	10.0
68.05829	0.2
69.03401	1.3
69.07056	3.6
70.25629	0.7
70.26029	0.4
71.04971	1.0
73.58643	0.2
77.03859	0.2
79.05485	8.2
79.05943	0.5
81.03407	6.4
81.06584	0.6
81.07047	10.9
82.07343	0.3
83.04971	3.2
83.08608	4.4
85.02878	1.0
85.06509	0.8
87.54006	0.2
91.05473	7.3
92.05766	0.4
93.06466	0.4
93.07032	6.6
95.04961	4.8
95.08594	6.2
97.02873	0.6
97.06520	1.5
97.10157	3.8
99.04433	0.5
99.08056	0.5
103.05422	0.3
105.07018	5.8
106.07337	0.3
107.04935	4.0
107.08582	5.4
108.08904	0.3
109.06499	1.9
109.10142	7.0
111.04426	0.6
111.08016	1.3
111.11708	0.4
112.72448	0.2
113.06023	0.3
113.09626	0.3
115.05447	0.4
117.07003	2.4
119.04973	0.3
119.07786	0.4
119.08566	5.7
121.06519	2.0
121.10124	2.9
122.07346	1.2
123.04400	0.6
123.08066	1.2
123.11686	4.0
125.09630	3.0
127.11182	1.7
128.06262	0.4
129.06972	2.2
131.04892	0.5
131.08559	2.9
133.06450	1.1
133.10101	3.4
134.10445	0.3
135.04428	0.4
135.08051	1.4
135.11676	2.4
137.05983	0.3
137.09599	11.6
137.13214	0.6
139.11128	0.4
141.06943	0.5
142.07748	0.3
143.08575	1.2
143.10664	0.3
145.06467	1.6
145.10091	2.5
146.10454	0.4
147.04358	0.6
147.08044	1.4
147.11687	2.0
149.06029	0.4
149.09616	2.1
149.13251	1.2
151.07524	0.4
151.11183	0.8
153.09067	1.3
153.12709	1.0
154.07768	0.3
155.08513	0.8
157.10110	1.8
159.08031	0.4
159.11665	1.1
161.05980	0.5
161.09550	0.6
161.13202	0.3
163.11183	1.4
163.14813	0.4
165.09094	100.0
166.09436	1.5
167.08450	0.2
169.10126	0.8
171.10246	0.3
171.11658	0.8
173.09621	0.8
173.11832	0.3
173.13223	0.4
175.07526	0.4
175.11166	1.6
177.09113	0.6
177.12810	0.5
181.10120	0.3
181.12244	0.5
183.11661	0.4
185.09702	0.3
185.13307	0.6
187.11189	0.4
187.14877	0.6
189.09097	0.4
189.11189	1.2
189.12761	0.6
191.10692	0.5
193.12247	2.6
195.13922	0.3
197.13231	0.6
199.11122	0.7
201.16310	0.3
203.10689	0.9
203.12532	0.3
203.14340	0.4
205.12222	3.8
206.05043	0.3
209.11661	0.6
209.13481	0.4
211.11241	0.5
211.13304	1.4
213.12729	0.5
215.14294	0.7
217.12193	0.5
219.13989	0.3
223.13293	0.6
227.12653	1.1
228.13144	0.4
231.13852	0.3
233.15372	1.1
237.12634	0.3
237.18456	0.7
237.22159	0.2
245.15384	0.7
248.61276	0.2
249.14839	0.6
255.13829	0.5
257.15378	0.3
267.15900	2.6
273.14914	0.8
289.25275	0.5
291.16043	0.3
295.26392	0.3
301.18127	0.2
307.26410	1.1
315.19531	0.3
339.23126	0.7
349.21692	1.1
357.24225	0.8
367.22604	3.5
368.23203	0.3
385.23694	7.5
386.23944	0.6
403.24680	1.8
433.25955	0.3
441.26587	0.7
441.33719	1.2
459.27390	8.7
459.34616	0.9
460.27835	0.9
477.28391	13.8
478.28781	1.3
485.37122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01651	0.2
55.01859	1.9
55.03348	0.2
55.05505	6.6
56.05820	0.3
57.03403	1.2
57.07037	0.5
59.04984	0.2
65.03912	0.5
67.05495	9.6
68.05807	0.5
68.25500	0.2
69.03400	1.0
69.06725	0.5
69.07059	6.5
71.04958	0.9
79.05058	0.5
79.05482	7.2
81.03411	7.8
81.07048	12.6
83.04962	2.6
83.08606	4.3
85.02866	0.9
85.06519	0.6
91.05470	8.1
92.05785	0.4
93.07028	5.3
95.04959	4.8
95.08594	5.2
96.05273	0.3
96.08909	0.4
97.02908	0.4
97.06526	1.8
97.10154	3.8
99.08066	0.7
103.05443	0.5
105.06371	0.4
105.07022	5.9
107.04939	4.1
107.08575	4.8
107.19080	0.2
108.08936	0.3
109.06484	1.8
109.10141	6.7
111.04415	0.5
111.08057	1.6
111.11692	1.1
113.05972	0.4
115.05396	0.6
117.07007	1.9
119.04967	0.5
119.08558	6.7
120.08865	0.4
121.02811	0.3
121.06495	2.6
121.10133	2.4
121.80514	0.3
122.07247	1.1
123.04451	0.5
123.08046	1.2
123.11704	3.0
125.05986	0.3
125.09613	3.7
126.09924	0.5
127.11153	0.6
128.06194	0.4
129.06987	2.1
131.04910	0.5
131.08565	3.4
133.06447	1.4
133.10117	2.5
135.04376	0.4
135.08044	1.2
135.11664	1.6
136.12018	0.3
137.05949	0.5
137.09595	10.2
137.13168	0.3
139.07565	0.3
139.11174	1.4
141.06952	0.4
142.07805	0.3
143.08548	1.5
145.06427	1.5
145.10092	1.6
147.04391	0.7
147.08015	1.2
147.11668	3.6
149.09610	1.7
149.13174	0.5
151.07532	0.5
151.11189	0.7
153.09084	0.9
153.12723	1.0
155.08536	0.7
157.06575	0.5
157.10117	2.3
157.12169	0.5
159.08014	1.1
159.11646	1.2
161.05893	0.3
161.09627	0.7
163.11168	1.0
165.09091	100.0
166.09447	2.2
167.07027	0.2
167.08490	0.4
169.10106	0.6
171.08075	0.7
171.11688	0.8
173.09628	0.7
173.13187	0.3
175.11224	2.2
177.12651	0.4
181.10132	0.4
183.11633	0.4
185.09576	0.3
185.13277	0.6
187.11156	0.4
187.14799	0.7
189.11189	1.6
189.12794	0.8
191.10652	0.4
193.12207	3.7
195.11688	0.7
195.13794	0.3
197.13297	0.5
199.11098	0.5
203.10728	0.6
203.14255	0.6
205.12239	0.8
209.11577	0.4
209.13336	0.3
211.13159	1.5
215.14314	0.3
219.13802	0.3
223.11249	0.5
225.12733	0.4
227.12564	1.3
228.13033	0.3
233.15350	1.4
241.12230	0.3
241.14386	0.4
245.15488	0.3
247.12988	0.3
249.14790	0.6
255.13850	0.4
257.15402	0.3
267.15894	3.3
273.14804	1.5
279.02243	0.3
287.16275	0.3
289.25281	0.7
307.26297	2.8
308.26907	0.4
311.20001	0.3
339.23279	0.8
349.21402	1.7
350.22015	0.3
357.24219	0.8
367.22641	4.2
368.23105	0.3
385.23718	8.1
386.24176	0.6
396.74005	0.3
403.24588	2.2
405.24329	0.5
423.25198	0.4
424.33197	0.3
433.25739	0.4
441.26312	1.1
441.33725	0.6
442.26758	0.3
459.27420	8.2
459.34570	1.3
460.27661	1.0
477.28320	14.6
478.28711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.284
Annotation	Hongdoushan B
Peak:m/z	Relative Intensity
55.01851	8.5
55.05257	3.4
55.05504	42.0
57.03426	9.9
59.04979	1.9
62.49998	1.9
65.03915	2.3
67.05490	42.6
69.03404	8.4
69.07057	12.3
69.67513	1.7
69.74814	12.8
71.04991	2.7
74.40701	1.8
77.59525	1.5
78.01110	1.7
79.05054	3.0
79.05484	45.4
81.03407	56.2
81.07046	38.6
83.04960	6.2
83.08605	23.2
85.02903	4.6
91.04958	2.6
91.05467	32.5
93.07029	25.1
95.04958	29.6
95.08598	19.5
97.06505	7.6
97.10150	34.6
105.07001	26.0
107.04929	25.9
107.08572	18.4
109.06482	9.3
109.10150	14.8
111.08053	8.0
115.05438	4.5
115.29729	1.7
117.07005	13.2
119.04876	2.9
119.08562	19.8
121.06484	27.4
121.10133	10.6
123.08018	11.3
125.09603	24.9
129.06979	15.1
131.04906	4.4
131.08556	17.8
133.06473	9.4
133.10118	9.1
135.08012	11.2
141.06958	5.9
142.07732	2.8
143.08502	6.8
145.06462	17.3
145.10118	11.5
147.04399	3.4
147.08078	9.7
147.11661	7.9
149.06007	2.3
149.09572	7.3
151.07506	6.8
153.09059	5.1
153.12706	2.2
155.08516	4.9
157.06409	3.4
157.10097	10.8
159.08066	6.7
159.11618	3.8
161.06006	2.6
161.09575	5.1
163.11189	7.0
165.09108	2.6
167.08530	2.2
169.06538	2.3
169.10089	5.0
171.08032	3.8
171.11655	6.8
173.09642	5.4
175.11147	8.9
182.65570	2.5
183.11658	3.3
185.09544	5.1
185.13266	5.0
187.11230	2.3
187.14873	3.5
189.11180	15.8
189.12697	3.7
193.12189	27.6
195.11723	3.1
197.09683	2.9
197.13271	3.6
199.11150	4.8
199.19075	1.9
205.12091	3.5
205.15938	3.5
211.11255	2.9
211.13179	3.6
213.12633	2.7
215.10736	3.1
215.14323	5.4
217.12219	2.9
217.15947	2.2
219.13687	2.3
223.13164	3.5
225.12666	2.4
227.12654	17.0
227.14200	1.6
231.13815	2.1
233.15352	15.3
237.12709	3.6
241.14355	4.2
245.15318	4.3
249.14969	2.4
255.13841	2.3
257.15576	2.6
259.13193	2.2
267.15891	50.0
272.96829	1.9
273.14838	11.0
275.16449	2.2
323.20020	3.7
339.23096	4.9
341.21179	10.2
349.21475	11.0
357.24182	7.8
367.22580	27.0
385.23682	61.4
386.23889	3.4
403.24786	26.8
404.66110	1.9
415.24542	5.4
421.25702	2.5
433.25748	23.6
441.26215	7.4
459.27319	100.0
460.27695	7.9
477.28391	60.4
478.28595	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	477.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38687	1.6
53.02943	2.4
53.03163	3.1
53.03923	6.3
55.01852	8.0
55.05265	3.2
55.05505	47.0
57.03424	12.7
61.32719	1.6
64.17181	1.7
67.05493	46.0
69.03409	8.4
69.07051	14.3
70.29121	8.2
71.04981	5.4
79.05054	3.1
79.05482	49.4
81.03403	49.0
81.07046	39.8
83.04961	9.4
83.08601	26.8
83.79751	1.7
85.02869	5.1
85.06503	3.0
91.05460	36.7
92.07745	1.9
93.07033	31.3
95.04958	31.3
95.08583	19.3
97.02859	2.1
97.06511	6.7
97.09529	2.6
97.10149	35.4
98.20764	1.7
105.03383	2.2
105.06363	3.1
105.07013	30.7
107.04939	24.9
107.08581	24.7
109.06486	8.1
109.10145	14.8
111.04403	2.4
111.08042	6.1
113.05968	1.9
115.05417	3.0
115.20016	1.6
116.06190	2.2
117.06994	15.1
119.04939	3.9
119.08554	21.6
121.06489	26.6
121.10116	10.5
123.04369	3.6
123.08041	6.5
123.11699	1.7
125.09603	26.3
128.06163	2.0
129.06985	16.8
131.04903	5.6
131.08553	24.8
133.06487	12.2
133.10094	10.9
135.04305	2.1
135.08038	12.1
135.11652	3.9
137.09586	5.5
141.06978	5.0
142.07722	3.4
143.08537	11.5
145.06480	14.9
145.10109	12.0
147.04335	5.2
147.08028	9.7
147.11676	12.7
149.05972	2.6
149.09601	9.3
149.13237	3.5
151.11185	3.2
153.09038	4.4
155.08562	4.4
157.06427	3.6
157.10110	11.7
159.08014	5.9
159.11642	5.4
161.05977	2.4
161.09573	5.5
163.11140	5.0
165.09023	3.9
165.12706	4.3
167.08455	2.7
169.10109	5.4
171.08044	4.2
171.10078	2.0
171.11623	5.7
173.09612	4.5
173.13211	3.2
175.11154	8.3
181.10112	2.4
183.08154	2.2
183.11584	2.9
185.09732	2.7
185.13232	3.6
187.11118	3.4
187.14735	2.3
189.09361	3.1
189.11142	14.0
189.12744	6.0
191.14372	1.9
193.10326	3.0
193.12219	25.8
195.11603	3.3
197.13266	3.7
199.11125	3.6
203.14256	2.6
205.12270	2.5
205.15746	2.9
211.11198	4.1
211.13222	4.3
213.12625	4.9
213.14502	2.0
215.14307	3.8
227.12659	14.9
231.13683	4.3
233.15396	13.9
237.12708	2.4
241.12201	2.8
241.14377	2.6
245.15306	3.5
249.14777	4.2
255.13815	2.6
257.15375	1.9
259.13248	2.6
267.15881	49.5
273.14822	8.9
275.16470	2.6
323.20020	2.5
339.23016	5.7
341.21167	9.1
349.21448	11.7
357.24161	8.6
367.22617	27.6
375.24988	2.5
385.23660	54.7
403.24710	24.1
415.24609	5.9
433.25757	22.8
434.26147	2.7
441.26367	6.2
459.27325	100.0
460.27475	5.3
468.39954	2.1
477.28470	54.9
478.28717	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	477.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.2
55.01863	11.3
55.05502	50.9
57.03432	14.0
59.04979	2.2
65.03918	2.8
67.05493	60.7
68.05807	1.4
69.03413	9.3
69.07059	15.9
69.46625	10.7
71.04990	5.9
73.32439	1.3
76.08817	1.3
77.03940	1.3
79.05479	67.5
80.05841	1.1
81.03403	71.2
81.07040	54.4
83.04964	19.1
83.08604	37.5
85.02888	11.6
85.06519	3.9
91.05467	62.9
93.07029	42.6
95.04951	39.8
95.08591	28.6
97.02877	3.0
97.06519	8.2
97.10154	41.7
98.21507	2.4
99.04417	1.4
103.05457	3.1
105.07016	42.2
107.04932	26.7
107.08581	26.2
109.02862	1.7
109.06492	11.7
109.10128	13.5
111.04442	3.1
111.08060	12.1
113.05991	3.1
115.05440	4.7
117.07005	13.5
119.04906	3.8
119.08568	30.4
121.02846	2.1
121.06490	25.5
121.10111	15.2
123.04391	2.6
123.08035	9.8
123.11667	6.0
125.05988	2.4
125.09607	28.4
128.06189	3.0
129.06979	18.8
131.04912	6.9
131.08546	22.0
133.06465	10.7
133.10104	19.6
135.08023	8.2
135.11674	4.4
137.05952	2.0
137.09586	4.5
139.07542	1.3
139.11096	1.2
141.06995	3.4
142.07756	3.7
143.08536	7.3
143.10666	2.8
145.06448	17.2
145.10109	11.4
147.04382	2.9
147.08000	12.3
147.11656	17.8
148.63324	1.3
149.05963	1.7
149.09570	10.5
149.13255	2.1
150.85800	1.2
151.07530	13.3
151.11183	1.4
153.09096	8.4
153.12724	1.9
155.08517	7.9
157.06454	5.7
157.10104	17.9
159.08046	5.5
159.11691	3.9
161.05972	2.4
161.09595	5.2
161.13303	1.8
163.07549	1.6
163.11148	6.3
165.09088	5.2
165.12791	3.4
167.08482	1.6
169.10086	6.5
171.08064	4.8
171.10252	1.5
171.11661	6.3
173.09650	4.7
173.13275	3.3
175.07480	2.1
175.11142	16.3
177.12772	2.4
179.10796	1.1
181.10150	4.4
183.08028	1.5
183.11720	4.4
185.09612	3.0
185.13240	3.5
187.11188	3.4
187.14830	3.3
188.11786	1.2
189.09294	2.4
189.11211	18.5
189.12778	4.6
191.10645	3.7
193.12219	44.0
194.12540	1.5
195.08136	1.6
195.11699	3.7
195.13643	1.3
197.13306	4.2
199.11172	3.1
201.12798	1.7
203.14336	2.0
204.00713	1.2
205.12270	4.0
205.15788	1.6
209.09663	1.9
209.13339	1.6
211.11261	2.3
211.13193	21.9
211.14926	1.8
213.12720	2.1
215.14348	5.6
217.12282	3.2
219.13716	1.6
223.11217	1.8
223.13193	2.9
225.12694	2.1
227.12662	13.6
229.15868	1.6
231.13788	3.4
233.15318	12.1
237.12724	3.0
241.14278	2.6
243.13774	3.3
245.15436	3.4
249.14812	5.5
255.13831	4.7
257.15424	2.9
259.13312	2.9
263.16406	2.4
267.15869	43.4
268.16046	1.7
269.15292	2.2
271.16992	3.4
273.14764	12.2
275.16446	2.1
287.16455	1.5
289.17960	1.4
291.15939	4.0
315.22986	1.3
321.22284	2.2
323.20053	1.9
331.20267	2.8
339.23105	8.7
341.21057	4.1
349.21564	13.5
357.24222	8.8
367.22623	41.7
368.22971	2.3
375.25159	2.5
385.23666	71.0
386.24185	3.0
403.24698	21.4
415.24689	4.0
423.25168	1.7
433.25836	12.4
441.26175	7.7
459.27325	100.0
460.27643	3.3
477.28421	93.1
478.28989	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	477.23
Annotation	Loperamide
Peak:m/z	Relative Intensity
53.03925	0.8
55.01862	3.4
55.05495	1.2
57.03413	1.2
61.02925	0.9
65.03896	0.4
66.34793	0.3
67.05493	3.6
69.03415	4.8
69.07047	1.0
71.04968	0.5
71.28899	0.7
71.29244	0.6
79.05496	1.7
81.03388	2.6
81.07044	4.4
83.04960	1.0
83.08630	0.3
85.02882	3.2
85.06528	0.9
91.05460	1.3
93.07027	3.6
95.04952	1.2
95.08588	3.4
97.02869	4.0
97.06521	0.7
99.04438	1.1
99.08067	0.4
105.07011	2.1
105.71041	0.4
107.04939	0.6
107.08570	2.5
109.02859	4.9
109.06524	1.2
109.10139	6.3
111.04430	0.5
111.08039	0.7
113.09637	1.0
115.03919	5.3
119.04916	0.5
119.08554	1.5
121.02839	0.7
121.06488	0.7
121.10132	3.0
123.04391	0.7
123.08049	0.4
123.11642	0.6
125.09608	1.5
127.03873	2.1
131.08549	1.3
133.03261	0.3
133.10104	1.5
135.08029	1.0
135.11644	0.8
137.02330	1.3
137.09590	11.8
143.08615	0.5
145.10120	0.8
147.04405	2.1
147.07954	0.4
147.11661	0.9
148.20329	0.3
149.09573	0.9
149.13237	0.6
151.11139	0.6
153.01790	1.2
153.12744	0.7
155.10628	0.8
157.10123	0.7
159.11703	0.4
161.09486	0.4
162.05504	0.5
163.11266	0.5
165.09082	11.3
167.10632	0.7
173.13197	0.5
175.06006	2.0
179.10730	0.7
183.10147	1.3
189.09084	0.4
193.96455	0.4
201.05434	0.7
201.11186	1.3
216.12222	0.5
229.04971	1.3
245.04860	0.5
257.04614	0.6
281.69031	0.4
291.12311	0.8
297.13306	0.5
303.04938	31.9
304.05185	1.8
305.08560	0.7
309.13272	4.9
311.14899	0.4
315.09152	1.2
325.71881	0.4
327.14362	2.1
452.23483	0.5
477.17432	3.9
477.23001	100.0
478.23602	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	477.102
Annotation	Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
53.03911	0.3
53.52793	0.4
55.01854	0.6
57.03427	0.7
59.65080	0.3
60.40891	0.3
61.88781	0.3
67.05475	0.4
69.03420	21.0
69.30870	1.7
69.31298	2.1
81.03388	0.7
85.02901	5.7
86.77917	0.3
93.03413	0.4
97.02877	17.4
98.21498	0.8
106.01328	0.4
109.02866	0.7
109.10162	0.4
111.00742	0.9
115.03909	11.4
121.02848	0.9
127.88058	0.4
129.39691	0.4
137.02339	3.8
137.03310	0.7
145.02739	0.4
153.01790	3.7
157.04915	1.5
163.03893	0.4
165.01802	2.2
167.92336	0.4
173.06007	0.5
175.06004	5.9
183.02859	0.9
183.04364	0.5
201.05414	1.3
229.04909	4.2
257.04431	2.8
274.04752	0.8
285.03882	1.6
303.04950	100.0
304.05280	2.6
315.04974	1.0
341.11478	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.21413	0.3
55.01854	0.3
57.03424	0.7
61.09193	0.3
63.02398	0.3
63.26027	0.3
67.05480	0.3
69.03423	2.0
69.61861	2.0
71.04987	0.3
72.08136	0.2
73.02877	0.3
75.66781	0.2
79.05475	1.1
81.03412	2.2
81.41189	0.3
85.02899	2.6
89.03912	4.2
95.04951	0.4
97.02892	1.4
98.21441	0.5
99.04432	0.5
103.03918	0.4
107.04926	1.8
109.02863	1.1
109.10072	0.3
117.03370	5.2
119.04924	0.4
121.02836	0.9
122.03172	0.4
123.04446	0.4
127.03890	0.8
129.10284	0.3
135.04399	13.7
135.06509	0.5
137.05966	0.4
145.02837	10.3
145.04932	0.8
145.87582	0.3
147.04378	1.0
153.07600	0.6
159.03764	0.3
163.03888	100.0
164.04205	1.7
181.04926	3.0
263.05759	0.3
307.08139	2.7
325.09174	4.1
326.14670	0.3
477.19193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	15.6
57.07055	3.8
57.27434	1.7
61.02924	2.7
67.05498	22.9
69.03423	2.0
69.07058	18.5
71.32857	4.1
72.26841	1.7
79.02843	1.5
79.05476	21.2
81.03403	3.9
81.06570	3.8
81.07037	66.0
83.08602	7.8
85.02869	3.0
91.03931	2.1
91.05460	24.0
93.07023	67.6
94.07410	2.0
95.04938	6.6
95.08587	67.0
97.02895	1.9
97.10143	3.2
105.07009	68.5
107.08572	63.4
109.06499	2.6
109.10135	30.0
117.07000	11.1
119.08549	44.0
119.09348	3.6
121.06493	2.8
121.10118	39.8
121.11011	2.4
123.08106	2.0
123.11671	10.1
128.06180	2.7
129.06990	13.8
131.08542	31.3
132.09351	2.2
132.95837	2.0
133.10106	45.3
135.11658	24.5
137.13240	10.1
142.07736	7.9
143.08533	23.8
144.09244	2.5
145.10101	35.5
147.11656	47.5
149.09566	5.1
149.13225	48.5
151.14803	4.4
155.08513	8.1
156.09332	4.2
157.10091	33.6
159.11659	40.0
159.12967	1.8
161.09639	3.4
161.13232	39.3
163.11154	5.8
163.14798	11.3
169.10103	8.2
171.11623	25.7
173.13214	22.6
175.11198	5.2
175.14809	31.4
177.09148	3.0
177.16338	8.1
179.10555	2.2
181.10121	2.3
183.11716	8.4
185.13193	21.7
186.96898	4.2
187.11189	3.4
187.14780	15.0
189.12808	2.9
189.16327	14.6
191.10623	6.1
191.14336	2.0
191.17892	4.9
193.12177	5.5
195.10046	2.7
197.13264	4.9
198.96773	2.1
199.11050	1.9
199.14758	10.9
201.16386	5.8
203.10660	7.5
203.14330	4.9
203.17903	7.2
205.12180	7.6
207.13853	4.5
209.11673	10.1
209.13428	3.1
211.14818	7.5
213.16290	4.0
215.10747	3.2
215.14186	2.3
215.17882	2.7
216.97975	2.2
217.12158	10.9
217.15643	2.3
219.13754	4.1
223.14836	3.3
225.16335	6.3
227.14308	2.0
227.17961	5.5
229.12283	2.6
231.13750	22.8
233.15324	4.5
235.13193	2.1
239.17952	3.0
243.13698	5.7
245.15347	6.5
249.14874	4.6
253.19434	3.4
257.15320	2.6
263.16223	2.4
265.05240	2.8
267.15921	2.2
271.16925	4.7
279.20993	6.1
281.22491	6.3
283.06158	4.2
297.21945	2.6
307.24069	3.6
313.27237	4.5
325.21585	16.4
335.27142	21.0
337.28699	2.9
343.22629	22.3
353.28287	24.1
363.26779	5.5
379.03180	2.2
381.27780	100.0
382.28354	3.1
399.28854	66.9
476.33508	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	477.1024
Annotation	Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
53.03913	0.2
55.01867	8.5
55.05476	0.3
56.72335	0.3
57.03430	2.6
59.44730	0.2
61.02921	1.6
65.03923	0.3
67.05489	0.3
68.99793	0.6
69.03420	8.2
69.29426	2.1
69.29836	0.8
70.03737	0.3
71.01322	1.0
71.04948	0.4
73.02905	0.4
79.05466	0.3
81.03391	0.3
81.07024	0.5
83.04948	0.6
85.02414	0.4
85.02902	5.5
87.04449	1.7
91.05482	0.3
93.03406	0.3
93.07010	0.5
95.04955	0.6
95.08597	0.4
97.02882	7.7
105.07014	0.5
107.04931	0.4
107.08572	0.3
109.02865	1.0
111.00756	1.1
111.04407	0.3
115.03915	18.8
116.04208	0.3
119.08569	0.3
121.02865	1.0
121.10157	0.4
123.08039	0.3
127.03899	1.2
129.05482	0.6
130.05864	0.3
132.10175	0.6
133.04951	1.2
133.06474	0.5
137.02327	3.2
137.05942	0.4
137.09564	0.4
141.12256	0.3
147.04399	0.3
153.00676	0.4
153.01811	3.7
157.05022	0.3
159.04312	0.3
163.03914	0.6
165.01828	2.2
165.09087	0.7
166.09421	0.5
173.05959	0.3
175.06010	5.9
177.05417	0.4
183.02843	0.6
195.02992	0.3
201.05437	1.6
203.73204	0.2
219.06401	0.4
229.04919	4.2
247.06111	0.5
257.04449	2.6
274.04684	0.7
285.03894	1.2
287.05508	0.8
288.05740	1.1
289.06036	0.9
303.04959	100.0
304.05298	2.9
306.94168	0.3
399.09912	0.4
435.36594	0.3
443.86273	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.05503	7.7
57.03419	3.4
60.03611	1.1
60.34314	1.0
60.39329	1.0
62.06080	35.9
65.03907	1.2
67.05163	1.6
67.05496	24.3
69.07072	9.4
71.32964	2.2
72.80628	0.8
79.05485	16.0
80.17818	1.0
81.07047	22.8
83.04953	1.5
83.08607	4.1
91.05480	8.2
92.62454	1.1
93.07033	19.4
95.04924	2.5
95.08598	15.8
97.06513	1.4
97.10122	1.4
98.06020	3.3
98.98452	9.2
105.07047	5.0
107.07901	1.3
107.08566	10.4
109.10132	6.0
117.07030	1.3
119.08576	6.1
121.10107	6.1
123.08043	1.5
123.11713	1.3
124.01536	1.5
131.08525	2.3
133.10101	4.5
135.11635	4.8
142.02650	1.4
145.10078	2.7
147.11668	2.8
149.13289	1.3
155.01018	2.7
159.11658	2.0
161.13232	2.0
173.02136	2.0
173.13245	2.0
198.05203	2.2
216.06345	3.4
243.21165	2.4
261.22000	6.4
290.56573	1.1
304.26297	20.5
335.25754	100.0
336.26016	1.6
415.22598	2.6
440.89697	1.2
458.26633	10.8
476.27359	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	476.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52891	0.3
51.02380	0.3
53.03941	0.7
55.05255	0.5
55.05504	6.7
57.03428	6.1
57.07063	0.5
58.79176	0.3
62.06068	0.6
65.03917	1.1
67.05495	26.6
68.05817	0.3
69.06716	0.5
69.07059	6.5
69.65656	0.9
69.66080	1.3
69.69620	0.3
71.04982	0.8
79.05482	13.9
80.05807	0.4
81.03413	0.5
81.07046	21.1
82.07377	0.6
83.04974	0.9
83.08599	2.6
85.06508	0.6
91.05468	6.3
93.07033	14.8
94.07350	0.6
95.04980	1.4
95.08593	17.7
97.06517	1.0
97.10150	0.9
98.06051	0.7
98.94431	0.3
98.98442	0.5
105.07020	3.9
107.08575	6.7
109.06497	0.7
109.10140	5.8
111.08081	0.4
117.07014	1.3
119.08576	3.1
121.09290	0.5
121.10123	5.0
123.08101	0.4
123.11691	1.5
125.09641	0.3
131.08556	2.1
133.10120	2.0
135.11667	2.5
137.13255	0.4
139.11127	0.4
145.10091	1.2
147.11696	1.5
149.13214	1.3
159.11687	1.0
161.13263	0.8
173.13206	0.5
177.12744	0.4
198.05289	0.4
216.06218	0.6
261.22113	0.9
304.26315	6.3
335.25745	100.0
336.26083	2.0
476.31409	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49420	3.4
53.03942	3.7
55.01866	6.1
55.05491	19.9
57.03428	4.9
57.07075	5.1
62.06086	5.0
67.05491	45.5
69.07059	19.4
71.04984	6.1
79.05482	49.3
80.05805	4.5
81.03410	8.8
81.07040	73.2
82.07374	5.7
83.04961	9.2
83.08605	11.5
85.06519	4.7
86.81664	3.2
91.05452	45.2
92.05788	3.8
93.07028	70.3
94.07393	6.7
95.04945	23.8
95.08590	53.4
96.08904	5.3
97.06509	13.2
97.10182	5.4
98.19382	3.9
99.04474	4.3
103.05494	4.5
105.07012	96.2
106.07349	4.7
107.04990	8.0
107.08577	47.4
108.08909	5.7
109.06510	11.8
109.10128	27.5
111.08082	3.5
117.07001	18.2
119.08566	70.9
121.06490	11.8
121.10129	32.5
123.08031	5.6
123.11702	8.0
128.06244	8.4
129.07019	26.4
131.08551	62.4
133.10114	47.8
134.10432	6.8
135.08037	10.3
135.11630	17.9
136.12137	4.8
137.09631	7.3
141.06973	7.9
142.07738	12.9
143.08530	33.0
144.09302	5.3
145.06477	4.8
145.10098	62.0
147.08012	8.2
147.11673	35.6
148.12033	5.7
148.65111	3.2
149.09575	19.3
149.13246	12.7
150.13541	3.9
151.11162	4.0
153.06973	3.8
155.08539	19.2
156.09354	6.4
157.10114	53.8
159.11667	55.0
161.09601	21.1
161.13185	19.2
163.11127	20.2
163.14909	3.3
165.12732	3.8
167.08522	4.0
169.10179	17.5
170.10896	3.7
171.11671	32.6
172.12138	4.1
173.09659	5.6
173.13255	29.1
175.11177	33.1
175.14786	8.8
177.12721	8.8
179.08409	5.1
181.10114	9.5
182.10826	5.3
183.11688	19.8
185.09586	8.6
185.13185	21.8
187.11154	11.3
187.14772	9.0
189.12726	14.4
191.14314	5.6
193.10127	6.1
195.11661	19.5
197.13269	13.3
199.11237	5.9
199.14847	13.9
201.12733	6.0
203.10728	7.6
203.14349	7.5
205.12042	4.4
207.11656	13.6
207.13623	6.0
209.13268	12.2
211.14783	11.3
213.12747	5.7
215.14296	4.3
217.12189	7.6
219.11728	4.7
219.13951	4.6
221.13255	9.7
223.14813	9.8
225.12794	4.5
227.12656	7.6
229.50060	4.1
231.13805	10.0
233.13255	5.0
235.14874	7.0
245.15501	6.1
247.14891	5.8
253.15701	4.2
255.13655	4.1
261.16263	8.7
263.18054	7.4
265.15952	3.9
267.13788	4.2
277.19641	5.4
279.17419	5.1
289.19257	8.3
293.18863	4.1
317.22690	21.3
319.24072	6.7
335.23639	90.3
337.25229	11.6
345.21878	7.4
353.24734	71.3
363.23135	81.5
381.24158	100.0
385.23376	4.1
399.25238	17.3
422.35095	3.8
456.69177	3.4
459.27258	8.6
476.30359	47.1
477.28180	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	476.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01861	0.4
55.05504	2.9
57.03419	0.8
57.07066	0.8
59.04993	0.9
66.77438	0.3
67.05496	4.8
69.03425	2.6
69.07063	2.0
70.03776	0.5
70.91329	0.6
70.91663	0.6
71.04987	1.4
73.02908	0.7
78.01191	0.4
79.05479	2.9
81.03406	1.2
81.04951	0.3
81.07053	4.3
83.04962	1.1
83.08599	0.6
85.02895	1.8
85.06532	7.6
90.93642	0.3
91.05457	1.9
93.07030	6.6
95.04943	1.1
95.08590	4.2
97.02892	0.9
97.06541	0.8
97.10154	1.0
99.04482	0.6
99.08080	73.5
100.08422	0.7
105.01855	0.8
105.03374	0.4
105.07029	3.7
107.04932	0.4
107.08579	6.2
109.02850	0.4
109.06499	1.7
109.10142	11.3
110.10515	0.4
111.04407	0.9
111.08090	0.6
112.04836	0.4
117.07069	0.5
119.04949	0.3
119.08570	3.6
121.06470	0.4
121.10132	2.2
123.04383	0.3
123.08030	1.1
123.11699	1.5
125.09608	0.4
126.05487	0.3
127.03862	1.0
129.05464	1.0
130.56784	0.4
131.08543	1.0
133.10112	13.8
134.10422	0.4
135.11679	8.7
137.09619	4.5
145.04913	0.5
145.06383	0.4
145.10141	0.7
147.11685	3.5
151.11148	2.3
157.70328	0.3
159.11678	0.4
161.09525	0.5
165.09137	0.4
165.16420	0.4
166.09476	0.4
175.11143	0.9
175.14812	5.0
189.07602	0.4
189.12708	0.3
193.05028	0.6
193.15854	100.0
194.16151	2.1
231.14035	0.3
279.19507	0.4
287.05386	1.3
288.05753	2.6
344.09125	0.3
367.22595	0.8
385.23618	0.9
412.76898	0.3
450.61801	0.3
458.25742	0.7
459.27356	1.5
476.26978	1.2
477.28201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
55.01863	9.9
55.05486	1.2
57.03147	0.3
57.03428	6.3
58.56516	0.3
59.04979	1.2
60.04500	1.0
61.02913	2.0
67.05482	0.7
67.86633	0.3
68.99785	0.7
69.03418	34.8
69.50282	0.6
69.50688	2.0
70.03757	3.2
71.01321	1.6
71.04995	1.7
72.04488	1.3
72.08133	1.4
73.02905	2.3
73.06532	0.8
75.04456	0.6
81.03406	0.9
81.07023	0.7
82.09370	0.4
82.57108	0.4
83.04967	4.3
84.05297	0.9
85.02892	15.9
85.06521	0.4
87.04454	11.1
90.09190	1.7
91.05453	0.5
93.03371	0.3
93.07018	1.0
95.04958	1.0
95.08575	0.8
97.02879	18.7
99.04425	0.5
103.03888	0.4
105.03375	0.4
105.06395	0.4
105.07005	2.6
107.04935	0.6
109.02853	1.5
109.06487	0.6
109.10137	0.9
111.00737	0.7
111.04420	3.2
112.04742	0.9
114.09153	6.3
115.03910	32.9
119.08553	0.9
121.02855	3.3
121.06454	0.4
122.03212	1.0
123.04364	0.4
127.03905	3.1
129.05463	7.1
130.05806	1.9
132.10175	13.9
133.04945	18.2
133.06438	3.9
135.04341	0.4
135.08038	0.4
137.02324	3.7
137.03313	0.5
137.05954	4.3
137.09587	1.5
144.06516	0.5
145.04915	2.0
145.06410	0.4
145.10071	0.5
147.04425	0.6
149.02333	0.8
150.07622	2.0
153.01805	4.3
157.05026	0.4
163.03889	0.7
163.06125	0.4
165.01801	2.3
165.09085	11.7
173.05968	0.4
175.06018	7.3
175.07512	1.0
177.09109	0.9
180.08658	0.5
180.10446	0.3
183.02872	1.0
189.07536	1.8
189.09023	0.7
190.07875	1.2
201.05426	1.9
207.10164	1.1
223.05956	0.6
229.04913	4.2
231.10071	0.5
241.07112	0.7
247.05992	0.6
257.04410	2.3
258.04984	0.5
259.05652	0.6
259.08118	0.7
261.11432	0.5
274.04706	0.6
275.05484	0.4
277.08896	0.5
279.12183	0.3
284.06036	0.4
285.03928	1.4
286.04813	0.5
287.02188	0.4
287.05435	13.5
288.05786	24.3
289.06116	0.9
299.05426	2.5
300.05890	4.7
301.06473	0.8
303.04938	100.0
311.05502	0.8
312.05716	0.9
315.05054	0.3
328.08917	0.4
329.06476	2.2
330.06818	5.1
337.06870	0.4
338.07291	0.7
352.08862	0.9
354.06946	0.9
360.01123	0.4
379.08072	0.4
380.08368	2.9
397.09033	0.9
398.09457	7.0
399.10172	0.5
424.80460	0.3
458.11716	2.1
458.17191	0.4
476.12671	6.1
477.12897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
56.96559	0.4
57.03429	0.6
61.02917	0.5
69.03419	1.3
70.06586	0.6
71.61668	0.5
79.05480	0.9
81.03401	0.6
83.04972	0.3
83.06083	0.5
84.08125	0.9
85.02890	3.5
87.04477	0.4
88.28432	0.3
91.05453	0.9
93.07017	1.5
95.04942	0.6
95.08583	0.6
97.02853	1.7
98.97531	0.3
103.05457	5.8
103.07506	0.3
107.04942	1.8
119.04962	0.4
120.08084	100.0
121.02847	0.7
121.06493	5.0
121.08421	0.5
121.84733	0.3
127.03884	0.9
129.10257	0.6
131.04919	2.6
131.06996	0.5
135.04384	0.3
136.06154	0.8
136.07538	0.3
137.05965	0.4
138.09111	1.7
145.04926	1.0
147.04385	1.8
149.05977	2.1
157.03452	0.4
161.02930	0.5
161.05919	0.6
163.03860	2.1
165.05501	0.7
166.08612	57.5
167.08992	0.5
181.04984	0.3
207.83604	0.4
214.63419	0.4
216.11295	2.8
217.86211	0.3
237.02705	0.4
253.58952	0.3
279.08118	0.4
363.12534	0.3
363.16470	1.6
371.31155	0.3
476.17426	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	476.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01864	2.1
57.03430	20.4
59.04985	4.3
59.75740	0.5
60.04531	3.1
61.02924	2.2
67.05496	0.7
69.03419	73.4
69.07068	0.9
70.03740	0.5
71.01351	1.0
71.04965	0.9
71.62666	1.0
73.02925	3.6
75.04464	3.0
75.87180	0.5
79.05485	1.5
80.05045	0.6
81.03428	2.9
81.07049	1.5
83.04952	0.9
84.04488	0.7
85.02892	55.9
85.06540	0.6
87.04454	50.6
91.03950	1.4
91.05466	1.4
93.07032	1.5
94.06595	0.5
94.07369	0.5
95.04957	1.3
95.08581	0.7
97.02876	60.4
98.06039	0.9
99.04412	2.5
101.02363	0.7
103.03925	0.8
103.05457	0.9
105.07016	9.4
106.07355	0.6
107.04998	0.6
107.08583	1.5
109.02864	3.2
109.06508	0.5
109.10108	0.8
111.04444	1.5
115.03912	89.5
116.30497	0.5
119.08575	1.4
121.02829	0.9
123.04449	0.5
124.05186	10.7
125.09618	1.2
127.03898	7.2
129.06984	0.7
133.04944	100.0
133.06374	6.1
133.10103	2.0
134.05305	0.7
137.05951	13.7
137.09605	0.6
139.03935	0.6
142.08734	0.7
144.06532	1.6
145.04948	11.6
145.10025	0.5
148.05180	0.5
150.07608	12.3
151.03938	0.6
151.05980	0.5
154.08592	0.6
157.06416	2.1
161.09555	1.7
162.07555	1.8
163.03888	0.8
163.06021	1.8
163.11133	0.5
165.09088	36.0
166.09502	0.7
169.04964	2.1
171.08054	0.6
175.05916	0.9
175.07364	0.6
175.14807	0.8
177.05463	1.0
177.09108	1.5
180.08670	1.9
187.05928	0.9
189.09062	3.4
191.14288	0.7
198.11295	0.6
199.07506	1.0
201.09058	3.2
205.06964	0.7
207.10106	2.6
223.05968	1.7
229.07030	0.7
231.10136	2.3
241.07085	2.6
243.10124	2.4
259.08115	3.3
261.11166	1.8
277.09189	2.4
279.16058	0.6
287.05420	1.2
288.05728	1.5
295.10083	1.4
303.04950	2.5
315.04852	0.7
332.19324	0.6
356.33868	0.5
398.09268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56895	2.1
53.03925	4.3
55.01852	4.1
55.05502	35.9
55.48511	2.7
57.03426	3.8
57.07063	12.8
59.04997	2.6
61.02937	2.8
62.06066	4.4
62.15077	2.4
63.64946	2.0
65.92268	2.0
67.05160	4.0
67.05494	49.4
69.03404	3.5
69.07058	45.0
71.01350	4.7
71.04989	4.1
71.08614	7.1
71.62213	4.1
79.05476	41.0
80.83153	2.2
81.03409	5.3
81.07043	89.8
83.04959	6.1
83.08601	36.3
85.06514	4.8
85.10145	2.3
88.57681	2.3
91.05465	31.2
93.06470	3.0
93.07030	57.8
95.04951	8.2
95.08594	100.0
97.06524	4.9
97.10163	18.7
98.98489	3.0
99.08071	3.8
103.03957	5.7
105.07012	58.2
107.08578	64.7
109.06483	5.5
109.10141	66.5
111.08079	5.3
111.11725	3.3
113.09630	17.3
117.06997	9.0
119.08564	50.2
121.06470	4.8
121.09288	4.7
121.10115	45.3
123.08035	4.1
123.11692	28.2
125.09609	3.2
125.13261	2.5
127.11162	17.8
129.05466	3.0
129.06975	6.2
131.08545	36.9
133.06468	3.9
133.10104	54.4
134.03003	2.3
135.08058	6.5
135.11665	23.8
137.13257	13.2
143.08543	15.1
145.06493	2.1
145.10101	45.3
147.08011	3.8
147.11656	39.8
149.09572	8.2
149.13245	23.1
150.09973	2.3
151.11191	3.2
151.14748	5.3
153.07002	2.6
153.09053	3.6
153.12669	3.3
155.08463	5.4
155.14311	6.5
157.10094	16.8
159.11668	32.0
161.09616	5.2
161.13235	15.9
163.11134	5.6
163.14806	12.3
165.09082	3.7
167.10730	2.5
169.08562	4.5
169.09964	5.0
171.11653	16.7
173.09616	4.6
173.13240	18.1
175.11174	7.1
175.14783	8.6
177.12778	3.5
177.16299	4.7
179.10590	3.8
183.11644	7.1
185.13197	9.6
187.11108	3.5
187.14748	10.9
189.08995	3.2
189.12701	3.3
189.16348	11.4
191.10631	3.7
191.14325	2.5
193.12129	6.5
195.11766	3.6
197.13164	3.7
199.11177	4.2
199.14783	9.1
201.16351	13.8
203.14288	3.0
203.17975	11.9
205.12178	10.1
205.19516	2.5
207.12036	2.4
207.13797	10.5
211.14832	3.2
213.12691	3.4
213.16286	6.1
215.17885	5.2
217.19492	5.7
219.13789	4.7
219.20952	3.9
221.15395	2.7
225.16461	4.2
227.14427	3.2
227.17891	11.1
231.20979	3.8
241.15858	2.9
241.19583	3.0
245.15434	3.1
247.17088	2.7
249.22311	2.9
251.17973	4.2
259.16861	5.2
263.23630	3.2
269.18799	4.0
271.05878	2.9
277.25153	3.0
287.05542	2.8
287.20071	4.5
301.21640	15.9
303.26877	2.2
304.26379	5.7
313.21390	2.5
319.22589	5.6
324.19748	2.6
335.25726	18.1
339.30481	3.7
341.32040	6.1
357.31467	10.3
359.33066	23.9
373.34775	4.5
383.33160	6.0
401.34070	4.1
407.32993	8.1
425.34262	14.8
429.36160	9.0
439.36255	10.6
443.35019	7.8
457.36942	42.1
475.31839	6.0
475.38101	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	476.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53084	0.6
55.01851	1.6
57.03426	22.8
57.43022	0.7
59.04994	4.2
60.04507	2.9
61.02903	2.3
67.05501	0.7
67.14273	0.6
69.03419	72.9
69.60646	3.9
69.61057	1.6
71.01348	1.1
73.02908	4.9
75.04462	2.6
77.97200	0.6
79.05464	1.1
81.03389	3.4
81.19608	0.7
82.20480	0.6
82.61135	0.6
83.04943	1.0
85.02891	56.0
87.04455	51.4
87.04858	0.9
89.09991	0.6
91.05454	0.8
93.07071	0.8
95.04945	0.9
97.02874	57.4
98.06049	0.8
99.04449	3.2
103.03917	0.8
105.07021	7.3
107.08556	1.3
109.02849	3.4
109.06483	0.9
111.04416	1.4
115.03910	89.5
117.06929	0.7
119.08601	1.3
121.06491	0.8
121.10167	0.7
123.04396	1.0
124.05184	10.1
126.05471	1.1
126.09904	0.6
127.03895	8.3
129.06970	1.5
131.04886	0.8
133.04945	100.0
133.06361	5.5
133.10107	1.7
135.11749	0.8
137.04984	1.1
137.05965	15.6
139.03897	0.9
144.06558	1.4
145.04942	9.2
145.06255	0.9
145.06454	0.9
150.07596	11.4
151.03888	0.8
151.06020	1.0
157.06400	1.0
161.04456	0.8
162.07620	1.7
163.06017	2.6
163.07423	0.6
165.09087	39.0
169.04970	1.9
174.06677	1.3
175.06041	1.0
175.07458	0.8
175.14748	1.5
177.09094	1.4
180.08601	1.8
187.05995	1.1
189.09074	4.6
198.11273	0.7
201.09087	3.6
205.07039	0.8
207.10126	2.4
223.05952	1.2
231.10146	1.8
241.07027	2.4
243.10187	2.8
246.56955	0.7
259.08041	3.9
261.11237	1.9
277.09174	2.3
287.05350	0.8
288.05807	1.4
295.10345	1.0
303.04880	2.2
312.13022	1.3
360.52396	0.8
418.46661	0.7
432.15424	0.9
439.94214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3412
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
52.60158	2.5
53.03925	7.5
55.01851	5.8
55.05499	30.0
55.58780	2.1
57.03438	4.4
60.06632	2.3
65.03942	3.6
67.05486	75.9
69.03407	5.2
69.07047	30.3
69.54094	22.1
71.04976	7.0
79.05473	70.9
81.03407	18.0
81.07033	87.4
83.04956	13.2
83.08607	21.0
85.06540	4.6
91.05462	56.1
93.07021	100.0
95.04945	26.4
95.08580	72.6
95.09148	4.7
97.06505	16.0
97.10146	9.8
99.08076	4.8
105.04472	4.3
105.07004	62.3
107.04951	7.6
107.08570	61.8
109.06494	13.7
109.10131	28.8
111.08080	9.0
117.07001	12.8
119.08554	58.8
120.08910	3.4
121.06455	9.1
121.10114	39.8
121.10919	3.9
123.08034	10.0
123.11670	14.7
125.09605	3.2
128.06239	3.5
129.06973	19.4
131.08516	23.2
133.06483	4.0
133.10103	39.3
135.08015	6.2
135.11665	32.8
137.09668	5.8
139.11151	4.0
142.07779	6.6
143.08514	16.0
145.06511	2.5
145.10072	38.6
147.08020	6.5
147.11641	35.2
149.09573	4.0
149.13242	26.8
151.07549	3.0
151.11145	3.7
153.09001	3.2
153.12698	4.8
155.08543	3.4
156.09261	4.1
157.10066	17.3
159.08086	3.2
159.11636	31.7
161.09576	7.6
161.13220	18.5
163.11156	10.7
163.14832	12.9
165.09195	3.0
165.12816	2.7
169.10193	3.7
170.10785	3.8
171.11655	31.9
173.09702	2.6
173.13240	18.8
175.14796	30.4
177.12720	7.3
177.16344	14.7
183.11647	6.0
185.13197	25.3
186.14011	3.4
186.15665	3.0
187.11276	2.9
187.14784	24.6
189.12694	11.5
189.16345	19.6
191.14281	10.7
191.17906	10.6
193.12254	3.2
193.15833	44.3
195.13803	6.7
197.13266	5.3
199.14795	7.7
201.16263	19.0
203.14348	4.3
203.17938	16.5
205.15704	4.4
207.13747	25.4
207.17447	5.9
213.16441	4.3
215.14258	4.3
215.17815	4.1
217.15764	3.6
217.19383	5.5
219.17369	11.9
227.12639	6.0
227.17960	3.6
235.17064	3.9
237.18425	8.9
239.16212	11.6
247.13237	4.5
247.16890	2.6
297.22119	4.2
338.95834	2.5
375.30371	5.0
380.01810	2.4
393.31461	14.0
393.94241	2.5
404.00800	2.6
409.42691	2.5
411.32382	12.4
421.30875	34.8
429.33603	27.3
439.31885	9.9
445.36514	3.9
457.33505	13.9
475.29785	41.8
475.34381	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	475.3771
Annotation	CHEBI:67963
Peak:m/z	Relative Intensity
50.02423	2.2
50.52592	2.3
52.61749	2.1
55.05507	18.1
56.82763	2.6
57.07066	29.4
62.62708	3.0
67.05489	15.1
69.03413	6.4
69.07050	43.3
71.06158	5.0
71.06522	2.6
71.08617	32.4
79.05459	15.6
81.03390	4.4
81.07047	46.3
83.04967	5.4
83.08613	17.2
85.10166	15.6
91.05459	15.7
93.07028	23.3
95.04980	3.2
95.08586	35.1
97.10157	16.0
105.07013	31.8
107.04942	36.7
107.08567	25.1
109.02847	6.8
109.06512	12.4
109.10124	25.7
111.04459	3.7
111.11692	11.0
111.12441	2.1
114.66985	2.7
117.06969	9.0
119.08557	26.5
121.06481	11.2
121.10135	18.7
121.21416	2.2
123.08028	6.0
123.11665	8.0
125.06005	2.9
125.13262	3.0
128.06197	2.6
129.06973	8.0
131.08516	15.8
133.06480	7.6
133.10124	24.8
135.08005	8.0
135.11659	14.2
137.06009	3.8
137.09509	2.6
137.13254	5.5
143.07014	4.4
143.08505	22.0
145.06432	4.3
145.10091	24.2
147.08014	14.5
147.11690	15.2
149.09560	3.8
149.13217	7.5
151.07498	6.1
155.08464	5.3
157.10100	11.0
159.08098	5.7
159.11671	17.7
161.09610	12.5
161.13266	11.7
163.14812	4.5
169.08656	3.0
169.09969	5.3
171.08008	9.8
171.11607	14.6
173.13213	8.8
175.11188	3.9
175.14726	4.9
177.16345	2.9
181.10184	3.4
183.10112	18.1
183.11690	9.9
185.09581	2.6
185.13226	13.5
187.11137	4.0
187.14793	5.4
189.09096	13.4
189.16295	4.3
195.11684	3.4
197.09555	2.5
197.13281	9.7
199.14793	9.4
201.16408	6.7
203.10640	10.9
211.14771	3.2
215.14134	3.2
217.12161	7.0
221.11603	5.0
225.16402	4.0
225.98544	2.5
227.17862	3.5
229.12064	2.6
231.13788	3.4
239.17908	4.9
241.19481	2.9
243.13730	5.5
245.15314	3.6
259.16852	3.3
267.17447	3.1
267.21298	3.1
271.16965	4.2
272.20148	2.5
275.27234	3.6
281.22491	2.6
285.18491	12.0
299.19998	4.1
299.27362	2.7
301.28854	10.2
313.21634	4.0
325.28961	4.6
327.22983	4.0
339.30347	4.0
343.30142	11.5
355.25964	2.8
365.31668	3.3
379.33844	4.5
383.33185	6.0
397.34567	6.0
399.32434	7.9
401.34152	2.9
407.33109	17.5
415.35660	10.9
417.33524	68.9
418.34222	3.3
425.34082	79.9
426.34421	4.1
429.37222	3.2
439.35568	25.6
443.35034	9.9
457.36676	100.0
458.37018	5.1
463.89392	2.5
475.21225	8.9
475.24234	8.4
475.30579	2.6
475.38110	11.6
476.21738	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	475.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52875	0.7
51.02373	0.8
53.03932	4.6
55.01845	3.1
55.05266	1.1
55.05503	17.3
57.03431	5.4
57.07053	2.8
59.41628	0.8
65.03921	3.8
67.05492	65.1
69.03410	2.3
69.07055	20.7
69.30692	0.7
69.62907	5.7
71.04967	3.3
73.06528	1.3
77.03903	1.2
79.05478	62.9
81.03399	7.9
81.07042	69.7
82.07356	0.9
83.04977	10.8
83.08599	11.0
85.06511	4.1
91.05463	48.5
92.05763	1.0
93.07027	71.3
95.04951	18.7
95.08587	29.0
97.02863	0.9
97.06510	9.2
97.10137	2.4
99.08075	1.6
103.05390	1.2
105.04501	2.3
105.07010	31.8
107.04950	5.1
107.08577	30.3
108.47443	0.7
109.06509	6.3
109.10133	6.7
111.08058	6.4
111.11642	0.9
111.51279	0.7
113.05999	0.9
113.09589	1.1
115.05390	1.1
117.07000	10.5
119.08562	21.5
120.08929	0.9
121.06473	3.9
121.10119	15.8
123.08045	4.8
123.11682	2.0
125.09615	1.6
127.07472	1.2
128.06158	2.4
129.06975	10.7
131.08517	8.0
133.06432	1.3
133.10103	13.1
135.08005	2.0
135.11664	6.9
137.09576	1.2
137.13284	0.9
139.07553	1.1
139.11110	0.8
143.08537	6.6
145.06479	0.8
145.10100	7.1
147.08023	1.8
147.11661	25.4
149.09619	1.0
149.13231	19.1
151.11067	0.9
157.10074	1.2
159.11644	9.8
161.09579	2.3
161.13242	8.8
163.11183	1.1
171.11649	19.4
177.12668	4.6
179.14285	1.6
189.12724	9.4
189.16324	1.2
195.13765	6.2
207.13754	27.8
225.14792	5.9
263.16528	0.9
365.24765	1.3
373.27261	1.3
399.65952	0.8
429.33572	3.6
457.28568	1.1
457.33810	1.2
475.30426	100.0
476.30597	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	475.3045
Annotation	CHEBI:68045
Peak:m/z	Relative Intensity
51.02370	1.0
53.03936	5.4
55.01854	4.5
55.05253	1.6
55.05497	20.4
56.88063	0.9
57.03424	5.8
57.07055	2.8
65.03924	3.9
67.05491	72.5
68.05822	1.1
69.03400	1.8
69.07053	22.9
71.04228	2.2
71.04977	6.3
73.06554	1.5
77.03907	1.5
79.05476	71.6
81.03405	9.7
81.07037	85.9
82.07381	1.0
83.04961	12.8
83.08598	15.9
85.02870	1.1
85.06514	4.8
91.05461	57.0
93.07024	77.6
94.07378	1.2
95.04943	21.7
95.08582	29.6
96.08817	0.9
97.02859	1.3
97.06507	12.2
97.10138	3.1
98.97440	1.0
99.08065	3.0
103.05472	1.9
105.04499	2.0
105.07010	39.6
107.04920	7.2
107.08570	36.7
109.06490	7.9
109.10119	7.9
111.08058	6.3
113.09667	1.5
117.06992	12.6
119.08553	21.6
121.06508	3.4
121.10114	17.7
123.08039	6.0
123.11710	2.8
125.09619	1.2
127.07611	1.3
128.06223	1.8
129.06978	11.5
131.08556	9.3
133.10101	14.8
135.08051	2.1
135.11679	9.4
137.13249	1.1
139.07527	1.1
139.11166	2.3
141.07050	1.3
142.07739	1.1
143.08525	8.7
145.06433	1.1
145.10098	10.5
147.08069	2.6
147.10475	1.7
147.11656	27.3
149.09570	2.0
149.13235	22.5
149.14351	1.5
151.11119	1.0
153.08955	1.0
156.09338	1.1
157.10075	2.7
159.11638	10.9
160.11966	1.0
161.09608	4.3
161.13229	9.9
163.11119	2.5
165.09056	1.7
167.14415	1.2
169.10167	1.3
171.11646	21.7
173.13266	1.1
175.11137	2.2
175.14738	0.9
177.12753	3.9
179.14304	1.0
185.13127	1.2
187.14912	2.0
189.12709	10.5
189.16432	1.0
191.14264	1.0
193.12183	1.1
195.12061	1.4
195.13737	7.2
203.17883	1.0
207.13762	30.7
208.13960	1.0
213.12845	1.5
225.14912	4.1
227.12656	1.2
251.16484	1.3
269.17438	1.4
281.17593	1.3
287.05566	1.5
307.02585	1.2
383.22037	1.4
429.29785	1.0
439.31888	1.5
457.25659	1.5
457.33334	1.5
475.30542	100.0
476.30969	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	475.3048
Annotation	candelalide B
Peak:m/z	Relative Intensity
50.01595	1.2
51.02370	1.7
53.03942	6.0
53.54468	0.9
55.01862	4.8
55.05504	25.0
55.95208	0.9
57.03427	4.6
57.07057	1.9
63.25221	0.8
65.03928	5.7
67.05494	81.3
68.05846	1.1
69.03410	1.4
69.07058	23.9
69.45461	1.7
69.45846	7.4
71.04979	4.7
73.06535	2.0
75.64156	1.0
79.05480	85.5
80.05835	1.2
81.03405	13.2
81.07045	84.9
83.04965	16.5
83.08605	15.3
85.02900	0.9
85.06528	3.8
91.05464	57.6
93.07028	78.0
94.07404	1.2
95.04358	1.4
95.04957	22.7
95.08592	37.7
97.06521	10.1
97.10164	3.0
98.06055	1.8
99.04431	0.9
99.08081	2.2
105.04504	2.9
105.07015	36.6
106.07367	0.9
107.04951	5.0
107.08574	32.1
109.06497	7.3
109.10143	9.8
111.08065	6.0
113.09612	1.0
115.05440	1.7
117.06998	13.7
119.08558	22.9
120.08897	1.3
121.06494	5.1
121.10123	15.2
123.08022	4.9
123.11718	3.7
125.09632	2.2
127.07511	1.6
128.06197	2.1
129.06984	12.8
129.07877	1.0
131.08545	9.4
133.06483	1.3
133.10109	14.8
133.11069	1.1
133.92319	0.9
135.08044	2.3
135.11667	8.8
135.97545	0.9
137.13263	1.0
141.09193	1.0
143.08534	5.7
145.10110	8.9
147.08040	3.1
147.11659	27.7
149.09612	2.2
149.11427	1.1
149.13229	18.0
151.11192	1.4
153.12755	1.5
155.08607	0.9
156.09328	0.9
157.10176	2.4
159.11670	8.9
161.09630	4.2
161.13228	10.2
163.11206	2.1
169.10172	1.4
171.11667	21.4
171.13120	1.4
173.13223	1.1
175.11174	1.2
177.12697	4.4
179.14287	1.4
184.30063	0.9
187.14815	1.9
189.12717	9.8
189.16341	1.4
193.12291	1.6
195.13779	7.6
207.13763	26.7
213.14749	1.1
225.14746	5.6
227.12773	1.0
232.14667	1.4
249.14784	1.2
251.16505	1.4
269.17520	1.1
272.83148	0.8
281.17554	1.4
304.26312	26.1
335.25754	9.6
383.21951	1.0
475.30606	100.0
476.30954	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	475.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03928	5.7
55.01851	3.3
55.05502	18.2
57.03419	3.9
57.07068	1.8
65.03931	4.1
67.05495	66.4
69.03429	1.6
69.07056	17.3
69.27231	10.4
71.04968	3.7
73.06544	1.4
77.03895	1.2
79.05482	68.7
80.05820	1.6
81.03416	7.4
81.07044	72.4
82.07363	1.1
83.04962	10.0
83.08605	12.1
85.06535	4.4
91.05468	49.7
93.07030	70.0
93.77612	0.9
95.04961	20.6
95.08591	31.3
97.02864	1.1
97.06509	9.3
97.10155	3.1
98.21442	1.9
99.08079	2.1
103.05499	1.4
105.04479	2.2
105.07019	33.2
107.04936	5.3
107.08577	31.5
109.06527	5.2
109.10149	7.5
111.08084	4.8
113.05984	0.8
115.05426	1.6
117.07015	11.3
119.07772	1.6
119.08568	18.9
121.06528	2.4
121.10118	14.5
123.08042	3.7
123.11677	2.3
123.24031	1.0
125.09614	1.1
127.07510	1.9
128.06226	1.2
129.06984	12.1
131.08548	7.6
133.10103	11.5
135.08020	2.5
135.11662	7.5
137.13203	0.8
139.07526	1.5
139.11121	1.1
143.08534	7.1
143.66388	0.8
145.10094	9.3
147.08054	2.1
147.11664	24.1
149.09610	1.6
149.13240	19.6
150.13629	1.0
151.11218	1.1
155.08539	1.1
157.10152	2.8
159.11652	10.7
161.09628	3.4
161.13228	8.3
163.11198	2.0
171.11674	19.9
177.12733	3.9
179.14276	1.7
189.12694	7.8
195.13765	5.6
207.13773	27.1
213.14803	1.0
225.14868	3.3
263.16611	1.0
269.17258	1.0
281.17404	1.5
401.26752	1.1
447.30997	1.2
457.29517	3.7
457.36530	1.6
475.30496	100.0
476.30908	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	475.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
63.39796	0.4
69.03403	1.1
71.04974	0.6
71.61719	0.6
72.76060	0.4
73.02873	0.6
81.03417	2.6
81.07066	0.4
83.04975	0.6
85.02876	1.5
88.32684	0.3
89.03905	3.4
89.06022	0.6
91.05458	1.1
93.07053	0.4
94.28931	0.5
95.04958	0.5
96.08051	0.4
97.02882	0.7
99.04453	0.7
101.05998	1.0
107.04961	0.6
109.02869	0.8
117.03357	13.7
119.04938	1.8
124.07551	0.3
125.05981	0.6
127.03886	0.8
134.03572	0.5
135.04427	0.6
137.09573	0.6
138.09169	0.3
145.02823	39.8
146.03123	0.9
147.03214	0.5
147.04381	9.2
148.04813	0.4
149.05957	5.1
151.03926	1.8
161.09558	0.5
163.03862	1.3
166.08624	1.3
166.71344	0.4
167.15823	0.4
177.05438	100.0
178.05806	2.2
179.06973	0.4
181.08554	1.3
186.05486	0.7
195.06479	1.7
197.08063	2.9
271.05969	0.7
295.11780	0.5
321.09555	3.2
339.10736	6.1
475.24060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.3
51.03082	0.3
53.03930	1.0
55.01859	0.4
55.05510	0.7
57.03422	0.9
61.02919	0.4
67.05507	0.6
69.03419	3.7
69.48576	2.4
70.06559	0.4
73.02908	0.5
74.15927	0.3
77.03914	0.3
81.03413	2.9
81.07043	0.7
83.04973	1.8
85.02897	4.3
85.06535	0.6
86.84850	0.4
93.07033	0.9
95.04962	0.6
95.08599	0.3
97.02882	2.6
97.06552	0.3
99.04434	0.8
103.05453	22.0
104.05794	0.3
105.07034	0.6
107.08567	1.0
109.02859	1.8
109.10136	1.0
111.04413	0.6
117.06889	0.3
119.04941	0.3
119.08553	0.6
121.10193	0.4
123.11710	0.5
127.03931	1.9
129.05455	0.9
131.04910	100.0
132.05241	2.1
133.10164	0.4
137.09596	0.4
145.04922	0.5
147.04391	1.2
147.06581	0.4
149.05963	7.4
151.11148	0.6
159.02832	0.4
165.07555	1.1
165.08997	0.4
167.07388	0.5
167.14268	0.5
169.12256	1.8
172.11957	0.4
173.13315	0.4
177.05498	0.7
177.21162	0.3
183.08614	1.3
188.67831	0.3
189.12720	0.5
190.13042	0.5
209.15388	3.2
219.13763	0.3
227.16341	1.4
229.15497	0.3
261.14948	0.3
264.07831	0.3
275.09158	2.9
293.10147	10.4
329.06131	0.4
433.75150	0.3
450.65125	0.3
475.32492	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	475.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03937	7.8
53.18178	1.3
55.01865	3.7
55.05501	25.2
57.03431	6.2
57.07058	5.0
59.31507	1.4
65.03918	3.5
67.05495	76.2
69.03414	1.8
69.06709	2.1
69.07059	25.5
69.97248	5.0
71.04984	6.5
71.08607	1.3
73.06528	1.8
73.44930	1.3
77.55883	1.2
79.05479	71.6
81.03407	9.4
81.07044	81.3
83.04965	13.0
83.08607	20.7
85.06524	4.2
89.99767	1.3
91.05467	54.7
93.07025	78.2
95.04944	20.2
95.08591	40.1
97.02869	1.7
97.06519	10.9
97.10155	5.0
99.08076	1.4
105.04516	2.4
105.07013	38.4
107.04944	5.9
107.08581	38.0
109.06493	7.7
109.10144	13.7
111.08058	6.6
113.05967	1.4
113.09650	1.6
115.05451	2.0
117.07012	13.4
119.08564	23.6
120.61765	1.2
121.06481	4.0
121.10121	18.8
123.08048	5.3
123.11674	5.2
127.07553	2.2
127.11224	1.6
128.06184	2.4
129.06976	11.6
130.07805	1.3
131.08545	14.2
133.10123	16.9
135.08049	2.1
135.11674	10.7
137.13220	2.5
143.08542	10.4
145.10107	10.7
147.08064	2.8
147.11667	29.2
147.12776	2.4
149.13223	23.5
155.08557	1.5
157.10158	3.7
159.11659	11.9
161.09616	4.7
161.13239	12.6
163.14780	2.4
167.14218	1.5
169.10033	2.1
171.11661	22.7
173.13194	2.0
175.14853	2.3
177.12735	5.4
177.16328	1.5
179.14250	1.6
183.11665	1.9
185.13206	3.3
187.14844	2.0
189.12756	8.9
189.16377	1.9
189.31036	1.2
195.13731	6.1
199.14816	2.1
201.16302	1.5
203.18181	1.7
207.13786	29.9
225.14836	3.6
295.30997	1.3
301.21606	1.6
359.33017	2.9
365.24850	1.4
383.25757	2.7
457.29568	2.2
457.36682	4.5
475.30487	100.0
475.37131	4.2
476.31018	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.01866	2.9
55.05503	19.8
57.03430	5.3
57.07058	2.4
59.04985	1.0
65.03934	3.4
67.05494	67.2
68.05812	1.2
68.70161	0.6
69.03442	1.6
69.07059	19.2
69.33508	2.5
69.33935	4.4
69.84090	0.6
71.01328	0.9
71.04981	4.8
73.06536	1.4
79.05000	1.1
79.05480	70.8
81.03410	7.8
81.07043	73.7
82.07362	0.7
83.04975	11.9
83.08607	11.5
85.06538	4.7
85.53085	0.7
86.03115	0.6
91.05465	48.4
92.05775	0.9
93.07028	67.2
94.07365	1.1
95.04955	19.2
95.08593	28.4
97.02850	0.7
97.06513	8.5
97.10167	3.7
99.08076	1.8
103.05420	1.0
105.04527	1.6
105.07010	28.1
107.04947	4.9
107.08578	30.3
108.08865	1.0
109.06495	6.3
109.10132	6.3
111.08034	4.7
113.06034	0.8
113.09621	0.9
115.05426	1.0
117.07005	10.6
118.07381	0.7
119.08560	18.9
120.08939	0.7
121.06494	3.0
121.09286	1.2
121.10122	13.7
123.08076	3.2
123.11687	2.3
127.07526	1.5
128.06213	2.4
129.06987	11.4
130.07744	0.8
131.08563	9.0
133.06494	0.7
133.10110	12.9
135.08006	1.9
135.11676	5.5
139.07530	0.8
139.11205	1.0
139.84988	0.6
141.07010	1.0
141.09116	0.8
143.08559	5.9
145.10106	7.4
147.08015	2.4
147.11668	23.9
148.11922	0.7
149.13239	17.1
149.14355	1.4
150.13530	0.8
151.07474	0.9
151.11162	0.7
155.08589	0.8
156.09337	1.0
157.10054	0.6
159.11662	9.4
161.09621	3.4
161.13232	7.5
163.11166	1.5
165.09094	1.9
169.10094	0.9
171.11665	19.2
173.13167	1.0
175.14798	1.0
177.12686	4.1
177.16235	0.8
179.14244	1.3
189.12721	9.2
195.13802	6.1
205.15935	1.0
207.13774	25.8
208.14235	1.1
225.14738	5.3
251.16568	0.9
263.16452	0.8
269.17398	1.1
281.17447	1.2
324.10245	0.7
333.55017	0.7
355.26532	0.8
365.24689	0.7
371.17917	0.7
383.25711	1.7
401.26901	0.9
406.19589	0.7
429.36209	2.5
439.32007	1.2
457.28516	1.4
475.30453	100.0
476.30804	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	475.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.4
53.03936	1.1
55.01839	0.3
55.05508	0.4
57.03418	0.9
61.02908	0.4
63.02361	0.3
64.80619	0.3
67.05490	1.6
69.03419	4.9
69.07034	0.4
70.06574	0.4
71.04975	0.5
71.54666	0.6
77.03886	0.5
79.05482	0.9
81.03403	3.4
81.07031	1.3
83.04968	0.9
85.02893	4.4
85.06538	0.5
87.04448	0.3
91.05459	1.5
93.07028	1.2
95.04955	1.3
95.08574	0.9
97.02876	2.3
97.06538	0.5
99.04430	1.0
103.05450	20.9
104.05777	0.4
105.07019	1.3
107.04928	0.7
107.08568	1.3
109.02853	1.3
109.06503	0.6
109.10140	1.1
111.04385	0.4
115.03932	0.3
117.03355	0.4
119.04919	1.1
119.08575	1.1
121.02844	0.8
121.06483	0.7
121.10127	0.8
123.04426	0.4
123.08055	0.3
125.09583	0.6
125.34200	0.3
127.03903	2.2
129.05437	0.9
129.07008	0.4
131.04903	100.0
132.05234	1.9
133.10057	1.0
135.08069	0.4
135.11690	0.4
137.05974	0.6
137.09619	1.0
145.02811	1.1
145.04903	0.7
145.10106	0.5
147.04381	2.9
147.06502	1.0
147.08043	1.2
148.04684	0.5
149.05962	6.9
149.09575	0.4
149.13168	0.3
151.03891	0.8
151.11092	0.4
159.08020	0.4
161.09578	0.5
165.07600	0.8
165.09093	2.0
167.07018	1.2
177.05452	2.8
178.05719	0.4
181.96581	0.3
183.08594	1.3
191.06924	0.6
193.08575	1.1
205.08780	0.4
218.88066	0.3
230.14619	0.5
248.08376	0.3
271.06076	0.4
275.09048	2.0
278.62845	0.3
279.08707	0.3
281.13828	0.5
293.10162	10.9
294.10684	0.5
321.92941	0.3
323.12833	0.4
334.19022	0.4
351.12103	0.4
368.12457	0.4
383.14917	0.8
475.14758	1.4
475.21069	1.5
475.32855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1228
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
55.05516	5.3
57.03415	3.6
61.02918	3.1
67.05481	2.0
69.03403	5.3
69.07030	1.6
70.77412	3.3
71.04984	58.0
75.04482	6.5
79.51315	1.3
81.03417	1.2
81.07032	4.6
83.04973	27.9
83.44568	1.2
85.02898	17.1
87.04462	7.3
87.86698	1.3
91.05468	3.4
93.07018	2.6
95.08620	2.2
99.04416	1.7
101.06010	1.2
101.88104	1.1
105.07009	3.2
107.08601	3.5
109.06535	1.4
109.10136	3.6
111.04427	63.7
113.02419	1.4
113.06000	25.4
115.03904	3.7
117.05501	11.8
119.08585	3.0
121.02845	3.8
121.10122	1.7
125.05994	1.5
125.09614	2.9
129.05464	95.1
130.05800	1.1
133.10069	1.8
135.11688	1.8
137.09586	1.8
143.08577	1.3
145.10127	2.7
147.04344	6.1
147.11670	1.5
153.01816	4.4
153.05423	1.7
163.11180	1.3
165.09090	4.8
171.06497	29.2
189.07558	45.8
191.14304	1.2
258.05200	1.5
271.05936	1.4
287.05460	100.0
288.05780	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1229
Annotation	Kaempferol 3-(4''-acetylrhamnoside)
Peak:m/z	Relative Intensity
53.03958	0.4
55.05503	2.4
61.02914	1.3
68.91371	0.3
69.03419	53.7
71.01350	1.9
71.04991	5.6
77.21403	0.5
81.82157	0.5
83.04971	14.6
85.02887	4.8
87.04492	0.5
99.29344	0.4
101.06010	0.6
111.00832	0.5
111.04431	16.5
121.02837	2.2
129.05458	33.4
137.02264	0.6
153.01826	2.5
165.01855	1.5
183.02927	0.8
185.06009	0.4
189.07553	10.8
203.42621	0.4
213.05482	1.4
213.23132	0.4
229.67470	0.4
231.06523	0.8
241.04933	0.6
258.05148	1.0
287.05457	100.0
288.05756	2.7
329.06430	0.6
379.07733	0.6
397.08807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56481	0.3
53.03925	0.4
55.05499	2.1
57.03428	4.3
57.07066	7.3
58.06591	30.2
59.07373	8.5
60.08155	8.1
67.05501	5.4
69.07050	2.5
71.08625	4.5
73.02881	1.0
75.04473	2.5
79.05485	3.2
79.88177	0.3
81.03391	0.4
81.07044	6.0
81.17940	0.4
83.04930	0.9
83.08611	2.3
84.08100	0.4
85.02902	1.9
85.06518	0.4
85.10168	2.4
87.04454	4.0
88.75406	0.3
91.05457	2.7
93.05522	0.4
93.07022	3.7
95.04928	1.3
95.08047	0.4
95.08593	5.3
97.06492	0.8
97.10143	1.0
100.11216	0.4
101.06022	0.4
102.05506	0.5
103.03899	0.7
105.05473	0.7
105.07014	2.6
107.08544	2.4
109.10163	1.9
111.08038	0.5
113.05962	0.9
117.07007	0.8
119.08541	1.3
121.10122	1.3
123.11701	0.4
129.07001	0.7
131.06979	1.6
131.08522	0.8
133.10083	1.1
135.11673	0.6
140.06032	0.3
144.09120	0.5
144.10178	7.6
147.11661	1.6
149.13205	1.5
161.13222	0.8
162.11249	1.2
171.11650	1.4
187.14775	0.4
189.12608	0.7
189.16345	0.4
205.15778	1.1
206.16179	0.8
207.13733	1.1
207.17320	0.6
218.13803	0.9
236.14893	81.1
237.15273	1.3
251.46161	0.4
313.27301	1.3
369.30167	0.5
412.38022	0.9
428.36020	2.8
456.36810	20.3
457.37112	1.1
474.37848	100.0
475.30508	5.9
475.38190	6.0
489.26337	0.4
491.67838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01862	1.1
55.05495	2.0
57.03417	1.0
57.07063	0.9
60.04507	0.5
60.90646	0.7
61.02921	1.2
63.57027	0.7
67.05503	2.8
69.03420	35.4
69.07056	3.0
69.41556	0.6
69.41953	4.8
70.03746	0.5
71.04974	2.2
73.02902	1.4
73.55983	0.5
73.78455	0.5
79.05467	2.1
81.03416	4.2
81.07047	3.4
83.04954	3.2
83.08597	1.0
85.02412	0.9
85.02895	11.4
85.06519	2.2
87.00823	3.8
91.05479	2.7
93.07027	3.7
95.04968	1.0
95.08598	6.7
97.02891	5.4
97.06506	3.1
99.04429	2.3
105.01866	4.6
105.07029	3.0
107.08587	8.7
109.02837	3.5
109.06513	3.3
109.10151	3.2
111.04391	0.8
111.08082	2.8
117.01821	0.8
119.04897	1.4
119.08573	3.9
121.02831	1.3
121.06475	2.1
121.10137	6.9
123.04402	3.8
123.08036	1.5
123.11683	4.0
125.08739	1.0
125.09616	14.9
127.03896	8.0
130.08627	1.0
131.04918	0.8
131.08560	4.3
133.10098	3.8
135.08038	8.0
135.11687	3.4
137.09584	1.6
137.13229	0.6
138.09964	0.9
139.03900	2.6
140.04274	0.6
143.08560	1.0
145.04955	3.1
145.10115	4.6
147.04399	4.1
147.11658	2.3
148.04703	1.4
149.09615	4.5
149.13197	2.4
151.11143	1.4
153.09091	4.8
158.10899	1.6
159.02881	2.2
161.09557	0.9
163.11130	2.6
163.14821	3.2
165.09100	1.2
165.12733	2.0
167.06946	0.5
171.11772	0.8
173.13252	17.4
174.13585	0.5
176.11824	0.6
177.05585	0.7
191.14282	64.1
192.14568	1.9
196.98288	0.5
209.15340	100.0
210.15633	3.1
221.08163	0.6
231.04990	1.1
245.11586	1.2
259.09720	0.7
264.87781	0.6
277.14267	1.6
287.05515	0.8
290.75427	0.5
312.36389	0.5
327.04810	1.2
328.05408	1.2
474.10675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01862	1.1
55.05495	2.0
57.03417	1.0
57.07063	0.9
60.04507	0.5
60.90646	0.7
61.02921	1.2
63.57027	0.7
67.05503	2.8
69.03420	35.4
69.07056	3.0
69.41556	0.6
69.41953	4.8
70.03746	0.5
71.04974	2.2
73.02902	1.4
73.55983	0.5
73.78455	0.5
79.05467	2.1
81.03416	4.2
81.07047	3.4
83.04954	3.2
83.08597	1.0
85.02412	0.9
85.02895	11.4
85.06519	2.2
87.00823	3.8
91.05479	2.7
93.07027	3.7
95.04968	1.0
95.08598	6.7
97.02891	5.4
97.06506	3.1
99.04429	2.3
105.01866	4.6
105.07029	3.0
107.08587	8.7
109.02837	3.5
109.06513	3.3
109.10151	3.2
111.04391	0.8
111.08082	2.8
117.01821	0.8
119.04897	1.4
119.08573	3.9
121.02831	1.3
121.06475	2.1
121.10137	6.9
123.04402	3.8
123.08036	1.5
123.11683	4.0
125.08739	1.0
125.09616	14.9
127.03896	8.0
130.08627	1.0
131.04918	0.8
131.08560	4.3
133.10098	3.8
135.08038	8.0
135.11687	3.4
137.09584	1.6
137.13229	0.6
138.09964	0.9
139.03900	2.6
140.04274	0.6
143.08560	1.0
145.04955	3.1
145.10115	4.6
147.04399	4.1
147.11658	2.3
148.04703	1.4
149.09615	4.5
149.13197	2.4
151.11143	1.4
153.09091	4.8
158.10899	1.6
159.02881	2.2
161.09557	0.9
163.11130	2.6
163.14821	3.2
165.09100	1.2
165.12733	2.0
167.06946	0.5
171.11772	0.8
173.13252	17.4
174.13585	0.5
176.11824	0.6
177.05585	0.7
191.14282	64.1
192.14568	1.9
196.98288	0.5
209.15340	100.0
210.15633	3.1
221.08163	0.6
231.04990	1.1
245.11586	1.2
259.09720	0.7
264.87781	0.6
277.14267	1.6
287.05515	0.8
290.75427	0.5
312.36389	0.5
327.04810	1.2
328.05408	1.2
474.10675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27152	0.2
51.11396	0.2
53.03928	0.4
55.05251	0.5
55.05496	4.3
56.03339	0.2
57.07066	16.8
58.07380	0.3
65.03922	0.7
67.05486	0.9
69.03404	1.0
69.07055	0.6
70.28182	0.8
70.28587	0.6
71.04963	0.3
71.40075	0.2
73.06530	1.0
79.05475	0.9
81.03392	0.9
81.07053	1.3
83.04955	0.4
83.08634	0.4
84.99512	0.3
85.02892	1.7
85.96086	0.3
91.05456	1.2
93.03409	0.3
93.07028	0.8
95.04964	0.6
95.08601	1.0
97.02839	0.4
97.06475	0.3
97.10152	0.7
98.21590	0.3
105.07017	0.6
107.08577	1.1
109.06488	0.4
109.10149	1.1
110.10466	0.3
119.08549	0.9
121.02834	1.9
121.06493	0.3
121.10109	0.8
122.10374	0.3
125.09576	0.4
126.56815	0.3
129.07043	0.5
131.04886	0.5
131.08531	0.9
133.10051	0.5
135.07967	0.3
137.09619	0.4
138.09953	0.3
145.04990	0.3
145.10114	0.5
147.08015	0.4
147.11711	0.5
149.02316	100.0
150.02649	1.8
159.11746	0.4
161.05984	1.3
163.11209	0.3
165.09087	4.7
166.09413	2.2
167.03400	1.8
171.11636	0.3
173.09631	0.3
175.07520	4.1
184.07289	0.4
190.04980	0.7
203.06989	5.5
205.08575	7.9
205.11955	0.3
210.25903	0.3
221.08044	1.4
223.09665	0.7
253.38692	0.3
262.11008	0.5
277.14294	31.5
278.14691	1.1
287.05304	0.4
289.14188	0.3
295.15320	2.0
297.54764	0.3
321.12323	0.9
383.22281	0.4
401.23032	0.3
444.11066	0.3
457.25696	0.4
474.20041	1.0
474.26913	0.3
475.27042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01873	1.7
55.05502	10.8
57.03433	3.9
57.07060	3.3
65.03938	1.7
67.05496	20.4
69.03419	4.2
69.07060	12.7
70.77924	4.1
71.01345	1.2
71.04989	2.3
72.84701	1.1
79.05479	16.6
81.03413	4.2
81.06568	2.2
81.07050	44.5
83.04958	6.2
83.08621	9.1
85.02880	3.5
85.06522	3.7
91.05472	19.7
93.07033	33.0
93.48717	1.1
95.04948	7.2
95.08598	53.6
96.08894	1.5
97.02898	2.6
97.06528	4.7
97.10168	4.9
99.04457	1.5
99.08085	1.7
105.03407	1.2
105.07019	39.8
107.04957	3.9
107.08588	50.9
109.06489	7.4
109.10149	34.7
109.10890	1.7
111.04472	2.0
111.08051	3.4
113.09610	1.8
115.03925	2.2
115.05426	1.7
117.07029	7.5
119.08569	54.0
121.06496	4.6
121.10133	46.0
123.08061	5.2
123.11688	28.6
125.06002	1.6
125.09618	3.5
127.03908	2.7
127.07548	2.5
128.06232	1.7
129.06998	6.0
131.08551	19.1
133.06480	2.2
133.10115	39.1
135.08060	5.4
135.11681	28.9
137.09619	5.4
137.13239	1.8
141.06981	2.9
142.07802	5.6
143.08548	11.0
144.09361	2.4
145.06464	2.1
145.10117	28.6
147.04333	1.4
147.08029	5.1
147.11667	34.8
147.12775	2.4
149.06056	1.2
149.09602	5.7
149.13245	19.2
149.39284	1.1
151.07576	2.3
151.11145	6.7
153.09085	2.7
155.08545	6.6
156.09303	3.3
157.10133	13.6
158.10834	1.6
159.08064	5.3
159.10402	2.5
159.11668	26.0
161.09616	5.3
161.13268	17.4
163.07680	1.3
163.11156	3.4
163.14807	21.8
165.09125	4.9
165.12833	2.9
167.08464	1.2
167.10704	1.3
168.09401	2.0
169.10112	7.3
170.10701	1.2
171.08051	1.8
171.11655	13.7
173.09608	3.8
173.13245	15.5
175.11166	6.7
175.14812	18.6
177.09216	1.9
177.12738	3.4
177.16362	19.5
178.67012	1.3
179.14310	1.7
179.17908	5.1
181.10091	3.4
183.11639	7.6
185.09560	2.2
185.13252	6.5
187.11186	5.7
187.14793	20.1
188.15092	1.6
189.09105	1.7
189.12782	5.8
189.16360	74.0
190.16698	2.1
191.10692	1.5
191.14301	1.6
191.17923	13.8
193.10132	1.8
193.12196	2.7
193.15897	2.5
195.11697	2.4
197.13239	4.0
199.11182	5.1
199.14841	5.2
201.09123	1.5
201.12746	4.6
201.16365	11.9
203.10684	3.1
203.14320	2.1
203.17918	30.0
203.19713	2.0
205.12234	2.3
205.15874	3.4
205.19588	2.1
207.17416	100.0
208.17793	1.6
209.13304	2.8
211.11124	2.4
211.14865	2.0
213.12753	2.7
213.16385	5.5
215.14326	2.3
215.17964	7.2
217.12242	5.0
217.15797	3.1
217.19504	3.4
219.13773	3.6
219.17426	1.9
221.15413	2.1
225.16365	2.0
227.14246	1.2
227.17967	3.3
229.12277	4.5
229.19609	2.3
231.13789	3.1
231.17365	1.5
233.15280	2.0
235.16852	4.1
239.17941	1.6
241.19467	2.4
243.21072	2.9
247.13303	12.3
247.16920	2.3
249.18515	2.8
265.14334	11.1
269.22662	2.8
283.15497	2.7
287.23645	3.3
295.15366	2.6
295.20889	1.6
329.21439	1.4
389.28442	1.5
391.33533	2.5
407.29269	2.0
409.34869	11.3
419.29343	3.8
425.30423	2.3
427.36121	1.8
437.30258	6.7
437.34546	4.7
455.30740	7.5
473.36810	62.3
474.36371	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3624
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
50.83614	1.8
51.02385	2.8
53.03936	6.4
53.74348	1.6
55.01860	2.9
55.05507	18.1
56.74781	2.1
57.03413	3.5
57.04811	1.7
57.07058	4.7
63.18793	2.0
65.03944	2.8
67.05491	28.4
69.03417	5.6
69.07068	23.2
71.04981	5.5
71.51630	3.1
73.58531	1.8
73.77205	1.8
79.05488	34.0
81.03403	19.2
81.07049	51.7
83.04958	9.8
83.08620	17.1
85.02908	1.9
85.06538	6.4
87.04488	2.2
91.05469	30.7
91.05994	3.0
93.07033	55.1
94.07352	2.1
95.04960	13.9
95.08598	74.2
97.06519	6.1
97.10162	7.0
99.08108	3.0
105.07014	50.3
106.07324	2.1
107.04957	5.3
107.08582	66.4
108.08885	1.9
109.06493	10.8
109.09401	1.7
109.10139	48.9
111.08080	6.1
113.09642	2.1
116.98598	4.0
117.07002	10.4
119.08574	63.5
120.08842	2.9
121.06512	6.4
121.10135	51.0
123.08058	8.5
123.11668	16.4
125.09603	6.3
127.07585	3.3
129.06949	10.8
131.08563	22.6
133.06496	3.3
133.10117	59.1
134.99646	3.2
135.08069	6.1
135.11684	27.1
137.09605	5.0
137.13226	4.4
139.07509	3.8
142.07706	2.1
143.08589	10.6
145.06422	4.0
145.10117	31.8
147.08014	4.3
147.11668	50.6
149.09601	7.9
149.13229	24.0
151.11176	4.1
153.09105	6.0
155.08578	3.7
155.43507	2.4
157.10100	14.8
159.08080	3.1
159.11682	24.5
161.09610	7.3
161.13246	25.7
163.11188	7.9
163.14786	20.5
165.09084	12.3
165.12677	4.2
167.10687	5.4
169.10133	5.6
171.08000	2.2
171.11642	12.6
173.09607	4.3
173.13234	14.6
175.11176	6.0
175.14792	24.0
177.12769	5.0
177.16354	29.9
179.10747	2.7
179.14334	3.7
181.10088	4.0
183.11673	6.5
185.13252	9.0
187.11171	4.7
187.14821	25.8
189.12779	6.4
189.16374	81.6
191.14305	3.6
191.17929	15.4
193.10402	2.1
193.12225	6.8
195.11705	3.6
197.13257	2.8
199.14734	3.6
201.12802	3.3
201.16321	17.8
203.10751	2.3
203.14447	4.0
203.17941	99.4
205.15854	57.1
205.19498	6.1
207.11963	2.6
207.13794	7.0
207.17426	26.1
209.13245	2.5
211.14842	4.3
213.16415	6.0
215.18002	6.8
217.12181	2.2
217.15790	2.2
217.19479	3.8
219.13792	3.3
219.17438	4.8
221.19017	3.4
223.14902	3.6
223.16936	2.6
225.16426	2.5
227.14333	3.0
227.18120	4.0
229.15849	2.7
229.19533	4.2
231.17433	6.5
235.16954	7.7
237.16266	2.4
247.16937	4.7
249.18526	20.2
257.22733	2.3
333.24292	7.6
354.80643	1.9
381.19894	2.5
381.34909	2.1
391.33679	5.3
406.28601	1.9
409.34689	91.7
410.34741	3.2
414.53650	2.3
427.36041	10.2
437.34671	18.1
450.22180	9.7
455.31607	7.0
455.35968	2.0
473.14615	2.7
473.29147	22.7
473.36166	100.0
474.36151	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.05504	24.8
57.03411	3.3
63.93589	3.0
64.57417	3.4
65.03932	4.1
67.05495	57.6
69.03423	3.8
69.07062	22.5
71.04993	5.7
71.62651	4.9
79.05483	52.2
81.03412	10.9
81.07050	69.0
83.04948	13.0
83.08608	18.4
85.02911	4.1
85.06541	6.1
91.05473	57.3
93.07031	70.5
95.04960	13.8
95.08597	86.8
97.06503	8.6
97.10165	7.2
105.06367	5.9
105.07017	72.1
107.04928	10.8
107.08582	86.0
108.08853	4.4
109.06505	11.1
109.10149	63.1
111.08060	10.9
115.05444	4.3
117.07010	9.8
119.06867	3.1
119.08569	100.0
120.08848	4.8
121.06501	4.8
121.10125	71.5
123.08049	13.8
123.11719	17.3
125.09624	9.0
127.11230	4.1
129.06975	14.5
131.08543	35.3
133.10104	77.2
135.08025	14.5
135.11681	38.3
137.09598	5.3
137.13202	7.9
139.07536	3.6
141.09074	4.9
142.07683	4.1
143.08517	17.0
145.10101	50.9
147.08075	8.2
147.11673	55.1
149.09586	12.1
149.13219	22.5
151.11177	4.3
153.09039	8.2
155.08542	5.1
157.10146	22.7
159.11682	36.0
161.09563	7.4
161.13263	30.4
163.11189	10.2
163.14825	21.8
165.09138	5.1
165.12672	6.0
167.10670	3.2
169.10117	8.2
171.11665	20.3
173.13248	25.4
174.13882	3.3
175.11197	16.1
175.14824	29.4
177.09023	4.2
177.12703	11.9
177.16371	19.2
182.17346	4.0
185.13213	14.9
187.11153	4.4
187.14807	70.6
189.11142	8.5
189.12637	8.4
189.16344	43.1
191.10567	4.5
191.14265	8.6
191.17946	33.9
193.12212	10.4
197.13284	4.5
199.14771	9.4
200.15256	4.4
201.12709	14.7
201.16368	35.5
203.14389	7.2
203.17915	30.2
205.12143	5.6
205.15741	4.6
205.19464	5.4
207.13771	12.2
207.17365	5.7
211.14935	3.9
213.16396	9.8
215.17940	10.1
217.12321	5.1
217.15788	5.6
217.19484	5.8
219.13795	9.7
219.17563	6.3
221.15334	5.2
227.17822	5.3
229.19495	8.1
231.17435	5.6
233.15421	5.8
235.16956	12.7
237.14728	4.6
245.15373	6.1
247.16963	12.6
249.18471	54.9
253.19304	4.1
267.19519	15.4
275.20175	3.7
331.22525	4.4
367.29901	4.3
391.29944	13.5
409.30356	32.8
413.30426	6.5
427.31772	57.5
437.34988	17.8
455.34991	19.4
473.28220	13.5
473.33450	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	473.3623
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03951	2.1
55.05504	14.9
57.03434	1.8
57.07067	4.4
60.43420	1.5
60.45805	1.3
67.05495	14.5
69.07059	18.2
70.68039	4.4
79.05473	14.9
79.05807	1.3
81.07050	33.2
83.04952	1.7
83.08602	11.1
85.06535	2.9
91.05466	14.9
93.07031	27.0
95.04961	3.2
95.08594	64.3
96.08930	2.4
97.06529	2.4
97.10180	5.4
99.08075	1.7
105.07022	33.2
105.07659	2.2
107.08582	58.7
109.06509	3.3
109.10144	33.7
111.08109	4.6
111.11742	1.4
117.07034	3.6
119.08567	59.2
121.06519	2.3
121.10133	43.6
123.08078	3.0
123.11687	14.1
123.12422	1.4
125.06006	1.8
125.09656	3.6
131.08545	8.9
133.10117	43.5
135.08051	2.7
135.11682	23.6
137.09671	2.4
137.13290	2.8
139.07565	2.5
143.08571	2.7
145.10094	19.7
146.10593	2.5
146.16466	1.2
147.11674	37.5
147.12755	2.6
149.09656	2.2
149.13240	21.7
151.07568	2.7
151.11171	3.9
153.09142	5.3
157.10130	4.0
158.10921	1.8
159.11682	21.4
160.12170	1.7
161.09659	1.8
161.13240	27.7
163.11171	8.5
163.14813	19.7
165.09109	1.5
167.10637	4.0
171.11653	3.7
173.13245	10.0
174.13750	1.6
175.11224	2.0
175.14804	23.1
177.12775	3.8
177.16362	26.4
177.17772	1.6
179.10672	1.6
179.14374	4.1
179.18019	1.7
183.11787	1.8
185.13324	2.5
187.14789	23.3
189.12831	2.7
189.16354	89.5
191.14478	2.0
191.17944	14.7
193.12338	2.1
199.14795	3.9
201.16367	17.2
202.16794	2.1
203.17932	100.0
205.15846	53.4
205.19595	5.6
207.13763	1.9
207.17406	24.0
209.15659	1.3
211.14743	1.5
213.16339	3.4
215.17953	6.5
217.15970	2.7
217.19591	4.5
219.17474	4.8
221.15385	1.6
221.19087	3.1
223.16931	2.6
229.19534	3.4
231.17497	2.9
231.21132	2.2
235.16919	8.0
239.18098	1.5
241.56261	1.4
243.17339	1.6
243.21150	2.0
247.17009	4.1
249.18443	18.6
257.22644	3.2
259.20642	1.4
269.14337	1.3
295.24432	1.6
391.33694	5.6
399.31631	1.8
409.34662	90.4
410.35205	3.7
411.36914	1.5
427.31992	9.0
427.36115	8.5
437.34445	19.2
455.35953	6.8
473.36389	93.3
474.36435	2.8
479.83978	1.6
485.74554	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3622
Annotation	Hispidone
Peak:m/z	Relative Intensity
55.05493	15.4
57.07054	5.6
67.05494	18.5
69.07068	15.9
69.51434	12.8
69.51865	6.0
70.43649	2.2
75.24091	2.1
79.05481	18.4
81.03416	3.2
81.07048	39.5
81.38414	2.0
83.04998	2.8
83.08604	11.5
85.06501	5.3
91.05461	17.5
93.07028	38.1
95.04951	5.6
95.08598	75.7
97.10146	6.1
99.08082	3.1
105.07014	38.8
107.08576	58.4
109.10140	40.8
109.10820	4.0
111.08052	3.1
117.06996	6.9
119.08571	73.3
120.08891	2.5
120.33824	2.2
121.06564	2.2
121.10123	46.4
123.08042	2.4
123.11689	12.1
125.09618	4.2
129.01648	2.2
129.07031	2.5
131.08545	24.0
133.06454	2.3
133.10114	57.2
135.08072	5.9
135.11684	34.9
137.09566	3.3
137.13252	4.6
143.08598	5.8
145.10118	40.4
147.07990	3.8
147.11662	33.3
149.13260	14.6
151.07487	2.8
151.79019	2.1
153.09114	3.0
155.08463	2.5
157.10103	7.3
159.08075	3.5
159.11690	34.6
161.13264	18.8
163.07500	6.2
163.14838	22.3
165.08974	3.1
165.12753	3.8
169.10144	3.0
171.11691	7.2
172.12407	3.0
173.09605	4.5
173.13254	21.1
175.14801	20.4
177.09108	5.9
177.16396	13.4
179.14287	4.1
183.11662	2.9
185.13249	6.6
187.11060	2.3
187.14803	34.5
189.12694	3.3
189.16354	33.5
191.10683	2.9
191.17929	100.0
193.12167	2.9
193.15831	2.8
197.13280	2.7
199.14801	5.3
201.14662	2.6
201.16357	70.8
203.17937	33.7
204.27835	2.1
205.12067	2.2
205.15865	3.3
205.19554	7.7
207.17435	9.1
211.14763	3.1
213.16341	8.1
215.14337	4.8
215.17877	13.5
215.77783	2.3
217.15797	3.2
217.19550	7.2
219.13855	2.1
219.17439	18.2
219.19382	3.1
221.15308	4.2
221.18999	2.7
223.16808	2.2
225.16357	2.4
227.17958	5.7
229.15849	6.6
229.19528	12.5
233.15495	2.7
241.19421	5.8
243.20978	3.3
245.15390	3.0
247.16930	44.6
249.18585	2.3
255.20969	2.4
261.18350	4.7
265.17966	8.0
269.22562	3.2
273.18393	2.7
287.20200	4.6
353.28629	3.5
391.33554	8.8
399.28897	23.0
409.34912	28.4
427.35684	11.4
437.34430	23.0
455.36093	26.9
458.76035	2.5
473.35172	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	473.3619
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05497	23.9
57.07050	7.5
67.05495	33.7
69.06725	2.5
69.07059	36.7
69.40221	21.4
71.04969	2.3
71.08602	4.3
79.05484	18.3
81.03361	2.4
81.07040	60.7
83.04946	3.6
83.08601	23.7
89.30522	2.2
91.05454	12.7
93.07023	30.4
95.04899	3.6
95.08589	100.0
96.08904	2.6
97.06521	4.5
97.10156	18.6
105.07015	28.7
107.07863	4.2
107.08568	51.9
109.06483	3.8
109.10129	59.6
111.08060	3.8
111.11676	7.8
117.06940	4.7
119.08560	43.5
121.06485	2.9
121.10114	43.1
122.10418	2.7
123.08037	4.4
123.11692	26.2
125.05939	3.0
125.09581	3.8
125.13231	2.9
127.07578	2.8
131.08543	8.8
133.10100	35.6
135.08061	3.0
135.11678	27.7
137.09550	3.5
137.13211	10.7
145.10094	24.6
147.11658	24.6
149.09589	4.0
149.13231	19.0
151.14777	4.3
153.09071	8.3
156.23479	2.5
157.10068	4.8
159.11626	12.5
161.09476	3.4
161.13217	15.2
163.11182	4.0
163.14812	15.9
165.09029	6.8
165.12741	2.4
167.10629	6.4
171.11661	5.4
173.13249	9.4
175.14842	19.5
177.16348	14.6
179.14244	4.0
181.12195	6.7
183.11621	3.7
185.13203	3.5
187.14786	47.2
189.16364	45.6
191.17929	19.5
193.12354	2.4
193.15999	2.6
195.13705	5.8
199.14673	3.1
201.16347	10.5
203.17911	62.6
205.15816	8.9
205.19435	5.8
207.17464	5.7
213.16437	2.9
215.17929	6.9
217.15907	2.5
217.19489	10.1
219.17445	3.8
223.16943	15.1
231.20943	5.1
235.16902	8.6
237.18518	11.0
247.16888	3.1
249.18425	21.4
263.19818	2.8
271.24133	5.4
313.25009	4.6
331.26312	7.9
391.33713	5.9
401.41336	16.0
409.34592	45.2
419.33633	2.7
419.42160	4.6
427.35593	67.6
437.34256	12.6
455.35748	14.1
473.35114	20.1
474.19968	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3621
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05499	2.6
57.07056	1.3
62.33214	0.3
67.05495	4.0
69.07060	4.3
69.84975	2.2
71.04980	0.4
71.46386	0.3
79.05487	3.1
80.99215	0.3
81.03445	0.3
81.07042	9.4
83.04967	0.4
83.08598	2.7
85.06530	0.4
91.05457	3.5
93.07034	9.6
94.07346	0.5
95.04970	1.2
95.08595	14.7
97.06505	0.9
97.10150	1.1
98.20808	0.5
105.07015	8.6
107.08578	14.3
109.06487	1.5
109.10143	9.1
111.08048	1.7
113.39137	0.3
117.07019	1.2
119.08562	15.1
121.10129	8.5
123.08045	3.4
123.11678	4.4
125.09649	0.7
127.11214	0.5
128.06189	0.4
129.06972	0.4
130.07703	0.4
131.08545	4.2
133.09090	0.7
133.10107	14.2
133.47253	0.3
134.10446	0.4
135.08046	0.8
135.11670	11.5
137.09624	0.8
137.13229	1.5
138.86330	0.3
143.08537	1.7
145.10101	8.0
147.11668	11.7
149.09552	0.4
149.13249	5.1
150.13544	0.4
151.11200	0.9
157.10107	2.1
159.10431	0.5
159.11674	7.9
160.12108	0.6
161.13231	5.4
163.14784	3.9
165.12755	0.6
169.10143	0.7
171.11673	1.9
173.13226	3.5
175.14816	4.7
177.12791	0.8
177.16379	2.6
179.10664	0.7
179.14319	0.7
183.11707	0.5
185.13216	2.5
187.14809	8.4
189.12798	0.4
189.16354	12.3
191.17914	1.6
197.13258	0.5
199.14740	2.3
201.16354	15.2
203.14111	0.4
203.17928	9.6
205.15860	5.5
207.17416	14.6
207.19373	0.7
208.17720	0.4
211.14825	0.4
213.16353	2.5
215.17934	4.7
217.15894	0.5
217.19534	1.2
219.17377	2.4
221.15372	0.7
221.18948	1.3
227.17934	0.9
229.19458	3.1
233.15334	0.6
233.18950	0.4
235.16934	0.7
241.19456	2.0
243.21071	1.8
247.16949	7.0
247.19621	0.5
247.20451	0.3
249.18352	0.4
251.16217	0.5
253.19681	0.4
255.21057	5.0
257.22623	2.2
267.20920	0.5
269.22647	2.3
275.20074	0.5
287.20047	0.8
289.21527	0.8
301.21558	2.9
303.23172	1.4
309.25418	0.4
313.21744	0.5
313.24933	0.4
315.23297	2.0
331.26282	4.9
357.27765	4.4
371.56934	0.3
391.33383	2.3
409.34601	5.9
419.32947	0.5
427.35666	100.0
428.36047	4.3
437.34116	7.1
455.35196	5.1
473.30112	0.7
473.36307	9.4
474.36530	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.362
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
55.05495	5.0
55.24347	1.4
59.47369	1.6
62.23684	1.4
67.05490	6.4
67.88432	1.3
69.07049	6.4
70.36346	1.5
79.05489	7.3
81.07050	14.4
83.04961	1.4
83.08598	4.4
91.05466	4.8
93.07035	13.4
95.08589	34.3
105.07028	13.0
107.08575	36.3
109.10141	16.4
110.59866	1.4
119.08566	29.6
121.10126	26.9
123.11698	4.1
129.34796	1.3
131.08517	4.3
133.10110	24.9
135.08098	1.7
135.11684	14.3
143.08521	1.7
145.10092	14.7
147.11659	15.4
149.09608	2.1
149.13216	5.8
153.09061	1.6
159.11700	7.2
161.13231	10.3
163.11169	15.4
163.14786	7.0
173.13284	3.9
175.14809	15.7
177.16341	19.9
179.14305	4.5
187.14799	20.3
189.16362	50.9
191.17970	6.9
192.45113	1.5
201.16356	6.9
203.10672	1.4
203.16029	2.3
203.17915	34.3
203.19720	2.5
205.15857	100.0
205.19604	4.4
206.16335	1.8
207.17404	17.5
215.17923	4.4
217.15883	2.2
219.17471	2.2
223.16872	2.7
229.60043	2.2
231.20956	1.7
247.16914	1.5
247.41338	1.9
249.18503	13.6
295.24121	3.2
313.25119	9.3
331.26028	2.2
347.80167	1.4
391.33502	5.0
406.06812	1.6
409.34564	46.8
410.35132	2.4
427.35541	9.9
437.34027	20.3
455.35135	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	473.3619
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
51.84039	1.5
52.11266	1.6
55.05496	6.5
55.96937	1.7
57.07054	3.6
67.05480	9.9
69.07064	11.3
69.64203	14.0
78.17528	1.5
79.05486	5.6
81.07047	23.9
83.04968	1.7
83.08631	9.1
85.06555	1.6
91.05479	8.7
93.07045	19.7
95.04929	1.8
95.08594	51.5
97.10191	3.5
105.07007	24.2
107.08582	37.9
109.10145	26.0
111.11732	3.0
117.06961	2.7
119.08570	31.6
121.09306	2.9
121.10126	36.9
123.08072	2.4
123.11673	8.5
131.08546	6.6
133.10114	36.7
135.11668	18.4
136.78564	1.7
137.13362	2.4
145.10110	17.5
147.11671	26.7
149.13240	21.2
153.09065	3.3
157.10123	2.4
159.11690	14.8
161.13232	18.6
163.11156	8.6
163.14821	20.6
171.11650	4.6
173.13257	6.5
175.14818	21.0
177.16362	27.4
179.14290	6.2
187.14781	17.9
189.16357	69.0
189.18086	3.6
191.17934	10.8
201.16377	15.6
203.17928	96.1
205.15849	52.3
205.19496	7.9
207.17407	27.6
213.16286	2.0
215.17932	6.4
217.19510	2.4
219.17491	4.0
221.15508	1.8
223.16919	5.1
226.44063	1.9
227.17900	1.9
229.19469	2.8
231.17476	2.2
235.16887	3.4
245.22324	2.1
249.18539	12.8
391.33469	7.6
393.35016	1.9
409.34604	100.0
410.34921	4.3
411.36212	2.6
427.35706	10.1
437.34158	20.7
455.35074	7.3
473.35477	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	473.362
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.01237	0.4
53.03924	0.7
55.05500	2.8
55.39138	0.3
57.07063	0.4
65.03932	0.4
67.05495	4.1
69.03397	0.4
69.07056	3.8
69.91322	2.1
79.05484	3.8
81.03400	1.5
81.07043	8.1
83.04982	1.0
83.08599	2.1
85.06511	0.8
86.09681	0.6
91.05479	3.3
93.07028	8.6
95.04961	1.4
95.08595	13.8
97.02860	0.4
97.06520	1.1
97.10149	1.4
99.29434	0.4
102.09164	0.5
105.07015	7.8
107.04935	0.5
107.08577	12.7
109.06495	1.3
109.10142	7.9
111.08089	0.9
117.06999	2.2
119.08559	10.6
121.06422	0.5
121.10123	10.2
122.10348	0.4
123.08059	2.1
123.11722	2.6
125.09532	0.5
129.07033	1.1
131.08540	5.1
133.10112	7.9
135.08049	1.4
135.11670	9.9
137.09618	1.1
137.13257	0.8
143.08543	1.8
145.10103	6.5
147.11667	10.8
149.09613	1.0
149.13225	6.0
151.11148	0.7
157.10094	1.6
159.11635	4.6
161.09534	0.6
161.13246	5.0
163.11200	0.5
163.14790	5.9
165.12758	0.8
169.10097	0.4
171.11697	1.9
173.13210	3.5
175.14806	3.2
177.16359	4.5
183.11728	0.7
184.07234	0.7
185.13203	1.6
187.14804	7.2
189.12704	0.8
189.16354	12.9
190.16672	0.5
191.14349	1.0
191.17932	1.6
193.12225	0.6
199.14815	1.4
200.20087	1.3
201.16348	4.1
203.14258	0.7
203.17987	1.7
205.15857	25.2
206.16232	0.4
207.17404	14.7
213.16350	1.4
215.17894	3.4
217.15817	0.4
217.19443	0.5
219.17455	2.1
227.17905	0.7
228.18790	0.4
229.19492	1.5
241.19458	1.1
253.19533	0.4
255.21043	2.4
256.26340	1.3
259.20581	0.5
269.22632	1.3
287.23566	0.6
291.23254	0.7
339.11227	0.4
391.33578	1.1
409.34799	4.0
427.35678	100.0
428.35947	2.5
437.34677	0.6
455.36020	3.0
473.28674	1.6
473.35693	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3623
Annotation	Aceriphyllic acid A
Peak:m/z	Relative Intensity
51.97868	1.7
53.03929	4.9
53.11573	1.6
55.01865	2.1
55.05502	22.1
57.07063	5.3
65.03921	2.7
67.05157	2.9
67.05498	34.5
69.07064	19.4
71.63068	3.3
79.05048	3.4
79.05483	34.4
81.03414	30.3
81.07047	51.0
83.04960	8.5
83.08614	26.6
85.06474	1.8
88.79838	2.0
91.05468	32.2
93.07033	52.5
95.04950	12.2
95.08598	93.2
97.06505	6.8
97.10155	8.2
99.08056	2.3
105.07024	48.6
107.04926	3.5
107.08585	67.3
109.06517	4.7
109.09444	3.7
109.10145	50.4
111.08044	6.7
111.11646	2.4
117.06992	8.1
119.08568	99.2
119.14400	1.8
121.10131	64.6
123.08073	5.1
123.11690	20.1
125.09612	3.1
129.06963	7.8
131.08545	21.2
133.09108	2.6
133.10110	53.2
135.08076	11.1
135.11673	40.9
137.09595	3.8
137.13226	8.1
143.08516	6.9
145.09009	4.2
145.10104	43.3
147.11671	45.2
149.09625	3.6
149.13223	29.2
151.07510	3.2
151.11075	2.3
153.09030	2.7
153.80885	2.0
157.10106	7.6
159.11682	32.2
161.09605	3.6
161.13246	36.1
163.07552	11.0
163.11143	5.9
163.14798	31.9
163.21861	2.0
165.09109	4.7
165.12701	3.0
167.10579	3.0
171.11650	9.8
172.12408	3.3
173.09535	2.9
173.13228	22.2
175.11174	6.4
175.14807	23.0
177.12741	3.9
177.16374	21.0
179.14279	5.6
183.11800	2.4
185.13225	6.1
187.14803	48.4
189.12724	5.2
189.14737	3.6
189.16365	52.6
190.16711	3.2
191.14299	4.6
191.17921	81.9
193.12247	11.8
193.15953	2.5
199.14772	7.6
201.16367	27.2
203.14197	2.7
203.17943	56.0
205.15874	19.3
205.19496	10.1
207.13823	9.7
207.17395	15.9
213.16408	6.1
215.14328	4.9
215.17914	7.4
217.19476	15.7
219.13792	2.5
219.17401	14.9
221.18953	4.6
227.17915	4.8
229.15886	4.4
229.19429	7.3
231.17540	2.9
231.21048	4.4
233.15343	8.5
233.64610	2.0
235.16888	2.4
241.19516	2.7
247.16847	18.0
249.18477	7.2
251.16412	2.7
265.17990	11.5
269.22754	3.1
275.19989	3.3
377.33627	2.1
391.33765	13.1
409.34607	100.0
427.30872	2.4
427.35791	29.3
437.34421	18.5
455.35400	46.7
473.28851	30.1
473.36121	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59183	3.4
53.03927	6.9
54.12936	3.7
55.01855	5.6
55.05494	24.0
57.03425	3.7
57.07045	4.6
63.77767	3.4
65.03901	3.4
67.05492	43.2
69.03397	6.2
69.07052	26.8
69.46376	3.6
69.65363	3.0
70.06906	3.1
71.03446	9.1
71.04976	4.3
79.05477	39.6
81.03392	5.0
81.07045	58.5
83.04943	8.2
83.08621	17.6
83.52084	3.4
85.06515	6.7
91.04949	4.7
91.05463	41.2
93.07024	57.2
95.04947	9.9
95.08591	100.0
96.08956	5.0
97.06496	11.5
97.10155	10.3
105.07015	58.7
107.04944	6.1
107.08582	73.6
109.06523	11.7
109.10143	51.1
111.08039	10.8
117.07003	11.6
119.07774	6.6
119.08559	75.7
121.06481	7.2
121.10130	72.3
123.08041	11.3
123.11702	16.3
125.09589	8.7
129.06984	10.9
130.93813	4.0
131.08563	35.6
133.10092	53.6
135.08017	11.2
135.11661	29.2
137.05925	6.0
137.09596	12.5
137.13245	6.3
141.09145	4.7
143.08527	15.3
144.09375	3.7
145.10115	45.5
147.11655	42.2
149.09560	11.7
149.13228	29.3
151.07545	5.0
151.11156	7.2
153.09105	5.7
156.09314	5.4
157.10101	23.6
158.10878	3.7
159.08020	7.8
159.11655	35.1
161.09602	4.8
161.13188	24.0
163.11287	4.3
163.14824	25.5
169.10107	8.5
170.10750	5.1
171.11703	16.9
173.13251	31.4
175.11223	8.6
175.14827	28.1
177.08881	3.5
177.12801	18.4
177.16360	32.4
179.14227	4.5
179.52510	3.3
181.10146	4.5
183.11639	10.2
185.13254	12.8
187.11205	4.1
187.14799	46.6
189.08957	4.0
189.12776	8.7
189.16350	49.2
191.14273	11.6
191.17912	32.7
193.12224	6.5
195.11771	5.0
197.13243	6.0
199.14789	9.8
200.15112	3.9
201.12698	24.4
201.16354	30.8
203.14265	9.6
203.17937	27.7
205.12267	4.6
205.15860	6.1
207.13751	10.8
207.17419	6.5
213.16370	8.9
215.14226	6.1
215.17911	7.2
217.15871	5.9
217.19420	4.1
219.13780	12.7
219.17311	3.8
221.15196	7.6
225.16434	5.9
225.18558	3.5
227.17856	4.5
229.19347	6.2
231.17493	5.3
233.15306	7.2
235.16936	15.1
237.14746	8.5
247.16924	10.9
249.18474	41.6
267.19473	11.6
269.18893	4.6
295.20657	3.8
331.43350	3.6
367.30219	3.7
379.29910	5.3
391.29709	11.4
409.30380	25.7
409.35492	5.8
425.30411	4.5
427.31830	71.6
437.29443	8.8
437.34116	14.6
455.31000	15.8
455.35831	6.2
473.28122	5.0
473.32718	25.0
477.87064	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	473.3257
Annotation	Camphoratin B
Peak:m/z	Relative Intensity
53.03923	9.2
55.01864	4.6
55.05503	26.7
59.06110	7.4
62.42723	2.8
65.03928	6.5
67.05492	56.7
69.03396	6.9
69.07055	27.5
71.04976	7.5
73.06534	4.2
77.03890	3.0
79.05479	78.5
81.03400	15.1
81.07042	85.2
83.04965	37.2
83.08578	17.0
85.06519	8.5
91.05468	83.4
93.06459	5.1
93.07027	83.8
95.04946	26.1
95.08591	72.5
96.08928	3.7
97.02884	3.3
97.06507	15.6
97.10151	5.7
99.08077	3.6
101.05966	3.2
105.07014	100.0
107.04908	14.6
107.08575	64.8
109.06484	13.0
109.10143	37.5
111.08076	14.7
113.14126	2.9
115.05366	4.7
116.06151	3.1
116.68061	2.8
117.06978	16.9
118.73088	2.4
119.08565	82.4
121.06448	9.6
121.10117	43.5
122.10469	3.0
123.08033	12.8
123.11678	13.9
125.09570	5.8
127.07537	26.0
128.06175	4.0
129.06970	29.9
129.09073	6.5
131.08556	44.5
132.08847	3.5
133.10112	72.3
133.82214	3.1
134.06732	2.6
135.08015	8.6
135.11659	25.5
137.09586	7.8
137.13235	3.3
141.06950	3.3
142.07755	6.7
143.08549	19.9
144.09235	4.7
145.10104	62.5
146.10414	4.2
147.07980	7.0
147.11671	67.0
149.05942	3.5
149.09601	14.6
149.13240	18.5
150.13690	3.0
151.07574	3.2
151.11143	4.3
155.08524	8.5
156.09280	6.6
157.10072	34.8
159.08038	5.4
159.11676	46.9
160.11996	5.8
161.09605	8.0
161.13234	39.9
163.11154	12.1
163.14789	13.1
165.09024	5.2
165.12790	2.9
167.00473	3.3
169.10095	11.8
171.11646	37.1
173.09627	4.7
173.13269	34.3
175.11220	15.6
175.14828	24.7
177.12733	4.5
177.16351	13.0
179.10742	3.4
179.14363	5.3
181.10179	3.8
183.11702	8.6
185.13208	15.0
187.11191	3.6
187.14761	39.2
188.15138	4.6
189.12675	13.3
189.16423	18.7
191.14270	11.9
191.17982	5.2
193.12225	13.1
195.11670	3.5
197.13220	9.8
199.14732	16.6
201.12698	11.9
201.16344	16.7
203.14252	10.4
203.17851	8.7
205.12201	7.1
205.15755	6.1
207.13766	23.0
211.13145	4.1
213.12744	3.8
213.16393	5.4
215.14194	3.2
215.17960	5.7
217.12170	3.0
217.15839	9.6
219.13860	6.3
219.17372	4.0
221.15213	3.8
223.16814	3.0
225.16495	4.7
227.17899	8.7
229.15900	4.5
231.13776	3.7
231.17316	3.5
233.15282	6.6
233.19157	3.0
235.16914	8.5
237.14697	4.0
245.15425	4.7
267.21085	3.9
281.17374	10.8
281.22437	3.3
283.16876	5.7
391.29959	12.9
409.30600	30.1
411.32578	3.3
413.26563	4.3
419.29285	8.2
425.30215	4.8
427.31799	24.0
433.65833	3.1
437.30008	20.3
455.31073	21.2
473.28760	35.9
473.33368	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	473.289
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
50.01581	0.9
51.02367	1.3
52.69974	0.7
53.03938	6.2
55.01871	3.5
55.05259	1.1
55.05503	16.5
57.03418	2.9
57.07042	0.9
59.04990	0.9
60.28795	0.6
65.03924	3.1
65.49147	0.8
67.05494	46.6
69.03411	2.6
69.07064	9.8
70.68111	2.3
71.04975	3.0
73.06546	0.8
77.03925	0.7
79.05482	56.0
81.03407	84.1
81.07046	34.8
83.04967	12.4
83.08131	1.1
83.08609	18.5
85.06512	2.5
87.04441	0.6
91.05466	53.3
93.07031	43.1
95.04956	33.5
95.08595	20.0
97.02879	2.1
97.06519	3.7
97.10162	5.1
99.08097	1.6
103.05432	1.5
105.04500	1.7
105.07015	37.4
106.07351	0.9
107.04938	9.8
107.08579	14.6
109.06509	6.5
109.10143	5.2
111.04427	2.2
111.08056	7.3
115.05437	2.8
117.06997	7.6
119.04898	1.7
119.08567	26.6
121.06479	3.8
121.10130	6.8
123.08064	4.9
123.11674	1.0
125.09636	1.7
127.07508	1.9
128.06201	2.9
129.06987	18.3
131.08556	12.2
133.06474	4.4
133.10127	10.8
135.08040	1.5
135.11681	2.1
137.09607	1.8
141.06975	1.5
141.09071	0.7
142.07742	2.9
143.08574	7.0
145.06544	1.5
145.10091	8.9
147.08023	5.6
147.11665	29.8
149.09550	3.5
155.08517	1.5
156.09380	0.8
157.06439	1.4
157.10106	9.9
159.08005	1.1
159.11659	1.6
161.09598	4.0
161.13245	8.0
163.11182	1.5
165.12735	1.0
169.10059	1.5
171.08029	1.3
171.11659	18.0
173.09489	0.7
173.13258	0.8
175.11160	8.4
175.14905	0.9
177.12648	0.7
179.14293	0.7
183.11630	1.0
185.09637	0.7
185.13264	0.8
187.14821	1.1
189.12714	9.1
189.16286	0.8
193.12218	26.0
199.15016	0.7
201.16426	0.7
205.12114	0.9
207.13776	22.5
211.15005	1.0
225.14877	2.6
229.15817	1.2
249.14844	5.0
267.15799	1.1
281.17282	1.6
345.22617	0.8
363.23166	1.6
381.24179	2.9
398.50925	0.7
399.25281	3.0
455.27417	3.4
473.28909	100.0
474.29422	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	473.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	1.3
61.02901	1.4
69.03413	4.7
70.06558	1.3
71.61562	2.0
73.02878	1.3
73.24966	0.8
85.02888	8.4
85.91789	0.9
97.02849	3.9
99.89600	1.0
101.00845	2.2
109.02850	2.1
119.01899	8.1
121.01598	2.3
121.02821	2.1
121.06576	1.2
124.07573	1.0
124.90516	1.0
127.02377	1.2
127.03931	4.7
131.01889	2.1
133.03372	3.0
133.21851	1.0
143.01846	4.1
145.03465	5.4
145.04889	3.3
147.04335	0.9
149.99518	1.0
153.53293	1.4
155.01833	2.0
157.03462	6.5
157.04504	1.2
161.02921	5.4
163.04301	1.2
169.03532	1.2
171.01466	1.1
173.02934	6.7
175.02615	0.8
175.04529	6.2
177.97958	1.0
183.04959	1.7
185.02843	2.0
187.04399	2.2
189.02338	1.5
197.02864	1.8
203.03951	6.5
205.05557	2.1
210.52959	1.8
215.04044	1.6
217.05547	1.3
221.04909	2.5
223.06561	7.4
224.97041	1.0
225.06267	1.2
227.03804	1.5
233.05025	1.4
241.07513	3.6
245.04970	8.0
261.06461	1.0
263.05957	3.1
265.07547	3.2
273.07956	4.1
277.07782	1.0
302.08191	1.0
307.08496	2.1
309.06427	1.3
317.07159	11.1
321.06485	1.1
321.10034	1.2
338.81055	1.0
339.09488	2.4
367.10486	1.7
404.30325	1.2
455.07065	1.0
455.12354	9.4
464.10129	1.0
465.58093	1.2
473.10196	100.0
474.10953	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01855	2.1
55.05506	0.7
57.03428	4.3
59.05001	0.6
61.02917	8.0
67.05484	1.7
69.03418	15.8
69.07069	1.0
71.05000	2.7
71.62058	0.7
73.02913	4.2
76.52344	0.4
77.90480	0.5
79.05484	0.9
81.03401	7.1
81.07054	2.7
83.01337	0.7
83.04974	1.5
83.08572	0.5
85.02892	100.0
85.06532	0.6
86.03219	0.5
87.04459	2.1
90.60503	0.5
91.03942	5.4
91.05475	1.9
93.07033	2.1
94.07342	0.6
95.04957	1.4
95.08602	1.9
96.08943	0.5
97.02876	26.0
97.06541	0.6
99.04429	3.9
99.08048	0.6
101.02343	0.6
103.03911	0.9
105.03365	0.6
105.07011	1.9
107.08585	1.3
108.08898	0.7
109.02859	8.8
109.06567	0.6
109.10166	2.6
110.10490	0.9
111.04414	0.4
111.08078	0.6
115.03922	0.9
117.06986	0.7
119.04967	0.9
119.08575	2.4
121.02871	1.3
121.10124	1.3
123.04458	0.7
123.08047	0.6
127.03903	34.4
128.04233	3.6
131.08525	1.0
133.10121	0.8
135.08025	0.7
135.11696	0.6
137.09547	2.7
138.09973	1.3
145.04938	56.6
145.10083	1.5
146.10469	0.5
147.04387	3.3
147.11745	0.8
148.04726	0.6
149.09610	0.7
151.11191	0.5
152.20132	0.5
159.11649	1.0
163.05988	23.5
165.09134	2.4
166.09492	1.4
171.11694	0.7
173.13246	0.6
177.05470	2.4
180.08788	0.6
181.06979	0.7
189.12819	0.6
207.13753	1.2
275.20047	0.7
293.19623	1.4
299.65027	0.5
325.11252	1.2
455.17798	0.6
472.25775	0.7
472.31628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01861	1.8
57.03428	4.6
57.07071	0.8
61.02919	8.9
69.03419	15.6
69.46870	1.3
69.47296	1.0
71.01348	0.5
71.04974	1.7
71.08620	1.0
73.02910	3.6
79.78732	0.2
81.03406	6.5
83.01320	0.5
85.02892	100.0
86.03226	0.7
87.04469	1.9
91.03940	5.3
94.18787	0.2
97.02878	25.4
98.03218	0.3
98.21482	0.3
99.04441	4.2
101.02350	0.7
103.03931	0.7
109.02113	0.5
109.02861	8.3
111.11700	0.7
115.03925	1.1
117.05463	0.5
121.02899	0.3
127.03902	27.0
145.04938	56.8
146.05286	0.5
149.02274	0.3
158.88576	0.2
163.05994	31.3
164.06367	0.5
177.05510	0.3
178.45532	0.2
180.08614	0.4
181.06989	0.3
204.08640	0.6
204.44176	0.3
233.18213	0.3
240.79492	0.2
289.09070	0.4
293.19501	3.5
325.11163	1.5
409.53561	0.2
439.21640	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
53.87849	0.7
55.01856	1.8
55.05497	1.9
57.03424	6.3
59.04985	0.8
61.02916	8.2
67.05494	5.4
69.03416	16.7
69.07047	2.2
69.53718	3.1
69.54147	3.2
70.04071	0.8
70.06570	1.7
70.20592	0.8
70.91985	0.7
71.04987	3.5
71.08640	0.8
73.02901	3.2
79.05473	1.9
81.03403	12.5
81.07043	5.1
82.03774	0.7
82.55585	0.8
83.04952	1.6
85.02888	100.0
85.06530	1.2
87.04443	2.3
91.03938	4.8
91.05491	2.3
93.07044	3.8
95.04953	1.9
95.08565	4.9
97.02872	25.5
97.06516	2.0
97.10167	1.1
98.98466	0.9
99.04425	5.0
101.02368	1.0
101.24719	0.8
105.03343	0.9
105.07007	3.7
107.04913	1.0
107.08553	3.4
109.02857	12.2
109.06500	1.7
109.10136	11.1
110.10465	0.8
111.04437	1.3
111.78696	0.9
115.03888	1.0
119.04916	1.6
119.08564	3.1
120.08965	0.8
121.02843	2.4
121.06474	1.8
121.10126	2.4
123.04379	2.2
123.08012	1.0
123.11737	1.2
125.01498	0.9
125.05968	1.3
125.09586	1.1
127.03896	30.3
131.08559	2.2
133.10124	2.9
135.08029	1.4
137.05949	0.9
137.09592	24.6
138.09955	2.0
139.03893	1.9
145.04929	53.3
145.10101	2.0
146.10544	0.8
147.04404	6.4
147.08029	1.4
147.11700	1.4
148.04712	1.8
149.09598	1.1
155.10634	2.7
159.11641	1.3
161.09612	1.2
163.03885	1.6
163.05986	23.1
163.07375	1.4
164.06190	0.7
165.05463	1.1
165.09090	19.1
166.09448	1.5
171.11632	0.8
173.13200	0.7
175.11131	0.8
175.14957	0.8
177.05421	3.6
178.05836	1.0
188.08502	0.8
189.12711	3.2
191.42891	0.8
201.11230	2.7
204.08704	1.1
233.15350	0.9
246.06294	0.7
253.08560	0.9
259.09595	0.8
291.08688	0.9
291.12253	1.5
293.19489	2.0
309.13351	9.7
310.13104	1.2
310.23618	1.0
325.11035	0.8
327.14386	2.9
402.13144	1.7
408.29922	0.9
472.18674	1.4
472.31281	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.9
55.01867	4.9
55.05498	25.9
57.03429	5.0
57.07063	7.7
59.04972	3.0
65.03948	3.0
67.05492	40.2
69.03423	17.1
69.07056	32.5
71.04974	8.8
71.06552	6.0
79.05486	32.9
81.03401	24.1
81.07045	74.5
83.04958	11.9
83.08600	16.2
85.02883	11.9
85.06523	9.0
91.05466	29.6
93.07030	58.1
95.01294	2.8
95.04963	15.6
95.08593	100.0
95.31970	2.7
97.02863	5.8
97.06480	13.5
97.10138	10.9
99.04458	6.4
99.08061	5.9
105.07014	69.7
107.08572	97.3
109.02863	8.7
109.06472	11.8
109.10135	81.2
110.10471	3.4
111.04462	3.2
111.08049	10.8
116.06186	2.6
117.03400	3.5
117.06997	12.1
119.08556	81.7
121.02808	6.3
121.06480	9.0
121.10119	60.9
123.04432	2.7
123.08053	15.1
123.11684	24.4
125.05975	5.1
125.09619	26.2
127.03906	11.0
127.07549	4.2
128.06229	4.5
129.07002	8.2
131.04852	2.9
131.08536	41.8
133.10101	69.4
135.08003	10.6
135.11656	26.7
137.05959	4.3
137.09592	43.8
137.13242	5.1
139.07510	3.0
141.06993	3.2
142.07741	5.9
143.08533	15.8
145.02777	6.6
145.10103	74.0
147.04378	10.4
147.08015	8.2
147.11665	42.5
148.04742	3.7
149.05937	4.8
149.09595	10.8
149.13223	25.4
151.07526	9.6
151.11154	7.8
153.09052	4.4
153.12700	3.1
155.08453	4.8
155.10591	3.0
156.09322	6.4
157.10107	33.1
158.10831	3.6
159.08011	5.0
159.10432	4.0
159.11673	56.1
161.09579	10.7
161.13255	32.3
163.07504	3.0
163.11166	9.8
163.14803	18.3
165.09082	67.0
165.12787	3.6
166.09270	2.8
167.10631	3.2
168.09218	2.7
169.10107	7.9
171.11658	15.8
173.09586	3.8
173.13234	47.6
175.11136	9.2
175.14792	36.0
177.05435	14.9
177.09061	5.5
177.12701	6.8
177.16386	25.4
178.16769	3.3
179.10695	4.8
181.10037	3.6
183.10121	3.9
183.11661	8.6
185.13203	17.7
187.11174	7.1
187.14792	57.0
188.15063	3.4
189.09065	3.7
189.12709	8.8
189.16339	36.0
190.13347	2.6
191.10695	5.3
191.14272	48.5
191.17789	13.3
193.12241	3.5
193.15833	6.3
195.11639	3.2
197.13260	4.5
199.14796	25.2
201.12666	8.7
201.16328	46.5
203.10567	2.9
203.14294	20.7
203.17934	45.5
205.12210	5.7
205.15848	54.8
205.19362	5.9
207.13756	3.8
211.14825	7.0
213.12755	5.2
213.16319	26.5
215.10770	3.3
215.14320	6.2
215.17868	19.3
217.15895	9.7
217.19415	3.0
219.17445	21.0
221.15250	12.9
223.14825	3.7
223.16931	7.0
225.16318	5.7
227.17960	3.2
229.15794	6.9
229.19421	4.1
231.17418	7.7
233.15337	3.7
235.16919	9.6
239.10619	3.2
239.17920	4.1
241.19441	4.4
247.16988	15.8
249.18509	9.3
261.18515	7.9
265.19421	3.2
267.21005	4.3
281.22461	3.4
283.20322	3.6
283.24115	3.4
291.19470	3.3
309.28000	5.4
311.23691	3.5
327.23163	4.4
377.32101	2.9
389.31854	10.5
395.33032	8.7
407.33163	39.4
417.27426	4.7
423.32785	15.0
423.37564	4.2
425.34201	17.6
435.33026	22.5
441.33588	4.6
453.17752	4.2
453.33459	32.8
471.19305	4.1
471.24884	3.8
471.30206	26.4
471.34933	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	471.3464
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03938	3.6
55.01867	3.9
55.05512	16.5
57.03412	3.9
57.07061	12.3
59.04979	5.5
61.02908	11.1
65.37036	3.3
67.05492	39.5
69.03426	3.6
69.07056	27.1
71.04990	4.4
72.93783	5.6
75.53951	3.8
79.05491	23.8
81.03404	5.9
81.07043	69.4
83.04942	7.5
83.08605	14.7
85.02882	14.8
90.94820	5.4
91.03936	8.3
91.05468	33.9
93.07024	53.5
95.04965	7.6
95.08588	99.9
97.02894	9.6
97.06493	5.5
97.10143	5.6
99.04443	4.3
105.07011	69.1
107.08575	77.6
109.06510	8.9
109.10146	48.7
111.08032	6.0
117.07002	12.6
119.08562	100.0
120.08934	4.2
121.06501	6.8
121.10117	58.9
121.10914	6.0
123.04383	3.8
123.08015	6.8
123.11681	20.4
125.09568	4.7
127.03890	3.2
127.11195	8.6
128.63141	3.0
129.05383	3.3
129.06985	8.0
131.08536	32.5
133.10114	75.1
135.07968	3.5
135.11671	39.6
137.09544	3.4
137.13214	7.9
143.08511	16.2
144.09296	4.3
145.10100	59.8
147.08054	6.2
147.11668	47.0
149.09624	5.2
149.13245	37.4
153.09065	4.6
155.08551	6.3
157.10109	19.6
158.10808	4.3
159.11687	49.6
161.09654	4.8
161.13225	31.4
163.07584	4.6
163.11102	7.1
163.14787	39.8
165.09096	3.8
165.12753	4.4
169.10162	9.4
171.11617	17.2
172.12392	4.0
173.13216	31.9
175.11182	3.7
175.14816	52.0
177.09064	4.3
177.12729	6.2
177.16344	18.8
179.14287	4.9
183.11674	5.9
185.13243	16.4
186.96852	7.1
187.14799	58.5
189.16357	67.7
191.14159	4.0
191.17926	10.0
197.13298	8.0
199.14821	16.5
201.16365	42.7
203.14265	6.4
203.17953	27.6
205.15796	9.8
207.17490	4.1
213.16336	13.3
215.14371	3.9
215.17876	22.6
217.15904	8.8
217.19484	5.5
219.17448	4.1
221.15367	6.8
225.16386	3.9
227.17926	11.7
229.15891	6.0
229.19507	11.8
229.54485	3.4
233.15384	7.0
235.16966	8.1
239.17918	5.2
241.19455	6.8
247.16823	19.2
253.19493	5.7
261.18469	30.8
261.21033	4.8
265.05240	4.8
267.20999	8.0
273.18567	6.1
283.06262	19.2
299.05692	8.3
300.06000	4.4
306.07874	4.5
327.23132	11.6
333.15091	13.4
334.15475	5.0
334.27164	3.7
335.25888	5.6
377.31906	9.7
389.31976	12.7
407.33105	36.9
423.32535	60.8
424.32822	5.0
425.34491	26.2
435.32742	33.4
441.33618	11.0
453.29019	3.1
453.33679	36.5
471.34842	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05493	14.3
57.07072	4.6
65.79694	3.2
66.67696	3.5
67.05494	25.3
69.03422	7.8
69.07050	23.6
69.90947	22.6
78.30168	3.9
79.05475	22.3
81.07049	58.8
83.08602	15.2
91.05467	28.4
91.24563	3.6
93.07029	49.4
95.04993	4.0
95.08595	100.0
97.06527	10.9
97.10134	4.1
98.98436	4.4
99.08101	3.9
105.07017	66.9
107.08580	82.9
109.06497	7.5
109.10146	44.7
111.08070	9.6
117.06998	12.0
117.49329	3.5
119.08570	99.7
121.06455	4.4
121.10130	58.9
123.08028	8.6
123.11723	29.0
125.09612	8.4
127.69167	3.8
129.06949	7.0
130.54050	3.2
131.08568	30.2
133.10120	81.3
135.11665	36.6
137.13312	5.9
142.07809	3.5
143.08568	15.0
145.10088	69.8
147.11676	41.5
149.09641	7.3
149.13260	25.7
151.11150	4.1
155.01074	4.9
155.08492	3.8
156.09348	4.7
157.10175	24.9
159.11662	69.2
161.09698	4.5
161.13234	38.2
163.07544	4.6
163.11156	6.6
163.14796	18.9
169.10135	6.3
171.11661	19.4
173.13231	36.5
175.11255	4.0
175.14828	36.3
177.09058	7.1
177.16367	22.9
181.10127	6.0
183.11789	5.9
185.13220	20.8
187.14792	61.2
189.12680	5.8
189.16357	34.7
191.14275	4.7
191.17928	14.2
193.15903	5.5
197.13255	7.1
199.14793	13.9
201.16360	85.6
203.17830	23.5
205.15884	17.2
211.14777	6.0
213.16324	15.1
215.17921	24.2
217.15918	9.4
217.19334	5.7
219.13905	4.3
219.17383	19.3
225.16408	4.7
227.17976	6.3
229.15849	7.8
229.19478	12.6
231.17439	5.0
233.15315	5.6
233.19125	5.6
235.16931	10.3
237.18565	5.7
239.17981	4.8
243.20953	3.9
247.16910	37.0
253.19475	4.3
261.18530	4.4
267.20877	4.4
269.22897	3.8
297.18628	4.0
311.23438	4.6
313.17838	4.8
387.29410	3.9
389.31903	14.1
407.33066	62.3
425.34207	45.6
435.32651	64.3
436.32071	4.7
453.33774	53.0
471.24896	6.4
471.34885	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	471.3464
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03925	2.2
55.05503	9.1
57.07056	3.4
58.61093	1.0
59.04979	1.6
67.05493	16.8
69.07062	15.5
69.41421	10.9
71.04974	2.8
78.28297	1.2
79.05469	9.3
81.07039	33.3
83.04961	5.6
83.08615	7.2
85.02879	2.3
85.06526	3.1
91.05457	13.2
93.07031	27.6
95.04945	4.1
95.08589	53.4
97.02877	1.1
97.06504	3.3
97.10153	4.4
98.20737	2.3
98.93604	1.1
99.08096	2.2
105.07008	34.5
107.08578	46.4
109.06499	4.2
109.09569	0.8
109.10137	34.9
111.08067	5.2
117.06990	3.1
119.08559	57.1
121.10124	31.1
123.08055	3.3
123.11681	16.3
127.11162	2.1
129.07045	2.0
131.08524	10.3
133.10103	34.9
135.08037	2.8
135.11662	30.3
137.09590	4.3
137.13211	3.2
141.06897	1.2
143.08568	5.8
144.09279	1.2
145.10089	15.7
147.08069	3.2
147.11659	32.7
149.09604	3.3
149.13243	15.2
151.07492	1.3
151.11169	2.7
153.09131	2.1
153.12744	2.2
155.08534	3.2
157.10072	7.8
159.11676	12.0
161.09627	2.3
161.13237	15.2
163.11118	1.8
163.14771	11.5
165.12805	2.1
169.10124	2.1
171.11653	6.7
173.09572	1.2
173.13248	11.0
175.11259	1.5
175.14795	29.6
177.12871	2.5
177.16339	10.2
183.11697	4.2
185.13280	6.2
187.11185	1.6
187.14790	14.5
188.95248	1.1
189.12749	2.1
189.16356	40.0
191.14296	5.6
191.17897	18.5
191.19530	1.4
193.12172	1.5
193.15866	3.3
197.13274	3.5
199.14795	6.6
201.16360	7.5
203.14224	8.0
203.17906	18.2
205.15849	15.9
205.19482	2.1
207.17427	13.5
209.13399	1.2
209.15311	1.8
209.19026	2.5
211.14783	2.0
213.13016	1.3
213.16338	5.8
215.14340	1.4
215.17871	6.6
217.15878	10.7
217.19467	7.4
219.17484	3.9
221.15309	2.9
221.19014	3.1
223.16850	1.5
225.16449	1.8
227.17998	2.8
229.19501	2.8
229.64023	1.1
231.17477	4.4
233.18954	3.1
235.16899	22.9
239.17972	1.8
241.19446	1.8
245.19040	2.7
249.14867	4.7
249.18445	1.8
253.19432	1.9
255.21136	1.7
257.18973	1.6
263.16458	6.6
263.19958	2.0
267.20993	1.5
271.20685	2.1
273.22089	3.0
275.19931	1.7
278.27176	1.3
285.22137	3.1
289.18167	1.6
293.22684	1.4
299.20111	1.5
301.21680	1.6
311.23666	1.4
319.22595	1.8
331.22675	3.6
332.09442	1.4
373.27548	1.5
389.32010	4.8
403.51544	1.6
407.32977	16.2
425.34070	26.5
435.32635	8.3
443.35129	8.7
453.33710	20.1
471.34677	100.0
472.35162	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3465
Annotation	Lantic acid
Peak:m/z	Relative Intensity
55.05492	6.8
56.45008	1.7
57.07056	2.2
59.43233	1.7
61.56909	1.6
67.05498	8.4
69.07058	12.0
71.04987	2.3
73.47961	1.5
79.05482	6.9
81.07045	17.7
83.04937	2.7
83.08600	6.0
85.06509	3.5
91.05469	7.2
93.07033	18.1
95.08602	27.3
97.06500	3.4
97.10135	3.8
99.08031	1.7
101.06026	2.1
105.07005	17.4
107.08577	26.1
109.06489	2.3
109.10154	21.6
117.06913	1.8
119.08569	22.6
121.06441	2.5
121.10141	21.7
123.11674	10.2
125.09621	2.5
127.07494	2.7
129.06920	2.2
131.08597	8.2
133.10109	21.2
135.08067	3.0
135.11676	18.4
137.13243	4.2
139.07539	1.7
143.08505	6.2
145.10117	14.2
147.07996	1.9
147.11639	15.2
149.09567	3.6
149.13222	7.4
151.11119	2.1
151.14946	2.0
153.09052	3.1
157.10092	7.6
159.11661	13.9
161.13173	8.5
163.11154	3.0
163.14804	9.0
163.15906	1.7
165.12762	1.9
167.10690	2.3
168.89291	1.7
171.11728	9.7
173.13254	12.2
175.14839	8.7
177.12650	1.8
177.16391	2.5
181.12157	3.8
183.11632	2.5
185.13223	7.5
187.14796	14.9
187.91393	2.1
189.16353	9.1
191.17964	3.0
199.14838	4.6
201.16420	10.7
203.17929	4.5
213.16321	4.8
215.17950	3.5
217.15880	2.3
219.17363	2.5
223.16879	3.2
227.17963	8.0
229.19527	7.7
233.19009	2.7
235.17047	3.3
237.18440	3.6
239.17880	2.2
241.19583	8.6
243.21005	3.0
247.16821	2.8
255.21143	8.9
261.18515	1.8
269.22577	2.3
275.20251	2.4
281.22662	1.9
313.61771	2.0
389.31976	2.7
407.33203	12.3
425.34128	100.0
426.34161	6.7
435.32565	7.0
453.33633	9.3
454.33862	2.4
471.34836	32.3
471.92325	1.9
472.34399	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	Lantic acid
Peak:m/z	Relative Intensity
53.03935	0.4
53.72583	0.3
55.05499	1.5
55.26151	0.3
57.07061	0.5
67.05505	2.2
69.07064	2.3
71.04993	0.4
71.06640	0.8
79.05478	1.2
81.07045	3.7
83.04969	1.7
83.08611	1.1
85.06504	0.4
91.05462	1.3
92.40638	0.3
93.07047	4.8
95.04946	1.1
95.08597	8.7
97.06512	0.8
97.10174	0.5
102.61168	0.3
105.07016	6.5
107.08582	7.4
109.06540	0.7
109.10153	4.7
111.08054	0.9
117.07052	0.5
119.08563	7.5
121.06488	0.7
121.10130	5.9
123.08021	0.8
123.11692	2.7
125.09660	0.6
129.06987	0.5
131.08565	2.2
133.06496	0.4
133.10115	5.7
135.08049	1.1
135.11687	5.4
137.09572	0.4
137.13245	1.1
143.08574	1.7
145.06465	0.6
145.10101	2.3
147.08102	0.7
147.11668	3.7
149.09602	1.5
149.13248	1.8
153.09108	0.7
153.61873	0.3
155.08542	1.0
157.10109	2.3
159.11676	2.3
161.09624	3.0
161.13242	2.6
163.07492	0.5
163.11180	0.7
163.14816	0.8
169.10114	0.9
171.11694	1.8
173.13251	3.8
175.11168	1.1
175.14803	5.4
177.12796	0.6
177.16400	1.2
179.14357	0.9
183.11676	2.0
185.13246	1.0
187.11147	0.7
187.14822	2.1
189.12912	0.7
189.16357	9.9
191.17926	1.6
197.13219	1.7
199.14819	2.5
201.12694	0.7
201.16400	1.0
207.17450	1.2
211.14842	0.9
213.16409	1.3
215.14346	1.1
215.17847	0.8
217.15884	4.6
227.17917	1.1
229.15909	0.6
229.19498	0.7
231.17546	0.8
235.16933	5.7
236.17245	0.3
241.19524	0.5
243.21121	0.7
253.19510	1.8
255.20801	0.4
257.18948	0.8
267.21054	0.9
271.20480	2.6
285.22070	0.7
316.70157	0.3
317.21088	0.9
351.56607	0.3
389.31970	0.5
407.33124	1.3
425.34100	6.7
435.32596	0.6
457.34491	0.4
471.34662	100.0
472.35046	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	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
53.03938	3.9
55.05489	11.1
57.07044	5.3
59.92795	2.6
60.30678	3.0
67.05487	14.6
68.25606	2.5
69.07055	17.6
69.56036	21.6
70.55877	2.5
78.84956	2.7
79.05473	15.0
81.07038	31.2
83.08604	12.4
85.06533	3.4
91.05465	17.1
93.07025	29.4
95.08590	53.8
97.06408	3.9
97.10142	3.3
103.99445	2.7
105.07005	37.9
107.08574	60.1
109.06499	3.9
109.10130	29.1
113.96344	2.5
117.07001	7.1
118.25028	2.5
119.08563	75.7
121.10110	44.8
121.10897	3.7
121.23726	3.1
122.10513	2.6
123.08019	3.5
123.11684	9.6
125.09587	2.9
131.08521	28.2
133.10100	52.6
133.36078	3.2
135.08029	5.4
135.11674	29.9
137.13214	4.7
143.08539	7.3
145.10097	45.9
147.11661	30.4
149.09573	3.7
149.13225	22.8
151.11171	3.6
157.10133	7.8
158.10846	3.4
159.11665	42.7
161.13243	31.1
163.11113	23.3
163.14804	27.2
171.11646	9.7
173.13235	28.3
175.11192	4.7
175.13443	4.9
175.14804	47.9
177.16357	35.0
179.14221	3.5
185.13245	10.1
187.14796	48.5
189.16338	68.1
191.14200	3.9
191.17937	19.1
199.14824	10.5
201.16354	100.0
201.18240	5.2
203.14285	9.4
203.16182	4.7
203.17909	39.1
205.15858	86.8
207.17413	25.7
212.46117	3.0
213.16388	6.1
215.17949	11.7
217.15913	11.9
219.13776	3.3
219.17421	7.8
221.15265	4.7
223.16852	16.0
227.17973	5.3
229.15868	3.1
229.19528	6.0
231.17528	5.9
233.18947	4.1
235.16896	11.7
241.19525	3.4
243.21201	3.5
247.16917	20.8
247.20398	3.2
261.18375	3.0
262.15527	4.1
269.21738	2.8
389.32040	6.0
407.28448	4.3
407.33163	50.3
409.34662	7.8
425.34134	52.7
426.34586	5.8
435.32687	24.9
453.33792	19.2
471.34988	46.6
486.55902	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	471.3459
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
55.05485	17.3
58.66769	4.4
67.05489	23.3
69.07059	20.0
71.04987	4.0
79.05467	21.0
81.06579	4.9
81.07044	62.4
81.09452	3.7
83.04945	3.6
83.08593	10.2
88.40617	3.6
91.05453	25.8
93.07025	40.8
95.04907	6.5
95.08583	92.2
97.06500	10.2
97.10145	5.7
104.22707	3.3
105.07008	63.7
107.08566	81.5
109.06485	9.4
109.10139	52.1
110.36106	3.9
111.08051	12.7
112.79471	3.7
117.06999	9.5
119.07784	6.8
119.08564	100.0
121.06493	5.0
121.10112	48.1
123.08054	9.1
123.11680	19.3
128.06282	5.6
129.06958	8.0
131.08539	46.5
133.10110	72.4
135.11655	26.9
137.13200	12.2
142.07729	7.4
143.08517	22.9
144.09393	5.5
145.10092	71.9
147.11639	58.0
149.09586	8.2
149.13220	22.4
153.09061	4.1
155.08481	4.2
156.09264	5.2
157.10115	34.9
159.11668	63.8
161.09567	7.2
161.13199	43.4
163.11064	4.5
163.14764	31.7
169.10091	4.5
170.10870	4.9
171.11627	25.6
173.13222	43.2
175.14807	43.6
177.12740	8.9
177.16350	45.4
181.12166	5.2
183.11661	6.6
184.12389	6.9
185.13188	16.7
187.14760	69.5
189.12689	5.2
189.14578	5.0
189.16319	98.8
191.14455	4.6
191.17950	30.1
193.15816	7.0
197.13211	6.6
199.14801	45.0
201.16353	63.6
203.14287	8.6
203.17923	65.0
205.15810	15.5
205.19432	4.7
207.17400	10.2
213.16270	28.3
215.17928	25.0
217.15846	39.6
217.19383	6.6
219.17384	22.0
221.15350	4.7
223.16895	7.0
225.16328	6.5
227.17909	6.6
229.15909	5.0
229.19452	8.3
231.17378	12.7
231.20996	4.4
235.16878	24.5
237.18581	4.6
241.19373	5.3
243.21146	4.8
247.16910	14.1
249.18407	15.6
253.19554	4.5
261.18484	12.5
271.20529	5.1
283.20474	3.8
291.15863	3.7
349.28748	5.1
377.31845	7.9
379.26242	4.1
389.31821	14.8
395.29330	17.0
407.33029	47.9
409.34763	4.2
423.32413	20.2
425.34122	35.6
427.35721	6.3
435.32449	54.6
441.33731	7.1
453.33612	75.3
471.34933	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3464
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05497	23.0
57.03405	3.5
57.07058	13.1
60.83967	3.0
65.03944	3.7
67.05501	28.5
69.07062	43.3
69.48610	30.8
71.04977	10.5
79.05470	19.1
81.07050	75.6
83.08613	16.7
91.05479	30.9
91.72197	3.4
93.07029	56.9
95.04965	4.3
95.08599	95.7
97.06516	8.0
97.10146	10.1
98.21458	4.8
99.08087	13.7
105.07019	87.4
107.08580	76.7
109.06476	4.3
109.10142	82.4
111.08066	6.6
113.09670	4.0
117.00655	3.6
117.06998	17.4
119.08566	80.0
121.06474	4.0
121.10131	71.5
123.08089	5.4
123.11701	36.9
125.09610	9.2
127.11177	38.5
129.07004	5.7
131.08560	57.8
133.10121	85.8
135.08057	4.2
135.11674	55.2
137.13223	14.6
142.07774	5.4
143.08551	31.1
144.09341	7.0
145.09007	6.2
145.10106	77.5
146.10512	3.9
147.08031	6.0
147.11668	66.0
149.09621	7.9
149.13243	25.1
155.08508	10.7
157.10120	38.6
158.10826	6.6
159.11667	78.0
161.09607	8.0
161.13245	53.5
163.11134	5.6
163.14815	21.0
169.10092	12.0
171.11687	25.2
172.12259	3.6
173.09604	5.9
173.13231	46.6
174.13855	3.0
175.11183	10.2
175.14833	34.1
177.09160	3.8
177.12717	5.7
177.16359	8.9
181.10019	3.5
183.11676	9.9
185.13251	24.5
187.14792	41.6
189.12703	10.1
189.16336	26.9
191.10643	3.8
191.14284	4.5
191.17918	10.8
195.11638	5.6
197.13292	10.6
199.14812	26.2
201.12785	3.9
201.16354	53.6
203.14262	9.5
203.17940	40.2
205.15881	15.1
205.19434	6.5
207.17387	5.6
209.11629	7.1
209.13434	4.7
211.14809	8.9
213.16315	9.2
215.14333	6.9
215.17966	18.3
217.15874	8.8
217.19461	7.4
219.13745	10.6
219.17404	8.9
221.19011	7.1
227.17807	4.0
229.15829	4.7
229.19521	8.0
231.13716	14.8
233.15355	10.9
233.18976	12.7
237.14812	3.9
241.19479	4.8
245.15422	9.2
247.16907	10.6
247.20586	6.5
249.14827	6.8
253.19408	5.4
257.15591	4.5
261.22119	3.5
262.48636	3.7
263.16293	5.4
343.22882	4.2
379.29767	4.3
389.32059	9.6
391.33630	4.3
407.33038	40.0
409.34558	8.2
422.61758	4.5
425.34186	47.5
435.32568	38.1
453.33588	100.0
454.34213	5.6
471.34863	53.9
491.95853	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	471.3462
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
53.03918	3.1
55.05505	22.8
55.19407	2.3
57.07058	8.4
59.04993	3.7
67.05482	32.8
68.99580	2.4
69.03409	5.4
69.07048	34.6
69.48634	7.6
69.49053	16.2
71.04971	13.7
71.08626	3.6
71.85320	2.1
79.05474	28.2
81.03382	4.5
81.07043	76.9
83.04948	3.3
83.08607	16.2
85.06531	3.0
91.05463	30.6
93.07024	65.4
95.04955	7.0
95.08588	99.4
97.02873	2.7
97.06504	12.0
97.10151	7.4
98.20715	4.6
99.08068	13.9
105.07005	98.3
106.07339	3.3
107.04933	5.2
107.08575	80.2
109.06525	6.7
109.10139	84.2
109.31928	2.3
110.63507	2.9
111.08085	4.3
111.11693	4.0
113.09614	4.5
115.05428	3.7
117.07025	18.5
119.08555	91.9
121.06487	7.6
121.10123	70.1
122.93166	2.5
123.08041	5.3
123.11681	36.3
125.09606	10.2
127.11166	43.0
128.06175	3.6
129.06941	13.2
131.08546	68.9
133.09087	4.4
133.10104	91.1
135.08063	5.3
135.11659	53.7
137.09625	4.0
137.13251	13.1
142.07780	7.2
143.08549	31.6
144.09320	6.6
145.10097	100.0
147.08049	4.2
147.11665	76.3
149.05928	4.3
149.09581	10.6
149.13216	26.4
151.11145	3.8
155.08545	8.5
156.09277	4.7
157.10117	37.0
158.10863	4.1
159.08008	4.8
159.11670	91.7
160.12216	2.8
161.09584	9.0
161.13228	61.3
163.07573	2.7
163.11183	10.1
163.14803	15.6
169.10120	11.6
170.10869	3.4
171.11638	29.8
173.09579	5.3
173.13228	51.1
175.11148	8.7
175.14777	38.5
177.09143	3.7
177.12711	6.1
177.16328	8.1
179.14343	4.5
181.10072	4.7
183.11638	13.8
185.09479	3.0
185.13222	33.7
187.11174	3.9
187.14790	60.7
189.12683	12.6
189.16333	33.1
191.10638	8.1
191.14296	11.8
191.17885	13.1
193.12201	3.9
195.11723	5.1
197.13237	12.0
199.11177	3.3
199.14799	27.6
201.12640	11.9
201.16345	64.6
203.14296	10.9
203.17929	38.7
205.12210	4.9
205.15866	12.4
205.19504	4.0
207.13829	5.2
207.17329	4.4
209.11629	6.8
209.13356	3.8
211.14815	7.0
213.12791	2.5
213.16362	12.1
215.10703	2.7
215.14287	5.8
215.17955	14.8
217.12186	8.8
217.15863	7.9
217.19460	7.5
219.13771	10.7
219.17380	4.7
221.15434	5.3
221.19032	9.2
223.14926	4.1
225.16321	8.2
227.14355	3.5
227.17903	6.3
229.15915	3.2
229.19502	9.5
231.13712	14.5
231.21191	3.7
233.15315	11.4
233.18976	9.4
235.20663	3.3
237.14725	7.7
239.17888	3.3
241.19542	4.0
243.21152	4.3
245.15382	10.6
247.16852	5.9
247.20512	5.2
249.14865	8.2
263.16394	7.5
275.16489	3.8
285.18295	3.3
297.22418	3.5
299.23773	3.3
325.21628	3.1
329.27945	3.2
355.26263	4.3
367.26306	4.2
385.27112	3.3
389.32013	6.8
397.34964	3.4
407.29245	10.1
407.33487	50.2
409.34589	12.0
417.31714	2.9
425.34647	48.0
435.32587	35.0
453.33673	95.5
454.33826	8.1
467.89832	2.6
471.35074	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3463
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.32882	3.6
53.03949	3.6
55.05503	19.8
57.07065	11.0
63.49748	3.8
67.05500	38.4
69.07052	35.7
69.67520	20.1
71.04977	14.6
79.05467	23.0
81.07043	78.5
83.08613	11.4
89.34280	3.8
91.05455	29.2
93.07029	56.8
95.04946	5.6
95.08595	100.0
97.06520	6.1
97.10160	10.2
98.21544	3.7
99.08075	11.1
105.07014	96.9
105.07670	7.0
107.08578	81.2
109.06528	5.7
109.10136	92.7
111.08106	3.9
113.09634	4.6
114.60660	3.4
116.37068	3.5
117.07027	18.8
119.08563	88.2
120.08897	4.8
121.06554	4.4
121.10134	69.2
123.11698	42.5
125.09617	7.9
127.11171	44.5
129.06979	10.2
131.08548	67.7
133.09103	5.6
133.10101	89.2
135.08070	5.7
135.11656	55.1
137.13214	10.8
143.08539	32.0
144.09329	6.7
145.10092	95.0
147.08058	4.2
147.11667	78.8
149.05923	5.3
149.09639	7.8
149.13235	26.1
155.08519	4.4
156.09291	5.7
157.10112	34.1
158.10806	6.6
159.11655	86.8
160.12196	5.1
161.09596	6.6
161.13258	73.9
163.11153	8.8
163.14824	16.1
165.12724	3.6
169.10130	12.4
171.11670	34.2
173.13220	44.4
175.11148	8.2
175.14801	30.3
177.12695	4.6
177.16364	8.9
179.10654	3.9
179.76306	4.2
183.11743	7.2
185.13211	28.3
187.11195	6.7
187.14827	49.0
189.12706	8.8
189.16333	21.5
191.10568	5.5
191.14281	7.0
191.17894	7.3
193.12286	4.6
193.19585	5.3
197.13235	8.6
199.14841	25.8
201.12688	8.5
201.16313	46.5
203.14297	11.7
203.17946	34.6
205.12125	5.7
205.15994	12.1
205.19484	4.2
207.13826	6.8
209.11597	6.5
211.14754	8.3
213.16357	7.3
215.14265	5.3
215.17943	16.4
217.12276	8.6
217.15988	6.9
217.19421	9.8
219.13771	11.8
221.19052	7.8
227.14230	5.1
227.17804	4.0
229.15799	4.0
229.19533	12.0
231.13708	14.1
233.15269	13.6
233.18849	9.3
243.20995	5.5
245.15446	11.1
247.16914	7.6
247.20532	11.8
249.14807	5.6
255.21147	4.7
259.77310	3.7
263.16309	5.0
281.22870	5.1
311.34976	4.0
367.46323	3.5
373.26947	4.5
389.31903	9.7
407.33041	46.9
409.34564	10.5
425.34064	51.0
435.32660	32.6
453.33554	81.5
454.33780	6.6
471.34692	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	471.3464
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
51.02379	1.8
53.03935	2.7
55.01852	2.1
55.05301	1.3
55.05504	15.0
56.36650	1.2
57.03433	1.6
57.07057	3.5
65.03907	3.2
67.05496	22.8
69.03403	3.2
69.07054	20.6
71.04976	2.4
71.08622	1.7
71.62746	1.5
77.03875	1.4
79.05480	24.3
81.03391	3.3
81.07043	55.4
82.07340	1.4
83.04953	5.2
83.08598	11.8
85.02880	2.0
85.06531	2.3
91.05455	31.5
93.07030	54.4
95.04928	6.7
95.08591	86.4
97.06496	6.5
97.10155	5.2
99.04417	1.7
99.08076	2.9
103.05411	1.4
105.07013	62.0
106.07298	1.4
107.04919	4.6
107.08578	97.1
108.08841	2.4
109.06511	8.2
109.10136	52.1
111.04356	1.7
111.08088	11.1
111.82598	1.2
115.05416	1.5
116.06259	1.3
117.06990	12.5
119.08564	100.0
120.08904	2.4
121.06508	6.1
121.10129	58.6
123.08047	8.0
123.11679	14.1
125.05929	1.6
125.09605	30.3
127.07558	3.5
128.06134	2.7
128.38417	1.2
129.06985	7.0
130.07765	1.7
131.07564	2.0
131.08549	37.4
133.10110	69.1
135.08015	5.6
135.11668	29.5
137.09561	4.9
137.13252	3.6
139.07518	2.2
139.11090	1.3
142.07762	3.2
143.08533	17.2
144.09305	4.3
145.05014	1.2
145.10095	67.7
146.10635	1.9
147.07996	2.7
147.11661	41.4
149.09645	6.7
149.13245	18.9
151.07478	4.3
151.11127	5.8
151.14771	1.5
153.09067	4.7
155.08499	4.5
155.10588	1.6
156.09248	1.9
157.10098	23.9
158.10852	3.6
159.08070	2.2
159.11670	58.8
159.13011	2.8
160.12163	2.0
161.09628	5.9
161.13232	36.6
163.07571	1.7
163.11153	7.6
163.13562	2.3
163.14809	28.6
165.09160	1.8
165.12753	1.9
167.08597	1.5
167.10674	2.2
169.10074	4.4
170.10881	3.2
171.11659	22.0
172.12335	2.1
173.09622	3.0
173.13232	41.1
173.14671	2.9
175.11342	2.2
175.14790	42.4
176.15150	3.1
177.09103	1.9
177.12686	4.7
177.16353	30.2
179.10640	2.5
179.14143	1.9
181.10100	2.3
183.11681	5.1
184.12437	3.0
185.13272	10.8
187.11180	3.0
187.14792	63.0
188.15164	2.7
189.12717	3.7
189.16357	57.7
189.18079	3.0
190.16595	1.7
191.10603	1.8
191.14282	10.5
191.17923	15.4
193.15903	6.8
195.11665	2.4
197.13184	5.5
198.13969	2.0
199.11104	1.9
199.14783	25.3
201.12672	3.6
201.16347	94.5
202.16692	2.9
203.14279	8.7
203.17918	40.3
205.15857	26.2
205.19455	4.2
207.13597	1.9
207.17447	5.7
209.13229	3.2
211.14790	4.4
213.12944	2.2
213.16339	37.4
215.14305	4.4
215.17908	29.3
217.12244	2.8
217.15857	8.5
217.19389	2.4
219.13945	1.9
219.17404	28.2
221.15302	5.0
223.14908	3.0
223.16954	5.4
225.16371	3.4
227.14403	1.5
227.17900	8.6
229.15910	2.5
229.19456	10.8
230.19632	1.3
231.17438	10.4
231.21126	1.9
233.15326	3.2
233.18918	4.6
235.16942	11.1
237.16316	1.4
239.17874	4.0
241.15723	2.1
241.19495	9.7
243.17461	3.4
243.21022	3.4
245.15367	2.4
245.18988	2.8
247.16875	17.9
249.18431	6.9
251.17964	2.1
253.19482	3.6
255.17555	1.5
255.21068	5.5
257.18896	1.9
257.22604	2.0
259.16977	3.0
259.20462	1.8
261.18509	10.5
265.19577	1.5
267.21027	5.7
269.19016	2.1
269.22556	4.3
275.20212	2.9
279.12186	2.7
279.20999	2.3
281.22522	3.1
283.20422	1.5
283.24030	3.5
287.20139	6.4
289.21649	1.8
293.22443	1.5
295.24261	1.5
299.20233	2.7
311.20035	1.6
311.23560	1.9
315.23105	1.4
327.23035	5.8
329.24731	2.5
339.22894	1.4
343.26254	2.2
351.26758	1.5
353.24475	1.8
355.26529	1.4
377.32138	3.1
389.28378	1.3
389.32095	14.5
395.33124	5.2
407.33148	48.1
409.34683	2.8
423.32495	11.6
425.34622	18.2
435.27591	2.1
435.32697	36.3
441.33835	2.1
443.35193	2.1
453.34064	35.0
454.33881	1.7
471.30609	9.7
471.34155	16.7
472.31180	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65520	2.9
53.03935	3.2
55.05508	26.9
56.96552	3.9
57.03438	3.4
57.07054	11.9
58.50649	3.6
61.02915	8.5
67.05163	3.4
67.05498	35.2
69.03418	13.9
69.07067	27.0
71.04984	4.4
71.63129	5.6
73.02885	3.3
79.05489	29.4
81.03397	12.2
81.07047	63.0
83.04953	7.4
83.08598	16.3
85.02887	31.0
85.06534	3.6
91.03949	3.7
91.05466	27.5
93.07034	53.5
94.07266	3.6
95.04952	13.9
95.08596	97.7
97.02895	4.8
97.06506	7.5
97.10156	6.6
105.07021	61.5
107.04945	6.0
107.08578	70.0
109.06503	9.8
109.10146	41.2
111.08071	8.9
117.07037	16.8
119.08566	69.7
121.06530	5.7
121.10131	84.4
123.08033	6.0
123.11670	19.1
125.09591	5.3
127.07558	8.8
128.06239	6.5
128.96307	3.9
129.07021	14.0
131.08553	48.0
133.10124	65.0
135.08000	4.8
135.11674	38.1
137.09598	6.8
137.13211	15.5
141.06979	5.4
142.07771	8.1
142.64339	3.3
143.08549	40.6
145.10106	67.9
147.08041	8.8
147.11662	51.9
149.09586	10.8
149.13202	18.5
151.07494	3.8
151.11143	8.7
155.08539	13.0
156.09352	6.1
157.10118	45.6
159.08040	3.5
159.11671	47.9
161.09633	14.5
161.13263	29.7
163.11147	12.2
163.14783	14.9
165.12720	3.4
167.10722	4.1
168.09319	5.0
169.10130	18.1
170.10867	3.9
171.11684	34.6
173.09659	7.0
173.13258	33.4
175.11163	8.3
175.14790	34.6
177.09123	4.5
177.12679	5.1
177.16351	12.3
179.14307	5.1
181.10153	6.5
183.11650	15.6
185.09561	3.5
185.13223	35.0
187.11203	9.8
187.14793	41.7
189.12764	11.4
189.16399	21.1
191.10695	4.1
191.14270	6.0
191.17947	7.8
193.12323	4.6
195.11690	6.7
197.13243	9.9
199.14819	28.2
201.12747	6.5
201.16360	22.8
203.10628	3.9
203.14291	19.6
203.17967	9.9
205.12148	5.0
205.15860	8.0
207.13766	7.4
207.17487	13.4
209.13310	4.9
211.14861	7.1
213.16266	8.5
215.10860	4.9
215.14262	7.2
215.17932	6.9
217.12280	7.2
217.15849	11.0
219.13756	7.5
219.17459	3.5
221.15327	10.5
223.14827	6.2
225.16357	9.0
229.15846	4.5
229.19481	3.5
231.13884	8.4
231.17429	3.5
233.15373	8.1
235.16879	5.2
239.17867	6.4
241.19394	4.5
243.13713	6.2
245.15309	8.2
247.16946	6.8
249.14922	5.5
249.18582	3.5
251.17911	3.6
253.19525	5.8
263.16513	6.9
283.06180	10.8
307.24252	10.1
325.25235	9.1
331.24026	5.0
333.15042	10.5
333.25565	3.5
336.47952	3.4
349.25461	5.5
353.24582	15.2
367.26022	6.9
371.25833	19.5
377.24823	4.4
389.27957	5.0
395.25806	3.8
404.83594	3.7
407.28647	24.1
407.33743	7.3
409.30746	3.7
413.26746	5.0
425.30154	21.8
425.34225	23.7
435.28220	7.8
435.33209	4.4
453.29550	17.2
453.33917	18.3
471.29932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.31
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
52.36788	2.5
53.03929	3.5
55.05493	15.7
57.07060	5.1
61.64153	2.2
65.03942	3.0
67.05491	23.5
69.03413	6.1
69.07056	15.4
70.88451	4.6
70.88819	5.6
71.04961	4.2
71.08636	2.6
71.77410	2.4
79.05483	33.5
81.03400	12.0
81.07043	41.6
81.07792	2.6
83.04974	5.6
83.08599	7.3
85.02860	2.8
85.06542	4.4
90.69263	2.4
91.05477	30.9
93.07023	46.6
95.04950	9.1
95.08587	55.9
97.06495	5.4
97.10163	4.7
99.04440	3.4
99.08035	2.8
105.07003	57.7
107.04927	15.5
107.08577	61.4
109.06526	7.0
109.10136	39.1
111.08052	7.6
113.09605	3.7
117.07004	11.1
119.08561	90.7
121.06510	6.7
121.10120	38.5
123.08080	7.4
123.11674	14.0
125.09614	3.6
127.11138	8.2
128.06223	3.5
129.07019	8.1
131.08542	51.1
133.10101	45.1
135.08040	9.0
135.11674	24.4
137.05963	5.8
137.09572	4.7
137.13223	4.2
138.72441	2.3
139.11188	4.4
141.07013	4.3
142.07777	4.4
143.08521	20.4
144.09344	3.1
145.06488	3.2
145.10106	67.6
147.08032	5.1
147.11656	32.3
149.09589	7.9
149.13240	18.0
151.07529	3.8
151.11192	2.7
152.53572	2.5
153.09094	4.6
155.08611	5.9
156.09296	4.7
157.10114	27.0
158.10887	6.6
159.08026	5.5
159.11676	43.5
160.12119	2.2
161.09604	7.7
161.13248	37.1
163.07561	3.4
163.11150	8.0
163.14812	20.1
169.10101	9.9
170.10857	5.1
171.11665	24.1
172.12259	2.9
173.09633	7.8
173.13272	42.2
175.11172	5.1
175.14803	28.9
177.09135	3.4
177.12685	12.6
177.16333	15.3
179.14331	3.7
181.10094	3.6
183.11679	15.0
185.09578	3.4
185.13257	28.7
187.11201	7.2
187.14784	100.0
189.12688	14.7
189.16373	27.2
191.10707	5.2
191.14281	7.0
191.17964	7.4
193.12227	4.0
195.11647	5.9
197.13200	14.9
199.14784	23.0
201.12756	31.3
201.16345	60.8
203.14313	15.4
203.17943	16.0
205.12234	4.2
205.15833	12.5
207.13773	7.1
207.17480	3.8
209.13303	3.7
211.14786	5.8
213.12703	3.7
213.16252	12.3
215.14304	14.9
215.17827	7.4
217.12233	3.0
217.15836	5.8
219.13814	7.0
219.17363	4.5
221.15337	9.7
223.14890	2.7
225.16415	6.6
227.14293	4.9
227.17957	4.0
229.15871	5.7
229.19496	3.2
231.13817	5.0
233.15302	12.2
235.14830	3.2
235.16956	6.3
237.14821	8.9
239.18027	4.8
245.15416	7.7
247.16965	11.8
249.14766	6.2
253.19464	5.5
255.17354	2.9
259.17242	3.3
263.16428	7.0
275.09045	2.5
277.18076	8.2
293.77560	2.8
301.21591	3.2
361.28671	3.2
365.27957	3.7
377.28268	5.4
379.29858	3.8
389.28204	11.5
395.29379	2.6
407.29153	71.8
408.29831	3.6
423.28696	12.5
425.30246	81.8
426.30276	3.6
435.28165	4.5
435.33057	3.9
453.29230	9.8
453.33273	16.9
471.31091	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	471.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.2
57.03441	0.2
59.87524	0.2
64.76706	0.2
64.84831	0.1
65.03924	0.4
67.05482	0.2
69.03424	1.2
70.06581	0.3
71.04974	0.2
71.61530	0.2
73.02919	0.2
81.03394	0.5
81.07076	0.2
84.08126	0.3
85.02882	1.4
86.06070	0.2
91.05462	3.8
95.04948	0.2
97.02877	1.5
98.97551	0.2
99.04432	0.3
99.78143	0.2
104.55997	0.2
109.02858	0.7
110.07144	0.3
119.04921	13.0
120.05238	0.2
121.06499	0.5
123.04384	0.3
127.03901	1.1
129.10208	0.3
135.04407	0.3
137.05965	0.2
138.09128	0.3
139.03845	0.3
145.02890	0.2
145.04932	0.2
146.06004	0.8
146.08052	0.2
147.04384	100.0
148.04709	1.2
154.08673	0.2
163.03909	0.4
165.05466	1.1
172.94649	0.2
177.05507	0.2
184.29845	0.2
231.06418	0.3
237.02800	0.3
242.74144	0.2
278.62888	0.2
279.03741	0.2
291.08624	1.7
291.13290	0.2
296.78464	0.2
302.86893	0.2
309.09656	10.2
309.13931	0.5
471.10312	0.1
471.14621	1.6
471.20663	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65030	0.5
55.01882	0.5
55.14089	0.4
55.58448	0.5
63.31074	0.5
64.04959	0.5
65.03928	0.5
69.03401	1.6
70.12576	2.5
81.03396	1.1
85.02882	2.4
86.59621	0.5
91.05450	2.4
95.05032	0.5
97.02862	1.5
98.21444	0.6
105.06956	0.5
107.04935	1.1
109.02845	1.1
115.05430	1.4
117.05697	1.0
117.07011	0.8
118.06525	16.0
119.04913	2.9
119.06878	0.6
121.02835	1.2
123.04362	0.7
125.46812	0.6
127.03918	0.8
130.06500	1.1
132.08046	4.6
137.05925	1.4
142.06477	2.1
143.07275	1.7
144.08058	12.4
146.05984	62.8
147.03200	1.0
147.04381	19.9
147.06230	1.1
159.09166	6.4
160.07466	0.7
165.01715	0.5
165.05403	1.1
167.06989	0.8
170.05989	4.5
181.47321	0.5
188.07034	100.0
189.07365	2.1
205.09686	47.8
206.10042	1.1
217.78474	0.5
237.02867	0.8
273.65781	0.5
274.41614	0.5
291.08588	1.2
291.13467	1.0
309.09760	2.7
309.14261	1.7
352.43625	0.5
471.10172	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41338	0.2
53.03922	0.3
55.01839	0.2
55.05494	0.2
57.03414	0.6
61.02911	0.4
65.03919	0.5
67.05481	0.2
69.03416	1.9
69.07054	0.2
70.06571	0.4
70.47168	0.4
70.47565	0.3
71.04967	0.7
73.02897	0.2
75.44569	0.2
79.05477	0.2
81.03394	1.3
81.07039	0.7
83.37866	0.2
85.02894	4.2
85.06515	0.8
87.04461	0.2
91.03915	0.3
91.05467	5.0
91.11231	0.2
92.05843	0.2
93.07021	0.4
95.04966	0.4
95.08572	0.4
97.02876	3.3
97.06497	0.2
99.04434	0.7
102.17408	0.2
105.07005	0.6
107.04922	0.3
107.08582	0.4
109.02876	1.1
109.10144	0.4
119.04926	14.0
119.08572	0.3
120.05289	0.2
121.02869	0.3
121.10130	0.8
122.03203	0.2
123.04438	0.8
123.11687	0.2
124.07567	0.2
125.09584	0.4
127.03883	2.6
129.09082	0.3
131.08575	0.3
133.10097	0.6
135.08096	0.2
136.07536	0.3
139.03896	0.4
140.59349	0.2
141.12738	0.3
143.10652	1.3
145.04956	0.6
145.08571	0.3
147.04388	100.0
148.04730	2.1
151.11177	0.2
155.03377	0.5
156.03700	0.2
159.11658	0.2
159.13814	0.3
163.03896	0.5
164.07115	0.3
165.05464	1.7
177.05493	0.3
177.14856	0.3
181.05009	0.2
182.08115	0.3
189.16455	0.4
219.17450	0.4
237.18394	0.4
247.07304	0.2
255.19572	0.5
273.07458	1.1
287.05130	0.2
291.08679	0.7
291.13202	0.3
309.09692	4.4
317.90723	0.2
326.92749	0.2
471.13455	0.8
471.20230	0.6
475.17786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.3
55.01836	0.3
55.05497	0.2
57.03408	0.6
61.02905	0.6
65.03930	0.7
67.01855	0.2
69.03419	2.1
70.06567	0.8
71.04975	0.8
71.17167	0.4
73.02879	0.2
74.08620	0.2
79.94541	0.2
81.03409	1.2
81.07042	0.7
83.04945	0.2
85.02408	0.3
85.02893	3.9
85.06531	4.0
86.09681	0.2
87.04437	0.2
91.05465	5.2
92.05781	0.3
95.04955	0.2
97.02880	3.4
97.06489	0.3
99.04433	0.7
99.08060	0.2
100.98497	0.2
105.07001	0.3
107.04926	0.3
107.08532	0.3
109.02876	1.4
111.04382	0.2
112.07590	0.6
113.09619	0.2
119.04930	16.2
119.87506	0.2
120.05276	0.4
121.02868	0.3
121.10115	0.5
122.06055	0.3
123.04422	0.4
124.07562	0.3
127.03899	2.8
127.07560	0.4
129.05476	0.3
133.10046	0.3
134.06010	0.2
135.04381	0.3
135.28563	0.2
136.07538	0.4
137.02312	0.2
137.05855	0.2
139.03885	0.5
140.07059	0.4
143.10629	0.5
145.02826	0.4
145.04961	0.4
145.08614	1.4
147.04391	100.0
148.04730	2.1
152.07040	0.4
163.03908	0.9
164.07034	0.5
165.05441	1.3
173.04553	0.2
177.05478	0.5
182.08147	0.5
197.89992	0.2
219.17651	0.2
237.18564	0.2
241.22772	0.1
250.37302	0.2
273.07559	0.7
291.08517	0.3
309.09628	3.4
309.14246	0.4
357.63721	0.2
411.03552	0.3
427.11285	0.2
435.18326	0.3
453.17795	0.2
471.14313	1.1
471.20642	0.4
479.47925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01866	8.7
55.05494	5.7
56.05841	1.5
57.03424	15.4
61.02920	13.3
65.03954	2.0
67.05485	9.9
69.03416	33.2
69.07073	9.5
70.07381	1.7
71.01358	4.3
71.04986	3.5
73.02904	65.9
78.67909	1.6
79.05473	7.5
81.03413	9.8
81.07039	17.8
82.07373	3.4
83.04980	2.9
85.02890	100.0
87.04448	3.6
91.03940	3.6
91.05434	7.7
91.75383	1.5
93.07033	11.2
94.07344	2.4
95.04936	3.8
95.08593	14.6
96.08929	2.8
97.02879	53.0
97.03510	3.1
97.06519	4.8
97.10162	1.6
99.04432	5.3
99.08076	2.1
103.03933	3.6
105.07026	14.5
106.07365	2.2
107.08559	14.2
108.08916	2.4
109.02856	8.6
109.06504	4.6
109.10148	13.5
110.10506	2.6
111.08092	1.8
115.03916	27.2
117.07033	2.4
119.08575	14.8
119.18967	1.6
120.08918	1.6
121.06487	1.7
121.10144	9.9
123.04402	2.4
123.08040	2.7
123.11688	3.9
124.12045	2.2
125.09584	2.3
127.03909	31.8
131.08560	6.8
132.08900	2.7
133.04944	30.1
133.10104	10.8
134.10437	3.5
135.08051	2.8
135.11676	4.5
137.09633	3.8
137.13281	1.7
143.08540	5.5
144.08914	2.0
145.04930	59.2
145.10123	9.1
146.10454	1.8
147.04384	2.1
147.11649	7.3
149.09587	2.5
149.13234	2.7
150.07637	2.4
155.08473	3.6
157.10083	7.2
158.10481	2.1
159.10446	1.6
159.11629	8.3
160.12132	3.0
161.09605	2.2
161.13145	2.2
163.05991	23.2
163.14764	1.6
165.09050	3.6
169.10074	3.7
171.11632	4.5
172.12105	2.8
173.13290	3.7
174.13664	2.0
175.11124	1.8
175.14819	3.9
183.11650	2.2
184.12038	2.0
185.13254	6.0
187.14822	5.7
188.15132	2.1
189.12810	1.6
189.16304	3.1
191.14326	1.5
194.10887	1.7
197.13264	4.6
199.05998	1.8
200.15167	2.7
201.16353	3.8
205.15836	2.0
209.13060	1.9
213.16389	3.5
214.16679	2.1
223.06033	5.3
241.07072	7.4
259.08020	10.6
295.10309	2.1
344.23178	2.5
375.37582	1.6
406.32010	3.6
419.47195	1.8
424.33035	5.6
434.31635	1.9
452.32474	7.0
470.33917	21.3
471.26596	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	470.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70628	0.4
53.03930	1.9
55.05508	2.2
57.03423	0.8
65.03919	1.9
67.05495	2.2
69.03419	2.9
69.07053	1.3
71.04976	1.3
71.51559	0.5
71.51883	0.6
79.05498	4.4
81.03407	7.1
81.07056	2.5
82.07371	0.5
83.04981	0.9
85.02402	0.7
85.02889	5.9
85.06563	0.4
91.05474	6.5
93.07035	26.0
95.04963	6.8
95.08597	1.9
97.02879	4.4
97.06521	1.8
98.98508	0.8
99.04443	1.0
105.04490	0.5
105.07014	3.2
107.08586	30.8
108.08879	0.6
109.02864	3.2
109.06509	1.2
109.10132	2.0
111.04433	2.1
115.74128	0.4
119.04932	1.3
119.06069	0.5
119.08550	1.2
121.02855	100.0
121.10133	1.2
122.03189	0.6
123.04441	0.6
127.03910	3.3
131.08624	0.5
133.10141	1.0
135.11678	21.4
137.09608	1.6
139.03886	18.6
145.04950	0.8
145.10114	0.5
147.04402	5.3
147.11661	0.6
159.11580	0.5
159.41458	0.4
163.03842	0.4
165.09085	0.4
177.05412	1.3
215.45439	0.4
222.07600	0.7
243.13922	0.7
259.09610	0.4
265.07059	10.4
265.09787	0.7
278.10938	0.6
283.08096	19.0
410.14050	0.7
449.45139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	2.1
55.01867	1.7
55.05498	6.9
57.03434	5.1
57.07062	1.9
58.48011	1.0
61.02923	7.9
67.05498	1.7
69.03421	15.0
69.07059	84.4
70.62965	3.3
71.04967	1.5
71.19589	0.9
73.02900	3.3
79.05491	1.2
81.03416	7.2
81.07033	1.8
83.01296	0.9
83.08608	6.2
85.02895	99.1
87.04463	1.8
91.03937	4.2
91.05451	1.5
93.07041	1.9
95.04944	2.2
95.08591	2.1
97.02879	24.2
99.04447	3.5
104.10712	1.7
105.07027	2.1
107.08581	2.1
109.02885	7.5
109.10124	4.8
111.11708	46.6
113.09608	1.1
115.03893	2.2
119.08535	1.5
121.06491	2.1
121.10123	2.6
123.04444	1.4
123.11742	1.6
127.03893	22.1
127.11180	1.8
129.12738	100.0
133.04938	1.8
137.05969	2.7
141.06981	5.8
141.12666	4.7
145.04944	46.7
147.04395	4.1
153.12755	1.7
159.13696	1.2
163.06001	23.0
165.08994	1.1
170.85432	1.0
177.05421	1.2
180.08665	1.2
215.65524	1.2
237.14839	1.4
255.15904	2.5
255.37619	1.0
273.16904	1.8
291.17963	2.3
325.11478	1.8
331.11490	1.1
471.19974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
54.93777	2.7
55.01872	3.4
55.05511	13.5
55.93510	8.5
56.94300	5.7
57.03425	14.5
57.07062	4.8
61.02628	4.9
61.02917	50.0
66.83087	2.7
67.05493	42.9
68.97561	2.4
69.03408	17.1
69.07062	12.9
69.94002	5.9
69.94421	9.3
70.95853	9.8
71.01328	3.5
71.04982	8.0
71.05379	2.5
72.93782	27.0
73.02895	16.9
79.05483	27.2
81.03407	16.9
81.07043	45.7
81.18563	2.6
82.07369	3.3
83.04974	7.2
83.08612	7.7
85.02891	50.0
85.06563	3.6
88.96893	5.3
89.05999	5.2
90.94807	19.6
91.03949	39.6
91.05481	20.2
93.07033	28.9
95.04938	7.4
95.08606	42.2
96.08925	7.6
97.02875	35.4
97.06515	3.5
98.20727	3.5
99.04431	6.8
101.02349	5.2
103.03943	4.4
105.07018	21.0
106.07340	4.2
107.08594	23.2
108.08898	6.3
108.95854	10.3
109.02876	6.7
109.06518	2.5
109.10134	18.4
111.04481	2.9
113.96397	6.2
115.03902	4.6
117.06978	7.2
119.08561	19.2
120.08896	5.6
121.06445	3.6
121.10122	21.0
122.10489	3.4
123.08072	3.6
123.11690	7.9
127.03918	15.0
128.96413	4.6
130.07713	2.7
130.97853	4.0
131.08553	8.0
132.95850	10.7
133.10104	11.6
134.10435	2.9
134.97377	5.3
135.08087	3.1
135.11664	14.1
136.40118	3.0
143.08481	3.2
144.95859	10.7
144.99452	3.6
145.04921	6.0
145.10136	13.4
146.10489	4.6
146.97382	9.2
147.11679	9.8
148.12062	3.8
148.98935	5.4
149.09735	2.7
149.13237	7.7
150.96878	9.6
151.02107	2.7
156.99368	3.3
157.10101	4.2
158.97392	3.9
159.11691	4.6
160.12076	3.0
160.98912	2.5
161.09648	3.3
161.13258	5.3
162.96875	9.9
163.00510	2.9
163.06053	2.8
163.11227	6.8
163.14882	2.7
164.98428	5.7
168.95845	3.4
172.99033	4.1
173.13239	8.0
174.13509	3.2
174.96800	3.5
175.11066	2.7
175.14818	4.9
176.15236	2.9
176.98439	5.8
183.06483	4.3
184.98965	3.9
186.96861	30.6
187.14810	4.3
188.15265	3.4
188.98500	3.6
189.16426	4.5
190.16663	4.2
197.13315	3.3
198.96800	4.9
201.07671	3.3
201.16277	3.8
202.16693	3.2
204.97931	7.6
216.97896	5.3
217.15822	2.7
218.16115	2.8
225.15862	2.9
227.20036	11.6
227.99553	5.1
253.05232	7.4
258.00552	4.1
259.07196	3.9
261.22141	7.8
269.04507	4.9
270.06558	3.3
271.06235	100.0
272.06497	10.8
276.11948	3.8
281.04688	14.7
283.15463	9.3
294.07809	22.5
298.06107	3.9
299.05753	31.0
300.06073	3.1
301.07159	3.2
322.07312	9.3
329.11966	3.8
333.15091	50.6
334.15546	6.3
335.25681	28.2
371.78912	2.7
372.26132	4.3
400.29214	7.4
406.32007	3.3
424.32849	10.2
435.60770	2.8
452.32230	15.5
470.33389	90.8
497.30984	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	470.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01867	4.9
55.05503	3.9
57.03427	7.6
57.07076	1.0
59.05014	0.9
61.02922	5.4
65.03937	1.1
67.05506	5.7
69.03421	12.7
69.07064	1.0
70.06551	0.9
71.04989	4.3
71.61960	0.8
72.19292	0.6
73.02932	2.9
74.06062	2.2
79.05468	0.9
81.03408	6.2
81.07047	1.9
83.01324	0.8
83.04983	1.7
83.08605	4.5
83.84531	0.6
85.02896	54.5
85.06525	3.6
86.06071	0.7
87.04452	2.3
91.03946	2.7
91.05451	2.3
93.07049	5.1
95.04965	1.6
95.08585	3.3
97.02882	17.7
97.03511	1.0
97.06499	0.8
99.04433	4.6
99.08081	1.7
101.06051	0.6
103.03954	0.9
107.04961	0.6
107.08590	1.4
107.67113	0.7
109.02879	6.2
109.06474	2.0
111.04392	1.2
111.08070	48.4
112.08910	1.0
113.09628	12.6
115.42790	0.6
116.07085	1.3
117.50883	0.6
119.04913	1.3
121.06497	1.6
121.10162	0.8
123.04412	2.6
123.08111	2.9
127.03901	18.5
127.07547	2.7
129.09103	100.0
130.09427	1.1
133.06491	0.7
135.04411	0.8
135.08102	1.1
136.07605	0.7
137.05994	1.7
139.03906	4.9
139.07506	1.1
141.09070	1.9
144.06554	1.2
145.04938	17.1
147.04405	5.3
151.07489	0.8
153.09077	1.7
155.06946	0.6
157.08635	0.8
159.10156	2.6
161.05951	1.1
161.09604	0.6
163.06033	5.4
165.05519	0.8
165.09143	1.0
167.07021	0.6
171.10158	1.1
180.08586	0.6
187.13258	0.7
193.08577	0.8
219.10173	0.9
225.11536	0.6
237.11208	1.4
241.82661	0.5
255.12259	5.9
273.13306	19.7
290.12366	0.8
291.08765	1.8
291.14349	42.0
292.14694	1.1
298.00583	0.6
325.11298	1.0
348.09674	0.9
450.16315	0.6
470.12863	2.7
470.22980	1.3
471.12384	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	470.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
54.93777	2.7
55.01872	3.4
55.05511	13.5
55.93510	8.5
56.94300	5.7
57.03425	14.5
57.07062	4.8
61.02628	4.9
61.02917	50.0
66.83087	2.7
67.05493	42.9
68.97561	2.4
69.03408	17.1
69.07062	12.9
69.94002	5.9
69.94421	9.3
70.95853	9.8
71.01328	3.5
71.04982	8.0
71.05379	2.5
72.93782	27.0
73.02895	16.9
79.05483	27.2
81.03407	16.9
81.07043	45.7
81.18563	2.6
82.07369	3.3
83.04974	7.2
83.08612	7.7
85.02891	50.0
85.06563	3.6
88.96893	5.3
89.05999	5.2
90.94807	19.6
91.03949	39.6
91.05481	20.2
93.07033	28.9
95.04938	7.4
95.08606	42.2
96.08925	7.6
97.02875	35.4
97.06515	3.5
98.20727	3.5
99.04431	6.8
101.02349	5.2
103.03943	4.4
105.07018	21.0
106.07340	4.2
107.08594	23.2
108.08898	6.3
108.95854	10.3
109.02876	6.7
109.06518	2.5
109.10134	18.4
111.04481	2.9
113.96397	6.2
115.03902	4.6
117.06978	7.2
119.08561	19.2
120.08896	5.6
121.06445	3.6
121.10122	21.0
122.10489	3.4
123.08072	3.6
123.11690	7.9
127.03918	15.0
128.96413	4.6
130.07713	2.7
130.97853	4.0
131.08553	8.0
132.95850	10.7
133.10104	11.6
134.10435	2.9
134.97377	5.3
135.08087	3.1
135.11664	14.1
136.40118	3.0
143.08481	3.2
144.95859	10.7
144.99452	3.6
145.04921	6.0
145.10136	13.4
146.10489	4.6
146.97382	9.2
147.11679	9.8
148.12062	3.8
148.98935	5.4
149.09735	2.7
149.13237	7.7
150.96878	9.6
151.02107	2.7
156.99368	3.3
157.10101	4.2
158.97392	3.9
159.11691	4.6
160.12076	3.0
160.98912	2.5
161.09648	3.3
161.13258	5.3
162.96875	9.9
163.00510	2.9
163.06053	2.8
163.11227	6.8
163.14882	2.7
164.98428	5.7
168.95845	3.4
172.99033	4.1
173.13239	8.0
174.13509	3.2
174.96800	3.5
175.11066	2.7
175.14818	4.9
176.15236	2.9
176.98439	5.8
183.06483	4.3
184.98965	3.9
186.96861	30.6
187.14810	4.3
188.15265	3.4
188.98500	3.6
189.16426	4.5
190.16663	4.2
197.13315	3.3
198.96800	4.9
201.07671	3.3
201.16277	3.8
202.16693	3.2
204.97931	7.6
216.97896	5.3
217.15822	2.7
218.16115	2.8
225.15862	2.9
227.20036	11.6
227.99553	5.1
253.05232	7.4
258.00552	4.1
259.07196	3.9
261.22141	7.8
269.04507	4.9
270.06558	3.3
271.06235	100.0
272.06497	10.8
276.11948	3.8
281.04688	14.7
283.15463	9.3
294.07809	22.5
298.06107	3.9
299.05753	31.0
300.06073	3.1
301.07159	3.2
322.07312	9.3
329.11966	3.8
333.15091	50.6
334.15546	6.3
335.25681	28.2
371.78912	2.7
372.26132	4.3
400.29214	7.4
406.32007	3.3
424.32849	10.2
435.60770	2.8
452.32230	15.5
470.33389	90.8
497.30984	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	469.3309
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03932	3.5
55.01855	3.7
55.05500	17.9
56.69017	1.4
57.03416	5.3
57.07052	4.7
59.04998	1.7
61.02911	3.6
65.03937	2.0
66.49232	1.6
67.05155	2.7
67.05492	28.5
69.03417	19.5
69.07056	21.1
70.01870	8.8
71.04964	5.8
73.02896	3.0
79.05479	21.7
81.03416	8.4
81.07046	67.4
82.07349	1.7
83.04962	20.7
83.08627	9.7
84.68712	1.7
85.02892	22.0
85.06531	14.7
91.05458	23.9
93.07027	52.6
95.04954	33.8
95.08589	69.4
95.98698	1.5
97.02860	10.2
97.06509	16.3
97.10149	7.2
98.06876	1.9
99.04435	4.1
99.08058	6.0
105.01807	1.8
105.07018	58.5
106.07323	2.2
106.73784	1.5
107.08581	67.1
109.02863	6.1
109.06503	11.4
109.09447	3.0
109.10145	40.3
109.10888	2.0
111.04396	3.7
111.08066	17.4
111.11682	2.1
113.09663	2.9
115.05408	3.1
117.07000	12.9
119.04860	2.1
119.08569	64.7
121.02856	19.4
121.06488	6.9
121.10124	49.3
123.04414	5.3
123.08047	8.2
123.11685	31.3
125.05910	2.4
125.09624	28.5
127.03902	7.8
127.07553	1.9
127.11166	3.6
129.06973	7.1
131.08560	34.2
133.10106	48.6
134.10406	2.2
135.08049	7.6
135.11670	24.7
137.05930	9.2
137.09598	7.8
137.13297	3.6
139.03830	4.2
139.07527	2.3
139.11136	5.2
141.05421	3.9
141.07008	2.0
142.07741	5.6
143.08530	13.1
144.09341	3.6
145.02895	1.7
145.04967	4.8
145.10097	61.8
146.10536	1.9
147.04399	6.3
147.07991	3.1
147.11665	29.7
149.09636	7.8
149.13211	9.9
151.07655	2.5
151.11151	5.3
153.05377	2.1
153.12723	1.8
155.08519	3.1
156.09311	2.0
157.10106	25.1
158.10822	3.2
159.08014	2.9
159.11659	46.2
161.02248	1.9
161.05917	2.1
161.09607	6.4
161.13234	25.3
163.03877	8.6
163.11171	9.2
163.14812	12.4
165.12766	9.0
167.10629	2.1
169.10057	7.7
171.11646	19.9
171.13823	1.9
172.12431	2.7
173.02356	3.7
173.09544	4.6
173.13214	30.1
175.11156	3.4
175.14806	32.0
177.05382	3.8
177.09169	1.8
177.12730	5.7
177.16353	14.0
179.10695	2.0
179.14314	3.6
183.11618	8.0
184.12349	2.3
185.09622	1.8
185.13249	18.1
187.11198	2.6
187.14799	37.4
189.08986	2.4
189.12688	4.9
189.16365	18.3
191.14278	7.9
191.17960	3.7
193.15846	5.8
195.11739	2.0
197.13234	5.6
199.14780	19.1
201.12837	2.1
201.16353	27.6
203.14316	24.4
203.17957	7.3
205.15843	100.0
207.17438	4.7
209.13280	2.2
211.14801	4.4
213.16289	10.9
215.07007	4.3
215.14314	3.8
215.17906	8.4
217.15858	24.4
219.17401	26.3
221.15340	2.8
221.19032	3.0
222.04688	1.8
225.16377	1.9
227.17915	5.4
229.15822	8.0
229.19514	3.2
231.17336	8.8
233.15291	7.6
233.19008	7.8
241.15767	2.5
241.19472	3.5
243.17308	3.1
245.15358	2.6
245.19046	2.6
247.16867	4.4
253.19539	2.9
257.18945	3.9
259.09650	12.5
259.16925	4.1
259.20343	2.6
260.10056	9.6
267.21283	1.9
269.19070	2.9
271.20697	2.4
273.18616	2.5
277.10648	4.7
283.08047	4.5
283.20514	4.1
289.25156	6.2
307.26282	15.9
311.23572	3.4
349.27335	2.2
387.30338	2.2
393.31534	4.2
395.33127	3.6
397.31033	3.9
405.31470	15.7
407.33179	2.9
415.32043	5.4
423.32516	31.1
425.33899	2.5
433.31403	4.2
434.17377	1.8
441.33997	2.5
451.32187	27.0
452.18225	3.1
469.13315	2.2
469.19449	13.2
469.33276	22.9
470.19003	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	469.3304
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.52785	2.0
53.03926	2.5
55.05497	12.7
57.03422	2.1
57.07042	5.5
61.14296	2.2
65.03908	3.2
66.05737	2.0
67.05487	21.1
69.03413	19.3
69.07050	17.3
69.50088	2.1
69.55636	4.7
69.56049	15.7
71.04963	4.7
71.08594	2.1
79.05475	16.7
81.07044	54.3
83.08593	6.5
91.05457	27.4
93.07026	48.0
95.04950	3.9
95.08590	63.6
97.06519	23.0
97.10143	2.6
105.07006	94.0
107.08572	68.4
109.06495	6.3
109.10136	42.9
111.08046	5.2
115.05404	2.5
117.06996	20.0
119.08558	72.2
121.06476	4.0
121.09286	4.1
121.10110	46.1
123.08046	7.5
123.11667	15.1
125.09607	26.4
127.11172	4.9
128.06200	2.7
129.06984	7.5
130.07761	2.7
131.07568	4.1
131.08542	59.9
133.06483	2.7
133.10100	62.5
135.08014	3.3
135.11662	47.7
137.09604	2.8
137.13239	3.6
142.07742	10.3
143.08527	40.5
144.09311	5.2
145.10100	100.0
147.07970	4.4
147.10483	4.3
147.11653	67.4
149.05943	2.8
149.09578	9.0
149.13223	17.7
151.11107	2.6
155.08530	9.5
156.09283	4.4
157.10085	50.3
157.11290	4.0
159.11659	82.5
161.09586	8.5
161.13235	51.7
163.11137	7.3
163.14792	10.7
165.12782	2.7
169.10091	15.5
170.10855	3.9
171.11647	32.2
173.09566	3.0
173.13211	47.5
175.11191	8.8
175.14760	28.3
177.09071	3.7
177.12703	3.7
177.16356	6.0
179.14114	2.4
183.11671	12.9
185.09653	2.2
185.13232	32.8
185.43388	2.2
187.11142	7.5
187.14778	54.9
189.12695	9.2
189.16353	22.6
191.10640	4.6
191.14279	6.1
191.17879	5.7
193.12291	2.6
195.11713	4.0
197.13205	8.1
199.14774	31.8
201.12704	7.5
201.16341	55.1
203.14278	9.6
203.17906	8.2
205.12195	3.1
205.15851	8.0
207.13766	4.6
209.11572	3.8
209.13361	3.4
211.14790	6.9
213.16264	17.8
215.14276	8.3
215.17931	11.5
217.12222	3.3
217.15810	16.4
219.13742	7.4
219.17426	6.0
223.14708	5.5
225.16309	6.3
227.14246	4.2
227.17883	8.1
229.15808	4.4
231.13756	10.6
231.17395	9.6
231.57089	2.4
233.15370	12.0
233.19052	3.1
237.14708	4.3
239.17909	5.1
241.19473	3.8
243.21033	2.9
245.15349	7.6
245.19017	4.3
251.17769	2.5
253.19521	2.9
255.20944	2.1
259.20389	2.7
263.16342	3.4
267.21112	3.4
281.22549	2.3
328.29135	5.5
339.27032	2.5
358.69119	2.4
367.26346	4.1
373.27243	3.0
385.27377	6.5
387.30338	7.5
405.31479	43.8
407.32788	6.1
423.32492	40.4
433.30908	23.6
451.32013	71.0
457.76312	2.4
469.33011	41.7
474.41357	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	469.3303
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
51.84495	1.9
55.05499	9.0
56.34950	2.2
61.34415	2.3
67.05481	8.2
69.03399	2.2
69.07059	13.5
69.49664	18.4
79.05481	9.8
81.07042	27.6
83.08613	3.3
91.05456	11.0
93.07027	29.4
95.04968	2.4
95.08589	38.9
97.10159	3.5
98.21487	2.5
105.07011	29.3
107.08580	41.2
109.06514	7.1
109.10142	16.2
111.08095	2.7
117.06999	5.8
117.88661	2.1
119.08559	56.7
121.06490	7.3
121.10130	30.3
123.08099	3.0
123.11701	6.8
128.06218	3.2
131.08548	17.9
133.10110	34.6
135.08028	3.7
135.11676	14.1
137.09621	3.7
143.08522	9.9
144.09413	2.0
145.10095	32.7
147.08011	5.8
147.11693	24.1
149.09583	10.2
149.13252	14.4
153.09044	3.7
155.08557	3.2
156.09285	5.3
157.10106	17.2
158.10905	2.4
159.11676	25.8
161.09610	9.0
161.13206	21.2
163.11131	3.6
163.14807	21.5
169.10133	3.5
171.11700	8.8
172.12312	2.0
173.09578	2.2
173.13208	23.5
175.11180	6.1
175.14790	24.3
177.12785	3.6
177.16344	21.0
183.11646	4.2
185.13251	14.8
187.14784	45.4
189.12727	6.0
189.16338	47.5
190.92087	2.2
191.14328	8.0
191.17935	8.2
193.15897	2.7
197.13284	5.6
198.61603	2.4
199.14748	14.5
201.16350	19.1
203.14270	10.9
203.17943	15.8
205.15907	6.1
207.13878	3.2
213.16301	16.0
215.14293	8.1
215.17831	11.3
217.15866	13.2
217.19447	5.6
221.15268	2.9
229.15840	3.1
229.19443	3.6
231.17346	5.6
231.21236	2.2
233.15349	9.8
235.16971	6.3
241.19469	3.9
243.21283	2.4
245.15346	4.7
247.16907	3.9
253.19530	2.5
269.22653	4.7
369.70935	2.3
383.32199	2.2
387.30273	3.0
393.31577	18.0
395.32962	5.7
405.31464	17.2
406.31787	2.7
407.33008	3.6
421.30875	13.2
423.32495	53.3
425.34158	14.0
433.31183	5.8
439.31976	19.2
451.32092	15.9
469.33118	100.0
470.33344	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	469.3307
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03935	2.1
55.05255	1.0
55.05503	14.3
57.03412	1.0
57.07067	5.0
65.03916	1.2
67.05497	15.9
69.03377	0.7
69.07056	14.5
69.41411	5.1
69.41824	1.3
70.42520	0.7
71.04969	1.1
71.08624	1.2
77.03896	0.7
78.52722	0.6
79.05474	8.4
81.03413	0.8
81.07043	34.9
83.04967	66.5
83.08607	3.9
85.02894	0.9
85.06535	1.9
90.94835	0.7
91.03970	1.1
91.05465	9.2
93.07027	17.8
95.04950	2.4
95.08592	55.7
97.06508	2.5
97.10139	2.7
98.20789	1.7
99.08073	2.0
103.05453	0.9
105.04534	0.7
105.07011	23.2
107.08580	19.4
109.06504	2.2
109.10136	26.9
111.08123	0.9
111.11712	1.0
115.05433	1.4
117.06997	6.9
119.08558	17.5
121.06486	1.9
121.10120	30.6
123.08082	1.5
123.11684	10.8
125.09583	3.4
127.03825	0.8
127.11132	1.2
128.06210	3.6
129.06981	7.5
130.07765	1.1
131.08543	15.0
133.10104	17.2
135.08047	1.2
135.11674	11.7
137.09583	1.1
137.13232	10.6
141.06940	6.0
142.07747	6.6
143.08542	25.6
145.10100	19.8
147.08011	1.3
147.11670	15.6
149.02388	2.2
149.05940	1.6
149.09575	2.0
149.13225	7.1
151.07542	0.8
151.14798	2.0
153.06938	1.2
153.12621	0.8
154.07738	2.1
155.08527	16.9
156.09322	4.6
157.10109	25.1
159.08125	1.1
159.11662	17.8
161.09621	3.2
161.13220	11.3
163.11203	2.2
163.14809	5.9
167.07129	0.9
167.08575	1.6
168.09306	0.8
169.10094	17.7
170.10788	1.4
171.08011	0.7
171.11656	18.5
173.09627	3.3
173.13229	8.9
175.11179	2.7
175.14795	5.3
177.09077	1.5
177.12724	1.5
177.16364	5.0
179.08563	1.7
179.14243	0.8
180.09242	0.8
181.10060	3.9
182.10890	1.6
183.11661	10.5
185.09682	1.0
185.13240	9.4
187.11127	5.6
187.14771	9.8
189.09024	0.9
189.12749	2.5
189.16371	4.2
191.10629	1.6
191.14339	0.9
193.10178	0.9
195.10095	1.0
195.11682	5.6
195.17534	0.8
197.09605	2.3
197.13248	9.9
199.11150	1.1
199.14783	9.3
201.09076	4.3
201.12767	2.6
201.16360	6.0
203.10632	1.7
203.14307	2.0
203.17952	1.0
205.12212	1.9
205.15851	1.8
205.19554	0.7
207.11763	1.3
207.17484	1.0
209.13257	4.7
211.14790	7.6
212.15540	1.1
213.12625	0.9
213.16281	3.5
215.10678	9.8
215.14313	1.8
215.17978	1.8
217.12244	3.1
217.15811	1.7
217.19557	1.6
219.17439	2.3
221.13278	0.8
223.14854	3.6
225.12779	0.9
225.16422	2.9
227.14349	1.5
227.17903	1.5
229.12271	5.1
229.15909	2.0
229.19449	1.2
231.13844	3.6
231.17447	0.9
233.11646	1.7
233.15356	1.4
237.16342	3.8
239.14238	0.7
239.17851	3.5
241.12271	1.5
241.19408	2.0
243.13753	5.6
245.15372	3.1
247.13203	1.1
247.17114	1.0
249.14503	0.9
251.17996	2.2
253.19496	2.8
255.13789	2.3
256.14639	0.9
257.15302	4.8
261.14911	2.8
265.19513	1.3
267.17413	0.7
269.15457	2.2
275.16470	2.8
277.19391	0.9
279.21024	1.9
281.22836	0.9
283.16995	2.0
285.18518	2.4
287.16486	0.8
297.18561	2.3
299.05804	1.8
303.19666	1.3
307.24091	7.6
309.25687	4.1
315.19348	1.0
321.16895	1.7
325.21796	1.0
325.25134	4.4
335.23810	1.7
349.25153	1.1
353.24673	22.9
353.28931	1.4
369.24060	1.4
371.25723	20.6
371.30426	1.0
377.24240	1.2
395.25739	1.4
405.31522	7.1
423.32852	8.4
433.30984	5.5
451.32056	10.9
469.33115	100.0
470.33511	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	469.3308
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03925	2.9
55.01872	4.4
55.05499	17.0
57.03432	4.3
57.07056	5.9
58.14155	2.9
67.05493	29.5
69.03416	10.8
69.07058	28.0
70.17548	5.5
70.17958	8.8
71.04990	5.6
73.02894	4.1
79.05482	32.1
81.03408	12.7
81.07049	71.9
83.04985	14.9
83.08602	10.1
85.02897	11.6
85.06541	11.4
91.05463	37.9
93.07028	54.1
95.04978	15.5
95.08597	67.6
97.02869	8.7
97.06521	17.4
97.10152	10.3
99.04474	5.0
99.08071	4.8
100.11240	3.2
105.07020	65.0
107.04913	4.5
107.08578	81.7
109.02854	5.6
109.06498	13.5
109.10149	43.6
111.08079	11.1
115.05421	4.9
117.06986	12.5
119.04931	9.7
119.08571	100.0
121.06479	9.4
121.10126	42.3
123.04433	10.1
123.08040	7.8
123.11699	22.0
125.05956	4.4
125.09609	21.7
127.03922	5.0
128.06230	3.4
129.07014	9.2
130.07748	4.9
131.08554	43.8
133.10117	63.4
135.08069	11.2
135.11665	24.2
137.05968	8.4
137.09618	5.4
139.03874	4.1
141.06956	5.7
142.07733	5.0
143.08530	19.1
144.09277	4.9
145.10106	73.3
147.04405	33.2
147.08051	6.4
147.11681	32.7
149.09589	6.1
149.13245	21.3
151.11174	6.4
153.09114	5.3
155.08539	6.5
156.09279	6.9
157.10117	28.5
158.10866	4.4
159.08060	4.4
159.11678	50.6
161.09604	13.8
161.13237	27.7
163.03886	6.1
163.07527	5.0
163.11128	7.2
163.14798	18.0
165.05508	4.9
165.09091	3.3
169.10081	15.4
170.10857	3.9
171.11682	22.2
173.02257	3.5
173.09578	4.4
173.13269	38.9
175.07500	3.0
175.11197	9.1
175.14793	38.4
177.05493	7.2
177.12766	8.0
177.16359	22.0
179.10686	4.2
181.10133	4.8
181.12308	3.6
183.11647	11.1
184.12392	3.4
184.16972	3.5
185.09512	3.1
185.13248	21.1
187.11176	5.5
187.14804	76.3
189.12743	11.1
189.16370	32.8
191.10686	3.5
191.14311	10.0
191.17953	6.2
193.15771	4.0
195.11588	2.9
197.13170	14.7
199.10934	3.2
199.14792	29.1
201.12738	5.4
201.16360	70.8
203.07141	2.7
203.10692	3.1
203.14325	16.9
203.17940	22.3
205.05038	3.4
205.12625	3.1
205.15857	63.0
205.19476	3.0
207.11684	3.5
207.17474	4.6
209.13280	5.6
211.14833	10.4
213.12770	4.2
213.16371	22.9
215.07143	2.9
215.14288	8.1
215.17863	12.8
217.15807	15.2
217.19470	3.2
219.17435	8.4
221.15334	7.8
223.14777	2.9
225.16333	6.3
227.14395	3.2
227.17932	5.8
229.15982	3.1
229.19382	3.9
231.17455	11.5
233.15192	4.4
233.19017	6.8
235.16869	5.9
237.16389	5.1
239.17972	5.7
241.19492	4.7
245.15442	6.1
247.16948	8.6
253.19609	6.6
255.21095	3.2
259.09598	6.6
259.16919	6.6
265.19513	4.9
267.21179	3.6
269.19138	3.6
279.27844	3.0
289.17825	3.0
299.09052	3.8
299.20114	3.4
327.23196	4.5
367.26309	3.3
375.30078	2.9
387.30563	9.4
393.31464	12.2
405.26651	4.3
405.31531	40.7
407.33099	7.3
415.31876	3.9
420.89682	2.7
421.31033	9.4
423.27670	3.2
423.32748	21.7
433.30884	13.9
433.47864	2.6
439.32178	6.0
451.32285	50.1
452.17047	3.3
469.23898	7.9
469.33533	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	469.3306
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
53.03928	2.4
55.05507	9.5
57.07072	2.6
59.22746	1.7
67.05496	16.9
69.03409	3.4
69.07057	12.2
70.61133	6.2
79.05482	13.6
81.07047	32.5
83.08602	6.0
91.05457	12.5
93.07031	37.4
95.04959	5.1
95.08592	72.0
97.06517	4.4
100.08640	1.6
105.07011	42.3
107.07851	3.1
107.08579	47.7
109.06514	7.8
109.10134	27.5
111.08063	2.1
117.07010	6.7
119.08566	77.0
121.06513	6.8
121.10131	48.1
121.11009	2.5
123.08066	7.5
123.11701	8.8
125.09680	2.9
128.06194	2.2
129.07002	5.0
130.07771	2.1
131.08553	24.2
133.10112	45.8
135.08061	6.5
135.11668	19.2
137.09592	4.3
137.13268	2.3
142.07773	4.4
143.08574	12.0
144.09245	1.7
145.10107	39.5
147.08032	6.2
147.11679	30.9
149.09630	12.2
149.13263	13.4
151.11137	1.7
153.09097	4.4
155.08492	3.3
156.09370	4.4
157.10107	20.5
159.08093	4.2
159.11665	29.8
159.12912	1.3
161.09561	13.1
161.13246	25.2
163.11180	7.2
163.14799	15.9
167.10655	2.7
168.63562	1.8
169.10120	4.4
170.10829	3.0
171.11703	12.4
173.09636	3.8
173.13229	23.9
175.11198	12.5
175.14818	24.2
177.12756	7.5
177.16370	18.0
183.11681	6.6
185.09793	1.9
185.13205	13.3
187.11154	4.2
187.14803	35.7
189.12729	16.0
189.16360	45.6
191.14363	9.6
191.16483	1.9
191.17886	11.4
197.13246	5.8
199.14816	16.0
201.12778	4.8
201.16312	18.2
203.14267	23.4
203.17932	19.3
205.15898	7.2
207.13866	7.3
209.15370	2.2
211.14836	4.4
213.12680	2.0
213.16333	13.9
215.14278	10.8
215.17969	13.2
217.15869	14.1
217.19406	3.3
219.13802	6.6
219.17474	2.9
221.15274	8.5
225.16344	6.5
227.17857	2.1
229.15874	7.1
229.19479	5.3
231.17453	6.1
233.15375	8.6
235.16879	12.1
239.17993	2.8
241.19475	3.8
243.21117	3.6
245.15451	6.2
247.16849	11.5
249.18535	4.8
253.19487	2.5
255.21077	2.5
259.16986	3.1
261.18567	4.1
269.22577	3.2
297.22058	4.3
309.22116	6.7
319.37314	1.9
327.23050	13.7
335.23624	1.9
375.30518	2.1
387.30539	5.1
393.31464	42.7
405.31494	21.5
421.30960	14.2
423.32547	72.5
424.33130	2.0
433.31058	7.7
439.32056	36.8
451.32138	15.5
469.33109	100.0
470.33279	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Tyromycic acid D
Peak:m/z	Relative Intensity
54.74767	2.5
55.05497	7.0
57.07059	2.7
59.04971	2.7
59.90895	1.9
63.23446	1.8
67.05491	12.2
69.07063	17.4
69.55718	17.9
71.04973	3.0
75.65717	1.9
79.05482	9.5
81.07037	21.7
83.04987	3.5
83.08610	8.4
84.85831	2.0
86.64137	2.1
91.05454	13.9
93.07036	19.5
95.04980	2.9
95.08588	34.4
97.06500	4.2
97.10155	4.5
98.20754	4.9
105.06329	2.3
105.07006	31.8
106.18897	2.3
107.08583	32.7
109.06514	4.0
109.10133	20.4
111.08067	2.4
111.11791	2.0
117.06994	5.0
119.08559	81.3
121.06518	3.0
121.10124	25.0
123.08040	3.7
123.11718	5.9
125.09638	2.1
127.11147	2.2
129.06950	3.3
131.08546	21.7
133.10106	42.1
135.07993	3.7
135.11673	14.6
137.09619	4.8
137.13222	2.5
142.07768	7.4
143.08531	17.5
145.10098	36.6
147.11659	20.1
149.09593	5.8
149.13268	10.9
155.08507	5.4
156.09314	5.9
157.10101	23.1
158.10840	3.8
159.11667	34.7
161.09575	12.5
161.13232	16.4
163.11223	2.9
163.14822	9.7
165.12721	2.3
169.10098	8.9
170.10896	3.0
171.11647	21.2
173.09615	2.7
173.13228	34.5
175.11211	5.2
175.14819	33.1
177.12732	2.5
177.16330	9.7
181.10162	2.7
183.11725	7.5
184.12465	5.3
185.13243	13.7
187.14793	36.7
189.16331	14.4
191.14264	3.3
193.15945	3.9
195.11676	4.8
197.13252	10.2
199.14807	31.1
201.12621	3.7
201.16377	30.4
203.14294	7.1
203.17873	4.2
205.15840	5.3
209.13319	4.3
211.14806	11.0
213.16302	17.6
213.82971	2.1
215.17879	4.5
217.15782	14.5
221.13171	4.4
221.15280	3.7
221.46590	2.3
223.14902	3.8
225.16327	4.9
227.17749	2.8
229.15948	3.7
231.17366	10.2
235.16884	52.3
237.16312	3.2
239.17955	5.2
241.19327	3.2
243.17691	2.5
247.17015	5.4
248.48228	2.1
249.18546	9.8
251.17967	2.5
253.19504	2.9
279.21158	2.9
291.20724	2.4
303.20880	2.5
317.22522	2.8
327.23111	3.5
333.25668	3.3
387.30374	32.8
388.31076	2.6
405.31473	100.0
406.31964	6.2
423.32556	68.5
433.31113	13.1
451.32126	27.5
469.33395	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3307
Annotation	Acridocarpusic acid C
Peak:m/z	Relative Intensity
55.05504	13.1
57.07077	2.9
67.05491	15.6
69.03417	5.2
69.07060	13.7
79.05472	13.1
81.03455	2.5
81.07047	35.9
82.10448	1.9
83.04956	4.8
83.08605	5.4
85.06528	2.5
91.05471	18.2
93.07031	32.8
94.29030	1.8
95.04961	6.2
95.08595	42.9
97.06504	5.0
97.10159	2.0
105.07007	41.8
105.07655	3.2
107.08578	47.3
107.09280	3.6
109.06532	8.4
109.10143	27.2
110.22919	1.8
111.08096	2.3
117.07008	6.5
119.08564	58.3
121.06510	5.2
121.10117	31.9
123.08089	6.2
123.11715	7.7
129.07001	6.2
131.08553	21.9
133.06477	2.9
133.10115	39.9
133.11053	3.0
135.08075	6.2
135.11646	11.5
137.09631	5.1
139.11110	2.1
142.07819	4.1
143.08546	16.8
144.09402	2.2
145.10094	41.0
147.08043	5.3
147.11679	29.3
149.09604	10.6
149.13231	10.7
151.07529	3.3
153.09103	3.5
155.08574	4.7
156.09337	3.5
157.10114	18.9
159.08069	2.3
159.11665	34.8
161.09631	8.6
161.13222	19.4
163.11169	5.7
163.14777	14.0
165.12762	3.3
167.10751	2.4
169.10170	7.3
170.10942	4.4
171.11674	17.5
173.09624	5.5
173.13255	24.0
175.11234	7.0
175.14798	24.8
175.16026	2.2
177.12785	4.5
177.16360	16.9
183.11729	7.1
185.13200	18.4
187.11205	3.9
187.14793	38.7
189.12775	5.1
189.16356	41.1
191.14307	7.5
191.17941	7.2
195.11679	3.9
197.13275	5.4
199.10971	2.0
199.14812	15.6
200.25909	1.9
201.12857	4.8
201.16382	20.6
203.14330	12.0
203.17882	12.3
205.15909	8.0
207.11713	2.1
207.13756	3.4
209.13237	4.6
209.15274	2.1
211.14925	5.9
213.16324	13.1
215.14363	8.3
215.17900	16.4
217.15797	11.2
217.19548	3.7
219.13843	3.3
219.17484	3.6
221.15347	2.4
223.14915	3.7
225.16469	3.6
227.18018	4.7
229.15929	4.8
229.19537	4.4
231.13818	2.5
231.17490	4.1
233.15315	16.5
235.14807	2.6
235.16956	7.9
239.18054	3.4
241.19521	4.8
243.21149	4.9
247.16917	4.5
249.18611	2.5
251.18132	2.3
253.19417	2.8
261.18692	3.4
267.21097	3.6
269.22833	3.5
313.99231	1.8
332.15588	2.1
387.30573	3.5
393.31525	8.7
395.33041	3.6
405.31613	16.7
421.31058	13.0
423.32730	31.4
425.34225	7.2
433.31036	10.7
439.26498	2.8
439.31821	13.5
451.32150	28.3
469.33182	100.0
470.33569	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	468.3072
Annotation	2-tetradecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.29398	0.3
54.55703	0.3
55.05486	1.4
56.05016	1.2
57.03425	0.7
57.07064	3.8
58.06594	1.3
59.89479	0.4
60.08152	17.6
67.05479	1.2
69.07052	1.5
69.58755	0.7
69.59158	2.3
71.04979	0.7
71.07358	5.1
71.08618	2.0
79.05469	0.9
81.07046	3.3
82.07396	0.4
83.04982	0.7
83.08606	0.7
85.10194	0.8
86.09689	47.7
89.05998	0.4
91.05466	0.8
93.07024	2.1
95.04984	0.5
95.08594	3.8
97.10164	0.5
98.20753	0.8
98.98428	3.2
104.10724	100.0
105.07019	2.6
105.11040	0.9
106.07323	0.7
106.82547	0.3
107.08549	2.2
109.06495	0.5
109.10133	2.3
119.08553	2.8
121.10119	2.1
123.11645	0.6
124.99981	26.9
125.09605	0.6
127.11133	0.5
129.07024	0.5
131.08540	1.1
133.10126	1.7
134.10426	0.7
135.08006	0.4
135.11700	1.1
137.94392	0.3
143.08554	0.7
145.10129	1.9
147.11679	1.0
149.13203	0.7
157.10075	1.1
159.11687	1.1
161.13188	0.5
163.01505	0.8
163.11082	0.5
163.14911	0.6
169.10133	0.5
170.10449	0.4
171.11696	1.0
173.13239	1.2
175.14767	1.0
183.11555	0.5
184.07307	94.2
185.07663	1.1
185.13232	0.9
187.14783	1.0
189.16235	0.6
195.11560	0.6
197.13232	0.6
199.14705	0.8
201.16432	0.5
203.17891	0.5
258.10989	1.2
285.24222	2.9
288.96188	0.4
405.31067	0.5
422.31506	1.1
423.32504	0.9
450.29846	10.0
451.31418	0.7
468.30847	45.4
469.32806	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
53.98759	0.4
55.01856	1.3
55.05486	1.5
57.03420	2.2
59.86108	0.4
60.08139	1.5
61.02908	0.5
67.05480	0.5
69.03063	0.8
69.03419	9.6
70.42020	1.8
70.42379	0.5
71.04988	5.3
78.71287	0.5
79.05479	0.5
80.76184	0.4
81.03407	24.0
81.07048	1.0
83.04966	4.6
83.08633	0.4
85.02865	2.0
86.09683	3.0
87.04438	0.5
87.10014	0.7
93.06993	0.6
98.09674	0.6
98.21445	0.5
99.04441	10.5
100.11259	0.6
103.03944	2.4
104.10735	9.0
105.11034	2.3
109.02874	9.0
109.10162	0.6
117.05454	2.7
118.06512	1.6
121.02853	0.5
124.99943	2.4
125.09588	0.5
127.03882	2.7
136.07494	0.9
137.87918	0.5
138.09099	0.6
145.07584	3.7
147.09138	8.5
147.25856	0.5
162.07849	1.0
163.08647	1.1
164.07072	2.4
165.09035	0.6
173.07088	7.8
175.08646	10.9
182.15303	0.8
184.05750	0.7
184.07314	8.1
185.07713	2.3
190.07428	0.8
191.08125	100.0
192.08417	1.5
193.80495	0.4
198.14799	0.7
199.08649	1.0
203.08153	1.0
204.08905	1.1
210.14818	1.1
213.10248	0.8
231.11177	1.4
233.09161	1.6
237.96515	0.4
243.11142	0.6
264.68167	0.5
271.10718	2.7
289.11789	7.6
292.59174	0.4
307.12833	33.6
325.13889	31.5
326.14197	0.9
331.12842	8.6
336.23035	0.5
349.13965	8.0
354.23761	0.7
371.15961	1.8
389.16949	3.9
391.14941	0.8
397.13922	4.7
407.17966	0.7
415.14883	13.3
416.15326	0.5
433.16000	13.7
434.16647	0.6
451.17087	16.3
469.23941	5.5
469.34055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29278	1.5
53.03946	3.7
55.01866	4.8
55.05510	9.5
57.03418	4.5
57.07062	3.3
61.02908	7.4
67.05492	12.0
69.03423	17.4
69.07056	61.1
71.04971	20.2
71.62344	3.4
73.02911	4.7
73.06544	7.7
79.05480	9.4
81.03411	15.3
81.07048	17.6
83.04971	19.6
83.08611	4.5
85.02887	22.9
85.06545	6.3
86.03278	1.8
86.09709	10.4
87.04429	3.1
91.05453	17.7
93.07028	27.7
95.04945	13.4
95.08598	27.9
97.02875	11.5
97.06519	24.5
99.04425	14.4
99.08083	3.0
101.02374	6.7
104.10726	8.2
105.05517	6.1
105.07035	8.6
107.04954	2.2
107.08579	22.0
109.02876	7.4
109.06513	4.4
109.10133	39.5
111.08060	9.6
113.05997	21.5
115.07545	100.0
118.06533	2.1
119.04956	3.2
119.08559	32.1
121.02840	34.2
121.06472	3.2
121.10120	20.4
122.07143	6.1
123.08085	3.9
123.11726	6.4
125.00003	6.9
125.09608	5.0
127.03879	4.5
127.07500	3.8
127.11174	43.5
131.07036	5.9
131.08572	4.7
133.10101	7.0
135.08081	2.8
136.07549	5.1
137.05991	9.8
137.09599	32.7
139.03899	6.9
139.07507	10.8
139.11171	8.8
141.01807	1.9
144.96301	2.2
145.04919	3.6
145.07585	3.9
145.10109	4.0
147.04384	4.0
147.08017	5.0
147.11671	6.0
149.09608	5.1
149.13246	20.6
155.10620	5.5
157.08600	2.2
157.12242	4.1
159.11707	3.8
161.09547	1.9
163.03896	2.2
163.11148	3.0
164.07022	4.4
165.07703	2.0
165.09111	7.8
165.12778	4.6
167.07039	3.1
167.10674	7.3
167.14284	49.1
169.06395	2.0
173.07121	6.2
175.14850	2.3
177.12787	2.1
184.07294	24.7
185.11749	2.2
189.16258	2.4
191.08127	77.0
197.05969	2.3
199.14825	3.7
201.11171	19.5
202.10661	1.9
205.15834	4.6
208.22684	2.2
211.07747	2.2
217.15952	9.2
223.16934	7.2
235.16837	18.0
253.14055	2.3
253.17963	21.6
257.13806	60.5
258.14240	3.3
259.09607	2.0
265.07101	3.9
271.10913	2.3
271.15378	55.7
271.18970	20.0
272.10443	5.3
275.14810	5.4
282.08203	2.3
283.08109	5.8
289.11673	4.1
289.16403	7.8
289.20074	9.9
299.01093	2.1
303.04700	2.4
304.05368	6.1
305.05457	4.9
306.05753	8.7
307.12830	56.9
325.13882	13.5
433.15982	5.3
450.22897	2.1
451.17700	3.0
468.15927	4.4
468.23450	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	468.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01859	9.1
55.05502	15.2
56.66268	0.8
56.98239	0.8
57.03428	18.8
57.06812	1.4
57.07069	18.2
57.56599	0.9
59.04978	3.2
61.02916	15.4
61.68382	1.0
67.05489	4.3
69.03419	40.9
69.06712	1.6
69.07058	21.6
69.65516	6.8
71.01346	5.1
71.04964	3.2
71.08620	4.8
72.50969	1.1
73.02905	82.3
79.05478	4.4
81.03413	8.8
81.07045	13.6
82.31012	1.0
82.46574	0.9
83.04974	3.1
83.08606	60.9
85.02891	100.0
85.06510	3.0
85.71307	0.9
87.04456	5.8
91.03938	4.0
91.05469	3.5
93.07002	5.4
94.07349	1.0
95.04943	3.5
95.08601	8.6
96.04468	1.2
96.08917	1.0
96.36679	0.9
97.02875	63.2
97.06516	2.7
97.10147	9.9
98.03148	1.2
99.04436	4.0
99.08086	2.9
101.02376	1.3
101.09662	0.9
103.03940	4.7
105.07023	7.0
107.04941	1.1
107.08577	4.9
108.08911	1.6
109.02859	10.2
109.06509	1.9
109.10131	4.2
111.04404	2.2
111.08004	1.1
115.03911	34.4
117.03325	1.2
117.06942	1.1
119.08563	5.2
121.06500	1.7
121.10133	3.9
123.04395	2.1
123.08053	1.5
123.11723	1.8
125.09646	2.3
127.03899	33.5
129.05470	1.2
131.08582	1.8
133.04942	38.2
133.10129	2.9
135.04366	1.6
135.11700	1.1
137.05914	1.3
137.09592	1.4
137.80086	1.1
139.14751	2.9
141.07072	1.1
143.08551	1.9
145.04938	45.3
145.10091	3.5
147.04396	2.2
147.11699	2.3
149.09590	1.3
149.13277	1.4
150.07542	5.9
151.11131	1.0
151.14877	1.1
155.14259	1.1
157.04895	1.5
157.10069	2.2
157.15855	62.3
158.16206	1.2
159.11668	2.7
161.09587	2.1
161.13269	1.4
162.07631	1.1
163.03915	10.4
163.05998	16.1
163.14793	2.5
165.09082	1.3
169.10036	1.1
173.13150	1.9
175.14767	1.1
181.04947	1.7
185.09711	1.1
190.07758	0.9
193.04886	2.0
198.18448	1.4
199.06036	2.7
199.14780	1.3
199.16980	1.4
205.15869	1.0
213.07535	1.2
217.06949	2.3
217.15689	1.3
223.06021	7.2
223.16962	2.1
235.16823	7.0
241.06905	7.2
241.08652	8.5
247.17041	1.8
253.17888	5.1
253.78654	1.0
259.08093	10.3
259.10022	3.5
265.18021	2.0
271.18900	4.3
277.09222	2.1
281.99692	0.9
283.19022	1.8
289.20087	1.6
295.10141	4.6
319.21063	1.8
336.23776	1.1
385.43427	1.2
438.76416	0.9
468.31757	2.0
469.29453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	2.1
57.03421	1.7
57.44852	1.4
59.05000	1.9
60.08147	4.7
61.02913	3.7
67.05497	3.7
69.01641	1.0
69.03419	6.0
69.07058	4.4
71.04967	6.1
71.07372	2.4
71.62307	1.7
73.02912	1.4
75.04036	0.9
75.04472	1.2
75.10134	0.9
79.05478	6.2
81.03416	5.9
81.07043	8.7
83.04974	6.5
83.08607	2.5
83.52524	1.1
85.02883	7.5
86.09695	28.7
87.04453	3.2
91.05477	5.9
93.07029	23.2
94.07413	1.3
95.04945	4.3
95.08591	7.7
97.02862	3.8
97.06520	2.8
97.10136	1.2
98.98476	2.7
103.05471	1.1
104.10741	4.9
105.05494	5.9
105.07014	4.7
107.08576	11.4
109.06510	1.6
109.10133	9.0
110.07156	2.2
110.10306	1.3
111.08099	2.0
113.05986	4.9
117.03386	2.7
117.37379	1.2
119.08571	4.6
121.02891	2.0
121.10128	26.6
123.11698	2.3
124.07599	3.4
124.99984	19.8
125.09640	3.8
127.03899	3.2
127.11164	15.1
130.08655	2.3
131.07019	2.5
131.08539	4.8
133.10129	3.3
135.11638	1.8
136.07571	3.6
137.05994	2.3
137.09596	2.3
138.09134	3.9
139.11172	4.6
142.08656	2.5
143.00977	1.1
143.10670	1.7
144.62558	1.1
145.02831	11.2
145.04866	1.7
145.10100	2.5
147.04439	2.0
147.09164	2.5
147.11700	1.9
149.05957	1.6
149.09589	10.8
149.13231	6.9
152.07043	2.2
155.10596	1.5
157.12218	3.3
159.11690	1.2
164.07059	6.1
167.10661	7.1
167.14284	17.9
177.05457	23.5
184.07320	100.0
185.07607	1.9
191.08066	2.0
205.15950	1.2
217.15852	3.3
223.16943	2.2
235.16902	5.2
253.17932	11.3
271.19049	10.9
289.15277	1.3
289.20096	4.8
293.13672	2.4
295.07056	1.3
311.14835	9.7
339.10645	1.8
418.51669	1.3
425.19055	1.4
449.79333	1.2
468.15393	6.3
468.23080	8.4
469.18073	3.2
491.33435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01878	1.9
55.05496	8.6
57.03430	4.6
57.07057	3.1
59.04986	3.3
60.08148	7.4
61.02912	10.6
66.06700	1.6
67.05482	6.3
69.03413	12.9
69.07068	9.1
71.04622	2.6
71.04980	14.7
71.07346	2.5
71.62473	3.1
73.02906	3.4
73.06554	2.4
75.04463	2.4
79.05480	12.2
81.03413	9.8
81.07053	17.4
83.04967	12.6
83.08605	3.3
85.02907	12.5
85.06544	2.8
86.09703	31.1
87.04450	4.0
89.03905	3.1
90.68649	2.0
91.05476	8.2
93.07038	51.9
95.04939	10.0
95.08598	16.4
97.02872	8.2
97.06543	3.9
98.98438	3.1
99.04433	3.6
99.08078	2.0
104.10732	6.2
105.05495	10.3
105.07015	9.5
107.08588	22.7
109.02861	7.7
109.06517	4.4
109.10152	21.0
110.07117	3.7
111.04366	2.1
111.08076	6.1
113.05959	11.5
115.07578	1.7
117.03368	8.7
119.08566	11.7
121.02862	2.4
121.06522	1.9
121.10127	61.7
123.08035	3.2
123.11686	5.6
123.16250	1.9
124.07574	4.9
124.99973	20.4
125.09576	9.1
127.03912	7.9
127.07513	3.3
127.11170	31.4
130.08627	4.5
131.07004	6.1
131.08554	6.9
133.10129	4.4
135.11667	2.2
136.07516	10.8
137.05978	5.2
137.09610	5.9
138.09132	5.0
139.11168	6.7
143.08867	3.5
143.10638	4.2
143.56310	2.0
145.02853	20.2
145.04933	2.6
145.10135	2.9
147.04388	3.8
147.09149	7.0
147.11668	5.8
148.19760	1.9
149.05965	2.6
149.09607	24.1
149.13248	12.0
152.07033	6.5
155.10677	3.2
157.10106	3.0
157.12244	5.6
158.08076	2.0
161.09563	2.5
163.03906	2.0
164.07059	18.6
165.09059	2.1
165.12698	2.5
167.10658	18.0
167.14297	38.6
169.07620	1.8
175.14868	2.3
177.05452	55.2
184.07321	100.0
191.08156	4.3
205.15883	2.1
217.15829	6.8
235.16872	11.8
253.17924	21.0
271.19037	23.7
275.12814	2.2
283.15927	2.0
289.20038	9.0
293.13828	4.4
295.07050	2.9
311.14838	21.6
339.10840	3.8
403.51556	2.1
425.18906	2.4
463.49753	2.2
468.15729	11.4
468.22601	11.9
469.17868	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	468.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01865	1.0
55.05501	2.3
57.03428	1.2
67.05497	16.0
69.03428	5.1
69.07064	1.0
70.26160	2.5
71.04990	1.4
79.05484	2.2
81.03413	14.9
81.07042	9.3
83.04984	1.0
85.02882	4.2
91.05448	1.8
93.07030	3.2
95.04940	2.7
95.08611	7.7
97.02879	3.9
97.06503	1.8
99.04434	2.5
99.08031	1.0
104.10736	1.4
105.06992	1.3
107.08572	2.9
109.02869	15.7
109.06474	1.1
109.10146	41.2
110.10494	1.1
111.04399	1.2
111.42256	0.9
119.04901	1.6
119.08554	3.0
121.02840	2.1
121.10155	2.1
123.04430	3.2
123.08120	1.1
124.07545	1.1
125.05968	2.8
127.03907	8.0
135.08035	2.4
137.06024	7.1
137.09601	100.0
138.05424	1.2
138.09975	1.5
139.03868	2.1
147.04385	2.8
151.03934	0.9
155.10661	6.6
161.05977	1.0
163.03920	1.8
165.09096	93.9
166.09476	1.2
173.06009	1.0
177.05466	2.4
179.07024	2.0
183.10165	7.8
201.11206	12.7
213.09061	1.5
215.07022	1.3
221.27098	0.9
231.21208	1.1
241.08546	1.0
253.17981	1.0
259.09689	3.4
291.08908	1.9
291.12125	10.5
309.13284	69.9
310.13693	1.7
327.14316	16.8
345.15378	3.4
415.19385	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58240	1.3
53.03944	3.4
55.05499	4.1
57.03426	5.2
58.23359	1.3
59.52377	1.3
61.02918	4.2
61.77084	1.5
62.19004	1.3
67.05490	4.7
69.03415	14.2
69.07056	3.8
70.91011	3.0
70.91358	1.6
71.04997	6.3
75.04464	5.5
76.27062	1.3
79.05489	18.4
79.57549	1.3
81.03416	12.1
81.07046	11.0
83.04971	6.9
85.02899	12.6
85.06545	1.7
86.06013	1.4
86.09703	4.4
87.04453	5.2
91.05470	13.8
93.07031	81.9
95.04961	7.0
95.08581	8.4
97.02887	9.5
97.06501	2.0
97.10105	1.6
99.04449	4.1
104.10744	1.8
105.05490	8.8
105.07004	11.2
107.08584	25.0
109.02858	7.3
109.06544	2.8
109.10133	13.1
110.07160	1.7
111.08070	5.6
111.11723	1.9
113.06006	7.0
117.03371	3.0
119.08563	11.8
121.02882	1.9
121.06469	2.7
121.10127	100.0
122.10478	1.8
123.11712	5.0
124.99984	3.2
125.05968	1.7
125.09612	2.2
127.03878	7.6
127.11169	20.0
130.08672	2.4
131.07034	3.4
131.08524	8.1
133.10106	3.1
135.11633	1.6
136.07550	2.5
137.05971	2.8
137.07918	2.4
137.09593	2.6
139.11165	9.5
143.10689	2.3
145.02818	9.2
145.04973	3.8
145.10109	2.2
147.04359	2.3
147.09155	4.3
147.11667	2.8
149.09598	37.1
149.10724	2.6
149.13211	7.7
152.07060	2.9
153.57898	1.4
157.10132	1.8
157.12196	3.9
163.11226	1.7
164.07039	5.0
167.10666	37.3
167.14293	21.9
167.15573	2.2
177.05482	18.5
184.07277	10.7
189.16272	1.8
191.08231	2.3
217.15901	3.0
235.16931	5.6
253.17900	9.7
271.15881	1.5
271.19034	9.2
283.15460	2.0
289.20056	4.4
293.13754	7.9
311.14835	43.6
407.18256	1.9
422.14252	1.6
468.15283	5.2
468.22574	2.8
469.17996	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	468.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
55.01866	9.7
55.05506	4.8
55.15875	2.0
57.03427	3.0
60.84457	2.1
67.05495	16.3
69.03414	16.9
69.07054	9.2
70.06580	13.3
71.04981	10.3
71.11565	4.5
73.02895	3.7
79.05487	10.4
81.03412	28.2
81.07035	24.5
83.04998	3.1
83.08604	2.2
85.02897	20.5
85.06548	6.4
85.07613	2.0
86.09705	6.9
91.05456	10.1
93.07042	24.3
94.06553	4.1
95.04970	9.5
95.08583	14.9
97.02869	11.7
97.06503	10.2
99.04437	13.9
104.10741	6.9
105.03381	25.5
105.07018	18.7
107.04921	3.6
107.08575	33.8
109.02866	27.5
109.06477	10.5
109.10151	26.3
110.06002	2.3
111.08066	9.1
112.07603	12.8
113.05995	4.5
117.07024	2.2
119.04906	4.4
119.08558	11.4
120.08108	2.8
121.02856	16.7
121.06468	11.3
121.10124	25.5
122.06036	7.6
123.04401	3.4
123.08054	6.0
123.11735	2.8
124.07613	2.6
124.99958	3.6
125.02387	2.6
125.05991	3.2
125.09604	3.7
127.03911	26.6
127.07568	3.2
130.06494	2.2
131.08511	4.6
133.10141	3.3
135.08040	8.0
135.11707	11.5
137.05940	3.1
137.09596	30.3
139.03874	2.3
139.11174	3.9
140.07056	16.2
142.04979	3.0
145.02846	3.1
145.04918	4.9
145.10094	25.0
147.04416	22.5
147.11626	5.2
149.05980	2.6
149.09578	11.8
151.07535	5.1
155.10667	5.8
158.08121	16.7
163.03897	4.7
163.07431	2.7
163.11160	53.1
164.11464	3.4
165.09093	28.4
167.10655	20.0
169.08588	54.5
173.09532	3.4
177.05472	6.4
181.12204	12.9
184.07356	9.1
185.11742	4.5
191.10612	24.8
201.11234	4.7
202.07112	7.5
209.11731	32.1
215.07037	4.3
227.12755	100.0
245.13904	5.7
249.07559	7.5
253.18141	2.4
259.09668	9.6
269.13840	7.6
271.19040	3.6
277.10577	3.7
289.14453	3.0
303.26520	2.4
304.12741	3.0
305.06131	2.4
309.13187	15.9
317.13748	2.6
327.14380	3.4
335.14835	6.5
349.92072	2.4
353.15863	35.7
371.16953	28.5
389.18140	3.9
443.00568	2.1
468.22626	5.6
468.31561	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	468.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
56.05026	0.5
57.03428	0.4
58.06353	0.3
58.06611	0.5
60.08156	5.6
67.05492	0.4
69.03411	0.4
69.07048	0.3
70.06596	0.2
70.50958	0.3
71.04992	0.2
71.07360	2.4
79.05496	0.3
81.03397	0.4
81.07050	0.9
83.04945	0.2
83.08631	0.3
85.02904	0.6
86.09693	28.3
91.05474	0.4
93.07018	0.3
95.08585	0.4
98.98439	1.8
104.10727	3.3
105.07027	0.5
107.08585	0.2
109.10145	0.3
119.08636	0.2
121.10134	0.7
124.99989	20.2
125.09655	0.2
127.03928	0.5
136.07565	0.5
137.09644	0.2
139.11151	0.3
145.02821	0.5
145.04907	0.2
149.09668	0.3
152.07068	0.2
157.12199	0.4
164.07056	0.5
177.05457	0.8
184.07314	100.0
185.07652	0.6
187.27090	0.2
271.18951	0.2
450.22437	1.3
468.23532	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	468.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01878	1.0
55.05492	1.6
56.05013	0.7
57.03413	1.5
58.06590	1.3
59.07360	0.6
60.08152	16.3
67.05488	2.8
69.03424	4.1
69.07049	1.1
69.39162	4.1
69.39572	1.0
70.06564	1.7
71.04975	2.0
71.07364	5.1
73.02898	0.6
79.05463	1.7
81.03405	10.8
81.07032	2.2
83.04957	2.3
83.08599	0.8
85.02894	3.8
86.09689	48.1
87.10003	0.7
91.05455	2.0
93.07012	1.2
95.04966	1.3
95.08582	1.1
97.02893	0.5
98.98456	2.7
99.04429	4.3
103.03899	0.6
104.10724	100.0
105.07001	1.6
105.11038	0.7
107.08550	1.1
109.02866	6.0
109.10145	3.4
110.10452	1.0
112.07594	1.8
118.06538	0.6
119.08578	1.6
121.02831	0.8
121.10130	0.8
124.99983	24.7
127.03920	1.2
133.10101	0.6
136.07457	0.8
137.09583	5.3
138.09993	2.6
140.07053	1.4
143.01080	0.5
145.07582	1.3
147.09152	2.4
147.11655	1.0
149.09599	0.7
157.12289	0.8
163.01479	0.5
164.07014	1.2
165.09109	3.4
166.09409	2.2
167.31262	0.5
173.07043	3.1
175.08603	3.3
184.07306	91.3
185.07625	0.6
191.08125	37.0
193.12241	0.7
201.11201	0.9
203.08180	0.4
232.42517	0.5
235.63144	0.5
253.17819	1.1
258.11172	0.6
259.09732	0.5
267.68292	0.5
271.11053	0.6
271.19131	1.3
289.11688	2.9
297.75537	0.5
304.05273	0.8
305.05426	1.1
306.05936	1.0
307.12842	13.5
309.13345	0.7
310.13522	2.9
313.90717	0.6
322.42273	0.5
325.13873	13.7
328.14767	0.9
331.12750	3.0
349.13803	3.4
371.15771	0.9
389.17114	1.7
391.15009	0.7
397.13892	1.4
407.18024	1.1
415.14902	5.5
433.15894	6.6
450.22473	7.6
451.17056	7.2
468.23511	52.6
469.23749	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	467.315
Annotation	Stellettin K
Peak:m/z	Relative Intensity
50.65277	1.5
53.03937	5.1
55.01858	4.2
55.05500	17.1
57.03430	6.7
57.07063	4.1
61.02925	3.6
65.03938	2.6
67.05498	20.1
69.03419	18.7
69.07059	26.1
69.70300	10.7
71.01324	1.7
71.04987	5.8
71.08601	1.7
73.02901	6.9
77.85042	1.5
79.05488	22.4
80.75776	1.3
81.03415	9.3
81.07049	77.9
81.63903	1.6
82.07388	13.0
83.04975	6.2
83.08594	8.3
85.02901	21.3
85.06548	5.6
86.03249	2.5
87.00800	2.6
87.04472	2.4
91.05468	23.4
93.07034	41.4
94.07381	1.8
95.01314	10.1
95.04948	12.3
95.08595	54.1
96.08938	5.1
97.02873	10.6
97.06527	22.7
97.10163	11.2
98.03188	1.6
99.04467	4.3
99.08046	2.5
103.03921	2.3
103.05424	3.4
105.07022	45.7
106.07338	1.5
107.04949	2.2
107.08582	49.0
107.09275	3.2
109.02880	7.0
109.06519	9.7
109.10140	29.1
111.04448	3.3
111.08074	7.5
111.11688	2.2
113.09648	1.5
115.03940	5.8
117.07009	8.4
119.04946	5.5
119.08567	71.3
121.02870	2.8
121.06504	12.1
121.10127	30.3
123.04440	7.4
123.08092	7.5
123.11700	10.7
125.05960	1.9
125.09609	8.8
127.03905	8.6
127.11185	4.2
128.06229	2.2
129.07005	6.0
130.07797	3.3
131.04926	4.8
131.08553	29.9
133.04985	6.6
133.06490	2.1
133.10121	40.3
134.05276	2.0
135.04393	2.1
135.08069	7.5
135.11682	16.5
137.05975	5.3
137.09596	3.6
137.13257	10.7
138.13583	7.1
139.03937	2.1
139.07593	1.6
139.11165	6.7
142.07803	6.1
143.08560	15.1
143.10732	3.2
144.09363	2.8
145.02904	2.2
145.05003	5.6
145.10098	44.8
146.05368	2.3
146.10605	1.6
147.04390	9.8
147.08069	5.6
147.11667	29.4
147.12758	2.4
148.12048	1.7
149.05911	1.8
149.09592	10.3
149.13248	16.2
151.03899	8.3
151.07498	3.3
151.11168	3.0
153.09189	2.0
155.08591	5.2
155.14307	5.0
156.09343	5.9
156.14677	2.7
157.10100	24.2
157.12204	2.6
158.10959	1.8
159.06842	1.6
159.08083	5.8
159.11676	37.8
159.12982	1.9
161.09602	10.7
161.13234	20.9
163.03897	10.0
163.06158	2.0
163.07549	3.5
163.11182	9.3
163.14850	8.1
165.05469	11.6
165.09111	2.8
165.12758	6.2
167.06987	1.7
169.10136	7.2
170.10936	2.7
171.11658	19.5
172.12177	1.8
173.02370	5.0
173.09605	7.1
173.13234	27.8
175.11180	7.3
175.14786	20.1
176.06985	3.8
177.05466	4.6
177.09073	2.4
177.12753	14.8
177.16388	7.0
179.03394	1.8
179.08606	1.5
181.10135	3.3
182.10991	1.5
183.10304	2.1
183.11687	8.3
184.07335	1.7
184.12456	2.2
185.07617	2.3
185.09637	2.0
185.13211	15.8
187.11237	4.5
187.14804	25.3
188.15224	1.8
189.09196	2.2
189.12730	12.7
189.16388	11.4
191.03401	7.2
191.14258	14.1
193.12257	1.8
193.15799	2.8
195.11743	3.1
197.13249	7.1
199.11186	2.0
199.14815	13.6
201.12738	4.0
201.16376	27.2
203.14267	15.2
203.18004	4.4
205.15869	2.7
207.11978	1.8
207.13739	8.4
209.13293	3.3
211.14923	6.3
213.12883	3.2
213.16342	15.4
215.07071	6.4
215.14317	7.9
215.17976	6.6
217.15923	4.9
219.10255	3.5
219.13869	4.2
219.17493	2.6
221.13361	2.9
221.15431	7.5
223.14896	2.3
225.16406	4.3
227.14397	1.9
227.17967	5.8
229.15912	5.3
229.19548	6.7
231.17491	3.8
233.15343	8.1
239.14386	2.1
241.19551	4.4
243.17525	2.0
245.15399	4.7
247.16914	11.5
253.19550	3.1
255.21031	2.3
259.09647	24.5
259.16977	5.6
259.20761	1.7
261.18771	3.0
267.21143	3.0
270.17816	2.7
271.17099	2.2
273.18573	3.3
287.20096	10.1
287.23740	4.3
303.05014	1.7
305.21292	2.4
305.24762	6.0
317.06921	1.6
327.09055	2.1
327.19580	1.8
385.29083	2.2
391.29987	11.3
403.29916	11.5
419.29468	5.2
421.30975	35.4
423.32562	5.7
431.29327	7.9
437.30524	14.2
449.30380	15.2
467.10013	2.4
467.31555	100.0
468.31778	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	467.3149
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.44516	2.1
55.01866	3.5
55.05500	18.6
57.03437	3.4
57.07060	3.3
65.03935	2.2
67.05482	28.7
69.03402	15.1
69.07053	26.5
71.04996	6.1
71.62568	3.0
79.05476	23.5
81.03432	6.9
81.07037	53.2
83.04983	10.5
83.08615	8.7
83.21063	2.2
85.02918	7.8
85.06546	5.5
91.05460	31.0
93.07026	48.6
95.04932	12.0
95.08585	60.6
95.09147	3.4
97.02905	3.6
97.06516	12.6
97.10155	7.9
105.07007	56.5
105.07660	4.1
107.04987	3.1
107.08574	57.4
109.06496	14.6
109.10128	33.6
111.04396	3.0
111.08089	7.4
117.07037	10.4
119.08556	91.7
120.21053	2.2
121.06524	8.2
121.10123	36.4
122.10446	2.6
123.04447	5.6
123.08096	6.9
123.11697	12.3
125.09707	4.3
127.03887	5.7
128.06232	5.0
129.07016	9.4
130.07799	2.9
131.08536	42.5
133.10110	43.6
135.08028	11.6
135.11664	17.1
137.05980	5.5
137.09634	6.8
139.03931	7.4
139.07585	3.2
139.11212	3.4
141.07033	6.1
142.07794	6.5
143.08543	28.4
145.06520	3.8
145.10098	56.8
147.04454	4.5
147.08035	5.6
147.11667	29.3
147.12585	2.8
149.09634	11.6
149.13254	14.5
151.03867	4.2
151.07527	2.8
151.11172	4.1
153.09102	3.4
154.08571	2.5
155.08502	12.5
156.09416	9.1
157.10114	30.6
159.08104	6.7
159.11650	41.1
159.12819	3.2
161.09550	13.0
161.13211	20.1
163.03967	2.9
163.07559	3.6
163.11246	10.0
163.14769	16.8
165.09102	3.8
165.12746	3.0
169.10091	18.2
170.10951	3.6
171.11664	31.3
173.09697	9.9
173.13223	27.6
175.03922	5.3
175.11177	13.1
175.14786	31.6
175.16217	2.5
176.04663	5.3
177.09169	3.2
177.12840	8.8
177.16440	10.7
179.08548	3.3
179.10756	3.3
181.10159	3.9
183.11691	17.6
185.09633	3.7
185.13245	18.2
187.11195	7.9
187.14783	30.1
189.09148	3.8
189.12704	12.5
189.16335	14.8
191.10686	3.4
191.14380	6.3
191.18031	3.1
193.10173	5.6
193.12244	4.9
195.11749	8.4
195.13623	2.4
197.09740	2.8
197.13219	15.5
199.11201	3.4
199.14810	15.3
201.12854	5.4
201.16362	24.8
203.10789	2.7
203.14293	19.2
203.17998	8.7
205.15881	3.3
207.11761	5.1
207.13821	3.2
209.13322	8.4
211.14821	11.8
213.12819	3.2
213.16335	14.7
215.14268	21.1
215.18005	6.3
217.06784	2.7
217.08519	13.1
217.12254	3.6
217.15968	4.8
219.10225	10.5
219.13853	4.2
221.13367	3.7
221.15382	4.3
223.14798	5.7
225.16389	6.1
227.14362	6.0
227.18019	9.8
229.15929	8.6
229.19525	5.1
231.13754	4.3
231.17316	5.0
233.15387	16.9
235.14873	3.3
235.17091	3.0
237.16460	4.5
239.18033	7.3
241.16003	2.9
241.19450	4.6
243.17511	2.9
245.15346	11.0
247.16943	11.9
251.18039	7.1
253.19508	14.8
255.17456	2.8
259.17032	6.9
263.18042	2.7
265.19565	5.3
267.21213	4.7
273.18607	6.8
279.21164	5.0
281.19437	2.4
285.18433	2.8
295.20718	4.4
297.18631	4.4
299.20239	6.3
307.20731	5.4
313.21808	3.6
319.24307	4.0
325.21548	25.0
327.23468	2.4
356.56647	2.6
375.30890	3.2
385.29358	6.9
391.30142	11.3
393.32053	2.6
403.29980	21.4
405.31595	5.1
419.29306	15.9
421.30933	70.5
423.32718	4.3
431.29703	13.5
437.30429	17.2
449.30536	34.9
467.20825	5.0
467.31717	100.0
468.32050	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	467.3149
Annotation	Stellettin K
Peak:m/z	Relative Intensity
52.07080	1.3
53.03928	1.5
55.05500	7.8
57.07084	1.8
57.51303	1.3
59.34699	1.1
65.03942	1.4
67.05498	9.4
69.03426	2.1
69.07058	8.0
70.87870	4.5
71.04964	1.5
79.05486	11.3
81.07046	23.9
83.04980	2.3
83.08595	3.6
85.06501	1.5
91.05460	15.6
93.07033	25.0
95.04963	3.0
95.08591	29.4
96.80058	1.2
97.06520	3.9
100.93514	1.1
105.07014	34.1
107.08581	30.7
109.06499	9.8
109.10134	10.9
111.08039	2.9
115.05451	1.5
117.07018	7.3
119.08565	61.4
121.06516	7.8
121.10126	23.2
123.08055	5.5
123.11687	3.3
125.09643	1.2
127.07496	2.0
128.06218	2.2
129.06966	4.4
130.07826	1.6
131.08549	24.5
133.06505	2.1
133.10117	30.3
135.08051	7.0
135.11670	10.4
137.09622	4.2
139.07573	1.8
141.06932	2.0
142.07767	4.1
143.08542	16.6
144.09317	2.0
145.10114	47.2
147.08073	3.2
147.11668	20.7
148.08731	1.2
149.09581	9.4
149.13229	4.8
151.11172	2.3
155.08582	6.1
156.09354	5.0
157.10097	21.4
158.10918	3.4
159.08069	2.4
159.11671	29.3
161.09593	7.0
161.13235	19.8
163.07481	1.7
163.11157	5.3
163.14789	7.7
165.12692	1.8
167.08470	1.3
167.10738	1.4
169.10126	8.3
170.10924	4.2
171.11650	15.7
173.09552	3.7
173.13231	26.6
174.13855	1.2
175.11154	6.9
175.14804	23.9
177.12733	4.9
177.16376	6.8
181.10161	1.6
182.10910	3.0
183.11626	8.4
184.12549	1.9
185.03922	1.3
185.09589	1.4
185.13214	21.8
187.11209	4.4
187.14793	38.1
187.16425	2.5
187.85336	1.3
188.15068	1.7
189.12714	8.8
189.16342	12.0
191.14307	8.3
191.17909	1.5
193.12108	2.1
195.11690	4.2
197.13263	10.6
199.14789	19.8
201.12730	3.5
201.16359	33.1
203.14323	18.8
203.17950	5.1
205.15901	3.1
207.13783	5.9
209.13315	2.7
209.15329	2.0
211.14769	8.1
213.12915	2.1
213.16331	16.5
215.14232	9.6
215.17928	4.7
217.15831	9.1
219.13771	3.3
221.13292	2.3
221.15366	8.7
223.14790	3.3
225.16235	3.0
227.14293	3.3
227.17957	5.7
229.15880	5.0
229.19341	2.4
231.13797	1.9
231.17418	2.0
233.15298	7.8
235.16888	3.2
237.16339	1.7
239.17961	2.7
241.19569	3.3
245.15320	8.8
247.16896	14.4
251.17998	2.5
253.19502	3.9
257.15512	1.9
259.16895	4.9
267.21069	3.1
269.18958	1.3
269.22763	1.4
273.18536	2.0
279.21045	1.4
285.18314	2.0
287.23596	1.4
299.20276	1.9
303.21008	1.5
326.25681	1.8
327.23236	1.8
336.10291	1.5
353.25076	1.6
385.28702	1.4
391.29910	16.7
393.31644	2.7
403.29977	13.1
405.31812	2.0
419.29413	8.0
421.30991	54.5
422.31299	2.2
423.32648	8.5
431.29230	7.9
437.30539	21.7
449.30444	19.1
450.30655	1.4
467.31555	100.0
468.31857	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	467.3149
Annotation	Stellettin K
Peak:m/z	Relative Intensity
51.07911	1.3
53.03955	1.2
55.05502	11.1
57.07070	2.3
65.03937	1.5
65.93080	1.0
67.05494	16.0
69.03419	3.2
69.07050	12.1
70.06552	1.5
70.74765	4.5
71.04972	2.3
71.96938	1.1
79.05489	13.3
81.03413	2.2
81.07040	32.5
83.04958	7.3
83.08612	6.1
85.06523	1.9
91.05473	13.7
93.07029	25.3
95.04957	14.3
95.08591	29.4
97.06525	5.5
97.10155	1.8
98.99493	1.2
99.04443	1.3
99.08091	2.7
103.05434	1.5
105.07014	29.9
107.08579	32.2
109.06487	7.9
109.10141	22.1
111.04459	1.3
111.08047	4.8
113.06007	3.7
117.06982	6.9
119.08559	48.4
121.06522	3.6
121.10115	20.4
123.08051	5.1
123.11702	5.1
125.05959	2.8
125.09657	2.9
127.07584	2.3
128.06166	1.5
129.06998	5.2
130.07777	1.7
131.08540	24.0
133.06544	1.4
133.10104	28.9
133.11061	2.1
135.08070	4.5
135.11658	12.6
137.09570	8.3
137.13249	2.8
139.03926	1.8
139.07530	2.6
141.06982	1.9
142.07785	4.4
143.06969	1.9
143.08545	15.3
144.09323	2.1
145.06432	1.6
145.10092	35.4
147.08041	2.6
147.11665	16.9
149.05948	1.5
149.09595	5.1
149.13248	6.2
151.07574	1.2
151.11198	5.3
153.09108	6.0
154.07697	1.3
155.08595	5.9
156.09354	3.8
157.10118	20.5
158.10886	2.0
159.08025	1.8
159.11671	27.7
161.09615	5.1
161.13234	17.4
163.11200	2.5
163.14799	7.6
165.09161	3.4
167.08574	2.6
167.10678	3.6
169.10075	9.7
170.10910	4.0
171.11659	19.3
173.09621	3.3
173.13237	20.5
175.11221	4.5
175.14806	12.6
177.09090	2.3
177.12743	2.4
177.16405	3.6
179.08572	1.6
181.10123	5.0
182.10854	2.2
183.11629	10.2
184.12305	1.3
185.13249	22.2
187.11169	2.0
187.14780	25.3
189.12793	3.0
189.16331	10.0
191.10617	3.2
191.14240	6.3
193.04939	2.7
193.10316	2.5
193.12271	3.6
193.15953	1.3
195.11690	6.0
197.13257	13.4
199.11186	1.9
199.14798	25.2
200.15564	1.5
201.12767	3.4
201.16336	13.2
203.14328	5.5
203.18015	4.1
205.15955	3.5
207.11786	2.2
207.13753	3.0
209.13290	5.3
211.11296	1.5
211.14816	6.0
213.12732	3.4
213.16283	12.1
215.10901	1.6
215.14290	6.3
215.17931	3.0
217.12328	1.7
217.15910	4.8
219.11899	2.0
219.13852	4.3
221.13272	2.6
221.15416	4.5
223.14896	5.1
225.16452	5.3
227.14307	3.0
227.17981	4.1
229.15977	3.8
231.13766	3.0
231.17485	3.1
233.13295	2.1
233.15479	3.7
235.14886	2.7
235.16888	1.8
237.16360	3.9
239.14178	1.6
239.18015	4.7
241.19536	2.5
243.13776	1.5
245.15395	6.7
247.17036	5.2
249.18582	3.0
251.17998	2.3
253.19452	2.9
255.21103	2.0
257.26700	1.7
259.17050	3.9
265.19638	2.0
267.17499	1.6
273.18564	2.8
279.21194	1.8
325.21823	2.3
333.25958	1.5
353.24432	1.5
365.24811	1.8
385.28622	2.8
391.26044	2.2
403.29916	16.3
405.32156	1.7
419.29526	3.1
421.31061	30.3
423.08517	2.8
423.32510	2.8
431.30139	5.8
435.27383	4.4
437.30521	4.4
449.30521	34.3
449.36517	3.0
467.11475	2.7
467.31583	100.0
468.31702	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	467.315
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03939	1.3
55.05504	5.8
57.07061	1.3
58.35852	1.1
65.03944	1.2
67.05497	9.3
69.03433	2.6
69.07073	9.2
71.04993	2.7
71.62708	1.6
79.05492	8.6
80.16384	1.0
81.07048	18.3
83.04977	4.5
83.08636	3.6
84.84428	1.0
85.06567	1.1
91.05473	8.4
93.07030	16.6
93.16322	1.0
95.04969	4.3
95.08595	15.1
97.06530	7.1
97.10199	1.4
101.59286	1.1
103.34904	1.1
105.07030	21.1
107.04987	1.0
107.08585	21.9
109.05814	1.1
109.06539	4.1
109.10136	11.3
111.08081	3.3
117.07043	4.0
119.08574	26.3
120.08933	1.2
121.06511	4.3
121.10139	14.6
123.04439	2.9
123.08073	3.4
123.11726	3.6
125.09596	2.5
125.56670	1.4
129.07016	3.4
130.07864	1.7
131.08549	13.9
131.09355	1.4
133.06548	1.2
133.10114	16.5
135.08075	3.3
135.11710	8.4
137.09631	1.9
139.03925	4.4
141.06993	1.2
142.07794	1.6
143.08556	8.8
145.10098	19.0
147.08029	2.2
147.11685	13.6
149.09665	3.1
149.13260	5.9
151.11124	1.4
155.08578	5.0
156.09372	2.4
157.10127	10.7
159.08054	2.8
159.11697	11.6
161.09642	3.4
161.13261	9.0
163.03922	1.1
163.11238	1.3
163.14890	3.6
165.12804	1.3
167.08592	2.4
168.09467	1.6
169.10120	7.7
170.10895	1.2
171.11687	11.8
173.09688	3.0
173.13257	11.1
175.11226	5.1
175.14796	8.0
177.12805	2.6
177.16396	2.3
179.08540	1.7
181.02635	1.3
181.10130	3.0
183.11674	6.6
185.09604	1.5
185.13243	7.6
187.11240	4.7
187.14799	10.6
189.12784	3.6
189.16321	6.0
191.14320	2.0
191.18002	1.6
193.10117	1.2
195.11787	3.3
197.13242	7.6
199.14835	7.8
201.09286	1.3
201.12788	4.0
201.16389	5.4
203.14337	3.8
203.17989	2.0
207.11742	2.0
207.13774	1.4
209.13306	3.2
211.11395	1.6
211.14859	4.9
213.12833	2.0
213.16270	5.1
215.14272	5.1
217.16017	2.8
219.10156	2.9
219.11987	1.2
221.13373	1.5
221.15416	2.1
223.14862	4.6
225.12793	1.2
225.16443	1.9
229.15977	2.6
231.13847	2.2
233.13361	1.4
233.15463	4.0
235.14943	3.1
237.16406	2.9
239.18037	4.3
241.15916	2.1
241.19604	3.9
245.15445	1.6
247.17036	1.8
251.18117	2.0
253.19620	2.1
259.17026	2.8
273.18661	1.4
287.16391	1.4
291.21048	1.4
301.18289	1.4
323.20016	1.6
325.21552	1.3
363.26950	1.3
367.22983	1.9
385.29016	2.6
391.29987	2.1
403.30176	7.4
411.09491	1.7
419.29779	2.3
421.31207	13.2
431.29675	5.5
437.30811	4.5
439.14395	1.6
449.30582	34.6
467.13168	2.6
467.31714	100.0
468.31909	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	467.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05501	1.6
56.96552	1.0
57.03424	2.3
61.02911	2.2
65.83797	0.7
69.03416	6.8
69.07023	0.7
71.04989	0.7
71.61130	0.8
71.61526	0.8
73.02905	1.5
73.06506	0.8
76.62888	0.7
77.00893	1.2
79.37183	0.7
80.93079	0.6
81.03414	4.1
81.07043	1.8
82.99858	0.9
85.02416	1.2
85.02895	15.4
85.06499	0.7
86.03246	1.1
87.04459	1.7
87.26591	0.7
91.03957	1.5
91.05464	1.7
94.99865	0.7
95.04972	2.0
96.33458	0.7
97.02875	7.3
98.97585	1.7
99.04427	1.7
99.08079	4.0
101.00830	4.1
102.35976	0.8
103.02401	1.6
103.05479	1.1
103.10703	0.7
105.07019	1.3
107.04921	1.1
109.02873	1.9
111.04443	1.5
112.07553	0.8
113.00894	0.9
115.02403	1.9
116.98603	1.4
117.03996	1.7
118.01178	0.8
119.01906	19.0
119.04916	1.6
121.02834	6.4
121.03413	0.7
121.06490	15.4
122.06812	1.4
123.04414	7.0
127.02454	1.0
127.03890	5.9
128.04266	0.8
129.03961	1.2
131.01894	13.0
131.05577	2.1
132.95799	1.1
133.03528	4.5
135.05042	2.5
136.06190	0.9
137.02986	1.9
137.05962	2.2
138.09119	4.9
139.03946	1.3
140.03358	1.2
143.01877	22.3
143.03087	1.2
143.05591	1.3
144.02000	1.3
145.01671	1.3
145.03484	7.9
145.04944	4.0
145.06042	0.9
145.07068	5.3
147.01402	1.2
147.04208	1.3
147.05034	3.1
149.02237	7.0
149.06689	3.6
151.04637	0.9
151.07581	0.8
153.01801	8.7
155.01884	11.5
155.05565	0.9
156.02782	1.6
157.03452	4.5
157.07108	1.1
158.97404	1.2
159.05057	1.9
160.07532	1.0
161.02940	40.4
161.06804	1.4
162.03119	1.6
162.05449	1.2
163.02713	1.1
163.03955	4.4
163.08130	15.3
165.05865	1.0
167.03378	1.8
167.07010	5.9
169.03459	1.3
169.06979	1.0
171.05035	5.2
173.02939	17.8
173.06578	11.8
174.06741	1.2
174.96881	3.4
175.02812	1.6
175.04500	4.4
175.08173	11.8
177.05638	2.6
180.00812	0.8
181.08670	1.9
183.05029	3.6
184.04578	2.1
185.03008	3.2
185.06567	13.9
187.04564	1.6
187.08127	12.3
189.02443	1.0
189.06084	3.7
190.04887	1.3
191.07605	4.9
193.09155	3.1
195.02904	2.8
197.06557	1.7
199.08130	13.9
200.08287	0.9
201.06088	3.9
201.09717	2.9
203.04016	7.2
203.07620	10.1
204.07838	1.1
205.09192	1.7
207.03406	1.0
209.06483	1.1
211.08170	3.4
213.05798	2.9
213.09598	3.9
215.07626	7.0
217.07124	1.8
217.09186	26.8
217.11241	1.5
218.09386	1.1
219.01712	1.3
219.07825	1.9
221.05020	29.0
222.05212	2.4
223.08144	3.2
225.06097	3.4
225.09544	0.9
227.07538	2.5
227.09410	1.3
229.09189	26.7
230.09335	1.0
231.03543	1.4
231.06650	5.5
231.10632	3.9
233.08669	2.5
234.99059	1.6
237.02676	2.2
241.05092	1.3
241.09190	3.6
243.03496	1.2
244.06709	1.3
245.05057	5.3
245.08788	1.6
247.06578	2.2
251.09518	4.5
251.59537	0.9
253.09209	8.8
257.04971	1.3
257.08698	2.2
259.06058	8.0
259.10190	3.5
263.06091	1.5
264.11115	0.9
267.06989	0.8
271.10199	2.3
273.08124	15.9
274.08545	1.4
275.09741	15.0
276.09875	1.5
287.05508	3.1
287.09634	2.7
289.11292	5.2
291.09229	6.7
293.10773	30.0
294.11011	2.4
301.11261	3.1
305.06543	9.4
305.10837	3.9
309.08252	1.1
316.12354	1.5
319.04681	6.0
319.08749	9.7
319.12299	100.0
320.09189	1.0
320.12488	4.2
332.12067	3.6
332.62250	1.4
333.10199	4.0
335.11374	1.4
337.09637	7.1
337.13431	8.5
338.09412	3.0
347.13116	0.8
351.11600	1.0
363.11404	2.2
367.10846	0.8
407.17804	1.1
411.11472	1.4
413.08633	0.9
431.10132	3.6
449.11340	8.9
449.16049	2.9
467.11374	9.8
467.16077	24.8
468.11575	1.2
468.16766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.6
55.01862	1.7
55.05497	1.9
57.03426	4.0
57.73577	1.3
61.02904	6.5
69.03120	1.5
69.03423	16.4
69.07053	1.6
69.72625	9.8
70.06606	1.6
71.04967	3.5
73.02906	3.2
73.06530	1.6
77.00913	1.9
81.03415	7.3
81.07055	1.9
82.62099	1.6
82.99881	1.7
83.04974	1.7
84.84351	1.3
85.02898	31.3
85.06528	2.2
86.03221	2.0
86.09692	1.8
87.04482	2.6
91.03925	2.5
91.05452	3.6
93.07027	2.5
94.99873	1.5
95.04931	2.9
97.02882	13.3
98.21436	2.7
98.97559	5.5
99.04437	2.6
99.08070	4.3
101.00871	9.3
101.01454	1.6
103.05479	1.6
103.41026	1.6
105.07017	3.1
107.04944	2.0
109.02854	5.4
111.04416	2.2
113.00866	2.5
115.02401	3.0
115.03889	1.8
116.98625	2.8
117.04030	1.6
119.01900	34.9
119.04909	3.1
121.01664	2.0
121.02837	17.2
121.06487	12.4
122.03164	2.2
123.04414	12.5
127.03912	9.6
129.03926	1.9
129.05418	1.4
130.08606	3.5
131.01877	22.0
131.05516	4.3
132.95810	1.6
133.03477	8.9
133.06480	2.8
133.10161	1.5
136.07558	1.7
137.02937	4.0
137.05960	7.8
138.09114	2.5
139.03873	3.4
140.03430	1.7
141.06548	1.4
143.01875	41.7
143.03381	3.0
145.01666	1.5
145.03488	13.9
145.04921	12.1
145.07162	7.8
147.04314	5.2
147.05002	6.2
149.02232	14.2
149.06599	9.3
150.96889	1.6
152.02481	1.5
153.01807	22.4
153.05649	1.4
155.01866	22.6
156.02631	2.4
157.03453	9.0
159.04994	4.0
160.07549	4.4
161.02942	64.9
161.05936	2.0
161.06442	1.9
162.03043	4.1
163.02655	2.8
163.03943	10.1
163.08107	14.0
165.05661	1.4
167.03349	2.8
167.06984	10.7
169.03438	2.6
171.05022	12.2
173.02953	30.2
173.06577	26.1
174.03049	1.9
174.96895	5.0
175.04532	7.7
175.08138	11.1
176.08060	1.5
177.05904	5.6
181.08578	2.6
183.04979	6.0
184.04510	3.2
185.02965	4.4
185.06581	30.4
186.06804	2.1
187.04550	3.2
187.08136	14.7
189.02357	1.6
189.06033	5.6
191.07550	12.4
193.09084	2.8
195.02882	5.3
197.06508	3.2
197.08186	1.9
199.08084	15.5
201.06044	7.1
201.09694	3.5
203.04012	12.9
203.07607	20.9
205.09180	2.6
209.06538	1.9
209.08226	2.2
211.08171	4.3
213.05830	4.9
213.09717	3.3
215.07608	12.0
216.08411	1.5
217.07367	2.5
217.09200	24.7
219.01770	3.1
219.07776	4.3
221.05022	45.4
223.04599	2.0
223.06471	3.1
223.08270	2.2
225.06053	5.9
226.09293	1.8
227.07590	3.7
229.05698	1.7
229.09203	24.8
231.06548	12.4
231.10780	5.2
233.08661	5.0
234.98993	4.0
237.02795	5.1
241.09286	2.7
243.03677	1.6
244.04280	2.1
244.06731	3.2
245.05000	9.1
247.04514	2.0
247.06718	2.5
251.09447	8.1
251.59529	2.9
253.09254	5.8
255.07144	1.7
257.04965	1.9
257.08655	5.8
259.06039	13.2
259.10300	3.9
265.07465	2.3
267.07336	1.8
271.06686	1.9
271.10147	2.1
273.08160	31.6
275.06860	2.6
275.09735	35.4
276.10043	1.7
282.04193	1.5
283.10367	1.9
285.08499	1.7
287.05646	7.8
287.09436	7.4
289.11334	3.6
291.09180	14.7
293.10760	69.2
294.10962	3.0
301.07587	2.2
301.11121	4.1
303.08798	1.7
305.06467	20.1
305.10635	5.1
309.08356	1.9
319.04718	9.9
319.08661	16.3
319.12268	100.0
320.12451	4.1
332.12057	4.9
333.06674	2.1
333.10217	8.4
335.11118	2.7
337.09601	14.5
337.13434	7.4
338.09396	7.5
351.11404	2.3
363.11139	2.7
367.10898	2.1
377.12653	1.9
405.12146	1.9
411.12146	2.2
431.10260	8.1
449.10464	23.4
459.54590	1.6
467.11807	21.6
467.16318	24.6
468.12057	2.0
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
53.08561	2.7
55.01857	4.3
57.03423	7.0
60.52226	2.6
61.02906	10.2
69.03418	17.9
71.04974	4.4
71.61654	4.0
73.02896	11.5
81.03390	12.5
85.02888	51.5
85.03360	5.1
87.04463	4.5
91.03944	3.3
94.99872	2.8
97.02879	32.4
98.97569	3.9
99.04421	3.6
101.00865	19.8
102.67347	3.2
103.02430	5.4
107.45084	3.3
109.02865	5.1
113.00848	8.0
115.02414	9.6
117.03979	4.6
119.01904	48.9
121.06480	10.3
127.03904	13.8
129.03922	3.8
131.01884	40.9
132.02068	3.4
133.03445	45.1
135.05016	8.2
136.06229	3.5
137.01889	3.6
137.02858	6.2
137.04715	2.7
137.05893	4.3
139.02437	4.0
143.01860	32.2
145.03455	32.6
145.04938	13.1
147.01360	4.5
147.03212	3.7
147.05061	5.8
149.02982	6.1
151.04468	6.8
155.01845	39.8
156.02693	7.0
157.03452	25.0
159.03659	4.2
159.05006	32.5
161.02934	56.9
163.04512	10.7
167.01897	3.1
168.99791	5.7
169.03532	5.5
171.01347	3.3
171.05005	40.9
173.02931	53.3
173.06543	10.8
175.04517	21.3
177.02451	4.4
177.04315	3.4
177.06073	16.3
179.01924	3.3
181.54706	3.6
183.05029	11.4
185.02945	20.6
185.06512	8.2
187.00824	10.8
187.04498	11.2
189.02480	7.8
189.06023	31.5
191.03987	6.5
191.07585	4.2
197.02928	10.8
199.00934	4.3
199.04562	11.2
201.06061	19.7
203.03984	25.1
203.07700	5.2
205.05528	4.0
209.02942	3.5
211.04488	5.7
213.06047	9.1
215.00343	11.8
215.03969	7.3
215.07558	6.1
216.54883	4.0
217.01965	8.6
217.05345	2.8
219.07100	31.0
221.05011	74.1
221.07002	5.1
223.04895	4.8
227.04051	6.1
231.03471	8.2
231.07112	22.0
233.08749	5.2
237.02727	5.8
238.06145	3.8
241.05489	3.6
243.07288	3.5
245.01555	3.3
245.05087	51.1
247.02969	5.9
247.06790	4.2
252.10112	6.2
255.07195	9.9
257.05026	8.2
259.06696	26.1
260.07089	4.5
261.08289	51.9
263.05997	7.3
265.04068	5.3
273.00967	6.5
273.03900	3.5
273.08151	5.9
279.09219	94.4
280.09372	5.5
282.06967	3.4
287.06116	26.4
289.04202	6.5
289.07492	4.9
291.09232	4.0
305.07040	18.3
305.10858	9.4
307.05414	5.9
307.08670	17.8
311.08981	3.8
315.01889	7.4
317.07169	8.3
318.07922	5.7
318.11432	6.0
318.57980	7.0
319.08682	33.1
319.58652	8.9
320.09189	12.1
321.10297	100.0
322.10611	5.2
333.10748	3.9
337.09744	11.1
339.11539	16.2
343.01645	3.2
347.08182	13.1
349.09763	8.8
351.11377	5.0
365.09415	5.0
375.04031	28.2
375.08044	3.7
377.05701	6.0
379.10770	11.7
391.10663	3.8
393.05002	11.9
407.10477	22.9
431.11423	3.8
435.09717	28.2
437.11633	4.2
449.10867	4.2
467.12009	45.3
467.20819	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	466.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05504	9.6
57.07058	4.3
65.03939	1.4
67.05495	18.8
69.03442	2.0
69.07063	11.8
69.97469	8.8
71.04973	2.9
71.08606	1.3
73.15398	1.4
74.27792	1.2
79.05482	14.3
81.03397	1.7
81.07045	54.0
83.04970	1.9
83.08607	5.8
85.06538	2.4
91.05453	17.5
93.07030	36.3
95.04968	5.0
95.08595	51.4
97.06513	4.2
97.10152	3.1
99.08097	1.5
104.55917	1.4
105.07014	40.4
107.08574	35.3
109.06506	3.4
109.10137	35.0
110.54356	1.5
113.09682	1.7
113.59041	1.6
115.05433	1.6
117.06982	11.7
119.08561	36.7
121.06494	3.8
121.10124	41.9
123.04413	2.1
123.08086	2.8
123.11686	28.2
125.09638	1.4
125.95398	1.3
126.18606	1.5
128.06215	1.9
129.06990	12.1
131.08545	35.8
133.10095	30.5
135.08057	1.9
135.11668	22.0
137.09636	2.6
137.13223	14.0
139.03889	6.5
141.06985	2.9
142.07759	7.0
143.08537	27.2
144.09299	2.9
145.06503	1.3
145.10098	53.7
146.10582	2.0
147.07961	2.5
147.11658	40.6
149.09612	4.0
149.13232	23.3
151.11093	1.4
155.08553	15.4
156.09340	3.8
157.10120	40.9
158.10919	1.9
159.08072	2.4
159.11670	48.4
161.09627	3.5
161.13235	24.8
163.11195	4.7
163.14783	16.9
165.12787	3.9
167.08548	2.1
169.10104	17.0
170.10854	3.3
171.11668	22.3
173.09627	3.8
173.13220	17.9
175.11176	3.8
175.14822	14.7
177.09137	2.8
177.12698	3.6
177.16309	2.6
181.10139	2.8
183.11685	13.7
184.12094	1.4
185.09683	2.7
185.13232	25.1
187.11140	4.9
187.14783	16.3
189.12788	2.6
189.16383	3.7
191.10683	6.2
193.12209	2.5
195.10149	2.2
195.11696	5.8
197.13225	15.0
199.11061	2.2
199.14772	17.1
201.09090	3.3
201.12694	2.4
201.16351	10.6
203.10713	3.4
203.14345	2.8
205.12239	6.1
207.11722	1.7
209.11661	4.5
209.13330	4.1
211.14772	10.4
213.12727	2.0
213.16299	4.5
215.10583	3.5
215.14189	2.8
217.12193	8.2
217.15765	2.9
219.13753	1.8
223.14853	4.2
225.16396	7.5
225.18291	1.7
227.17915	4.4
229.12215	4.8
229.15846	2.5
231.13791	14.9
237.16541	3.3
239.14302	1.7
239.17873	4.0
241.15656	2.2
243.13785	7.7
245.15344	5.1
247.17050	1.9
249.14845	4.5
251.18034	4.5
253.19481	8.6
255.13838	1.8
257.15314	4.5
260.33133	1.7
261.14966	2.8
263.16382	2.6
265.19623	2.0
279.20963	6.8
281.22629	7.1
283.16998	3.4
283.24197	2.9
297.18555	2.0
297.22174	1.8
298.25531	1.8
299.23657	6.2
307.24133	19.6
309.22327	2.7
309.25546	3.4
325.21820	2.0
325.25201	48.5
327.23169	22.8
327.26608	3.0
335.23483	7.5
343.26230	16.9
345.24210	9.6
353.24698	100.0
354.25031	2.6
371.25735	62.9
389.26773	5.0
420.29382	1.8
448.29144	1.8
466.31729	27.1
467.31540	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.118
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
55.01860	2.1
57.03429	1.0
57.37094	0.6
65.03927	2.3
67.01831	1.1
67.05496	1.3
68.99783	2.7
69.03422	4.7
70.06569	0.7
71.57632	1.2
77.03926	0.7
79.05465	0.9
81.03422	3.3
81.04539	4.7
82.05293	1.6
83.04969	0.7
85.02893	8.3
90.36954	0.6
91.05473	3.7
95.04966	3.7
95.06072	6.3
95.08624	1.0
97.02883	4.0
99.04434	1.2
103.24314	0.7
105.07018	1.1
107.04920	1.0
109.02858	1.9
111.04451	5.4
111.05552	17.4
119.04919	7.8
121.02857	9.0
123.04413	53.9
123.05515	13.3
125.07059	0.9
125.09589	1.5
127.03854	5.7
133.02817	2.7
135.04372	2.6
137.02391	3.1
137.03276	0.6
137.05931	1.9
139.03886	6.9
141.06570	40.0
143.08142	1.0
145.04921	1.9
145.06500	0.8
147.03192	1.2
147.04398	36.2
149.02327	71.9
150.03020	2.4
151.03870	4.0
153.01808	100.0
154.02205	1.2
157.06468	3.1
159.07640	20.8
161.02284	5.3
163.03864	2.4
164.07019	0.7
165.01836	1.9
167.03378	14.7
167.04721	1.3
171.02867	3.0
171.04300	0.8
175.03877	0.9
175.07509	2.6
177.05542	0.6
179.03394	3.3
183.02876	1.7
185.05975	7.1
189.05493	1.2
191.03317	1.5
195.02875	24.1
201.97035	0.7
203.03317	2.2
203.07091	1.2
213.05441	11.8
231.02898	1.7
231.06493	54.5
232.06905	1.0
241.04913	8.5
249.04022	1.0
255.06581	1.0
258.05225	2.7
259.05991	57.1
260.06470	0.8
263.52618	0.7
264.36746	0.8
283.06274	0.9
287.05463	33.4
287.13913	1.2
299.05743	1.2
301.06967	1.9
303.11859	0.8
305.06528	92.4
306.06857	1.5
317.06442	1.6
321.13013	1.1
329.06509	1.3
347.07492	1.4
371.07639	1.4
383.07626	1.1
449.15512	2.5
467.16275	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	466.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
55.05495	1.3
57.03431	5.4
57.07064	2.2
59.04993	0.9
60.04515	0.8
61.02902	0.5
63.17866	0.4
67.05504	3.5
69.03423	15.8
69.07067	4.1
69.36578	4.0
72.59240	0.3
73.02906	1.7
78.94917	0.3
79.05482	8.4
79.19299	0.4
81.03398	1.3
81.07046	100.0
82.07377	1.0
83.04971	0.6
85.02361	0.4
85.02483	0.3
85.02891	13.3
87.04458	13.4
92.18077	0.4
93.07022	1.1
95.08592	19.0
96.08939	0.5
97.02877	16.8
99.04443	0.5
107.08577	0.5
109.10144	1.3
115.03912	26.8
116.04288	0.4
121.10034	0.4
123.08080	0.4
123.11702	0.4
127.03909	2.6
133.04951	29.1
133.10088	0.6
135.11656	0.4
137.13240	24.7
138.13551	0.5
143.03522	0.4
145.04945	3.9
150.07591	4.3
163.06044	1.7
169.05016	0.8
175.06033	0.8
223.06087	1.1
226.53792	0.4
241.07117	1.7
259.08124	3.2
277.09192	1.6
295.10214	3.0
391.96021	0.4
464.43060	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01867	2.2
55.05495	0.8
57.03427	4.3
57.07057	2.0
59.04989	0.5
61.02928	2.9
64.04060	0.5
64.94589	0.4
65.86083	0.5
67.05500	3.8
69.03069	0.7
69.03426	9.8
69.06721	0.5
69.07047	3.3
71.01334	1.2
71.06285	1.8
73.02908	17.2
79.05480	7.5
79.62601	0.5
81.03418	1.7
81.07043	100.0
82.07378	1.5
85.02892	22.9
87.04456	1.5
91.03948	1.0
93.07027	0.8
95.08594	20.2
97.02877	17.0
99.04424	1.1
103.03932	0.7
109.02865	2.2
109.10107	1.1
115.03912	10.1
127.03897	9.8
133.04944	15.6
137.13234	27.5
145.04938	13.0
149.13237	0.6
150.07571	1.2
163.05989	9.1
193.04903	0.8
199.05957	0.6
205.07059	0.8
217.07132	0.8
223.05870	2.7
241.07031	4.2
259.08090	6.3
277.09180	1.9
280.86023	0.6
295.10150	5.5
419.50766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01862	2.1
55.05493	1.7
57.03430	3.2
57.62830	0.6
61.02912	1.8
67.05492	1.1
69.03416	24.2
69.64082	4.8
69.98585	0.7
71.04984	2.0
72.04493	1.6
73.02902	2.5
74.14410	0.6
77.03901	0.9
79.05482	7.5
81.03404	11.4
83.04970	7.0
85.02893	20.1
87.04453	2.5
90.05525	2.0
91.03939	0.8
91.05454	0.7
95.04952	5.1
95.08562	0.7
97.02883	6.7
98.02398	2.3
99.04447	4.2
103.03915	0.8
105.03373	100.0
106.03682	1.2
107.04884	0.8
109.02863	10.3
111.04433	4.9
116.03432	1.3
121.02849	1.5
121.22429	0.6
123.04404	20.2
124.07600	1.2
125.09566	0.8
127.03899	10.1
129.05453	9.7
132.06520	0.8
135.04399	2.1
137.02249	0.8
141.05391	0.8
142.08617	2.1
145.04938	4.1
147.04388	2.8
147.06520	5.3
151.03860	0.7
163.11159	0.8
165.07562	5.7
178.15540	0.6
183.08621	25.0
184.09680	2.8
202.10727	6.2
220.11783	1.1
230.10384	0.8
231.06474	2.6
234.09708	1.2
241.13168	0.7
249.07539	12.8
262.12860	1.2
267.08594	49.0
287.13846	1.0
300.72479	0.6
303.05096	0.9
304.05276	2.0
305.15012	2.5
310.12921	0.8
328.13867	6.0
332.16669	0.6
334.60373	0.7
346.15063	1.6
364.16064	3.0
413.14505	1.0
466.17606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.1
53.11788	0.7
55.05505	1.9
57.03428	1.6
67.05162	1.0
67.05494	13.7
69.03421	5.8
71.04991	1.6
71.62766	1.0
72.08109	0.8
77.07401	0.7
78.02541	0.6
79.05470	2.6
80.61833	0.7
81.02968	1.3
81.03400	16.2
81.07047	10.1
81.17022	0.7
83.04943	1.5
83.08627	1.0
85.02882	4.9
85.06520	1.0
86.01402	0.7
89.03918	1.0
91.05453	5.1
93.07023	5.4
95.04935	4.2
95.08588	10.1
97.02875	5.2
99.04440	3.5
99.08048	1.1
105.07029	1.3
107.04951	1.1
107.08577	3.8
109.02856	14.2
109.06490	2.0
109.10134	40.5
110.10465	1.3
111.04383	0.8
117.03336	2.2
118.03657	0.9
119.08566	4.0
121.02856	1.2
121.06452	1.6
121.10140	2.3
123.04396	2.1
123.11693	1.3
125.05977	2.2
127.03897	11.2
127.74446	0.7
128.04170	1.6
129.06958	1.2
131.04933	0.8
135.07997	1.8
137.05978	1.9
137.09590	100.0
138.09956	2.1
140.04602	0.8
145.02838	5.8
145.04956	0.8
145.10106	0.7
146.03163	2.7
147.04364	5.2
147.07997	1.2
148.04802	1.5
149.04834	1.1
149.05962	1.8
149.09506	1.1
153.05444	1.0
155.10640	6.8
157.06473	0.9
161.05945	2.3
163.07491	1.7
164.07825	0.7
165.09081	85.5
166.09409	2.3
167.07024	10.9
168.07321	2.2
173.09532	0.7
175.07378	0.9
177.05446	12.6
178.05792	9.9
181.08559	6.8
182.08916	2.2
183.10103	7.1
184.07307	0.9
189.09077	2.7
190.09450	2.5
201.11169	11.0
207.10178	0.9
291.12195	9.3
303.04849	1.2
303.13257	1.7
304.05362	1.6
304.13763	4.6
309.13275	50.4
310.13470	2.2
318.14093	1.0
322.10068	0.9
327.14297	18.4
344.15686	2.6
345.15546	4.0
360.15378	0.9
361.16086	2.5
362.16730	6.4
364.47705	0.9
436.20282	2.0
467.16925	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3931
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
52.94218	1.5
53.03911	2.2
55.01848	2.9
55.05500	28.2
57.03394	1.6
57.07062	24.1
59.04964	2.3
61.85610	1.3
63.01643	1.8
66.68956	1.4
67.05492	63.0
67.05824	2.6
69.07051	50.6
70.80490	4.3
71.04955	3.1
71.08614	19.8
72.32115	1.4
79.05484	15.4
81.07040	53.6
83.04930	3.6
83.08598	32.5
85.06524	7.6
85.10165	13.3
89.23859	1.7
91.05453	11.3
93.07030	27.9
93.67706	1.3
95.04882	1.6
95.08584	46.0
97.06458	5.3
97.10142	22.8
97.45526	1.4
99.85280	1.6
105.07000	16.7
107.08569	31.4
109.06449	3.0
109.10136	66.4
111.08015	5.0
111.11692	10.7
115.03903	2.3
116.07018	3.7
119.08543	18.0
121.10114	25.3
123.11687	15.2
125.05936	2.2
125.13181	3.3
129.05421	1.7
131.08466	6.4
133.10106	16.9
135.11662	21.8
137.09534	4.0
137.13214	8.2
139.07494	2.1
143.06030	1.8
143.06999	20.9
143.08133	2.7
145.10039	7.3
147.11668	16.8
149.09526	3.1
149.13228	13.2
151.14711	1.9
153.09048	2.6
155.10545	2.8
157.09975	2.6
159.11555	5.4
161.13216	9.5
163.14789	8.1
167.10519	4.2
171.11534	3.2
173.11581	12.6
173.13123	5.0
175.14655	5.2
177.16299	2.4
181.12134	3.2
187.14632	4.8
189.12672	2.5
189.16341	7.1
193.12054	4.7
199.14664	1.9
201.16258	3.1
203.17746	1.8
207.13776	10.4
207.20920	2.6
217.19359	2.0
219.20911	2.1
221.15175	5.2
221.22552	1.8
225.14613	1.9
229.19281	1.8
235.16809	3.1
247.16679	4.0
253.02611	1.6
261.18134	2.4
261.25681	2.3
275.19754	4.5
289.21277	5.1
289.28583	3.4
303.30038	1.8
331.25961	2.2
345.27695	2.1
347.32635	4.7
369.34943	2.2
387.35690	3.1
403.35156	4.0
429.37152	23.5
447.38263	100.0
448.37912	4.6
465.35135	53.7
466.35468	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	465.3932
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
55.01863	2.3
55.05498	12.4
57.07064	14.4
65.03926	1.3
67.05494	13.6
69.07056	24.9
69.51498	1.1
70.87328	2.5
70.87672	1.9
71.05005	1.5
71.08614	15.5
79.05479	9.7
80.20667	1.0
81.07042	39.5
83.04942	1.9
83.08608	14.2
83.61967	1.1
85.06537	6.8
85.10164	7.7
90.13279	1.0
91.05476	6.4
93.07028	20.2
95.04942	1.5
95.08588	38.9
97.06503	4.9
97.10162	11.5
99.11732	1.6
105.07011	13.1
107.08576	23.3
109.06488	1.8
109.10137	22.0
111.08076	1.9
111.11683	6.4
115.03902	2.4
117.07003	1.4
119.08573	14.2
121.10120	17.1
123.08015	1.6
123.11672	14.0
125.05956	1.3
125.13284	2.7
127.07602	2.1
131.08534	4.7
133.10115	16.8
135.08035	2.1
135.11671	15.7
137.13213	4.1
143.07013	15.5
145.10106	5.5
147.11664	13.3
149.09613	2.1
149.13234	12.2
151.14781	3.3
153.09055	1.9
157.10057	1.5
159.11671	3.9
161.09613	1.9
161.13222	9.0
163.11122	1.7
163.14838	7.2
165.09143	1.4
165.16328	2.5
167.10608	1.8
171.11627	1.6
173.11946	1.3
173.13275	4.5
175.11192	3.1
175.14819	5.2
177.16353	3.2
178.41273	1.1
179.17870	1.2
187.14822	2.6
189.12674	1.1
189.16396	5.0
191.17839	1.2
193.12190	6.1
193.19388	1.3
193.52887	1.1
197.13159	1.2
201.16322	2.4
203.14301	1.3
203.17935	2.3
205.19511	1.1
207.13795	8.3
209.15233	1.7
215.17961	1.7
221.15337	4.2
221.22646	2.6
225.14830	1.7
229.15887	1.3
229.19499	1.9
233.15346	2.2
233.22505	1.8
235.16818	2.4
247.16997	3.0
247.24350	1.2
249.18340	1.5
261.18539	2.0
263.19995	1.7
264.98462	1.2
275.20102	5.0
289.21658	3.5
289.28784	2.5
301.28827	2.2
317.24625	2.0
331.26215	1.4
345.27753	1.4
347.33051	3.6
369.35028	2.2
387.36053	2.7
393.34891	1.1
403.35693	3.8
405.37225	3.3
411.36420	2.2
415.43958	1.3
429.37256	27.8
430.37268	1.7
447.38257	100.0
448.38547	4.4
465.39691	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	465.3933
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
53.03926	1.6
55.01855	1.5
55.05501	14.3
57.03408	0.8
57.07070	6.5
67.05493	15.1
68.56413	0.7
69.07056	23.0
71.08613	3.9
71.63119	1.3
74.35688	0.8
79.05484	5.5
81.07043	15.4
83.01328	1.8
83.04952	2.0
83.08604	15.3
85.06541	0.9
85.10165	2.2
89.06012	3.8
90.14209	0.8
91.05455	4.9
93.07040	8.5
95.04963	3.6
95.08588	16.5
95.09155	1.3
97.10149	13.2
105.03376	11.7
105.07021	4.8
107.08570	7.0
109.06490	2.6
109.10142	15.6
111.08051	7.0
111.11700	3.2
117.07007	0.9
117.89224	0.8
119.08564	10.4
121.06497	2.9
121.10123	6.2
123.04413	5.9
123.08077	2.6
123.11703	6.5
129.06970	0.8
131.08557	2.2
133.08580	1.8
133.10109	5.1
135.08046	1.1
135.11673	6.8
137.02278	0.9
137.06013	2.3
137.09589	11.6
137.13194	2.0
139.07521	20.5
143.08517	2.0
145.10115	1.5
147.08005	1.4
147.11667	2.7
149.09637	1.9
149.13216	2.9
151.03835	1.2
151.11172	5.8
151.14804	1.2
153.09085	3.1
155.08488	0.9
155.10632	1.3
157.10121	1.2
159.11659	1.9
161.13214	1.5
162.13063	0.9
163.11194	0.8
163.14905	0.9
165.05446	1.7
165.09084	37.9
165.12776	4.2
167.10718	2.1
171.11703	1.4
173.11766	1.1
173.13252	1.4
175.14851	1.6
177.12616	0.9
177.16475	0.8
179.03374	19.1
179.10561	1.5
179.14246	4.4
180.03685	0.8
183.10152	1.5
183.11678	1.2
187.07474	1.0
187.14693	1.0
189.12773	1.1
189.16397	1.3
191.17915	1.2
193.12160	1.2
193.15804	2.3
194.10689	0.8
197.04440	13.1
203.17932	1.0
205.15930	1.3
207.13768	1.9
207.17508	2.7
211.14877	1.1
215.14221	0.8
221.18971	1.0
227.20102	2.0
257.08047	28.6
258.08569	1.2
263.23752	1.3
287.16724	0.9
303.04846	1.2
311.25677	0.9
325.14444	2.5
379.18985	6.9
379.36630	0.8
380.19489	1.2
391.19226	1.7
401.37906	2.5
405.60748	0.9
419.38828	3.9
429.37405	4.3
430.57187	0.9
447.32996	1.7
447.38342	29.6
448.38934	1.5
465.39441	100.0
466.39777	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	465.3932
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
52.30761	0.7
53.03942	1.4
55.05504	21.5
56.20267	1.0
56.20554	0.7
57.03434	1.1
57.07066	8.7
59.04982	0.9
67.05493	32.8
69.03410	1.3
69.07057	28.9
71.04987	1.8
71.08620	6.0
79.05480	2.7
79.55460	0.8
81.07046	18.3
83.04982	1.4
83.08605	26.4
83.09106	1.3
85.06544	2.2
85.10185	2.0
89.06034	3.2
91.05469	4.8
92.78230	0.8
93.07036	7.1
95.04948	2.4
95.08591	14.5
97.06535	1.0
97.10157	20.3
97.10768	1.5
98.21443	1.7
104.86875	0.7
105.07027	4.2
105.07662	0.9
107.04981	0.8
107.07975	0.9
107.08562	5.0
109.06506	2.7
109.10138	30.6
111.08076	8.4
111.11713	4.6
119.08573	13.1
121.06505	2.6
121.10120	5.5
123.04411	5.5
123.08057	4.2
123.11706	6.0
125.09620	1.8
125.13263	1.0
129.02940	0.7
131.08556	1.7
133.08568	1.9
133.10094	3.4
135.08058	1.8
135.11670	5.5
137.05930	1.9
137.09599	13.4
137.13252	3.0
139.07516	22.9
139.11174	0.9
145.10094	1.5
147.08052	1.7
147.11684	3.0
149.09616	1.1
149.13261	2.3
151.07556	1.0
151.11150	6.2
153.09082	2.3
155.10632	2.1
157.09976	0.9
159.11659	1.6
161.09641	1.1
161.13228	2.3
163.11096	1.1
163.14784	1.5
165.09096	32.1
165.12762	3.3
167.10634	1.9
173.11720	8.2
173.13139	1.5
175.11176	1.4
175.14853	1.2
177.12657	0.9
177.16292	0.8
179.10646	1.4
179.14297	3.9
183.10167	1.6
187.14835	1.7
189.12720	1.0
189.16350	1.2
193.12279	1.3
193.15881	3.0
201.16422	0.8
205.15900	0.9
207.13705	1.4
207.17462	1.5
221.19016	0.9
235.20535	1.1
283.17328	1.1
303.05057	0.7
345.27682	1.1
398.68619	0.8
401.37711	3.5
403.35797	0.8
410.88843	0.8
419.38950	4.0
429.37051	6.4
447.38278	30.5
448.38666	1.7
465.39975	100.0
466.39606	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	465.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.2
55.01849	3.2
55.05255	1.6
55.05500	23.1
56.63588	1.1
57.03430	15.9
57.07057	2.1
65.03926	4.0
67.05495	58.5
67.13139	1.2
69.03399	3.4
69.06721	1.3
69.07062	17.6
70.44562	4.0
71.01329	2.7
71.04991	7.3
72.99146	1.1
79.05479	56.9
80.05797	1.4
81.03403	44.4
81.07047	44.0
82.07378	1.4
83.04970	16.7
83.08604	16.0
85.02895	18.9
85.06515	8.3
88.07627	1.6
91.05466	47.3
92.05777	1.6
93.07027	52.8
94.07346	3.4
95.04952	34.8
95.08586	19.1
97.02859	2.7
97.06516	11.8
97.10165	13.3
99.04469	1.7
99.08064	2.7
105.07016	29.3
107.04958	7.5
107.08580	34.9
108.08907	1.3
109.06482	7.0
109.10136	14.4
110.10430	2.6
111.08073	8.4
113.05969	2.5
113.09642	1.9
115.05396	2.1
117.07021	8.3
119.08554	25.1
121.06493	5.5
121.10120	20.0
122.10469	2.5
123.04366	1.5
123.08000	3.2
123.11692	3.5
125.05973	1.4
125.09614	4.8
127.11172	1.4
128.06158	2.2
129.06972	11.4
130.07616	1.0
131.08543	15.7
133.06447	3.0
133.10118	17.1
134.10417	1.8
135.07986	3.3
135.11667	39.2
137.09595	3.7
137.13228	1.3
141.06953	2.3
142.07767	3.2
143.08481	6.1
144.08968	1.4
145.06482	1.5
145.10104	15.0
146.10443	1.6
147.08000	3.0
147.11656	14.5
149.02324	6.3
149.09581	5.3
149.13194	3.2
151.11180	1.4
153.12691	1.6
155.08549	5.7
156.08966	2.0
157.10117	12.9
158.10400	1.7
159.07997	1.8
159.11629	5.9
160.11972	1.3
161.09564	3.4
161.13229	6.3
162.13477	2.1
163.11150	8.9
163.14857	1.4
165.12703	1.9
169.10023	5.6
170.10536	1.5
171.11638	4.7
172.12048	1.8
173.09602	1.7
173.13266	2.6
175.11163	11.6
175.14799	3.0
176.34535	1.3
177.12682	1.9
179.08475	1.7
179.14241	2.2
180.14563	2.5
181.10103	1.4
181.12169	7.2
183.11615	5.0
184.12093	1.3
185.13249	2.6
186.13550	1.4
187.11156	2.8
187.14801	2.6
193.04919	5.0
193.12216	36.5
195.11662	2.4
196.12009	1.9
197.13239	3.5
198.13527	2.2
199.14732	1.6
201.12714	2.6
207.11736	1.4
209.13261	2.1
210.13710	2.0
211.13240	43.1
215.14211	1.2
217.12207	1.3
219.11758	1.3
237.07555	5.2
243.13927	1.3
249.14809	1.8
255.15862	11.5
256.26309	4.1
256.83051	1.4
267.15826	7.2
276.37863	1.3
285.17188	1.7
285.21820	1.2
303.04861	4.9
306.22922	1.4
323.23605	1.6
324.23965	7.3
329.20953	3.3
332.21912	1.3
342.25012	15.0
352.23438	5.2
355.22644	3.5
370.24460	9.2
373.23477	6.0
388.25470	3.2
398.03265	1.4
403.24948	2.5
419.29520	2.9
421.25888	4.6
447.27289	16.4
465.28491	100.0
466.31857	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01864	6.4
55.05504	19.7
57.03431	8.8
57.06778	0.7
57.07064	8.4
67.05493	9.0
69.07058	23.5
69.33588	5.5
70.25578	0.5
71.08617	6.0
73.02908	5.0
79.05479	4.9
81.07037	10.3
82.07381	0.5
83.04967	0.6
83.08605	20.5
83.23438	0.4
85.06512	0.8
85.10155	1.7
87.03268	0.5
89.78166	0.4
91.05476	1.2
93.07024	6.8
95.04959	0.9
95.08607	6.5
97.06521	3.1
97.09531	0.7
97.10153	13.8
98.20765	1.1
98.98454	54.5
105.07001	0.7
107.08566	3.7
109.10139	1.9
111.08067	1.2
111.11712	4.1
116.99479	2.2
119.08539	0.9
121.10129	6.5
123.11720	1.5
125.09631	0.8
129.05460	2.0
133.10114	1.4
135.11671	4.0
136.99966	2.9
137.13203	1.1
140.01071	0.9
147.11722	0.7
149.13222	1.6
155.01019	47.4
163.14687	0.9
173.02075	0.6
177.90948	0.5
182.51794	0.5
193.02557	0.6
211.03595	1.9
219.21094	1.6
229.04646	3.3
237.22110	8.2
248.67348	0.5
259.15070	0.6
303.04953	1.2
311.25757	100.0
312.26160	4.0
378.18372	0.5
391.22195	1.3
424.88931	0.6
447.25006	20.1
448.25244	1.0
465.34973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2844
Annotation	Tritoniopsin D
Peak:m/z	Relative Intensity
51.02369	1.1
53.03931	3.7
55.01846	3.0
55.05504	23.4
57.03179	1.0
57.03432	13.9
57.07062	2.5
59.04976	1.2
62.42642	0.7
65.03912	2.5
67.05497	52.1
69.03426	4.1
69.07059	17.1
69.54361	0.7
69.57003	0.8
69.57304	6.7
71.01335	3.1
71.04983	7.3
72.65292	0.8
79.05484	52.2
81.03409	40.2
81.07047	37.0
83.04973	16.7
83.08607	15.8
85.02417	1.4
85.02899	17.9
85.06540	4.3
91.05469	37.7
93.07029	49.9
95.04959	30.9
95.08595	15.1
97.02882	2.3
97.06524	13.7
97.10159	9.6
99.04425	1.7
99.08080	2.5
105.04482	1.1
105.06300	0.9
105.07013	20.7
107.04941	5.9
107.08578	30.6
109.06510	4.2
109.10148	8.2
111.04412	2.4
111.08065	8.3
113.05999	2.1
115.05420	1.8
117.06991	6.2
119.08570	20.8
121.06503	4.6
121.07275	0.8
121.10126	12.4
123.04402	1.8
123.08057	3.1
123.11700	2.5
125.09598	3.7
128.06226	1.0
129.07005	8.4
131.08557	9.5
133.06499	2.9
133.10120	10.3
135.08023	2.4
135.11674	35.4
137.06007	0.9
137.09599	2.9
139.03865	5.8
139.07567	0.9
139.11168	1.0
141.06918	1.3
142.07790	1.4
143.08557	2.0
145.10091	9.8
147.04341	0.8
147.08058	3.4
147.11653	10.4
149.09595	4.4
149.13248	1.1
151.03842	1.4
151.07489	1.5
151.11165	1.5
155.08540	1.0
157.10106	11.1
159.11641	2.4
161.09677	1.3
161.13156	1.1
163.03908	2.4
163.11168	5.7
165.12773	2.2
169.10150	1.2
171.11670	2.0
173.13263	1.4
175.11176	11.7
177.12779	1.6
181.12270	7.0
183.11610	1.2
184.07350	1.0
185.13158	2.1
187.11189	1.0
187.14828	1.2
189.11215	1.7
193.12219	36.7
199.13174	1.4
211.13261	48.9
223.13306	0.8
245.68669	0.8
255.15852	13.2
267.15924	9.7
303.04947	3.1
303.08487	1.4
329.20749	2.1
355.22751	2.2
373.23926	5.7
403.24670	2.2
420.71539	0.9
421.25888	2.9
447.27328	15.7
465.28439	100.0
466.28751	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	465.2324
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
53.03931	1.4
54.00478	0.9
54.10511	0.8
55.01856	1.8
55.05482	2.8
57.03419	3.0
57.05866	0.8
60.08155	1.4
61.02913	1.6
67.05490	18.1
69.03412	8.8
69.07050	1.8
70.06564	1.0
71.04975	2.6
71.62785	1.0
72.92836	0.8
73.02897	4.4
73.78165	0.8
79.05480	3.8
81.03400	15.1
81.07036	14.2
83.04955	1.5
85.02905	8.0
85.06516	6.1
86.09702	4.0
91.05458	3.2
93.07033	8.0
95.04947	4.5
95.08588	11.4
97.02879	6.2
97.06550	1.5
99.04437	3.6
103.07554	1.6
104.10725	8.4
105.03391	1.2
105.07015	2.8
107.04884	1.7
107.08570	9.6
109.02856	16.6
109.06493	3.1
109.10137	40.7
110.10459	1.0
111.04427	1.3
115.03949	2.1
119.04898	1.4
119.08553	5.6
121.06506	1.3
121.08600	2.0
121.10123	3.6
123.04356	1.8
124.99997	1.2
125.05968	2.6
125.09608	1.2
127.03887	9.9
131.08522	1.7
133.04909	2.2
133.10124	1.2
135.08026	3.2
135.11665	7.6
137.02399	0.9
137.09589	100.0
138.09933	2.4
145.04916	1.6
145.10106	1.4
147.04372	3.8
147.07982	1.8
149.09521	1.6
151.07497	1.0
153.01852	1.3
153.12714	6.5
155.10634	6.6
163.05989	1.3
163.11128	1.3
165.09085	84.8
166.09451	1.5
171.13837	2.4
182.08087	1.3
183.10144	7.4
183.13727	1.7
184.07327	7.1
197.81905	1.0
200.09148	1.7
201.11168	14.0
202.22591	0.9
215.65329	0.9
229.04993	1.0
257.04370	0.9
285.08609	6.4
285.12216	2.3
291.12219	5.5
299.03903	1.0
303.04959	24.1
303.09839	7.5
303.13290	2.5
304.05161	1.6
309.13263	47.1
310.13553	1.4
327.14328	14.5
345.15448	1.8
465.18356	2.0
466.21994	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	465.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01846	0.6
57.03419	0.5
61.02916	0.4
65.03931	1.3
69.03428	4.9
69.79460	1.9
71.04953	0.3
81.03411	3.6
83.04971	0.7
85.02902	4.9
95.04964	6.7
97.02892	1.9
99.04458	0.8
109.02880	1.7
111.04424	1.9
119.41810	0.3
121.02856	100.0
122.03172	1.2
127.03911	1.5
129.05504	1.1
139.03889	16.7
140.04239	0.5
145.04987	0.7
147.06485	0.6
165.07626	0.7
183.08630	2.1
213.11263	0.4
247.06085	1.1
265.07010	4.7
283.08093	18.3
284.08463	0.5
315.69693	0.4
333.79587	0.4
377.41284	0.3
412.92880	0.4
460.45364	0.3
494.72827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01862	0.4
57.03419	0.5
59.80746	0.2
61.02911	0.4
65.03937	1.6
65.04213	0.3
67.26871	0.3
69.03417	4.7
69.49435	1.9
71.04967	0.3
73.02946	0.2
81.03404	3.6
83.04951	0.6
85.02892	4.5
87.04428	0.4
95.04956	5.7
97.02879	2.4
99.04406	0.8
109.02863	1.9
111.04413	2.1
121.02847	100.0
122.03165	1.2
127.03905	1.5
129.05469	1.1
135.60680	0.3
139.03880	16.9
145.04922	0.5
147.06502	0.6
165.07591	0.9
178.96521	0.2
181.04973	0.3
183.08626	1.5
193.06432	0.3
241.97214	0.3
247.05952	0.6
265.07037	5.1
283.08069	18.6
284.08456	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46870	0.8
53.03937	2.3
55.01855	1.1
55.05492	3.4
57.03428	1.3
65.03914	1.1
67.05492	7.2
69.03415	6.3
69.07065	2.2
71.04981	1.6
71.62645	1.4
75.04487	1.1
79.05489	4.3
81.03417	9.6
81.07046	6.6
83.04961	2.5
83.08614	1.0
85.02890	6.7
85.06511	2.3
89.03915	7.0
91.05466	9.3
92.05878	0.9
93.07058	7.5
95.04960	5.3
95.08600	6.3
97.02874	2.6
97.06522	1.2
97.10151	1.8
99.04434	2.3
99.08070	1.5
103.05453	2.7
105.07009	5.5
106.04163	1.1
107.04938	5.6
107.08592	5.4
109.02874	6.5
109.06517	2.3
109.10152	13.4
111.04414	1.2
111.08059	1.7
113.15332	1.0
117.03373	15.6
117.07016	2.3
119.04949	6.8
119.08575	5.0
120.05266	1.5
121.02830	1.3
121.06463	5.9
121.10123	3.1
123.04398	4.8
123.08047	1.6
123.11716	1.3
124.05223	1.9
125.06032	1.4
125.09635	1.4
127.02945	1.8
127.03897	34.3
128.06165	1.2
129.06992	5.7
131.04878	2.5
131.08549	4.4
133.06464	1.2
133.10126	1.2
134.03664	1.0
135.04385	2.6
135.08037	2.9
135.11665	2.3
137.02275	1.2
137.05980	3.5
137.09601	23.4
138.05463	3.5
138.09073	2.5
139.07556	1.1
140.04672	2.5
143.10585	1.0
145.02827	43.1
145.06389	1.8
145.10152	2.6
146.03165	1.1
146.07230	1.1
147.04396	26.5
147.07959	1.7
147.11627	2.3
148.04710	11.0
149.05936	6.3
149.09589	2.0
149.13283	1.3
151.03915	2.6
151.07535	5.7
153.05458	2.9
153.09105	0.8
155.07059	4.3
155.10661	1.0
157.06476	5.2
159.08093	1.5
159.11665	1.6
161.05969	13.8
161.09581	5.8
163.07475	5.7
163.11166	1.0
165.05460	1.3
165.06924	1.4
165.09094	24.0
165.12732	1.5
166.04967	5.3
166.06276	2.2
167.07030	27.6
169.10124	1.0
174.06784	2.1
175.07503	5.4
177.05452	100.0
177.08951	2.6
178.05798	2.4
181.06415	1.1
181.06709	1.3
181.08572	24.7
181.10182	1.3
183.10120	2.5
187.07475	1.0
189.09074	17.6
191.07057	1.8
194.07376	1.4
195.08092	2.0
195.10118	1.0
197.09612	1.8
201.09181	1.0
201.11237	2.9
201.16336	1.1
207.10135	4.9
208.00868	1.0
219.10088	2.3
223.07523	1.2
225.09084	3.1
229.10536	1.2
232.13440	1.4
236.08305	1.1
241.08577	1.3
247.16748	1.1
253.08614	2.1
255.10133	2.3
257.11786	1.8
265.08566	1.0
269.08093	1.3
270.08801	1.2
272.11453	2.5
274.09430	1.8
275.13861	1.2
279.10248	1.8
283.09579	3.2
283.13068	1.2
285.11484	5.4
291.12241	1.5
299.09290	1.2
303.05005	14.1
303.13315	30.4
305.13602	1.4
309.13324	11.0
311.12683	2.4
315.12241	4.7
317.13800	7.5
321.09698	8.1
322.32776	1.0
327.14420	2.1
329.13724	2.6
331.15414	1.2
339.10672	5.2
343.15390	9.9
359.14828	3.0
360.15659	8.8
361.16397	38.1
389.89307	1.0
435.19940	6.7
447.27295	1.2
465.17184	1.2
465.28305	2.8
478.56497	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.102
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
50.81349	0.3
53.03923	0.8
55.01850	0.6
57.03415	1.0
61.02922	1.5
65.03897	0.4
68.99770	0.7
69.03412	3.2
70.05566	1.4
71.04972	0.5
73.02913	0.6
79.05470	0.3
81.03417	2.2
85.02888	9.4
91.03952	0.5
93.03394	0.3
93.07034	1.1
95.08545	0.3
97.02881	3.9
99.04443	0.4
100.29419	0.3
105.07014	0.3
107.08585	0.5
109.02182	0.3
109.02857	1.5
111.00785	1.3
115.03915	0.3
119.08521	0.4
121.02837	1.3
121.10118	1.0
127.03930	2.4
137.02309	3.2
145.04933	2.4
149.02344	0.3
149.09590	0.4
153.01804	4.1
163.03912	0.6
165.01810	2.4
173.05894	0.6
183.02855	0.9
183.04340	0.5
187.03931	0.3
191.03354	0.3
196.70325	0.3
201.05440	1.5
217.16815	0.3
229.04953	3.8
247.06003	0.8
257.04364	2.7
270.43781	0.3
274.04630	0.7
285.03970	1.5
303.04944	100.0
304.05292	3.2
376.00403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.01864	0.8
57.03424	0.9
57.46235	0.1
61.02913	1.4
62.42379	0.1
65.03940	0.2
67.05486	0.5
68.99777	0.5
69.03078	0.2
69.03423	3.7
69.07071	0.1
70.73596	0.4
70.73946	0.1
71.04977	0.7
73.02895	0.7
74.09691	0.2
79.05479	0.4
81.03404	1.9
81.07039	0.4
83.01326	0.3
83.04973	0.3
85.02894	9.9
85.81135	0.1
86.09690	0.2
87.04447	0.6
91.03944	0.8
91.05477	0.3
92.10244	0.1
93.03365	0.3
93.07019	0.6
95.04940	0.4
95.08583	0.4
97.02882	2.9
99.04439	1.0
100.59268	0.1
105.07004	0.2
106.32336	0.2
107.04951	0.2
107.08580	0.5
109.02863	1.4
109.06510	0.2
109.10112	0.5
111.00790	1.0
113.09663	0.2
119.08569	0.3
121.02857	1.0
121.06527	0.2
121.10119	0.5
123.04405	0.4
123.08147	0.1
123.11718	0.2
127.03892	2.0
133.06439	0.1
133.10120	0.2
135.04376	0.2
135.11649	0.3
136.07625	0.2
137.01335	0.2
137.02330	3.0
137.09587	0.6
145.04941	1.9
145.06256	0.2
147.04376	0.3
149.02333	0.6
153.01810	3.7
155.04834	0.2
159.11694	0.1
161.05951	0.3
163.03899	0.8
164.06952	0.2
165.01807	2.1
165.09076	0.3
166.02562	0.3
173.05978	0.5
177.05412	0.2
179.03418	0.2
183.02884	0.7
183.04272	0.3
187.03903	0.3
193.04929	0.1
195.02824	0.2
197.20662	0.2
201.05443	2.0
205.04982	0.2
219.06557	0.3
228.04185	0.2
229.04939	4.0
230.05325	0.1
247.05997	0.6
257.04419	2.6
274.04779	0.7
285.03928	1.1
303.04950	100.0
304.05295	3.2
313.24838	0.1
315.04755	0.3
345.05957	0.3
380.17297	0.1
411.27176	0.2
465.09744	0.3
465.15475	0.1
465.22516	0.2
492.82053	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0999
Annotation	Enzalutamide
Peak:m/z	Relative Intensity
69.03409	6.4
69.35576	2.0
69.36389	17.9
69.36728	2.0
71.04967	1.7
78.96391	1.9
81.03400	1.9
85.02901	10.4
97.02869	5.7
98.06038	3.8
99.04413	3.6
119.01908	3.7
121.02850	4.3
127.03893	5.7
130.00436	1.9
143.01881	4.0
145.03444	3.3
145.04959	4.0
157.03409	4.1
161.02931	3.9
195.05267	1.9
198.98424	2.9
200.98264	7.3
201.01506	2.0
218.99318	2.5
223.06583	7.5
235.10678	2.1
235.28517	1.8
243.02617	4.3
245.04994	2.0
261.03513	3.4
265.07529	1.9
277.07782	2.8
303.04868	13.6
303.15442	5.4
319.08807	2.1
321.04370	2.4
321.10364	2.8
367.10992	9.5
397.12323	2.1
434.79065	1.8
435.11212	2.2
463.70462	1.9
464.46268	2.2
465.09241	100.0
465.20682	3.6
466.09955	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01849	0.5
55.05504	0.2
57.03176	0.2
57.03429	1.8
59.04988	0.2
61.02919	1.9
65.03921	0.3
67.05481	0.4
68.99776	0.6
69.03418	6.3
69.07053	0.2
69.42784	0.5
69.43209	0.6
70.06598	0.2
71.01337	0.2
71.04984	0.7
73.02901	1.4
75.04442	0.1
79.05486	0.7
81.03403	2.3
81.07056	0.6
83.01318	0.2
85.02890	16.0
85.06513	0.3
86.03223	0.1
87.04469	1.0
88.07233	0.1
91.03912	0.6
91.05458	0.8
93.03398	0.3
93.07027	2.8
95.04953	0.5
95.08570	0.6
97.02873	4.9
97.06491	0.2
98.97541	0.1
99.04432	1.2
101.02361	0.4
101.05991	0.4
103.03909	0.5
105.06985	0.5
107.04915	0.4
107.08558	1.0
109.02187	0.2
109.02861	2.2
109.06481	0.2
109.10137	0.5
111.00800	0.7
111.04406	0.2
111.08053	0.2
112.07590	0.2
112.68355	0.1
115.03924	0.4
117.07008	0.1
119.04916	0.3
119.08564	0.4
120.08057	0.1
121.02856	1.4
121.06478	0.3
121.09299	0.2
121.10123	2.8
122.05999	0.3
123.04393	0.3
123.08022	0.2
123.11696	0.2
124.07536	0.3
125.09593	0.1
126.05470	0.2
127.03891	3.9
129.06885	0.2
131.04877	0.2
131.08549	0.4
133.04924	0.3
133.06474	0.2
133.10078	0.2
135.04411	0.2
135.08058	0.5
135.11685	0.6
136.07555	2.2
137.02316	3.5
137.03386	0.2
137.05946	0.4
137.08032	0.2
137.09569	0.3
138.05487	0.5
139.11163	0.2
140.07040	0.4
145.04935	2.3
145.06226	0.2
145.06438	0.3
145.10097	0.2
147.04390	0.5
147.11630	0.2
149.02321	0.5
149.09593	1.1
150.05434	0.1
152.07050	0.6
153.01801	4.8
153.12769	0.3
155.04903	0.2
156.06387	0.1
158.08072	0.5
159.11656	0.1
161.05957	3.3
161.09573	0.6
163.03938	0.7
163.07549	0.3
164.07063	2.2
165.01802	2.0
165.09088	0.4
165.12688	0.1
166.02585	0.3
166.08589	0.2
167.07027	0.5
167.10652	0.7
173.05978	0.6
174.06761	0.2
175.07552	0.3
177.01855	0.2
177.05467	0.4
179.03389	0.2
181.08585	0.4
183.02849	0.9
183.04405	0.4
187.03867	0.3
189.09056	2.0
191.03381	0.3
191.06982	0.2
195.02882	0.2
201.05431	1.9
203.03337	0.1
205.04854	0.2
207.02695	0.2
207.10124	2.8
215.03540	0.2
217.05017	0.2
219.02901	0.2
219.06549	0.3
219.09975	0.2
228.04205	0.3
229.04921	4.8
235.25206	0.1
239.03455	0.3
245.04433	0.3
247.05981	0.8
249.18546	0.2
257.04428	3.4
258.05283	0.2
267.19565	0.2
273.03793	0.2
274.04684	1.0
275.05399	0.4
285.03967	1.4
285.12079	0.1
286.04697	0.4
287.05444	0.2
287.13797	0.2
293.13785	0.2
301.03534	0.2
302.04062	1.0
303.04938	100.0
304.05286	3.2
311.14893	0.8
313.03329	0.2
315.04889	0.2
317.13376	0.2
324.10568	0.4
327.04935	0.6
343.15436	0.3
345.05948	1.5
357.05905	0.2
357.91962	0.1
361.16434	0.6
447.09155	0.2
447.17773	0.3
465.03543	0.2
465.10165	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	464.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.9
55.05505	11.1
57.07069	9.7
64.11526	1.2
65.03932	1.0
66.48772	1.1
67.05498	19.0
68.72213	1.1
69.07059	16.8
70.03513	1.0
71.08608	3.5
79.05479	11.3
81.07048	58.9
83.08615	15.3
91.05435	8.5
93.07027	21.8
95.04947	2.6
95.08595	81.3
97.06507	1.2
97.10168	7.0
98.00425	1.1
98.21498	2.9
102.76777	1.1
105.07016	35.8
105.61313	1.0
107.07858	1.6
107.08585	30.4
109.06541	1.3
109.10139	33.2
111.11688	1.7
115.05437	1.4
117.06975	9.2
118.07809	1.1
119.08570	21.0
121.06518	1.8
121.10122	18.6
123.11698	21.2
125.09673	1.1
126.71707	1.1
128.06241	1.8
129.06996	9.4
130.07774	1.1
131.08556	23.8
131.09508	1.6
132.09322	2.6
133.10110	27.7
135.11670	17.3
137.13239	54.8
142.07776	4.4
143.08548	19.0
144.09225	1.7
145.09032	1.9
145.10115	27.0
145.11249	1.9
147.11681	22.8
149.09578	4.6
149.13255	19.5
151.07602	1.6
151.14799	4.4
155.08537	3.6
156.09346	3.0
157.10110	28.4
158.10854	1.6
159.11682	25.0
161.09615	1.9
161.13232	20.7
163.11134	2.6
163.14801	22.4
165.16426	2.5
169.10062	1.9
171.11664	16.1
173.13249	13.2
175.11192	2.9
175.14758	5.7
177.09105	2.0
177.16388	8.7
179.10786	1.4
179.14365	2.1
179.17889	2.1
183.11636	2.2
185.09627	2.9
185.13235	20.1
187.11217	2.2
187.14810	11.9
189.09178	1.6
189.12762	1.9
189.16408	2.6
191.10677	5.1
191.17856	5.2
192.17932	1.2
193.12215	3.2
195.10121	3.5
195.65289	1.3
197.13283	3.2
199.11078	1.8
199.14771	11.8
201.16374	4.9
203.10690	7.1
203.14317	4.5
203.17865	1.7
205.12212	3.9
207.13802	2.7
209.11632	9.2
211.14784	3.7
213.12740	2.4
213.16338	3.4
215.14107	1.4
215.17953	2.3
217.12251	11.0
217.15860	2.5
217.19446	1.6
219.13814	4.6
225.04198	1.3
225.16344	2.2
227.14345	2.0
229.12233	1.4
231.13792	18.7
233.15372	5.9
235.13315	3.1
237.14954	1.7
239.17934	2.2
245.15419	7.1
249.14844	5.9
253.19598	2.4
257.15424	1.8
263.16400	4.2
267.17316	1.1
267.21057	2.2
269.22577	3.9
271.16907	2.2
299.19885	1.6
313.21591	2.8
317.20947	1.6
323.27246	13.9
325.28854	3.9
341.24258	1.8
341.28366	29.5
351.26767	6.5
369.27838	100.0
370.28259	4.3
387.28891	92.4
388.29333	2.6
464.33777	25.7
465.35037	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49776	1.5
52.34185	1.9
53.03945	1.8
55.05494	7.5
57.07071	2.5
67.05491	18.0
69.07059	11.3
69.48765	1.8
71.04977	9.6
74.92066	1.7
79.05478	11.8
81.03412	3.2
81.07039	31.1
83.08609	4.1
85.06522	10.1
91.05456	17.4
92.05732	2.3
93.07025	29.5
95.04908	4.1
95.08585	46.9
97.06507	5.7
97.10166	2.5
99.08096	2.7
105.07009	39.4
107.08573	30.6
109.06490	5.5
109.10136	36.2
111.08054	6.6
113.09609	16.2
115.05428	1.7
117.06990	9.5
119.08562	30.2
121.06499	4.1
121.10114	29.8
123.08031	5.8
123.11677	9.7
125.09614	1.8
127.11166	1.9
127.27232	1.8
128.06210	5.6
129.06972	13.8
131.08546	35.4
131.48923	1.6
133.10118	31.4
135.07994	3.1
135.11673	16.0
137.09607	13.1
137.13245	3.1
139.03879	5.7
139.11099	2.2
141.06953	3.9
142.07738	9.2
143.08530	32.1
143.09540	3.1
144.09369	2.8
145.06445	2.4
145.10101	44.4
147.08009	6.5
147.11656	20.0
149.09579	7.6
149.13266	8.0
151.11143	5.9
153.12675	2.8
155.08540	21.7
156.09306	5.9
157.08778	2.5
157.10097	51.2
159.11656	29.4
161.09563	8.3
161.13232	16.9
163.11140	5.3
163.14789	4.0
165.06937	1.8
165.09068	3.4
165.12691	2.0
166.09393	5.0
167.08536	3.9
167.14342	1.7
168.09396	2.3
169.10127	22.9
170.10832	3.3
171.07976	2.5
171.11678	33.2
173.09601	7.4
173.13232	16.2
175.11150	9.9
175.14781	7.5
177.12730	4.9
179.14326	3.8
180.09361	3.1
181.10115	7.8
182.10909	2.4
183.11650	19.9
184.07385	2.1
185.09581	6.9
185.13232	30.0
187.11160	7.7
187.14806	11.5
189.12767	4.7
191.10773	2.8
193.10138	4.1
195.11642	15.0
196.12456	2.3
197.09589	3.1
197.13248	22.8
199.11150	5.6
199.14735	22.0
201.12715	7.0
201.16417	3.7
203.10632	4.2
203.14316	6.8
205.37347	1.8
207.11679	4.0
209.13251	9.0
210.13823	3.1
211.11281	3.3
211.14813	13.7
213.12701	13.7
213.16164	3.2
215.14316	4.7
217.12222	6.1
217.15723	2.9
221.13193	5.0
223.14821	5.5
225.12724	4.7
225.16280	8.4
227.14323	5.6
227.17882	2.5
229.12210	3.7
229.15820	2.9
231.13770	6.0
235.14801	4.0
237.16345	6.5
239.14249	2.2
239.17856	2.8
243.13795	4.6
245.15367	4.8
249.16347	5.3
251.17952	3.9
253.19421	4.2
257.15411	3.5
263.17944	3.8
265.19550	5.5
267.17392	3.3
269.18896	3.2
277.19531	4.4
279.21011	3.3
281.22592	5.1
291.20901	2.4
293.18863	2.5
295.20392	9.1
297.22202	3.4
299.23624	2.4
303.04944	2.6
305.22604	17.1
307.20633	3.1
307.24094	5.6
309.22028	2.8
315.21280	2.2
323.20325	3.1
323.23621	96.6
325.21524	9.5
325.25244	10.6
333.22003	10.2
341.24683	100.0
342.24905	4.9
343.22604	18.4
343.26251	2.9
351.23120	69.9
369.24179	85.6
387.25281	33.2
419.29248	4.3
464.30209	32.3
465.29849	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	464.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.4
57.03412	2.9
59.54269	1.7
65.43223	1.9
67.05159	2.4
67.05489	21.3
69.07064	12.5
71.04974	8.8
71.62801	2.7
79.05489	14.0
81.03400	4.2
81.07045	30.0
83.04975	2.4
83.08602	5.8
85.02830	2.6
85.06527	27.8
91.05453	15.9
93.07030	27.2
95.04934	5.3
95.08597	26.7
97.06487	5.1
97.10125	2.4
99.08093	2.3
105.06361	3.4
105.07010	34.9
107.01861	1.7
107.04952	1.8
107.08569	18.9
109.06461	3.3
109.10134	55.5
109.64419	1.8
111.08069	3.5
113.09626	20.8
117.06998	7.6
119.08549	23.0
121.06477	3.1
121.09299	2.8
121.10121	36.7
123.08074	2.3
123.11664	3.1
127.11158	8.3
128.06277	3.5
129.07013	9.4
131.08536	28.3
133.10121	18.8
135.11699	11.3
137.13278	3.0
141.06995	8.9
142.07755	3.5
143.08528	18.3
145.10097	24.6
147.08015	3.9
147.11642	10.5
149.09608	5.5
149.13226	4.7
155.08510	29.5
157.10098	23.7
159.08029	2.5
159.11681	17.0
161.09586	5.7
161.13232	34.6
163.11151	3.4
163.14778	5.3
167.08620	2.9
169.10063	22.4
170.10878	1.8
171.11728	15.2
173.09586	16.7
173.13194	5.6
175.11163	4.8
175.14818	3.7
177.12822	2.7
179.14304	27.5
180.09373	2.1
181.10085	6.2
182.10858	2.9
183.11667	15.5
185.13274	6.8
187.11122	9.6
187.14728	3.0
193.10103	2.7
193.12135	3.1
195.11707	10.4
196.12363	2.9
197.13214	21.6
199.11185	2.0
199.14822	4.9
201.12744	4.2
203.14372	2.2
207.11641	4.5
209.13242	11.8
211.10979	1.6
211.13104	2.1
211.14830	14.9
213.12802	2.0
213.16391	3.7
215.14262	4.9
221.13174	3.9
223.14781	5.7
225.12717	2.9
225.16353	4.5
227.14409	3.0
229.15854	4.1
235.14767	3.8
237.12778	2.3
237.16319	3.0
239.14349	3.2
239.18073	4.0
243.13705	5.9
249.16434	4.8
251.17886	3.2
253.15804	2.5
255.17538	2.3
257.15363	7.0
263.17798	2.1
265.19449	3.3
267.17648	3.4
269.18832	3.7
275.16318	2.6
277.19443	2.5
281.19058	1.9
283.20624	2.6
293.19095	2.9
295.20392	2.5
303.04950	2.9
305.22583	12.8
307.23969	2.2
307.33423	2.4
311.20117	3.0
323.23621	51.6
325.25278	7.9
333.22076	2.1
341.24701	100.0
342.25119	2.3
351.23077	34.1
369.24188	58.0
387.25266	22.9
464.30695	8.8
465.28574	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	464.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
54.60281	3.3
55.01849	4.9
55.05507	24.7
57.03422	10.6
57.07069	8.6
67.05497	51.7
69.03419	3.6
69.07056	33.4
69.63502	16.5
69.63923	8.8
70.06569	3.2
71.04964	3.6
76.39856	2.9
79.05475	30.0
80.05789	7.2
81.03422	3.4
81.07046	81.6
82.07381	7.9
83.04974	9.1
83.08618	19.8
85.37372	3.3
88.54364	2.9
91.05457	37.0
92.05799	3.5
93.07032	56.4
94.07357	6.8
95.04953	9.2
95.08591	100.0
97.06520	9.8
97.10168	5.7
105.07005	53.7
106.07346	3.8
107.08578	51.1
108.08881	2.9
109.06497	10.3
109.10144	37.8
111.08077	6.9
111.11686	4.0
117.07020	12.7
119.08558	42.2
121.06477	8.4
121.10149	35.1
123.04389	3.9
123.08096	5.2
123.11694	23.7
128.06235	7.8
129.07014	15.2
131.08565	42.2
133.10115	41.6
135.08061	4.1
135.11674	27.6
136.12032	6.1
137.09592	6.3
137.13237	12.3
139.11128	5.2
141.06947	8.9
142.07773	12.7
143.08548	46.7
145.10100	39.0
147.04390	26.5
147.11699	18.3
149.09584	7.0
149.13245	16.0
150.13597	4.1
151.11113	5.4
155.08533	37.9
156.09195	4.5
157.10104	50.1
159.08020	4.9
159.11681	43.8
160.12050	6.5
161.09615	9.2
161.13266	22.0
163.11151	9.1
163.14810	13.3
165.06998	4.1
167.08559	10.1
168.09389	5.5
169.10085	35.0
171.11642	36.6
173.09665	8.5
173.13266	19.7
175.11205	3.7
175.14876	5.3
179.08517	8.0
180.09280	5.2
181.10086	21.1
183.11665	29.5
185.09602	3.4
185.13249	21.8
187.11157	10.2
187.14793	5.7
189.12804	5.8
191.07011	35.8
192.09235	6.2
193.10085	9.5
194.10818	3.9
195.10187	3.9
195.11719	25.2
197.13260	20.1
199.11157	9.9
199.14700	14.9
201.09064	4.1
201.12740	7.3
201.16367	3.4
203.10736	3.7
206.10773	4.3
207.11673	11.8
209.13223	26.2
211.11340	4.1
211.14806	20.3
213.12723	8.8
213.16414	7.9
215.14357	4.0
217.12222	8.8
221.13271	9.4
223.14771	19.6
225.12868	4.2
225.16270	16.1
227.14362	7.4
229.12183	8.9
229.15868	5.3
234.13860	4.1
235.14774	10.3
237.16362	9.5
239.14348	7.4
239.17934	4.2
241.12329	4.8
241.15828	6.6
243.13858	5.5
249.16354	12.8
251.17943	9.2
255.13760	8.5
257.15472	5.7
259.13489	4.0
259.16788	4.0
263.17902	4.7
265.19443	4.2
267.13794	5.7
267.17520	4.3
269.15356	8.8
273.14731	6.3
275.16458	4.2
279.20947	10.4
281.15302	4.7
281.18903	4.9
281.22592	3.6
287.16495	5.0
295.20734	3.7
295.23889	5.7
300.28946	10.8
303.04892	14.5
305.22559	24.3
307.24222	13.4
323.23639	68.1
325.21600	25.2
325.25043	7.2
333.21893	5.0
341.24631	48.5
343.22614	17.1
351.23090	73.8
369.24146	81.6
369.28458	6.1
387.25143	23.2
404.27850	6.1
419.30701	3.9
446.29752	4.9
446.36722	4.6
464.28564	31.8
464.33624	24.2
465.28970	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	464.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
54.60281	3.3
55.01849	4.9
55.05507	24.7
57.03422	10.6
57.07069	8.6
67.05497	51.7
69.03419	3.6
69.07056	33.4
69.63502	16.5
69.63923	8.8
70.06569	3.2
71.04964	3.6
76.39856	2.9
79.05475	30.0
80.05789	7.2
81.03422	3.4
81.07046	81.6
82.07381	7.9
83.04974	9.1
83.08618	19.8
85.37372	3.3
88.54364	2.9
91.05457	37.0
92.05799	3.5
93.07032	56.4
94.07357	6.8
95.04953	9.2
95.08591	100.0
97.06520	9.8
97.10168	5.7
105.07005	53.7
106.07346	3.8
107.08578	51.1
108.08881	2.9
109.06497	10.3
109.10144	37.8
111.08077	6.9
111.11686	4.0
117.07020	12.7
119.08558	42.2
121.06477	8.4
121.10149	35.1
123.04389	3.9
123.08096	5.2
123.11694	23.7
128.06235	7.8
129.07014	15.2
131.08565	42.2
133.10115	41.6
135.08061	4.1
135.11674	27.6
136.12032	6.1
137.09592	6.3
137.13237	12.3
139.11128	5.2
141.06947	8.9
142.07773	12.7
143.08548	46.7
145.10100	39.0
147.04390	26.5
147.11699	18.3
149.09584	7.0
149.13245	16.0
150.13597	4.1
151.11113	5.4
155.08533	37.9
156.09195	4.5
157.10104	50.1
159.08020	4.9
159.11681	43.8
160.12050	6.5
161.09615	9.2
161.13266	22.0
163.11151	9.1
163.14810	13.3
165.06998	4.1
167.08559	10.1
168.09389	5.5
169.10085	35.0
171.11642	36.6
173.09665	8.5
173.13266	19.7
175.11205	3.7
175.14876	5.3
179.08517	8.0
180.09280	5.2
181.10086	21.1
183.11665	29.5
185.09602	3.4
185.13249	21.8
187.11157	10.2
187.14793	5.7
189.12804	5.8
191.07011	35.8
192.09235	6.2
193.10085	9.5
194.10818	3.9
195.10187	3.9
195.11719	25.2
197.13260	20.1
199.11157	9.9
199.14700	14.9
201.09064	4.1
201.12740	7.3
201.16367	3.4
203.10736	3.7
206.10773	4.3
207.11673	11.8
209.13223	26.2
211.11340	4.1
211.14806	20.3
213.12723	8.8
213.16414	7.9
215.14357	4.0
217.12222	8.8
221.13271	9.4
223.14771	19.6
225.12868	4.2
225.16270	16.1
227.14362	7.4
229.12183	8.9
229.15868	5.3
234.13860	4.1
235.14774	10.3
237.16362	9.5
239.14348	7.4
239.17934	4.2
241.12329	4.8
241.15828	6.6
243.13858	5.5
249.16354	12.8
251.17943	9.2
255.13760	8.5
257.15472	5.7
259.13489	4.0
259.16788	4.0
263.17902	4.7
265.19443	4.2
267.13794	5.7
267.17520	4.3
269.15356	8.8
273.14731	6.3
275.16458	4.2
279.20947	10.4
281.15302	4.7
281.18903	4.9
281.22592	3.6
287.16495	5.0
295.20734	3.7
295.23889	5.7
300.28946	10.8
303.04892	14.5
305.22559	24.3
307.24222	13.4
323.23639	68.1
325.21600	25.2
325.25043	7.2
333.21893	5.0
341.24631	48.5
343.22614	17.1
351.23090	73.8
369.24146	81.6
369.28458	6.1
387.25143	23.2
404.27850	6.1
419.30701	3.9
446.29752	4.9
446.36722	4.6
464.28564	31.8
464.33624	24.2
465.28970	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	464.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.8
53.03923	3.6
55.01851	3.5
55.05500	6.0
55.09110	0.9
57.03427	8.8
57.07045	1.2
59.04991	0.9
60.08146	1.2
61.02917	5.5
61.92329	0.8
65.03923	1.9
67.05495	5.1
69.03085	0.8
69.03426	14.6
69.07054	6.3
69.33172	8.3
70.03741	0.8
70.06579	0.9
71.01328	1.9
71.04961	2.4
72.04502	1.1
73.02908	19.6
79.05479	13.6
81.03413	4.8
81.07046	9.7
83.04966	2.5
83.08575	1.2
85.02894	25.6
85.06516	2.1
86.09672	6.6
87.04444	3.1
90.80248	0.9
91.05464	22.8
92.05770	0.9
93.07030	92.0
94.07322	2.5
95.04945	9.2
95.08592	6.8
96.04466	1.2
97.02872	18.7
97.06501	1.7
97.10158	1.9
98.20715	1.6
99.04448	2.5
103.03945	1.1
103.05441	1.5
105.03380	1.5
105.04456	1.3
105.07021	10.2
106.07387	0.9
107.04921	1.1
107.08579	100.0
108.08897	2.7
109.02853	3.6
109.06538	4.4
109.10134	5.6
110.10511	0.8
111.04413	1.4
111.08054	1.5
115.03914	11.5
117.06982	0.9
119.04922	7.3
119.05711	1.1
119.06095	0.9
119.08546	6.1
121.06478	1.5
121.10110	6.3
123.04393	3.4
123.11665	2.6
124.99964	4.5
125.05938	1.1
125.09621	2.1
127.03915	6.2
131.04860	2.5
131.08525	1.3
132.06548	1.7
133.04939	13.0
133.10091	4.4
135.08008	2.4
135.11671	53.5
136.11960	1.0
137.05957	1.7
137.09543	3.5
137.13210	1.1
139.03909	1.4
145.04929	9.9
145.10138	2.1
147.04391	33.8
147.11655	3.1
148.04713	2.6
149.09549	1.4
149.13301	1.3
150.07585	3.6
151.03819	2.1
152.04161	1.1
153.12723	3.9
153.32233	0.9
154.08598	2.6
155.10667	1.6
156.06580	1.5
157.10048	1.3
159.11684	2.2
163.05997	3.3
163.11116	1.5
165.05371	1.1
165.09062	2.2
165.12675	1.2
173.13226	1.6
177.05383	1.4
181.12186	1.0
184.07326	25.0
197.08086	2.4
201.11180	2.0
203.17882	2.9
221.18892	4.1
223.05977	1.4
241.07043	2.2
245.08148	1.2
249.14729	1.6
249.18564	1.6
259.07990	2.0
267.15857	2.7
267.19510	3.8
277.09061	0.9
303.04938	2.3
318.64459	0.8
428.29028	1.0
447.27396	1.2
464.27368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.01864	1.6
55.05503	2.7
57.03435	1.3
67.05505	14.2
69.03416	5.5
69.07064	2.4
70.91728	3.3
73.02908	1.5
79.05473	4.0
81.03411	16.6
81.07049	11.8
83.04975	2.0
85.02885	5.5
91.05469	4.9
93.07036	9.4
95.04951	4.1
95.08596	9.3
97.02895	4.7
97.06512	2.7
97.10139	1.8
99.04435	3.0
103.05429	1.1
105.07040	5.1
107.08582	8.5
108.72884	1.0
109.02858	18.2
109.06519	3.5
109.10145	41.7
110.10504	1.6
111.04404	1.6
111.08091	1.1
119.04942	2.7
119.08568	3.3
121.02863	2.1
121.06514	1.3
121.10133	4.2
123.11700	1.2
125.05964	3.0
125.09638	1.5
127.03922	10.2
133.10103	8.9
134.10451	3.7
135.07999	2.2
135.10783	1.7
135.11703	5.3
137.05962	1.7
137.09602	100.0
138.05469	1.0
138.09921	1.6
145.10094	2.6
147.04401	14.3
147.11717	1.1
148.04715	1.2
149.09613	1.2
155.10646	5.9
163.03793	1.1
163.07469	1.1
165.09096	91.7
166.09514	1.5
173.13161	1.2
183.10185	6.7
187.81210	1.0
201.11191	12.8
249.14684	1.1
291.12296	8.7
303.05029	3.3
309.13293	61.2
310.13794	1.2
327.14285	12.2
345.15509	3.4
411.19708	1.6
464.27081	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.8
53.03923	3.6
55.01851	3.5
55.05500	6.0
55.09110	0.9
57.03427	8.8
57.07045	1.2
59.04991	0.9
60.08146	1.2
61.02917	5.5
61.92329	0.8
65.03923	1.9
67.05495	5.1
69.03085	0.8
69.03426	14.6
69.07054	6.3
69.33172	8.3
70.03741	0.8
70.06579	0.9
71.01328	1.9
71.04961	2.4
72.04502	1.1
73.02908	19.6
79.05479	13.6
81.03413	4.8
81.07046	9.7
83.04966	2.5
83.08575	1.2
85.02894	25.6
85.06516	2.1
86.09672	6.6
87.04444	3.1
90.80248	0.9
91.05464	22.8
92.05770	0.9
93.07030	92.0
94.07322	2.5
95.04945	9.2
95.08592	6.8
96.04466	1.2
97.02872	18.7
97.06501	1.7
97.10158	1.9
98.20715	1.6
99.04448	2.5
103.03945	1.1
103.05441	1.5
105.03380	1.5
105.04456	1.3
105.07021	10.2
106.07387	0.9
107.04921	1.1
107.08579	100.0
108.08897	2.7
109.02853	3.6
109.06538	4.4
109.10134	5.6
110.10511	0.8
111.04413	1.4
111.08054	1.5
115.03914	11.5
117.06982	0.9
119.04922	7.3
119.05711	1.1
119.06095	0.9
119.08546	6.1
121.06478	1.5
121.10110	6.3
123.04393	3.4
123.11665	2.6
124.99964	4.5
125.05938	1.1
125.09621	2.1
127.03915	6.2
131.04860	2.5
131.08525	1.3
132.06548	1.7
133.04939	13.0
133.10091	4.4
135.08008	2.4
135.11671	53.5
136.11960	1.0
137.05957	1.7
137.09543	3.5
137.13210	1.1
139.03909	1.4
145.04929	9.9
145.10138	2.1
147.04391	33.8
147.11655	3.1
148.04713	2.6
149.09549	1.4
149.13301	1.3
150.07585	3.6
151.03819	2.1
152.04161	1.1
153.12723	3.9
153.32233	0.9
154.08598	2.6
155.10667	1.6
156.06580	1.5
157.10048	1.3
159.11684	2.2
163.05997	3.3
163.11116	1.5
165.05371	1.1
165.09062	2.2
165.12675	1.2
173.13226	1.6
177.05383	1.4
181.12186	1.0
184.07326	25.0
197.08086	2.4
201.11180	2.0
203.17882	2.9
221.18892	4.1
223.05977	1.4
241.07043	2.2
245.08148	1.2
249.14729	1.6
249.18564	1.6
259.07990	2.0
267.15857	2.7
267.19510	3.8
277.09061	0.9
303.04938	2.3
318.64459	0.8
428.29028	1.0
447.27396	1.2
464.27368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.01854	2.7
57.03426	3.2
57.04027	0.5
61.02911	8.0
61.17256	0.5
69.03414	14.6
69.77676	2.2
69.78101	1.9
71.04975	2.4
73.02902	3.8
76.87091	0.6
81.03403	7.2
83.01323	0.6
85.02885	100.0
87.04435	2.3
91.03936	4.8
95.04924	0.6
97.02871	24.4
99.04408	3.7
101.02354	0.7
103.03948	0.9
105.03370	8.2
105.06992	6.6
109.02844	8.4
115.03899	1.5
123.04413	1.7
127.03888	26.1
142.24760	0.6
145.04929	54.1
147.04276	0.9
147.08112	1.1
152.89731	0.5
161.06023	1.1
162.75858	0.5
163.05984	30.7
178.06187	1.0
189.09076	0.6
193.08589	0.8
213.09067	0.8
224.53271	0.6
231.10135	2.7
243.08722	5.8
244.09557	2.4
249.07571	1.7
249.11130	0.9
267.08667	6.2
267.11868	0.9
271.08099	0.6
285.13367	4.9
289.09198	0.8
303.05017	2.3
303.13535	0.7
325.11255	3.3
378.15326	4.1
379.16098	1.6
396.60059	0.5
410.14771	0.7
421.50012	0.8
428.15506	1.0
446.16254	1.6
464.17035	3.4
465.18814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.2
55.05504	0.5
56.05018	0.4
57.03417	0.3
57.07075	0.2
58.06354	0.2
58.06608	0.4
60.08158	5.7
60.08465	0.3
67.05497	0.8
69.03412	0.6
69.07055	0.4
70.97623	0.4
71.04956	0.3
71.07366	2.4
73.02911	0.2
79.05491	0.8
81.03403	0.7
81.07050	0.9
83.04945	0.2
85.02896	0.6
86.09696	27.9
87.10018	0.3
87.67361	0.1
91.05472	0.7
93.07034	1.6
95.04951	0.4
95.08598	0.8
97.02917	0.4
97.06536	0.3
97.10175	0.2
98.98454	2.3
99.04415	0.4
104.10729	3.4
105.03385	0.5
105.07027	1.1
107.08583	1.9
109.02873	0.4
109.10142	0.3
111.08057	0.2
119.04970	0.3
119.08589	0.6
121.06509	0.4
121.10144	0.8
123.04432	0.5
124.99992	18.9
125.06029	0.3
127.03897	0.4
129.06952	0.2
131.08548	0.3
133.10130	0.3
135.07993	0.3
135.11662	1.0
143.01056	0.3
143.08531	0.2
145.10130	0.4
147.04379	0.7
147.11633	0.4
149.06067	0.2
149.09618	0.2
151.03925	0.6
151.07617	0.2
152.04268	0.3
159.11749	0.2
163.03828	0.2
163.11151	1.1
171.11595	0.3
173.09647	0.2
173.13235	0.2
177.05344	0.2
181.12257	0.2
184.07321	100.0
185.07645	1.1
191.10680	0.8
197.08078	0.5
198.08435	0.4
209.11746	0.3
227.12738	0.6
258.11041	0.2
273.86111	0.2
303.05008	0.4
311.16400	0.2
312.16794	0.3
317.14017	0.3
335.14749	0.3
353.15796	1.0
356.92624	0.2
446.22885	1.4
464.24078	6.7
465.23859	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32757	2.3
50.45885	2.0
52.55373	2.2
53.03918	2.5
55.01857	4.0
57.03426	5.9
62.06064	8.7
63.18213	2.1
69.03424	10.3
69.58866	17.9
70.06585	3.5
79.05475	4.2
81.03374	4.3
81.07021	3.2
85.02885	16.2
91.05444	15.3
95.04945	4.3
97.02842	3.5
98.21465	4.5
103.05449	4.6
105.03373	7.9
105.07014	29.2
107.04914	7.8
107.08561	2.3
109.02872	2.3
109.06486	4.2
111.04440	2.5
115.05408	4.3
115.34077	2.0
119.04924	28.1
121.02863	9.5
121.06476	9.4
121.10095	2.6
122.06027	2.1
123.04415	4.1
124.07571	2.0
125.05924	2.5
129.05496	2.4
131.04890	2.9
133.06470	24.9
135.04362	5.1
136.05132	3.2
139.03880	6.1
140.04651	8.4
143.69473	2.1
145.04913	2.7
147.04395	8.5
149.05942	19.5
151.06422	2.3
151.07539	14.2
153.05443	53.6
154.06221	3.1
161.05946	54.1
161.07243	4.7
162.05428	7.8
163.03838	4.4
165.05365	3.6
167.06999	15.7
168.07785	76.6
177.05443	4.0
178.06172	13.8
179.06999	9.6
181.08575	5.4
183.08604	2.9
189.05386	2.2
193.08580	86.1
194.08893	2.4
196.07265	64.3
202.12257	3.7
203.12532	3.3
209.08047	10.7
211.09612	100.0
225.05362	2.3
232.10297	2.6
243.08694	4.2
248.12772	5.2
249.13138	6.1
267.12289	13.0
269.12494	3.7
285.13266	98.5
286.13678	2.9
294.07523	4.4
299.13901	2.9
303.04953	8.2
303.13269	6.4
305.08032	2.4
315.13223	5.7
316.14078	6.1
319.16467	3.2
320.16687	2.6
428.15115	4.1
429.16302	2.4
432.62717	2.9
446.16223	8.4
447.17444	10.9
464.16870	16.2
464.25815	8.2
465.18448	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	463.3777
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
55.05497	35.0
57.07067	30.1
62.25375	8.9
62.85538	9.6
63.47443	10.6
67.05489	34.6
69.07063	55.6
71.08617	28.1
79.05492	12.6
81.07063	55.9
83.08607	36.9
85.10173	17.1
91.05460	24.8
93.07037	29.9
95.08604	69.1
97.06424	9.6
97.10176	30.6
105.07029	32.5
107.08575	29.1
107.94198	8.5
109.10143	39.9
111.11708	20.3
116.55621	9.7
119.08582	28.6
121.10188	13.1
123.08080	9.2
123.11667	17.6
125.02293	13.7
125.05943	15.0
131.08517	20.0
133.10106	26.7
135.11653	17.2
137.05952	28.8
145.10120	34.9
147.11667	43.3
157.10164	9.5
159.11693	33.8
161.13217	16.4
163.11234	10.4
173.13263	23.2
175.14743	18.3
179.07047	14.2
194.58530	9.2
197.04453	41.2
199.14908	11.5
241.19626	10.2
255.12068	9.2
368.96667	11.1
381.35138	65.6
391.32892	9.3
399.36124	57.0
403.35739	10.3
409.34613	44.7
427.35529	100.0
445.36523	72.8
463.38129	19.4
468.60968	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01858	2.0
57.03437	3.7
57.21340	0.5
59.04997	0.6
59.70673	0.5
60.04513	1.1
61.02919	8.7
69.03421	16.8
69.99177	0.5
70.15955	2.7
71.04974	2.2
73.02913	3.0
79.05473	2.0
81.03414	6.6
84.04483	0.6
85.02894	100.0
86.03249	0.7
87.04456	1.8
91.03941	5.7
95.04962	0.7
97.02879	26.3
98.03185	0.5
98.06010	0.7
99.04440	4.4
103.03949	0.7
105.03382	11.6
109.02857	8.4
115.03927	1.6
120.04438	1.4
121.02861	0.8
123.04410	9.1
126.05493	0.9
127.03900	30.5
135.04446	0.6
139.03922	0.8
144.06555	3.2
145.04939	56.4
146.05235	0.9
162.07605	1.7
163.03897	1.3
163.05997	23.7
166.08609	0.8
180.08661	1.2
201.94313	0.6
258.54306	0.5
267.08578	5.7
285.09735	2.3
303.04889	4.2
325.11362	1.1
464.23584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3774
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01849	2.1
55.05509	13.7
56.56018	1.4
57.07071	34.1
64.77844	1.3
67.05480	8.3
69.07060	26.8
71.08623	26.6
76.50658	1.7
79.05472	4.5
81.07043	18.7
83.08602	16.7
85.10170	14.1
91.05460	3.4
93.07035	7.1
94.76928	1.6
95.08601	16.3
97.06563	2.1
97.10175	10.5
99.04434	4.2
105.07014	6.4
105.51315	1.4
107.08591	7.0
109.06503	13.0
109.10140	11.1
111.08070	2.1
111.11693	5.7
119.08571	5.2
120.59637	1.4
121.06484	2.8
121.10126	4.9
123.08041	10.0
123.11695	3.4
125.05997	14.5
125.09667	1.8
125.13284	2.0
127.07536	39.1
131.08618	2.5
133.10066	3.4
135.08060	3.7
135.11688	4.5
137.05965	5.7
137.09608	2.3
139.07520	100.0
144.22884	1.4
146.29390	1.5
147.11702	3.2
149.05952	5.7
149.09648	2.6
151.07510	8.5
153.09151	2.0
161.13297	2.1
163.07646	2.6
165.09131	4.0
167.07013	6.1
169.08652	3.6
170.54373	1.5
175.11224	1.8
175.14775	2.0
177.09047	11.9
179.07098	2.4
182.98409	1.4
185.08075	1.7
191.14378	1.6
203.14209	1.6
230.26239	1.4
301.29065	4.0
319.29941	11.3
347.33078	14.9
373.30933	4.0
399.36298	3.9
403.35773	3.0
417.37186	17.3
427.35648	4.4
445.36746	56.5
446.37289	2.0
463.37750	48.6
464.38226	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3773
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03925	1.3
54.98527	1.0
55.05247	1.3
55.05500	12.9
57.07068	31.7
67.05488	6.6
69.03416	1.2
69.07058	25.0
71.05003	1.1
71.08234	1.4
71.08621	24.5
79.05467	4.2
81.07050	19.0
81.41496	0.8
83.01302	1.2
83.08602	15.3
85.06480	1.0
85.10167	14.4
91.05446	3.3
93.07040	6.4
95.08589	15.5
97.02876	1.2
97.06513	2.9
97.10164	12.0
98.20683	2.1
99.04444	3.0
99.11689	1.1
101.83120	1.0
105.07012	8.5
107.08556	7.1
107.91024	1.0
109.06512	14.2
109.10127	8.6
111.08047	3.3
111.11665	6.3
113.13305	1.2
119.08546	4.9
121.06493	3.2
121.10130	5.2
123.08059	11.8
123.11687	4.0
125.05972	16.4
125.09592	1.6
125.13258	1.8
126.06757	1.1
127.07539	40.1
131.08559	2.0
133.10121	3.2
135.08005	3.6
135.11682	2.6
137.05984	5.7
137.09581	4.3
139.07515	100.0
145.10138	1.6
147.11639	2.9
149.05937	4.4
149.09599	3.6
149.13219	1.5
151.07536	7.1
151.11121	1.5
152.17209	1.0
159.11758	1.3
161.09543	1.2
161.13231	1.3
163.07529	2.4
165.09099	2.6
167.06973	4.9
169.08583	2.2
174.34857	1.1
175.11075	1.6
175.14877	1.7
177.09097	12.4
177.12737	1.6
179.10603	1.9
187.14813	1.1
189.12703	2.2
193.12253	1.4
195.10118	1.2
201.92575	1.3
219.13788	1.2
231.13649	1.0
235.16943	1.2
249.14848	2.7
277.21643	1.1
301.28729	5.6
319.22699	1.0
319.29855	12.3
347.33005	14.2
363.66724	1.2
373.30930	4.7
385.34561	1.2
399.36096	3.6
403.22412	1.1
403.35580	3.3
417.37198	17.2
427.35648	4.1
445.36725	77.8
446.36932	3.0
463.37769	79.5
464.38171	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3776
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05506	44.9
57.07066	58.0
63.71910	5.1
67.05498	25.4
69.07059	76.5
71.08624	48.4
72.63531	4.6
79.05468	18.9
81.07038	47.4
83.08604	65.5
85.10160	29.6
91.05473	19.9
93.07015	29.9
95.08596	51.6
97.10149	41.5
98.20748	13.6
99.04388	4.5
104.90453	4.2
105.07021	38.8
107.08589	48.5
109.06496	19.7
109.10150	31.4
111.08067	18.0
111.11691	28.6
119.08574	38.9
121.06474	6.6
121.10125	25.7
123.08054	21.9
123.11697	16.0
125.05946	9.3
125.13236	9.5
131.08521	11.0
133.10121	29.6
133.46706	4.4
135.08038	36.2
135.11630	15.2
137.05963	8.7
137.09573	6.3
137.13275	6.4
139.07544	12.8
143.08548	5.9
145.10080	12.1
147.07990	10.6
147.11688	25.5
147.22638	4.2
149.09610	12.7
149.13237	14.4
151.07552	16.0
151.11104	6.0
155.78783	5.1
157.10109	10.4
159.07947	5.3
159.11636	14.8
161.09587	8.7
161.13243	35.6
163.11143	6.5
163.14822	11.2
165.09120	7.1
167.06982	14.9
169.44997	4.2
171.11674	10.1
173.13266	11.2
175.11143	15.9
175.14769	8.9
177.09097	17.8
177.12708	5.6
179.10703	5.9
181.08543	12.0
189.12712	19.5
193.08578	9.8
199.14798	4.9
203.10735	7.3
203.14503	10.1
217.12234	4.3
231.13708	8.3
231.20946	4.8
235.13222	9.8
237.14857	8.0
249.14804	9.6
263.16458	9.0
287.20032	5.0
291.19543	9.9
301.21600	5.5
305.21069	12.7
307.29852	6.3
315.23465	6.7
319.22690	8.3
333.24152	6.4
347.25906	9.1
357.35004	35.3
361.27203	8.1
375.28827	9.1
375.36322	11.4
385.34619	14.2
399.36118	27.3
403.35614	7.2
417.37256	32.8
427.35757	46.8
445.36710	100.0
463.22379	5.9
463.37933	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	463.3777
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
52.31124	1.0
53.03940	1.6
55.05504	17.9
57.07067	5.7
59.06229	1.1
65.56012	1.1
67.05492	6.5
69.03412	1.6
69.07059	17.0
69.37069	6.3
69.37502	4.7
71.08644	3.0
72.75471	1.2
79.05472	2.6
81.07049	13.4
83.04971	36.2
83.08607	10.6
91.05463	4.4
93.07044	11.2
95.04950	2.0
95.08597	10.8
97.06535	2.0
97.10171	5.6
99.08086	2.0
105.07002	2.0
107.08575	6.6
109.06520	3.3
109.10146	6.8
111.08061	4.6
111.11675	2.3
117.07008	2.5
118.50282	1.1
119.08583	2.9
121.06487	20.1
121.10149	3.5
123.08064	3.8
123.11677	4.1
125.05963	1.4
125.09602	1.8
127.07536	8.6
131.08565	1.3
133.10156	2.8
135.08046	9.0
135.11656	1.7
137.09593	5.6
139.07524	50.6
145.10101	2.1
147.11632	2.1
149.09584	3.0
149.13225	1.6
151.07513	1.4
153.09129	6.2
159.11658	1.8
161.13327	1.6
163.07532	11.5
163.11049	1.7
165.09105	4.7
169.08612	2.8
171.11707	1.2
171.13809	5.6
173.13176	1.9
175.11189	1.6
177.09108	1.5
181.08549	12.7
181.12157	2.5
189.12671	1.1
191.10553	1.3
223.13251	1.4
241.39230	1.1
251.16481	1.3
307.22787	2.0
321.23981	1.2
360.23032	1.1
404.29257	1.1
427.35748	2.7
445.36728	59.8
446.37155	1.8
448.18591	1.2
463.21027	5.8
463.37772	100.0
464.38037	3.0
474.46356	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3774
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.39988	2.3
55.01861	3.5
55.05502	33.5
57.07066	27.8
62.87541	2.4
67.05499	24.2
69.03427	2.9
69.06717	3.7
69.07056	53.6
69.38585	26.4
71.01324	3.4
71.08623	36.5
79.05473	21.9
81.07050	66.1
83.04986	3.7
83.08612	25.5
85.10167	20.7
89.02348	4.2
91.05450	23.5
93.07032	48.9
95.04976	4.2
95.08593	70.6
96.40707	2.6
97.06506	4.3
97.10148	22.1
105.06374	4.0
105.07012	50.5
107.08578	47.4
107.09291	5.4
109.06506	4.5
109.10143	44.7
111.04513	2.9
111.08083	3.1
111.11709	14.2
117.06999	10.8
119.08568	34.6
121.06484	2.8
121.10118	32.1
123.08001	3.8
123.11667	22.7
125.05958	3.8
125.13264	5.4
129.05467	3.8
129.06950	5.7
131.08559	27.4
133.10107	34.5
135.08070	3.7
135.11659	30.1
137.05986	3.3
137.09503	2.7
137.13217	7.9
139.07510	6.8
139.14897	2.4
143.07021	6.4
143.08527	6.6
145.10094	33.0
147.11668	30.6
149.09628	3.3
149.13252	18.3
151.14844	4.0
155.07005	6.8
155.08516	2.5
157.10133	11.6
159.11671	29.6
161.09560	2.8
161.13225	17.8
163.07628	2.3
163.14799	10.1
165.09082	10.8
167.07043	4.6
169.08617	2.9
171.11719	11.8
173.09598	2.8
173.13266	15.1
175.11198	3.3
175.14812	9.5
177.09071	6.0
177.16374	4.4
183.11583	3.8
185.13203	13.6
187.14784	11.3
189.12727	3.1
189.16351	11.2
191.10660	16.5
191.74715	2.6
193.12180	6.2
199.11087	3.4
199.14752	7.1
201.16348	7.5
203.10608	2.9
203.17955	5.3
205.12207	5.1
207.21046	4.2
213.12697	3.3
213.16354	7.6
215.17783	2.9
217.19493	2.7
219.13783	9.8
221.22646	4.6
227.17900	6.6
229.19696	3.1
231.13805	4.4
231.21065	3.6
233.15196	6.2
233.22488	3.3
245.15343	7.3
247.16867	2.7
247.24117	5.8
252.02255	2.6
259.16974	6.0
261.25751	6.5
263.16345	5.0
273.18521	9.4
287.20065	10.6
287.27203	3.1
291.19501	3.2
305.21066	5.3
314.51724	2.8
315.23151	3.9
329.24896	2.7
341.32092	11.5
343.26944	2.7
343.33609	27.8
344.34222	2.9
367.33414	8.2
385.34491	7.8
401.33923	3.1
409.34805	6.2
427.35638	66.9
445.30469	4.9
445.36710	100.0
463.37521	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	463.3047
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02377	1.1
53.03930	4.1
55.01868	2.9
55.05504	14.9
57.03431	5.5
57.07059	3.3
60.64827	0.6
61.48977	0.8
65.03934	2.8
67.05494	67.0
68.55012	0.8
69.03415	1.1
69.07057	23.8
69.96803	2.2
69.97218	2.2
71.01330	1.2
71.04978	4.7
73.02917	0.9
76.09291	0.7
76.85127	0.7
77.03947	1.0
79.05479	42.5
81.03416	3.0
81.07043	82.9
82.07379	1.3
83.04967	8.0
83.08604	13.0
85.02884	0.9
85.06529	5.9
86.67290	0.8
88.59734	0.8
91.05467	24.2
93.07027	66.2
95.04955	7.6
95.08588	23.3
97.06512	11.0
97.07117	0.8
97.10156	2.4
99.08067	4.3
105.04528	1.0
105.07009	11.7
107.04960	1.4
107.08575	35.1
109.06513	5.6
109.10128	6.1
109.30196	0.7
111.08069	9.2
111.11716	1.3
117.06996	10.5
119.06069	0.7
119.08560	6.6
121.06516	1.6
121.10117	21.0
123.04495	1.1
123.08081	2.2
123.11721	2.4
125.09634	1.7
127.07560	1.0
127.35740	0.8
129.07018	2.2
131.08548	11.3
133.10115	11.3
135.08061	3.3
135.11667	11.1
135.51872	0.8
137.09602	0.9
139.07495	1.0
139.11220	2.7
143.08553	2.4
145.10115	3.7
147.11681	2.4
149.09691	2.5
149.13234	43.0
151.07619	1.5
151.11197	1.8
152.07898	1.3
155.08630	1.3
157.10135	2.0
159.11668	17.9
161.13264	1.2
163.11232	1.0
165.12787	1.1
167.14407	1.3
169.10179	0.9
171.11650	1.5
173.13269	1.3
177.12735	8.6
181.10094	0.9
183.11671	1.6
185.13243	1.1
195.11974	1.3
195.13773	16.3
195.15459	1.1
197.13245	1.5
199.14874	1.3
209.13318	0.9
213.14764	3.6
220.12369	0.8
227.12752	1.5
233.15488	0.8
237.16515	0.8
251.16455	1.0
277.05948	0.8
371.26053	1.2
445.29297	2.7
463.30637	100.0
464.31076	2.8
467.84311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3046
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03933	4.4
53.61090	0.9
55.01862	4.6
55.05253	1.7
55.05503	24.6
57.03428	6.7
57.07058	3.1
63.96904	1.1
65.03930	3.4
67.05495	71.6
69.03416	2.9
69.07056	27.6
70.48968	0.9
71.01353	1.3
71.04971	7.2
71.63121	1.6
74.92223	0.9
77.03920	1.4
79.05480	52.0
81.03400	3.7
81.07043	87.9
82.07400	1.4
83.04969	7.8
83.08606	15.3
85.06541	4.6
90.58165	0.9
91.05463	43.5
92.05780	1.0
93.07028	68.5
95.04958	8.5
95.08591	34.0
97.02901	1.2
97.06501	10.8
97.10158	3.7
99.04424	1.3
99.08080	3.2
103.05460	1.0
105.07014	37.7
106.07267	1.1
107.04945	3.7
107.07858	1.9
107.08575	36.5
107.09283	2.0
109.06496	6.9
109.10146	10.2
111.08055	7.9
117.07000	22.3
119.08559	21.2
121.06486	5.5
121.10120	21.8
123.08048	3.7
123.11700	4.2
125.09617	3.1
128.06215	2.2
129.06981	10.0
131.08546	31.8
133.06479	3.0
133.10112	19.7
135.08038	4.5
135.11670	11.5
137.09569	1.4
139.07564	1.2
139.11162	1.4
141.06998	3.9
143.08546	11.0
145.06500	1.3
145.10098	16.7
147.08035	2.8
147.11671	6.5
149.09631	4.1
149.13234	28.9
151.11195	2.1
155.08514	5.3
157.10103	10.4
159.11658	17.8
161.09529	1.5
161.13303	2.9
163.11145	1.9
167.08517	2.1
169.10149	4.1
171.08051	1.0
171.11661	6.8
173.13268	3.8
175.11162	1.7
175.14861	2.9
177.12743	8.3
181.10104	3.1
182.10953	1.4
183.11671	2.8
185.13222	2.3
187.11223	1.5
187.14821	3.6
189.12740	1.5
195.11929	2.3
195.13773	14.5
197.13300	2.9
199.14833	2.6
201.12753	2.0
201.16376	1.5
203.14270	1.3
209.13254	1.9
211.14857	2.9
213.12869	1.3
213.14789	2.0
213.16660	1.1
215.14314	2.1
223.14868	1.4
225.16417	1.7
233.15424	1.9
237.16441	1.4
245.15388	1.6
247.17073	2.2
259.16898	2.7
261.18524	1.8
269.10281	1.4
273.18604	1.5
287.05624	1.2
325.25424	3.1
335.23691	3.6
343.26358	4.1
353.24680	13.9
371.25735	16.7
389.26865	17.1
417.27847	2.1
427.28656	1.9
445.29459	48.5
446.29776	2.3
463.30508	100.0
464.30878	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01866	3.0
55.05502	14.6
57.03429	6.2
57.07067	2.8
65.03934	2.6
67.05494	66.6
69.03422	1.5
69.07056	24.1
71.01329	0.9
71.04971	4.3
71.08607	0.9
73.02918	0.8
79.05482	45.3
81.03407	4.3
81.07045	88.6
83.04976	9.7
83.08601	16.4
85.02924	0.9
85.06525	5.2
91.05467	25.0
92.05781	0.8
92.75013	0.7
93.07029	63.0
95.04956	9.5
95.08586	23.0
97.06517	12.9
97.10165	2.4
99.08070	3.6
105.04538	2.0
105.07023	14.6
107.04966	2.2
107.08579	38.7
109.06520	2.3
109.10141	5.6
109.68046	0.9
111.08061	9.5
111.11697	1.2
113.05959	1.1
113.09636	1.1
114.60752	0.6
115.05466	1.1
117.06987	10.1
119.08545	6.4
121.06514	3.0
121.10130	22.0
123.04414	1.2
123.08089	1.3
123.11749	2.3
125.09643	2.1
127.07527	0.7
129.07022	2.1
131.08542	13.1
133.06560	1.4
133.10117	12.2
135.08069	2.7
135.10014	0.7
135.11671	10.3
139.07477	1.2
139.11192	2.3
142.07794	0.8
143.08589	1.4
145.10109	3.9
147.07979	1.0
147.11674	3.6
149.09601	1.6
149.13234	43.2
151.07536	1.4
153.01917	0.8
157.10158	2.5
159.11676	18.6
161.09630	1.1
161.13263	1.3
163.11185	1.4
165.09094	1.0
167.14363	1.2
169.10141	0.9
171.11737	1.5
173.13229	1.1
177.09238	1.2
177.12741	9.9
178.40526	0.9
183.11665	1.2
185.13176	1.0
193.10391	0.8
195.13765	16.5
197.36473	0.9
207.11748	0.8
208.44440	0.7
209.13475	1.2
213.14789	4.3
219.13918	1.2
227.12761	1.1
251.16554	1.4
353.24823	1.0
371.25897	0.9
436.62140	0.8
460.34253	0.9
463.30655	100.0
464.30984	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	463.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
55.01855	6.4
55.05500	25.9
56.35858	1.7
57.03422	9.5
57.07065	2.2
65.03916	4.7
67.05495	74.1
68.65620	1.5
69.03445	3.4
69.07062	26.3
69.58403	9.9
69.58820	3.1
71.04979	6.8
75.04475	1.8
75.98429	1.5
76.92760	1.7
79.05482	61.1
81.03395	5.5
81.07043	84.7
83.04961	6.8
83.08609	17.2
85.02869	2.6
85.06538	4.6
91.05466	76.4
92.05780	2.0
93.07032	66.0
93.07623	3.3
95.04943	11.4
95.08591	51.2
97.06525	8.1
97.10139	7.3
99.08071	3.3
103.05486	2.4
105.07013	75.1
106.31952	1.6
107.04919	7.8
107.08573	40.7
109.06503	11.3
109.10139	21.4
111.08074	6.5
115.05447	4.6
117.06997	34.2
119.08566	44.9
121.06516	6.5
121.10114	23.1
123.08051	5.7
123.11646	4.5
125.09640	3.2
128.06194	4.5
129.06982	22.9
130.07843	2.2
131.08546	56.8
131.09509	3.6
133.06493	4.5
133.10112	25.9
135.08051	6.7
135.11678	15.0
137.09590	4.6
139.11122	2.1
139.25760	1.5
141.06973	8.3
142.07730	3.9
143.08530	25.6
145.06429	3.9
145.10101	34.1
147.07994	7.6
147.11719	9.5
149.09570	5.2
149.13235	10.8
151.11143	2.3
154.07744	1.9
155.08543	13.8
156.09258	1.8
157.10104	19.5
159.08028	2.8
159.11687	17.3
161.09587	4.5
161.13126	3.5
163.11140	5.0
163.45932	1.8
167.08545	4.0
169.10075	10.3
171.11697	13.6
173.09598	2.9
173.11823	2.4
173.13173	7.5
175.11182	2.8
175.14894	3.6
177.12746	4.5
181.10081	5.5
183.11604	7.8
185.09586	3.0
185.13255	8.3
187.11192	3.5
187.14809	4.2
189.12782	3.3
191.10696	2.5
191.14273	1.6
193.12215	2.2
195.06577	2.7
195.11728	4.4
195.13799	4.3
197.13268	8.6
199.14833	4.4
201.12679	1.7
205.15906	1.6
207.13730	1.7
209.13222	6.7
211.14842	6.5
212.50421	1.7
213.12781	3.2
213.14583	1.7
213.16429	2.9
215.14294	3.5
217.15891	2.5
221.13208	2.4
223.14836	2.2
225.16299	3.2
227.14331	4.0
229.15909	2.1
231.17484	2.1
233.15262	4.3
235.16911	2.3
243.17470	2.4
245.15372	3.0
247.16931	6.9
255.17448	2.4
259.16953	4.4
263.16495	2.0
273.18436	4.1
287.20203	2.5
307.24203	2.7
307.48846	1.7
325.25259	5.3
335.23563	9.1
343.26126	13.4
347.22253	1.8
353.24689	32.1
371.25787	44.8
372.26065	2.0
389.26788	52.9
427.28348	4.7
445.29449	100.0
446.29816	3.2
463.30438	89.5
464.31332	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3047
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02380	1.3
51.89164	0.9
53.03934	4.3
55.01865	4.6
55.05505	20.3
57.03432	8.0
57.07063	3.7
59.04977	1.1
64.74348	0.9
65.03923	3.8
67.05496	79.6
67.57515	0.8
69.03428	1.8
69.07057	29.8
70.02732	1.6
70.03139	4.6
71.01351	1.7
71.04984	6.0
73.02878	0.9
73.06488	1.0
79.05482	59.6
81.03416	8.9
81.07047	100.0
82.07361	0.9
83.01342	1.3
83.04968	11.4
83.08609	20.8
83.41902	0.8
85.06534	7.2
91.05465	31.2
93.07033	78.5
95.04951	10.5
95.08595	25.2
97.06520	14.9
97.10139	5.1
98.20809	1.6
99.04472	1.2
99.08082	4.0
105.07007	13.9
107.04941	5.9
107.08578	46.5
109.06497	6.9
109.10152	8.1
111.08067	9.3
111.11677	1.2
113.05994	1.7
117.06985	12.1
119.08574	8.2
121.06516	3.4
121.10126	24.8
123.08051	1.8
123.11701	2.2
125.05895	1.0
125.09624	2.5
129.07007	2.4
131.08548	13.5
133.10121	10.6
135.08047	3.6
135.11664	20.1
139.11183	2.5
143.08629	1.0
145.10091	6.3
147.08011	1.4
147.11655	2.6
149.09613	1.7
149.13237	45.9
151.11118	1.2
153.09090	1.1
153.12752	1.5
157.10107	1.3
159.11678	16.5
163.11169	8.2
167.14247	1.3
173.09586	1.5
177.12703	9.2
181.12199	4.8
195.13786	17.2
201.12805	1.0
209.11627	2.3
209.28297	0.8
213.14828	2.6
219.13797	3.3
227.12640	5.0
251.16428	1.2
353.20947	0.9
433.60852	0.9
433.86743	1.0
445.25732	3.3
463.30960	91.8
464.31299	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.7
67.05493	2.2
69.03415	1.5
69.07058	4.2
69.84415	5.5
70.06583	10.7
71.04975	1.5
72.08147	51.1
73.04018	1.7
75.28754	1.0
81.07026	1.4
82.06584	8.9
84.08126	16.3
85.02880	3.5
85.04021	2.2
85.08927	3.1
86.09708	2.2
91.05463	2.9
91.49532	1.0
95.04964	3.7
96.08116	2.0
97.02866	2.3
97.06527	4.1
98.09679	8.6
99.09203	7.3
100.68042	1.2
105.03397	1.1
105.07066	1.4
107.04937	1.2
112.07587	16.3
117.07003	1.2
119.04948	6.2
121.06519	1.4
121.10095	1.5
123.04411	3.9
124.11246	3.4
127.08676	11.5
131.04875	1.4
132.08052	2.5
133.10129	2.1
133.73956	1.0
135.04411	3.8
136.07611	6.4
136.08499	1.2
138.12766	11.3
139.03862	1.8
139.13528	2.9
140.14346	3.1
141.10236	1.3
143.11800	3.2
145.06502	2.6
146.06006	2.5
147.04401	8.1
148.04723	2.5
151.03888	3.8
153.05489	1.6
155.11829	1.8
160.07570	6.9
161.05951	1.6
161.09601	2.9
162.09116	1.7
163.03954	2.7
165.05472	5.6
166.12314	4.4
171.04396	1.4
171.11301	3.6
173.09607	1.6
174.12790	1.9
177.05457	1.5
177.09151	3.6
181.05002	3.7
182.08131	5.9
183.11366	1.3
183.14937	16.3
185.09592	3.8
187.11235	1.7
189.05566	2.9
189.09084	49.2
190.12302	2.7
194.11775	2.3
202.12247	77.2
203.12646	1.6
205.04955	2.4
206.08070	2.0
208.48892	1.1
209.16438	1.3
211.10843	1.9
211.14348	10.5
212.10655	2.3
213.09186	6.4
219.10199	3.0
219.14896	6.2
220.13365	2.2
228.13733	1.4
230.11778	3.6
231.10133	62.9
232.10275	1.2
235.06007	1.2
236.12796	1.3
248.12788	100.0
249.13177	2.0
253.11819	8.7
259.61844	1.1
265.15439	28.8
273.15945	8.3
282.18250	5.1
291.16946	1.4
301.09436	2.0
301.15317	1.3
311.16446	5.4
318.21710	1.4
319.16489	79.9
320.16925	2.8
336.19168	19.1
346.21387	2.6
364.22308	9.3
366.17834	1.2
392.21786	4.6
417.25198	2.4
418.23267	7.6
435.25961	22.4
445.24524	2.4
446.22720	2.1
463.25537	95.0
464.25931	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	463.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.9
55.01858	1.6
55.05492	3.1
57.03418	5.2
61.02890	1.6
67.05484	2.9
69.03416	16.7
69.67030	6.5
71.04984	1.7
73.02924	1.3
75.04468	2.3
79.05475	26.7
81.03407	11.3
81.07043	6.8
83.85542	0.9
85.02890	11.7
85.06534	1.9
87.04443	1.4
91.05462	16.2
93.07025	89.0
95.04954	4.4
95.08589	3.9
97.02856	6.4
99.04432	4.5
103.05437	3.2
105.07015	14.2
106.07784	1.2
107.08573	21.8
109.02866	4.0
109.06495	1.3
109.10133	1.9
110.06059	1.2
111.08046	3.0
116.06228	1.5
117.05442	1.3
119.04893	1.5
119.08552	9.4
121.06481	2.2
121.10120	100.0
122.10428	1.5
123.08051	5.4
123.11721	1.4
125.09592	1.1
127.03903	5.5
131.04893	3.4
131.08559	10.8
133.10124	2.5
135.06532	1.6
137.05968	1.5
137.09549	2.0
138.05450	6.8
139.03850	1.6
139.11142	3.5
145.04933	3.7
147.04373	3.3
148.04758	1.2
149.09592	60.8
150.09987	1.0
150.61568	1.0
153.07555	2.8
156.06528	2.2
157.10216	1.1
161.05978	2.4
161.09575	1.0
163.07536	1.5
163.11169	1.1
165.09047	2.3
167.10641	19.3
177.05595	1.0
243.08676	1.1
259.91278	1.1
270.07874	1.1
293.13828	7.7
311.14819	23.7
318.59100	0.9
370.53632	1.0
427.46460	1.0
445.16013	1.1
451.23468	1.2
463.17133	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	463.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02354	1.0
53.03932	3.6
55.01859	1.9
55.05502	4.6
56.33039	0.7
57.03427	6.5
61.02928	0.9
65.03943	0.9
65.41353	0.7
67.05481	2.2
69.03426	17.4
69.07048	0.8
69.56220	7.2
70.06583	0.9
71.04983	2.1
73.02900	2.3
75.04461	2.7
79.05482	24.9
81.03410	10.6
81.07043	4.7
83.04975	1.5
84.58112	0.7
85.02892	10.4
87.04475	1.6
91.05470	16.6
93.07031	90.2
93.13257	0.7
94.07366	1.2
95.04939	5.6
95.08588	3.3
97.02879	5.7
99.04446	4.8
103.05489	1.8
105.07008	12.7
107.08581	20.0
109.02880	5.1
109.06488	2.4
109.10140	2.4
111.04447	1.4
111.08073	3.0
115.05350	0.7
115.09668	0.8
116.06189	0.8
117.05423	0.8
119.04904	6.9
119.08569	9.6
121.06484	3.2
121.10127	100.0
122.10453	1.6
123.08044	2.3
123.11687	0.9
124.03931	1.1
125.05986	2.1
127.03888	5.6
129.05458	1.0
129.07043	0.9
131.04927	2.0
131.08546	9.2
133.07539	0.8
133.10133	1.3
135.06535	3.8
135.08006	1.0
137.05972	2.7
137.09579	2.1
138.05499	1.7
139.11153	4.9
145.02814	2.0
145.04903	2.3
145.10078	1.5
145.17287	0.8
146.03207	1.3
147.04341	1.7
149.09602	52.6
151.03856	0.8
153.07555	4.2
161.09518	0.9
163.05959	1.0
164.06982	1.3
165.09125	2.6
167.10646	15.9
172.93590	0.8
175.11029	0.8
177.05461	7.0
178.05801	6.7
216.77925	0.8
247.13445	1.0
247.16579	0.7
263.33569	0.8
265.14322	1.4
266.14716	1.8
275.12692	1.2
281.10080	1.6
293.13791	6.7
311.14828	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75063	0.6
53.03951	4.0
55.01849	2.6
55.05490	2.6
57.03415	2.2
63.84267	0.8
65.03919	1.8
67.05502	4.4
69.03428	6.2
69.07052	3.1
69.24165	0.7
70.91299	1.4
70.91643	0.9
71.04972	1.8
73.02909	17.9
79.05492	6.3
81.02984	0.7
81.03412	10.0
81.07043	7.7
83.04961	1.9
83.08583	1.3
84.72439	0.7
85.02895	7.9
85.06521	2.3
86.09673	2.9
91.05473	6.0
91.43614	0.6
93.07031	6.4
95.04971	5.7
95.08603	4.5
97.02879	6.3
97.06513	7.7
97.10147	2.5
99.04436	2.7
99.08052	1.0
105.03378	59.8
105.06997	4.7
107.04926	0.9
107.08595	5.9
108.02103	0.8
109.02863	7.8
109.06527	1.6
109.10145	5.5
110.03650	1.8
111.04417	2.2
111.08028	1.6
116.77852	0.7
117.06992	1.2
119.04922	4.0
119.08542	4.0
120.08079	0.7
121.02869	0.9
121.06438	1.0
121.10120	4.4
123.04411	11.6
123.08037	1.9
123.11636	1.8
124.99985	1.8
125.05973	24.9
125.09599	2.5
127.03910	4.8
127.11215	1.0
131.04922	0.9
131.08542	2.4
133.06432	0.7
133.10114	2.6
135.08055	1.5
135.11687	2.9
137.05951	2.1
137.09541	1.7
139.03888	0.8
139.11195	1.1
141.05411	1.5
142.07784	1.0
143.08571	1.5
143.36906	0.7
145.04956	2.3
145.10088	2.3
147.04390	10.1
147.07962	0.8
147.11703	3.9
149.05983	2.9
149.09592	1.0
151.03886	67.4
151.04938	2.9
151.07478	4.4
151.11179	1.2
152.04260	0.7
155.08516	1.0
157.10143	1.0
159.11655	1.9
161.05988	2.5
161.09621	1.3
163.03908	6.7
163.11113	1.6
165.05438	2.0
165.09010	1.2
171.11542	0.8
173.09557	0.7
173.13261	2.1
175.03851	1.7
175.07477	0.6
177.05406	1.3
177.09067	0.7
177.12744	1.0
179.07007	22.0
179.08530	1.5
183.11642	0.9
184.07315	6.7
187.14781	0.9
189.05490	2.2
189.09061	1.0
191.07042	0.8
193.29153	0.7
197.08069	100.0
198.08466	0.9
201.05511	0.7
203.06973	1.0
207.02841	0.8
213.09123	0.8
215.07108	0.9
217.08781	0.8
217.11037	0.7
231.10114	0.8
249.07568	7.6
259.09653	4.9
267.08627	5.2
269.17325	0.8
273.22192	0.7
277.10956	0.9
283.20142	0.8
311.16507	3.3
317.06375	1.1
317.09875	1.0
327.08560	0.8
341.10248	1.6
345.28104	0.7
399.25873	0.9
427.28378	1.0
445.25635	1.0
463.20917	3.0
463.26953	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	463.1225
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
53.03934	0.6
55.05494	1.3
55.22830	0.5
57.03421	3.5
67.05496	1.1
69.03400	1.5
69.07032	1.1
70.06555	0.4
70.77996	1.4
71.04979	30.1
73.02907	0.6
74.59776	0.5
75.04455	0.5
79.05466	1.3
81.03403	1.2
81.07034	1.3
83.04975	0.8
85.02888	30.8
85.06513	1.6
87.04447	0.9
91.05473	0.9
92.02617	0.6
93.07021	2.0
95.04985	0.6
95.08571	1.9
97.02868	0.5
97.06504	0.6
97.10132	0.5
105.07027	2.4
107.08571	1.6
109.02926	1.0
109.10130	1.8
111.04450	0.7
111.08057	0.9
112.07610	0.5
119.04945	0.5
119.08534	0.9
121.02804	1.1
121.10123	1.4
123.04457	0.5
123.08057	0.5
125.09573	0.9
129.05452	7.9
129.09148	0.8
131.08525	0.8
133.10133	2.6
134.10458	1.1
137.02339	0.6
137.05943	1.0
137.09572	1.0
139.03850	0.8
145.10094	0.9
147.04398	1.2
147.06477	0.9
147.11655	1.0
151.03880	0.8
153.01797	5.8
159.11649	0.5
165.09076	0.5
177.05338	0.6
201.05399	0.6
209.76926	0.4
217.04951	0.8
228.04207	0.9
229.04956	2.2
239.20151	0.6
246.05183	1.6
257.04379	2.2
265.21695	0.6
273.03842	1.0
274.04663	3.5
284.02988	0.5
285.03900	2.9
292.74628	0.6
301.11893	0.9
302.04129	11.1
317.06497	100.0
318.06918	3.1
351.14026	0.5
453.22272	0.5
463.15436	1.0
463.21347	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.05499	10.8
57.03418	1.4
57.07052	3.8
58.78181	1.3
67.05492	25.1
69.07055	17.7
71.05005	1.6
71.08588	2.0
71.62953	3.0
79.05477	16.2
81.07045	53.1
83.04984	1.5
83.08609	7.6
91.05465	22.5
93.06460	2.9
93.07027	39.4
93.07606	2.6
95.04955	4.5
95.08588	59.8
96.58458	1.3
97.06521	2.2
97.10134	3.0
105.07016	57.7
107.08575	46.4
109.06500	2.6
109.10139	29.4
111.11680	2.1
117.06987	12.2
119.08560	39.6
121.06438	1.7
121.10126	32.5
123.08028	2.3
123.11688	19.9
124.63326	1.3
125.09673	1.7
128.06219	3.8
129.06975	9.9
131.08548	25.4
133.10104	36.4
135.08022	2.6
135.11667	42.3
137.09637	1.6
137.13213	14.0
139.07439	1.5
141.06949	3.1
142.07745	5.9
143.08553	22.8
144.09294	4.6
145.10101	29.6
145.98395	1.5
147.08012	1.9
147.11664	63.5
148.11942	1.7
149.09607	2.7
149.13225	18.6
151.14775	4.0
155.08510	13.1
156.09267	3.3
157.10106	38.1
158.10507	1.9
159.07875	1.5
159.11650	38.4
161.09610	3.2
161.13232	47.4
163.14813	18.8
165.09093	3.4
165.12712	1.4
167.08530	2.3
168.09381	1.6
169.10094	11.5
170.10837	2.2
171.11688	19.6
173.13249	14.7
175.11195	4.2
175.14812	16.0
177.09039	2.6
177.12643	1.6
177.16356	14.2
181.10146	2.9
183.11653	10.8
185.09511	1.8
185.13211	16.7
185.14825	2.1
186.13622	2.1
186.96814	1.9
187.11163	3.0
187.14798	9.2
189.12746	3.3
189.16328	5.2
191.10667	4.0
195.10101	1.5
195.11676	5.2
197.13223	7.8
198.13913	1.7
199.14781	9.5
201.09117	1.6
201.12914	1.7
201.16428	9.0
203.10744	7.4
203.14319	4.3
205.12169	6.7
207.11888	1.6
207.13789	2.5
208.12331	1.6
209.11670	5.0
209.13268	3.7
211.14783	8.2
213.12718	2.7
213.16331	8.4
215.10635	4.2
215.14259	2.1
215.17943	3.7
217.12299	7.9
217.15753	2.0
219.13771	2.3
221.11639	1.7
223.14825	3.0
225.16377	5.6
227.14413	2.0
227.17793	2.2
229.12294	4.0
229.19458	2.2
231.13753	14.9
233.42876	1.6
237.16330	2.2
239.17982	2.1
243.13712	7.0
245.15388	4.2
249.14865	4.2
251.17950	3.1
257.15366	3.6
259.16956	2.7
265.19458	3.4
267.21039	7.3
269.15256	2.3
271.17026	1.6
275.16415	1.6
277.17911	2.7
283.16718	1.8
293.22638	5.5
299.55341	1.5
311.20215	2.8
315.19836	1.9
321.25729	19.2
323.27222	4.9
325.21542	2.5
333.14990	4.2
339.23062	2.1
339.26776	23.2
340.27054	1.7
349.25470	8.6
367.26276	100.0
368.26648	6.5
385.27304	54.4
386.27390	2.9
409.34586	5.4
427.35968	2.9
445.29605	1.7
462.20157	3.0
462.32321	19.1
463.20804	2.6
463.24512	1.7
463.30280	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	462.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.5
55.05501	8.0
57.03424	4.5
61.02882	3.1
62.11189	1.5
67.05495	8.5
69.03413	12.3
69.07040	4.4
70.06549	1.6
71.04976	13.5
71.27126	1.5
71.62704	2.8
73.02895	8.5
74.09689	1.8
79.05465	11.1
79.66043	1.3
81.03391	9.8
81.07040	22.9
83.04941	3.0
83.08596	3.1
85.02893	11.0
85.06507	4.4
86.09694	2.0
91.05451	15.8
93.07017	18.4
94.07313	2.0
95.04928	4.3
95.08591	19.7
97.02880	13.1
97.06519	11.6
97.10147	3.4
98.06876	1.5
99.04445	10.5
99.08054	1.9
100.11258	2.5
103.05446	2.3
105.07009	38.1
107.04922	2.6
107.08573	17.4
109.02871	11.2
109.06519	3.7
109.10118	14.2
111.04396	2.3
111.08012	3.8
115.03886	6.4
115.05463	1.6
117.06984	2.4
119.04909	2.6
119.08557	13.5
121.02811	3.5
121.06458	5.0
121.10132	10.6
123.04401	4.9
123.08035	2.6
123.11674	4.1
125.09601	11.5
127.03904	8.4
127.11150	2.7
128.06151	2.0
131.04904	2.6
131.08574	7.5
133.04945	3.8
133.10106	100.0
134.10440	4.7
135.08012	2.9
135.11652	6.3
137.05981	3.0
137.09593	15.8
139.03912	2.4
139.11127	2.6
141.07043	1.5
141.09073	1.9
143.08545	3.8
143.10646	25.9
145.04945	3.7
145.06453	2.1
145.10107	9.6
147.04422	7.9
147.08012	3.3
147.11664	12.7
149.09605	1.9
149.13251	9.8
151.03847	13.7
151.07530	5.1
151.11177	3.3
155.10654	1.8
157.10085	2.8
159.08011	2.3
159.11670	7.7
161.05966	2.1
161.09579	19.1
161.13225	3.7
163.03845	4.2
163.07474	3.1
163.11182	8.4
165.05420	2.5
165.09074	10.0
165.12697	1.9
167.14293	37.7
169.12268	1.7
173.05914	3.7
173.13228	4.4
175.11150	4.2
175.14728	1.6
177.05452	2.4
177.12521	1.6
179.10664	11.9
184.07352	1.7
187.11163	2.7
189.05492	2.2
189.09067	8.6
191.14297	1.9
193.12126	1.8
199.11165	2.4
201.05426	12.2
201.16290	5.3
202.06108	3.2
207.10060	8.1
210.14975	1.9
212.04593	2.4
213.05450	3.2
215.06995	3.3
219.17404	41.9
225.11200	4.8
229.04887	17.9
230.05717	23.7
231.10271	1.6
237.18356	10.0
243.06532	17.1
247.13292	3.2
259.09579	4.6
265.17877	6.0
269.04391	6.6
271.05960	9.5
283.14844	2.2
297.04001	8.5
301.06982	9.7
309.13101	2.4
311.16412	2.3
315.04977	3.1
333.13174	4.6
339.04947	2.7
351.14276	7.1
369.15463	2.1
421.09137	19.6
431.14560	2.2
462.29666	4.3
463.10126	41.2
463.20651	4.9
463.26630	3.4
463.32501	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	462.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.5
55.05501	8.0
57.03424	4.5
61.02882	3.1
62.11189	1.5
67.05495	8.5
69.03413	12.3
69.07040	4.4
70.06549	1.6
71.04976	13.5
71.27126	1.5
71.62704	2.8
73.02895	8.5
74.09689	1.8
79.05465	11.1
79.66043	1.3
81.03391	9.8
81.07040	22.9
83.04941	3.0
83.08596	3.1
85.02893	11.0
85.06507	4.4
86.09694	2.0
91.05451	15.8
93.07017	18.4
94.07313	2.0
95.04928	4.3
95.08591	19.7
97.02880	13.1
97.06519	11.6
97.10147	3.4
98.06876	1.5
99.04445	10.5
99.08054	1.9
100.11258	2.5
103.05446	2.3
105.07009	38.1
107.04922	2.6
107.08573	17.4
109.02871	11.2
109.06519	3.7
109.10118	14.2
111.04396	2.3
111.08012	3.8
115.03886	6.4
115.05463	1.6
117.06984	2.4
119.04909	2.6
119.08557	13.5
121.02811	3.5
121.06458	5.0
121.10132	10.6
123.04401	4.9
123.08035	2.6
123.11674	4.1
125.09601	11.5
127.03904	8.4
127.11150	2.7
128.06151	2.0
131.04904	2.6
131.08574	7.5
133.04945	3.8
133.10106	100.0
134.10440	4.7
135.08012	2.9
135.11652	6.3
137.05981	3.0
137.09593	15.8
139.03912	2.4
139.11127	2.6
141.07043	1.5
141.09073	1.9
143.08545	3.8
143.10646	25.9
145.04945	3.7
145.06453	2.1
145.10107	9.6
147.04422	7.9
147.08012	3.3
147.11664	12.7
149.09605	1.9
149.13251	9.8
151.03847	13.7
151.07530	5.1
151.11177	3.3
155.10654	1.8
157.10085	2.8
159.08011	2.3
159.11670	7.7
161.05966	2.1
161.09579	19.1
161.13225	3.7
163.03845	4.2
163.07474	3.1
163.11182	8.4
165.05420	2.5
165.09074	10.0
165.12697	1.9
167.14293	37.7
169.12268	1.7
173.05914	3.7
173.13228	4.4
175.11150	4.2
175.14728	1.6
177.05452	2.4
177.12521	1.6
179.10664	11.9
184.07352	1.7
187.11163	2.7
189.05492	2.2
189.09067	8.6
191.14297	1.9
193.12126	1.8
199.11165	2.4
201.05426	12.2
201.16290	5.3
202.06108	3.2
207.10060	8.1
210.14975	1.9
212.04593	2.4
213.05450	3.2
215.06995	3.3
219.17404	41.9
225.11200	4.8
229.04887	17.9
230.05717	23.7
231.10271	1.6
237.18356	10.0
243.06532	17.1
247.13292	3.2
259.09579	4.6
265.17877	6.0
269.04391	6.6
271.05960	9.5
283.14844	2.2
297.04001	8.5
301.06982	9.7
309.13101	2.4
311.16412	2.3
315.04977	3.1
333.13174	4.6
339.04947	2.7
351.14276	7.1
369.15463	2.1
421.09137	19.6
431.14560	2.2
462.29666	4.3
463.10126	41.2
463.20651	4.9
463.26630	3.4
463.32501	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	462.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01840	0.4
55.05494	0.7
57.03424	1.4
61.02901	0.8
65.03903	0.3
67.05482	0.8
69.03419	2.4
69.07056	0.3
70.32705	0.2
71.04991	0.5
71.62752	0.3
72.52365	0.2
72.80624	0.2
73.02905	4.7
73.70049	0.2
74.09695	0.3
76.02366	0.2
79.05474	1.0
81.03397	1.1
81.07038	1.0
82.55244	0.2
83.04955	0.3
85.02888	2.6
85.06515	0.7
91.03893	0.3
91.05463	3.6
93.07029	1.9
95.04951	0.5
95.08568	0.9
97.02871	2.1
97.06503	0.4
99.04434	0.5
100.11237	0.4
101.06011	0.2
103.05421	0.7
105.03358	0.6
105.07012	9.2
107.04922	0.3
107.08583	1.7
107.09168	0.3
108.08113	0.3
109.02848	1.0
109.06470	0.4
109.10135	0.6
111.04410	0.4
111.08036	0.3
115.03907	2.2
115.05489	0.4
117.07018	0.6
118.07781	0.7
119.04906	1.2
119.08549	1.3
121.02823	0.5
121.06451	0.3
121.10131	1.0
123.04383	0.5
123.11652	0.3
125.05997	0.4
125.09602	0.3
127.03886	1.6
131.04927	0.3
131.08546	2.1
132.06535	0.3
133.04974	1.3
133.10101	100.0
134.10397	1.5
135.08035	1.5
135.11708	0.6
137.05945	0.5
137.09578	0.6
138.10020	0.3
143.08508	0.5
145.04910	0.9
145.10115	0.7
147.04388	4.9
147.11650	1.8
149.09631	0.5
150.07607	1.0
151.03844	1.4
151.07587	0.4
152.07042	0.3
154.08604	1.2
156.09273	0.3
157.10132	0.3
159.11714	0.6
161.09633	0.8
162.05502	0.5
163.03893	0.4
163.07500	0.7
163.11194	0.4
165.09062	0.5
170.08185	0.3
171.11690	0.7
172.90924	0.2
173.13176	0.4
175.11186	1.6
179.10576	0.4
181.08566	0.4
182.15347	0.3
187.11194	0.7
189.08955	0.3
189.12633	0.3
197.06441	0.3
197.07994	1.6
198.44098	0.3
199.11168	0.5
201.12701	0.3
207.10081	0.4
217.12250	0.6
225.11209	0.9
229.12213	0.6
241.07239	0.3
247.13278	2.3
247.16745	0.4
249.07320	0.3
259.13339	0.5
265.14310	0.4
265.17938	1.1
277.14355	0.5
283.18991	0.3
351.14270	0.6
439.66376	0.3
459.90305	0.3
462.20340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01840	0.4
55.05494	0.7
57.03424	1.4
61.02901	0.8
65.03903	0.3
67.05482	0.8
69.03419	2.4
69.07056	0.3
70.32705	0.2
71.04991	0.5
71.62752	0.3
72.52365	0.2
72.80624	0.2
73.02905	4.7
73.70049	0.2
74.09695	0.3
76.02366	0.2
79.05474	1.0
81.03397	1.1
81.07038	1.0
82.55244	0.2
83.04955	0.3
85.02888	2.6
85.06515	0.7
91.03893	0.3
91.05463	3.6
93.07029	1.9
95.04951	0.5
95.08568	0.9
97.02871	2.1
97.06503	0.4
99.04434	0.5
100.11237	0.4
101.06011	0.2
103.05421	0.7
105.03358	0.6
105.07012	9.2
107.04922	0.3
107.08583	1.7
107.09168	0.3
108.08113	0.3
109.02848	1.0
109.06470	0.4
109.10135	0.6
111.04410	0.4
111.08036	0.3
115.03907	2.2
115.05489	0.4
117.07018	0.6
118.07781	0.7
119.04906	1.2
119.08549	1.3
121.02823	0.5
121.06451	0.3
121.10131	1.0
123.04383	0.5
123.11652	0.3
125.05997	0.4
125.09602	0.3
127.03886	1.6
131.04927	0.3
131.08546	2.1
132.06535	0.3
133.04974	1.3
133.10101	100.0
134.10397	1.5
135.08035	1.5
135.11708	0.6
137.05945	0.5
137.09578	0.6
138.10020	0.3
143.08508	0.5
145.04910	0.9
145.10115	0.7
147.04388	4.9
147.11650	1.8
149.09631	0.5
150.07607	1.0
151.03844	1.4
151.07587	0.4
152.07042	0.3
154.08604	1.2
156.09273	0.3
157.10132	0.3
159.11714	0.6
161.09633	0.8
162.05502	0.5
163.03893	0.4
163.07500	0.7
163.11194	0.4
165.09062	0.5
170.08185	0.3
171.11690	0.7
172.90924	0.2
173.13176	0.4
175.11186	1.6
179.10576	0.4
181.08566	0.4
182.15347	0.3
187.11194	0.7
189.08955	0.3
189.12633	0.3
197.06441	0.3
197.07994	1.6
198.44098	0.3
199.11168	0.5
201.12701	0.3
207.10081	0.4
217.12250	0.6
225.11209	0.9
229.12213	0.6
241.07239	0.3
247.13278	2.3
247.16745	0.4
249.07320	0.3
259.13339	0.5
265.14310	0.4
265.17938	1.1
277.14355	0.5
283.18991	0.3
351.14270	0.6
439.66376	0.3
459.90305	0.3
462.20340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
64.25470	0.3
65.03920	0.8
66.56822	0.4
69.03403	0.9
79.05481	0.7
81.03404	1.2
81.07027	0.9
83.04980	0.7
85.02868	1.4
86.83376	0.3
90.05513	0.5
90.70753	0.3
91.05462	6.5
93.07027	0.4
95.04974	0.5
95.08617	0.3
97.02867	0.9
98.20705	0.7
101.06002	1.0
105.03378	0.3
105.06995	0.5
107.05025	0.3
107.08586	0.3
109.02851	1.1
111.36122	0.3
117.03466	0.4
117.06983	0.3
119.04924	16.0
119.08578	0.3
120.05334	0.4
121.02903	0.5
123.08029	0.3
124.07580	0.4
127.03901	1.0
131.08484	0.5
135.04364	0.3
136.07530	0.5
137.05927	0.8
137.09506	0.5
139.03899	0.6
145.02815	1.2
146.79507	0.3
147.04384	100.0
148.04741	2.0
149.05933	0.3
151.07487	0.5
154.08633	0.4
163.03891	1.9
163.07462	0.4
165.05458	2.9
165.09077	0.3
166.08658	0.6
169.04895	0.6
177.05443	3.3
184.09712	0.3
199.11171	0.5
202.10666	0.5
207.10139	1.1
215.10637	0.4
229.48772	0.4
233.11650	0.5
247.13257	1.2
265.10846	0.6
265.14075	0.6
268.12085	0.3
283.11664	0.7
287.05505	0.4
291.08517	0.8
309.09607	4.5
357.21671	0.4
409.14502	0.4
445.15939	0.8
462.17505	0.4
463.16666	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3618
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.03944	2.3
55.01864	2.6
55.05503	18.8
57.03429	3.5
57.07067	2.5
59.04977	1.8
59.58442	1.3
66.76507	1.3
67.05495	33.0
69.03418	2.9
69.07055	17.2
69.64243	10.3
71.04979	9.2
78.11688	1.4
79.05480	21.6
81.03409	15.5
81.07043	37.9
82.01263	1.5
83.04971	5.5
83.08601	15.3
85.06532	3.4
91.05455	22.2
93.07029	33.2
95.04960	13.9
95.08589	33.2
95.09149	2.2
97.06517	5.2
97.10139	8.7
98.20829	2.8
99.08090	4.6
105.07016	27.7
107.04942	3.8
107.08582	34.6
108.08947	1.5
109.06499	4.5
109.09432	2.8
109.10145	28.8
111.08076	4.9
111.11710	2.0
117.06985	10.2
119.08568	27.3
120.08939	2.4
121.06507	5.0
121.10131	22.6
123.08073	4.0
123.11683	9.4
125.09617	6.0
127.11168	19.1
129.07016	6.8
131.08549	17.1
133.06532	3.0
133.10123	22.7
135.08051	3.0
135.11681	19.9
137.09560	2.6
137.13249	3.2
141.06947	3.2
142.07716	2.4
143.08559	10.5
145.06458	5.2
145.10100	19.0
147.08008	4.0
147.11647	19.8
149.09654	5.5
149.13225	9.8
155.08571	3.3
157.10100	12.1
159.08054	2.7
159.11696	22.9
161.09628	1.5
161.13228	9.1
163.11142	1.5
163.14839	3.8
165.09047	3.3
167.08461	1.5
169.10147	6.1
171.08102	1.8
171.11659	11.8
173.11818	2.3
173.13210	11.8
175.11223	5.3
175.14815	3.3
177.12782	2.6
177.16422	2.1
183.11668	5.5
185.13223	13.9
187.11110	1.4
187.14732	8.5
189.16429	4.3
191.18037	1.7
193.12114	6.8
195.11684	2.3
195.13712	1.9
197.13214	4.5
199.14854	5.1
201.12773	2.0
201.16418	6.1
203.14241	1.5
203.17920	4.3
205.15948	1.9
209.13295	2.7
211.14854	3.7
213.16341	5.1
215.17984	3.8
217.15788	7.5
217.19572	1.8
219.17448	4.5
221.13329	1.5
221.15367	2.2
221.18968	2.1
223.14919	1.7
225.16319	3.1
227.12520	2.2
227.17964	2.2
231.17471	4.9
237.16264	1.7
239.18010	4.2
241.19412	9.6
243.17433	3.9
245.19048	3.6
255.17491	2.0
257.18976	28.9
259.20551	2.4
267.21066	2.0
285.22079	1.8
297.22192	2.2
323.23615	1.8
325.25388	1.7
327.26767	1.3
339.26743	2.4
351.23163	3.5
369.24130	6.8
387.25323	3.6
395.26450	1.4
397.34946	2.0
407.33014	26.6
425.34079	66.9
443.28265	9.6
443.35138	100.0
444.35452	4.7
461.28986	51.0
461.35220	1.4
462.29395	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	461.3618
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
53.03934	4.3
55.01856	5.4
55.05503	27.1
57.03426	8.5
57.07063	5.2
59.04995	1.5
65.03947	3.1
67.05492	50.0
69.03426	3.4
69.07052	35.5
69.87682	11.2
70.56943	1.5
71.04974	5.8
77.03912	1.9
79.05479	45.6
80.05846	2.3
81.03403	13.8
81.07043	54.8
81.07515	3.5
83.04977	13.5
83.08600	21.1
85.06520	6.1
86.09676	1.7
91.05467	41.5
93.07026	67.3
94.07374	2.3
95.04958	19.4
95.08588	59.0
96.08958	1.8
97.02882	1.9
97.06519	10.2
97.10154	19.5
98.21484	2.1
99.08086	4.4
103.05455	1.8
105.06438	1.1
105.07009	43.0
107.04967	5.1
107.07849	3.6
107.08575	68.2
109.06503	6.5
109.10135	36.1
111.08034	7.7
113.09650	3.7
115.05444	2.7
117.06987	9.7
119.05891	1.5
119.08560	68.9
121.06516	10.0
121.10119	42.3
123.08070	4.7
123.11680	12.8
125.09618	8.0
128.06201	3.1
129.06932	10.6
131.08542	28.5
133.06500	2.4
133.10104	39.7
135.08051	5.7
135.11668	37.4
137.09607	5.9
137.13260	3.5
139.11162	11.2
141.06937	3.3
142.07739	3.5
143.08543	12.1
144.09358	3.2
145.06427	4.3
145.10095	50.3
147.08029	4.6
147.11656	25.2
149.09592	7.6
149.13222	14.0
151.11162	3.8
153.12720	7.1
154.16699	1.7
155.08578	3.8
156.09367	2.4
157.10104	15.2
158.10896	4.0
159.08058	2.6
159.11664	58.0
160.11992	2.6
161.09586	5.2
161.13217	17.9
163.11154	8.3
163.14801	49.3
164.15134	1.9
165.09097	12.8
165.12701	2.6
169.10048	10.0
170.10971	3.1
171.11655	21.4
172.12471	2.1
173.09631	3.4
173.13254	18.9
175.11189	4.6
175.14792	16.9
177.12761	3.9
177.16359	10.9
179.14229	3.1
181.12302	2.6
181.15852	31.7
181.17354	2.4
183.03906	1.9
183.11618	7.8
184.07341	2.5
184.12430	4.0
185.13205	13.0
186.13887	2.2
187.11176	2.4
187.14792	18.4
189.11221	2.8
189.12787	5.3
189.16322	9.3
191.14304	5.4
191.17932	5.3
193.12248	5.2
193.15822	2.5
195.13824	3.0
197.13225	5.6
199.14801	30.5
201.12648	2.7
201.16339	85.6
202.16731	2.6
203.14333	2.4
203.17953	7.1
205.15836	17.8
207.11954	2.4
207.13745	9.9
207.17532	2.1
209.13297	2.6
209.15260	2.8
211.14816	4.1
213.16406	18.9
215.17888	18.4
217.15843	4.6
217.19514	1.9
219.17386	49.8
220.17911	1.9
223.89600	1.6
225.16403	9.6
227.17850	7.9
229.19576	3.2
231.17509	3.0
233.18974	3.6
235.16895	2.3
235.20609	2.0
237.16440	2.6
237.18427	12.2
243.17369	21.0
247.20528	3.2
255.21167	2.2
257.18826	1.9
261.18420	16.5
265.19382	2.1
267.21045	1.9
269.22559	4.5
279.21021	2.3
281.22522	8.6
326.61691	1.8
351.23053	2.4
369.24185	5.3
381.31564	3.2
387.24921	2.8
389.31894	12.1
389.87885	1.7
390.22223	1.9
395.33063	2.6
399.32422	5.3
407.33047	54.4
408.33328	4.5
425.34109	100.0
426.34476	6.1
443.27936	9.7
443.35086	40.2
461.28909	60.6
461.36139	49.6
462.29114	7.3
462.35474	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	461.3618
Annotation	Phlomistetraol B
Peak:m/z	Relative Intensity
52.74143	1.5
53.03935	3.5
53.90899	1.7
55.01855	2.9
55.05496	24.2
57.03424	5.7
57.07067	6.0
67.05491	39.6
69.03419	4.8
69.07055	37.2
69.07402	3.3
69.14801	1.9
71.04984	3.8
79.05479	37.6
81.03402	12.0
81.07043	57.4
81.07511	2.8
83.04967	8.5
83.08606	18.9
84.93410	1.3
85.06546	4.7
85.10141	1.4
91.05461	32.6
91.06007	2.3
93.07024	56.5
95.04966	15.4
95.07977	2.7
95.08591	55.4
96.08938	2.4
97.02901	1.6
97.06528	8.6
97.10150	13.9
99.08081	3.1
105.04533	2.1
105.07011	37.8
107.04945	3.3
107.08579	66.6
109.06523	6.5
109.10137	35.7
110.10495	1.9
111.08087	7.2
111.11716	2.7
113.09659	2.4
115.05475	1.9
117.06987	14.1
119.08563	61.5
120.08884	2.1
121.06512	6.8
121.10126	41.8
122.10429	2.0
123.08085	5.5
123.11687	15.1
125.09623	7.1
128.06270	3.8
129.07007	9.2
131.08543	21.3
133.06508	3.1
133.10107	35.0
135.08064	5.8
135.11667	30.0
137.09637	6.3
137.13220	3.6
139.11166	9.5
143.08548	7.7
145.06500	3.5
145.10092	50.0
147.11655	22.4
149.09647	5.6
149.13251	14.7
151.11215	4.0
153.09106	2.1
153.12733	9.0
155.08528	3.5
157.10117	15.0
159.11667	56.7
161.09645	3.5
161.13242	18.2
163.11165	5.8
163.14804	51.0
165.09122	6.1
165.12892	2.0
167.08833	1.8
169.08870	1.6
169.10068	8.6
170.10936	3.1
171.11659	17.5
172.12363	2.1
172.29207	1.6
173.09647	3.7
173.13243	17.5
175.11264	3.8
175.14799	16.1
177.12761	4.8
177.16371	11.3
179.14227	2.2
181.12300	2.9
181.15848	33.7
181.17343	2.2
183.11714	5.6
184.12529	2.7
185.13255	13.0
186.14043	2.8
187.11212	3.7
187.14783	24.3
189.12735	2.6
189.16283	8.9
191.14310	5.0
191.17972	4.8
193.12233	5.7
195.13689	1.8
197.13165	2.7
199.14777	29.3
201.12675	3.9
201.16342	83.5
202.16716	3.6
203.14351	2.9
203.17940	10.5
205.12262	1.9
205.15834	16.4
207.13826	7.8
207.17343	2.0
209.13361	2.5
209.15277	2.2
211.14847	5.3
213.16328	19.7
215.17912	18.2
217.15842	4.3
217.19489	2.6
219.17404	46.4
221.18980	3.1
223.14830	2.9
225.16464	8.9
227.17918	10.4
229.19563	4.0
231.17471	5.1
233.18919	3.9
237.18513	13.2
239.04091	1.6
241.19421	2.1
243.17387	22.8
243.21214	2.7
247.20497	3.3
248.34167	1.6
261.18369	10.7
269.22641	4.2
279.20807	1.7
281.22742	5.9
325.25266	2.0
351.23206	3.2
369.24304	4.6
379.33698	2.0
381.31573	3.7
387.25296	3.2
389.32034	13.2
394.81799	1.7
395.32925	3.6
399.32596	2.5
407.27661	3.3
407.33026	61.8
408.33292	2.6
410.22992	1.7
425.34082	100.0
426.34561	4.0
443.28006	7.4
443.35150	40.5
461.28955	51.7
461.36191	57.9
462.29797	2.6
462.36819	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	461.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.01858	2.3
55.05499	13.8
55.05747	1.3
57.03432	3.0
57.07061	2.4
59.00857	1.1
65.03938	1.4
67.05495	22.9
69.03431	3.9
69.07054	17.1
71.04982	3.0
71.61538	0.9
71.61982	1.4
74.66255	0.9
79.05479	14.6
81.03400	9.1
81.07041	33.3
81.07513	1.8
83.04980	3.0
83.08611	7.5
85.06548	2.1
89.57413	0.8
91.05464	15.5
93.07027	20.0
95.04946	8.8
95.08591	27.9
97.02901	1.4
97.06544	3.7
97.10154	12.1
99.04418	1.3
99.08093	2.7
105.07021	19.3
105.07674	1.7
107.04954	5.7
107.08577	14.1
109.06509	3.9
109.10149	13.6
111.04453	1.2
111.08089	2.5
111.11740	3.6
113.09646	2.2
115.05443	1.3
117.06987	5.9
117.08864	1.1
119.04966	1.3
119.08555	12.7
121.06495	6.3
121.10125	10.9
123.08044	14.4
123.11697	12.2
125.09649	4.3
129.06984	5.5
131.04932	1.1
131.08531	9.7
133.06514	2.8
133.10088	6.0
135.08011	7.2
135.11627	4.9
137.09641	3.8
137.13268	2.3
139.11183	6.2
141.06990	2.4
142.07870	1.0
143.08525	6.8
145.06523	3.6
145.10097	7.1
146.07280	0.9
147.04393	1.2
147.08090	3.5
147.11650	6.5
149.09639	3.7
149.13255	5.0
151.07520	100.0
155.08600	3.9
155.14339	1.1
157.06512	1.8
157.10149	6.5
157.12286	4.0
159.08102	3.0
159.11641	5.5
160.08899	1.0
161.09624	8.9
161.13327	3.4
163.11246	3.2
165.09055	6.5
166.92307	1.0
169.10158	2.3
171.08157	1.3
171.11720	3.5
173.09645	3.5
173.13281	3.3
175.11154	21.1
175.14859	1.9
177.09074	5.0
177.12761	2.2
181.10164	1.6
182.91345	1.1
183.11713	2.2
185.09583	1.6
185.13223	2.4
187.11159	6.2
187.14815	2.0
189.11325	1.4
189.12706	6.6
189.98299	1.1
191.10638	15.4
193.12164	2.2
197.13293	2.1
199.11244	5.6
199.14914	1.6
201.12746	1.9
201.16464	1.7
203.10678	2.7
203.17949	1.4
205.12204	6.8
211.11258	1.0
213.12782	2.2
213.16258	1.2
215.10744	1.4
217.15919	2.2
219.13857	1.2
231.13866	1.8
239.14268	1.4
239.20105	2.1
241.15912	2.0
243.13843	1.4
243.17546	3.0
245.15462	1.1
251.19986	1.6
269.21136	5.4
271.17053	1.8
273.18848	1.1
275.16415	1.2
275.20279	1.0
281.19077	1.4
287.19989	5.9
303.19354	1.6
305.24799	2.3
351.23193	3.3
369.24182	7.8
387.25455	3.8
397.31311	5.3
405.26523	1.5
407.29855	2.4
415.32062	1.6
425.30304	23.0
443.31982	22.6
443.36270	1.3
461.29099	36.5
461.36127	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2887
Annotation	12beta,20-Dihydroxy-16beta-Acetoxy-17-scalaren-19,20-olide
Peak:m/z	Relative Intensity
53.03929	6.2
55.01868	4.2
55.05503	24.6
57.03431	5.1
57.07059	1.7
65.03917	3.1
67.05492	63.9
69.03410	2.7
69.07053	15.3
71.01338	2.4
71.04983	4.5
71.08619	0.8
73.06527	1.7
79.05479	66.1
80.05805	1.1
81.03401	16.9
81.03848	1.4
81.07043	45.2
83.04969	14.4
83.08601	11.2
85.06531	3.5
91.05465	48.3
92.05811	1.1
93.07028	64.1
94.07371	1.3
95.04956	21.5
95.08593	21.1
97.06509	10.2
97.10163	8.8
99.08082	3.1
100.73425	0.8
105.04509	0.9
105.07011	30.2
107.04936	7.5
107.07850	1.5
107.08575	28.8
108.08917	0.9
109.06493	6.4
109.10133	7.8
111.08083	4.1
115.05440	1.6
115.23296	0.7
117.06998	12.2
119.08560	20.9
121.06466	5.0
121.10115	9.6
123.08067	4.0
123.11715	1.8
125.09613	3.0
128.06201	2.9
129.06984	14.6
131.08553	10.0
133.06468	1.7
133.10107	12.8
135.08054	1.7
135.11670	22.2
137.09576	2.5
141.07008	2.8
142.07753	1.3
143.08539	8.2
145.06520	2.1
145.10092	13.0
147.08023	4.0
147.11655	20.2
149.09599	2.3
149.13187	4.3
151.11197	1.3
155.08574	2.7
157.10083	4.9
159.11717	3.8
161.09586	3.2
161.13249	8.0
163.11186	3.4
165.07042	1.1
165.09039	1.4
169.10098	2.5
171.08047	1.0
171.11642	16.0
173.13210	1.6
175.11189	1.8
177.12727	2.6
181.10112	2.0
181.12180	4.3
183.11624	1.8
183.25752	0.8
185.13237	1.4
189.11217	1.2
189.12723	5.7
193.10600	1.0
193.12100	4.0
195.11829	1.7
195.13727	1.2
197.13261	0.9
199.14809	1.6
201.12636	0.9
203.14264	0.8
207.11830	1.0
207.13756	22.4
209.13248	1.7
211.14920	1.0
213.12761	0.9
215.10649	0.7
215.14427	1.4
217.15848	2.0
221.13220	1.1
223.14954	1.7
225.12778	1.3
225.14674	5.5
227.12686	0.9
229.67616	1.4
253.15880	1.1
255.15924	1.0
257.15244	1.0
263.16495	0.9
281.17447	1.2
285.18542	1.2
323.23672	1.9
333.22034	0.9
341.24652	2.2
351.23151	4.3
369.24243	7.5
386.07681	1.0
387.25153	3.1
404.08939	1.0
405.26270	1.4
443.27844	11.8
443.34006	1.8
461.28912	100.0
461.41858	2.9
462.29425	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03919	1.8
54.62363	0.5
55.01848	2.2
55.05265	0.7
55.05508	9.9
55.59727	0.4
57.03412	2.2
57.07062	1.1
59.04984	0.9
65.03912	1.4
67.05498	26.5
67.63594	0.5
69.03411	2.1
69.07061	10.0
70.68277	1.2
70.68655	1.0
71.04960	2.2
78.98640	0.4
79.05482	20.0
80.05855	0.5
81.03412	20.3
81.07050	28.4
83.04964	4.6
83.08609	8.6
85.02866	0.6
85.06515	2.2
91.05470	18.4
93.07034	18.6
95.04960	12.1
95.08034	0.9
95.08594	11.4
96.08842	0.5
97.02888	1.1
97.06522	3.3
97.10153	4.1
99.04453	0.5
99.08064	1.5
103.05431	1.1
105.07023	12.3
107.04939	5.1
107.08585	10.6
109.06501	3.6
109.10148	7.7
110.10504	0.7
111.04453	0.5
111.08076	3.8
111.11710	0.6
115.05434	1.6
117.07004	7.7
119.04919	1.4
119.07777	0.9
119.08568	10.8
120.08884	0.5
121.06521	5.2
121.10134	7.5
122.07317	1.0
123.08039	2.3
123.11691	7.9
125.09612	3.3
128.06209	1.4
129.06982	6.2
131.04884	1.2
131.08540	9.9
133.06468	3.0
133.10110	7.7
135.08023	2.0
135.11690	3.7
137.09595	11.5
141.06938	1.5
142.07736	1.5
143.08583	3.4
144.08983	0.5
145.06445	3.3
145.10118	3.9
146.10423	0.6
147.08076	3.6
147.11682	3.9
149.09628	3.0
149.13260	8.6
151.07544	0.7
151.11119	1.0
153.09024	0.9
153.12704	1.9
155.08540	2.3
157.06494	0.6
157.10126	5.7
159.08018	1.9
159.11674	4.4
161.09641	0.8
161.13275	1.2
163.11119	1.3
163.14839	0.7
165.09094	100.0
166.09409	1.0
167.08588	0.9
169.10089	2.2
171.08037	0.7
171.11665	2.1
171.13783	0.6
173.09631	1.1
173.13199	1.3
175.11168	3.0
175.14784	1.1
177.12746	2.1
179.08592	0.7
181.10069	0.7
183.11708	1.5
185.09608	0.6
185.13239	1.7
187.11127	1.0
187.14731	1.3
189.11182	1.9
189.12767	1.1
193.12210	8.6
195.11766	1.1
195.13828	2.1
197.13275	1.0
199.14934	1.1
201.12692	1.4
203.14270	1.5
204.14629	0.8
205.12196	1.7
211.11148	0.7
213.12775	0.8
215.14322	0.8
217.12335	0.6
217.15938	2.4
225.12796	1.0
227.12645	0.9
231.13754	0.7
239.14195	0.7
249.14851	2.1
251.16389	0.6
257.15317	0.6
267.15973	0.7
289.18018	0.8
303.32117	0.5
304.87567	0.6
309.27863	3.6
323.23618	0.6
341.24826	1.4
343.22653	1.2
351.23181	4.4
369.24246	7.7
371.78891	0.6
387.25320	4.1
389.24731	0.9
405.26587	1.4
417.26413	1.6
425.26767	1.0
443.27921	13.1
443.34683	1.2
444.27817	0.6
461.28940	62.8
462.29349	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	461.2887
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
50.01584	1.0
53.03936	2.5
55.01859	2.9
55.05256	1.6
55.05502	20.9
57.03418	6.7
57.07047	1.5
65.03915	2.3
67.05492	42.7
69.03403	3.6
69.07053	15.5
71.04996	4.4
79.05475	36.9
81.03399	20.3
81.07041	40.3
83.04967	7.9
83.08598	13.1
83.09044	1.5
85.06521	3.5
91.05462	36.5
93.07027	32.3
94.07362	0.9
95.04948	21.1
95.08037	1.6
95.08592	19.5
97.06515	5.3
97.10141	8.6
98.20747	1.6
99.08077	2.4
101.06020	0.8
103.05495	1.0
105.07005	26.1
107.04926	8.9
107.08569	17.4
108.08900	1.0
109.06470	6.3
109.10126	7.6
110.84307	0.9
111.08063	4.7
115.05437	1.3
117.07000	13.5
119.04950	1.7
119.08559	17.2
121.06485	9.2
121.10109	10.4
123.04382	1.1
123.08055	3.9
123.11707	2.1
125.09595	6.1
128.06215	2.3
129.06137	1.4
129.06989	14.5
131.04910	2.7
131.08543	19.5
131.09511	1.6
133.06480	6.4
133.10117	12.6
135.08012	4.6
135.11623	6.0
137.09613	1.9
139.11159	0.9
141.06982	4.8
142.07776	2.8
143.08536	9.8
145.06453	8.1
145.10098	8.8
147.07983	5.7
147.11676	7.3
149.09618	4.6
149.13239	10.5
151.07536	1.2
155.08485	5.4
157.10109	8.3
159.08067	3.7
159.10367	1.3
159.11641	8.7
161.09615	2.6
161.13272	2.3
163.11147	3.8
165.06958	1.0
165.09067	1.6
165.12686	1.3
167.08543	2.7
169.10109	4.2
171.08061	2.1
171.11649	4.6
173.09563	1.6
173.13237	2.3
175.11133	5.1
177.12720	6.3
181.10104	2.5
183.11746	3.8
185.09666	2.0
185.13275	3.1
187.11168	1.8
189.09142	0.9
189.11226	3.7
189.12759	1.8
193.12196	9.9
195.11723	2.5
195.13803	2.9
197.13229	4.8
199.04321	1.0
199.11208	1.2
199.14801	3.6
201.12790	2.0
201.16376	1.1
205.12135	2.2
209.13280	1.2
211.13058	1.2
213.12764	1.6
215.14339	1.6
217.15826	4.8
223.14819	1.5
225.12759	1.7
229.68633	1.0
231.13818	2.2
239.14250	2.0
249.14932	2.9
257.15369	2.2
267.15732	1.2
269.17520	1.5
287.16364	1.2
323.23630	1.9
333.22198	1.7
341.24686	3.3
343.22632	1.3
351.23029	8.2
369.24179	19.3
377.98923	1.1
387.25250	9.9
405.26605	2.4
407.25790	1.7
417.26303	3.0
425.26605	2.1
443.27798	24.0
443.33859	1.7
461.28906	100.0
462.29233	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	461.2529
Annotation	Zahavin A
Peak:m/z	Relative Intensity
53.03914	1.5
55.01845	0.7
55.05505	5.8
57.03408	1.4
57.07040	1.0
59.20627	0.5
59.99912	0.5
65.03909	0.9
67.05497	11.0
69.03413	2.4
69.07064	4.8
71.04974	1.2
79.05064	0.8
79.05482	11.0
81.03403	4.0
81.07050	13.4
83.04961	2.8
83.08606	3.2
85.02894	3.0
85.06513	1.4
91.05466	10.6
93.07033	12.5
95.04958	4.7
95.08040	0.7
95.08591	8.9
97.02812	0.6
97.06533	2.2
97.10117	2.2
99.08043	0.7
101.19241	0.4
103.05406	0.9
105.07018	20.6
107.04905	1.9
107.08578	9.7
109.06496	5.4
109.10122	4.5
111.08058	2.2
111.11686	0.7
115.05402	1.2
117.07010	6.1
119.04880	1.1
119.08562	10.6
121.06475	3.3
121.10139	6.0
123.08062	5.1
123.11638	2.0
125.05939	1.1
125.09531	2.1
125.10412	0.5
128.06136	1.5
129.06985	6.0
131.08556	10.5
133.05609	0.7
133.06480	10.4
133.09245	0.6
133.10120	8.8
135.08046	4.0
135.11659	4.1
137.05913	1.2
137.09538	2.1
139.07484	1.5
141.06918	1.5
142.07751	2.7
143.07503	0.5
143.08542	9.3
145.06384	2.1
145.09055	0.6
145.10107	9.9
147.07994	3.1
147.11676	4.4
149.09586	4.2
149.13229	2.4
151.07521	25.3
151.11064	0.9
153.06966	0.9
153.09003	1.0
155.08536	3.6
156.09254	2.1
157.08936	0.8
157.10109	10.5
159.04855	0.5
159.07954	2.1
159.10435	0.5
159.11668	5.6
160.08682	0.5
161.09612	3.5
161.13197	1.8
163.07423	1.2
163.11110	2.0
163.14772	0.6
165.09079	4.4
167.08420	1.5
168.09135	0.6
169.10107	3.9
170.10789	0.7
171.07924	0.7
171.11650	5.6
172.12430	0.5
173.09526	1.5
173.13264	3.7
175.11153	2.8
175.14816	0.7
177.09122	2.3
177.12675	1.4
179.08548	0.6
179.10597	1.0
179.40250	0.5
180.09286	0.8
181.10115	2.6
182.10840	0.5
183.11678	3.4
185.09547	1.6
185.13202	5.2
187.11113	1.7
187.14740	1.9
189.12631	1.4
189.16275	0.9
191.10648	1.0
191.14232	0.6
193.10242	0.9
193.12154	2.0
194.10907	0.5
195.11571	2.4
195.13541	0.9
197.13246	3.3
199.11099	1.5
199.14793	3.4
201.12653	1.2
201.16284	1.4
203.10573	0.7
203.14223	0.8
205.12100	0.8
207.11586	1.8
207.13498	0.6
209.13245	2.4
211.14702	1.7
213.12631	2.2
215.14224	0.7
217.12158	0.9
217.15746	0.8
219.11572	0.7
221.13141	1.6
223.11111	0.6
223.14792	1.0
225.12460	1.2
225.16176	0.9
227.14246	1.1
227.17807	0.5
229.12209	0.6
231.13643	1.6
235.14763	0.8
237.16202	2.1
239.14275	1.2
241.15636	0.8
243.13748	0.7
247.14670	0.6
249.16209	0.7
251.14075	0.5
253.15764	0.6
257.15344	0.9
263.14282	0.7
265.15759	0.6
277.19263	1.7
281.26675	0.6
283.16736	1.2
289.20975	0.5
295.20288	0.8
305.18845	0.6
309.18338	0.6
313.21283	0.5
318.80591	0.5
319.20282	1.7
323.19946	1.0
337.21567	2.5
343.22116	0.7
351.22873	1.9
355.22583	1.1
365.21017	1.2
369.24374	2.5
383.21869	0.9
387.24942	1.4
391.73340	0.5
394.28262	0.5
401.23209	5.9
405.25815	0.6
422.44608	0.5
425.26749	0.6
425.33765	1.4
443.27585	4.5
443.34714	1.7
461.24963	100.0
462.25653	3.7
478.27692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01865	2.1
55.05502	6.6
57.03434	1.5
57.07074	1.6
67.05486	4.2
69.03419	7.5
69.07056	12.1
71.04977	3.0
71.62885	1.9
79.05479	4.8
81.03409	3.8
81.07040	14.0
83.04951	1.1
83.08611	6.7
85.02883	11.4
85.06537	3.6
87.00812	4.3
91.05462	4.6
93.07016	10.3
95.04976	1.2
95.08593	24.4
97.02870	7.4
97.10143	5.4
98.79372	0.9
99.04446	2.3
99.08076	17.8
105.01856	7.6
105.05978	1.1
105.07002	6.5
107.08578	27.2
109.02862	2.1
109.10131	7.1
111.08061	6.8
111.11742	1.1
113.09612	1.5
118.08599	2.4
119.04929	3.3
119.08530	1.4
121.02851	1.5
121.10128	46.5
125.09592	7.5
127.03880	6.2
131.04915	1.3
131.08646	1.3
133.10095	2.1
135.11668	10.3
137.05986	2.6
137.09634	1.9
137.13255	6.7
139.11201	2.4
143.04906	1.9
145.04932	3.3
145.10127	1.9
147.04369	14.0
147.11644	1.1
149.13255	3.4
151.07608	1.2
154.08626	2.2
157.10052	1.3
159.02849	1.6
167.07018	3.3
171.11700	1.1
177.05481	1.6
177.16357	100.0
178.05746	1.3
178.16638	1.2
195.17418	20.1
195.19095	1.8
213.18471	38.1
249.05989	1.3
287.05484	3.1
337.21530	1.4
461.18411	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01852	1.3
55.05503	7.2
57.03215	0.5
57.03433	5.0
57.07067	0.7
59.04940	0.5
60.75497	0.6
61.02921	1.1
65.03937	1.4
66.82555	0.5
67.05493	17.8
69.03419	2.3
69.07056	4.4
69.58475	4.6
71.04973	1.2
73.02905	0.8
79.05480	23.4
81.03403	4.6
81.07046	17.0
83.04972	7.1
83.08615	2.6
85.02872	1.7
85.06494	1.3
91.03919	0.7
91.04889	0.8
91.05463	18.3
93.07027	24.5
95.04945	8.6
95.08591	10.8
97.02856	1.9
97.06512	1.4
97.10138	2.2
99.04450	0.8
103.05437	0.9
105.04527	0.8
105.07012	14.8
107.04932	2.9
107.08586	8.6
109.02869	0.8
109.06496	2.8
109.10148	3.5
111.08045	1.5
117.07022	2.8
119.08556	9.6
120.14307	0.6
121.06440	1.6
121.10139	2.2
123.08041	2.6
123.11644	1.0
125.09536	1.3
127.03893	0.8
127.07507	1.0
128.06187	1.0
129.06996	5.8
130.07741	0.7
131.04919	1.0
131.08522	2.2
133.06477	0.8
133.10092	4.0
135.08043	0.8
135.11690	1.8
137.09608	0.8
143.08511	3.7
145.06459	0.9
145.10103	4.2
147.04398	0.7
147.08022	1.8
147.11662	11.6
149.09615	0.7
151.07542	1.9
157.10088	0.9
159.11644	1.0
161.09608	2.0
161.13237	5.7
163.11121	1.0
165.09109	3.3
169.10092	0.9
171.11662	10.1
177.09094	0.6
179.03328	0.6
189.12758	3.4
191.10609	1.1
207.13766	8.2
257.85535	0.6
263.19785	0.6
281.17426	100.0
282.17740	2.3
287.05386	0.7
287.98120	0.6
289.00195	0.7
425.27213	1.0
443.22821	1.1
443.28122	0.8
461.28607	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	461.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01179	0.4
69.03403	1.8
70.06573	0.6
70.75082	1.1
70.75469	1.0
74.09698	1.7
75.05573	0.5
81.03402	2.3
81.07015	0.6
85.02868	1.6
89.03902	4.6
91.05460	1.5
93.06990	0.6
97.02859	0.6
99.04427	0.9
104.73152	0.4
109.02854	1.2
117.03362	16.2
119.04907	0.8
119.08521	0.5
121.02850	0.7
121.10118	0.7
127.03895	0.6
134.03612	1.0
135.04391	1.6
136.07558	0.6
137.05956	0.6
137.09563	0.8
145.02820	46.8
146.03148	0.7
146.05983	1.6
147.04369	4.0
149.05966	5.0
163.03900	1.7
164.07071	1.3
165.09093	0.8
177.05440	100.0
178.05771	1.9
186.05464	0.5
195.06480	0.8
253.13409	0.6
271.33414	0.4
288.28857	0.4
299.13980	2.9
321.09622	2.7
339.10718	4.9
461.18906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	0.5
65.03925	0.6
66.06674	0.3
69.03413	1.1
70.58734	0.2
71.04972	0.3
71.62788	0.4
79.05496	0.4
81.03395	1.5
81.07048	0.3
83.04945	0.4
85.02888	1.6
85.06529	0.6
85.16931	0.3
89.03921	0.5
91.05461	5.9
95.04968	0.3
97.02877	0.8
99.04408	0.4
99.17279	0.3
101.06000	0.4
105.07032	0.5
107.04980	0.4
107.08540	0.4
109.02874	0.8
111.91168	0.3
117.03362	0.9
119.04924	18.1
119.08563	0.3
120.05270	0.3
123.04420	0.3
127.03899	0.6
135.04398	3.4
137.09630	0.4
145.02867	1.2
147.04388	100.0
148.04735	2.1
156.98480	0.3
163.03882	14.4
165.05453	3.3
167.07037	0.4
167.10687	0.5
177.05446	0.3
178.05016	0.6
181.04892	0.4
206.04408	0.5
233.08104	0.4
291.08551	1.8
309.09601	4.4
320.28973	0.3
325.09174	0.7
461.18988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
57.03432	0.3
57.60363	0.2
65.03901	0.5
69.03407	1.0
69.63960	0.6
69.64381	1.1
74.89188	0.2
76.85702	0.2
81.02987	0.3
81.03408	1.7
85.02880	1.0
89.03883	0.3
91.05469	6.8
95.04894	0.3
99.04461	0.3
105.03378	0.3
109.02861	0.7
112.30023	0.3
117.03402	0.4
119.04925	19.4
121.02829	0.3
123.07142	0.2
127.03899	0.6
135.04402	1.2
145.02823	0.5
147.04388	100.0
148.04715	1.6
163.03889	6.7
165.05461	3.4
225.18088	0.3
291.08603	2.3
299.11182	0.3
309.09628	4.1
310.10254	0.3
418.60345	0.3
432.84900	0.3
443.13556	0.3
461.16162	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
55.18674	0.3
57.03412	0.4
58.19026	0.3
59.04988	0.3
65.03928	1.0
67.05482	0.3
69.03404	1.7
70.94765	0.7
73.02888	0.3
79.05483	0.5
81.03402	1.5
81.07019	0.4
85.02888	1.6
85.06535	0.5
86.09647	0.3
89.03905	0.4
91.05464	6.8
94.43206	0.3
95.04946	0.5
97.02859	0.9
99.04454	0.4
101.48380	0.3
105.03376	1.7
106.03699	0.5
107.04957	0.6
107.08619	0.4
109.02865	0.8
109.10135	0.5
111.44492	0.3
117.03336	0.7
119.04922	17.3
120.05246	0.5
121.02821	0.4
127.03907	0.8
135.04404	3.2
135.05392	0.6
137.09647	0.4
139.03940	0.3
145.02832	1.3
145.06396	0.3
147.04384	100.0
148.04730	1.6
163.03880	8.6
165.05486	2.4
177.05476	1.6
188.68933	0.3
194.95293	0.4
212.87175	0.4
291.08557	1.4
309.09549	3.1
325.09186	0.5
443.14468	0.4
461.19122	0.5
464.23672	0.3
484.98224	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52872	0.2
55.01863	8.1
55.05500	0.4
57.03437	1.7
57.77404	0.2
58.53086	0.2
61.02910	1.6
66.72060	0.2
67.05480	0.7
68.99789	0.6
69.03069	0.4
69.03418	6.4
69.07050	0.3
69.87814	1.2
71.01347	1.0
71.48224	0.2
79.05470	0.4
81.03390	0.7
81.07058	1.1
81.07476	0.2
85.02412	0.4
85.02892	4.4
87.04451	0.9
91.05456	0.5
93.07020	0.7
95.04942	0.5
95.08582	0.6
97.02876	7.0
97.06512	0.2
105.01844	0.2
105.03377	0.3
105.07024	0.5
107.04935	0.5
107.08546	0.4
109.02846	0.8
109.10132	0.5
111.00772	0.9
115.03910	15.0
117.07034	0.2
119.08573	0.3
121.02850	2.4
121.10099	0.5
125.09628	0.3
127.03896	1.5
128.04189	0.4
128.06157	0.3
133.02831	0.6
133.10075	0.4
135.08023	0.4
135.11591	0.3
137.02313	0.7
137.09608	0.4
145.06448	0.3
147.04404	1.1
151.07545	0.7
153.01814	3.7
154.06244	0.5
155.06566	0.4
157.06441	0.4
159.11671	0.3
163.07558	0.3
163.11081	0.3
164.07860	0.3
165.01810	1.8
165.09099	0.7
175.06000	4.9
183.02867	0.7
185.05899	0.3
195.10133	1.2
196.10468	1.2
203.78149	0.2
213.05391	1.6
221.03008	0.2
231.06493	0.5
235.27245	0.2
241.04900	0.7
245.29332	0.2
258.02737	0.3
258.05066	1.2
259.65283	0.3
269.04379	0.3
287.05450	100.0
288.05804	2.0
299.05627	0.3
383.07458	0.4
407.24939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41687	0.2
55.01865	0.4
55.05498	0.3
57.03416	0.8
59.04974	0.4
61.02906	0.5
67.05487	0.3
68.99784	0.5
69.03419	20.2
70.17424	0.8
71.01346	0.3
79.05476	0.4
81.03378	0.2
81.07024	0.5
83.04957	0.2
85.02889	4.4
85.06528	0.3
87.04451	0.7
91.05444	0.4
93.07021	0.5
95.04962	0.2
95.08582	0.5
97.02877	15.4
102.31954	0.2
105.03368	0.2
105.07001	0.3
107.04948	0.5
107.08550	0.5
109.02875	0.5
109.06494	0.2
109.10140	0.4
111.00772	0.6
111.04416	0.2
115.03916	12.0
117.06998	0.3
119.08549	0.4
121.02856	3.4
121.06516	0.3
121.10121	0.3
123.04350	0.2
125.09631	0.2
127.03891	0.3
133.02838	0.6
133.10056	0.3
137.02327	0.9
143.08492	0.2
145.06456	0.3
145.10095	0.4
147.04390	0.8
151.11147	0.2
153.01819	3.9
155.76315	0.2
157.04935	1.4
157.06331	0.4
161.13239	0.2
165.01811	1.7
165.09099	0.5
175.06001	5.2
183.02831	0.9
185.05978	0.5
196.88126	0.2
197.05946	0.3
213.05356	1.3
228.22427	0.2
231.06509	0.6
241.04874	0.6
243.06381	0.3
258.05130	1.1
259.05911	0.4
286.04672	0.2
287.05453	100.0
288.05753	2.1
299.05649	0.9
306.69244	0.2
365.06476	0.7
383.07700	0.3
440.29065	0.2
457.77490	0.2
461.25333	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01859	2.1
57.03429	4.3
57.07068	8.3
59.04994	1.7
61.02917	8.1
69.03421	14.4
70.06572	0.6
71.04985	1.7
72.08141	0.6
73.02912	4.2
73.06551	6.9
74.06098	0.5
80.95787	0.4
81.03416	4.7
81.07068	0.6
83.01339	0.7
83.04966	0.5
85.02895	100.0
86.03247	0.9
86.09690	0.4
87.04463	2.3
91.03951	6.4
91.05488	0.9
95.04957	0.4
95.38718	0.4
97.02884	22.5
97.09499	0.4
99.04445	4.8
101.02380	0.5
103.03924	1.3
109.02871	7.2
115.03908	1.6
118.06548	0.5
119.04945	0.5
119.08497	0.4
119.10682	5.9
120.04469	0.4
123.04444	0.5
127.03904	26.0
131.10683	0.5
133.04938	0.4
135.04401	1.1
145.04944	59.1
146.06137	0.5
147.04381	3.9
149.11717	6.3
163.04048	2.1
163.05998	33.5
166.08643	0.7
177.29820	0.4
181.07076	0.7
183.05304	0.4
189.07564	0.9
194.87569	0.4
204.08687	0.8
209.15350	0.5
219.12210	1.4
225.09671	35.6
225.40356	0.5
225.42517	0.4
234.98921	0.6
263.09277	0.4
287.08588	0.4
289.09134	0.9
298.13007	1.9
325.11261	6.0
387.14822	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1072
Annotation	5-Hydroxypseudobaptigenin 7-O-glucoside
Peak:m/z	Relative Intensity
55.01873	1.3
55.05505	0.6
57.03428	0.4
57.07091	0.2
61.02906	0.5
65.03922	0.5
67.05494	0.9
68.99790	1.0
69.03423	15.0
69.07047	0.6
69.43506	1.3
69.43912	0.7
71.01350	0.4
71.04983	0.5
73.02902	0.4
79.05476	1.1
81.03396	0.5
81.07051	2.0
83.04981	0.4
83.08626	0.3
85.02896	4.1
85.06522	0.7
87.04460	0.5
91.05466	0.7
93.07009	1.2
95.04940	0.6
95.08608	1.3
96.87209	0.3
97.02882	11.8
97.06531	0.6
99.04462	0.5
99.08060	0.4
100.11192	0.2
103.05477	0.4
105.03368	0.5
105.07021	1.5
107.04944	4.5
107.08610	1.1
109.02888	0.7
109.06459	0.5
109.10139	0.9
111.00778	0.8
111.04418	0.6
111.08068	0.4
115.03913	8.0
115.05283	0.3
117.06985	0.5
119.04919	0.6
119.08574	0.8
121.01980	0.5
121.02851	9.9
121.06481	0.3
121.10134	0.9
123.04361	0.3
123.08043	0.3
125.05965	0.3
125.09623	0.5
127.03895	0.8
128.31619	0.2
129.07036	0.3
131.04932	0.4
131.08539	0.6
133.02869	0.6
133.10126	1.0
135.08057	0.4
135.11670	0.3
137.02339	1.1
137.05972	0.3
137.09619	0.5
139.03966	0.2
141.01799	0.5
141.06970	0.3
143.08505	0.5
145.02806	0.4
145.04962	0.3
145.06450	0.5
145.10083	0.7
147.04388	2.5
147.07977	0.3
147.11711	0.6
148.04697	0.3
149.02307	0.3
151.07545	0.3
151.11099	0.3
153.01816	4.1
154.08603	0.5
157.04945	0.7
157.06477	0.7
157.10054	0.5
159.04395	0.4
159.07968	0.3
159.11664	0.5
161.05966	0.5
161.09669	0.3
161.13220	0.3
163.07513	0.2
163.11154	0.4
165.01819	2.6
165.06926	0.2
165.09100	0.3
171.04385	0.3
171.11752	0.3
173.05984	0.8
175.03917	0.3
175.04312	0.4
175.06006	3.8
175.07472	0.3
175.14792	0.3
177.01862	0.3
178.72940	0.2
179.03421	0.4
183.02892	1.5
185.05981	0.5
185.13164	0.3
187.03886	0.7
189.05469	0.3
191.03258	0.3
193.04903	2.3
197.05998	0.7
201.05467	0.3
201.16434	0.3
203.03448	0.4
210.15060	0.2
213.05453	1.8
215.03302	0.4
217.04892	0.3
225.05423	0.2
229.04855	1.1
231.06508	0.9
239.07079	0.3
241.04996	0.9
243.06633	0.5
249.03802	0.4
257.04565	0.3
258.05215	0.9
259.06183	0.5
264.16632	0.4
269.04395	1.2
271.06021	0.4
272.06689	0.4
281.08652	0.3
281.22702	0.3
286.04672	0.7
287.05466	100.0
288.05804	2.2
295.05899	0.4
297.07635	0.6
299.05527	39.5
299.09036	6.3
300.06152	1.7
309.07465	0.9
311.05475	2.6
313.03571	0.3
313.06952	3.9
315.04767	0.6
321.07416	0.3
323.05579	1.8
325.03510	0.3
325.06903	1.1
327.04950	1.1
327.08572	0.6
329.06500	1.0
336.06403	0.4
337.06976	4.8
339.05011	0.5
341.06564	2.5
343.08112	0.6
353.06525	2.7
355.08084	1.2
359.07526	0.8
365.06528	13.4
366.06876	0.4
371.07635	0.5
383.07568	12.8
384.07971	0.7
401.08624	3.3
425.08618	3.9
443.09637	3.2
461.10715	14.3
462.10858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33162	0.5
53.03936	6.8
55.01862	7.6
57.03432	5.6
60.04501	0.9
60.89584	0.5
61.02917	4.5
68.99778	3.1
69.03425	26.3
69.44272	2.2
69.44700	3.1
71.01305	0.6
71.04977	4.3
73.02909	6.1
79.05460	1.7
81.03407	26.7
81.07028	0.9
83.01311	0.8
85.02895	70.7
87.00821	28.4
87.04459	0.7
91.03931	2.5
91.05452	1.1
93.07045	0.6
95.04945	0.8
97.02882	28.0
97.32880	0.5
98.06004	1.1
98.21447	1.3
99.04446	11.9
103.05447	5.5
105.01850	28.7
105.07001	2.3
106.03597	0.6
106.50887	0.5
107.04951	7.8
108.04462	8.7
109.02866	31.4
110.03181	0.6
111.04451	0.7
115.03901	2.4
117.01853	3.5
121.02851	0.9
121.06489	1.0
126.05501	5.2
127.03902	52.0
128.04253	0.8
129.01833	4.0
131.04829	0.5
133.06477	1.0
135.08052	5.2
139.03868	2.5
145.04941	26.5
147.02827	2.2
154.06227	26.9
155.06636	0.7
159.02875	16.3
163.07523	24.1
167.07051	1.3
173.05911	0.7
180.07730	1.4
189.03987	0.9
193.08641	0.8
195.10147	100.0
196.10486	2.3
200.12759	0.9
207.10065	0.7
212.05539	0.8
213.03819	3.4
219.10167	1.0
230.06683	2.8
231.04958	13.2
248.07628	7.8
249.05954	1.2
266.08646	2.6
285.11157	1.2
287.02576	1.0
287.05505	12.3
298.20309	0.9
303.12286	1.4
306.19009	0.6
379.19000	0.6
395.15082	0.7
460.22900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	5.7
57.07067	14.2
61.02917	9.0
63.04480	21.1
69.03429	13.7
71.04964	2.3
71.41848	2.7
73.02901	3.0
81.03408	6.4
81.64860	1.5
85.02895	91.8
87.04475	2.2
88.16444	1.3
88.90349	1.4
91.03942	4.8
91.05466	4.9
97.02875	26.0
99.04453	4.1
101.36327	1.3
103.03914	1.6
105.03408	2.8
109.02866	8.1
119.04928	11.1
119.10680	100.0
121.02826	1.7
127.02961	1.7
127.03900	25.4
145.04939	43.2
147.04388	66.7
163.03848	4.1
163.05991	19.9
165.05421	2.6
177.05467	1.6
178.10770	2.3
182.04967	5.6
183.05154	2.3
208.02824	3.9
209.03188	3.7
281.16052	2.7
309.09534	2.8
325.11404	3.5
327.08737	2.0
328.08701	3.9
329.08588	1.9
339.01355	1.7
460.21808	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12315	0.2
55.05479	0.4
65.03928	0.5
65.43543	0.2
69.03403	1.0
69.46002	0.5
69.46333	2.2
70.06573	0.2
71.04964	0.7
73.02892	0.4
74.09698	2.7
77.75397	0.2
81.03404	1.0
81.07037	0.3
85.02869	0.7
89.06026	1.3
91.05468	7.3
93.07008	0.3
95.04937	0.3
97.02883	0.7
98.20790	0.6
99.04440	6.1
105.07047	0.3
109.02884	0.3
113.60600	0.2
117.05488	1.4
119.04924	18.3
120.05264	0.4
121.02847	1.8
127.03909	0.5
131.04965	0.2
135.06491	0.3
136.97993	0.2
137.09576	0.3
139.03847	0.4
145.02786	0.6
147.04387	100.0
148.04713	1.6
163.03908	0.3
165.05469	0.9
177.05458	1.0
178.05852	0.6
245.07961	0.3
263.09143	1.4
263.12817	0.3
283.08069	0.6
291.08691	0.6
309.09674	1.8
467.45667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
65.03931	0.6
69.03406	0.8
69.54566	0.2
70.06551	0.3
71.04978	0.8
71.61922	0.3
73.02885	0.7
73.68456	0.2
74.09693	2.1
79.05441	0.2
81.03414	1.0
85.02892	0.6
86.09663	0.3
89.06030	1.3
89.06467	0.2
91.05464	6.4
93.07056	0.3
95.04964	0.2
95.08583	0.2
97.02868	0.8
99.04439	6.3
107.08559	0.3
109.02863	0.4
117.05492	1.4
119.04922	18.3
119.08528	0.2
121.02830	1.5
123.04473	0.2
127.03908	0.5
137.62357	0.2
139.03912	0.3
145.02870	0.3
145.76039	0.2
146.03297	0.3
147.04384	100.0
148.04758	1.4
163.03914	0.5
165.05408	1.0
173.08218	0.2
177.05400	1.1
178.05779	0.7
204.66705	0.2
246.23253	0.2
250.42885	0.2
263.09119	1.6
263.11838	0.2
265.07159	0.2
283.08203	0.4
291.08557	0.7
309.09601	1.5
325.79993	0.2
444.99359	0.2
448.54123	0.2
460.17020	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.05479	1.6
56.05026	6.6
57.03422	2.2
60.04512	0.7
61.02930	0.9
69.03429	4.4
70.06572	2.0
71.04971	0.9
71.62371	1.3
72.08143	1.2
74.06065	100.0
81.03397	3.6
81.07060	1.0
84.04475	4.1
84.08136	1.1
85.02888	4.6
85.36482	0.7
86.06058	2.2
86.09699	1.6
93.07056	0.9
95.06082	0.9
97.02873	3.4
98.06046	9.2
99.04424	1.3
102.05510	7.5
109.02869	6.2
110.07165	7.9
114.05489	1.1
116.07068	53.5
119.04912	1.0
120.06558	16.1
121.02847	3.4
121.06507	2.8
121.10057	0.9
125.55517	0.8
127.03901	3.3
144.06532	60.6
145.04916	2.4
145.06880	1.0
147.04361	5.1
147.11559	0.9
156.07658	10.7
158.97415	0.9
162.07587	9.0
163.03786	1.3
184.08781	0.8
209.15453	1.0
228.08676	2.4
230.30417	0.9
234.09695	0.8
240.08524	2.2
246.09650	2.4
264.10855	1.0
270.09653	14.0
280.16510	1.8
288.10727	10.1
297.14511	0.9
298.17511	3.8
299.73062	0.9
306.11740	3.1
328.02676	0.8
373.09741	0.9
394.26730	0.9
460.17554	6.2
461.15469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
55.05505	15.9
55.58617	1.5
57.07069	19.3
61.02914	3.8
67.05495	16.1
69.07058	30.2
70.26952	8.1
71.01323	6.0
71.08631	19.0
79.05479	13.9
81.07049	43.9
81.82592	1.8
83.08605	15.5
85.06541	2.1
85.10176	11.9
86.03419	1.8
90.01798	2.0
91.05476	17.3
93.07038	29.6
95.04935	2.3
95.08598	55.7
96.36454	1.7
97.10156	12.7
103.03929	9.2
105.07013	40.8
107.08581	39.4
109.06494	3.3
109.10138	21.4
111.11707	8.7
117.06992	7.1
119.07683	1.9
119.08562	32.6
121.06521	1.9
121.10119	28.5
123.08012	2.3
123.11691	14.4
125.13205	4.2
129.06972	2.2
131.08551	26.0
133.10117	21.3
135.11650	17.1
137.13199	6.4
143.08530	6.6
144.09395	2.0
145.10095	29.3
147.11659	23.7
149.13210	11.1
151.14790	2.8
153.09099	2.5
155.08453	2.1
156.51357	2.0
157.10066	9.8
159.11682	21.7
161.09657	2.1
161.13216	11.9
163.11125	2.3
163.14775	8.3
165.09056	2.6
165.16310	2.5
167.10675	2.6
169.08569	7.5
169.09952	2.6
171.11716	8.6
173.09622	4.7
173.13252	10.1
175.11197	3.3
175.14798	8.6
177.16382	3.8
179.10666	12.1
183.11601	3.5
184.00755	1.8
185.13298	9.0
187.11143	2.0
187.14804	8.5
189.16368	10.4
191.10678	3.2
193.12215	5.2
198.66579	1.7
199.14812	6.0
201.12805	2.0
201.16402	6.0
203.17967	9.4
203.72269	2.1
205.12231	18.8
207.13754	4.8
209.13251	2.7
213.12737	3.8
213.16344	5.8
217.19516	3.3
219.13757	2.2
221.22591	2.8
223.14806	2.7
227.14368	2.6
227.17891	4.1
231.20975	2.8
233.15366	4.7
233.22646	2.8
235.24147	2.2
243.21169	2.0
245.22757	4.1
247.16911	4.0
247.24184	5.0
255.17499	2.9
259.16937	4.8
259.24307	2.3
261.25827	3.8
269.19080	3.5
273.25797	2.7
287.19968	6.6
301.21634	8.6
341.31934	8.5
343.33563	35.3
344.33789	2.3
367.33533	8.6
381.35144	2.3
385.34564	2.4
387.15936	2.1
388.16827	3.2
399.15445	1.7
401.17468	7.4
402.18369	5.1
403.18930	2.0
409.34406	7.4
415.15067	3.8
415.19656	3.1
416.15567	2.0
417.20532	7.7
427.35818	3.7
429.16949	8.9
430.17526	5.2
431.18155	13.9
441.37289	55.3
442.37552	4.1
443.18823	4.9
444.19327	7.6
445.20129	18.2
459.21677	83.3
459.38309	30.8
460.22449	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3827
Annotation	Endodesmiadiol
Peak:m/z	Relative Intensity
52.65901	1.0
53.03928	3.1
53.69565	0.9
55.01867	5.9
55.05225	1.2
55.05500	29.3
57.07066	37.2
59.04995	2.7
61.02914	7.3
65.03928	1.5
67.05164	2.0
67.05495	28.7
69.03409	6.1
69.07056	72.8
71.01353	5.2
71.04979	1.5
71.08620	34.5
71.62522	1.4
71.62977	1.0
79.05480	25.7
81.07042	86.5
83.04951	3.3
83.08604	27.8
85.06528	3.7
85.10167	23.8
86.10460	1.0
91.05463	28.4
91.06001	2.1
93.07029	54.7
95.04961	6.0
95.08590	96.1
97.06507	2.2
97.09525	1.6
97.10153	25.6
101.06004	2.2
103.03935	10.4
105.07013	65.6
107.04935	1.5
107.08575	76.7
107.67048	1.1
108.08895	1.3
109.06490	5.8
109.10137	48.1
111.04401	2.0
111.08018	1.5
111.11700	17.8
111.32313	1.2
115.05437	1.4
115.07528	1.8
117.05453	1.0
117.06997	13.8
119.08566	59.1
121.06480	2.4
121.10121	49.6
123.08066	3.2
123.11678	24.0
125.13245	6.5
126.04626	1.0
127.07505	1.1
127.87178	1.1
128.06215	1.1
129.05476	10.2
129.06984	5.8
130.07744	1.8
131.08546	53.6
132.08850	1.2
133.06464	1.6
133.10107	49.5
135.08018	4.0
135.11667	28.5
137.05951	3.1
137.09581	2.6
137.13225	13.1
139.07594	1.5
139.14781	2.0
141.06949	2.4
142.07791	1.9
143.07039	3.5
143.08528	15.6
144.09294	2.3
145.06526	1.7
145.10097	61.5
147.08009	4.3
147.11664	51.8
149.09579	5.5
149.13229	21.0
151.14781	7.1
153.09065	3.8
155.08528	3.8
156.09406	1.4
157.08786	2.0
157.10083	15.3
158.10939	1.5
159.08070	2.2
159.11670	41.8
161.09595	3.8
161.13223	24.5
163.11107	5.0
163.14804	14.9
165.09074	3.1
165.16386	2.9
167.08403	1.4
167.10645	3.3
169.08595	9.5
169.10078	3.2
171.11671	18.0
173.09654	7.3
173.11763	1.2
173.13225	19.4
175.11198	6.7
175.14793	12.3
177.16400	6.2
179.10635	12.3
179.18028	1.3
181.10083	1.6
181.12123	2.4
183.10132	4.1
183.11716	4.7
185.13239	18.3
187.11183	5.4
187.14790	16.6
189.12724	1.6
189.16393	11.5
191.10660	4.8
191.17920	2.5
193.12201	7.8
193.19594	1.7
195.11674	2.7
197.11592	1.2
197.13266	3.6
199.11165	2.8
199.14804	13.0
201.12691	2.1
201.16348	13.2
203.14262	1.4
203.17909	12.0
205.12210	25.6
205.19460	1.2
207.13805	7.4
207.21022	3.0
209.13235	3.2
211.14847	2.5
213.12717	4.6
213.16328	11.0
215.14297	3.2
215.17941	2.4
217.12151	1.2
217.19490	4.1
219.13805	7.9
219.21066	2.6
221.15372	3.8
221.22614	4.7
225.16389	3.2
227.14316	4.7
227.17931	10.5
229.15819	2.1
229.19464	2.7
231.13791	2.9
231.20981	5.2
233.15295	6.8
233.22632	5.3
235.24178	4.2
241.15869	3.0
241.19524	4.3
243.21028	2.5
245.15388	3.5
245.22543	4.2
247.16922	7.2
247.24225	10.3
251.18004	2.8
255.17462	3.4
255.20880	1.6
259.16879	8.5
259.24231	2.8
261.18509	4.1
261.25745	7.1
265.17926	1.3
269.18988	7.3
269.22504	1.9
270.77841	1.2
273.18576	5.4
273.25714	4.6
275.19910	1.5
275.27307	1.8
277.17868	2.2
283.20703	1.4
283.24167	1.8
285.25653	2.1
287.19995	12.1
287.27295	3.8
289.21463	1.5
301.21564	16.0
301.28903	2.7
303.30234	1.3
313.28949	1.8
315.12323	1.2
315.23233	2.4
319.22580	4.5
327.30402	5.4
329.24475	1.9
339.30270	1.6
341.31970	14.7
343.26376	3.5
343.33530	53.7
344.34055	1.2
356.67859	1.3
357.28049	1.8
357.35162	3.2
367.33575	13.9
371.04224	1.1
381.35223	3.8
385.34784	5.2
391.33478	2.5
409.34549	11.5
417.33527	5.7
427.35605	10.5
441.37216	100.0
442.37604	3.1
459.21661	3.5
459.38287	90.0
460.22391	3.3
460.38477	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01874	3.5
55.05504	28.1
57.03433	3.9
57.07063	3.6
59.04988	1.8
67.05496	35.7
69.03428	5.2
69.07058	18.4
71.63000	3.7
79.05480	27.2
81.03425	5.5
81.06572	3.2
81.07046	54.9
82.07370	2.6
83.04966	9.3
83.08608	16.4
85.06513	2.9
91.05465	26.8
93.07030	38.2
95.04968	7.3
95.08600	64.2
95.09213	3.1
97.06515	4.5
97.10153	18.6
103.05470	5.4
105.07014	52.2
107.04955	3.5
107.08582	54.6
109.06493	9.9
109.10143	43.0
110.10444	2.2
111.04479	2.0
111.08083	2.8
113.06050	2.6
115.05423	3.6
117.06992	22.1
119.08566	57.1
121.06512	7.0
121.10129	42.5
122.10449	2.6
123.08064	5.3
123.11694	24.6
125.09650	11.3
128.06174	3.4
129.06967	10.5
130.07796	2.9
131.08546	28.6
133.06483	3.1
133.10110	42.3
135.08038	10.4
135.11684	15.6
137.09589	3.8
137.13281	2.5
141.06995	4.2
142.07773	3.9
143.08539	16.5
145.06497	6.0
145.10114	38.4
146.10643	2.1
147.08015	6.1
147.11671	29.7
149.09641	5.2
149.13242	29.7
151.07640	2.3
155.08534	9.5
156.09331	6.8
157.10129	21.4
159.08083	4.7
159.11646	26.7
161.09607	11.8
161.13232	19.7
163.11156	4.1
163.14789	23.4
166.74699	1.9
167.08569	3.5
169.10124	7.9
170.10840	5.0
171.08009	2.1
171.11656	16.7
172.12440	2.7
173.09657	5.6
173.13231	24.2
173.25316	2.0
175.11159	13.2
175.14795	32.0
176.15222	2.2
177.09145	2.8
177.16368	36.5
178.16643	3.3
179.17946	14.8
181.10109	2.4
183.11649	6.7
185.13196	12.7
187.11176	2.3
187.14804	34.5
188.12079	2.9
189.11250	10.2
189.12759	8.2
189.16351	26.7
189.35913	2.3
191.14296	6.5
191.17905	19.2
193.12187	2.9
193.15738	3.7
195.11758	3.7
197.13248	8.1
199.14816	7.7
201.12691	4.3
201.16342	9.6
203.14299	100.0
203.17941	23.1
204.14691	2.9
205.15822	11.2
205.19252	1.9
207.13809	2.4
207.17444	6.6
211.14819	5.6
211.43591	1.8
213.12773	4.2
213.16380	6.5
215.14314	32.4
215.17934	5.1
216.14697	2.6
217.15883	6.8
217.19447	2.2
219.13808	3.1
219.17438	2.9
221.15417	4.9
223.14935	2.5
227.12744	6.3
227.17862	2.7
229.15909	3.8
229.19467	5.3
231.17355	3.2
233.15356	14.5
235.14848	2.6
235.16986	3.0
245.15442	2.0
247.16888	3.1
251.16515	7.3
255.21063	2.5
259.17004	2.8
263.16388	4.3
271.16794	2.0
328.50735	2.0
349.21634	3.8
367.22574	10.0
368.23151	3.1
375.30414	3.2
385.23883	9.0
387.30569	2.7
393.31418	7.4
405.31430	13.5
411.32407	4.1
423.32623	20.1
441.26312	18.3
441.33527	18.7
442.26816	3.1
459.27332	36.6
459.34564	44.8
460.27704	6.8
460.34412	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	459.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46026	1.8
53.03944	2.9
54.01539	1.7
55.05506	21.0
57.03429	1.9
57.07068	3.3
59.92128	1.7
65.03920	2.5
67.05501	33.0
67.94745	1.9
69.03428	4.1
69.07062	22.2
69.41644	16.8
71.04994	2.4
79.05483	22.8
81.03409	5.5
81.07049	84.9
83.04958	9.3
83.08613	26.4
85.06517	2.3
91.05479	20.1
93.07031	40.4
94.43577	1.8
95.04958	7.0
95.08597	93.2
96.08956	2.0
97.06512	3.0
97.10157	29.1
99.08051	3.7
105.07019	46.8
107.04948	3.5
107.08585	45.4
109.06487	9.3
109.10142	100.0
110.10511	2.8
110.13910	2.0
111.08057	3.5
117.07005	9.1
119.08569	42.3
121.06492	7.6
121.10136	42.5
123.08000	4.3
123.11695	87.4
125.09602	3.1
128.06216	2.3
129.06958	4.6
130.07809	3.2
131.08556	22.5
133.06462	4.7
133.10118	31.3
135.08052	11.0
135.11694	13.5
137.06068	1.9
137.09578	3.4
137.13216	2.7
141.07013	2.2
142.07724	3.4
143.08571	13.5
145.06483	3.6
145.10114	34.1
147.08060	8.6
147.11662	24.7
149.09589	5.5
149.13255	21.5
151.07568	3.1
151.11227	2.7
155.08563	6.4
156.09332	9.5
157.06508	1.8
157.10117	19.6
158.10854	3.4
159.08060	6.3
159.11690	24.9
160.08633	1.8
161.09586	8.5
161.13237	18.6
163.11211	3.1
163.14807	28.9
165.09126	3.4
169.10121	6.7
171.08006	2.9
171.11679	28.5
173.09584	7.3
173.13260	22.2
174.10266	2.4
174.13516	2.4
175.11147	13.2
175.14813	35.6
177.12836	2.4
177.16374	55.3
178.16704	3.4
179.17929	94.6
180.18286	3.4
183.11676	7.9
185.09636	4.3
185.13257	11.5
187.11153	4.0
187.14816	25.5
188.11996	2.4
189.11311	2.4
189.12723	13.0
189.16365	30.3
191.14339	4.6
191.17949	24.5
193.12254	3.1
193.15785	9.1
195.11662	2.3
196.12347	2.4
197.13266	5.0
199.14824	9.1
201.12758	7.2
201.16331	12.4
203.14296	60.7
203.17909	25.7
205.15836	9.0
207.17401	15.4
211.14815	3.1
213.16328	5.6
215.14262	13.4
215.17819	4.4
217.15833	9.7
217.19504	2.7
219.13794	7.6
221.15350	5.1
227.14375	3.1
229.15854	5.3
229.19447	3.3
233.15381	13.7
245.15335	7.0
247.17027	3.6
251.16495	5.0
263.16376	7.0
273.18088	2.5
281.17343	4.0
349.21332	2.0
367.22562	4.3
377.32077	2.9
385.23654	5.9
387.30496	3.1
393.31390	11.7
405.31604	14.3
411.32553	10.1
423.32547	19.9
441.27289	3.5
441.33597	25.0
459.27402	23.4
459.34586	84.6
459.41214	4.4
460.27939	3.7
460.34872	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01849	1.2
55.05500	3.9
57.03426	0.6
57.07051	1.2
62.15917	0.3
62.16796	0.3
65.03936	0.5
67.05494	7.5
69.03415	2.3
69.07063	4.7
71.04963	0.9
71.61835	0.3
77.03858	0.4
79.05468	4.5
81.03405	11.0
81.06572	0.6
81.07042	10.2
83.04979	2.1
83.08598	3.1
85.02882	0.8
85.06546	1.6
91.05466	6.1
93.06469	0.4
93.07027	5.5
95.04961	3.9
95.08588	6.8
97.02853	0.5
97.06536	1.6
97.10149	3.6
99.04463	0.6
99.08084	0.8
105.04488	0.3
105.07008	5.5
107.04925	1.9
107.08575	4.9
109.02869	0.7
109.06486	1.3
109.10139	10.4
111.04386	0.4
111.08073	1.9
111.11755	0.4
113.09631	0.5
116.06184	0.3
117.06984	1.1
119.04926	0.7
119.08556	5.7
120.08925	0.4
121.06525	1.6
121.10125	2.3
122.07279	1.4
123.04391	0.7
123.08069	1.7
123.11693	5.1
125.05959	0.4
125.09609	5.2
127.11169	1.7
129.06961	1.7
131.04895	0.4
131.08534	2.6
133.06445	0.9
133.10106	2.8
135.08032	1.4
135.11658	2.2
137.05902	0.5
137.09593	10.8
137.13289	0.7
139.07536	0.3
139.11162	2.1
141.06929	0.3
142.07735	0.7
143.08540	1.2
143.10660	0.9
145.06462	0.8
145.10100	2.1
147.04404	2.7
147.08028	1.0
147.11684	2.0
149.02290	1.0
149.06001	0.5
149.09558	2.0
149.13266	0.7
151.07518	7.8
151.11092	0.7
153.09019	0.6
153.12703	1.7
155.08472	0.8
157.06532	0.4
157.10114	2.1
157.12144	0.4
159.07997	0.9
159.11691	1.2
161.05919	0.3
161.09581	1.2
161.13260	0.9
163.07428	0.3
163.11133	0.8
163.14781	1.1
165.09087	100.0
166.09442	1.7
167.08542	0.4
167.14417	0.3
169.10097	0.6
169.12222	1.0
171.07983	0.3
171.11690	0.6
173.09578	0.7
173.13258	0.5
175.07547	0.4
175.11122	1.9
175.14674	0.5
177.09093	2.3
177.12758	0.4
179.10597	0.3
183.11740	0.6
185.13185	0.5
187.11147	1.0
187.14828	0.6
189.09120	0.7
189.11137	0.5
189.12715	0.7
189.16406	0.4
190.09837	0.3
191.10628	2.0
193.12215	3.7
195.11551	0.4
197.09639	0.4
197.13170	0.5
199.11122	0.8
199.14867	0.6
201.12543	0.3
201.16319	0.4
203.10626	1.1
203.18085	0.3
205.08640	0.4
205.12212	5.7
209.13211	0.5
211.16878	0.6
213.12709	0.5
215.14122	0.4
215.17896	0.3
219.13890	0.3
231.13742	0.5
233.15404	0.5
235.16885	0.3
237.22154	0.7
245.15463	0.3
249.14778	0.8
257.15384	0.4
259.24213	0.7
277.25174	3.5
279.23203	0.3
285.18585	0.3
289.25256	0.7
295.26282	8.5
298.08252	0.3
307.26291	1.9
315.19415	0.5
317.20956	1.5
332.44995	0.3
349.21439	0.6
350.44785	0.3
357.23996	0.3
367.22504	1.8
372.77676	0.3
385.23633	2.3
386.12650	0.3
403.24969	0.5
423.32883	0.4
441.25824	0.8
441.33514	1.3
459.16843	0.8
459.27277	14.1
459.34415	3.2
460.18048	0.3
460.27536	1.7
470.53500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3099
Annotation	CHEBI:69585
Peak:m/z	Relative Intensity
53.03940	3.4
55.05488	9.2
57.07051	2.5
60.64071	2.5
63.52526	3.0
67.05497	17.8
67.39345	3.0
69.07079	16.7
70.14320	14.5
70.75772	2.9
71.04950	3.7
73.06499	2.6
79.05475	17.1
81.03397	3.5
81.07050	23.5
83.04988	3.2
83.08608	8.4
85.06525	5.4
91.05454	11.7
93.07031	26.7
95.04934	4.3
95.08599	50.9
98.21452	4.2
105.07018	27.3
106.47089	3.5
107.08579	43.4
109.06491	9.4
109.10142	38.1
111.08087	3.8
117.07017	8.3
119.08566	62.3
119.09428	4.1
121.06491	3.1
121.10125	45.8
121.10924	5.2
123.07995	5.4
123.11694	12.7
125.13258	3.2
131.08556	19.7
133.10124	29.1
135.08032	6.4
135.11707	23.1
137.09622	7.7
137.13251	3.5
143.08533	9.5
145.10103	41.8
147.11662	20.0
149.09639	4.8
149.13239	8.6
153.09053	3.6
155.08553	10.3
157.10175	13.7
159.11678	20.7
161.09644	4.2
161.13229	19.3
163.11154	5.7
163.14795	13.9
165.09077	7.9
165.12746	5.4
169.10101	10.5
171.11647	10.6
173.09648	3.6
173.13232	17.1
175.11127	4.1
175.14877	14.1
177.09149	3.8
177.16397	3.8
183.11711	9.8
185.13269	10.4
187.14795	100.0
189.16362	25.2
191.17877	10.1
195.13760	5.1
197.13261	3.9
199.14838	8.2
201.16383	24.7
203.14236	4.9
203.17943	7.9
205.12363	6.0
207.13782	12.6
207.17348	4.1
211.14766	3.7
213.16388	15.6
215.10555	4.9
215.17963	13.1
221.15361	11.1
225.16377	12.2
227.17915	9.7
229.15759	5.8
229.19508	4.9
233.15349	5.1
237.16209	4.4
239.17917	8.4
241.19334	4.9
247.16939	7.1
265.19272	2.9
267.17447	4.0
271.16986	5.9
281.22699	3.5
285.18491	13.8
287.19955	5.3
299.20029	6.1
313.17938	3.6
323.27261	5.5
335.27206	6.0
351.26608	4.3
369.27850	10.5
377.28278	20.6
379.26132	6.7
395.29422	84.6
397.26794	6.5
397.31125	10.9
423.28830	9.7
441.29556	40.0
459.27203	3.9
459.34833	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	459.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01862	4.0
55.05503	16.3
57.03430	3.9
57.07053	0.8
59.04975	0.6
65.03920	0.9
67.05495	20.6
67.05865	1.0
69.03420	3.3
69.07053	6.2
69.60389	3.9
71.04972	2.2
72.07813	0.5
78.77370	0.4
79.05479	20.1
80.97444	0.5
81.03404	51.9
81.06567	1.0
81.07044	18.1
83.04967	4.1
83.08129	0.9
83.08607	14.2
85.02875	0.8
85.06524	1.6
91.05464	19.4
93.07028	12.5
95.04951	16.5
95.08587	10.3
97.02863	1.3
97.06514	2.7
97.10153	8.9
98.20625	0.5
99.04433	0.6
99.08083	0.6
103.05451	0.9
105.03390	0.5
105.07011	16.3
107.04932	10.1
107.08575	10.9
109.02825	0.7
109.06477	4.1
109.10142	7.3
111.04434	1.3
111.08053	6.0
115.05421	2.4
117.06995	5.9
119.04932	1.7
119.08559	11.8
121.06487	7.9
121.10133	5.8
123.04423	1.2
123.08045	3.6
123.11685	1.9
125.05978	0.8
125.09608	6.9
127.11173	0.6
128.06171	2.4
129.06985	10.9
130.07744	0.6
131.04912	3.3
131.08553	11.3
133.06476	5.7
133.10100	6.0
135.04425	0.9
135.08035	2.9
135.11688	2.2
137.05963	0.6
137.09595	3.6
139.11168	0.6
141.06960	2.0
142.07777	1.8
143.08533	4.9
144.05649	1.4
145.06458	14.9
145.10104	5.1
147.04353	0.8
147.07996	4.9
147.11658	6.4
149.06006	0.7
149.09621	4.0
149.13260	1.3
151.07529	3.6
151.11143	0.8
153.09071	2.0
154.07732	0.6
154.44557	0.5
155.08492	3.3
156.09286	0.7
157.06503	3.5
157.10110	8.7
159.08003	3.8
159.11679	1.8
161.05971	2.6
161.09575	2.1
161.13193	0.8
163.07582	0.6
163.11160	2.1
165.06993	1.0
165.09094	17.9
165.12752	1.3
167.08545	1.5
169.06462	1.2
169.10068	3.1
171.08014	4.9
171.11638	2.9
173.09578	1.8
173.13239	1.6
175.07628	0.9
175.11165	7.8
175.14774	0.6
177.09000	0.6
177.12744	1.0
179.08493	0.6
181.06573	0.8
181.10080	1.8
183.08090	1.8
183.11653	1.7
185.09583	1.7
185.13251	2.2
187.11093	1.1
187.14813	1.6
189.11154	2.4
189.12686	1.1
189.16411	0.5
191.10623	1.5
193.12212	28.6
195.08037	1.3
195.11641	2.5
197.09587	1.3
197.13242	2.9
199.11150	2.4
199.14780	0.6
201.12784	1.0
203.14267	1.0
205.12265	1.4
207.11707	0.8
209.09636	0.9
209.13341	1.1
211.11127	1.6
211.13112	1.0
211.15002	0.7
213.12697	1.3
215.10654	0.6
215.14227	2.3
217.15802	0.5
219.13733	0.6
221.13295	0.8
223.11185	0.8
225.12700	1.8
227.14281	1.8
229.12286	0.5
229.15918	0.5
231.13873	1.1
233.15379	1.5
235.11256	0.6
237.12685	2.8
239.14256	1.0
241.12173	0.6
243.13748	0.6
245.15359	1.0
247.13277	1.0
249.14775	3.7
255.13776	4.2
257.15417	1.2
269.15359	1.0
273.14813	12.0
275.16495	1.0
281.15176	1.0
283.16776	1.2
287.16397	1.9
289.17847	0.7
299.16330	1.0
311.16376	1.3
321.21973	1.1
323.20261	0.6
331.20377	1.1
339.23062	4.1
341.21198	1.1
349.21579	9.1
349.25623	0.8
357.24185	2.3
367.22617	25.3
385.23660	22.0
395.25845	1.3
403.24789	4.7
405.24173	2.1
413.26645	0.6
415.24728	0.7
423.25256	1.3
441.26123	6.6
459.27322	100.0
460.27753	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	458.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12317	0.2
53.03934	0.4
59.03428	0.2
59.62012	0.2
61.02905	0.3
62.48116	0.2
69.03416	1.2
70.06578	1.8
71.04989	0.3
71.62512	0.3
71.96071	0.2
73.02883	0.3
74.06059	0.7
77.27110	0.3
79.05476	0.7
81.03393	0.4
81.07021	0.4
84.04513	0.4
85.02896	3.1
85.06522	0.5
86.06053	0.4
87.04483	0.3
91.05460	1.1
93.07031	1.3
95.04973	0.5
97.02878	1.6
97.06520	0.2
97.63502	0.3
98.97566	0.6
103.05453	5.7
105.07027	0.3
107.04929	1.7
109.02868	0.5
110.06081	0.3
111.04449	0.3
112.07607	1.4
113.06019	1.2
113.07950	0.4
116.07089	0.5
116.98618	0.2
119.01891	0.3
120.08086	100.0
121.02856	1.0
121.06486	4.7
121.08403	1.3
122.06793	1.6
127.03887	1.1
131.04913	3.3
131.07013	1.9
131.31209	0.3
136.06187	0.6
137.05946	0.4
138.09103	1.4
139.03908	0.3
139.09457	0.3
140.07062	0.5
144.06546	0.3
145.04942	0.7
147.03291	0.3
147.04376	0.9
149.05943	1.8
158.08083	0.5
163.03883	1.0
164.07054	0.3
166.08615	55.1
167.07050	0.5
167.08939	0.6
172.07556	0.3
180.08859	0.3
188.07034	1.6
197.07979	0.3
215.05547	0.3
237.02736	0.5
278.10233	0.4
296.11264	2.2
303.12573	0.3
336.06802	0.3
458.16614	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	459.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
54.83318	1.9
55.01846	5.1
55.05502	2.5
57.03434	11.0
61.02910	9.2
65.03941	3.4
67.05486	3.6
68.05018	2.3
69.03418	31.5
70.06577	6.6
71.04978	5.8
71.60883	3.4
72.08128	2.1
73.02898	6.9
73.06554	3.6
79.05459	3.1
81.03406	13.7
81.07041	3.2
82.99870	2.3
84.08129	6.2
85.02889	66.4
86.03227	4.5
86.06055	6.0
86.09679	2.9
87.04443	4.8
91.03928	5.2
91.05457	9.8
95.04982	4.0
97.02872	34.3
98.97588	5.6
99.04447	7.8
99.08095	5.0
101.00870	9.2
107.04948	4.1
109.02866	8.6
109.06495	2.3
111.04411	2.9
112.07565	5.0
116.98611	4.3
118.01131	3.4
119.01900	35.5
119.04948	10.6
120.02045	2.4
121.01673	3.5
121.02831	14.7
121.06482	59.3
122.06799	19.7
123.04408	2.9
127.03903	23.9
128.98558	2.5
131.01868	18.1
133.01643	2.9
133.03452	5.9
133.06445	3.7
135.04420	4.0
136.06177	5.0
137.02950	11.1
137.05948	48.6
137.06921	4.0
138.09100	20.3
139.03903	3.2
139.09456	8.5
140.03415	3.9
142.01036	2.7
143.01860	20.4
145.01614	4.8
145.03587	12.6
145.04964	20.1
145.07578	85.6
146.99649	3.0
147.03235	4.1
147.04337	33.1
148.04707	3.6
149.06657	2.7
151.06302	2.7
155.01865	13.2
156.02672	5.9
157.01561	2.7
157.03407	10.4
158.99672	3.2
159.01286	2.2
159.03236	2.4
160.02119	5.9
160.07529	4.9
161.02942	58.3
161.05945	3.3
162.03146	7.7
163.02654	9.9
163.03920	20.6
163.08667	12.5
164.04298	2.8
165.05408	6.0
167.07013	10.4
168.02715	2.7
171.05020	3.0
173.02931	28.9
173.06564	3.6
175.02635	4.7
175.04549	7.6
177.00722	3.4
179.01996	4.1
179.03754	1.9
179.07045	4.8
181.03444	4.9
185.02898	12.5
185.06560	5.7
186.03691	3.8
187.04553	3.0
189.05992	4.0
191.03935	2.4
195.04991	14.6
196.02119	13.4
196.04607	2.4
197.02997	20.6
197.06488	4.7
197.08101	8.5
199.04555	2.4
199.08278	2.7
201.06245	2.4
203.03993	15.0
203.07507	2.5
205.03699	3.9
205.05539	2.5
211.04489	7.0
213.06088	6.3
215.03925	4.3
215.07722	6.1
219.01845	5.0
219.05003	18.6
219.06911	2.0
219.07811	2.2
219.57959	2.8
221.02965	2.9
221.04976	33.6
222.03493	3.5
223.04614	6.7
223.06650	4.4
225.06075	3.7
227.04002	3.2
228.04578	2.4
229.05544	7.1
235.04562	7.2
236.05225	4.4
236.08928	3.6
236.59029	7.8
237.02820	6.6
237.06052	29.9
237.08655	2.8
238.06310	3.6
239.03966	5.6
240.04790	4.7
244.04262	81.5
244.06612	3.0
245.05006	54.1
245.11270	2.5
247.04372	10.6
249.06041	7.0
253.05496	25.4
254.06165	3.9
255.07169	3.2
257.04849	3.7
258.05978	2.5
259.04620	5.7
261.03653	2.3
261.05978	12.7
262.05173	10.9
263.06049	13.7
264.04721	12.7
265.05396	5.8
267.07233	7.9
273.08212	6.3
275.09744	7.8
277.05511	5.0
277.09415	3.9
279.00171	3.0
279.07043	28.7
279.13370	29.0
281.05515	2.8
282.05826	8.9
287.09491	2.7
289.05643	2.6
290.06473	2.6
291.07086	4.4
293.10843	11.8
294.10974	5.0
295.10593	9.5
296.58118	2.3
297.08124	52.2
297.14267	5.1
302.08588	2.9
304.13885	2.7
305.10748	4.2
307.06415	12.6
309.08304	13.3
315.09061	7.2
317.61533	6.1
318.05869	2.7
318.11667	5.3
320.09839	2.9
321.07980	15.3
327.09381	3.2
336.06848	13.0
337.07642	6.3
339.09247	5.8
348.06802	45.7
349.07401	5.9
351.09207	5.1
363.09201	20.8
366.07950	14.7
367.11255	2.7
369.10062	4.4
381.10254	77.3
382.10492	3.9
399.11276	79.0
400.11240	6.0
411.10965	3.2
417.12302	14.0
422.12784	4.3
429.12018	2.6
436.12201	3.1
441.13104	4.3
459.13141	45.5
459.19598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.7
57.44066	0.6
67.05474	1.0
69.03400	0.9
69.07051	3.0
71.04974	1.1
71.61942	0.7
71.62306	1.0
81.03382	1.5
81.07029	1.1
85.02884	2.9
85.06546	1.4
89.03886	4.0
89.06004	1.7
91.05447	1.3
93.06982	1.1
95.04897	0.8
97.02872	1.6
97.06500	0.7
99.04393	1.0
105.07021	1.6
106.04289	0.7
106.07353	0.8
107.08554	0.7
109.02871	1.5
109.06528	0.8
117.03358	13.0
119.04894	0.9
121.02866	1.1
121.10131	0.8
127.03883	1.1
131.04887	2.9
135.04376	2.2
137.09549	0.7
138.59962	0.9
145.02826	45.3
147.04375	4.3
148.04735	0.8
149.05937	6.7
151.09608	1.1
161.09508	0.9
163.03906	1.1
177.05443	100.0
178.05801	2.2
183.08037	1.7
187.07509	0.8
189.09004	1.6
195.06535	2.3
207.06419	1.0
211.07497	1.4
215.10626	2.9
243.10133	10.7
243.13962	1.0
256.44305	0.7
261.11230	1.8
279.21628	1.1
321.09760	1.1
334.15152	1.1
339.10776	4.1
458.23294	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3666
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03939	0.7
54.60353	0.5
55.05501	4.3
57.07067	1.9
62.06089	0.7
64.79021	0.5
67.05490	5.6
68.06139	0.5
69.03422	0.9
69.07053	5.2
69.75760	0.5
71.04992	0.8
71.08607	0.7
79.05471	4.0
80.87971	0.5
81.03406	0.7
81.07049	13.4
83.04958	2.9
83.08618	3.0
85.06517	0.8
86.22169	0.5
91.05470	4.3
93.07027	10.5
95.04973	1.4
95.08590	19.0
96.08942	0.7
97.06535	1.3
97.10180	1.6
98.21516	0.8
99.08131	1.1
105.07013	9.8
105.07666	0.7
107.08572	17.0
107.09266	0.9
108.08922	1.0
109.06537	2.1
109.10136	12.0
111.08092	1.7
111.11723	0.6
113.09655	1.3
117.07011	1.8
119.08558	13.4
120.08927	0.7
121.06513	1.2
121.10123	11.3
123.08106	1.8
123.11678	4.4
125.09592	2.9
128.06165	0.6
129.06987	1.4
131.08566	4.7
133.10103	10.9
135.08058	2.0
135.11674	10.5
137.09630	1.2
137.13257	1.9
139.07553	1.2
139.11230	0.8
143.08543	2.9
145.10115	5.7
147.08069	1.2
147.11662	6.6
149.02512	0.6
149.09595	3.6
149.13235	5.9
151.11249	0.6
153.09102	0.8
155.08505	1.0
157.10106	3.4
159.08136	0.7
159.11673	4.9
160.12071	0.8
161.09630	2.8
161.13226	5.4
163.11253	0.8
163.14804	2.7
165.09085	0.5
169.10199	1.0
170.88927	0.7
171.11653	2.7
173.13260	4.2
174.13774	0.6
175.11148	2.4
175.14812	6.0
177.12727	1.3
177.16312	3.6
179.14366	1.0
183.11694	1.1
184.04378	0.7
185.13228	2.5
187.11319	0.6
187.14818	4.0
188.15471	0.6
189.12743	1.8
189.16362	6.9
190.16777	0.6
191.14397	1.0
191.17935	2.7
193.15849	1.1
197.13318	1.2
199.14923	1.8
201.12819	1.2
201.16371	3.0
202.16745	0.8
203.14386	2.0
203.17877	5.2
205.15919	1.2
207.17482	1.7
211.14822	0.6
213.16484	2.3
215.14452	0.9
215.18024	2.3
217.15981	2.1
217.19505	0.8
219.17522	0.7
221.19057	1.9
227.17989	0.9
231.17461	1.1
232.14662	0.8
233.15508	0.5
235.16847	2.7
241.19641	1.1
243.21135	0.6
247.38812	0.7
249.15187	0.5
249.18605	1.4
255.21228	0.8
256.26285	0.7
259.20636	0.8
262.43832	0.5
267.21188	1.0
273.22214	0.7
285.22153	1.3
299.23911	0.6
303.23083	1.0
314.27853	1.6
316.28403	2.2
329.28137	0.6
375.30566	0.7
395.33264	0.6
411.32755	1.9
421.30649	1.1
421.35422	1.2
439.31201	1.7
439.36700	5.3
457.36935	100.0
457.81320	0.9
458.37244	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	457.3671
Annotation	Lansiolic acid
Peak:m/z	Relative Intensity
53.03938	1.9
55.05500	12.9
57.03423	3.4
57.07057	5.8
59.04992	4.6
67.05497	21.9
69.03381	1.8
69.07059	20.9
71.04967	4.1
73.06569	2.2
74.12489	1.6
74.21677	1.6
79.05039	2.1
79.05484	22.2
81.07048	61.5
83.04962	2.7
83.08619	9.7
85.06542	10.1
91.05469	23.0
93.07030	51.7
95.04942	6.6
95.08595	100.0
97.05908	1.5
97.06516	6.6
97.10149	7.3
98.21514	3.8
99.08041	2.5
105.07018	57.3
107.08584	79.5
109.06529	8.6
109.07166	1.5
109.10146	51.8
110.10458	1.6
111.08060	6.2
111.11695	3.1
113.09615	5.4
113.17066	1.7
117.06992	9.3
119.08564	69.3
120.08913	1.5
121.06483	4.1
121.10130	53.3
123.08036	7.5
123.11688	21.0
125.09598	7.0
127.11231	2.0
129.07002	3.4
131.08569	28.9
133.10110	52.2
133.11070	3.6
135.08029	4.5
135.11676	47.9
137.09604	5.3
137.13237	13.1
139.11150	2.4
142.07748	3.4
143.08521	10.2
144.09309	3.4
145.09012	3.2
145.10106	40.1
147.11670	40.6
149.09575	2.6
149.13231	28.9
151.11169	3.5
151.14806	2.0
153.09065	1.9
153.12686	2.6
155.08537	2.1
156.09341	2.5
157.10115	14.7
159.11665	34.6
161.09644	3.9
161.13225	29.0
163.11191	3.3
163.14777	16.3
165.12808	4.4
169.08838	1.7
169.10107	7.1
170.10872	2.2
171.11632	14.8
173.13252	33.6
175.11211	2.8
175.14809	41.6
177.12733	7.5
177.16368	30.8
179.14308	6.7
183.11629	5.4
185.13243	10.6
187.11229	2.4
187.14806	44.0
189.12704	3.2
189.16347	27.2
191.14279	18.1
191.17914	28.8
193.15875	6.6
197.13234	4.7
198.13998	2.2
199.14775	9.9
201.16356	25.4
203.14310	4.1
203.17928	25.9
205.15851	16.9
205.19560	2.3
207.17421	7.1
211.14796	2.9
213.16347	16.7
215.17978	19.3
217.15947	3.5
217.19463	6.2
219.17410	10.1
220.17833	2.3
221.18947	4.9
223.14737	2.1
225.16377	4.9
227.17981	9.4
229.19501	9.3
229.30331	2.2
231.17409	20.8
233.18948	3.2
239.17879	4.6
241.19479	4.9
243.17366	2.1
243.21051	7.0
245.18987	5.3
249.18497	22.7
253.19466	3.9
255.21008	2.8
257.22562	3.9
259.20566	2.1
267.20911	2.6
269.22522	3.9
271.20450	3.0
271.24414	1.8
273.22174	3.1
281.22693	4.1
283.20471	1.9
285.22098	5.0
297.22147	2.4
299.23666	5.1
311.53818	1.7
315.23022	2.5
379.42697	1.8
393.31088	2.5
393.35464	10.9
399.32617	3.0
403.33499	6.6
411.28671	3.9
411.36270	5.1
421.34833	46.7
422.34900	5.1
427.35800	3.2
439.36017	41.3
440.35907	2.9
457.37347	59.6
458.37439	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	457.367
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
50.06461	2.3
55.05509	12.0
57.07066	7.0
67.05492	18.9
69.07052	24.4
71.08637	3.5
71.62807	2.5
71.63192	3.9
79.05489	11.0
81.07054	38.9
83.08629	10.8
85.06570	4.2
91.05485	11.1
93.07026	37.7
93.07525	3.2
95.04977	4.9
95.08595	84.5
95.94097	2.5
97.06560	4.5
97.10176	6.0
99.65185	2.7
104.86274	2.5
105.07023	30.9
107.08582	54.9
107.09267	3.2
109.06523	6.3
109.10146	50.5
111.08088	2.9
111.11752	4.6
114.81069	3.0
117.07031	2.5
119.08568	57.4
121.10132	48.5
123.08104	4.5
123.11678	26.2
125.09669	4.2
131.08607	8.0
133.10132	40.9
135.08075	3.5
135.11664	36.3
135.12527	3.1
137.09567	2.6
137.13271	7.4
143.08594	2.9
145.10078	16.2
147.11682	34.4
149.13251	20.9
151.11258	3.1
153.09103	6.3
157.10141	5.4
159.11690	15.0
161.13260	26.3
163.14807	28.7
165.12685	2.6
171.11780	4.8
173.13309	7.1
175.14813	24.0
177.16365	37.2
179.10744	3.0
183.11807	3.0
187.14818	12.4
189.16365	75.2
190.16823	4.3
191.17923	55.0
191.19574	3.5
193.12408	3.5
199.14832	4.8
199.67902	3.4
201.16371	19.1
203.14366	3.4
203.17938	67.8
205.19614	8.0
207.17509	11.2
213.16490	3.8
215.18050	9.2
217.15945	9.1
217.19577	8.6
219.17407	84.9
221.19196	4.7
229.19643	5.0
231.17574	4.2
231.21124	8.9
233.19171	4.4
235.17000	9.5
247.17087	4.5
249.18521	21.6
253.38533	3.3
269.22781	4.5
315.18222	4.7
393.35300	5.1
411.36270	35.1
421.35059	5.3
439.35989	37.7
457.36920	100.0
457.43060	5.5
458.37192	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3667
Annotation	Bacosine
Peak:m/z	Relative Intensity
50.40289	0.7
55.05497	9.2
57.03424	0.7
57.07067	4.5
67.05489	17.3
69.07055	13.5
71.08614	0.7
77.03893	0.7
79.05477	9.0
81.07040	39.8
83.08607	9.5
91.05453	7.6
93.06453	1.3
93.07025	22.6
95.04955	1.5
95.08587	77.5
97.06515	1.8
97.10145	4.9
105.07008	16.9
105.07667	1.4
107.08570	41.2
109.06487	1.6
109.10132	41.5
110.10546	0.7
111.08083	2.2
111.11685	1.2
117.06985	1.5
119.08553	42.1
120.08878	1.6
121.06528	0.8
121.10117	36.2
122.10443	1.2
123.08051	1.5
123.11678	21.3
123.12566	1.4
125.05998	1.3
125.09628	1.2
131.08539	5.7
131.09189	0.6
133.10107	27.0
135.11662	31.6
137.06006	0.7
137.09660	1.0
137.13223	14.8
139.07535	1.7
139.11165	1.6
140.94464	0.6
143.08554	1.9
145.10094	9.7
146.10588	0.7
147.11659	25.4
148.12015	0.8
149.13222	16.7
149.14326	1.7
151.07527	1.2
151.11176	1.6
151.14804	1.4
153.09073	6.6
157.10139	2.6
159.11650	7.9
160.69653	0.8
161.09605	1.6
161.13225	15.9
162.13699	0.8
163.11284	0.8
163.14789	21.9
165.09065	1.5
165.12784	1.2
167.10719	2.7
171.11661	2.6
173.13223	6.6
174.13893	1.0
175.11212	0.7
175.14792	14.3
177.09087	0.9
177.16348	13.2
179.10590	1.8
179.14322	1.4
179.17863	5.5
183.11673	1.0
185.13255	2.5
187.14774	10.2
189.16341	66.2
190.16739	2.3
191.17906	58.1
192.18288	1.4
193.12253	2.0
193.15823	1.4
193.19513	0.9
199.14828	2.0
201.16339	12.7
202.16609	0.9
203.17914	60.6
204.18269	2.0
205.19469	7.4
207.13824	1.5
207.17390	5.2
209.15462	1.0
213.16333	5.1
214.17250	1.0
215.17912	15.4
217.12259	2.0
217.15892	2.0
217.19466	11.1
219.13831	0.9
219.17415	1.3
219.21077	1.3
221.15361	2.3
221.18878	5.0
227.17850	1.7
229.19411	3.4
231.17430	1.7
231.21033	9.1
233.19083	1.3
235.16887	10.7
235.31711	0.7
243.21173	2.5
245.22635	2.2
247.16833	5.4
249.18449	20.7
255.21080	1.6
257.22446	3.5
259.16907	5.0
261.18445	9.9
263.20166	1.3
269.22610	0.9
271.24222	2.8
275.20111	2.2
277.21619	1.0
283.24094	0.8
289.21936	1.2
297.25687	0.9
301.21570	0.8
315.23175	1.7
317.25174	0.7
329.24634	0.9
393.30588	1.1
393.35114	10.0
394.35413	0.8
411.36200	36.5
412.36731	1.7
421.30655	0.9
421.35373	0.9
439.35785	39.4
440.36255	1.5
457.36786	100.0
458.37015	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3667
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
53.39909	1.4
55.05499	4.7
57.22853	1.7
67.05495	8.3
69.07059	6.6
69.66826	11.3
74.11483	1.4
79.05473	5.1
81.07041	20.7
81.46793	1.3
83.08604	2.6
91.05458	5.8
93.07022	17.1
95.08588	50.4
96.26304	1.3
97.10173	1.9
98.20770	3.1
101.26186	1.3
105.07005	11.2
106.75948	1.3
107.08575	33.8
109.10146	21.8
115.00689	1.4
119.08565	18.6
121.10116	26.7
123.11681	7.3
126.02194	1.6
131.08549	2.2
133.10101	14.8
135.11664	15.9
137.13216	3.2
145.10130	4.2
147.11638	12.5
149.13229	11.4
157.45369	1.5
159.11656	3.7
161.13220	8.6
161.14400	1.5
163.14795	32.3
165.09158	1.5
173.13353	3.0
175.14825	7.5
177.16360	9.9
179.14240	4.1
187.14728	3.2
189.16333	18.6
191.17903	18.8
201.16429	4.1
203.17937	24.4
205.19533	6.2
207.17407	3.8
215.18015	2.0
217.19475	5.4
221.18996	3.9
229.19453	2.4
231.21109	6.9
233.18869	2.0
249.18471	2.9
281.62582	1.8
297.25757	6.6
315.26852	2.4
393.35028	6.6
411.36145	100.0
412.36496	7.8
439.35834	9.7
457.37082	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	457.3671
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03934	0.8
55.05510	3.5
57.03425	0.8
57.07057	1.7
59.04977	0.5
65.03918	0.6
66.77188	0.4
67.05499	6.7
68.05770	0.4
69.03420	1.0
69.07059	6.3
69.60339	1.7
69.60771	1.9
70.07410	0.5
71.04986	1.0
79.05481	4.1
81.07046	13.6
83.04971	1.7
83.08611	4.0
85.06526	1.4
90.29840	0.4
91.05466	4.7
93.07029	10.3
95.04942	1.8
95.08594	21.0
97.06504	1.7
97.10147	1.9
98.21523	0.9
99.08067	1.4
100.09015	0.4
105.07021	12.1
107.05016	0.5
107.08585	17.2
108.08862	0.6
109.06503	2.1
109.07155	0.4
109.10143	12.9
111.08067	1.2
113.09647	0.9
117.06976	1.2
119.08570	16.5
120.08864	0.5
121.06470	1.3
121.09297	0.9
121.10131	14.1
123.08044	1.7
123.11691	8.1
125.05995	0.7
125.09596	1.6
127.11188	0.5
129.06992	1.0
131.08556	4.9
133.06381	0.5
133.10114	14.8
134.10469	0.6
135.08032	3.2
135.10664	0.8
135.11667	12.7
137.09563	1.1
137.13261	2.4
139.07532	0.6
139.11151	1.0
142.07762	0.7
143.08551	2.9
145.10100	8.1
147.08040	1.2
147.11670	9.3
148.11984	0.6
149.09612	4.7
149.13237	5.1
151.11147	1.2
153.09038	0.6
155.08493	1.1
156.09360	0.8
157.10123	3.6
158.10765	0.8
159.08035	1.1
159.11681	6.6
161.09586	3.0
161.13237	6.9
162.13641	0.4
163.11171	2.2
163.14806	3.7
165.09088	0.8
165.12750	1.1
169.10085	1.7
170.10817	0.6
171.11705	2.9
173.09555	1.6
173.13252	5.5
174.13762	0.5
175.11182	2.3
175.14801	4.7
177.09055	0.8
177.12706	1.4
177.16403	3.5
179.08408	0.5
179.10637	0.7
179.14282	1.1
181.10220	0.5
183.11656	1.5
185.09601	0.6
185.13258	2.5
187.11104	0.8
187.14781	5.7
189.12701	1.8
189.16360	10.1
190.16788	0.7
191.14320	2.4
191.17911	5.3
193.15891	1.0
197.13190	1.8
199.14743	2.1
201.12706	2.4
201.16370	4.3
202.16805	0.6
203.14217	2.4
203.17926	5.9
205.15900	0.8
205.19540	0.9
207.17369	1.5
209.13315	0.5
211.14790	1.5
212.79765	0.5
213.16310	1.7
215.14323	1.1
215.17931	2.3
217.15794	2.0
217.19444	1.0
219.13753	1.5
219.17459	1.1
220.14186	0.6
221.15323	1.1
221.18958	0.5
223.14769	0.7
225.16295	0.7
227.17923	1.3
229.15877	1.4
229.19533	1.1
231.13788	0.6
231.17438	2.0
231.20966	0.9
235.14877	0.7
235.16953	4.1
239.17955	1.1
241.19470	1.4
243.21162	0.5
247.16812	0.6
249.18443	1.7
253.19449	0.8
257.18823	0.5
257.22678	0.7
259.16891	0.5
259.20642	0.5
261.18561	0.6
267.21106	1.1
271.20450	0.6
273.22116	0.7
275.20041	0.6
281.22733	0.7
283.20441	0.7
285.22031	1.1
301.21509	0.8
303.23148	1.5
393.27298	0.6
393.31427	0.9
403.29813	0.5
411.32101	1.7
411.36304	1.7
421.30765	1.4
421.35172	1.0
423.27402	0.6
439.30649	3.5
439.35840	3.4
440.32376	0.6
457.37015	100.0
458.37375	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.05502	8.0
57.03428	1.8
58.76550	1.6
64.85076	1.3
67.05489	15.1
69.03398	1.7
69.06747	1.6
69.07064	13.4
69.40669	9.3
69.41095	7.5
71.04959	1.9
72.63364	1.7
79.05497	10.1
80.52850	1.5
81.07042	33.2
81.47682	1.5
83.04959	7.1
83.08594	6.0
91.05458	14.8
93.07028	29.7
95.04960	3.9
95.08591	61.6
95.38264	1.5
97.06522	2.4
97.10132	4.6
105.07011	34.6
106.07306	2.3
107.08579	44.0
107.87936	1.6
109.06478	4.5
109.10135	24.1
111.04407	3.4
113.05936	2.0
115.05460	2.4
116.29809	1.5
117.07005	6.8
119.08565	98.5
121.06502	4.6
121.09301	3.5
121.10129	39.6
123.08052	5.1
123.10912	1.7
123.11665	10.0
128.06172	2.8
129.07001	5.0
130.07764	3.5
131.08559	16.7
133.06456	5.4
133.10109	26.7
135.08026	6.0
135.11664	13.2
137.05943	2.8
137.09541	3.3
137.13382	1.9
141.06924	5.2
142.07736	4.8
143.08528	14.5
144.09290	5.2
145.10101	43.7
147.08025	3.2
147.11679	20.3
149.09612	3.6
149.13225	23.0
151.07535	5.1
155.08557	4.8
156.09328	66.9
157.10141	11.5
159.08061	3.5
159.11664	40.4
161.09622	7.9
161.13242	26.8
163.07532	2.2
163.11143	2.8
163.13559	2.8
163.14803	28.7
165.09109	1.9
169.10080	2.4
170.10881	3.9
171.11665	100.0
172.12042	2.3
173.09579	6.2
173.13254	15.4
175.11162	6.1
175.14810	23.6
177.12791	4.3
177.16359	45.7
179.14259	1.8
179.17937	3.8
180.09375	1.9
183.11659	3.6
185.09607	2.9
185.13191	8.0
186.10271	1.7
187.11160	3.8
187.14807	12.2
189.12715	28.3
189.16354	28.4
191.14174	2.4
191.17897	30.2
192.18210	2.9
192.57201	2.1
197.13206	3.7
199.11143	2.9
199.14777	6.5
201.12712	7.8
201.16360	4.8
203.14253	6.2
203.17926	9.3
205.12146	3.2
205.19591	1.6
207.12056	1.7
207.13731	8.8
209.13177	2.2
211.14757	2.0
213.12767	4.2
213.16295	3.3
215.14330	3.2
215.17847	2.2
217.15860	2.9
217.19493	4.1
219.13806	3.3
219.17581	2.0
227.17934	2.8
229.15768	2.6
231.13779	9.6
233.15291	2.4
245.15421	4.0
249.14772	12.0
261.14868	2.5
263.16336	2.1
265.14322	5.5
267.15884	5.8
267.21042	2.1
279.15906	3.8
281.17432	4.2
343.22543	3.9
361.23456	9.7
393.31305	2.0
403.29874	4.7
409.30762	4.5
411.32797	3.4
421.30939	9.9
439.32001	19.3
457.33063	58.4
458.33606	3.5
462.46439	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07128	1.8
53.03933	3.3
54.70748	1.9
55.05498	14.0
57.07043	3.2
67.05492	25.2
69.03413	9.2
69.07054	21.4
70.15885	7.1
71.01329	2.6
71.04958	2.3
76.34650	1.9
79.05476	20.9
81.07043	53.0
83.04958	17.4
83.08606	13.3
85.06511	2.2
87.04449	2.4
91.05469	19.9
93.07026	43.7
95.04958	10.8
95.08591	74.9
97.06541	3.9
97.10136	7.6
99.04432	2.2
105.07013	60.4
107.08579	61.6
109.06509	7.4
109.10145	46.6
111.04414	22.7
111.08066	4.0
113.05999	4.1
117.06998	8.8
119.08559	72.5
121.06496	11.9
121.10122	100.0
121.91086	2.1
122.10399	2.3
123.08059	9.1
123.11698	31.0
125.05935	3.1
128.06192	2.9
129.05469	4.6
129.06975	7.2
131.08548	20.9
133.10104	38.3
135.08040	18.8
135.11682	16.9
137.05943	6.1
137.09587	3.1
142.07753	4.2
143.08514	16.9
144.09303	5.1
145.10091	38.8
146.06113	2.1
147.08014	6.8
147.11659	36.5
149.05946	2.3
149.09608	10.9
149.13240	34.3
151.07550	7.8
151.11102	2.1
155.08578	6.0
156.09331	7.8
157.10138	22.3
159.08028	6.0
159.11667	30.7
161.09581	15.9
161.13222	21.1
163.07521	6.9
163.11143	3.7
163.14787	38.4
165.09160	3.5
165.12663	2.5
167.07047	2.4
169.10184	5.3
170.10843	9.9
171.11664	21.2
173.09615	6.1
173.13216	26.9
175.07480	3.4
175.11227	11.0
175.14795	36.0
177.08983	2.1
177.12753	6.1
177.16359	47.4
177.17821	3.9
179.17937	26.7
181.08585	5.2
181.10091	3.5
182.10915	2.2
183.11678	7.4
183.41893	2.1
185.09599	2.8
185.13228	18.2
187.11139	9.2
187.14803	27.8
189.12770	12.3
189.16368	27.5
191.14261	12.0
191.17918	38.6
193.15778	2.4
197.13226	5.8
198.10278	2.4
199.11163	5.4
199.14801	7.9
201.09068	2.4
201.12701	19.0
201.16388	8.3
203.10541	2.6
203.14337	17.7
203.17912	14.1
204.14622	2.1
205.12207	15.4
205.15846	8.1
207.17392	3.1
209.13275	2.5
211.14772	3.1
213.12761	11.3
213.16367	6.5
215.14258	8.0
215.17921	4.6
217.12239	5.8
217.15799	5.1
217.19466	3.8
219.13759	16.3
221.15266	3.4
223.14957	2.5
225.16203	2.3
227.17970	3.7
229.15924	3.6
229.19432	2.9
231.13747	27.8
233.15308	6.6
238.13837	2.1
243.13867	3.2
245.15480	4.5
247.17065	3.0
249.14792	92.1
250.15147	3.4
255.21056	2.7
261.14828	6.2
265.14420	4.8
267.15900	5.6
279.15805	17.0
279.20792	3.3
309.25632	6.6
325.21597	6.4
343.22430	3.1
346.67389	2.2
361.23605	7.9
391.29797	4.4
403.29974	6.8
409.30768	4.4
421.30865	28.3
427.31940	8.0
439.31760	26.7
440.32553	3.6
457.33090	58.8
458.33734	3.7
477.32446	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
54.27111	0.6
55.02698	0.6
55.05497	8.7
56.81909	0.6
57.03427	1.3
57.07062	1.7
58.56440	0.6
59.04986	0.6
63.78922	0.6
65.03923	1.2
67.05489	9.6
69.03410	2.5
69.06712	0.8
69.07057	11.3
71.01335	0.7
71.04995	1.3
79.05479	11.8
81.07041	32.2
83.04967	5.5
83.08597	3.2
91.05468	13.3
93.07029	29.7
93.07616	1.5
95.04935	3.4
95.08592	36.4
97.06503	1.9
97.10151	2.2
99.04430	1.1
103.05398	0.9
105.07014	41.9
107.04910	0.7
107.08575	41.3
108.08862	0.6
109.06498	6.1
109.09435	1.2
109.10136	13.4
109.77442	0.6
111.04424	2.9
111.08038	1.4
115.05421	0.9
117.07002	7.1
117.35921	0.6
119.08561	46.6
120.08940	1.0
121.06503	5.8
121.10122	36.9
122.10507	0.6
123.08054	4.1
123.11700	4.1
125.05978	1.4
125.09598	1.4
128.06187	2.1
129.07001	4.5
130.07767	2.9
130.16379	0.7
131.08546	22.7
133.06485	1.9
133.10107	29.0
135.08034	7.4
135.11670	15.4
137.09599	3.0
137.13269	1.5
139.07539	0.7
141.06967	2.1
142.07773	3.3
143.08537	15.3
144.09306	2.8
145.10100	49.4
146.10573	1.1
147.08014	3.7
147.11665	18.0
149.09573	4.7
149.13226	12.7
151.07539	1.2
151.11099	0.8
155.08548	4.6
156.09314	5.5
157.10098	18.5
158.10896	3.0
159.08089	3.1
159.11664	29.0
161.09581	6.1
161.13222	17.1
163.07523	1.2
163.11174	2.6
163.14796	15.1
165.09099	3.4
165.12762	0.8
167.08624	0.8
168.09277	0.8
169.08694	1.0
169.10065	5.3
170.10912	4.5
171.11668	15.4
172.08798	0.8
172.12398	1.9
173.09656	4.8
173.13237	27.9
174.10309	0.9
174.13615	0.7
175.11186	6.6
175.14790	24.7
177.09186	0.8
177.12766	2.5
177.16360	65.7
178.16664	1.6
179.14333	1.2
181.10089	2.3
182.10913	1.1
183.11667	6.1
184.12376	1.8
185.09650	1.3
185.13234	27.0
186.10371	0.7
186.13870	1.1
187.11288	3.0
187.14793	39.1
188.15195	1.3
189.08990	0.7
189.12698	8.1
189.16345	14.8
191.14249	7.9
191.17885	1.2
193.15855	3.6
195.11565	3.0
196.12396	1.5
197.13246	6.5
199.14798	14.5
201.12738	5.7
201.16354	24.2
201.18222	1.4
203.14291	39.9
203.17867	7.3
204.14896	0.6
205.12274	1.0
205.15797	6.0
207.11775	1.0
207.13721	1.0
209.13255	2.3
210.14236	0.8
211.14775	4.5
212.15694	0.9
213.12753	2.4
213.16360	6.6
215.14330	6.7
215.17928	5.3
217.12149	0.7
217.15804	5.7
219.13722	5.0
219.17363	1.3
221.13313	1.4
221.15273	5.4
223.14825	0.9
225.12788	1.1
225.16405	2.1
227.14302	2.3
227.17905	6.5
229.15933	3.9
229.19441	2.2
231.13759	2.6
231.17479	0.9
233.13188	0.9
233.15291	4.9
235.16832	1.4
237.16522	0.9
239.14307	0.9
239.18002	1.4
241.15804	0.9
241.19508	1.6
243.17433	1.0
245.15335	3.1
247.16898	2.5
249.14732	4.9
251.16132	1.2
253.19562	2.0
255.17194	0.9
255.21036	2.4
263.16180	3.1
267.15756	8.2
267.20895	0.9
271.16843	0.9
281.17270	1.5
281.22366	0.9
291.20749	0.7
319.24210	1.2
321.25632	0.8
327.23444	0.7
373.28961	1.2
375.30368	1.7
385.28949	2.0
391.30026	4.9
393.31427	2.0
403.29929	8.7
409.31055	3.9
421.30960	17.6
439.31985	18.4
440.32269	1.0
457.33081	100.0
458.33420	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	457.3302
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
52.02458	1.4
53.03931	2.5
55.01852	1.9
55.05499	12.5
57.07049	4.8
59.04982	2.3
59.83647	1.2
62.82638	1.5
63.43611	1.3
65.03942	1.3
66.30617	1.5
67.05490	22.7
69.03401	1.8
69.06770	1.2
69.07059	15.7
69.58346	4.8
69.58768	6.6
70.06580	1.7
71.04961	8.2
77.03886	1.7
79.05474	21.9
81.07040	56.7
83.08591	6.7
85.06528	24.2
91.05459	23.0
93.07023	51.3
95.04950	5.9
95.08588	100.0
96.08860	1.5
97.06496	5.0
97.10133	3.5
98.20786	2.1
99.08056	2.0
103.05434	1.9
105.04479	1.9
105.07008	85.5
107.08574	70.8
109.06499	4.2
109.10133	40.7
111.08054	6.5
113.05943	1.8
113.09621	28.8
115.05453	1.8
117.07004	15.0
119.08556	75.7
121.06479	3.3
121.10122	45.5
123.08015	4.0
123.11680	14.5
125.09570	1.8
128.06192	3.1
129.06966	7.5
130.07767	2.1
131.08548	50.7
133.10100	77.6
135.08011	1.9
135.10681	1.7
135.11667	28.1
137.09613	1.9
137.13211	5.7
141.06938	2.0
142.07762	4.3
143.08528	20.3
144.09239	3.7
145.10094	74.1
146.10657	1.9
147.07973	5.1
147.11656	64.5
149.06006	2.0
149.09593	5.6
149.13234	29.9
151.11151	1.9
155.08510	5.4
156.09372	3.9
157.10081	25.4
158.10849	2.4
159.08028	2.1
159.11658	56.6
160.12056	2.2
161.09578	6.6
161.13235	53.9
163.11108	7.7
163.14813	16.1
165.12689	2.2
169.10120	7.6
170.10815	3.1
171.11642	22.9
173.09561	1.9
173.13237	33.8
175.11160	6.9
175.14790	38.6
177.09158	2.0
177.12717	4.7
177.16304	8.7
179.14230	2.7
183.11642	6.8
185.13217	21.0
186.13875	1.6
187.11189	2.0
187.14780	54.0
189.12743	6.9
189.16344	35.0
191.10625	5.7
191.14227	6.1
191.17918	5.0
193.12196	2.5
193.15813	4.4
195.11705	2.2
197.13260	7.1
199.14796	19.1
201.12631	3.6
201.16368	21.8
203.14233	5.0
203.17897	8.2
205.12270	2.4
205.15826	15.4
207.14043	1.7
207.17395	23.9
209.11617	3.8
211.14780	4.1
213.12694	3.8
213.16319	4.9
215.14249	5.4
215.17863	13.0
217.12193	5.3
217.15823	9.3
217.19310	2.4
219.13979	7.1
219.17387	20.7
221.18922	4.9
223.14929	2.2
225.16345	5.3
227.17847	1.8
229.19438	2.9
231.13774	6.5
231.17235	2.4
233.15353	15.8
233.18840	10.8
235.17036	1.8
237.14685	2.8
239.17966	2.4
241.19467	2.6
245.15335	6.7
247.16905	3.5
247.20535	3.7
253.19553	3.4
257.18991	2.0
263.16336	3.7
267.21265	2.0
273.22104	1.5
281.22565	2.0
327.22891	2.5
375.30466	4.8
393.31436	43.9
394.31818	1.9
395.32928	6.4
403.29871	3.7
411.32401	54.7
412.32849	3.0
413.34198	1.6
421.30804	24.2
422.30853	2.0
439.31851	38.1
440.32263	3.0
457.32672	39.0
458.32745	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3304
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
53.03935	3.0
53.34615	2.5
54.50992	2.3
54.66560	2.2
54.88567	2.6
55.05501	13.2
55.07275	2.5
57.07062	5.5
59.59975	2.3
63.52729	1.9
67.05492	19.5
69.03410	3.7
69.07059	18.5
69.99294	5.2
69.99708	9.2
71.04993	4.1
73.95689	2.4
79.05486	10.1
81.07047	30.6
83.08604	10.5
85.06532	8.5
91.05468	10.8
93.07013	27.0
95.08585	54.5
97.06509	3.8
104.16747	2.3
105.07020	29.0
107.08569	48.6
109.10146	39.1
111.08058	5.2
117.07022	4.8
119.08555	52.0
121.10112	50.6
123.08020	3.8
123.11695	15.0
129.06985	3.3
131.08556	35.3
133.10112	26.6
135.11670	24.5
137.09561	2.6
137.13213	10.8
139.07510	3.4
143.08556	7.6
145.10106	34.4
147.11661	24.1
149.09633	4.2
149.13240	16.0
151.14844	3.8
153.09071	5.0
157.10130	14.3
159.11650	19.5
161.13278	12.0
163.14775	21.6
167.10658	6.0
169.10152	2.4
171.11624	6.1
173.13237	18.1
175.14828	17.2
177.16324	11.5
183.11633	3.2
185.13249	9.3
187.14787	66.4
189.16325	21.4
191.17906	12.3
193.15973	3.0
199.14830	6.6
201.16342	35.7
203.17952	16.9
205.19511	2.6
209.13235	2.7
209.15390	4.5
211.14676	3.0
213.16382	6.3
215.14326	2.5
215.17957	11.2
219.17500	7.2
221.15430	2.6
221.19199	2.6
223.16885	4.5
223.44972	2.5
224.47331	2.5
225.16370	3.8
227.08809	2.3
227.17911	7.6
229.19516	12.3
231.17424	4.1
235.16878	6.4
237.18530	3.7
241.19525	4.9
243.21004	4.3
247.16879	6.4
249.18575	6.5
255.21016	8.3
263.20129	4.1
275.20120	3.8
287.19891	3.2
297.85489	2.5
315.23386	2.5
351.30447	6.0
375.30292	4.6
393.31418	31.5
397.30783	9.2
411.32449	100.0
412.32761	3.3
421.30511	5.6
439.31302	6.7
439.35925	8.7
457.32242	10.9
457.36844	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	457.2941
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
53.03928	4.0
55.05509	20.4
57.03422	3.2
57.07061	4.2
59.04977	5.2
67.05495	29.8
67.87285	3.2
69.07053	33.3
69.43674	32.0
71.04976	6.1
79.05486	26.1
81.07038	71.4
81.11553	3.7
83.04950	5.3
83.08598	10.0
85.06514	7.8
91.05466	28.1
93.07028	50.5
95.04942	8.1
95.08591	83.0
97.06495	9.5
97.10142	6.6
98.20682	3.8
99.04418	4.2
99.08075	3.5
105.07007	68.2
105.07668	5.5
106.07353	3.5
107.08575	77.9
109.06522	28.1
109.09371	3.4
109.10140	72.5
111.08050	8.3
111.11674	3.4
113.05952	4.5
117.07030	13.9
119.08558	97.1
121.06497	9.3
121.10116	69.3
123.08040	14.4
123.11658	22.1
125.09615	6.2
127.07533	9.0
128.06219	5.4
129.06973	11.9
131.08546	54.5
133.10109	50.8
135.08046	6.3
135.11684	37.0
137.09592	9.3
137.13220	7.5
139.07564	5.0
139.11150	4.7
141.07065	4.3
142.07770	5.3
143.08540	39.1
144.09261	4.1
145.10109	78.6
147.08015	4.9
147.11670	44.1
149.09608	10.1
149.13222	22.9
153.09111	6.0
155.08527	12.2
156.09335	8.0
157.10103	39.1
158.10759	3.8
159.08073	3.6
159.11674	41.3
161.09619	11.4
161.13239	42.5
163.11131	9.2
163.14798	14.7
165.09172	4.3
165.12694	8.4
165.92082	3.4
167.08589	3.8
167.10567	4.5
169.10054	17.6
170.10861	11.7
171.11647	33.7
173.13226	37.5
175.11179	8.0
175.14777	24.4
177.08983	5.1
177.12769	7.4
177.16377	15.7
179.10730	4.9
179.14319	5.9
181.10103	10.1
182.10905	3.7
183.11664	30.3
184.07309	5.4
185.09666	4.1
185.13232	70.6
187.11182	5.6
187.14787	100.0
189.12752	9.5
189.16394	21.7
191.10611	4.6
191.14230	7.3
191.17943	12.1
195.11688	12.6
195.13792	11.2
197.13159	21.5
199.14790	35.5
201.12712	3.8
201.16364	26.7
203.10994	4.3
203.14296	16.0
203.17961	16.3
205.12218	6.5
205.15913	8.0
207.11644	4.1
207.13782	8.0
207.17326	5.6
209.13293	9.0
211.14798	13.2
213.12787	5.5
213.16389	20.1
213.18169	3.8
215.17966	8.2
217.12294	4.7
217.15948	6.6
219.13852	5.9
221.13254	4.9
221.15315	7.7
223.14809	8.5
225.16353	15.5
227.10553	4.4
227.18004	8.2
229.19402	3.9
231.13881	7.9
233.15282	4.9
237.16371	8.7
239.17926	9.5
245.15332	8.2
247.16930	4.5
251.17963	6.3
253.19406	6.2
255.17479	4.0
257.15237	5.0
263.17838	3.9
265.19458	4.4
273.18298	3.3
279.21091	6.8
283.16919	8.4
285.18436	12.7
295.20541	3.2
297.18500	6.1
321.25714	5.3
325.21548	4.4
349.25040	9.8
351.26776	9.3
367.26080	16.9
375.26712	15.4
377.24716	5.6
393.27689	73.7
395.25143	7.5
395.29846	16.5
403.26331	10.4
411.28500	7.6
413.10077	26.1
414.10486	4.8
421.26465	18.0
439.27344	38.4
457.12732	48.2
457.33115	25.1
458.12833	4.5
475.05371	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	10.3
57.03442	2.4
57.07069	3.1
66.47025	2.2
67.05490	20.5
69.03418	3.4
69.07053	12.6
71.04989	3.4
71.62866	4.0
71.69849	2.2
79.05467	15.6
81.07047	38.5
83.04958	4.0
83.08596	4.2
85.06512	3.4
91.05468	15.2
93.07031	26.2
95.04971	5.3
95.08593	49.3
97.06528	6.3
99.08097	2.5
105.07011	38.5
107.08578	36.7
109.06502	100.0
109.10133	28.0
111.08080	7.6
111.11713	2.5
113.09634	4.3
117.07009	7.4
119.08561	57.9
121.06512	4.2
121.10133	34.8
123.08042	8.2
123.11721	15.1
125.05966	2.7
125.09626	4.1
128.06206	3.0
129.06996	6.9
131.08533	25.4
133.10110	31.0
135.08038	3.6
135.11670	17.7
137.05969	6.3
137.09605	5.5
137.13231	5.2
139.03882	9.3
142.07802	3.7
143.08533	13.6
145.10100	40.1
147.11653	27.0
148.08623	2.4
149.09703	2.2
149.13220	13.0
151.07631	4.0
153.05457	21.9
155.07089	2.4
155.08493	4.6
156.09340	3.5
157.10095	19.0
159.08124	3.6
159.11667	27.7
161.09572	6.9
161.13235	20.6
163.11215	4.6
163.14798	9.7
165.09117	5.8
165.12662	3.6
169.10045	5.4
171.11684	11.5
172.12296	3.6
173.13251	22.3
174.62369	2.3
175.11163	6.8
175.14775	22.8
177.09114	2.5
177.12726	7.1
177.16367	9.5
179.10703	4.3
183.11650	7.9
185.13257	9.4
187.11177	4.3
187.14798	84.0
188.15201	2.3
189.12712	5.5
189.16357	20.8
191.10510	2.9
191.14301	5.1
191.17911	8.3
193.15952	2.8
195.10100	2.8
195.11731	6.6
197.13231	6.6
199.14810	9.0
201.12727	4.1
201.16356	18.2
203.14288	4.1
203.17918	12.4
205.12244	3.1
205.15898	7.6
207.11626	3.3
211.14835	6.7
213.16341	12.8
215.18007	8.7
217.19493	3.7
219.13794	3.4
219.17474	3.8
225.16411	5.1
227.17941	6.2
231.13594	2.8
231.17311	3.4
233.15273	3.5
235.16982	3.3
237.14813	6.5
239.17976	3.9
241.19429	3.3
245.15143	2.9
249.14659	4.4
249.18655	5.7
251.18028	3.1
255.13518	2.4
257.22696	3.4
271.16986	3.1
273.18774	2.7
288.27951	2.3
315.19617	6.3
321.25894	3.9
337.25174	2.9
349.29004	7.5
365.28519	8.3
367.26129	8.5
367.30093	7.5
375.26926	4.4
393.27664	12.8
411.28778	62.2
412.29297	3.7
413.30423	9.6
421.34772	5.7
429.30103	3.9
439.31833	8.3
457.28555	9.5
457.33862	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	457.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01847	3.2
55.05500	3.8
57.03140	0.7
57.03431	13.1
57.07050	2.2
58.03759	1.4
59.04983	1.3
61.02922	5.7
64.12586	0.6
67.05493	6.7
68.99762	0.9
69.03419	54.2
69.07059	7.4
70.03748	1.7
71.01321	1.5
71.04979	4.0
71.61922	1.2
73.02908	22.3
74.03231	4.5
76.32968	0.8
79.05483	4.7
81.03407	8.2
81.07043	8.7
83.04967	4.5
83.08591	2.5
85.02892	31.3
85.06536	4.7
86.03226	3.9
87.00820	6.2
87.04446	1.5
89.53843	0.7
91.03929	1.1
91.05444	6.0
93.07037	9.7
95.04975	3.3
95.08593	12.5
97.02277	1.4
97.02879	21.9
97.06509	3.7
97.10175	1.0
98.03204	3.6
99.04420	4.7
104.55325	0.9
105.01874	6.0
105.03362	1.2
105.07018	9.8
107.08578	17.5
109.02876	6.8
109.06511	5.9
109.10146	7.9
110.10403	1.2
111.04395	0.9
111.08054	4.0
113.02348	5.9
115.03909	12.6
115.05383	1.0
116.04237	3.4
117.01763	0.8
117.03318	1.5
117.06981	3.0
119.04893	1.3
119.08554	8.4
121.02831	1.2
121.06482	5.0
121.09303	1.1
121.10130	15.2
123.04401	2.1
123.08061	3.6
123.11702	4.5
125.05911	0.8
125.08743	1.3
125.09615	19.5
127.03896	14.4
127.11177	1.5
128.04222	1.7
128.11581	0.8
129.06966	1.1
131.04921	1.8
131.08557	7.9
133.04936	3.6
133.10118	11.2
134.05281	2.0
135.08037	12.8
135.11676	6.3
137.05862	0.8
137.09589	6.2
137.13174	0.7
139.03862	1.3
143.08533	3.2
144.06544	1.2
144.09279	0.7
145.02832	5.3
145.04947	9.6
145.06612	0.9
145.10110	5.2
146.05302	3.6
146.12491	0.9
147.04416	5.0
147.11664	10.6
149.05948	1.5
149.09601	10.9
149.13216	5.7
150.10384	1.7
151.11172	1.1
153.09087	5.1
158.10828	2.6
159.02861	2.4
159.08049	0.9
161.09586	4.8
161.10715	0.8
161.13292	0.7
163.03868	0.8
163.06003	2.2
163.07362	0.8
163.11160	2.7
163.14821	5.2
165.05540	0.9
165.09082	7.9
165.12727	3.0
171.11641	1.0
173.09558	1.2
173.13239	18.8
175.14824	1.3
176.11932	1.1
177.05423	10.3
180.08620	1.4
187.14824	0.9
189.09074	1.5
191.14278	100.0
192.14627	2.3
195.06578	1.1
199.05940	0.9
201.04517	0.9
201.16321	1.1
205.12256	0.9
209.15331	91.3
210.15691	2.7
219.05711	5.5
223.05994	0.8
224.06267	1.1
231.04977	1.6
235.05167	5.9
241.06966	1.7
256.51410	0.7
277.21494	1.5
289.16458	1.7
290.16684	3.2
295.08783	20.8
296.09204	1.2
309.13211	0.8
327.14215	1.1
378.56015	0.8
457.14969	6.8
457.20471	3.5
457.24155	5.2
457.32642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01847	3.2
55.05500	3.8
57.03140	0.7
57.03431	13.1
57.07050	2.2
58.03759	1.4
59.04983	1.3
61.02922	5.7
64.12586	0.6
67.05493	6.7
68.99762	0.9
69.03419	54.2
69.07059	7.4
70.03748	1.7
71.01321	1.5
71.04979	4.0
71.61922	1.2
73.02908	22.3
74.03231	4.5
76.32968	0.8
79.05483	4.7
81.03407	8.2
81.07043	8.7
83.04967	4.5
83.08591	2.5
85.02892	31.3
85.06536	4.7
86.03226	3.9
87.00820	6.2
87.04446	1.5
89.53843	0.7
91.03929	1.1
91.05444	6.0
93.07037	9.7
95.04975	3.3
95.08593	12.5
97.02277	1.4
97.02879	21.9
97.06509	3.7
97.10175	1.0
98.03204	3.6
99.04420	4.7
104.55325	0.9
105.01874	6.0
105.03362	1.2
105.07018	9.8
107.08578	17.5
109.02876	6.8
109.06511	5.9
109.10146	7.9
110.10403	1.2
111.04395	0.9
111.08054	4.0
113.02348	5.9
115.03909	12.6
115.05383	1.0
116.04237	3.4
117.01763	0.8
117.03318	1.5
117.06981	3.0
119.04893	1.3
119.08554	8.4
121.02831	1.2
121.06482	5.0
121.09303	1.1
121.10130	15.2
123.04401	2.1
123.08061	3.6
123.11702	4.5
125.05911	0.8
125.08743	1.3
125.09615	19.5
127.03896	14.4
127.11177	1.5
128.04222	1.7
128.11581	0.8
129.06966	1.1
131.04921	1.8
131.08557	7.9
133.04936	3.6
133.10118	11.2
134.05281	2.0
135.08037	12.8
135.11676	6.3
137.05862	0.8
137.09589	6.2
137.13174	0.7
139.03862	1.3
143.08533	3.2
144.06544	1.2
144.09279	0.7
145.02832	5.3
145.04947	9.6
145.06612	0.9
145.10110	5.2
146.05302	3.6
146.12491	0.9
147.04416	5.0
147.11664	10.6
149.05948	1.5
149.09601	10.9
149.13216	5.7
150.10384	1.7
151.11172	1.1
153.09087	5.1
158.10828	2.6
159.02861	2.4
159.08049	0.9
161.09586	4.8
161.10715	0.8
161.13292	0.7
163.03868	0.8
163.06003	2.2
163.07362	0.8
163.11160	2.7
163.14821	5.2
165.05540	0.9
165.09082	7.9
165.12727	3.0
171.11641	1.0
173.09558	1.2
173.13239	18.8
175.14824	1.3
176.11932	1.1
177.05423	10.3
180.08620	1.4
187.14824	0.9
189.09074	1.5
191.14278	100.0
192.14627	2.3
195.06578	1.1
199.05940	0.9
201.04517	0.9
201.16321	1.1
205.12256	0.9
209.15331	91.3
210.15691	2.7
219.05711	5.5
223.05994	0.8
224.06267	1.1
231.04977	1.6
235.05167	5.9
241.06966	1.7
256.51410	0.7
277.21494	1.5
289.16458	1.7
290.16684	3.2
295.08783	20.8
296.09204	1.2
309.13211	0.8
327.14215	1.1
378.56015	0.8
457.14969	6.8
457.20471	3.5
457.24155	5.2
457.32642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10160	0.8
51.32688	0.9
55.01858	2.7
55.05489	2.6
57.03417	4.2
67.05496	3.2
69.03426	11.0
69.07048	2.8
71.01324	3.0
71.04980	8.6
71.10704	2.5
71.65256	0.9
73.02898	1.0
79.05480	8.4
81.03391	3.4
81.07034	3.3
83.01332	1.1
83.04966	2.4
85.01074	0.8
85.02890	13.9
85.06526	2.3
87.04440	1.0
91.05471	16.5
93.07043	12.6
95.01331	5.6
95.04929	2.9
95.08582	4.0
97.02870	6.7
97.06542	1.1
99.04450	16.0
101.02382	1.2
103.03919	1.5
103.05430	2.4
105.07019	100.0
106.07323	1.7
107.04963	1.7
107.08571	9.6
109.02856	2.2
109.06490	4.3
109.10124	2.9
113.02336	2.3
115.05408	2.1
117.06996	3.4
119.04927	2.6
119.08556	11.1
121.02828	1.2
121.06477	3.5
121.10120	9.7
123.04403	1.9
123.08041	2.6
125.09610	1.9
127.03896	3.4
128.06184	4.2
129.07018	2.3
130.07747	1.1
131.03392	1.3
131.08557	6.9
133.06487	10.2
133.10112	83.9
134.10402	2.1
135.11676	3.0
137.09593	3.2
141.01775	6.8
141.06934	1.5
142.07761	1.3
143.07021	6.0
143.08545	9.6
145.06465	2.7
145.10112	9.0
146.06157	1.2
146.07251	3.9
147.04428	7.8
147.07996	3.9
147.11617	2.1
149.05930	1.1
149.09584	3.4
149.13025	1.1
151.07545	6.4
151.11154	3.5
155.08543	1.6
157.10150	1.7
159.08067	4.6
161.09601	94.4
162.09993	2.1
163.03893	1.2
163.11176	10.4
165.06963	1.5
165.09125	2.1
165.12706	6.4
169.10085	1.0
169.46181	1.1
171.07953	5.5
173.05896	1.2
173.08063	9.2
173.09622	3.4
173.13148	2.1
177.05466	2.6
178.07777	1.2
179.10587	9.0
181.10188	1.5
183.08051	2.4
187.07520	1.9
187.11195	1.2
189.09090	34.3
190.09428	1.8
191.14275	2.2
194.07376	1.0
199.07584	1.3
199.11131	1.7
201.09053	2.0
203.10686	1.3
207.10162	10.9
209.09587	2.3
209.15349	20.2
211.11134	3.0
213.09200	1.0
215.06979	1.3
216.07811	1.3
225.11275	1.5
227.10652	2.7
235.13223	3.5
235.69138	1.1
237.09059	2.0
239.10559	2.7
244.10901	2.3
245.08069	2.1
253.14331	20.4
255.10173	3.5
257.04388	1.8
257.11609	1.5
263.12772	15.8
267.10123	2.1
273.11172	3.3
281.13797	25.0
281.16730	1.9
283.09659	2.1
285.11270	1.4
291.08716	1.4
301.10599	4.7
302.10901	1.2
319.11722	4.5
329.09952	1.5
337.12738	8.3
347.11169	2.7
365.12274	8.3
393.15439	1.7
403.13654	1.6
410.21930	1.0
439.15491	1.2
457.10989	2.3
457.17120	6.2
457.23907	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	456.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26027	0.7
50.49464	0.7
53.03925	1.6
54.97201	0.8
55.01632	0.8
55.01865	6.6
55.05487	1.8
57.03428	14.7
57.07060	1.0
57.90249	0.8
59.04970	1.9
61.02636	1.0
61.02918	13.3
61.83487	0.7
62.03217	0.7
64.53276	0.9
67.05499	4.7
68.05833	0.8
69.03420	28.8
69.07062	1.9
69.83979	0.7
70.06551	0.7
70.78326	2.4
71.01333	3.7
71.04970	2.1
73.02909	63.8
75.92815	0.8
79.05482	2.6
81.03403	6.6
81.07027	3.5
82.07358	0.8
83.04964	1.1
83.08588	1.0
85.02893	100.0
85.06502	0.8
87.04467	4.5
89.98395	0.9
91.03924	4.1
91.05450	1.7
93.07021	2.4
95.04945	1.8
95.08584	3.5
96.08894	1.0
97.02879	53.8
97.06541	1.0
99.04438	4.5
103.03915	3.3
105.07031	1.9
107.08579	3.8
109.02872	9.2
109.10132	3.5
110.10386	0.7
111.04383	1.0
111.07970	0.9
115.03914	30.1
115.04736	1.5
119.05013	0.9
119.08550	2.9
121.06525	1.1
121.10130	2.0
123.04353	1.2
123.11658	1.4
125.09686	0.9
127.03900	30.0
131.08513	1.8
132.06577	0.8
133.04948	34.6
133.10124	1.3
135.11703	1.4
143.08527	1.0
145.04939	62.0
145.10085	1.3
147.04431	1.0
149.13243	1.0
150.07590	3.2
159.11667	1.5
161.09599	1.1
163.05991	24.9
163.07376	1.3
165.09071	2.0
173.11723	1.0
173.13121	1.3
182.46010	0.8
184.07436	0.8
199.05986	2.1
211.06206	1.0
217.06960	1.5
223.06047	5.2
224.38600	0.9
241.07027	6.4
259.08054	8.3
263.35910	1.0
277.09094	1.5
295.10129	1.8
307.21051	2.6
438.25369	1.0
438.31033	0.9
456.26584	2.9
457.26013	0.9
457.33047	1.2
460.44479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01862	2.6
55.05503	2.2
57.03427	49.1
57.07074	5.7
58.04649	1.0
59.04994	1.6
60.04515	1.2
61.02915	15.8
67.05485	1.2
69.03420	47.1
69.48438	10.3
71.01343	4.8
71.04983	1.9
73.02908	100.0
79.05484	1.7
81.03404	6.7
81.07043	3.3
83.04979	1.6
83.08624	1.2
84.04496	1.2
85.02892	79.1
87.04467	5.5
89.58367	0.9
91.03952	1.9
93.07035	2.7
94.29473	1.1
95.04974	1.7
95.08577	1.6
96.04440	1.4
97.02876	68.8
97.06522	2.5
98.06033	1.1
99.04443	3.8
103.03949	2.3
105.03429	1.2
105.07026	1.4
107.04917	1.2
107.08595	2.3
109.02857	5.0
109.10141	11.7
111.05890	1.0
114.05506	1.1
115.03911	67.4
119.08539	2.5
121.02822	1.0
121.10114	3.3
125.09596	2.8
126.05547	2.2
127.03901	25.3
127.11178	12.2
131.04926	1.5
131.08543	1.8
132.06609	1.9
133.04948	23.7
133.10107	1.4
135.08032	1.5
135.11659	1.1
137.09555	1.6
144.06538	10.0
145.04938	40.5
145.10062	1.5
145.12164	6.1
147.04395	3.1
147.11678	1.9
150.07562	6.3
150.69031	1.4
161.05894	1.2
161.09561	1.9
162.07639	6.4
163.05991	15.6
169.78935	1.1
173.13214	2.0
177.05447	3.9
180.08565	9.1
191.14258	9.7
193.04951	1.9
198.83076	1.1
208.09741	2.6
209.15355	12.5
215.87503	1.1
219.05685	3.9
223.05984	7.1
235.05133	1.7
241.06975	7.5
241.14227	1.4
259.07932	5.8
259.15314	2.3
271.15222	2.8
276.10690	2.0
289.16440	17.1
293.17181	7.8
294.11969	6.1
294.17505	17.7
295.08542	8.2
303.08676	1.7
307.17422	2.4
312.12698	4.1
456.22916	17.9
457.14139	3.2
457.20505	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	456.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01864	3.1
55.05500	1.4
57.03415	3.6
59.21650	1.2
61.02906	5.1
69.03418	42.5
69.07050	1.4
70.06577	4.3
70.60274	1.0
71.04984	4.4
71.62060	1.0
71.62531	1.5
73.02900	3.1
79.05470	1.2
81.03404	20.0
81.07058	1.4
83.04964	9.9
84.08112	1.8
85.02889	45.7
86.06030	1.5
87.04445	3.2
91.03960	1.5
91.05447	1.8
93.06992	1.1
95.01311	50.1
95.04951	2.0
97.02875	13.6
97.06513	2.8
98.97567	2.4
99.04436	8.1
103.03915	2.4
105.06986	1.1
109.02857	19.3
110.07133	3.8
111.04439	8.2
112.07602	1.5
112.33744	1.0
113.02347	100.0
113.05910	1.5
115.03974	1.1
115.07543	3.7
116.98592	1.6
119.04967	1.5
121.02840	2.6
121.06475	6.0
123.04409	2.6
127.03894	23.1
127.07507	1.6
129.05455	14.2
131.07034	1.5
133.02644	1.0
134.99593	1.5
135.04364	1.2
136.06160	1.5
137.06047	1.3
138.09074	1.6
140.07036	1.5
145.04953	4.5
147.04388	2.7
147.06520	7.2
155.03342	1.3
157.03494	1.1
158.08113	1.8
161.03061	1.1
163.03880	4.3
165.07564	10.3
167.07019	1.1
177.05441	3.5
183.08617	43.5
186.02876	1.1
191.00227	1.2
202.10719	1.6
221.04480	4.2
237.02699	1.3
239.05431	20.1
257.06519	36.7
273.09537	1.5
277.12943	2.0
278.62857	3.2
284.11404	1.3
337.94077	1.1
407.51291	1.4
456.12155	2.1
457.13019	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	456.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01858	7.4
56.56339	0.7
57.03421	19.2
57.04406	0.7
57.07058	3.4
59.04985	2.3
60.04493	1.0
61.02912	17.3
67.05479	1.8
69.03409	30.9
71.01348	5.1
71.04974	2.6
73.02898	100.0
81.03394	5.8
83.08583	1.1
84.04444	0.7
85.02882	79.6
85.10164	1.2
86.03227	1.4
87.04421	4.1
91.03929	4.3
91.05450	1.0
93.07047	1.4
96.04455	1.0
97.02866	57.5
97.19857	0.6
98.06046	0.6
98.21433	1.6
99.04420	4.5
100.07623	0.7
103.03920	3.7
105.07002	5.5
106.41731	0.8
109.02853	6.5
109.10126	9.2
114.05470	0.9
115.03898	36.7
119.04939	1.4
126.05487	0.9
127.03885	29.7
127.11141	8.7
132.06561	1.4
133.04929	49.8
133.10080	4.7
144.06514	5.0
145.04919	46.6
145.12254	3.4
147.04410	3.0
150.07536	6.6
156.06567	1.6
161.09612	3.6
162.07617	5.0
163.03938	1.1
163.05972	18.2
169.04912	1.2
170.10712	0.9
177.05502	3.3
180.08621	5.0
189.09125	1.2
193.05028	1.4
199.06000	2.2
208.09746	1.0
211.06070	0.9
217.07172	2.3
220.65880	0.8
223.05901	5.9
241.07024	8.8
241.14441	2.1
241.46251	1.0
251.74675	0.8
259.08035	12.0
259.15326	5.4
271.15436	0.9
276.10788	3.1
277.09140	3.8
281.13858	1.5
289.16385	5.6
294.11801	3.6
295.10226	5.5
304.58368	0.9
307.17587	1.2
312.12875	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	455.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
54.13366	1.2
55.01866	2.8
55.05503	10.3
57.03424	1.9
57.07044	2.6
59.04999	1.5
65.03914	2.0
67.05494	26.5
69.03407	5.2
69.07055	14.9
71.04971	4.7
71.63155	2.4
72.45241	1.2
79.05050	1.5
79.05485	17.2
81.03403	2.7
81.07043	36.3
82.07372	2.7
83.04963	3.9
83.08617	7.6
85.02885	2.0
85.06508	3.7
91.05446	16.3
93.06462	2.2
93.07025	33.2
94.07372	1.6
95.04948	7.0
95.08591	40.8
97.02821	1.4
97.06504	3.7
97.10136	3.9
99.08067	2.6
105.07011	33.1
106.07246	1.5
107.07849	2.2
107.08573	42.0
108.08945	1.7
109.06498	100.0
109.10136	30.7
110.06853	2.2
110.10471	1.6
111.08038	5.8
111.11655	1.3
113.09596	1.6
115.05501	1.9
117.07011	7.8
119.08556	49.5
120.08835	3.0
121.06513	3.3
121.10128	26.7
122.10458	2.9
123.08069	4.2
123.11668	10.2
125.05979	1.8
125.09592	5.4
127.07510	1.7
127.11129	1.5
128.06197	2.0
129.06976	7.3
130.07742	1.7
131.08540	22.6
133.10101	28.6
134.10429	2.6
135.08015	4.6
135.11674	12.5
137.05972	2.9
137.09628	4.1
137.13249	3.4
139.03889	3.3
139.07489	2.2
141.06978	2.0
142.07744	3.7
143.08530	12.0
144.09306	2.0
145.06473	2.6
145.10092	32.9
146.10426	2.7
147.04395	2.3
147.08070	2.7
147.11662	22.6
149.05901	1.8
149.09572	8.3
149.13240	11.4
151.07506	3.5
151.11180	4.3
153.05438	18.5
153.09085	1.6
155.08502	4.5
156.09256	4.3
157.10104	15.6
158.10748	2.0
159.08002	2.5
159.11674	26.6
160.12097	1.9
161.09578	4.5
161.13232	16.1
162.13451	1.5
163.07513	2.1
163.11189	4.4
163.14807	14.3
165.09029	4.5
165.12650	2.1
169.10092	7.6
170.10806	1.5
171.11687	12.8
172.12189	2.2
173.09631	3.1
173.11816	1.8
173.13229	21.2
175.11128	5.1
175.14796	13.8
177.09116	2.1
177.12738	4.6
177.16409	9.0
179.10686	1.9
179.14386	1.4
181.10072	1.6
183.11688	9.5
185.09631	1.2
185.13220	18.5
186.13930	1.2
187.11176	3.1
187.14783	26.9
189.12717	4.3
189.16373	13.5
191.10611	3.1
191.14249	3.2
191.17934	11.8
193.10287	1.7
193.12184	3.1
193.15843	1.6
195.11676	5.7
197.13228	5.6
199.11125	2.2
199.14801	9.7
200.15150	1.7
201.12701	3.6
201.16377	21.1
202.16701	2.7
203.10614	1.4
203.14334	2.9
203.17902	10.7
205.12158	2.1
205.15808	2.4
207.11639	1.8
207.17413	2.9
209.13197	3.7
211.14839	5.0
213.12726	1.5
213.16367	16.6
214.16769	1.9
215.14240	1.7
215.17946	13.0
217.12175	3.3
217.15810	2.7
217.19530	3.7
219.11726	1.6
219.13747	3.0
219.17357	1.8
221.13275	2.1
221.15332	2.4
223.14851	1.8
225.16328	5.0
227.17946	3.5
229.15912	1.8
229.19467	4.6
231.13712	2.7
231.17387	1.8
237.16464	2.0
239.17952	2.5
241.19447	2.8
243.21066	3.4
245.15417	2.0
247.16862	10.6
251.17935	2.2
253.19186	1.3
261.18457	4.3
267.20978	1.9
269.19144	1.7
269.22662	3.0
273.18344	1.5
291.21185	1.7
293.22656	2.0
295.20395	2.4
319.24014	1.7
347.27133	2.0
349.29013	2.0
363.26572	3.5
365.24393	2.0
365.28287	5.4
367.29736	2.1
391.25705	7.3
391.30222	2.0
409.27225	29.3
409.34290	17.9
410.27762	3.4
411.28763	6.5
411.36337	2.1
419.28860	3.1
425.30402	1.5
437.25366	2.2
437.29752	5.0
437.34109	7.9
455.26727	9.0
455.31912	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	455.3512
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
51.18867	2.4
51.34460	2.5
53.28750	2.4
55.05500	15.8
57.07063	3.6
67.05491	25.0
69.07059	20.9
69.96381	17.3
70.38874	2.6
79.05478	19.7
81.07047	61.0
83.08590	12.4
91.05473	17.9
93.06547	3.4
93.07043	47.7
95.08592	100.0
97.10125	6.1
105.07011	57.2
107.08576	79.5
109.06486	5.5
109.10144	46.2
111.07358	5.2
111.08067	73.0
117.06972	3.5
119.07786	4.8
119.08569	70.6
121.09297	5.1
121.10132	64.7
123.08018	2.7
123.11658	21.8
131.08537	14.2
133.10114	51.3
135.11662	32.3
137.13205	6.9
139.11189	15.4
143.08531	6.1
145.10095	33.1
147.11678	52.1
149.13258	49.4
153.09064	7.6
157.10074	7.0
159.11670	28.9
161.13246	39.5
163.14819	36.8
171.11650	5.7
173.13235	16.4
175.14818	33.2
177.09171	3.5
177.16385	34.8
185.13269	5.9
187.14804	23.4
189.16356	68.5
191.17929	17.3
195.17368	5.0
199.14764	3.4
201.16342	39.4
203.17944	59.2
205.15776	18.6
205.19434	6.1
207.17412	14.5
213.16370	13.1
215.17903	31.2
217.19493	8.3
219.17390	10.9
221.18942	16.1
227.17921	9.0
229.19521	6.0
231.17422	3.7
235.16928	10.1
241.19415	6.8
243.21001	5.7
247.16971	15.7
249.18420	10.5
255.21100	6.3
261.18509	19.2
269.22641	4.1
287.20093	4.3
289.21573	3.3
292.31558	2.7
301.21567	4.8
315.23108	4.1
351.30249	5.2
369.49518	3.1
391.33502	9.2
397.31049	4.0
409.29501	4.9
409.34595	64.4
410.34717	5.5
425.33966	12.1
437.28775	4.1
437.34149	47.8
455.35321	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	455.3512
Annotation	Oleanonic acid
Peak:m/z	Relative Intensity
52.44992	0.6
54.58916	0.7
55.05506	4.0
57.07048	2.3
58.21925	0.6
64.15025	0.6
67.05208	0.6
67.05492	6.7
69.07056	6.0
71.05886	0.9
71.06219	1.0
79.05492	5.7
81.07048	14.5
83.04959	0.8
83.08612	4.5
91.05458	3.3
93.07031	10.1
93.07595	0.9
95.08591	34.2
97.10143	1.9
105.07004	8.5
107.08577	34.7
108.89264	0.7
109.06458	0.8
109.10142	16.1
111.08052	1.6
117.06968	1.9
119.08555	17.0
121.10125	23.6
122.10452	0.8
123.11669	7.7
131.08557	3.6
133.10112	15.2
135.08015	1.7
135.11682	10.3
137.09575	0.9
137.13237	6.3
143.08533	1.1
145.10109	9.3
147.11656	8.3
149.09596	1.2
149.13229	8.0
153.09056	1.7
157.10095	1.4
159.11662	6.2
161.13234	7.2
163.11148	15.0
163.14783	5.4
167.10640	0.8
171.11604	1.3
173.13249	4.7
175.14801	13.7
177.12781	1.0
177.16354	27.5
178.16652	0.9
179.14316	1.5
179.17963	1.8
182.94243	0.6
185.13246	1.4
187.14798	11.9
189.16341	12.1
191.17911	3.8
199.14796	2.0
201.16310	4.2
203.14630	0.8
203.17918	23.7
205.15839	100.0
205.19504	3.7
206.16248	2.5
207.17354	3.7
211.14890	0.9
213.16402	2.2
215.17915	4.2
217.15852	1.2
217.19487	1.0
219.17334	1.8
221.18896	1.7
229.15802	1.2
229.19441	1.6
231.17406	3.3
235.16855	1.1
241.19623	0.7
243.20885	0.9
247.16914	1.3
249.18489	6.3
257.22549	0.8
259.16696	0.7
261.18536	1.3
273.18686	0.8
275.16406	4.0
277.18073	0.9
285.25760	1.6
295.24164	4.0
308.84918	0.6
313.25116	6.8
339.26602	1.2
391.33429	2.6
409.34598	40.8
410.34918	2.1
425.34177	0.8
437.28873	0.8
437.34167	9.9
455.35388	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	455.3514
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03954	3.7
55.05498	11.9
57.07069	8.5
57.60670	2.2
63.81574	2.3
67.05496	25.8
67.65217	2.2
69.07058	26.5
70.87296	6.7
71.08637	3.5
79.05482	19.4
81.07050	42.4
81.07513	3.2
83.08600	14.7
85.06538	4.6
91.05466	24.3
93.07033	48.2
95.04979	3.5
95.08596	95.8
97.06529	3.0
97.10165	6.6
105.07018	58.3
107.08579	87.7
109.06542	3.4
109.10143	47.7
109.96928	2.2
110.43867	2.4
111.08105	9.5
111.11785	2.1
114.45074	2.1
114.50771	2.2
117.07003	5.8
119.08569	100.0
121.10126	65.5
123.08061	3.5
123.11696	20.5
125.05999	3.4
125.09666	2.4
129.07010	2.8
131.08553	26.1
133.10109	72.3
135.11671	43.2
135.12654	2.4
137.13301	7.4
139.07524	3.4
143.08598	9.7
145.10114	47.6
147.11673	59.9
149.09744	2.7
149.13243	26.6
151.07561	2.4
151.11203	2.7
153.09149	4.9
154.15614	2.1
155.08627	3.0
157.10190	9.0
159.11673	49.5
161.13231	36.5
163.07542	4.4
163.14810	32.9
163.16055	2.5
165.12819	8.3
169.10222	4.3
171.11728	10.8
173.13263	28.4
175.11075	2.3
175.14812	32.3
177.09067	10.4
177.16364	16.5
179.14261	16.4
183.11763	4.6
185.13269	10.9
187.11128	3.0
187.14809	33.6
189.16356	89.6
191.17912	22.2
193.15984	2.4
195.08662	2.8
197.13359	3.1
199.14870	11.1
201.16359	64.0
203.17938	77.7
205.12340	2.8
205.15990	4.0
205.19630	4.2
207.17429	27.5
209.15495	2.6
211.14969	2.4
213.16469	9.2
213.47780	2.8
213.49669	2.3
215.17908	22.4
217.12352	2.8
217.15950	5.4
217.19597	9.0
219.17476	6.0
221.15593	3.6
221.18968	17.1
227.18044	9.2
229.15901	6.6
229.19453	19.1
231.17477	4.3
233.15509	3.1
233.19054	3.4
235.16841	13.1
239.18108	3.2
241.19533	11.4
243.21114	16.8
243.43201	3.0
245.18907	2.9
247.16914	59.3
247.19360	3.4
249.18585	4.4
253.19656	7.2
255.21198	8.1
257.22672	2.8
259.17050	2.7
261.18448	11.2
267.21060	5.1
269.22714	5.3
275.20001	14.6
275.38007	2.4
287.20239	3.5
289.21625	10.5
295.24326	5.7
299.20096	3.8
301.21735	8.6
303.23373	4.5
315.23523	7.0
391.33508	20.9
409.34695	36.1
409.39514	3.4
419.33606	2.7
437.34229	75.7
455.35425	74.9
461.03735	2.6
461.11343	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	455.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.05500	25.9
57.07071	11.7
57.49684	1.9
64.13423	1.8
65.03933	1.9
67.05492	35.6
69.07059	49.7
70.88232	4.7
70.88609	4.2
71.08619	2.9
79.05483	25.3
81.06565	4.3
81.07045	75.7
83.08603	19.4
88.91430	1.9
91.05467	29.4
93.07029	63.9
95.04960	4.2
95.08594	95.9
97.06477	2.3
97.10159	9.8
105.07014	86.8
107.08578	76.9
109.10139	88.6
111.11723	7.0
111.90160	1.9
117.06991	13.7
119.08556	59.0
121.06459	2.0
121.10128	67.9
122.23794	2.3
123.08105	2.2
123.11693	33.0
128.06216	2.7
129.06993	6.6
131.08545	41.2
133.10112	62.2
135.11676	40.9
137.13231	10.1
142.07747	2.9
143.08530	15.2
144.09326	3.9
145.10100	62.5
147.11671	54.9
149.06003	2.5
149.09604	7.3
149.12019	3.0
149.13223	46.8
149.14330	2.9
151.14783	4.8
155.08517	5.2
157.10088	22.9
159.08002	2.8
159.11676	49.5
160.12140	1.9
161.09550	4.5
161.13231	58.1
163.11180	4.3
163.14783	14.4
167.10706	2.2
169.10120	5.8
170.10960	2.6
171.11636	16.5
173.13225	28.1
175.14792	16.5
177.09065	2.9
177.12683	2.3
177.16362	12.0
183.11719	6.7
185.13225	18.1
187.11163	4.1
187.14795	23.6
189.12697	2.3
189.16342	16.3
191.10628	8.0
191.14337	4.3
191.17943	37.5
193.12149	3.0
195.10103	2.4
195.11800	3.3
197.13268	5.4
199.14812	9.5
201.12717	2.3
201.16295	17.6
203.10608	3.6
203.17921	24.6
205.12170	6.1
205.15813	3.4
205.19458	17.5
207.13721	5.7
209.11720	8.5
213.16362	3.5
215.14297	3.1
215.17906	3.6
217.12247	7.0
217.19470	28.3
219.13748	6.0
219.21124	7.5
225.16435	3.5
227.17940	2.7
231.13762	9.1
231.21077	15.7
233.15314	10.3
233.22696	3.5
237.14825	3.1
245.15384	6.8
245.22681	5.6
247.16862	3.9
271.16663	2.9
281.22449	2.5
292.22696	2.3
297.25418	2.3
327.23389	5.1
345.24005	3.4
371.25824	2.1
391.33603	6.5
393.34970	4.1
409.34622	4.3
437.34103	35.0
438.33997	2.5
455.35147	100.0
456.35349	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	455.351
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.17701	2.6
53.03646	2.4
53.03907	2.5
55.05500	18.6
57.02114	2.2
57.03424	2.6
57.07066	5.3
67.05495	19.6
69.07063	20.0
75.26323	2.5
79.05470	11.0
81.07042	42.9
83.08605	11.4
91.05466	15.4
93.06467	2.9
93.07030	41.8
95.08591	74.2
97.06532	3.0
97.10122	3.7
97.55469	2.3
98.60658	2.9
105.07008	35.1
107.07861	3.6
107.08581	72.6
109.06513	3.5
109.10145	46.0
111.08064	3.2
117.06980	4.5
119.08562	100.0
121.09281	4.6
121.10115	52.6
123.11662	16.1
123.78815	2.6
125.09600	2.9
131.08545	22.5
133.10107	62.4
135.11678	38.5
137.13216	5.3
143.08545	4.7
145.10097	39.9
146.60100	3.0
147.11646	43.3
149.13234	19.3
151.07506	7.0
153.09061	3.7
157.10078	11.0
158.10783	3.0
159.11664	38.3
161.13228	37.0
163.07523	7.9
163.14786	30.4
165.12714	3.5
171.11662	9.2
173.13271	28.7
175.14789	23.3
177.09058	8.6
177.12523	2.9
177.16400	12.7
179.14284	12.2
185.13203	7.9
187.14764	42.6
189.16370	64.3
191.17934	48.4
199.14758	10.0
201.16350	57.1
203.14043	2.5
203.16005	3.2
203.17928	56.4
205.15956	3.5
205.19508	3.3
207.17448	13.0
213.16338	6.0
215.17920	20.1
217.19424	11.6
219.17358	5.8
221.18979	12.6
225.16394	2.8
227.17841	6.7
229.15829	4.7
229.19476	18.0
233.15419	5.9
233.18918	2.4
235.16867	8.0
241.19421	7.2
243.21030	8.6
245.15472	2.8
245.22595	3.7
247.16925	37.3
249.18620	2.7
253.19510	3.1
255.21030	8.5
261.18433	5.3
269.22321	4.4
273.18335	3.7
275.19986	8.2
287.20047	4.3
289.21454	3.3
295.24222	3.6
301.21613	6.0
313.21469	3.4
315.23254	4.5
323.58264	2.9
327.23242	3.2
391.33585	14.3
409.34616	37.5
437.34119	50.9
455.35388	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.3
55.05292	2.9
55.05507	28.1
57.07074	14.5
67.05496	37.9
69.07059	53.9
69.44714	25.9
70.06566	3.8
71.08617	7.7
79.05474	26.4
81.07042	99.2
82.07400	3.2
83.08598	20.1
88.07639	3.9
91.05461	25.3
93.07027	71.4
95.04996	4.2
95.08592	97.2
96.08896	2.8
96.16398	2.8
97.10154	9.0
102.09183	4.5
105.07010	99.9
107.08575	79.4
107.95564	2.7
109.10139	87.8
111.11694	10.9
115.80298	2.9
117.07000	11.3
119.08565	54.7
121.10122	69.9
123.11686	36.6
128.06241	4.3
129.06960	7.2
131.08553	41.7
133.10110	69.8
135.11678	44.5
135.38869	3.0
137.13245	14.9
143.08557	20.9
145.10103	58.3
147.08112	4.1
147.11659	71.6
149.05992	3.3
149.09598	7.3
149.13228	53.4
150.13509	3.6
151.14775	4.3
155.08511	6.3
157.10117	22.4
159.11658	58.6
161.13225	53.1
163.11127	6.6
163.14799	17.1
165.12762	3.6
169.10100	6.6
171.11674	21.1
173.13232	33.1
175.11249	4.3
175.14799	19.8
177.09053	5.4
177.16341	10.5
179.14172	3.1
183.11644	7.4
185.13245	16.9
187.11078	3.2
187.14804	32.7
189.12779	4.2
189.16338	23.9
191.10626	4.5
191.14218	4.9
191.17929	35.1
193.12198	4.6
197.13292	6.5
199.14809	12.2
200.20065	15.4
201.12717	3.6
201.16313	18.4
203.10745	6.1
203.14206	4.2
203.17929	33.5
205.12221	4.3
205.15895	4.5
205.19553	20.7
207.13785	8.4
209.11646	16.4
211.14752	4.2
213.16460	3.7
215.17903	5.4
217.12222	9.2
217.15988	3.6
217.19453	25.2
219.13806	7.2
219.20998	5.8
227.17923	4.3
231.13716	15.5
231.21034	14.0
233.15370	11.7
243.13841	4.0
245.15384	9.2
245.22708	8.9
249.14685	3.5
253.19658	4.4
259.24445	4.5
283.26282	11.0
293.49234	3.1
327.23279	8.0
345.24222	3.8
367.26254	3.3
391.33609	6.3
393.34851	5.9
409.34637	7.7
419.33041	4.6
437.34076	42.7
455.35187	100.0
456.35431	5.4
456.44183	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3515
Annotation	Lamesticumin C
Peak:m/z	Relative Intensity
53.03936	2.6
55.05503	15.9
57.03412	1.7
57.07069	3.8
61.02914	4.1
67.05496	24.4
69.03399	2.3
69.07052	22.9
71.04967	3.2
71.08599	2.0
79.05482	16.8
81.07043	48.1
83.04966	2.8
83.08604	12.9
85.02882	3.3
91.05457	19.1
93.07024	49.5
95.04942	4.0
95.08588	95.9
96.08947	1.9
97.06510	2.8
97.10130	6.6
98.20599	3.8
99.97974	2.1
105.07011	60.8
107.07848	4.1
107.08575	75.7
108.08907	2.8
109.06504	5.1
109.10139	51.0
111.08069	23.4
111.11709	2.1
113.09670	2.2
117.07009	5.7
119.08560	83.2
120.08974	2.0
121.06480	2.8
121.10123	52.6
123.08022	3.7
123.11671	19.1
125.09601	4.4
129.06943	3.7
131.08540	16.4
133.10114	60.4
135.11674	32.7
137.09645	3.5
137.13223	3.5
139.11156	3.2
143.08572	4.4
145.10104	33.6
147.11665	66.9
148.11917	3.1
149.09625	4.6
149.13234	67.9
151.11110	3.1
153.09070	7.7
155.08424	2.4
157.10112	8.8
159.11662	24.3
161.09625	4.4
161.13225	38.8
163.11107	2.2
163.14790	31.7
165.12646	2.4
166.53210	2.0
167.10617	5.0
169.10071	2.0
171.11732	9.1
173.13234	16.6
175.14793	28.9
177.12686	2.5
177.16357	44.9
179.10582	2.1
179.14151	2.2
185.13193	6.8
187.14786	28.0
188.15031	2.4
189.16362	72.7
191.17917	18.7
197.13170	2.5
199.14764	7.6
201.16365	23.3
202.16550	2.3
203.17920	100.0
205.15839	39.9
205.19441	18.0
207.17395	27.5
213.16328	7.8
215.17923	13.8
217.15910	2.5
217.19485	6.1
219.17360	7.6
221.15398	2.6
221.18929	10.8
223.14720	2.3
227.17970	4.3
229.15900	2.2
229.19496	4.8
229.57365	2.0
231.17372	6.5
233.18973	4.1
235.16882	9.4
241.19441	2.5
243.20995	3.2
247.16917	10.2
249.18474	19.6
255.20982	4.3
261.18512	4.3
261.22116	3.2
263.20090	2.3
271.06250	8.8
271.08835	1.7
289.21524	2.4
294.07922	2.7
295.24142	3.2
301.21539	3.0
313.25253	6.5
333.14853	2.3
351.30508	4.6
391.33594	14.0
397.30930	6.0
409.34595	61.8
410.35007	2.3
419.33090	2.7
425.34009	10.8
427.35428	3.2
437.28903	2.3
437.34158	40.0
438.34189	3.0
455.35620	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	455.3148
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
53.03927	1.9
55.01851	1.3
55.05260	0.9
55.05502	9.4
57.03423	1.6
57.07052	2.6
59.04992	0.7
65.03951	1.6
65.57047	0.9
67.05499	15.5
69.03423	3.8
69.06707	1.2
69.07056	14.9
69.97542	4.3
71.01345	1.8
71.04997	3.8
77.03931	1.3
79.05048	1.2
79.05480	14.4
81.03397	1.2
81.07047	32.3
83.04958	5.7
83.08608	5.6
85.06522	2.4
87.04458	1.0
87.33085	0.8
91.05468	17.0
93.07033	28.7
95.04959	5.7
95.08596	35.3
96.08932	1.4
97.06511	3.0
97.10130	2.3
99.04469	1.6
99.08070	1.4
101.05988	0.9
105.07018	42.7
107.08582	43.5
108.08889	1.4
109.06509	5.0
109.10139	20.0
110.10459	1.0
111.04464	4.7
111.08060	3.2
113.05975	3.8
115.05404	1.4
116.06229	1.0
117.07005	8.8
119.08564	46.0
120.08912	2.8
121.06484	5.4
121.10129	40.7
121.11013	1.6
122.10430	1.0
123.08052	6.2
123.11687	3.6
125.09623	1.3
128.06186	2.9
129.05458	0.9
129.07004	4.9
130.07759	2.9
131.07561	1.5
131.08549	26.9
133.06537	1.7
133.10120	26.3
134.10425	1.2
135.08049	11.4
135.11681	18.7
137.05978	2.6
137.09601	1.8
137.13211	1.7
139.07516	1.3
141.07024	2.4
142.07736	4.2
143.08540	15.5
144.09329	3.0
145.06499	1.4
145.10101	44.7
146.10368	1.0
147.08040	5.3
147.11679	17.2
148.12025	0.9
149.05984	1.6
149.09641	5.2
149.13229	15.4
151.07510	5.6
151.11139	1.3
152.54961	0.8
153.05548	0.8
153.06924	0.8
153.09074	0.8
155.07286	0.8
155.08531	4.8
156.09332	6.4
157.10114	17.2
158.07230	1.0
158.10909	1.3
159.08025	4.4
159.11673	27.9
160.08836	1.4
160.12201	1.1
161.05945	0.9
161.09612	7.5
161.13248	14.4
163.07556	3.2
163.11177	2.3
163.14810	15.6
164.15105	1.5
165.06952	1.0
165.09091	0.9
167.08511	1.2
168.09297	2.0
169.08798	1.3
169.10095	7.5
170.10904	3.4
171.08025	1.6
171.11658	13.7
172.08775	2.0
172.12419	0.8
173.09656	5.5
173.11742	1.5
173.13245	22.2
174.10455	1.0
174.13779	1.6
175.07574	1.5
175.11171	6.7
175.14801	24.6
175.16238	1.5
176.15132	0.9
177.09193	1.4
177.12772	3.2
177.16360	55.2
178.16707	2.3
179.14320	1.4
180.09239	1.3
181.08548	2.5
181.10123	3.2
181.29053	0.8
182.10843	1.7
183.11664	9.3
184.12289	0.9
185.09610	2.8
185.13239	20.0
186.10382	1.3
187.11200	6.5
187.14786	34.4
188.15126	1.1
189.09142	1.0
189.12712	9.1
189.16342	13.8
191.10521	1.0
191.14316	6.0
191.15788	0.8
191.17912	2.4
193.10156	1.1
193.12259	1.1
193.15855	3.6
195.11647	4.4
196.12428	1.1
197.13216	5.7
198.10335	1.9
199.11156	3.8
199.14786	10.6
201.12694	7.1
201.16370	21.6
203.10550	2.9
203.14259	10.5
203.17957	3.6
205.12210	9.5
205.15869	3.3
207.11707	2.4
207.13663	1.4
209.13251	2.5
211.11154	2.0
211.14796	3.8
212.15582	1.3
213.12715	7.3
213.16283	5.9
215.10596	0.9
215.14337	6.0
215.17969	2.8
216.51341	0.7
217.12212	6.3
217.15836	2.3
219.13715	8.4
221.13313	1.7
221.15244	1.3
223.14763	2.2
225.12733	2.0
225.16367	3.1
227.14362	2.6
227.17873	4.0
229.12186	2.4
229.15941	1.4
229.19435	1.5
231.13763	6.7
233.15327	4.4
235.16884	1.1
237.16487	1.6
239.17792	1.1
241.12273	1.0
241.15779	1.2
241.19498	1.6
243.13750	3.1
245.15434	3.5
247.13327	2.0
249.14751	12.2
253.19449	1.5
254.20003	1.0
255.21022	1.6
257.15387	1.2
261.14615	4.0
263.18307	1.1
265.14185	9.9
265.19290	1.9
267.21194	1.4
277.14243	4.5
279.15866	7.4
279.21106	1.8
288.10251	0.8
305.17493	2.1
307.24170	2.4
308.24738	1.2
331.24121	1.1
361.45758	0.8
373.24759	0.9
373.28970	1.8
386.25723	0.9
389.28351	6.3
391.29846	4.2
401.28305	4.5
407.29327	5.4
409.30576	3.7
411.32886	1.0
419.29407	17.6
420.29523	1.4
425.30453	1.6
437.30353	25.2
438.30774	1.6
455.31485	100.0
456.32007	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	455.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47211	1.0
53.03941	1.4
53.15901	1.1
53.45849	1.0
55.01866	2.7
55.05502	12.9
57.03426	1.7
57.07074	2.5
59.05003	1.7
65.03912	1.5
67.05494	30.9
68.43794	1.1
69.03416	4.0
69.07063	10.3
71.04978	3.2
71.62408	1.2
71.62801	1.2
79.05476	12.8
80.14327	1.1
81.03397	2.6
81.07051	30.6
83.04960	5.8
83.08607	6.4
85.02878	2.4
85.06543	2.1
91.05450	16.3
93.07024	21.3
95.04951	8.1
95.08599	28.4
96.08925	1.5
97.02899	1.8
97.06522	4.7
97.10174	6.0
99.08101	1.8
101.19111	1.2
105.07014	25.7
107.04951	2.5
107.08577	31.2
108.08948	1.5
109.06504	100.0
109.10143	30.4
111.08081	5.7
113.06011	1.2
113.09633	2.2
115.03896	1.7
115.05423	2.1
117.07003	6.0
119.08565	37.9
120.08913	1.5
121.06518	2.6
121.10124	19.7
122.10558	1.5
123.08053	7.0
123.11720	4.7
125.05962	2.9
125.09632	4.7
127.07562	2.0
129.06967	4.5
130.07791	1.1
131.08536	19.6
133.06499	1.4
133.10110	20.8
135.08035	4.2
135.11684	12.9
137.05978	3.2
137.09584	4.1
137.13229	3.5
139.03940	2.0
139.07571	1.4
142.07777	3.3
143.08557	11.1
144.09314	1.7
145.10114	25.3
147.08061	2.2
147.11676	17.2
149.09633	7.9
149.13226	9.7
151.11182	4.9
153.05450	21.2
153.09171	1.4
155.08528	4.5
156.09349	3.6
157.10114	13.3
159.08159	1.8
159.11699	16.3
161.09639	4.6
161.13248	9.0
163.11209	3.3
163.14801	6.9
165.09023	2.1
165.12793	2.0
169.10062	6.3
170.10925	1.9
171.11674	11.2
173.09668	3.6
173.11737	5.4
173.13255	19.5
175.07437	1.4
175.11194	6.2
175.14774	9.9
177.12732	3.8
177.16354	6.9
179.10672	2.8
179.14279	1.2
180.09348	1.2
181.10027	3.0
182.10895	1.4
183.11693	7.4
185.09598	1.3
185.13232	19.0
186.13618	1.4
187.11218	2.9
187.14816	19.5
189.11198	1.5
189.12772	3.7
189.16391	9.2
191.10648	2.7
191.14297	2.8
191.17955	5.4
193.12259	2.4
195.11710	4.8
197.13336	6.5
199.11261	1.7
199.14781	5.9
201.12706	3.2
201.16374	14.3
203.14255	3.2
203.17905	6.5
205.12257	1.9
205.15947	2.0
209.13251	3.5
211.14845	3.9
213.12906	1.4
213.16348	11.0
215.14333	2.3
215.17917	9.0
217.12320	2.2
217.15965	3.2
217.19501	1.5
219.11659	1.3
219.13736	2.7
219.17392	1.7
221.18886	1.2
223.14764	2.5
225.16454	2.6
227.12666	2.1
227.17975	2.7
229.14223	1.9
229.19543	2.1
231.13945	1.4
231.17323	1.8
239.17952	2.8
241.19337	2.6
243.13824	1.6
243.20963	1.5
247.16959	4.3
251.17917	2.1
255.20973	1.7
259.16992	1.8
261.18451	3.1
263.18021	1.5
267.21002	1.6
269.22754	1.5
283.15317	2.8
317.22968	1.1
319.24127	2.0
325.25549	1.2
349.29034	2.1
363.26791	4.2
365.24429	2.3
365.28543	6.0
367.29974	3.1
391.25854	5.7
391.30408	2.0
395.25638	1.4
409.27258	32.0
409.33206	3.0
411.28555	4.5
437.30466	5.1
455.27100	17.6
455.32626	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	455.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29698	0.8
54.02483	0.8
61.27718	0.6
65.28490	0.7
67.05452	0.7
69.03411	1.4
71.62524	0.8
71.62895	0.9
73.02889	0.8
75.27434	0.6
78.83500	0.7
81.07019	1.1
81.46132	0.7
82.41809	0.6
85.02895	1.1
90.12247	0.6
91.05440	1.0
93.07003	1.7
95.08585	1.0
100.82372	0.7
105.06999	2.2
107.08578	1.1
109.02818	1.1
109.10107	0.9
109.19720	0.7
111.04430	0.7
121.10095	1.9
125.09540	0.9
127.03878	2.2
145.09995	0.9
147.04355	1.7
147.11674	1.0
199.72002	0.7
213.69888	0.6
275.20126	0.9
275.28763	0.7
333.12814	0.7
454.17612	0.7
455.20313	100.0
456.20670	3.9
462.09900	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.05489	0.6
57.03407	0.7
67.05484	1.0
69.03422	2.9
69.07059	1.2
70.06189	2.0
71.04980	0.5
73.02902	0.5
79.05478	0.9
81.03390	0.9
81.07037	2.3
83.04978	0.5
85.02885	3.0
85.06503	0.5
87.04456	0.8
88.94451	0.4
89.03915	0.5
91.05460	1.1
93.07027	1.6
95.08579	2.7
97.02876	1.9
97.06496	0.8
97.10124	0.6
98.21430	0.5
98.97570	0.6
105.07016	1.5
107.08553	2.4
109.02856	0.4
109.06522	0.8
109.10116	1.6
115.03913	1.2
117.03353	1.4
118.00060	0.4
119.04956	0.6
119.08580	1.4
121.02791	0.5
121.06441	0.5
121.10122	1.5
123.04354	0.7
125.09621	0.9
127.03926	0.8
127.11234	0.6
131.08522	0.9
133.04918	1.0
133.10106	1.7
135.08037	0.7
135.11658	0.7
137.09583	0.5
139.03851	0.6
145.02814	4.7
145.04919	0.4
145.10103	1.2
147.04324	2.2
147.11710	0.9
149.05978	0.8
159.11652	1.4
161.09534	0.9
161.13200	0.7
163.03944	0.5
163.11154	0.7
165.09116	1.0
173.13298	0.6
175.14832	0.6
177.05434	11.5
187.14761	0.7
189.12762	0.7
195.91185	0.5
199.14610	0.6
203.14267	1.0
215.14246	0.6
216.51463	0.5
229.51205	0.4
257.19009	0.7
261.12680	0.8
275.20078	0.5
293.21085	0.6
325.12149	1.4
370.37497	0.5
409.31091	0.9
437.17438	1.7
437.30258	1.5
455.20343	100.0
455.31079	3.5
456.20609	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.4
53.03933	1.1
54.43790	0.4
55.01859	0.9
55.05495	0.9
57.03423	0.4
59.05002	0.6
65.03935	0.4
67.05493	1.3
68.99776	0.7
69.03423	2.0
69.07051	0.6
70.06568	0.6
71.04986	1.0
71.62025	0.4
71.62434	0.4
77.03912	0.4
78.10125	0.3
79.05466	1.7
81.03409	3.5
81.07042	1.4
83.04969	1.4
83.08595	1.3
85.02918	2.1
85.06522	0.7
91.05478	1.9
93.03400	0.7
93.07021	1.1
95.04962	11.9
95.08595	0.6
97.02870	1.1
97.06549	0.5
99.04425	0.7
99.08074	0.5
103.05487	0.4
105.03384	0.9
105.04453	0.5
105.07043	1.0
107.04930	1.7
107.08577	0.8
109.02876	5.8
109.10155	1.4
110.07137	0.3
111.04425	1.6
111.08037	0.6
112.07655	0.4
112.28909	0.4
115.05450	0.6
118.97159	0.4
119.04938	5.7
119.08578	1.1
121.02858	2.1
121.06500	1.1
121.10091	0.5
122.06055	0.6
123.04416	100.0
124.04781	2.0
124.07664	0.6
125.09563	0.5
126.09122	0.9
127.03888	1.9
129.05473	0.4
129.07004	0.5
131.04903	0.6
133.06471	0.4
133.10118	0.5
135.04402	2.3
136.07596	0.6
137.02332	1.4
137.05931	0.5
137.09602	1.2
139.03888	37.6
140.06960	0.7
143.04909	1.2
143.08594	0.4
145.02832	0.5
145.06482	0.5
147.04398	21.4
150.05469	0.5
151.03905	1.7
153.05452	0.7
159.08055	0.6
161.06009	3.9
163.03908	3.3
165.01851	0.8
165.05464	36.7
165.09140	1.6
166.05856	0.9
167.06993	0.6
169.04964	1.0
175.03964	0.4
175.09694	1.4
177.05479	1.4
179.03278	0.9
179.06960	1.8
181.04880	0.4
183.02933	1.0
187.07533	0.4
189.05444	1.7
191.03380	20.3
197.05952	0.5
199.07516	0.4
203.03413	1.4
207.06483	4.2
207.15938	1.0
215.07111	0.5
221.04460	1.3
231.06493	1.0
243.06506	2.3
249.07590	0.8
255.06555	0.5
273.07550	2.6
283.11533	0.5
285.07547	4.6
287.05499	1.8
291.08606	22.8
292.09018	0.6
303.08633	3.3
315.08649	0.4
317.06537	3.4
317.10107	0.8
343.08099	6.1
361.09235	0.5
377.10342	0.4
395.11099	3.2
419.11148	0.5
437.12534	1.1
455.13803	2.4
455.22925	0.4
456.13934	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78352	0.4
54.57452	0.4
55.01859	0.8
55.05505	0.8
57.03421	0.4
59.05000	0.5
61.02915	0.5
62.12492	0.4
65.03931	0.5
66.23674	0.4
66.91292	0.4
67.05482	1.9
69.03405	1.2
69.07040	1.6
70.06570	1.2
70.29598	1.8
71.04971	0.9
79.05484	0.9
81.03409	2.5
81.07061	1.0
83.04955	1.0
83.08607	1.6
85.02873	1.6
86.09666	0.5
91.05461	2.4
93.03368	0.6
93.07022	1.1
95.04951	11.4
95.08597	0.6
97.02898	0.9
99.04436	0.7
103.31624	0.5
105.03373	0.6
105.07018	1.2
107.04940	1.7
107.08590	0.6
109.02883	3.3
109.10125	1.2
111.04414	1.9
111.08064	0.8
115.05443	0.4
119.04912	5.1
119.08621	0.7
121.02840	2.4
121.06490	1.4
121.10079	0.8
122.06038	1.0
123.04408	100.0
124.04744	1.6
126.09102	0.9
127.03883	2.0
131.04970	0.5
133.06499	0.6
135.04401	1.8
137.02335	1.2
137.09636	1.1
139.03877	36.7
143.04884	1.2
147.04387	19.9
148.04733	0.5
150.05460	1.4
151.03889	2.1
161.05952	4.5
162.05388	0.5
163.03903	3.2
165.01714	1.0
165.05453	38.9
166.05791	1.1
167.06953	0.6
168.06487	0.9
169.04938	0.9
175.09604	1.8
175.11009	0.4
177.05458	1.2
179.03302	1.1
179.06967	1.6
183.02809	0.8
185.80434	0.4
187.07509	0.8
189.05423	1.4
191.03374	19.1
195.03021	0.5
203.03375	2.2
203.06868	0.7
207.06483	4.7
207.15942	0.7
209.04523	0.7
213.05367	0.5
221.04475	1.5
227.06917	0.6
231.06453	1.0
233.04579	0.6
243.06412	2.4
255.06490	0.8
273.07568	1.9
285.07562	5.3
287.05515	1.6
291.08578	21.5
292.08871	0.7
297.07706	0.6
303.08502	3.1
315.08560	0.6
317.06476	4.1
343.08044	5.3
384.14621	0.5
387.39032	0.5
395.11316	3.2
437.12387	0.8
455.14355	2.4
455.21631	0.5
456.14307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.14042	0.5
51.89531	0.4
52.52307	0.4
55.05507	2.4
57.03435	3.3
57.07068	19.0
62.06083	24.3
62.06403	1.2
67.05500	3.9
69.07068	3.5
71.08624	13.8
81.07040	6.5
83.08596	4.0
85.10171	8.4
89.06034	0.8
93.07013	0.9
95.08598	9.0
97.10168	2.6
98.98453	4.3
105.07011	1.2
105.62138	0.5
107.08577	1.8
109.10128	4.4
111.11701	0.6
119.08567	1.0
120.08920	0.7
121.10126	0.7
123.11700	1.9
124.01592	1.3
131.08568	0.7
132.08830	0.6
133.10097	0.7
135.11687	0.9
137.13306	0.6
142.02644	1.4
155.01030	5.4
159.11682	0.8
173.02028	0.8
177.16313	0.5
177.23624	0.5
188.14960	0.7
198.05222	1.2
216.06323	3.4
216.18182	0.6
229.40363	0.6
239.23769	1.5
244.16570	0.6
276.05603	0.5
282.27875	11.7
313.27325	100.0
314.27444	2.5
355.75412	0.6
393.23895	7.9
431.92892	0.7
436.28082	4.7
436.33185	1.1
454.28296	2.7
454.34692	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	454.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.3
54.42151	0.7
55.01867	1.2
55.05509	2.9
57.03437	1.5
67.05495	13.3
69.03416	4.5
69.07063	2.0
70.06585	1.5
71.04987	1.9
71.62465	1.0
73.02908	0.8
79.05495	1.9
81.03406	15.4
81.03846	1.2
81.07041	10.0
83.04981	0.7
83.08600	1.0
85.02897	3.7
85.06514	0.7
87.71280	0.6
91.05475	2.1
93.07046	2.6
95.04950	3.7
95.08593	6.5
97.02883	3.3
97.06519	0.9
99.04447	2.6
99.08089	1.5
100.11239	1.1
107.08590	2.3
108.08922	0.7
109.02864	18.8
109.06509	2.2
109.10136	43.1
111.04425	1.4
111.08068	1.7
117.80006	0.6
119.04900	1.8
119.08574	3.2
121.02843	5.7
121.10108	1.8
123.04398	0.8
123.11716	0.8
125.05977	2.7
125.09656	0.8
127.03899	8.9
131.07027	0.7
134.87148	0.7
135.08032	1.5
137.09593	100.0
138.09969	2.0
139.03886	0.9
140.07030	1.4
145.02768	0.9
145.08559	1.3
146.05956	3.5
147.04411	3.6
152.06897	0.9
154.08601	30.9
155.08809	0.8
155.09473	0.8
155.10654	6.8
163.03871	2.9
163.07552	1.2
165.09084	89.6
166.09386	2.3
177.05475	1.8
183.10124	7.6
189.05421	0.9
191.09132	0.8
201.11194	12.6
207.02779	1.8
210.14781	0.8
238.87341	0.6
243.12283	0.7
263.12698	0.9
265.06677	0.8
273.10995	0.9
291.12204	9.8
309.13272	67.4
310.13544	2.5
327.14310	15.5
345.15454	4.8
454.19522	1.1
454.34607	3.7
455.22369	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	454.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.7
55.01857	1.1
55.05495	2.2
67.05493	14.6
69.03416	4.9
69.07084	1.2
70.06561	1.0
71.04974	1.7
79.05490	2.9
81.03405	16.0
81.07036	9.4
83.08601	1.1
84.62455	0.9
85.02876	3.2
91.05455	2.4
93.07026	3.9
95.04956	2.5
95.08581	5.9
97.02875	3.2
98.06032	1.8
99.04445	2.5
99.08098	1.3
100.11242	2.0
105.07091	1.2
107.08571	2.7
108.04453	1.0
109.02863	16.5
109.06467	1.6
109.10139	42.2
111.04442	1.6
111.08085	1.3
119.04942	1.4
119.08551	2.5
121.02825	3.3
122.03212	1.0
123.04410	2.1
125.05954	2.7
127.03912	8.6
128.04332	0.9
135.08014	2.1
137.09596	100.0
138.09969	1.8
139.03903	2.0
145.02765	1.5
146.05978	3.8
147.04398	4.4
149.09508	0.9
154.08591	13.7
155.10654	8.3
163.03874	0.8
165.09090	94.0
166.09425	1.8
177.05428	3.1
183.10147	6.8
201.11185	12.2
201.12883	1.4
207.02878	1.6
225.11095	0.9
239.12691	1.2
240.04581	0.8
263.12775	1.2
290.63098	0.8
291.12222	10.6
309.13278	64.8
310.13617	1.0
327.14316	15.3
345.15320	4.4
366.80057	0.9
436.33640	0.9
452.58279	0.9
454.19519	1.6
454.34677	2.0
455.22507	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3358
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05496	18.7
57.07059	6.8
59.04965	2.6
65.03918	2.4
66.75370	1.9
67.05496	29.5
67.17393	1.8
69.07063	20.5
70.87971	5.4
70.88316	1.9
73.64703	1.8
79.05472	20.8
81.07046	60.1
83.04968	18.8
83.08598	13.1
89.34315	2.1
91.04942	3.3
91.05465	29.2
93.07024	51.7
95.04950	8.8
95.08595	83.9
97.06508	4.4
97.10159	5.5
100.08332	2.3
105.07012	69.1
106.07317	2.3
107.08576	87.4
109.06477	9.4
109.10136	47.2
111.08065	9.9
113.72478	2.0
114.83353	2.0
117.07014	13.4
119.08560	100.0
120.08904	3.0
121.06435	2.8
121.10124	71.4
123.08052	4.6
123.11694	30.2
125.09637	14.3
128.06268	2.8
129.07002	5.2
130.07813	4.0
131.08546	41.0
133.09087	4.3
133.10101	73.8
134.10472	3.1
134.94052	1.9
135.08018	4.2
135.11678	33.6
137.09570	4.8
137.13210	3.3
142.07733	2.9
143.08546	18.5
144.09302	4.6
145.10101	77.6
147.11656	31.6
149.09624	4.3
149.13216	18.2
151.11172	7.8
153.09123	4.1
155.08484	3.3
156.09258	2.4
157.10107	21.6
158.10847	2.3
159.11681	71.8
159.13014	3.9
161.09575	2.6
161.13235	31.4
163.11240	3.7
163.14841	15.4
169.10107	5.2
171.11719	13.7
172.12451	3.7
173.13245	36.6
175.14792	48.3
177.12682	2.8
177.16347	25.3
183.11615	4.7
185.13220	9.0
187.14789	67.8
189.16348	68.6
190.16702	2.1
191.14236	17.1
191.17914	25.8
193.15846	4.0
197.13210	5.0
199.14812	19.1
201.16351	91.0
202.16684	3.3
203.14240	3.7
203.17905	21.0
205.15852	56.2
207.17468	6.1
211.14754	4.6
213.16333	44.1
215.14491	2.6
215.17921	36.2
217.15814	11.1
217.19466	9.0
219.17424	61.5
220.17816	3.1
221.15454	2.0
227.17902	8.3
229.15892	4.7
229.19481	5.7
231.17297	5.0
233.15268	2.6
233.18956	7.9
235.16899	37.1
241.19485	16.6
243.17410	3.2
243.21082	7.0
245.18765	2.7
245.22684	3.1
247.16891	18.9
249.18265	2.8
251.17897	3.2
253.19464	2.9
255.21011	5.8
257.22720	3.0
261.18445	9.9
265.19302	2.9
267.20966	12.3
281.22659	5.7
311.23431	3.3
389.32190	13.4
407.33047	94.2
408.33310	6.5
409.34503	9.2
423.32462	4.4
435.32776	27.9
453.33780	56.7
454.34048	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03947	1.4
55.05501	14.5
57.07067	11.6
67.05499	15.2
68.64325	1.5
68.77737	1.5
69.07062	48.1
69.63190	6.2
69.63621	8.3
71.08615	2.8
79.05470	11.6
81.07050	38.8
83.08615	17.5
91.05472	12.3
93.07023	17.7
95.04958	1.9
95.08597	39.1
97.10155	6.0
105.07021	32.6
107.08581	27.3
109.10146	37.1
111.11703	2.3
117.07021	4.3
119.08575	22.1
121.10121	22.3
123.11687	17.2
125.13202	1.7
128.06181	1.6
129.07001	8.1
131.08575	23.5
133.10110	26.1
135.11679	12.1
137.13239	7.6
138.78023	1.7
141.06989	4.1
142.07753	2.5
143.08527	16.7
145.10114	21.3
147.11673	21.3
149.09608	2.8
149.13260	8.2
151.14844	2.6
155.08568	10.2
157.10107	18.7
159.11682	26.9
161.09604	1.6
161.13234	18.0
163.14801	7.2
165.16400	1.6
167.08578	3.9
168.09268	2.0
169.10098	12.6
169.36823	2.0
170.10843	1.7
171.11668	14.6
173.13263	13.1
175.11154	2.1
175.14803	7.3
177.09163	2.0
177.16357	3.5
181.10095	6.6
182.10808	2.0
183.11658	11.8
184.12514	2.0
185.13210	11.1
187.14813	9.8
189.16357	5.9
191.10550	2.0
191.17932	3.2
194.10901	1.9
195.11722	10.0
196.12445	3.0
197.13219	11.9
198.14000	2.9
198.90804	1.7
199.14778	7.0
201.09116	2.3
201.12704	2.2
201.14772	1.5
201.16336	8.1
203.17897	7.6
205.12198	2.3
207.11786	2.1
209.11526	2.2
209.13304	9.6
211.14795	8.1
213.09052	1.7
213.16351	5.5
215.10707	2.1
215.17964	6.2
217.12187	3.2
217.19429	4.1
221.13313	2.2
223.14883	10.5
223.16655	1.9
225.16354	6.6
227.17941	3.2
229.19505	5.8
231.13774	3.0
231.21045	3.8
233.11711	3.1
235.14951	3.1
237.16380	4.5
239.17957	2.2
243.13792	2.7
243.20648	1.9
245.15317	2.1
245.22624	5.1
249.16473	1.8
251.17946	5.9
253.19435	3.5
255.13835	3.3
257.15323	7.6
259.24173	2.6
265.19662	2.3
269.15460	5.2
269.19003	4.0
269.22403	2.5
271.16977	3.5
275.16440	4.8
279.17496	2.5
279.21005	4.2
281.18976	2.1
281.22552	2.2
283.16830	8.4
283.24258	2.2
287.16357	4.0
295.16785	2.3
297.18475	25.0
299.20282	2.2
301.18042	2.2
303.19583	2.5
311.20135	3.5
313.17874	2.2
315.19476	15.8
325.21613	6.9
327.19437	2.0
329.20987	2.6
341.20993	3.3
343.22678	5.7
353.24640	1.9
371.25940	3.0
379.26465	3.0
389.32156	5.1
391.33566	4.4
407.33075	6.2
435.32587	35.3
436.32889	3.1
453.33597	100.0
454.33908	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	453.3355
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03944	2.0
55.05500	15.5
57.07066	4.8
62.00254	2.1
67.05490	16.2
69.07059	18.8
71.06232	4.5
74.15990	2.1
78.13934	1.9
79.05486	13.8
80.57278	1.9
81.07040	43.9
83.08604	7.7
89.88673	1.9
91.05452	17.5
93.07022	27.4
95.04956	3.2
95.08595	64.0
96.10110	2.0
97.06503	3.0
97.10172	2.9
105.07011	59.1
105.07661	4.6
107.08582	44.4
109.06522	3.8
109.10140	29.6
111.08044	10.5
113.06068	2.2
115.05421	3.2
117.07012	8.4
119.08559	74.4
121.10114	37.7
123.08091	2.4
123.11710	15.8
129.06956	5.4
131.08542	26.3
133.10109	46.3
135.11670	19.0
137.13226	2.9
139.11162	5.4
142.07816	2.3
143.08562	20.1
145.10109	51.6
147.11690	37.2
149.13216	18.3
151.11188	4.0
155.08536	4.5
156.09315	2.6
157.10078	18.3
159.11674	37.7
160.12129	2.6
161.13239	52.6
163.11191	3.2
163.14789	22.6
165.16354	2.2
169.10069	14.8
170.10835	3.3
171.11668	20.8
173.13248	20.5
175.14818	34.6
177.16359	22.7
179.10582	2.2
179.14270	31.6
181.10056	4.1
183.11653	11.8
185.13255	9.6
187.14815	29.7
189.16356	41.9
189.47269	2.2
191.17914	4.5
193.15855	27.2
197.13266	5.7
199.14774	23.7
201.16359	44.2
203.17955	39.1
203.19728	3.4
205.15813	16.9
207.17427	3.3
209.13223	3.5
211.14821	5.3
212.15665	4.4
213.16348	21.3
215.17879	14.7
217.15845	17.4
217.19429	3.3
219.17441	16.1
223.14868	3.4
225.16425	7.1
227.17857	10.4
229.19518	8.7
231.17438	12.4
233.15445	2.5
233.18999	2.8
235.16916	6.0
237.16336	19.9
239.17923	19.8
241.19334	11.4
245.19191	3.2
247.16998	6.4
249.18582	8.8
251.18053	5.1
253.19553	13.1
255.21085	3.6
257.18958	10.6
259.16946	3.5
259.20575	11.7
261.18539	7.5
267.21085	3.7
271.20508	16.1
273.18463	4.5
277.19437	3.2
279.21063	4.2
281.22708	2.4
285.18298	14.5
287.20081	3.1
299.20084	10.1
316.52231	2.5
327.23322	3.2
349.28928	5.3
377.32059	3.0
389.32059	19.8
395.29379	10.7
407.33087	86.3
408.33554	7.0
409.34390	3.3
423.32629	8.6
435.32666	31.6
453.33621	100.0
454.34122	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	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.69708	1.2
52.28062	1.0
53.03927	2.4
55.05503	13.7
56.44122	1.0
57.07064	7.4
61.95877	1.2
65.03929	2.0
67.05495	25.7
69.07059	34.0
71.04975	3.5
71.08632	2.5
73.95447	1.1
79.05479	13.4
81.07047	49.3
82.07406	1.3
82.37431	1.2
83.04981	2.7
83.08599	11.4
91.05455	16.4
93.07029	31.0
95.04965	3.5
95.08595	61.3
97.06509	3.3
97.10169	4.0
98.21486	2.9
104.42926	1.1
105.07016	52.2
106.14381	1.1
107.08579	43.0
109.06509	1.9
109.10143	47.1
110.10524	1.1
111.04512	1.2
111.11707	2.1
117.07000	10.4
119.06142	1.0
119.08564	40.6
120.08929	1.1
121.06514	1.5
121.10125	29.8
123.08067	2.5
123.11687	17.2
125.09653	1.2
127.11183	4.8
128.06195	4.0
129.06995	7.8
130.07771	2.0
131.08553	29.4
131.09500	1.8
133.10114	47.0
135.11679	18.9
137.13235	7.6
141.06947	2.4
142.07785	6.4
143.08530	18.6
144.09335	2.6
145.10106	44.3
146.10789	1.1
147.08015	1.6
147.11665	33.9
149.09624	3.8
149.13248	11.3
151.07483	1.4
151.14784	2.4
155.08507	11.2
156.09337	3.2
157.10092	30.3
158.10870	2.9
159.08005	2.2
159.11671	43.4
160.12228	1.3
161.09694	3.3
161.13231	23.4
163.07515	1.7
163.11197	3.2
163.14812	7.0
165.06996	1.2
167.08575	1.5
168.09322	1.6
169.10089	10.3
170.10838	1.2
171.11653	17.6
173.09618	1.3
173.13229	16.7
175.11191	3.0
175.14807	12.8
177.09186	2.1
177.12761	2.0
177.16324	5.5
179.14377	1.5
181.10144	3.8
182.10826	1.2
183.11700	9.1
185.09639	2.0
185.13223	13.7
187.11250	3.1
187.14793	18.3
189.12677	1.4
189.16336	11.6
189.17596	1.1
191.10670	3.2
191.14354	1.9
191.17921	9.1
193.10220	2.1
195.11707	5.2
197.13217	9.0
199.11258	2.0
199.14792	11.7
201.09106	2.1
201.12851	3.5
201.16354	19.6
203.10611	2.0
203.14314	3.9
203.17947	19.8
205.12218	2.1
205.15881	3.3
205.19504	1.4
207.11684	1.7
209.11641	1.4
209.13234	5.3
211.14810	5.5
213.12788	1.3
213.16367	6.6
215.10751	3.0
215.14343	2.8
215.17952	11.1
217.12312	3.4
217.15967	1.5
217.19463	6.5
219.13837	1.9
219.17361	2.5
221.13327	2.1
223.14870	4.4
225.16418	4.2
227.17952	4.7
229.16013	2.1
229.19504	9.6
231.13734	5.4
231.17400	1.4
231.21030	4.5
233.15395	2.0
235.14873	2.4
235.17072	1.3
237.16486	3.5
239.17892	2.4
241.19566	3.4
243.13808	2.3
243.21126	3.1
245.15375	5.0
245.22588	5.5
247.17010	3.0
251.17999	2.2
253.19490	2.4
255.13698	1.5
255.21118	1.7
257.15408	4.8
257.22586	2.3
261.14932	1.6
265.19638	3.1
267.21057	2.4
267.30692	1.2
269.15350	3.6
269.22592	5.3
275.16397	3.6
279.20947	2.2
281.22650	2.1
283.16885	3.3
283.24380	1.9
285.18854	1.3
287.16443	3.1
289.18130	1.3
297.18564	1.5
301.18112	3.9
309.18607	1.7
311.19986	2.8
313.21616	1.6
315.19565	3.1
323.20163	1.7
325.21591	2.3
327.19592	1.3
341.21033	2.7
343.11630	1.4
343.22723	2.5
353.24545	1.9
367.26144	1.4
371.25735	1.8
379.26205	2.6
389.32111	5.1
391.33618	3.2
407.33224	12.3
409.34790	1.9
417.31790	2.3
425.34494	1.1
435.32599	35.4
453.33682	100.0
454.34106	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	453.3357
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05509	14.8
57.07065	5.6
65.03919	3.2
67.05493	28.0
69.03387	2.1
69.07049	19.2
69.51476	4.2
69.51887	16.3
70.18948	2.3
77.03936	2.0
79.05473	21.4
81.07046	53.9
83.04977	19.0
83.08609	10.4
85.10196	2.0
91.05467	22.2
93.07030	51.5
95.04966	10.6
95.08591	94.7
97.06525	4.1
97.10151	5.4
99.08090	3.7
105.07012	69.5
106.07292	3.0
107.08575	82.8
109.06502	9.0
109.10136	58.3
111.08050	14.0
117.06318	2.4
117.06974	12.8
119.08565	100.0
120.08891	2.7
121.10130	55.2
123.08067	6.5
123.11700	22.6
125.09618	9.3
128.06136	2.3
128.65320	2.1
129.06995	6.2
131.08557	35.2
133.10114	66.6
133.11072	4.4
135.08087	3.8
135.11678	32.5
137.09637	5.0
137.13199	4.4
139.11244	2.5
143.08549	14.9
144.09355	3.9
145.10106	63.3
147.11658	48.6
149.09708	4.9
149.13255	22.3
151.07555	2.4
151.11183	6.9
153.09105	5.6
155.08609	4.3
156.09279	2.4
157.10101	19.2
158.10886	6.3
159.11670	66.6
160.12167	3.0
161.13243	42.1
163.11186	3.9
163.14778	18.0
165.12794	4.1
169.10110	4.7
171.11655	14.6
172.12428	4.1
173.13228	35.4
174.75484	2.1
175.11177	2.4
175.14801	35.2
177.09106	6.8
177.16353	17.3
182.02083	2.1
183.11707	4.7
185.13275	10.8
187.14801	62.6
189.12674	2.5
189.16325	51.7
190.16780	3.0
191.14343	11.3
191.17902	16.6
193.15886	4.7
195.11588	3.4
197.13223	5.8
199.14745	20.3
201.16350	67.2
203.14287	4.6
203.17903	37.3
205.15851	37.1
205.19530	5.3
207.17509	4.3
209.13159	2.8
211.14876	7.4
213.16374	28.9
214.16862	3.3
215.17909	35.8
217.15858	20.1
217.19579	6.7
219.17445	42.4
223.14967	3.6
225.16441	5.0
227.18022	8.7
229.15895	5.4
229.19492	6.0
231.17490	6.3
233.18993	8.3
235.16908	17.0
237.16406	4.0
239.17946	6.2
241.19499	16.8
243.21053	4.9
247.16948	21.9
249.18556	7.0
253.19514	5.6
255.21059	5.5
259.20630	4.1
261.18478	22.2
267.21085	11.1
281.22635	3.3
285.18390	5.4
293.22455	3.8
301.21680	2.5
310.49710	2.6
311.23715	4.0
313.21661	2.6
333.25867	4.4
353.25009	3.3
373.61850	3.0
379.33691	2.9
389.32059	15.7
395.29565	8.8
407.33081	83.4
408.33447	4.8
409.34885	6.1
423.32489	4.2
435.32593	26.6
450.19113	2.8
453.33691	90.3
454.34366	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3356
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05502	11.4
57.07067	6.3
64.28646	0.8
65.03937	1.3
65.79504	1.0
67.05500	19.4
69.07061	22.7
71.04988	1.1
71.08614	2.4
79.05482	10.2
81.07044	36.8
83.04951	0.8
83.08610	10.1
85.10194	1.3
89.13036	0.8
91.05464	13.9
93.07032	21.4
95.04951	2.2
95.08595	43.8
95.51318	1.0
97.06548	2.1
97.10150	3.6
103.05444	1.1
105.07018	37.2
107.08578	35.2
109.06491	2.4
109.10139	36.8
111.08063	1.4
111.11691	2.7
115.05425	1.1
117.06982	6.9
119.08560	32.9
120.08926	0.8
121.06435	1.1
121.10127	27.6
123.08067	2.4
123.11687	15.5
125.09621	1.6
128.06227	3.1
129.07007	6.1
130.07800	1.7
131.08551	21.3
133.10110	27.3
135.08034	1.4
135.11671	16.1
137.13235	5.1
141.06981	2.5
142.07761	4.5
143.08548	14.0
144.09315	2.6
145.10110	27.2
147.08029	1.5
147.11661	25.2
149.09602	2.9
149.13258	11.3
153.05455	0.9
154.07800	1.0
155.02417	1.1
155.08546	9.7
156.09308	2.6
157.10100	18.5
158.10852	1.8
159.08020	1.5
159.11668	32.1
160.12296	1.0
161.09589	1.0
161.13237	17.6
163.11130	2.3
163.14827	5.7
167.08578	2.0
169.10104	10.0
170.10898	1.8
171.11685	14.6
173.13237	16.4
175.11230	2.1
175.14786	14.3
177.09081	1.6
177.12813	1.1
177.16327	10.3
179.08528	1.0
179.10643	0.9
179.14301	1.5
179.17934	0.9
180.09325	1.5
181.10133	3.9
182.10864	1.5
183.11682	8.2
185.13246	9.3
187.11147	1.5
187.14807	11.9
189.16362	11.6
191.10699	1.6
191.14346	2.4
191.17882	5.0
193.10213	1.7
193.12210	1.3
194.10936	1.2
195.11638	6.4
197.13242	8.1
198.14003	1.2
199.14740	7.8
201.09175	1.1
201.12785	2.1
201.16357	14.2
203.10635	2.2
203.14322	2.2
203.17935	14.1
205.12213	3.5
205.15796	2.1
205.19490	2.0
207.11710	1.8
207.17618	1.1
209.11557	1.3
209.13280	5.5
211.14793	5.0
213.12865	1.7
213.16354	7.2
215.10643	1.5
215.17937	7.8
217.12291	2.5
217.15836	1.9
217.19525	3.9
219.13754	2.3
219.17432	1.4
221.13326	1.3
223.14775	3.9
225.16376	3.7
227.14342	1.4
227.17908	4.1
229.12204	2.6
229.19505	6.7
231.13783	3.3
231.17497	2.1
231.21078	3.3
233.11667	1.1
233.15422	2.1
235.14891	1.5
237.16351	3.5
239.17960	6.6
241.15825	1.3
241.19508	2.6
243.13846	2.0
243.21071	3.3
245.15421	2.6
245.22636	3.2
247.16928	2.3
251.17883	2.9
253.19411	2.2
255.13940	2.0
255.21185	1.6
257.15442	3.7
257.22528	1.9
259.16870	5.4
259.24069	1.9
261.14832	1.0
265.19522	1.5
267.21042	1.8
269.15311	1.8
271.17120	1.5
273.14877	2.0
273.18484	2.4
275.16504	4.5
277.19650	1.9
279.21030	1.3
281.22662	2.2
281.26315	1.2
283.17068	1.5
285.15170	2.0
285.18411	12.0
287.16544	2.2
293.22672	1.5
295.16922	1.7
295.24408	1.1
297.18512	3.8
299.20065	2.1
309.18317	1.6
311.20071	1.8
313.18082	1.0
313.21692	1.2
315.19550	2.0
321.25967	1.2
322.10855	1.0
323.19962	1.7
325.21695	2.9
327.23212	1.3
333.25516	1.1
343.22586	2.4
353.24832	1.2
371.25815	1.5
379.26105	1.0
389.31897	5.8
391.33453	2.4
397.27209	1.7
407.33136	11.3
409.34650	1.1
417.31674	2.1
435.26672	1.8
435.32550	33.4
453.33603	100.0
454.33878	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	453.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	16.1
57.07053	5.7
67.05496	20.2
69.07055	20.8
70.25063	9.1
71.67400	2.8
79.05467	18.7
81.07041	52.0
83.04969	23.2
83.08595	9.7
91.05456	25.5
93.06461	3.9
93.07027	53.3
95.04955	8.5
95.08589	87.0
96.36821	2.7
97.06521	3.6
97.10169	6.7
99.08073	2.8
105.07013	61.1
107.08578	77.7
109.06490	8.9
109.09457	3.5
109.10145	46.7
111.08055	9.9
117.06989	8.4
119.08556	100.0
121.06458	3.5
121.09309	4.0
121.10122	57.9
123.08044	4.8
123.11679	28.6
125.09588	11.6
129.06969	4.8
131.08542	36.3
133.10107	70.9
135.11665	27.9
137.09572	6.1
139.07556	2.5
142.49493	2.4
143.08524	16.9
144.09315	4.9
145.10094	69.0
147.11674	35.0
149.09583	4.4
149.13217	19.7
151.11176	8.5
153.09065	6.9
157.10107	15.5
159.11661	60.7
161.13234	29.4
163.14821	15.9
165.12804	3.1
171.11702	12.5
172.12253	4.1
173.13234	38.9
174.13557	2.9
175.14786	40.3
177.08997	3.4
177.12743	3.0
177.16338	19.6
183.11681	5.9
185.13263	9.7
187.14790	73.5
189.16333	58.1
191.14270	13.6
191.17947	23.1
193.15805	4.1
197.13214	4.1
199.14751	18.5
201.16342	72.2
202.16684	4.2
203.14240	5.8
203.17915	28.5
205.15848	83.7
205.19678	3.9
206.16170	3.1
207.17427	6.1
213.16312	28.9
215.17937	37.2
217.15848	10.1
217.19458	9.5
219.17406	54.4
225.16368	3.7
227.17934	7.2
231.17294	5.8
233.18907	10.0
235.16873	26.7
241.19493	7.5
243.20987	5.0
247.16879	14.8
249.18402	4.7
253.19595	2.6
255.21091	5.8
261.18484	11.3
267.20981	10.6
285.43271	2.8
310.56689	3.2
311.23520	4.1
318.85269	2.8
387.03241	2.7
389.31894	12.9
407.33017	94.6
408.33154	4.9
409.34555	7.0
435.32648	16.1
453.33649	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	453.2993
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
53.03917	0.4
55.05490	3.0
57.07041	1.5
59.48069	0.5
65.03902	0.8
67.05494	5.4
68.62138	0.5
69.03381	0.6
69.07059	6.1
69.27311	4.4
69.27721	0.7
79.05473	4.6
81.07043	10.5
83.04963	0.6
83.08605	2.5
91.05456	3.9
93.06478	0.6
93.07027	9.6
95.04932	1.9
95.08591	18.0
97.06457	0.6
97.10132	1.4
103.05412	0.5
105.07013	13.8
107.08578	14.1
108.05709	0.7
109.06477	1.4
109.09438	0.8
109.10137	10.2
111.08038	0.7
111.11676	0.7
117.06992	1.9
119.08563	16.4
121.06477	0.7
121.10126	10.2
122.86316	0.4
123.08052	5.0
123.11674	4.5
125.06013	0.5
125.09621	1.1
125.50585	0.5
126.22157	0.5
127.11178	1.0
128.06183	0.9
129.06979	1.4
131.08557	6.6
132.09254	0.5
133.06450	0.6
133.10110	10.0
135.08014	1.3
135.11665	5.6
137.09560	0.8
137.13208	1.6
139.07529	0.5
142.07759	1.1
143.08549	4.0
144.09276	0.4
145.10101	12.0
147.08069	0.6
147.11658	9.1
149.09590	1.3
149.13249	4.4
151.07518	100.0
152.07875	1.5
155.08530	1.5
156.09337	0.7
157.10088	5.9
158.10870	0.7
159.11658	10.3
159.12836	0.8
160.08792	0.7
161.09589	1.0
161.13242	6.6
163.11198	0.5
163.14795	3.9
165.09103	3.4
165.12950	0.4
169.10129	1.7
171.11673	3.4
173.09587	2.1
173.13261	6.6
173.14720	0.8
175.11174	5.5
175.14796	6.9
177.09010	0.7
177.12683	0.5
177.16391	2.4
179.10641	0.6
179.14279	0.7
182.10744	0.4
183.11678	1.7
185.13243	2.6
187.11214	0.6
187.14787	4.4
189.12752	1.3
189.16359	6.9
190.74345	0.5
191.10658	2.6
191.14413	0.7
191.17856	2.8
193.12241	4.6
195.11678	1.1
197.13216	2.0
199.14761	7.3
200.12056	0.4
201.16347	7.3
203.14351	0.9
203.17928	3.9
205.12309	0.6
205.15897	1.7
207.11732	0.4
207.17427	0.7
209.13306	0.6
211.14824	1.1
213.12854	0.7
213.16344	2.4
215.10608	0.4
215.14674	0.7
215.17926	19.4
216.18330	0.6
217.12231	0.9
217.15926	1.8
217.19562	1.2
219.13980	0.7
219.17433	5.4
221.15305	0.5
223.14819	0.6
225.16429	1.2
227.17964	1.8
229.19496	1.6
231.13779	1.3
231.17484	0.8
231.21320	0.6
233.15463	0.5
233.19051	1.1
235.14795	0.6
235.16917	1.5
237.16386	0.7
239.17929	1.0
241.19498	1.0
243.21147	1.2
245.15359	0.9
245.22496	0.5
247.16934	1.1
253.19452	0.8
255.20943	0.9
257.19562	0.5
257.22519	0.9
259.16904	1.2
261.18475	15.2
261.21204	0.8
263.17841	0.5
265.19592	0.6
267.21112	1.2
269.22595	6.0
271.24185	2.2
279.21185	0.5
285.18402	0.5
289.21716	0.6
297.18674	0.5
297.21994	0.5
299.19885	0.8
303.23212	1.1
311.20450	0.7
315.23325	2.0
325.21716	0.6
389.31900	2.4
407.29266	2.8
407.33856	4.6
417.31799	0.7
425.34076	3.2
435.32675	11.2
448.39941	0.5
453.33807	27.2
454.34088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68333	1.2
53.03933	2.2
55.01874	2.1
55.05498	5.7
56.36447	1.1
57.03429	2.5
57.07053	3.2
59.04978	2.4
59.81235	1.0
65.17337	1.1
66.23833	1.2
67.05487	8.2
69.03425	11.7
69.07062	6.8
70.06575	5.1
70.82734	4.5
71.04980	23.4
73.06543	1.4
79.05470	7.7
81.03404	6.8
81.07051	21.2
83.04961	4.4
83.08607	4.1
85.02883	10.2
85.06519	11.6
87.04469	1.5
91.05450	10.2
93.07032	25.2
95.04956	15.2
95.08588	13.6
97.02900	4.4
97.06511	4.4
97.10168	7.1
98.06102	1.4
99.08095	4.3
99.77192	1.3
101.06001	2.1
105.07019	24.5
107.04945	2.2
107.08585	30.2
109.02875	6.3
109.06514	4.1
109.10139	18.9
110.06077	1.5
111.08058	3.0
112.07582	3.0
115.05379	1.5
117.07015	2.0
119.08562	12.3
121.02812	1.8
121.06517	2.2
121.10124	66.6
122.10462	2.2
123.04417	13.2
123.08024	3.2
123.11690	5.0
124.07589	2.6
125.09607	45.0
127.03903	5.7
127.11171	13.1
131.08556	7.2
133.10109	68.0
134.10458	1.6
135.04419	1.5
135.08084	2.7
135.11650	7.0
136.07526	6.5
137.06021	2.9
137.09613	8.1
139.03882	2.5
139.11157	1.9
140.07108	2.2
141.09090	3.8
143.10652	100.0
144.11006	1.9
145.04970	3.2
145.10085	10.3
147.04384	2.0
147.11655	12.3
149.13246	8.0
151.03838	1.6
151.07524	1.9
151.11157	11.6
152.07106	2.2
153.12720	2.8
159.11667	13.8
161.13248	5.5
163.11197	2.3
164.07074	5.8
165.05528	2.8
165.09074	5.6
167.06995	6.9
171.47820	1.2
173.13263	2.2
175.14862	2.6
177.12656	1.5
177.16393	1.9
179.05238	2.0
189.16357	26.0
189.18054	1.5
191.17860	2.0
193.15874	1.7
201.16342	12.8
205.08414	1.4
206.04500	4.0
207.04813	3.5
207.17398	13.1
217.08617	5.2
219.17409	39.4
220.17813	1.7
225.18460	5.0
237.16017	2.2
237.18446	43.0
238.18805	3.5
247.09697	2.7
255.19519	41.9
256.19958	2.6
273.20578	18.8
289.07065	1.6
291.13168	1.6
291.18890	2.0
291.21680	7.7
371.14984	2.0
381.26669	1.4
383.14868	6.0
399.23715	3.8
414.36865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1387
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03951	0.6
55.01857	1.2
55.05500	1.6
57.03423	1.6
60.11879	0.5
61.02919	1.3
63.87645	0.7
64.96730	0.5
65.03938	0.9
67.05496	2.0
68.99777	1.6
69.03419	4.5
69.07059	0.9
71.04965	1.8
71.62254	1.3
71.99785	0.5
73.02896	1.3
74.20747	0.6
79.05491	1.0
79.97891	0.6
81.03404	2.5
81.07038	2.3
83.04963	1.2
84.08098	0.6
85.02412	1.1
85.02897	11.3
85.06528	0.8
85.32001	0.6
91.05465	2.1
93.03370	0.6
93.07035	1.4
95.04958	2.4
95.08588	1.0
97.02873	4.3
105.03368	2.9
105.07043	1.2
107.04932	2.4
107.08591	1.7
109.02851	2.1
109.05207	0.6
109.06530	1.3
109.10165	1.2
111.04432	2.8
111.08085	1.0
113.03468	2.1
115.28423	0.5
119.04949	4.9
121.02850	1.1
122.06034	0.6
123.04414	52.4
124.04748	0.8
125.09602	1.5
127.03909	4.4
133.10178	0.8
135.04454	1.5
136.03860	0.6
136.07555	1.1
137.05972	2.8
138.09155	0.7
139.03889	100.0
140.04250	1.7
143.04906	0.9
143.10640	0.8
145.04926	2.3
147.04399	14.1
149.02309	3.0
150.02705	1.0
151.02881	0.6
151.03902	3.8
151.11191	1.2
153.01813	3.9
153.07248	0.7
154.02164	1.2
155.02238	1.0
159.97513	0.6
161.05983	2.0
163.03877	4.9
164.07085	1.0
165.05476	12.3
169.05078	0.6
169.12175	0.8
171.14215	0.6
177.05533	1.4
179.07065	0.8
181.04948	1.4
187.13347	1.4
189.05473	1.3
205.04921	1.4
207.06563	3.0
215.06978	1.4
216.07411	1.1
217.07684	1.3
219.17525	0.6
237.18571	1.5
243.06554	1.7
244.06796	1.3
245.07059	1.1
259.15591	0.7
273.07559	11.4
283.08218	0.9
284.67419	0.6
289.07159	1.0
290.07294	1.0
291.08594	17.5
291.13275	3.9
301.09406	1.0
303.08749	0.7
315.08762	0.7
435.12769	1.2
453.13412	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	453.1382
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.28602	0.4
53.03927	0.9
55.01859	2.0
55.05491	0.4
57.03414	1.6
57.03677	0.4
61.02907	3.0
63.91573	0.4
65.03922	1.3
67.05482	1.4
68.99781	1.5
69.03419	8.1
69.07077	0.3
69.91880	2.3
70.03786	0.4
70.06575	0.5
71.04982	0.8
73.02905	1.0
79.05476	0.6
81.03404	4.8
81.07039	0.8
83.01357	0.4
83.04960	1.1
84.08123	0.5
85.02888	21.1
85.06520	1.6
87.04449	1.1
91.03946	1.4
91.05473	3.8
92.05779	1.1
93.03389	0.6
93.07024	0.8
95.04957	2.8
97.02864	7.1
97.06536	0.4
99.04447	1.2
105.03391	0.6
107.04927	1.4
109.02856	3.0
111.04432	2.5
115.05437	0.5
119.04924	3.9
119.08620	0.4
121.02835	1.5
123.04404	52.6
124.04738	0.9
127.03893	6.2
133.06497	0.5
133.10161	0.5
135.04385	1.5
136.07582	0.9
137.05949	1.6
139.03874	100.0
140.04344	1.3
143.04904	0.7
143.10660	0.5
145.04910	3.8
147.03195	0.9
147.04375	15.1
151.03894	4.3
151.11154	0.6
153.05420	1.8
155.06938	0.7
161.05972	2.6
163.03873	3.5
164.07123	0.7
165.05444	15.7
169.04948	1.5
177.05400	1.1
181.04922	1.7
182.08043	0.5
189.05515	1.4
199.06094	0.8
200.06288	1.1
205.04982	0.9
207.06487	2.5
237.18504	0.8
249.07410	0.4
273.07471	5.7
273.12189	2.1
274.09964	0.5
283.08316	0.4
285.07452	0.5
291.08545	17.0
291.13345	5.8
291.19308	0.5
292.09076	0.6
301.09058	0.5
302.10052	0.8
369.09476	0.5
453.18921	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1388
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02384	0.5
53.03930	0.8
55.01859	1.9
55.05497	1.2
57.03413	1.3
61.02908	1.5
65.03927	1.0
67.05488	1.7
67.63062	0.4
68.99766	1.0
69.03424	4.1
69.07038	0.4
69.53412	1.8
69.53835	1.8
71.01337	0.6
71.04984	0.7
73.02887	0.5
78.26324	0.4
81.03407	2.4
81.07050	1.1
83.04952	1.3
83.08608	0.5
83.39082	0.4
84.04492	0.5
85.02421	0.8
85.02897	11.8
85.06526	0.8
88.14820	0.4
91.03947	0.4
91.05470	2.3
93.03415	0.6
93.07033	0.9
95.04969	3.2
97.02871	4.5
98.20650	0.9
99.04433	1.2
103.03942	0.5
105.03381	0.5
105.06987	1.0
107.04948	2.1
107.08588	0.5
109.02874	2.9
111.04432	1.9
111.08048	1.2
115.05379	0.5
119.04930	4.8
119.08540	0.5
121.02866	1.0
121.06474	0.9
122.05997	0.5
123.04415	62.1
124.04720	0.8
125.09575	0.6
127.03890	5.0
128.93201	0.4
129.09033	0.5
132.10156	0.5
135.04384	3.1
136.07562	0.6
137.02333	0.8
137.05949	1.1
139.03886	100.0
140.04283	1.5
143.04900	0.6
143.10674	0.6
145.04910	2.5
145.10089	0.6
147.04391	19.3
149.06012	0.7
151.03909	6.2
153.05423	1.8
155.06944	0.5
161.05966	5.9
163.03879	10.4
164.07037	1.8
165.05460	16.1
165.06871	0.9
167.03491	0.5
167.07051	0.5
169.04930	1.6
175.03793	1.1
177.05458	2.5
179.07045	1.5
181.04918	2.9
182.08092	1.0
189.05438	2.6
193.04997	0.9
201.05438	0.5
203.06866	0.5
205.04970	2.4
205.08682	0.5
206.08139	1.1
207.06522	5.4
209.15350	0.5
217.05043	0.9
218.08061	0.8
229.05067	0.6
235.06033	1.4
237.18474	1.3
245.12938	0.5
247.06032	1.9
249.07524	0.7
259.06018	0.5
265.07098	1.0
273.07584	3.1
273.12350	1.3
277.06833	0.4
283.08041	1.2
284.57581	0.5
285.07507	1.1
289.06873	0.5
291.08606	29.1
291.13370	4.6
291.19098	0.6
292.08780	0.9
301.09332	1.0
303.08334	0.6
315.08603	1.6
351.99915	0.5
352.98056	0.5
369.09445	0.8
381.09531	0.6
399.10510	0.5
435.18124	0.7
453.17969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.7
54.91137	2.9
55.01851	6.2
55.05489	10.4
57.03414	10.4
58.12281	3.0
59.04971	3.4
67.05504	19.7
69.03422	22.2
69.07047	13.5
71.04979	67.6
71.61754	4.3
72.05304	10.8
75.04476	4.5
79.05474	29.4
81.03404	22.3
81.07043	63.3
83.04955	11.9
83.08588	6.3
85.02885	47.9
85.06528	10.6
86.03228	7.5
87.03334	3.5
87.04458	4.4
88.74284	3.0
91.05468	37.5
93.07032	82.3
94.07305	3.5
95.04945	17.3
95.08598	22.1
96.05214	2.9
97.02866	14.8
97.06505	11.2
97.34899	4.1
99.04405	3.6
99.08070	13.4
103.03948	3.8
105.07013	32.6
107.04893	4.6
107.08582	41.4
109.02876	13.9
109.06496	12.1
109.10123	26.1
109.47575	3.5
111.08076	6.1
119.04945	21.0
119.08565	27.5
121.02831	9.0
121.06471	6.4
121.10118	75.1
121.11010	3.9
121.48192	3.3
122.02705	10.7
123.04399	8.8
123.08096	6.8
123.11678	9.6
124.07593	5.9
125.07859	3.7
125.09611	18.7
127.03896	11.4
127.07542	4.5
127.11171	33.6
129.05379	4.4
131.08539	10.9
133.10117	48.1
135.08031	4.5
135.11690	7.4
137.05966	18.1
137.09578	22.0
138.06270	6.1
139.11147	9.7
139.35405	3.2
142.08597	3.8
143.10648	22.6
145.02806	10.0
145.04973	5.5
145.10095	28.7
146.03146	6.3
147.04391	25.1
147.11652	12.7
149.09599	21.7
149.13194	5.1
151.11133	38.4
153.05479	3.5
155.10625	15.8
157.10135	5.8
159.10143	11.7
159.11627	15.0
161.13304	5.3
163.11232	5.0
165.05473	3.7
165.09111	9.9
167.07027	3.8
167.10635	27.2
169.08611	3.9
171.11623	4.3
175.03880	43.5
177.05420	24.8
178.05760	10.3
178.87076	4.0
179.07042	5.7
201.16371	13.7
207.06514	75.1
213.16365	4.6
219.17416	25.3
228.13158	5.3
237.18465	100.0
238.18816	5.7
255.19519	9.6
289.06039	4.5
290.06311	6.9
290.24084	3.6
291.13248	8.6
293.13824	5.9
295.20508	10.8
303.04968	10.2
304.05276	31.8
305.05536	35.8
306.05734	52.3
311.14828	24.6
313.21481	4.1
351.10617	4.1
361.17126	3.5
369.11920	7.1
434.23297	3.7
452.16220	4.9
452.22845	5.0
453.17511	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	452.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01852	0.5
57.03428	0.7
61.15078	0.4
65.03922	0.9
69.03415	4.6
69.94395	1.0
69.94802	2.3
71.04965	0.5
81.03403	7.2
85.02888	5.4
89.06035	0.7
93.07045	0.5
95.04944	6.4
95.24001	0.5
97.02870	5.3
98.68832	0.5
99.04421	1.3
107.04933	0.8
109.02868	3.4
111.04417	1.5
117.05424	0.5
121.02842	100.0
122.03182	1.6
123.04390	3.3
125.06044	0.5
127.03864	2.9
127.07553	0.6
132.95816	0.5
133.10107	0.4
137.05975	2.6
138.74681	0.5
139.03879	25.9
145.04913	1.5
147.04385	1.5
149.02319	1.4
151.03839	0.5
153.01813	1.5
161.05916	0.5
163.03807	0.6
163.07449	0.5
165.05437	0.8
167.07018	0.6
179.07108	0.6
216.07237	1.1
234.98897	0.6
243.06334	0.7
244.06868	1.0
247.06036	1.4
255.12280	0.6
265.06992	9.5
272.06268	0.9
283.08072	33.8
284.08389	0.5
286.32217	0.5
287.05261	0.5
288.05600	0.5
290.07187	1.0
291.08359	0.8
344.66483	0.5
444.71399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.7
54.91137	2.9
55.01851	6.2
55.05489	10.4
57.03414	10.4
58.12281	3.0
59.04971	3.4
67.05504	19.7
69.03422	22.2
69.07047	13.5
71.04979	67.6
71.61754	4.3
72.05304	10.8
75.04476	4.5
79.05474	29.4
81.03404	22.3
81.07043	63.3
83.04955	11.9
83.08588	6.3
85.02885	47.9
85.06528	10.6
86.03228	7.5
87.03334	3.5
87.04458	4.4
88.74284	3.0
91.05468	37.5
93.07032	82.3
94.07305	3.5
95.04945	17.3
95.08598	22.1
96.05214	2.9
97.02866	14.8
97.06505	11.2
97.34899	4.1
99.04405	3.6
99.08070	13.4
103.03948	3.8
105.07013	32.6
107.04893	4.6
107.08582	41.4
109.02876	13.9
109.06496	12.1
109.10123	26.1
109.47575	3.5
111.08076	6.1
119.04945	21.0
119.08565	27.5
121.02831	9.0
121.06471	6.4
121.10118	75.1
121.11010	3.9
121.48192	3.3
122.02705	10.7
123.04399	8.8
123.08096	6.8
123.11678	9.6
124.07593	5.9
125.07859	3.7
125.09611	18.7
127.03896	11.4
127.07542	4.5
127.11171	33.6
129.05379	4.4
131.08539	10.9
133.10117	48.1
135.08031	4.5
135.11690	7.4
137.05966	18.1
137.09578	22.0
138.06270	6.1
139.11147	9.7
139.35405	3.2
142.08597	3.8
143.10648	22.6
145.02806	10.0
145.04973	5.5
145.10095	28.7
146.03146	6.3
147.04391	25.1
147.11652	12.7
149.09599	21.7
149.13194	5.1
151.11133	38.4
153.05479	3.5
155.10625	15.8
157.10135	5.8
159.10143	11.7
159.11627	15.0
161.13304	5.3
163.11232	5.0
165.05473	3.7
165.09111	9.9
167.07027	3.8
167.10635	27.2
169.08611	3.9
171.11623	4.3
175.03880	43.5
177.05420	24.8
178.05760	10.3
178.87076	4.0
179.07042	5.7
201.16371	13.7
207.06514	75.1
213.16365	4.6
219.17416	25.3
228.13158	5.3
237.18465	100.0
238.18816	5.7
255.19519	9.6
289.06039	4.5
290.06311	6.9
290.24084	3.6
291.13248	8.6
293.13824	5.9
295.20508	10.8
303.04968	10.2
304.05276	31.8
305.05536	35.8
306.05734	52.3
311.14828	24.6
313.21481	4.1
351.10617	4.1
361.17126	3.5
369.11920	7.1
434.23297	3.7
452.16220	4.9
452.22845	5.0
453.17511	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	451.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33087	1.5
53.03934	4.7
55.01862	4.0
55.05507	20.2
57.03444	1.6
57.07068	7.1
61.96402	1.5
65.03918	2.5
66.08783	1.7
67.05496	24.9
69.03432	6.0
69.07059	23.6
69.48008	7.8
69.48438	6.5
71.04977	1.8
79.05487	27.1
81.03401	3.0
81.07048	57.0
81.07511	3.5
83.04974	20.6
83.08602	10.3
85.02911	4.0
85.06532	3.5
85.72259	1.4
91.05465	33.1
93.07034	53.4
93.07615	2.9
95.04958	9.9
95.08597	68.3
97.02872	1.6
97.05916	2.2
97.06524	26.5
97.10157	4.7
99.08115	2.0
103.05427	3.0
105.03423	1.6
105.07020	79.8
107.04963	3.1
107.08579	76.3
109.06503	16.2
109.10136	45.1
110.10500	1.7
111.04475	2.1
111.08038	8.5
111.11751	2.0
113.68138	1.5
115.05408	3.1
117.07001	13.0
119.08568	100.0
120.08891	2.1
121.06523	4.4
121.10133	59.4
123.04447	3.1
123.08068	6.4
123.11687	21.8
125.05993	2.1
125.09618	16.2
127.07540	7.7
128.06250	4.4
129.06964	9.9
130.07793	1.6
131.08559	50.2
133.06499	2.4
133.09094	2.9
133.10110	60.4
135.04457	3.1
135.08011	3.2
135.11682	26.7
137.05994	7.1
137.09630	6.7
137.13272	4.0
141.07074	3.3
142.07808	4.5
143.08553	25.9
144.09360	4.6
145.02870	2.4
145.10106	73.5
146.10481	1.7
147.04401	4.9
147.08073	2.6
147.10498	2.8
147.11647	34.3
149.05927	1.7
149.09613	5.0
149.13242	12.6
151.03932	1.8
151.11157	9.4
153.09134	1.9
153.12810	1.8
155.08530	7.8
156.09358	5.0
157.10107	27.9
158.10945	4.2
159.11670	53.0
161.09599	4.0
161.13232	30.4
163.03957	13.6
163.07581	3.1
163.11205	3.3
163.14804	13.2
164.07033	1.6
165.12721	3.7
165.16437	1.8
169.10095	11.3
170.10829	3.7
171.11676	27.6
172.12379	4.0
173.02361	4.0
173.09639	2.2
173.13240	40.1
173.14645	2.9
175.11195	2.1
175.14815	31.3
177.09090	4.3
177.12766	3.2
177.16354	9.1
179.14221	2.9
181.10126	4.8
182.10971	2.4
183.11661	12.6
184.12483	3.9
185.13245	30.5
186.13853	2.4
187.14801	61.2
189.16341	24.7
189.17844	2.1
191.03395	1.7
191.10860	2.2
191.14285	15.4
191.17882	4.0
193.15964	5.1
195.11725	4.6
196.12486	2.6
197.13246	15.1
198.13976	2.8
199.11211	1.8
199.14786	38.8
201.16368	53.1
203.14351	5.3
203.17958	4.5
205.15839	23.5
207.11812	2.3
207.17484	1.9
209.13309	6.4
211.14748	18.2
211.16458	1.9
213.12999	2.1
213.16351	51.8
213.18335	3.1
215.07062	8.2
215.14369	4.2
215.17943	16.6
217.15877	9.8
219.13922	2.9
219.17439	22.2
223.14873	2.9
225.16399	6.3
227.14354	3.0
227.17915	7.6
229.15878	5.8
229.19540	3.1
231.13831	2.4
231.17447	9.2
233.15439	3.5
233.19113	3.6
237.16446	5.6
239.17926	10.5
241.15839	3.2
241.19522	9.8
242.80309	1.7
243.17470	3.1
245.15462	9.6
245.19040	1.9
247.17030	2.4
251.17987	3.8
253.19444	11.2
255.21165	4.0
257.15524	2.2
259.09619	27.9
259.16888	19.6
260.09970	2.1
263.17865	2.2
265.19598	6.8
267.21063	14.3
269.18893	1.8
271.16864	1.7
279.21054	3.6
281.22620	3.3
285.18484	2.4
287.19986	1.8
293.22598	2.7
297.21945	2.3
299.20172	2.9
317.22815	2.2
319.24188	2.1
335.23752	2.0
338.16940	1.8
347.27377	3.1
387.30594	7.2
389.31989	3.1
393.27768	2.4
405.31488	71.5
407.33047	10.2
415.30060	2.2
421.31091	3.3
423.32678	2.3
433.31088	22.0
451.32135	76.2
452.32355	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	451.3201
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05504	14.9
57.07058	3.3
65.03931	2.4
67.05498	19.2
69.03426	3.3
69.07057	15.1
70.87807	4.8
70.88145	2.3
74.71278	1.8
79.05478	17.9
81.03378	2.8
81.07047	45.8
83.04972	18.8
83.08608	7.8
89.85768	1.6
91.05474	24.2
93.07025	48.7
95.04960	5.7
95.08593	53.0
97.02867	2.0
97.06535	3.9
105.07015	55.3
107.08577	70.9
107.09280	3.6
109.02769	2.1
109.06503	10.1
109.10140	34.0
111.08077	7.7
115.05473	2.0
117.07014	11.3
119.08565	70.4
121.10122	42.9
123.08063	5.4
123.11691	17.7
125.09652	8.6
128.06198	2.4
129.07008	7.1
131.08545	28.4
133.06508	2.2
133.10121	38.9
133.11073	3.5
135.08090	3.8
135.11694	17.1
137.09586	6.9
137.13271	4.1
139.11131	1.7
141.06963	3.1
142.07791	4.8
143.08536	22.3
144.09276	2.3
145.10100	59.9
147.04312	1.9
147.08101	3.0
147.11662	29.8
149.09596	4.3
149.13217	15.2
151.11195	5.3
153.01814	2.1
155.08542	7.7
156.09390	6.2
157.10110	27.8
158.10764	2.7
159.11670	27.6
161.09615	2.7
161.13239	15.2
163.03918	2.3
163.11217	2.6
163.14796	13.5
164.59904	2.3
165.12733	9.3
169.10126	16.4
170.10951	3.3
171.11646	29.7
173.09583	2.4
173.13225	30.1
175.11227	3.4
175.14803	36.9
175.16219	2.3
177.09087	3.2
177.12804	5.0
177.16356	9.4
181.10146	4.3
183.11687	12.4
185.13216	13.4
187.14789	30.6
189.12808	2.3
189.16364	11.1
191.14297	5.2
193.15933	3.1
195.11674	5.9
197.13181	10.7
199.14777	20.5
201.16347	19.6
203.10762	2.6
203.14340	4.8
203.17937	9.6
205.15948	8.9
207.11809	4.7
209.13255	6.9
211.14784	9.2
213.16360	21.9
215.14482	4.0
215.17946	11.7
217.12251	3.1
217.15913	8.6
219.13805	2.4
219.17528	3.0
221.13255	4.1
223.14807	7.2
225.16414	8.9
227.17935	6.0
229.15985	3.8
229.19666	2.6
231.17511	7.4
233.13098	2.3
233.15488	2.4
235.14819	2.5
237.16273	4.5
239.17914	6.8
241.19481	27.7
243.21121	7.7
245.15393	4.3
247.17000	4.3
249.16487	2.3
251.17920	2.8
253.15880	3.6
253.19582	8.6
255.21149	5.8
259.16953	4.6
259.20618	2.5
263.18085	2.6
265.19485	3.5
267.21091	7.5
283.20462	2.5
285.18512	3.6
287.20242	2.9
299.19955	2.9
309.22070	4.3
339.19608	3.0
363.27029	2.6
387.30777	9.3
389.32370	2.2
393.27881	4.8
405.31506	74.1
406.32330	2.8
407.33060	16.3
433.31082	21.6
451.32144	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	451.3201
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03933	2.7
55.05504	9.3
65.03939	1.5
67.05501	13.0
69.07061	13.8
69.27702	12.5
69.28125	5.1
70.53909	1.6
72.52381	1.4
79.05491	12.9
80.96813	1.5
81.07052	27.8
83.04975	2.9
83.08613	5.1
91.05478	17.8
93.07043	32.5
95.04971	4.5
95.08595	43.2
97.06545	3.3
97.10155	2.4
98.20690	3.5
103.05453	2.2
105.07020	35.2
105.07671	3.0
107.08583	38.4
109.06491	4.2
109.10158	24.7
115.05447	1.6
117.06999	7.5
119.08570	61.9
121.06525	3.7
121.10139	34.1
123.08032	3.8
123.11683	11.0
128.06216	4.3
129.07007	6.6
131.08556	24.4
133.10121	45.0
135.08034	3.4
135.11659	18.3
137.09634	2.1
137.13261	3.4
139.11220	1.8
141.07011	3.1
142.07759	7.4
143.08577	19.0
144.09285	1.9
145.10109	38.3
147.08066	4.3
147.11682	27.7
149.13255	10.4
151.07506	2.2
151.11139	2.4
155.08530	7.5
156.09312	9.9
157.10106	28.9
158.10770	2.2
159.07990	3.3
159.11682	28.3
161.09630	5.7
161.13255	25.3
163.11159	2.9
163.14772	7.3
165.12729	1.9
167.08414	2.4
169.10118	11.5
170.10861	5.4
171.11691	24.8
173.09634	3.7
173.13235	31.9
175.11174	4.2
175.14816	16.7
175.21593	1.5
177.12747	3.4
177.16394	10.0
179.14340	1.8
181.10123	3.6
182.10982	1.9
183.11668	15.2
185.13260	22.8
187.11250	2.5
187.14795	19.9
189.11325	1.8
189.12674	9.2
189.16415	17.0
191.14290	19.7
191.17964	3.6
193.15813	2.5
195.11725	5.3
196.12563	2.0
197.13268	17.3
199.14839	19.9
201.12729	5.0
201.16319	9.5
203.14288	13.5
203.17976	8.5
205.12283	1.4
205.16138	1.7
207.11771	3.6
207.13770	2.8
209.13268	6.8
211.14828	8.2
213.16357	14.9
213.36807	1.6
215.14383	11.6
215.17918	12.3
217.15883	9.9
217.19464	2.8
217.73589	1.9
219.13876	2.2
221.13214	2.2
221.15324	2.2
223.14879	1.8
225.16423	8.1
227.17944	4.9
229.15808	7.4
229.19518	3.0
231.17410	6.5
235.14822	3.2
235.16919	3.0
237.16409	7.5
238.16554	2.1
239.18005	6.4
239.90492	1.6
241.19455	7.4
243.21104	3.0
247.16994	3.9
249.16292	2.8
249.18616	2.2
251.17981	6.1
253.19536	8.1
255.21051	2.8
257.18930	2.6
259.16992	5.9
261.18509	5.5
263.18063	3.0
267.21027	12.2
270.87241	1.6
279.21027	4.1
285.18732	3.2
285.22171	3.5
287.20053	2.2
291.21063	4.7
297.18536	7.7
299.20078	10.5
309.22058	10.1
311.20001	3.3
313.21680	4.3
327.23178	1.9
331.23984	2.3
375.30423	5.8
387.30399	11.5
405.31500	36.5
421.30936	25.0
423.32492	6.6
433.31058	24.5
451.32077	100.0
452.32364	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3196
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03938	1.6
55.05493	9.6
57.07059	2.7
62.04380	1.1
67.05494	10.6
69.03420	1.5
69.07051	12.1
70.01644	5.4
79.05478	10.3
81.07047	27.8
83.04960	5.1
83.08603	4.9
85.06503	1.3
91.05463	14.9
93.07030	25.8
95.04959	2.3
95.08588	30.6
97.06509	2.7
97.10143	3.1
98.20739	1.4
105.07015	37.3
107.08578	34.4
109.06506	3.3
109.10141	18.4
111.08040	1.8
115.05399	1.8
117.06981	6.6
119.08562	59.5
121.06489	4.3
121.10123	24.9
123.08035	3.6
123.11649	7.2
125.09601	1.4
129.06993	5.2
131.08542	21.4
133.10101	36.6
135.08043	3.3
135.11676	10.2
137.13246	2.5
141.06956	2.1
142.07773	8.8
143.08519	13.3
144.09296	2.6
145.10088	39.7
147.08064	2.3
147.11670	26.9
149.09596	4.5
149.13216	10.8
151.11130	3.6
155.08510	6.8
156.09337	7.4
157.10095	28.6
157.11304	2.3
158.10802	2.4
159.08089	2.1
159.11667	32.9
159.12982	1.9
161.09624	5.7
161.13231	19.2
163.11153	4.0
163.14806	12.7
165.12740	2.0
167.08582	2.2
169.10077	11.7
170.10918	5.2
171.11656	23.3
172.12492	1.3
173.09615	2.9
173.13226	29.1
175.11201	3.1
175.14804	23.7
177.12776	3.6
177.16359	10.1
179.14293	2.6
181.10109	4.3
182.10869	2.3
183.11659	10.7
184.07196	1.6
184.12402	3.8
185.13223	20.4
187.11252	2.8
187.14792	33.7
187.16426	2.4
189.12715	4.6
189.16351	27.8
191.14299	5.8
191.18011	1.5
193.10115	1.4
193.15871	2.4
195.11685	4.5
196.12431	2.2
197.13283	12.0
198.13927	1.5
199.14774	23.5
201.12767	2.2
201.16353	19.4
203.10617	1.4
203.14336	11.7
203.16031	1.5
203.16373	1.5
203.17905	11.5
205.15881	3.5
207.11746	2.0
209.13316	3.8
211.14743	10.3
212.77716	1.2
213.16330	14.4
215.14369	8.0
215.17899	13.8
216.15060	1.3
217.15880	14.2
219.13699	2.6
219.17358	1.9
221.13280	1.9
223.14806	2.6
225.16339	7.6
227.17941	7.0
229.15874	8.5
229.19530	2.9
231.17439	7.9
233.13092	1.3
233.15363	1.6
235.14816	2.1
235.16971	3.7
237.16313	7.3
239.17886	11.3
241.19504	5.3
243.17377	3.1
245.15265	2.2
247.16898	3.1
247.65358	1.3
249.16434	1.4
251.17978	4.9
253.19557	5.6
255.17378	2.0
255.20990	2.7
257.18994	2.5
259.16998	5.0
261.18567	3.8
265.19446	1.6
267.21118	5.7
269.19037	1.5
273.18524	2.1
279.21140	2.7
281.22638	2.0
297.18600	1.7
299.20154	3.5
303.21429	1.3
309.22107	1.9
331.24188	1.8
335.23804	1.6
345.25897	1.6
349.25311	1.8
367.26648	1.7
375.30713	3.4
377.32217	1.7
387.30383	9.7
395.10577	1.6
405.31522	39.3
406.31549	1.9
407.33020	3.9
421.31042	15.8
421.36319	1.9
423.32687	4.3
433.30978	24.6
433.36606	2.3
434.31311	2.0
451.32068	100.0
452.32416	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3201
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
53.03938	1.4
55.05504	7.4
57.07060	4.1
59.47811	0.8
60.24175	0.8
65.03952	0.9
67.05497	13.1
69.07058	14.9
69.53357	7.5
77.35849	0.8
79.05481	8.8
81.07046	21.0
83.04976	1.4
83.08610	6.6
83.09026	0.9
85.06522	1.7
91.05463	11.3
92.95551	0.7
93.07027	16.0
95.04980	1.7
95.08590	28.1
97.06506	1.0
97.10205	2.4
99.08067	1.2
103.05463	0.8
105.07019	22.3
107.08579	21.3
107.09264	1.3
109.06539	2.7
109.10142	25.5
110.10542	0.8
111.08073	1.2
114.21806	0.8
117.07000	6.3
119.08560	24.7
121.06538	0.9
121.10126	18.1
123.08067	2.1
123.11682	7.2
125.06015	1.2
128.06245	1.5
129.06967	5.1
130.07817	1.4
131.08546	14.2
133.10100	19.4
133.11032	1.4
135.08046	2.1
135.11682	8.4
137.05975	0.9
137.09692	0.8
137.13240	4.4
141.05470	1.1
141.06995	2.3
142.07779	4.7
143.08528	13.4
144.09358	2.0
145.10094	23.5
147.08032	0.9
147.11668	10.8
149.09659	2.2
149.13222	7.0
151.07523	1.2
151.14862	1.4
153.06982	0.9
154.07747	1.5
155.08522	8.9
155.09637	0.7
156.09402	2.2
157.10103	17.1
157.11282	1.3
158.10857	1.0
159.08080	1.2
159.11658	16.7
159.12967	1.0
160.66245	0.8
161.09633	1.5
161.13245	8.1
163.07558	1.0
163.11206	1.5
163.14781	5.7
165.16357	1.0
167.08557	4.0
168.09338	1.9
169.10107	10.8
170.10962	1.9
171.11652	11.3
173.09706	1.1
173.13246	11.0
173.14413	1.0
175.11264	1.6
175.14784	8.0
177.09187	1.1
177.12775	1.7
177.16353	4.3
179.08600	2.3
180.09334	1.6
181.10077	4.6
182.10867	1.8
183.11667	9.0
185.09621	1.1
185.13223	8.8
185.14601	0.9
187.11208	1.7
187.14795	20.4
187.16362	1.2
189.16411	5.1
191.17992	1.7
193.10168	3.6
194.11052	1.1
195.11670	8.7
196.12392	1.1
197.09666	1.2
197.13237	7.5
199.11208	1.7
199.14790	8.0
201.09254	1.3
201.12775	1.7
201.16345	8.1
203.10663	1.8
203.17941	2.8
205.10254	1.5
205.12411	0.9
205.19559	1.0
207.11703	4.1
208.12592	1.3
209.13248	8.8
211.14792	6.3
213.12900	1.6
213.16371	5.4
215.10706	1.7
215.14368	2.0
215.18015	3.2
217.12352	1.5
217.16014	1.0
217.19562	1.0
219.11818	1.8
221.13326	3.6
222.13921	0.9
223.14796	5.6
224.15681	1.2
225.16463	3.3
227.17989	3.2
229.12337	1.1
229.19609	3.6
231.13858	2.3
233.13437	1.8
235.14842	2.9
237.16470	3.2
239.18015	3.2
241.19611	2.7
243.13878	1.2
243.17488	1.2
243.21051	2.5
247.14972	1.1
249.16550	2.9
251.12651	1.0
251.18102	3.4
253.19704	1.8
255.13840	2.1
255.21158	1.7
257.15463	2.2
257.22754	1.2
261.16443	2.3
263.18082	2.7
265.19684	2.4
267.13925	2.2
267.21149	1.7
269.15265	4.4
269.22675	1.4
271.13379	1.4
271.17014	0.9
272.15112	1.0
275.18173	1.7
277.14343	1.7
277.19589	2.4
281.15445	1.3
281.22620	2.8
283.17020	1.7
285.14902	1.1
287.16547	2.6
293.22650	1.4
295.17047	2.5
295.20819	1.0
299.16638	1.0
301.17953	1.2
309.18646	1.9
317.22589	2.0
323.20306	1.2
325.18158	1.7
325.21643	1.7
339.19681	3.9
341.21255	1.2
349.21509	1.6
351.23108	1.4
359.27402	1.4
363.23264	1.6
369.24298	1.4
377.24863	3.2
381.24463	1.8
387.30417	5.8
389.31903	3.9
395.25684	3.9
405.31689	9.1
415.30353	2.1
433.30981	30.2
434.31503	1.6
451.32269	100.0
452.32697	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	451.3199
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03934	2.8
53.87748	1.5
55.05503	16.8
57.07064	4.6
57.18882	1.4
62.48641	1.4
65.03922	2.8
65.12006	1.4
67.05497	23.1
67.05833	2.9
69.03412	5.1
69.07054	14.9
69.52099	3.9
69.52506	8.9
69.55687	1.3
71.04980	2.0
79.05489	21.7
80.51666	1.4
81.07045	58.2
81.07511	3.2
83.04962	20.2
83.08598	9.6
85.06516	1.8
91.05467	27.3
93.07027	42.6
95.04947	12.6
95.08588	52.5
97.06520	3.1
97.10149	3.7
99.08089	2.8
103.05502	2.0
105.07013	58.7
107.08574	56.7
107.09270	3.3
108.08929	1.6
109.06503	12.7
109.10138	34.2
109.10816	2.8
111.08054	9.1
115.16577	1.4
117.07026	9.8
119.08561	74.3
121.10123	38.4
121.11002	1.8
122.10509	1.6
123.08080	5.0
123.11680	16.7
125.05973	1.7
125.09609	9.9
127.07553	8.2
128.06216	2.3
128.70627	1.6
129.06979	9.2
130.07777	2.9
131.08545	35.6
131.09494	2.0
133.06476	1.6
133.10109	44.7
133.11063	2.8
135.08051	3.1
135.11659	20.9
137.09642	5.9
137.13269	4.3
141.06943	3.7
142.07790	5.3
143.08540	24.0
144.09348	4.4
145.05348	1.4
145.10104	58.2
145.11275	2.8
147.08009	2.1
147.11671	27.7
149.02403	2.0
149.09607	5.6
149.13220	12.4
151.07532	2.0
151.11192	6.9
155.08543	7.5
156.09373	4.2
157.10101	27.3
158.10912	2.4
159.07988	2.3
159.11667	49.6
161.09631	3.7
161.13234	31.3
163.07603	2.1
163.11163	3.6
163.14812	11.7
165.12686	2.4
168.09357	1.7
169.10080	9.9
170.10936	3.6
171.11656	26.7
172.12550	1.9
173.09651	2.9
173.13237	36.4
173.14656	2.5
175.11176	3.1
175.14786	18.9
177.09082	3.5
177.12773	2.9
177.16425	7.0
181.10135	4.3
182.10867	2.0
183.11655	12.2
184.12430	2.6
185.09691	2.0
185.13226	34.6
186.13736	1.6
187.11105	1.6
187.14798	41.6
187.16396	2.1
189.16309	16.8
191.08459	1.8
191.10550	2.2
191.14302	8.6
191.18001	5.5
193.04913	2.1
193.10123	2.4
193.15941	3.4
193.75060	1.5
195.11601	7.8
196.12541	1.6
197.13188	13.0
199.14793	35.2
199.16516	2.1
201.12799	2.2
201.16357	46.2
203.14325	5.1
203.17978	5.4
205.15797	12.8
207.11690	3.2
209.13258	5.8
211.14749	13.0
213.12863	3.3
213.16324	33.1
215.14334	7.0
215.17938	8.7
217.15880	10.1
219.13852	3.5
219.17368	17.1
221.13274	1.8
221.15411	1.8
223.14853	3.3
225.16289	7.5
227.17995	6.8
229.15872	5.9
229.19475	2.2
231.13901	3.3
231.17441	8.7
231.38571	1.6
233.15329	3.0
233.18977	3.1
235.14842	2.5
237.16365	3.1
239.17877	9.8
241.19402	8.4
243.17578	2.6
243.21068	2.2
245.15379	6.3
247.17033	4.4
249.16492	2.4
251.18040	5.2
253.19580	5.7
255.21054	3.6
257.15402	1.6
257.18890	2.4
259.16956	11.9
263.18073	1.8
265.19562	5.1
267.21100	5.1
279.21158	3.2
281.22626	2.7
283.20746	1.9
287.20013	2.5
299.20349	3.2
305.22632	2.0
323.20193	1.7
339.23148	2.2
341.25204	1.7
347.27368	3.1
351.23337	1.8
387.30560	9.7
389.32178	2.7
393.27545	7.9
405.31500	58.8
407.33347	3.6
415.29800	3.6
421.30908	3.3
423.32755	2.6
433.30945	31.3
451.32120	100.0
452.32700	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	451.32
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03924	3.1
55.05499	10.1
57.07053	3.3
67.05495	15.6
69.07056	17.1
69.47653	14.4
79.05486	12.8
81.07047	36.5
82.94057	1.4
83.04967	10.1
83.08596	5.1
91.05463	21.3
93.07031	33.7
95.04937	4.7
95.08591	43.3
96.08973	1.9
97.06539	2.7
97.10165	2.7
103.05460	2.5
105.07017	47.6
107.08575	56.6
109.06496	5.9
109.10146	29.7
111.08050	2.2
117.06987	9.1
117.56016	1.6
119.08562	60.2
120.08832	1.5
121.06525	2.8
121.10123	34.0
123.08031	4.5
123.11686	9.0
125.09589	2.6
128.06163	3.0
129.06984	6.1
130.07813	2.5
131.08536	25.5
133.10106	37.2
135.08043	2.8
135.11642	15.3
137.09578	4.7
137.13251	3.4
141.06996	1.8
142.07773	4.5
143.08537	18.0
145.10104	50.7
147.07988	1.8
147.11667	22.0
149.09540	1.9
149.13261	13.6
151.11116	2.3
155.08511	11.0
156.09320	6.8
157.10110	25.6
158.10834	2.2
159.08037	2.4
159.11667	27.4
161.09532	2.4
161.13226	13.8
163.07510	2.3
163.11162	4.0
163.14816	11.7
165.12735	7.4
167.08525	1.8
168.09322	2.2
169.10059	12.6
171.11676	25.5
173.13251	27.7
175.11301	2.0
175.14792	28.7
177.09091	2.8
177.16422	7.3
181.10083	5.3
182.10974	1.3
183.11676	10.1
184.12448	2.8
185.13239	14.4
187.14786	25.3
189.16389	10.7
191.14270	6.1
191.17888	2.8
193.10118	3.7
194.10934	1.7
195.11598	7.3
196.12442	2.1
197.13264	11.8
199.10948	1.8
199.14787	18.6
201.12540	1.5
201.16397	14.5
203.10574	1.8
203.14337	5.3
203.17946	6.5
205.15784	2.3
207.11642	2.4
209.13225	6.2
211.14838	7.0
213.16335	13.7
215.14194	3.2
215.17883	9.9
217.12370	2.0
217.15862	7.3
219.11746	1.5
219.13811	1.5
221.13231	3.0
223.14775	5.5
225.16364	6.1
227.14351	1.9
227.17918	6.1
229.15839	3.4
229.19527	4.8
230.39610	1.9
231.17447	6.5
234.14085	1.8
235.14745	5.0
237.16347	4.7
239.18007	6.1
241.19504	18.6
243.13841	2.2
243.21042	7.5
247.16908	4.6
249.16379	3.8
251.18021	3.4
253.19460	6.8
255.21062	5.3
257.18909	1.8
259.16913	3.2
263.17880	3.1
265.19513	3.9
267.21072	7.3
269.15262	1.6
269.22662	1.9
272.49432	1.6
273.18521	2.3
277.19681	1.8
279.21109	2.9
281.22565	2.0
285.18524	3.3
287.20090	3.4
291.21033	4.8
297.18616	1.7
299.20013	5.4
309.18890	1.9
309.22110	6.4
319.23978	2.2
331.24298	2.0
349.25204	1.9
369.23959	1.8
387.30460	9.2
389.31976	3.0
393.27673	2.2
405.31470	51.7
406.32190	2.5
407.33182	8.1
421.31055	6.2
423.32596	3.6
433.30936	29.6
451.32025	100.0
452.32178	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	451.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.7
55.05502	15.8
57.03421	1.8
57.07065	6.3
59.61503	1.7
65.03945	3.0
67.05492	24.5
69.03407	3.8
69.06760	1.9
69.07059	19.5
79.05482	26.7
81.06568	3.5
81.07047	72.6
83.04976	25.6
83.08599	8.3
85.06509	2.0
85.25566	1.9
91.05476	31.7
93.06458	3.6
93.07034	59.6
94.85215	1.7
95.04958	9.7
95.07978	3.4
95.08591	65.3
97.06507	3.3
97.10166	3.8
103.05427	2.0
105.06297	2.2
105.07014	76.2
107.08577	88.5
109.06506	16.3
109.10142	45.1
111.08090	10.3
115.05453	1.8
117.06989	15.6
119.08566	100.0
121.10120	67.7
123.08084	5.7
123.11664	23.1
125.09600	14.7
127.07510	11.1
128.06215	3.7
129.07014	11.5
130.07780	4.9
131.07568	2.9
131.08553	53.2
133.10110	68.4
135.08012	2.6
135.11673	25.3
137.09602	7.4
137.13301	3.3
141.07019	3.4
142.07796	6.3
143.08524	32.4
144.09338	5.3
145.10103	71.6
147.11674	31.6
149.09612	5.3
149.13213	11.2
151.11177	12.1
155.08536	8.0
156.09349	5.4
157.10120	33.1
158.10898	4.5
159.11668	67.8
161.13234	31.0
163.07489	2.9
163.11195	3.2
163.14787	12.3
165.12694	3.3
167.08492	2.1
168.09323	2.4
169.10060	13.1
170.10857	6.4
171.11658	31.1
172.12413	3.9
173.13246	38.6
175.14789	29.5
177.09016	3.2
177.12750	2.6
177.16318	9.5
179.08575	2.3
179.14417	2.5
181.10063	4.0
182.10851	4.8
183.11671	17.6
184.12508	2.7
185.13228	44.7
187.14793	63.5
189.16267	17.6
191.14240	16.3
191.17958	6.7
193.15884	5.2
195.11697	7.1
197.13223	22.0
199.14793	39.9
201.16359	56.6
203.10628	2.4
203.14264	3.5
203.17961	6.8
205.15848	20.9
209.13229	9.9
211.14761	17.9
213.16371	55.1
213.18346	4.2
215.14336	9.3
215.17848	14.8
217.15872	11.0
219.13881	2.5
219.17366	28.9
223.14819	4.9
225.16382	5.4
227.14272	2.1
227.17932	9.3
229.15804	6.8
229.19466	2.7
231.13768	4.1
231.17409	10.3
233.15311	5.2
233.18991	3.5
237.16338	4.7
239.17906	10.7
241.19461	13.5
243.17586	2.9
245.15338	10.5
247.16902	2.4
251.17932	6.0
253.19473	11.1
255.21143	5.8
259.16968	16.3
265.19540	4.8
267.21088	12.9
277.19531	3.0
279.21048	4.4
281.22583	4.7
287.20273	2.6
291.21036	3.6
297.22025	2.0
299.20099	4.7
309.22153	2.3
335.23813	3.0
339.23196	2.3
341.24384	2.8
347.27460	2.8
357.89389	2.0
377.24750	2.2
377.32330	3.0
387.30331	8.8
389.32208	2.9
405.31500	80.9
406.31693	4.4
407.32996	12.1
415.30002	5.8
421.30783	5.8
425.66940	1.9
433.30933	36.5
434.31424	2.7
451.32040	73.4
452.32422	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.123
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
53.03934	1.2
55.01861	1.2
55.11139	0.8
57.03426	1.3
61.02935	1.2
62.90334	0.9
65.03921	1.2
68.99771	1.8
69.03419	2.7
69.63936	2.1
69.64333	4.1
79.05508	1.7
81.03399	1.6
81.07048	0.9
85.02893	8.3
85.06559	0.9
91.05481	1.4
93.07027	1.0
95.04944	2.3
97.02878	3.4
107.04945	56.8
109.02856	1.1
111.04450	2.7
119.04954	1.7
121.02859	9.3
123.04385	2.0
127.03916	5.6
131.04933	1.0
131.08580	1.4
133.02835	1.2
135.04416	6.0
135.05275	0.9
137.06006	1.2
139.03867	4.2
141.06972	1.9
145.04919	1.6
147.04393	1.7
149.02328	72.5
150.02612	1.0
153.01813	100.0
159.08112	1.1
163.03902	3.3
165.01779	1.3
167.03384	8.7
169.06456	4.2
171.02859	2.3
173.02341	1.0
173.05940	1.9
183.02844	1.4
185.06058	1.2
187.07527	1.2
195.02863	13.5
197.05920	5.8
201.05482	1.6
215.07005	70.0
216.07426	1.1
219.02914	1.1
239.07076	1.2
242.05721	3.0
243.06509	62.7
244.06873	1.6
249.03992	2.0
271.05984	33.1
283.05872	1.4
285.07346	1.2
289.07034	97.5
290.07562	1.2
301.07074	1.7
309.07538	1.0
313.07089	1.1
329.21948	1.0
331.08075	1.3
354.28040	0.9
355.08139	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.01854	4.8
55.05481	11.2
55.06524	3.3
57.03412	7.6
57.14922	3.2
59.04979	6.3
61.02917	17.1
61.65484	3.2
65.03926	3.3
67.05474	14.4
69.03416	19.2
69.07059	16.7
70.06561	4.9
70.77747	3.8
70.78082	6.6
71.04980	41.5
73.06561	3.2
74.87830	2.9
79.05494	17.9
81.03399	14.2
81.07046	48.5
82.07433	3.1
83.04967	49.6
83.08614	8.0
85.02896	22.9
85.06526	9.7
87.04443	9.8
91.05452	17.6
93.06470	4.0
93.07028	66.9
95.04967	26.5
95.08587	41.3
97.02865	9.7
97.06507	12.7
97.10154	3.3
99.04374	3.9
99.08047	9.7
105.05497	16.8
105.07009	26.8
107.08584	51.2
109.02852	6.9
109.06499	10.5
109.09448	5.4
109.10146	68.7
111.08105	8.2
113.05988	50.9
113.09597	5.1
119.08569	20.9
120.08084	3.5
121.02795	4.9
121.06447	4.7
121.10117	62.4
123.04407	5.1
123.08045	5.5
123.11671	18.2
124.07505	3.8
125.09599	12.3
127.03865	14.0
127.07533	7.4
127.10272	5.3
127.11172	79.1
131.07033	16.8
131.08551	13.8
133.07588	8.0
133.10074	18.6
135.08022	5.0
135.11638	6.4
136.07536	12.4
137.05954	7.6
137.09639	16.1
138.09140	3.6
139.11205	7.4
143.10637	7.0
145.04910	6.2
145.08514	3.1
145.10088	13.5
147.04387	16.1
147.11655	18.6
149.07063	9.6
149.09612	27.9
149.13234	43.4
151.11119	9.5
152.07024	5.6
153.01733	5.3
153.09041	4.4
155.10645	8.2
157.09998	3.6
159.11674	10.6
161.07074	59.0
161.13275	3.6
163.03851	5.9
164.06993	16.3
165.12669	5.3
167.06958	8.0
167.10675	16.5
167.14297	100.0
169.12193	10.5
175.10994	3.1
175.14809	4.5
189.16327	6.0
199.14764	4.0
205.15895	8.9
207.48289	3.6
215.06993	5.3
217.15831	25.5
223.16884	15.7
235.16891	39.0
243.14951	5.0
253.17938	45.8
259.09689	9.8
271.14484	7.3
271.19034	31.2
287.05536	9.0
288.05533	4.7
289.06299	10.0
289.15466	16.7
289.20041	4.0
293.13748	4.2
295.77878	3.8
299.10165	6.7
311.14743	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	450.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77995	2.5
53.03934	2.8
55.05503	18.3
57.07047	4.1
62.40030	3.0
65.03905	3.3
67.05505	20.9
69.03384	2.4
69.07046	12.7
69.88003	18.2
71.04990	3.9
74.09695	2.7
79.05477	28.5
81.07048	100.0
83.04943	14.6
83.08601	5.0
85.02893	6.7
85.06524	3.3
87.04413	2.8
91.05453	28.1
93.07036	49.5
95.04958	15.9
95.07990	1.8
95.08591	51.3
97.06516	6.4
97.10156	4.6
98.21435	4.8
105.07021	55.8
107.07864	4.1
107.08575	47.7
109.06495	10.1
109.10155	23.5
111.08061	4.7
117.06999	12.1
119.08564	67.8
121.10130	45.3
123.11697	8.0
129.06969	6.8
131.08556	26.4
133.10104	24.7
135.08064	6.8
135.11661	10.8
142.07736	7.1
142.41580	2.9
143.08525	8.2
145.10118	31.0
147.11639	17.9
147.18596	3.0
149.13243	13.3
157.10121	12.7
159.11681	45.7
161.13217	24.4
163.14783	15.3
169.10175	3.6
171.11678	14.1
173.13220	14.7
175.14867	5.2
182.96436	3.6
183.11574	3.8
185.13187	8.0
187.14801	7.5
189.16367	49.1
197.13235	3.9
199.14796	6.1
201.16347	9.7
203.17943	6.5
211.14780	6.7
213.16341	8.3
215.17908	17.7
225.16452	3.7
255.20990	4.5
396.80078	3.2
405.99817	2.7
432.35626	3.3
450.29752	3.9
451.32278	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	451.1226
Annotation	Flavanomarein
Peak:m/z	Relative Intensity
51.29764	0.4
55.01853	0.4
67.01853	1.1
68.99783	1.0
69.03400	1.2
70.06223	2.1
81.03384	0.8
81.07050	0.6
85.02874	1.6
89.03911	1.8
91.05450	0.4
93.07051	0.4
95.04954	0.6
97.02872	0.8
98.21562	0.5
107.04928	1.0
111.00793	1.8
111.04404	1.0
117.03356	2.5
117.22904	0.4
123.04411	2.7
126.78122	0.4
126.99911	0.4
127.03880	0.7
135.04388	6.9
137.05962	0.9
139.03862	1.0
145.02832	6.4
147.04329	0.5
151.03871	0.7
153.01799	56.6
154.02080	0.5
159.04410	1.1
161.05934	1.0
163.03874	41.3
164.04230	0.8
165.01782	0.5
165.97174	0.5
171.02826	4.3
173.05939	0.5
179.03394	4.4
183.02847	0.6
186.21091	0.4
187.03908	1.8
195.02846	1.6
205.04878	0.9
219.02849	0.7
235.45390	0.4
259.09955	0.5
271.05981	1.9
289.07013	100.0
290.07410	2.5
301.07089	0.7
355.08118	0.9
451.16025	0.8
472.31635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60306	0.9
53.03938	2.0
55.05502	10.0
57.03413	2.4
57.07070	6.8
63.43526	0.9
67.05492	19.5
69.07051	16.5
70.08658	5.3
71.08619	1.8
79.05478	12.5
81.07044	62.2
83.08601	10.7
86.09711	1.4
91.05463	9.8
93.07024	27.3
95.04952	2.0
95.08588	42.8
97.06491	2.5
97.10161	3.8
98.20788	1.4
98.98459	3.5
105.07014	36.9
107.08575	26.2
109.06525	1.3
109.10136	35.6
111.11694	2.4
115.05427	1.4
117.07000	11.3
119.08571	20.0
121.06527	2.6
121.10123	23.6
123.08047	1.3
123.11690	48.0
128.06209	3.2
129.06989	9.9
130.07758	1.5
131.08545	25.5
132.09320	2.2
133.10107	29.1
135.08026	1.4
135.11671	23.4
136.99979	1.7
137.13257	7.0
139.14836	1.0
141.06915	1.5
142.07718	3.5
143.08540	18.1
144.09294	1.9
145.10095	29.1
146.10847	1.3
147.08000	1.3
147.11659	27.3
147.12770	1.9
149.09637	5.8
149.13231	22.2
151.14795	4.0
155.01018	3.1
155.08537	3.0
156.09219	1.4
157.10101	26.9
158.10834	1.4
159.11668	24.3
161.09616	1.3
161.13226	20.9
163.11172	3.3
163.14783	13.8
165.12802	1.7
165.16379	2.6
167.08606	1.4
169.10085	2.4
171.11667	19.2
173.13234	15.5
175.11142	1.6
175.14807	4.6
177.09081	2.6
177.12656	1.1
177.16359	7.3
179.14420	1.4
181.10049	1.2
183.11662	3.2
185.09584	3.0
185.13245	15.6
187.11153	1.5
187.14769	12.8
189.12672	4.0
189.16350	4.1
191.10661	5.5
193.12259	3.4
195.10127	4.5
195.11655	1.1
197.13211	2.7
199.11198	2.0
199.14792	12.3
201.12772	1.6
201.16330	6.1
203.10658	8.3
203.14351	4.5
203.18054	1.6
205.12227	3.8
207.13757	2.7
209.11662	14.9
211.14778	2.2
213.12747	3.3
213.16367	3.1
215.17932	2.0
217.12263	14.9
217.15791	2.8
219.13759	3.0
221.11604	1.3
225.16344	3.1
227.14360	1.2
227.17966	1.3
231.13766	18.3
233.15312	5.3
235.13239	1.2
239.17918	3.0
241.19608	1.6
243.20998	1.2
245.15335	8.2
247.16972	1.2
249.14845	4.1
253.19524	3.6
255.21071	7.1
256.21683	0.9
257.22537	1.1
263.16327	5.2
267.21201	1.7
271.16925	2.6
281.22592	5.3
285.18341	1.7
309.25742	23.8
311.27399	6.7
314.27695	2.0
319.23978	1.0
327.22934	1.8
327.26758	29.8
337.25235	12.0
355.26254	100.0
356.26413	2.3
373.27325	66.7
374.27679	1.8
450.26959	2.5
450.32178	18.4
451.32254	1.8
473.57761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42590	1.2
53.03925	1.6
55.01860	1.7
55.05507	6.6
57.03421	2.9
57.07063	2.4
59.04979	2.9
59.28320	1.2
60.83292	1.1
61.02906	2.0
62.34806	1.2
65.03894	1.4
65.52409	1.0
66.83984	1.2
67.05498	11.3
69.03412	5.0
69.07062	18.5
70.75211	1.5
70.75581	3.6
71.04991	14.9
72.05303	1.7
73.06525	3.5
79.05482	8.7
80.05032	2.0
81.03391	2.4
81.07045	25.6
82.07368	1.1
83.04960	7.6
85.02902	18.3
85.06521	6.4
85.66847	1.1
86.03197	1.6
87.04448	1.4
91.05467	7.8
93.07025	14.8
95.04950	12.8
95.08584	9.6
96.08115	6.9
97.02866	2.4
97.06512	18.2
97.10154	2.0
99.08072	1.5
99.38390	1.1
105.07022	11.8
106.06591	1.6
107.08569	13.5
108.04436	4.1
109.06546	5.7
109.10149	18.1
111.08024	1.9
113.05988	7.7
117.06987	1.7
119.04942	4.2
119.08552	11.0
121.06467	1.8
121.10114	12.4
123.08033	2.4
123.11669	3.9
124.07574	73.4
125.05947	3.3
125.09599	7.4
127.03880	4.5
127.07542	3.7
127.11176	1.6
129.05457	1.4
131.08517	5.2
133.10109	24.4
135.08070	1.7
135.11641	2.6
137.05959	10.0
137.09578	12.8
139.11124	3.0
141.09087	1.7
142.08614	100.0
143.07059	5.8
143.08846	2.1
143.10645	16.8
143.63603	1.2
145.02834	3.0
145.08571	1.5
145.10088	4.6
147.04391	30.0
147.11702	11.2
149.09561	4.1
149.13229	3.3
151.03941	1.5
151.11217	2.0
153.09082	2.8
155.10616	1.9
157.10117	2.2
159.10202	1.8
159.11691	5.4
161.05928	1.4
161.09587	2.7
163.03883	2.3
163.11214	2.5
165.09155	3.5
165.12718	4.8
167.10657	6.3
167.14178	1.3
171.10127	4.8
171.11497	1.2
173.13246	2.0
175.07224	1.3
175.11171	1.5
175.14810	3.5
177.05486	6.8
177.12740	2.6
179.10684	2.4
183.13789	1.8
185.11714	2.8
187.14728	1.5
189.16356	3.7
199.14815	2.2
202.71800	1.3
205.15833	2.1
210.61333	1.2
217.15858	9.3
217.63928	1.3
223.16908	2.5
235.16896	19.7
253.17963	51.4
271.19052	3.0
287.05457	4.4
288.05807	12.3
303.04825	8.9
304.05316	24.0
309.09732	2.4
432.15424	4.4
451.16418	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71088	0.7
51.33068	0.7
52.76762	0.5
53.03925	1.4
55.01838	0.9
55.05507	3.2
56.42056	0.8
56.97783	0.6
57.03421	1.5
59.04981	1.6
60.08138	2.9
61.02916	1.9
65.03928	1.2
67.05495	4.6
68.99791	1.2
69.03416	5.3
69.07047	2.7
70.06579	1.0
71.04973	8.2
71.21001	1.5
74.06033	0.8
79.05478	7.8
80.05832	0.7
81.03412	3.8
81.05775	1.9
81.07037	11.1
82.07349	0.7
83.04946	3.0
83.08591	0.7
85.02889	10.1
85.06519	2.9
86.03220	1.1
86.09687	10.6
87.04465	1.0
91.03947	0.7
91.05466	5.0
93.07030	8.4
94.07354	0.9
95.04945	6.8
95.08585	6.0
96.08129	4.8
96.08641	0.8
97.02878	3.5
97.06529	4.7
99.04443	1.6
99.08027	1.0
104.10033	1.1
104.10721	18.2
105.03327	1.0
105.07010	7.8
107.04923	2.3
107.07864	0.7
107.08569	11.4
109.02847	2.8
109.06498	1.5
109.10141	4.7
111.08059	1.8
113.05991	1.0
113.28476	0.7
117.07005	0.8
119.04926	6.3
119.08575	7.1
121.02857	2.3
121.10122	15.6
122.10451	0.9
123.04443	1.1
123.08012	1.2
123.11668	2.2
124.07571	57.3
124.99969	4.9
125.07927	1.7
125.09616	1.3
127.03906	6.1
127.07555	1.2
127.11134	1.5
129.01781	0.7
131.04829	0.7
131.08568	3.6
133.02808	0.8
133.06427	0.9
133.10095	5.2
135.04379	3.0
135.08028	1.4
137.02260	1.1
137.05937	2.6
137.09576	2.8
137.13217	2.3
139.11156	1.1
141.09093	0.8
142.08609	82.6
143.08763	2.2
143.10651	2.3
145.02808	0.9
145.04947	1.0
145.10085	2.5
147.04382	29.8
147.11656	8.4
148.04724	1.1
149.09607	3.6
149.13219	1.2
150.09937	0.8
153.01791	2.5
153.12749	1.2
155.10580	0.9
157.10062	1.5
159.10173	2.0
159.11665	2.6
161.05887	1.2
161.13150	0.9
163.03877	9.0
163.11140	0.9
165.05461	1.5
165.07426	0.9
165.09085	1.8
165.12747	7.6
166.02184	0.9
167.10649	2.6
171.11597	1.1
173.13168	0.7
175.11096	0.8
175.14752	1.8
175.25069	0.7
177.12701	1.5
183.13782	13.9
184.07318	18.2
185.11708	0.9
189.09071	1.9
189.16385	2.5
193.12250	1.0
193.15807	1.7
195.08052	1.0
199.14752	1.5
201.05537	0.6
208.06345	0.7
213.05428	1.0
213.09062	1.0
214.05725	1.6
215.07066	2.3
217.08562	1.0
217.15871	5.8
235.13223	1.1
235.16864	16.1
241.08647	0.9
253.14334	1.8
253.17825	3.8
259.05515	0.8
259.09637	6.1
287.05466	41.4
288.05792	100.0
289.06094	6.4
309.09650	1.9
330.16171	1.0
432.21246	1.8
450.17233	1.1
450.22623	5.6
451.16171	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
53.62413	0.2
53.82833	0.2
55.01856	0.3
55.05494	0.2
57.03427	0.4
61.02913	0.5
65.03945	0.2
67.05480	0.2
69.03417	1.4
70.06580	0.2
70.57106	0.2
70.57460	0.5
71.04966	0.3
72.41029	0.1
73.02907	0.3
77.03899	0.3
78.32896	0.2
79.05424	0.2
81.03412	0.7
85.02888	3.7
85.06509	0.3
87.04482	0.2
89.06026	0.5
91.03957	0.4
91.05466	2.8
93.07032	4.2
95.04941	1.2
97.02864	1.4
98.97567	1.0
99.04462	0.3
103.05442	2.7
106.02881	0.3
107.04924	0.3
109.02869	0.5
112.07599	0.4
116.98586	0.6
119.01900	0.8
119.04945	0.5
121.02895	1.5
121.06483	100.0
122.06821	2.1
123.04412	0.2
124.03947	0.8
127.03895	1.2
130.08617	0.4
131.01860	0.3
131.04887	0.3
136.06195	0.2
136.98726	0.2
137.05946	2.1
138.09116	40.0
139.03880	0.3
139.09453	0.6
143.01854	1.0
145.03439	0.3
145.04944	1.1
146.05206	0.2
147.04254	0.3
147.05762	0.2
148.04802	0.2
151.07524	1.0
151.09616	2.2
154.08594	0.2
155.01811	0.3
158.99590	0.4
161.01022	0.2
161.02924	1.8
162.03120	0.5
163.03899	0.6
167.06987	0.4
173.02922	0.7
173.06523	0.5
175.04510	0.3
175.06198	0.2
177.00691	0.8
181.08536	1.9
183.05063	0.2
185.02898	0.2
185.06622	0.4
187.04506	0.2
187.08067	0.3
203.03975	0.5
203.07610	0.6
204.04172	0.2
213.08577	0.2
215.07629	0.2
219.01794	0.3
219.07845	0.4
221.04979	0.8
222.05067	0.2
223.04730	0.2
228.09193	1.2
228.59273	0.4
237.02858	0.2
268.08096	0.4
270.09482	0.3
275.09698	0.8
276.09714	0.2
283.08081	0.2
287.05417	0.7
287.09653	0.5
288.05737	1.4
293.10846	2.3
294.10983	0.4
321.08536	0.5
333.10248	0.3
450.13373	1.3
451.04700	0.3
451.12299	0.3
473.18713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24764	0.5
53.03927	1.1
55.01852	1.7
55.05506	4.6
57.03409	1.7
57.07050	1.9
59.04968	0.9
61.64537	0.6
67.05213	0.7
67.05495	6.0
67.72024	0.5
69.03414	4.5
69.07056	10.2
69.69234	3.2
69.69640	0.9
71.04976	14.8
73.06541	4.0
75.53430	0.6
79.05471	4.3
81.03391	2.0
81.07040	10.2
82.07348	0.8
83.04956	1.5
83.08607	3.6
85.02885	4.8
85.06500	1.6
87.00798	2.4
89.03905	0.6
91.05466	3.0
93.07022	10.3
94.07344	0.9
95.04961	1.1
95.08589	27.9
96.08926	1.3
97.02865	2.1
97.06510	11.3
97.10128	1.2
98.20734	1.0
99.04414	1.1
105.01879	3.5
105.07008	3.3
106.07381	0.6
107.08572	13.5
108.08868	0.8
109.02849	2.2
109.06500	2.0
109.10141	7.8
110.10489	0.6
111.04459	0.9
111.08035	1.0
111.11690	0.6
117.06965	1.1
119.08581	2.9
121.06541	0.6
121.10119	7.5
122.10476	0.6
123.04385	0.6
123.08044	1.2
123.11675	3.5
125.09597	1.7
126.09933	0.8
127.03931	3.1
127.11182	0.7
131.08495	1.4
133.10132	2.8
134.05888	0.6
135.04416	1.1
135.11673	2.1
137.05923	0.9
137.09560	0.8
137.13174	1.0
139.11090	0.8
142.07787	0.6
143.10559	0.9
145.02791	0.9
145.04935	0.9
145.10046	1.5
146.10461	0.6
147.04364	1.1
147.11649	2.1
148.11925	0.7
149.09584	1.0
149.13231	21.7
150.13541	0.8
151.07576	0.6
151.11241	0.7
157.10197	0.8
159.04349	0.8
159.11674	1.6
161.02299	2.0
161.09526	0.7
161.13272	0.8
162.05472	3.3
163.03906	6.1
167.14285	100.0
168.14658	3.1
173.02336	3.1
173.13112	1.3
175.14743	0.9
179.14272	1.3
185.15363	0.7
187.11205	0.9
189.16339	1.1
209.15468	0.9
215.06937	4.4
217.15926	0.6
221.15286	1.0
231.04959	1.0
235.16876	3.3
253.18022	4.5
257.21259	0.6
259.09616	15.3
269.17432	1.7
270.17715	3.0
271.18909	2.0
287.05414	1.1
288.05811	3.4
289.06589	0.6
306.52460	0.6
324.10355	0.6
336.07669	0.6
450.29355	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01858	1.4
55.05503	5.1
57.03426	0.9
57.07058	1.6
59.04979	1.0
67.05492	8.0
69.03415	5.3
69.06767	0.7
69.07061	8.0
69.76038	2.5
69.76447	1.8
70.06578	0.7
71.04984	16.5
73.06544	3.2
78.30587	0.7
79.05479	5.7
81.03402	4.4
81.07048	10.5
83.04982	1.2
83.08616	4.3
85.02889	8.1
85.06528	1.9
87.00803	2.1
91.05460	4.1
93.07027	14.9
95.04955	2.7
95.08595	29.0
96.08922	0.8
97.02872	3.0
97.06514	13.0
97.10130	1.4
99.04425	1.8
99.08068	1.0
103.05518	0.7
105.01875	3.2
105.02747	0.8
105.03370	5.7
105.07011	5.6
107.04932	1.7
107.08581	16.0
108.08863	1.1
109.02873	3.1
109.06525	1.4
109.10136	8.1
111.04452	0.8
111.08060	2.8
115.03873	1.3
117.03391	0.9
119.04905	0.8
119.08544	5.2
120.08892	1.4
121.02831	1.3
121.06470	0.9
121.10125	13.0
123.04393	1.8
123.08027	1.1
123.11720	4.0
125.09602	1.4
127.03893	3.8
127.07537	0.8
127.11161	1.2
129.06946	0.6
131.08546	1.4
133.10124	3.9
134.10551	0.8
135.04396	1.1
135.08023	0.9
135.11674	2.7
136.07518	0.9
137.05933	2.1
137.09572	2.0
139.03891	0.9
139.07500	0.9
139.11156	1.8
143.08473	0.9
145.04929	1.4
145.10117	2.7
147.04396	3.9
147.11623	2.7
148.12000	0.9
149.09604	1.7
149.13242	20.0
150.13564	1.1
151.11176	0.9
153.01898	1.3
153.12732	0.7
157.10112	1.4
159.02885	0.8
159.11641	2.5
160.11975	0.9
161.02385	1.7
161.09608	1.2
161.13202	1.9
162.05470	5.6
162.13548	0.8
163.03897	5.0
165.12756	1.0
167.14296	100.0
168.14648	2.2
169.10170	1.1
171.11667	0.8
173.02328	4.2
173.13252	1.0
175.14824	2.1
179.14258	1.4
188.15050	1.0
189.16364	1.2
193.15871	2.4
197.13190	0.7
199.14786	0.8
203.14268	0.8
213.16422	0.9
215.07042	4.6
217.15918	0.7
221.18973	0.7
235.16875	2.8
249.07576	1.9
253.18044	6.3
259.09622	16.5
267.08585	1.1
271.19064	2.5
287.05496	2.1
288.05762	5.3
311.14786	1.5
324.10580	0.8
397.18256	1.0
404.30356	1.2
408.85522	0.7
416.92908	0.7
432.29041	1.1
450.30609	4.0
451.09750	0.8
451.18225	0.7
456.87494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66927	0.4
53.03946	0.7
54.07331	0.4
55.01853	0.8
57.03431	4.1
58.06312	0.4
59.24998	0.4
61.02912	4.9
62.43813	0.4
63.61862	0.4
65.03923	1.6
66.52052	0.4
69.03417	10.0
70.99724	1.2
71.01324	0.5
71.04969	1.2
73.02899	2.3
81.03402	4.2
85.02888	60.0
86.03233	0.6
87.04440	1.4
88.75294	0.5
91.03965	3.3
91.05463	100.0
92.05776	0.9
97.02875	32.3
99.04412	3.0
101.46970	0.5
103.03926	0.9
105.03370	1.9
105.06997	0.7
109.02845	5.4
109.15162	0.4
113.12157	0.4
115.03913	4.3
117.06975	1.7
121.02857	0.8
127.03893	16.3
129.06952	1.3
133.06451	1.5
143.03427	0.9
143.08554	1.2
145.04933	32.6
153.01903	0.4
153.07034	0.7
154.68788	0.4
156.10130	0.7
157.06393	0.5
161.04439	4.1
162.07535	0.6
163.05991	16.0
163.07359	1.0
171.08020	1.6
175.07481	0.8
187.07542	0.5
199.07584	0.7
217.08571	4.5
235.09554	3.2
253.10655	5.4
271.11710	1.2
287.05411	0.8
288.05753	1.9
325.11221	2.6
339.91696	0.4
351.71457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56462	0.3
51.02367	0.6
53.03932	2.5
55.01851	0.9
55.05499	0.4
57.03419	1.7
57.49268	0.3
61.02906	1.1
62.53370	0.3
68.25514	0.3
69.03417	13.1
69.91286	0.3
70.83321	0.9
71.04967	1.5
71.84525	0.4
73.02886	0.9
78.03439	7.2
79.04221	0.5
79.30338	0.4
80.04987	1.5
81.03400	12.7
83.04957	2.3
84.04484	0.4
85.02883	8.6
87.04456	0.9
91.03968	0.4
91.44209	0.4
96.04471	2.8
97.02866	4.4
99.04450	2.6
106.02892	38.1
107.03179	0.4
107.54504	0.4
109.02863	8.1
111.04387	1.7
119.06061	0.4
121.02840	3.1
123.04428	0.5
124.03928	100.0
125.04287	1.3
126.05486	0.7
127.03896	4.4
129.05460	3.1
129.10199	0.4
136.03918	0.9
140.02797	0.4
140.20554	0.3
145.04973	1.0
147.04402	0.5
147.06462	1.2
151.07526	0.8
163.03873	0.4
165.07553	1.3
166.04991	1.0
167.07031	0.8
183.08594	2.4
191.90515	0.3
208.05835	0.5
212.57938	0.4
229.95737	0.3
232.05997	2.4
250.07057	9.9
265.06894	0.5
268.08105	65.4
269.08646	2.3
277.21860	0.4
283.08029	0.6
287.05539	1.9
288.05759	4.3
446.62665	0.4
450.16040	16.8
451.16748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77222	0.4
53.03932	1.1
55.01863	1.6
56.19840	0.3
57.03433	3.6
60.19618	0.3
61.02921	5.4
62.24392	0.4
65.03936	1.4
69.03065	0.7
69.03420	10.5
71.01345	0.6
71.04979	1.7
71.05563	0.6
73.02908	2.9
81.03409	4.3
85.02896	62.7
86.03237	0.8
87.04462	0.9
91.03970	2.8
91.05472	100.0
92.05781	1.2
97.02884	34.4
98.03212	0.4
99.04449	2.4
103.03867	0.5
105.03371	0.9
105.07035	1.1
108.43175	0.3
109.02879	4.8
113.06142	0.4
115.03934	4.5
117.06998	1.3
121.02811	0.4
125.02323	0.4
127.03908	15.1
128.06186	0.4
129.06973	1.5
133.04915	0.5
133.06459	1.5
143.03337	0.7
143.08516	1.1
145.04947	32.9
145.06337	1.1
149.02342	0.5
153.06929	0.5
156.10168	0.8
157.06462	1.8
161.04468	4.4
163.06006	18.3
171.07994	1.8
175.07475	0.8
180.08583	0.4
189.09068	0.7
199.07538	0.7
202.29503	0.4
217.08575	4.7
235.09628	3.2
253.10663	5.1
271.11700	0.9
288.05646	1.3
288.14410	0.4
325.11203	2.7
342.19440	0.4
381.46915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3985
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
53.03925	0.8
55.01865	1.0
55.05503	13.1
57.03425	1.0
57.06817	0.9
57.07072	12.2
59.04975	0.7
67.05499	8.8
69.03406	0.8
69.07059	18.0
69.29107	4.0
69.29529	2.0
69.51712	0.5
71.08622	9.2
79.05487	3.5
81.07050	11.2
83.01299	0.8
83.04965	2.3
83.08128	1.1
83.08610	14.9
85.06558	0.5
85.10171	4.0
90.67722	0.5
91.05470	4.6
93.07040	8.0
95.04945	2.7
95.08597	12.4
97.06518	1.6
97.10162	13.7
98.21489	1.3
105.06411	0.8
105.07004	4.0
107.08585	4.4
109.02848	0.6
109.06496	2.7
109.10147	12.7
111.08071	8.0
111.11666	3.2
119.08570	13.2
121.06486	3.1
121.10124	5.1
122.07368	0.6
123.04411	7.3
123.08029	4.3
123.11694	6.6
125.05987	1.3
125.09662	1.1
125.13227	0.6
133.10117	3.3
134.79776	0.7
135.07994	1.0
135.11687	4.9
137.05975	0.9
137.09596	14.5
137.13231	2.4
139.07523	23.6
139.11189	1.0
139.14758	0.8
145.10191	0.8
147.08029	2.5
147.11693	2.2
149.09676	0.6
149.13234	2.8
151.07510	2.3
151.11168	7.2
151.14815	1.0
153.09073	1.1
155.10670	1.2
159.11644	0.7
161.09644	0.6
161.13264	2.4
163.11116	0.8
163.14772	0.9
165.09094	8.7
165.12726	5.3
167.10666	2.2
171.11661	0.5
175.14793	2.6
177.16380	1.0
179.10632	1.8
179.14319	5.6
183.10139	1.6
184.31329	0.6
185.13274	0.6
189.12744	0.9
189.16393	1.8
193.12134	1.3
193.15916	3.7
204.15218	0.6
207.13843	1.5
207.17415	2.4
217.15938	0.6
221.15340	1.7
221.18979	2.2
249.22173	1.3
252.35376	0.5
263.23712	0.7
277.21808	0.7
277.25266	1.4
291.26871	0.9
319.29788	0.7
347.29401	4.2
347.33017	0.8
375.36328	0.8
385.38217	1.0
398.91757	0.6
403.39313	15.9
431.38794	57.7
432.39075	2.0
449.39859	100.0
450.40198	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	449.3981
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
52.30647	0.5
55.01847	0.7
55.05500	14.0
57.03419	0.8
57.06826	0.7
57.07070	10.1
57.97061	0.5
67.05492	6.6
69.07057	14.5
70.98164	0.6
71.08620	7.5
71.59309	1.0
73.58483	0.5
76.43155	0.5
79.05470	2.4
79.95583	0.5
81.07037	10.1
83.01328	0.8
83.04953	2.5
83.08129	0.8
83.08606	13.7
85.10175	4.6
87.44307	0.5
91.05463	3.8
93.07025	6.4
95.04967	2.7
95.08590	9.6
97.06507	1.2
97.10152	15.4
105.06998	3.7
107.04952	0.7
107.08562	3.5
109.06484	2.4
109.10140	11.6
111.08060	6.1
111.11700	2.7
117.07033	0.7
119.07776	1.0
119.08558	11.6
121.06496	3.4
121.10130	4.1
123.04395	6.7
123.08027	3.3
123.11688	5.1
125.09583	1.3
131.08469	0.8
133.10117	4.2
135.08049	0.7
135.11633	4.3
137.05965	1.9
137.09595	13.1
137.13239	1.7
139.07518	28.2
139.11150	1.4
147.08043	2.4
147.11632	3.0
149.09592	1.0
149.13240	2.2
151.07491	1.5
151.11157	8.1
151.14738	0.7
153.09090	1.2
155.10619	0.8
159.11746	0.6
161.09578	0.6
161.13219	1.4
163.14816	0.8
165.09085	6.4
165.12733	4.2
167.10664	1.3
175.14769	2.0
177.16336	0.7
179.10651	1.8
179.14264	5.7
183.10165	2.4
189.12752	0.6
189.16313	1.2
193.12175	1.3
193.15863	3.5
203.17751	0.6
207.13849	1.5
207.17368	2.6
221.15364	1.1
221.18961	1.3
234.12726	0.5
235.16948	0.8
235.20546	1.0
249.22127	0.8
263.23602	0.7
277.22198	0.5
277.25092	0.8
291.26636	0.7
319.29758	0.6
329.28500	0.6
347.29404	3.6
348.29947	0.6
352.54810	0.5
385.38120	0.9
403.39267	15.5
405.37238	0.5
429.31860	0.6
431.38776	63.9
432.39218	2.1
449.39835	100.0
450.40164	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	449.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.8
57.03438	2.2
57.07054	1.3
64.53907	1.4
65.03918	1.6
67.05488	10.8
69.03432	1.4
69.07058	10.2
69.59772	7.1
69.60187	3.1
71.08611	1.4
73.86520	1.3
79.05478	15.8
81.03409	1.6
81.07040	28.2
83.04982	2.0
83.08611	4.5
85.06547	2.1
86.37865	1.3
86.90764	1.3
91.05460	18.0
93.07034	29.7
95.04973	3.0
95.08585	31.7
97.06503	4.6
103.05477	1.2
105.07016	40.4
107.08578	30.1
109.06505	7.9
109.10133	14.4
111.08048	6.7
111.52622	1.2
115.05474	2.2
117.06972	9.4
119.08563	61.6
121.06493	3.7
121.10124	24.1
123.08022	2.6
123.11679	6.7
127.07541	4.7
128.06236	3.7
129.07007	9.0
130.07790	1.6
131.08551	29.0
133.10107	36.3
133.11063	2.7
135.08052	2.1
135.11661	12.9
137.09607	3.5
137.13260	2.1
141.07014	3.6
142.07750	6.7
143.08543	20.5
144.09305	3.0
145.10100	38.9
147.08083	3.9
147.11653	20.3
149.09616	4.8
149.13254	5.4
151.07536	2.4
151.11186	2.2
155.08531	12.2
156.09309	7.1
157.06506	1.5
157.10107	30.0
158.10881	3.4
159.08047	2.7
159.11658	30.9
161.09618	4.5
161.13258	22.5
163.11183	4.2
163.14830	4.6
165.12758	3.5
167.08563	3.3
169.10080	16.7
170.10858	6.4
171.11674	22.1
172.12402	1.7
173.09633	3.4
173.13242	33.8
175.11189	4.6
175.14793	16.4
177.12762	4.3
177.16368	5.3
179.08516	2.9
179.14287	1.5
180.09361	1.5
181.10201	4.9
182.10895	4.0
183.11673	13.4
184.12427	2.2
185.09583	2.6
185.13231	27.1
186.13876	1.6
187.11234	3.2
187.14793	22.9
189.12767	9.0
189.16367	8.7
191.10732	1.8
191.14294	13.3
193.10144	3.4
193.15857	3.3
194.10875	2.1
195.11609	8.5
196.12418	2.6
197.13231	20.1
199.14795	14.3
201.12733	4.7
201.16331	13.9
203.10725	1.4
203.14272	12.8
203.17970	3.8
205.12212	1.5
205.15797	2.5
207.11707	3.3
209.13203	9.4
211.14789	13.5
213.12807	3.9
213.16350	14.1
214.16919	1.7
215.10661	1.4
215.14273	10.3
215.17853	5.9
217.15828	6.5
219.11713	2.7
219.13788	2.7
221.13231	4.3
221.15335	2.0
223.14674	6.7
225.16321	7.0
227.14323	3.4
227.17973	3.8
229.12299	1.3
229.15881	7.8
229.19443	2.3
231.13818	2.3
231.17439	2.3
233.13281	2.7
235.14825	4.3
237.16393	5.4
239.17885	7.7
241.19522	2.4
243.17421	2.6
245.15373	5.2
249.16518	3.3
251.17949	7.3
252.83000	1.6
253.19461	1.7
255.13812	1.7
255.17413	2.6
257.15540	3.0
257.18832	1.2
259.16998	4.0
263.18027	4.6
265.19586	5.0
267.21072	2.8
271.16855	2.6
275.17917	2.0
275.75409	1.4
277.19540	1.8
279.21051	2.3
281.15381	1.6
283.16888	2.8
285.18573	2.0
287.05414	7.9
287.20450	1.6
289.19458	2.4
291.21036	1.7
295.16937	2.0
295.20364	1.5
297.18491	7.2
299.20221	2.0
309.22147	1.9
311.20068	3.4
315.21109	1.6
317.22690	2.2
319.24222	1.6
329.22549	2.4
349.21643	2.1
373.28946	2.3
385.28918	6.9
387.30505	1.5
387.69196	1.4
401.28397	1.6
403.29990	26.0
405.31641	3.4
407.08746	1.2
419.29379	15.7
421.31177	12.2
431.29312	26.0
432.29727	2.3
449.30524	100.0
450.30896	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	449.304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01863	1.7
55.05500	10.4
55.70333	1.1
57.03415	1.5
57.07061	3.6
59.04996	0.9
65.03910	1.3
67.05497	22.3
67.05859	1.2
67.50513	0.9
69.03432	2.1
69.06703	1.5
69.07052	15.3
71.04973	2.7
72.05076	1.0
79.05476	17.6
81.03410	1.2
81.07039	38.3
81.27994	0.8
83.04969	3.4
83.08592	8.9
85.02857	1.1
85.06534	2.7
85.10151	1.0
91.05464	18.2
93.07024	26.2
95.04951	8.4
95.08585	27.1
96.08967	0.9
97.06502	5.7
97.10158	3.5
99.04449	1.0
105.07010	37.2
107.04942	1.6
107.08580	28.4
109.06505	11.3
109.10141	16.6
111.04492	1.1
111.08069	3.9
115.05392	1.9
117.06982	10.6
119.04946	1.0
119.08560	45.7
121.06481	3.2
121.10121	16.3
123.08051	4.2
123.11716	6.0
125.05991	3.1
127.07550	3.4
128.06226	2.7
129.07001	7.8
130.07745	1.8
131.08536	26.3
133.06421	1.0
133.10110	27.7
135.04424	1.0
135.08022	3.8
135.11671	13.8
137.09634	3.3
137.13220	2.2
139.07587	1.1
139.11121	0.9
141.06981	2.5
142.07768	5.6
143.07019	4.5
143.08534	17.0
144.09282	2.2
145.10103	33.7
147.04405	6.1
147.08055	2.1
147.11653	17.9
149.09599	5.5
149.13239	8.9
151.11185	3.8
153.09059	1.0
154.07784	1.2
155.08519	7.8
156.09366	6.8
157.10101	26.8
158.10878	1.9
159.08051	1.9
159.11661	28.7
161.09619	4.2
161.13234	13.1
163.03842	1.0
163.07486	2.3
163.11169	4.0
163.14832	4.4
165.12759	1.5
167.08606	2.7
168.09286	1.8
169.10089	11.4
170.10834	5.2
171.11642	17.8
172.12337	1.5
173.09654	2.2
173.13226	21.0
175.11177	3.0
175.14809	12.2
177.09119	2.7
177.12672	2.8
177.16411	2.5
179.08519	2.0
181.10092	5.4
182.10904	4.5
183.11646	11.7
184.07297	1.1
184.12421	2.5
185.09715	1.7
185.13222	29.6
185.14827	1.7
187.11215	2.4
187.14789	19.1
189.12746	3.8
189.16316	7.0
191.10782	1.6
191.14352	5.1
193.10158	1.9
195.11688	5.9
196.12440	2.1
197.13219	14.2
199.11205	3.0
199.14755	16.2
201.12758	2.7
201.16338	13.8
203.10832	1.1
203.14304	6.5
203.17885	3.1
205.12122	1.3
205.15907	1.6
207.11737	2.2
207.13770	1.0
208.12534	1.3
209.13268	5.9
210.13934	1.4
211.14771	9.7
212.07870	0.9
213.12804	3.4
213.16365	10.3
215.10703	0.9
215.14279	7.0
217.15810	7.8
219.11748	1.2
219.17342	1.4
221.13275	2.7
223.14838	3.9
225.16353	5.5
227.14294	3.3
227.17912	3.2
229.15854	6.8
229.19559	1.2
229.49744	1.2
231.13889	2.2
231.17442	3.5
235.14832	2.8
236.15439	1.0
237.16373	4.1
239.17931	6.1
241.15865	2.0
241.19598	2.4
243.13879	1.3
243.17413	1.5
245.15387	3.4
247.14816	1.7
249.16344	2.1
249.18523	7.0
251.17979	3.4
253.19490	2.2
255.13701	1.8
257.15439	1.2
259.17029	2.9
263.17908	1.6
265.19528	3.2
273.18552	1.9
277.19415	1.3
279.20956	1.2
283.16992	1.8
283.20496	1.0
285.18573	2.0
287.05420	12.8
288.05896	1.3
289.19373	1.4
291.21204	1.1
295.17068	1.2
297.18549	2.3
303.05161	1.6
303.20941	2.1
305.22476	1.1
307.20560	1.5
311.19873	2.3
315.20981	1.3
329.22754	1.6
333.25690	1.4
343.24023	1.6
345.25751	1.6
353.24738	1.7
367.22659	1.2
385.28699	5.1
391.26343	3.0
403.29980	23.3
404.30450	1.9
405.31470	2.4
413.30405	1.7
419.29395	7.0
421.31137	4.6
431.29446	17.6
431.35031	1.3
449.30414	100.0
450.31094	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	449.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
51.36842	0.4
53.03941	3.7
55.01851	1.2
55.05490	1.1
57.03432	2.5
61.02913	1.8
69.03419	21.7
69.52769	0.4
69.53091	3.1
71.04957	0.9
73.02905	0.8
74.85372	0.3
77.03914	0.9
79.05044	0.6
79.05479	7.8
81.02973	0.6
81.03410	8.7
83.04965	3.9
85.02893	17.1
87.04454	1.5
91.03935	0.9
95.04967	4.7
97.02879	3.5
99.04444	2.8
103.03927	0.8
105.03374	100.0
106.03703	1.5
109.02859	5.9
111.04425	4.7
123.04409	16.5
123.05312	0.9
127.03897	6.7
129.05467	8.7
136.42598	0.4
137.07101	0.7
145.04936	2.6
147.04459	0.7
147.06497	4.6
148.04633	0.4
155.08168	0.6
165.05510	0.7
165.07565	6.0
183.08627	13.7
230.33231	0.4
231.06425	2.0
249.07574	7.8
267.08609	23.8
268.09030	0.8
287.05402	4.1
313.60608	0.4
332.33234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01856	1.5
55.05499	1.1
57.03446	3.0
61.02921	2.2
61.39380	0.7
69.03424	20.9
70.88364	1.9
71.04981	1.1
73.02931	0.9
77.03914	0.8
79.05495	8.6
81.03410	7.4
83.04977	4.9
85.02898	18.8
87.04404	1.1
87.25025	0.7
91.03919	1.3
91.05487	0.8
92.74256	0.6
95.04967	4.3
97.02885	4.6
99.04471	3.5
103.03957	1.0
105.03382	100.0
106.03710	1.5
108.81181	0.6
109.02884	5.4
111.04446	4.7
114.16811	0.6
123.04419	19.3
123.05314	1.2
127.03905	7.8
128.78793	0.7
129.05469	7.6
145.04936	2.3
147.06487	5.9
165.07582	6.6
165.37964	0.6
167.07076	1.6
183.08624	14.5
213.11203	1.5
218.10194	0.6
230.68991	0.7
231.06499	1.8
249.07516	8.4
267.08621	28.1
268.09024	0.8
287.05505	4.7
340.39117	0.8
408.82599	0.9
444.21231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.8
53.03941	3.9
55.01855	1.1
55.05505	1.2
57.03425	2.6
61.02913	2.7
69.03418	22.0
70.95566	0.7
70.95921	0.9
71.01323	0.5
71.04976	1.2
73.02904	0.6
77.03924	1.2
79.05482	7.7
81.03408	8.8
83.04969	4.5
85.02891	18.7
87.04446	1.7
91.03960	1.0
95.04954	4.9
97.02872	4.2
99.04451	3.8
103.03940	0.7
105.03373	100.0
106.03699	2.1
109.02863	5.2
111.04419	5.0
121.02794	0.5
123.04411	18.1
127.03896	7.2
129.05453	7.4
135.04369	0.8
137.07071	0.6
145.04979	2.2
147.04448	0.6
147.06488	5.5
148.04747	0.7
165.05444	0.5
165.07570	5.8
183.08609	13.6
184.34459	0.4
192.47075	0.5
196.27946	0.4
231.06482	1.4
249.07578	7.8
249.26982	0.5
267.08588	27.4
268.09009	0.7
274.43344	0.4
287.05475	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	449.1072
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.01870	0.1
65.03918	0.3
68.99781	0.3
69.03400	0.4
70.15263	0.5
81.03397	0.5
85.02876	0.5
91.05401	0.2
95.04949	0.7
97.02875	0.3
109.02843	0.4
111.00788	0.1
111.04409	0.2
115.05439	0.2
121.02843	9.8
123.04382	0.1
127.03889	0.3
129.07002	0.2
133.06413	0.2
137.02312	1.9
137.03290	0.2
137.05975	0.2
139.03854	1.7
139.05467	0.2
143.04869	0.2
145.06444	0.2
147.04417	0.3
149.02325	0.4
150.03061	0.1
156.82401	0.1
157.06456	0.4
161.05904	0.4
163.03897	0.3
165.01753	0.2
167.06982	0.1
171.04384	0.2
175.03786	0.2
185.05931	0.4
189.05434	0.3
193.04883	0.2
199.03862	0.2
203.07018	0.2
213.05385	1.7
214.05902	0.2
216.04036	0.2
231.06459	0.7
241.04893	1.0
259.06061	0.3
265.07059	0.3
269.04437	0.3
283.08157	1.6
287.05435	100.0
288.05789	3.8
449.10388	2.4
454.98093	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1413
Annotation	TyrMe-Met-OH
Peak:m/z	Relative Intensity
69.03411	1.0
70.89265	1.8
70.89600	0.7
85.02877	1.9
92.08954	0.6
97.02867	0.7
98.97477	0.7
99.04474	0.6
108.23029	0.7
121.06477	1.8
122.06833	1.6
127.03847	1.0
138.09137	1.2
152.04617	0.7
161.02943	0.8
175.04376	0.9
212.86163	0.8
224.12659	0.7
234.08406	0.8
287.05453	7.2
432.36978	0.7
433.65927	0.7
445.17648	0.7
449.14172	100.0
450.14429	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1074
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03929	0.2
55.01851	0.3
55.05507	0.1
57.03422	0.3
61.02903	0.5
61.51335	0.1
65.03931	0.1
67.05481	0.2
68.99780	0.4
69.03127	0.1
69.03423	1.2
69.07066	0.1
69.55657	1.0
71.04977	0.2
73.02909	0.2
79.05466	0.5
81.03418	0.7
81.07029	0.5
83.04955	0.2
85.02892	2.9
85.06517	0.2
86.09675	0.2
91.03942	0.3
91.05447	0.3
93.07059	0.7
95.04955	0.2
95.08573	0.5
97.01247	0.1
97.02872	1.0
97.06470	0.2
99.04402	0.3
104.10715	0.2
105.03391	0.2
105.06985	0.2
107.04914	0.2
107.08583	0.3
109.02852	0.4
109.06504	0.2
111.00787	0.5
113.05985	0.2
113.52278	0.1
115.03849	0.1
119.08550	0.3
121.02853	1.5
121.10128	1.0
123.04369	0.1
123.11660	0.2
124.07565	0.6
125.05903	0.1
127.03873	1.0
129.06927	0.2
133.02847	0.4
133.10121	0.2
135.07950	0.1
135.11728	0.1
136.07501	0.2
137.02316	1.3
137.05992	0.1
139.11177	0.2
141.06989	0.1
142.08623	1.0
143.05005	0.1
145.04904	0.5
145.06508	0.2
147.04375	0.6
149.02290	0.2
149.09644	0.2
153.01813	1.8
157.06456	0.5
161.05922	0.3
161.09641	0.1
164.07060	0.2
165.01785	1.1
167.10655	0.3
183.02863	0.5
184.07304	0.3
185.05910	0.4
189.05411	0.3
203.03473	0.1
203.06929	0.2
213.05443	1.5
231.06485	0.7
241.04897	1.0
242.05739	0.2
251.16385	0.2
258.05240	0.6
259.06107	0.4
269.04221	0.2
287.05450	100.0
288.05786	3.2
303.04904	0.6
311.14798	0.3
329.15912	0.2
347.63919	0.2
449.10730	1.4
449.17453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
55.01845	0.5
57.03432	4.2
68.99769	0.6
70.17806	0.7
70.18203	1.1
71.04984	27.6
73.02888	0.5
75.04481	0.7
83.04966	0.7
85.02893	29.2
87.04466	0.7
93.79844	0.5
98.21436	0.5
99.04417	0.6
111.00806	1.0
111.04424	0.6
121.02843	1.1
127.03819	0.6
129.05450	7.7
137.02345	2.2
139.56552	0.4
147.06509	1.4
153.01802	2.7
158.60666	0.4
165.01822	1.2
183.02809	0.5
201.05412	0.8
203.97906	0.4
229.04938	3.0
257.04388	1.9
274.04700	0.7
285.03964	1.1
287.05457	12.9
288.05820	0.6
303.04950	100.0
304.05353	3.9
461.84396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1072
Annotation	Distichin
Peak:m/z	Relative Intensity
55.01652	0.2
55.01865	2.4
55.05499	0.3
57.03425	3.6
59.28364	0.3
60.47614	0.3
61.02911	0.8
67.05476	0.9
69.03420	2.0
69.07042	0.6
70.50346	0.5
70.50701	0.8
71.01328	0.5
71.04967	0.8
73.02914	1.9
79.05460	0.6
81.03368	0.4
81.07034	1.2
83.04914	0.3
85.02896	3.3
87.04444	0.8
91.05461	0.6
92.02589	0.4
93.03374	1.1
93.07026	1.0
95.04924	0.6
95.08582	0.8
95.62693	0.3
97.02892	1.6
97.99234	0.3
101.49123	0.3
103.03939	0.3
105.07004	0.7
107.08545	0.9
109.02847	0.5
109.06494	0.4
109.10141	1.0
115.03915	1.3
119.08609	0.7
121.02839	1.1
121.10135	0.8
123.04396	0.5
123.08104	0.4
127.03909	0.5
133.04936	2.4
133.10120	0.8
135.08044	0.5
137.05914	0.5
137.09563	1.0
139.03883	0.9
145.10103	0.5
147.04333	0.8
147.07916	0.3
147.11678	0.4
151.03914	0.6
153.00569	0.4
153.01799	6.7
163.11189	0.3
165.01785	0.5
165.09073	0.8
167.06989	0.3
177.05498	0.6
181.04912	0.9
187.11200	0.3
201.05365	0.5
203.03311	0.4
217.05116	0.5
218.05724	0.5
228.04160	1.1
229.04924	3.0
231.02831	0.4
233.08112	0.5
245.04437	0.9
246.05247	1.5
251.20142	0.3
252.16762	0.7
257.04395	2.7
260.03015	0.4
273.03976	1.5
274.04675	3.5
284.03070	0.4
285.03857	4.0
287.05466	10.3
288.05850	0.6
288.11133	0.3
302.04160	11.7
303.04843	2.1
317.06509	100.0
318.06821	3.2
431.16974	0.4
449.18732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.107
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03936	0.1
53.58790	0.1
55.01843	0.2
55.56290	0.1
57.03424	0.2
59.96795	0.1
61.02895	0.2
64.22507	0.1
65.03919	0.2
67.05486	0.2
68.99786	0.9
69.03403	0.5
69.07037	0.2
70.17991	0.5
71.04985	0.5
71.63801	0.1
74.19064	0.1
79.05473	0.3
81.03396	0.4
81.07031	0.2
83.04925	0.1
85.02408	0.2
85.02893	2.1
85.06527	0.2
87.04461	0.1
91.05460	0.3
93.03376	0.4
93.07014	0.3
95.04939	0.6
95.08574	0.2
97.02866	0.5
97.06520	0.3
99.04460	0.3
105.03344	0.1
105.07002	0.3
107.04936	0.5
107.08597	0.3
109.02865	0.7
109.10130	0.2
110.06033	0.6
111.00778	1.3
113.05972	0.1
117.03378	0.1
117.06993	0.1
119.04958	0.1
121.02846	1.6
121.06487	0.2
121.10103	0.2
123.04398	0.6
125.09598	0.2
127.03893	0.6
129.05449	0.2
131.08545	0.1
133.02759	0.1
133.06470	0.2
135.04350	0.5
135.08067	0.2
136.07553	0.8
137.02322	3.4
137.03371	0.2
137.05942	0.2
137.09567	0.1
138.02682	0.1
145.02823	0.2
145.04935	0.2
145.06523	0.2
145.10043	0.1
146.03185	0.1
147.04387	0.3
149.02325	0.4
149.05965	0.2
152.06947	0.2
153.01802	4.5
153.05396	0.2
155.04892	0.1
155.10690	0.1
159.04408	0.2
161.05948	0.4
163.03911	0.5
164.07039	0.8
165.01819	2.7
166.02583	0.2
167.07008	0.3
168.07761	0.1
173.05949	0.5
177.01848	0.2
177.05481	0.8
178.05859	0.3
183.02875	1.0
183.04320	0.2
185.05968	0.3
187.03891	0.3
189.01915	0.1
191.03412	0.2
191.07030	0.2
191.89940	0.1
195.02922	0.2
201.05408	1.4
205.05003	0.2
207.02855	0.2
208.13698	0.1
209.08041	0.4
213.05486	0.3
215.03419	0.2
216.97888	0.2
219.06506	0.4
228.04173	0.3
229.04924	4.4
230.05312	0.2
233.04584	0.1
234.98929	0.7
239.03314	0.2
244.84256	0.1
247.06000	0.8
251.16347	0.2
257.04407	3.4
258.05032	0.2
274.04654	0.8
275.05402	0.3
280.09747	0.2
285.03882	1.4
286.04276	0.2
287.05457	17.1
287.13885	0.3
288.05884	0.6
303.04941	100.0
304.05261	3.8
317.06757	0.9
449.10614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1071
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.00121	0.1
53.03939	0.5
55.01855	0.5
55.49431	0.1
57.03425	1.1
61.02917	1.5
68.99771	0.6
69.03419	3.3
69.03796	0.2
70.17886	0.6
71.04979	0.5
73.02898	0.5
79.05471	0.2
81.03404	1.8
81.07030	0.2
83.01317	0.2
85.02891	9.8
87.04440	0.3
91.03934	0.5
95.04930	0.2
97.02272	0.2
97.02878	3.6
99.04446	0.6
105.03358	0.4
107.04961	0.3
107.08605	0.2
109.02868	1.4
111.00764	0.7
115.89149	0.1
119.04939	0.1
119.08561	0.2
121.02849	3.5
121.03808	0.2
121.10116	0.2
123.04386	0.1
126.31807	0.1
127.03905	1.8
129.07001	0.1
133.02818	0.5
135.08069	0.1
135.86635	0.1
137.02307	0.9
141.07007	0.2
145.04942	1.8
145.06474	0.2
147.04391	0.6
149.05925	0.1
153.01797	3.9
157.06500	0.3
161.05988	0.2
165.01817	1.8
167.07059	0.3
169.06343	0.1
171.04390	0.3
177.09059	0.4
183.02834	0.8
185.05975	0.6
189.05437	0.2
201.05534	0.1
203.07098	0.2
213.05418	1.5
231.06465	0.6
241.04915	0.8
243.06409	0.1
258.05215	1.3
259.06024	0.5
269.04456	0.3
274.53253	0.1
287.05444	100.0
288.02481	0.2
288.05768	4.0
303.04855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.01854	1.3
55.05510	7.3
55.05730	1.5
56.08346	0.8
56.84708	0.9
57.03427	2.7
57.07074	1.4
58.30650	0.9
65.03909	1.3
65.51498	0.9
67.05495	19.9
69.07056	7.8
70.76494	1.0
71.08604	1.3
75.44997	1.0
79.05485	17.6
81.07047	44.7
83.08588	3.8
87.04494	0.9
91.05467	21.7
93.07029	35.4
95.04953	4.9
95.08594	31.9
97.06527	2.1
97.10162	2.1
98.21507	2.7
98.98442	2.1
105.07019	51.4
106.07385	1.2
107.08578	25.6
109.06479	1.5
109.10139	20.9
111.08136	1.2
112.99973	1.2
117.06999	8.6
119.08561	29.0
121.06474	1.7
121.10125	27.5
122.10461	1.0
123.08028	1.4
123.11697	13.4
128.06192	3.4
129.06972	10.7
130.07736	1.9
131.08553	21.4
132.09190	1.1
133.10118	52.4
135.08142	1.1
135.11684	14.3
136.99963	2.6
137.13243	7.9
139.07478	1.2
141.06969	1.9
142.07774	6.2
143.08531	21.5
144.09320	1.9
145.10109	30.5
147.07999	1.5
147.11667	59.0
149.09587	3.8
149.13229	12.2
155.01013	1.3
155.08525	10.4
156.09293	2.6
157.10109	28.6
158.10600	1.5
159.08029	1.2
159.11673	30.2
161.09572	1.6
161.13235	37.1
161.86620	1.0
163.11162	3.0
163.14816	10.2
169.10100	11.0
171.11664	17.7
173.09601	1.9
173.13234	10.7
175.11177	3.8
175.14812	8.3
177.09119	1.0
177.12741	2.4
177.16336	1.9
179.10646	1.2
179.14334	1.6
181.10190	3.0
183.11667	10.8
185.09680	2.1
185.13229	14.7
187.11105	2.2
187.14810	6.6
189.12723	2.1
189.16388	1.4
191.10672	3.8
193.12242	2.8
195.10097	2.8
195.11676	3.5
197.13226	9.7
199.11218	2.1
199.14796	12.4
201.09109	1.1
201.12715	1.8
201.16302	5.3
203.10605	6.8
203.14352	2.4
205.12209	4.5
207.13751	4.3
209.11551	5.6
209.13313	3.8
211.14807	5.5
213.16383	3.6
215.10735	4.5
215.14365	1.2
217.12170	6.5
217.15730	1.6
219.13864	1.5
221.11696	1.1
223.14784	2.6
225.12831	1.3
225.16451	2.5
227.17973	1.5
229.12212	3.9
229.48569	1.1
231.13773	10.1
237.16289	3.8
239.17728	1.9
240.06947	1.2
241.19452	2.5
243.13849	5.6
245.15283	5.5
249.14796	3.3
251.17967	3.5
253.19606	6.5
254.20198	1.2
257.15338	2.9
259.16913	1.7
265.19559	2.0
269.15326	1.7
277.19589	1.0
279.20911	5.0
283.16946	1.9
287.05429	8.7
297.18451	2.2
301.18073	1.7
307.24152	27.3
309.25586	5.3
312.26065	2.4
325.25229	27.1
326.25580	1.5
327.26965	1.4
335.23596	8.3
353.24704	100.0
354.25049	3.6
371.25745	38.2
372.26056	1.9
448.25333	2.2
448.30594	18.0
449.30734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
57.03429	0.4
58.19108	0.2
59.52045	0.2
60.85077	0.2
62.06083	0.3
65.03927	0.8
69.03420	2.2
71.00330	0.7
79.05478	0.8
79.10638	0.2
81.03416	1.5
83.04971	0.5
83.51218	0.2
85.02898	2.4
87.04457	0.4
89.06020	0.9
89.51527	0.2
91.05468	5.3
92.46190	0.3
93.30505	0.3
95.04944	0.9
97.02876	1.0
99.04417	0.4
99.51028	0.3
105.03380	8.6
105.04087	0.4
107.04942	0.4
109.02869	1.1
109.10181	0.3
111.04426	0.5
119.04932	17.0
119.08527	0.3
120.05248	0.3
121.02879	0.4
122.07137	0.5
123.04419	1.6
124.07587	0.3
127.03870	1.2
129.05426	0.7
135.04410	0.3
135.06465	0.2
145.04991	0.4
147.04393	100.0
148.04698	1.6
151.03908	0.2
154.08620	1.6
155.08136	0.3
163.03932	1.5
165.05513	1.4
165.07607	0.6
166.08778	0.3
167.07050	0.3
181.93703	0.3
183.07140	0.2
183.08681	1.3
249.07544	0.6
267.08566	2.4
269.10193	1.4
287.05453	5.1
291.08572	0.3
309.09628	2.6
310.09781	0.3
386.06180	0.3
402.79999	0.3
418.12463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72332	2.7
55.05491	8.8
57.03420	4.0
57.07058	5.2
67.05486	18.2
69.07057	7.5
70.67825	2.7
71.08613	3.3
71.63038	5.4
73.13247	2.7
79.05462	17.4
81.07043	46.5
83.04945	3.1
83.08613	2.9
85.74841	3.3
91.05447	14.6
93.07023	31.9
95.04932	5.0
95.08584	38.4
98.98438	6.2
105.07026	26.4
107.08554	28.1
109.06549	3.0
109.10118	18.5
117.06998	8.0
119.08564	21.8
121.10119	53.4
123.11695	23.2
129.07004	8.7
131.08540	19.0
133.10088	23.2
135.11679	22.3
136.99947	4.6
137.13268	6.5
143.08484	15.8
145.10107	22.6
147.11661	47.3
149.13228	16.2
155.08534	4.7
157.10120	16.8
159.11662	32.9
161.13193	24.1
163.14777	8.0
169.10103	11.0
171.11653	15.8
173.13237	7.1
175.14777	9.0
181.10075	4.4
183.11670	5.9
185.13246	12.2
187.14806	12.5
189.12660	3.3
189.16315	5.0
191.10548	5.3
197.13222	3.6
199.14786	6.9
201.16383	9.0
205.12286	7.2
211.14612	3.4
213.16386	4.4
215.10712	6.7
217.12317	6.9
219.13745	4.3
223.14919	3.2
229.12186	6.7
231.13736	10.8
232.82532	3.5
279.21140	7.2
287.05460	51.1
307.24026	17.7
309.25693	3.3
325.25211	26.2
335.23474	5.1
342.47446	3.1
353.24704	100.0
354.24973	3.8
371.25754	65.5
431.34842	3.1
448.30249	17.4
448.42313	4.1
449.30588	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	448.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.09964	0.6
54.51507	0.6
55.01848	1.3
57.03426	1.1
61.02895	2.0
69.03418	5.2
70.06574	1.5
71.00833	1.0
71.01170	1.3
73.02875	1.0
81.03416	3.3
85.02893	14.2
87.04467	1.0
91.03944	0.7
91.05447	1.6
95.04950	1.5
97.02865	5.4
99.04435	1.4
103.05436	3.3
105.06993	2.8
107.04942	1.9
109.02862	2.5
115.05454	4.3
117.06984	8.4
119.04939	0.9
119.08487	0.7
121.02847	23.8
121.06456	2.2
123.04417	0.9
127.03912	3.6
130.04086	1.0
131.04907	11.1
132.05745	1.1
133.06482	6.1
135.08040	1.4
136.07545	0.7
137.02312	2.5
137.05977	0.9
138.09084	2.0
139.03867	5.0
143.04880	1.3
145.04951	3.7
145.06459	19.7
147.04379	5.3
147.08011	0.7
152.06927	0.8
153.01706	0.7
154.08618	0.9
155.06023	2.4
159.04375	5.4
160.05025	0.7
161.05948	16.0
163.03906	2.2
163.06223	1.3
163.07516	11.6
164.04213	1.3
167.07004	5.3
167.67380	0.7
173.05956	19.2
174.01015	0.6
176.04691	1.1
178.06210	7.9
180.08720	3.5
189.05417	0.8
190.06233	0.8
191.06996	15.2
192.07611	0.8
193.08582	12.3
196.67923	0.6
201.05447	1.5
205.08607	5.7
211.09677	0.8
213.05424	1.6
219.06506	16.8
221.08023	1.4
223.09612	49.1
231.06462	0.8
233.07941	1.4
237.07523	2.6
241.04808	1.1
251.09093	10.6
258.04913	0.7
265.06973	3.2
269.10159	83.8
270.10492	2.0
283.08066	4.2
286.12741	4.0
287.05453	100.0
449.10294	1.7
469.35559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3827
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03938	2.2
55.05256	2.9
55.05504	44.4
55.50680	1.8
57.07067	70.7
59.64147	1.8
64.61977	1.9
67.05486	6.8
69.07059	97.8
71.08621	49.5
71.59592	4.2
79.05462	2.3
81.07044	16.0
82.63424	1.7
83.08604	66.0
85.10169	35.3
91.05475	4.7
93.07019	4.0
95.08597	11.0
97.10155	61.0
99.11712	4.0
107.08572	11.8
109.10145	7.6
111.11707	48.5
113.13240	3.7
119.08543	3.9
121.06503	3.9
121.10106	3.1
123.08017	2.5
123.11700	2.1
125.13256	19.1
131.08572	2.7
135.08025	11.0
135.11697	2.9
137.09592	8.5
139.07529	22.0
139.14790	5.0
149.02284	2.1
149.09598	9.4
151.07530	15.9
153.09062	15.7
153.16370	3.2
163.07541	2.7
163.11220	6.4
165.09093	68.7
166.06236	2.8
167.07043	4.2
169.08572	14.8
173.09723	1.9
177.09106	10.8
179.10623	5.1
181.08575	30.2
191.10678	9.8
203.10800	2.2
205.12169	8.9
219.13847	3.2
273.22263	1.9
333.74506	2.2
337.57257	2.1
411.36526	2.7
429.37195	33.1
447.38290	100.0
448.38605	8.4
460.12463	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.4
52.03446	0.2
53.03939	4.8
53.07249	0.3
54.04251	0.3
55.01848	0.7
55.05498	1.0
57.03423	1.3
59.38914	0.3
61.02924	0.5
67.05475	0.9
69.03067	0.5
69.03419	7.3
69.07046	1.0
70.56092	0.6
71.04971	1.3
73.02920	0.5
77.03929	1.2
79.05481	4.0
80.05805	0.4
81.03406	15.4
81.07039	2.2
82.03737	0.3
83.04998	0.4
83.08601	0.5
83.77639	0.3
85.02894	8.0
85.06520	1.0
91.05434	1.6
93.07039	1.9
94.07371	0.4
95.04964	4.8
95.08605	1.6
97.02877	11.4
97.06505	0.4
97.10155	1.0
98.10465	0.4
99.04433	2.7
99.08092	0.3
100.11236	0.3
105.03377	100.0
105.06990	1.3
106.03709	1.9
107.04955	0.3
107.08586	1.0
109.02863	12.0
109.06516	0.4
109.10146	1.0
110.03206	0.4
110.10440	0.4
111.08052	0.5
117.07039	0.3
119.04922	1.5
119.08569	1.1
120.08918	0.4
121.02975	0.3
121.06525	0.4
121.10136	1.0
122.10481	0.4
123.04416	11.1
123.11686	1.0
124.04676	0.3
125.09575	0.6
127.03900	10.4
131.08595	0.4
133.06421	0.4
133.10121	0.9
134.10420	0.3
135.08023	0.4
135.11679	0.6
137.09630	0.5
143.10629	0.4
145.04933	3.5
145.10109	0.5
147.04401	6.2
147.11685	0.9
151.07541	0.4
153.01848	0.4
157.10074	0.5
159.11736	0.6
161.13245	0.4
165.05476	0.4
171.11681	0.3
171.86052	0.3
176.07649	0.3
195.06450	0.3
205.15800	0.5
213.05487	0.3
219.17561	0.4
231.06526	1.0
249.07561	33.1
250.07896	0.9
251.16469	0.6
251.20073	0.5
267.08600	25.6
268.08969	0.8
269.17386	0.3
287.05460	3.8
303.05084	0.4
317.06262	0.7
430.26459	1.0
448.22241	0.6
448.27765	2.5
449.08569	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3824
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03944	0.8
55.05494	7.4
57.07069	6.3
58.72696	0.8
60.38529	0.7
61.63693	0.7
67.05476	2.4
69.07055	6.3
70.92899	2.2
70.93267	0.9
71.08619	5.2
79.05466	1.5
81.07056	4.2
83.04968	22.0
83.08601	5.3
85.10155	2.2
89.94936	0.8
91.05454	2.7
93.07028	6.6
95.04946	1.0
95.08606	5.0
97.10138	3.1
99.08070	1.4
105.07018	1.1
107.08591	3.7
109.06494	1.2
109.10136	1.9
111.08057	2.0
111.11687	2.4
117.07001	1.0
119.08569	1.2
121.06488	12.0
121.10131	1.7
123.08055	2.4
123.11674	1.7
125.05968	1.2
127.07515	5.9
135.08035	4.9
135.11699	1.1
137.09601	3.2
137.48610	0.8
139.07515	31.5
145.10144	1.2
147.11679	1.3
149.09570	1.3
149.13208	1.5
151.07542	1.6
153.09081	4.1
153.40935	0.8
157.10098	1.6
159.11664	2.7
161.13239	1.0
163.07527	6.7
163.11148	1.7
165.09122	1.9
167.10654	1.2
169.08525	1.2
173.13202	1.2
177.12645	1.1
181.08565	9.3
181.12202	1.0
183.11720	0.9
191.10632	1.0
219.13776	0.9
223.13312	0.9
238.74806	0.9
251.16426	0.9
265.18143	0.8
301.63193	0.9
383.36868	1.1
387.36221	1.0
393.34961	3.8
411.36285	4.0
429.37198	2.2
447.38278	100.0
448.38861	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3825
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05264	2.9
55.05502	51.5
57.07066	70.1
65.04329	2.2
67.05479	7.1
68.78609	2.2
69.07054	98.6
70.75013	5.1
70.75343	2.5
71.08615	61.8
71.75506	2.0
79.05479	2.8
81.07066	11.6
81.91373	2.2
83.08605	79.4
85.10166	33.8
91.05454	2.3
93.07001	4.3
95.08581	7.9
97.10155	68.4
99.11690	3.7
105.07021	3.2
107.08543	6.2
109.10119	4.0
111.08060	3.6
111.11703	59.0
113.13178	2.5
119.08541	5.1
121.06490	4.3
125.13229	21.0
135.07991	9.7
137.09590	8.5
139.07516	25.2
139.14772	9.4
149.02290	25.7
149.09587	9.1
151.07486	16.5
153.09106	15.0
153.16420	2.5
163.07549	3.4
164.08289	4.9
165.09084	80.6
166.06267	3.8
167.03320	3.2
167.06943	5.0
169.08548	13.1
177.09030	11.0
179.10690	4.7
181.08572	34.5
191.10573	5.6
205.12216	9.2
247.98087	2.8
401.33688	3.4
429.37073	22.5
430.38000	15.5
447.38254	100.0
448.38455	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3827
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
53.03939	0.5
55.01844	0.9
55.05256	0.6
55.05502	7.9
57.07071	6.0
62.93053	0.4
67.05479	1.7
69.03435	0.6
69.07063	4.4
71.08624	4.3
71.39774	0.5
71.40096	0.6
75.95220	0.4
79.05499	0.9
81.07037	3.3
83.01334	0.6
83.04968	24.7
83.08614	3.9
85.10179	3.0
91.05451	2.3
93.07035	6.2
95.04959	0.8
95.08587	4.4
97.06496	0.7
97.10139	2.1
99.08091	1.0
105.07001	1.0
107.08571	3.2
109.06503	1.6
109.10169	2.0
109.10944	0.3
109.59831	0.4
111.08080	3.0
111.11697	1.1
117.07003	0.9
119.08565	0.9
121.06486	13.5
121.07363	0.7
121.10132	1.5
123.08042	2.8
123.11700	0.9
125.05944	0.9
125.13248	0.5
127.07539	5.2
131.08559	0.5
133.10104	0.9
135.08022	6.5
135.11670	0.5
136.30338	0.4
137.05949	0.8
137.09607	3.4
137.13216	0.4
138.06552	0.3
139.07518	38.9
140.07880	0.6
145.10103	1.3
147.11638	0.7
149.02251	0.5
149.09615	2.1
151.07533	1.4
151.14796	0.4
153.09085	4.2
159.11703	1.0
163.07515	7.3
163.08780	0.7
163.11195	1.1
165.09079	2.0
167.06915	0.5
167.10638	1.6
169.08580	1.6
169.09969	0.4
173.13243	1.1
177.09125	1.0
177.12733	0.6
179.07008	0.8
179.10657	0.6
180.07799	2.5
181.08559	9.1
181.12216	1.2
187.14809	0.4
191.10663	0.8
191.14253	0.5
195.10161	1.0
195.13792	0.9
209.15276	0.5
219.13869	0.6
223.13240	1.0
233.15196	0.4
237.14848	1.3
251.16440	1.3
265.18137	0.4
307.22519	0.5
321.24139	0.5
387.35779	0.7
391.31964	0.4
393.34885	0.6
396.60916	0.4
401.37704	0.4
405.37332	0.9
411.36285	1.2
429.37308	2.6
447.38269	100.0
448.38617	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3827
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
51.99747	1.4
53.03949	1.5
55.05502	40.3
57.07068	62.0
57.36524	1.2
63.44227	1.4
67.05494	7.2
69.07059	86.3
70.92765	1.4
70.93089	2.9
71.08622	50.4
79.05484	4.3
81.07043	15.7
83.04971	2.2
83.08607	59.9
85.10173	28.5
91.05450	2.9
93.07038	8.6
95.08605	13.2
97.10161	61.2
98.10532	1.6
99.11730	5.0
105.07027	3.9
107.08592	11.6
109.10142	7.5
111.08107	2.4
111.11707	46.4
113.13278	2.9
119.08574	3.9
121.06508	3.2
121.10133	3.1
123.08048	1.6
123.11697	2.9
125.13248	20.8
127.14759	1.7
131.08498	1.4
133.10124	1.6
135.08038	9.4
135.11678	2.4
137.09590	7.8
137.13284	1.5
138.06779	2.2
139.07509	18.1
139.14813	4.7
141.64511	1.7
143.57266	1.3
145.10123	2.4
147.11632	2.6
149.09619	7.0
149.13269	1.7
151.07518	14.4
153.09068	13.4
153.16321	3.1
159.11665	1.6
163.07498	4.3
163.11151	5.6
165.09094	62.4
166.06274	2.0
166.09450	2.4
167.07021	4.0
169.08546	8.8
175.11160	1.7
177.09053	9.0
179.10703	3.8
181.08566	24.2
182.08968	1.7
191.10629	7.7
201.12718	1.7
205.12277	6.9
219.13795	1.6
233.15237	1.8
401.33859	2.7
429.37183	24.1
447.21555	3.7
447.38297	100.0
448.38654	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	447.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.1
55.01853	6.0
55.05261	2.6
55.05503	38.5
56.05030	21.0
57.03413	7.0
57.07071	17.1
65.03917	3.7
67.05165	3.1
67.05495	49.6
69.03404	6.2
69.06712	3.1
69.07057	39.7
71.04967	3.2
71.08624	12.9
71.62813	3.5
71.63183	2.2
74.02428	38.0
75.02705	14.2
76.02995	2.4
79.05484	47.6
81.03408	25.8
81.07045	100.0
83.04975	9.7
83.08601	39.5
85.06529	5.0
85.10176	9.3
91.04886	3.9
91.05460	75.8
93.06456	3.7
93.07030	61.9
95.04957	23.3
95.08595	48.6
97.02813	2.4
97.06525	13.6
97.10162	20.2
98.98441	3.1
99.04475	1.9
99.08083	4.1
99.11733	3.3
102.05529	6.9
103.05421	2.4
105.07017	86.4
107.04952	10.0
107.08584	41.4
109.06485	8.7
109.10143	23.5
111.08067	46.0
111.11675	4.7
115.05421	3.3
117.06998	15.7
119.04911	1.9
119.08565	48.8
121.06491	10.3
121.10115	29.9
123.08022	7.5
123.11675	9.6
125.06004	2.9
125.09597	7.8
128.06187	3.5
129.07019	11.2
129.09097	23.5
130.07782	2.1
131.08563	27.5
133.06461	4.4
133.10117	52.2
135.08018	5.6
135.11670	32.7
137.05965	3.5
137.09576	4.1
137.13223	5.2
139.07588	3.8
141.06964	6.8
142.07736	3.8
143.08554	15.6
145.06483	9.2
145.10098	23.1
147.04303	2.1
147.08011	7.6
147.11674	28.9
149.02484	10.3
149.09576	8.6
149.13243	9.3
150.02983	2.5
151.07436	2.7
151.11186	2.7
155.08554	7.3
156.09311	2.0
157.10098	19.6
159.08073	3.3
159.11670	12.3
161.09540	7.7
161.13245	23.0
163.11188	9.3
163.14786	6.9
165.09111	3.3
165.12755	2.4
166.05319	43.1
166.09390	3.2
167.05664	9.8
167.08611	2.6
169.10095	8.4
171.11650	9.7
172.08641	2.2
173.09593	6.0
173.13246	13.8
175.11131	8.0
175.14806	18.0
177.09081	7.3
177.12709	2.3
179.10660	3.4
179.14314	2.4
180.09265	2.0
181.10068	3.8
182.10834	2.2
183.11658	8.5
184.07343	2.5
184.60561	1.9
185.09563	3.8
185.13264	14.2
187.11075	3.4
187.14774	10.3
189.12761	4.5
189.16388	19.8
193.04962	2.4
193.12242	12.0
195.11612	3.6
197.13354	9.2
199.14764	8.9
201.12729	2.8
201.16307	5.3
203.10582	2.5
203.14333	6.1
203.17953	6.7
205.12225	4.1
207.11844	2.2
209.13142	4.6
211.11250	2.2
211.14894	3.2
213.12729	11.8
213.16429	2.5
215.14276	7.2
219.13766	2.7
223.14851	2.6
225.16440	2.6
227.14482	2.8
227.17847	5.1
229.15808	4.9
231.13779	2.7
233.15361	2.8
235.14844	2.3
239.17944	2.6
243.13802	3.6
243.17422	4.0
249.14630	2.4
253.19592	2.3
257.15305	3.0
257.18887	2.3
263.33426	2.1
267.20947	4.7
271.16891	2.9
273.25772	20.3
275.20041	6.5
276.79462	2.3
281.22659	2.5
285.22186	2.7
289.17691	2.0
299.20157	2.7
299.23685	4.9
301.21698	2.6
301.25214	3.3
317.24869	4.4
318.27933	2.4
319.28140	4.8
329.21002	4.4
337.21402	8.2
349.23499	4.4
349.27612	2.0
355.22665	12.1
361.30435	2.4
364.28497	3.3
365.28607	36.0
365.32474	3.2
367.33640	2.6
373.23630	5.9
383.33752	9.9
401.28668	3.5
401.33936	14.8
403.24820	4.0
411.27423	5.5
411.32587	7.4
429.27957	22.6
429.33679	8.8
447.27585	99.1
447.34546	30.2
448.27951	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	447.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01849	2.9
55.05505	16.9
57.03423	7.6
57.07058	0.7
61.02923	0.8
65.03935	2.2
67.05495	35.2
69.03409	3.5
69.07056	10.3
69.56403	6.2
71.01344	1.5
71.04980	3.3
73.02914	1.0
73.04717	0.7
73.06513	0.8
74.01871	0.7
79.05480	35.3
79.52425	0.7
81.03404	50.2
81.07044	24.1
82.03732	1.1
83.04969	8.7
83.08614	12.7
85.02895	1.4
85.06509	2.8
91.05466	28.8
93.07029	36.8
93.07619	1.8
95.04952	22.9
95.08591	12.7
96.53316	0.8
97.02865	2.1
97.06522	6.0
97.10151	10.4
99.08076	1.8
103.05448	1.3
105.07011	20.4
107.04922	10.1
107.08575	20.6
109.06509	4.7
109.10139	6.7
111.04422	2.0
111.08082	5.5
115.05441	1.4
117.06992	8.8
119.04933	1.0
119.08562	15.6
121.02844	0.8
121.06490	5.6
121.10130	8.7
123.08027	2.7
125.09599	5.5
128.06189	1.8
129.06982	11.0
130.07738	1.0
131.04919	1.9
131.08551	12.6
133.06511	4.9
133.10118	7.6
135.08028	2.9
135.11671	28.2
137.05992	1.1
137.09602	2.2
141.06981	2.5
142.07796	1.5
143.08527	3.7
145.06512	4.7
145.10092	8.9
147.08009	3.9
147.11674	7.8
149.02271	2.0
149.09587	4.6
149.47218	0.8
151.07501	0.9
153.09087	0.9
155.08530	1.8
157.06477	1.3
157.10112	7.6
159.08064	2.3
159.10474	0.7
159.11629	4.1
161.09647	2.0
163.07559	1.0
163.11177	7.2
165.09035	0.9
169.10077	1.6
171.11650	1.9
173.09677	1.0
173.13150	1.8
175.11153	6.4
177.12723	1.1
179.08580	0.9
181.10236	1.0
181.12221	4.4
183.11624	2.3
185.09543	1.7
185.13264	3.3
187.07591	1.2
187.11211	2.9
189.09251	1.2
189.11215	3.8
193.12210	20.3
195.11591	1.3
197.13184	1.2
198.06702	0.8
199.11203	1.3
199.13222	1.1
199.14992	0.8
201.12721	1.8
203.14297	3.1
209.13249	1.4
211.11333	0.9
211.13191	1.8
213.12726	1.1
213.39038	0.8
216.07840	4.9
217.04988	1.4
221.13193	1.1
227.12624	1.2
231.13814	1.6
232.07343	2.2
243.13823	1.6
249.14774	3.9
255.15860	1.1
275.16516	1.3
291.20511	0.9
309.22031	0.8
319.09793	0.7
327.22977	1.0
329.21082	4.3
337.21512	3.8
347.22226	1.4
355.22632	9.5
373.23618	4.6
381.87445	0.9
403.24677	7.6
429.12805	1.4
429.25903	10.2
447.14468	9.3
447.27350	100.0
448.14630	2.2
448.27554	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	447.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03941	3.7
54.83992	0.7
55.01864	1.2
55.05505	6.0
57.03436	4.6
59.04983	2.8
59.93202	0.8
61.02917	2.1
61.52052	0.9
64.97373	0.6
67.05482	2.5
67.72139	0.7
69.03073	0.8
69.03421	11.6
69.07034	0.8
70.06582	0.9
70.54410	1.5
70.54811	1.2
71.04984	2.5
71.34552	0.7
75.04466	2.2
79.05483	25.5
81.03407	8.3
81.07046	5.6
83.04980	4.5
85.02895	11.3
85.06516	1.1
87.04447	1.1
91.05461	18.4
93.07031	92.0
94.07349	1.5
95.04937	5.2
95.08595	4.4
97.02876	7.0
97.06508	1.8
99.04445	2.6
101.05982	4.1
103.05460	3.1
105.03408	0.9
105.04504	1.2
105.07020	11.6
107.04948	1.5
107.08582	25.3
109.02880	4.7
109.06503	2.6
109.10150	0.9
111.04423	0.7
111.08067	2.0
117.06984	1.1
119.04947	0.7
119.07036	3.2
119.08567	9.4
121.02895	1.1
121.06490	3.0
121.10127	100.0
122.10458	1.6
123.04440	0.7
123.08042	2.9
123.11700	1.4
125.05970	1.4
125.09609	1.3
127.03902	6.0
129.05452	1.2
131.04912	1.5
131.08549	9.9
132.05235	1.1
133.07587	0.8
133.10152	2.2
135.08022	1.6
137.05983	1.3
137.08113	2.7
137.09587	1.0
139.11157	4.4
143.08528	0.9
145.04933	2.1
145.10100	2.5
147.04401	3.8
147.06476	0.9
147.11768	0.7
148.04720	1.4
149.09596	42.6
150.09937	1.6
151.11049	0.9
158.44963	0.7
161.09483	0.8
165.09094	0.9
167.07025	1.8
167.10661	17.1
177.05521	1.1
190.48387	0.8
191.10635	1.3
227.09085	1.0
283.15503	1.1
293.13766	5.1
311.14844	21.9
429.16479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2204
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03938	1.0
55.01858	1.1
55.05510	3.2
57.03438	3.5
61.02922	10.2
63.32852	0.3
67.05496	5.6
68.06242	0.4
69.03071	0.6
69.03423	6.8
69.07062	4.3
71.01342	0.9
71.04981	1.7
71.62731	0.6
73.02614	0.4
73.02917	3.9
79.05488	4.4
81.03413	4.6
81.07052	17.9
83.04981	2.2
83.08613	2.2
85.02412	0.7
85.02901	10.1
85.06529	2.4
86.06237	0.4
87.04456	0.5
91.03950	6.1
91.05458	5.6
92.11839	0.4
93.07034	4.5
93.13033	0.4
94.52620	0.4
95.04973	1.7
95.08034	0.6
95.08604	5.9
97.02884	7.5
97.06522	1.5
97.10152	2.4
99.04438	2.4
99.08127	0.9
101.02345	2.4
103.03934	1.2
105.07024	8.3
107.08588	4.8
109.02865	4.6
109.06499	2.2
109.10166	2.1
110.99888	0.4
111.04458	1.0
111.08081	0.6
115.03934	0.8
117.07024	0.8
119.04958	0.4
119.08566	7.8
121.02824	0.4
121.06464	0.5
121.10140	5.6
123.04415	2.8
123.08056	1.3
123.11711	5.6
123.31027	0.4
125.09631	0.8
125.12791	0.4
127.03886	4.5
127.07577	1.2
129.05522	0.5
129.06967	0.5
131.08592	1.4
133.06448	0.7
133.10115	3.6
135.08069	0.7
135.11688	1.4
137.05983	1.0
137.09592	1.4
137.13277	0.6
137.16539	0.4
141.05478	0.5
141.08977	0.5
143.08524	0.8
143.10646	0.9
145.04982	1.5
145.10117	1.4
147.04442	0.6
147.11674	16.8
149.13240	0.7
151.03789	0.5
151.07503	0.7
155.08501	0.5
157.10117	1.0
159.11737	1.5
161.09659	0.8
161.13217	0.6
163.11224	0.7
165.09071	0.4
165.12733	10.7
171.11627	0.8
173.09702	0.6
173.13298	0.9
175.11174	1.0
179.10820	0.5
180.07785	0.7
183.06534	1.2
183.13812	2.3
185.13173	0.6
186.54184	0.4
187.14804	0.5
189.05504	0.6
189.09232	0.4
189.12834	0.6
191.10738	0.5
193.12286	1.5
195.10130	0.7
199.14833	0.7
201.07579	0.8
206.28334	0.5
227.14371	0.5
229.14357	6.2
233.15233	0.6
245.15483	0.5
267.15854	5.9
275.07660	0.4
285.07590	0.9
285.16925	13.3
297.07376	0.5
299.09299	0.5
309.16891	0.9
313.16464	0.8
315.17749	1.1
323.08942	0.5
327.17920	0.5
328.77206	0.4
343.04578	0.9
391.20938	0.6
393.19186	0.7
411.20181	1.9
411.25113	0.5
429.21133	1.2
429.26346	1.1
447.21979	100.0
447.26761	4.3
448.22266	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01858	1.1
55.05510	3.2
57.03438	3.5
61.02922	10.2
63.32852	0.3
67.05496	5.6
68.06242	0.4
69.03071	0.6
69.03423	6.8
69.07062	4.3
71.01342	0.9
71.04981	1.7
71.62731	0.6
73.02614	0.4
73.02917	3.9
79.05488	4.4
81.03413	4.6
81.07052	17.9
83.04981	2.2
83.08613	2.2
85.02412	0.7
85.02901	10.1
85.06529	2.4
86.06237	0.4
87.04456	0.5
91.03950	6.1
91.05458	5.6
92.11839	0.4
93.07034	4.5
93.13033	0.4
94.52620	0.4
95.04973	1.7
95.08034	0.6
95.08604	5.9
97.02884	7.5
97.06522	1.5
97.10152	2.4
99.04438	2.4
99.08127	0.9
101.02345	2.4
103.03934	1.2
105.07024	8.3
107.08588	4.8
109.02865	4.6
109.06499	2.2
109.10166	2.1
110.99888	0.4
111.04458	1.0
111.08081	0.6
115.03934	0.8
117.07024	0.8
119.04958	0.4
119.08566	7.8
121.02824	0.4
121.06464	0.5
121.10140	5.6
123.04415	2.8
123.08056	1.3
123.11711	5.6
123.31027	0.4
125.09631	0.8
125.12791	0.4
127.03886	4.5
127.07577	1.2
129.05522	0.5
129.06967	0.5
131.08592	1.4
133.06448	0.7
133.10115	3.6
135.08069	0.7
135.11688	1.4
137.05983	1.0
137.09592	1.4
137.13277	0.6
137.16539	0.4
141.05478	0.5
141.08977	0.5
143.08524	0.8
143.10646	0.9
145.04982	1.5
145.10117	1.4
147.04442	0.6
147.11674	16.8
149.13240	0.7
151.03789	0.5
151.07503	0.7
155.08501	0.5
157.10117	1.0
159.11737	1.5
161.09659	0.8
161.13217	0.6
163.11224	0.7
165.09071	0.4
165.12733	10.7
171.11627	0.8
173.09702	0.6
173.13298	0.9
175.11174	1.0
179.10820	0.5
180.07785	0.7
183.06534	1.2
183.13812	2.3
185.13173	0.6
186.54184	0.4
187.14804	0.5
189.05504	0.6
189.09232	0.4
189.12834	0.6
191.10738	0.5
193.12286	1.5
195.10130	0.7
199.14833	0.7
201.07579	0.8
206.28334	0.5
227.14371	0.5
229.14357	6.2
233.15233	0.6
245.15483	0.5
267.15854	5.9
275.07660	0.4
285.07590	0.9
285.16925	13.3
297.07376	0.5
299.09299	0.5
309.16891	0.9
313.16464	0.8
315.17749	1.1
323.08942	0.5
327.17920	0.5
328.77206	0.4
343.04578	0.9
391.20938	0.6
393.19186	0.7
411.20181	1.9
411.25113	0.5
429.21133	1.2
429.26346	1.1
447.21979	100.0
447.26761	4.3
448.22266	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	446.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
54.80728	1.1
55.01860	1.9
55.05506	7.3
55.72054	1.1
56.05031	43.5
57.03426	2.7
67.05227	1.1
67.05502	13.1
69.03397	1.8
69.07053	10.2
70.66505	1.2
71.62607	2.2
74.02431	70.1
74.06075	3.3
75.02696	28.6
79.05478	7.9
81.03393	4.6
81.07045	16.3
83.04991	2.0
83.08603	6.1
83.22786	1.2
84.04469	1.3
85.02886	2.1
85.06545	1.4
91.05412	8.6
92.05779	1.3
93.07028	11.4
94.07355	1.3
95.04920	3.4
95.08598	12.6
96.08934	2.1
97.06503	1.7
97.10152	2.6
102.05524	12.8
105.06992	6.5
107.08582	7.5
109.06522	1.5
109.10143	7.0
111.04375	1.4
111.08060	3.8
117.07010	2.2
119.08566	9.6
120.04737	2.2
121.10134	6.7
123.11701	3.1
127.31628	1.3
129.06990	1.2
131.08548	5.5
133.10135	6.6
135.11644	4.7
137.09653	1.2
143.08559	1.9
145.10110	3.3
147.11676	3.8
148.04227	2.9
149.02664	20.7
149.09612	2.0
149.13225	3.9
151.11182	1.3
157.10126	3.0
159.08000	1.7
159.11684	3.8
161.09605	1.5
161.13255	2.0
165.09070	11.5
166.05321	100.0
166.09396	5.4
167.05624	2.1
171.11644	2.3
173.13338	2.3
175.11224	1.4
175.14735	1.5
183.11673	2.1
187.14705	1.6
193.12173	1.8
206.12437	1.2
212.98901	1.2
215.14279	1.3
290.24707	1.8
318.27927	12.9
355.22882	2.0
360.02444	1.5
364.28412	84.8
365.28616	2.9
382.29529	13.4
410.27216	7.0
428.28265	43.1
429.28217	2.1
446.29492	4.8
447.27493	12.4
447.34402	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2204
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03938	1.0
55.01858	1.1
55.05510	3.2
57.03438	3.5
61.02922	10.2
63.32852	0.3
67.05496	5.6
68.06242	0.4
69.03071	0.6
69.03423	6.8
69.07062	4.3
71.01342	0.9
71.04981	1.7
71.62731	0.6
73.02614	0.4
73.02917	3.9
79.05488	4.4
81.03413	4.6
81.07052	17.9
83.04981	2.2
83.08613	2.2
85.02412	0.7
85.02901	10.1
85.06529	2.4
86.06237	0.4
87.04456	0.5
91.03950	6.1
91.05458	5.6
92.11839	0.4
93.07034	4.5
93.13033	0.4
94.52620	0.4
95.04973	1.7
95.08034	0.6
95.08604	5.9
97.02884	7.5
97.06522	1.5
97.10152	2.4
99.04438	2.4
99.08127	0.9
101.02345	2.4
103.03934	1.2
105.07024	8.3
107.08588	4.8
109.02865	4.6
109.06499	2.2
109.10166	2.1
110.99888	0.4
111.04458	1.0
111.08081	0.6
115.03934	0.8
117.07024	0.8
119.04958	0.4
119.08566	7.8
121.02824	0.4
121.06464	0.5
121.10140	5.6
123.04415	2.8
123.08056	1.3
123.11711	5.6
123.31027	0.4
125.09631	0.8
125.12791	0.4
127.03886	4.5
127.07577	1.2
129.05522	0.5
129.06967	0.5
131.08592	1.4
133.06448	0.7
133.10115	3.6
135.08069	0.7
135.11688	1.4
137.05983	1.0
137.09592	1.4
137.13277	0.6
137.16539	0.4
141.05478	0.5
141.08977	0.5
143.08524	0.8
143.10646	0.9
145.04982	1.5
145.10117	1.4
147.04442	0.6
147.11674	16.8
149.13240	0.7
151.03789	0.5
151.07503	0.7
155.08501	0.5
157.10117	1.0
159.11737	1.5
161.09659	0.8
161.13217	0.6
163.11224	0.7
165.09071	0.4
165.12733	10.7
171.11627	0.8
173.09702	0.6
173.13298	0.9
175.11174	1.0
179.10820	0.5
180.07785	0.7
183.06534	1.2
183.13812	2.3
185.13173	0.6
186.54184	0.4
187.14804	0.5
189.05504	0.6
189.09232	0.4
189.12834	0.6
191.10738	0.5
193.12286	1.5
195.10130	0.7
199.14833	0.7
201.07579	0.8
206.28334	0.5
227.14371	0.5
229.14357	6.2
233.15233	0.6
245.15483	0.5
267.15854	5.9
275.07660	0.4
285.07590	0.9
285.16925	13.3
297.07376	0.5
299.09299	0.5
309.16891	0.9
313.16464	0.8
315.17749	1.1
323.08942	0.5
327.17920	0.5
328.77206	0.4
343.04578	0.9
391.20938	0.6
393.19186	0.7
411.20181	1.9
411.25113	0.5
429.21133	1.2
429.26346	1.1
447.21979	100.0
447.26761	4.3
448.22266	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	446.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01866	10.5
57.03432	18.2
59.04996	1.9
60.04534	0.9
61.02919	18.2
69.03421	32.9
71.01349	5.1
71.04996	1.6
71.62621	1.0
72.04520	1.0
73.02910	100.0
79.05490	1.1
81.03420	4.7
81.07052	0.7
85.02895	86.1
85.06537	0.6
86.09705	1.3
87.04464	4.9
91.03947	5.6
91.05423	0.6
93.07040	0.8
96.04511	1.6
97.02881	62.2
99.04453	4.9
102.05536	0.8
103.03934	4.8
105.07020	1.1
107.04940	1.4
109.02880	6.2
109.10132	0.8
111.04469	0.7
114.05473	0.6
115.03921	38.2
119.08549	0.7
127.03905	31.7
131.04918	2.0
131.08586	0.8
132.06548	2.6
133.04948	51.5
135.08018	1.8
137.09578	1.6
139.03902	1.4
141.08002	0.6
143.03423	0.6
144.06537	1.4
145.04942	54.2
147.04367	1.8
147.08014	1.3
150.07591	9.5
155.06038	1.4
156.06485	0.7
159.08025	1.2
162.07434	1.2
163.03931	1.5
163.05998	21.1
165.09135	1.2
169.07576	2.6
171.08008	2.1
177.05428	0.9
179.06033	0.7
180.08650	5.6
183.05490	1.1
187.05917	0.8
193.04918	2.0
195.05463	1.7
195.14767	0.7
196.06215	1.1
197.07083	1.4
199.06023	3.1
201.09050	2.2
213.06424	1.4
217.06999	1.6
221.07085	0.9
223.05992	7.4
225.06480	3.1
229.05933	1.1
231.10153	0.7
239.04390	0.5
239.08005	1.7
241.07024	9.6
243.09998	1.0
249.14735	1.4
259.08139	10.1
261.11066	0.8
271.06976	1.8
277.06226	0.8
277.09134	3.1
285.08557	2.4
294.11484	0.9
295.06958	2.5
295.10104	2.9
313.07880	2.5
314.15817	2.8
331.09158	0.9
386.09470	2.2
428.10696	5.0
446.11792	9.2
447.12473	0.8
447.18066	2.5
467.98886	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.8
55.01864	12.7
57.03434	7.6
60.04513	1.6
61.02907	7.0
67.05498	3.5
68.99773	2.4
69.03420	39.8
69.72395	11.6
70.06571	1.8
71.04989	9.9
73.02904	11.8
77.14307	1.4
79.05489	3.1
81.03403	41.0
81.07028	3.0
83.01349	2.3
83.04976	2.5
83.27203	1.7
85.02894	100.0
86.09711	1.6
87.00818	35.1
91.03919	2.5
91.05433	9.0
93.07021	14.0
95.04934	3.3
95.08589	2.8
97.02876	42.1
99.04452	17.8
103.03938	7.7
103.05436	7.1
105.01174	2.2
105.01857	32.3
105.07008	4.9
107.08540	2.2
108.04469	14.0
109.02859	39.1
109.06520	2.2
109.10128	2.2
111.04371	2.1
115.05464	1.9
117.01824	5.8
117.06999	1.9
119.08520	3.6
121.02837	1.9
121.06500	15.6
121.10080	1.7
124.68881	1.5
125.09590	1.8
126.05486	7.1
127.03896	75.3
129.01808	4.9
131.04953	8.6
133.06487	1.8
133.10095	2.4
137.09613	2.5
145.04936	37.3
145.06253	2.3
145.06563	2.4
147.02855	4.7
147.04384	4.4
149.05960	28.1
159.01683	2.1
159.02878	22.8
161.05904	2.0
163.06027	4.0
165.09071	2.0
166.06242	2.5
167.07022	11.4
173.05939	5.1
175.07417	2.7
177.05328	3.8
181.08569	98.1
183.08012	1.8
189.03937	4.1
189.12737	2.6
191.07001	3.7
193.08560	10.7
205.06891	2.3
205.08617	3.3
207.10086	5.1
213.03928	4.6
223.09642	7.7
226.08548	2.1
230.06581	4.7
231.05005	16.1
233.07953	2.0
235.09618	2.9
239.07088	1.9
243.10114	1.9
248.07628	11.6
249.05942	2.2
249.14850	5.7
261.11096	2.9
266.08701	4.0
271.09637	3.8
284.16397	11.8
289.10571	6.6
306.78000	1.7
307.11545	2.5
446.21198	5.0
459.01419	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24877	1.4
52.89101	1.4
57.03426	25.3
59.04990	3.2
60.04510	3.3
60.53954	1.4
61.02917	3.8
67.97610	1.4
69.03417	65.9
69.03797	3.2
69.28148	17.5
69.28478	1.9
71.04951	2.0
71.45058	1.2
73.02905	21.3
74.94362	1.3
75.04472	1.7
79.83071	1.4
81.03397	4.8
81.07034	1.6
85.02886	64.8
87.04446	47.0
91.03928	2.2
97.02871	65.0
99.04428	3.2
99.37368	1.6
103.05429	4.0
107.04957	2.4
109.02843	5.4
115.03902	94.6
117.03358	4.4
119.08570	2.0
127.03897	11.4
131.04898	21.7
131.08531	2.4
133.04935	100.0
139.03885	2.1
145.02831	14.3
145.04907	15.7
147.04398	6.0
149.05963	3.9
150.07596	19.1
159.08026	1.9
162.07585	2.2
163.05994	6.0
169.04945	1.8
171.07996	2.5
175.07559	1.7
177.05429	37.8
180.08658	4.5
181.04822	2.1
201.09131	2.4
223.06081	2.2
231.13889	1.9
241.07037	4.3
259.08014	4.8
277.09122	3.4
293.10074	3.5
295.10168	1.8
328.13959	1.4
339.10626	3.4
446.20395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	globosterol
Peak:m/z	Relative Intensity
50.40311	2.9
51.60682	2.8
53.03955	3.7
55.05503	24.3
55.80336	2.6
57.07072	24.9
59.36901	2.9
59.64759	3.4
60.51322	3.0
65.03941	2.7
67.05498	25.0
67.94111	3.0
69.07062	57.4
71.01360	3.7
71.08629	31.2
71.62940	4.0
79.05499	22.1
81.03363	2.9
81.07046	71.2
83.08604	25.9
85.10152	17.3
91.05452	18.1
93.07037	41.6
95.04996	5.3
95.08596	82.4
97.06519	2.8
97.10156	19.5
105.07016	54.4
105.07678	5.0
107.08592	53.8
109.06506	5.1
109.10139	47.6
111.08070	4.0
111.11670	14.7
117.07016	11.0
119.08577	33.7
121.10125	41.9
123.11684	21.5
125.13213	3.1
129.06985	4.8
131.08548	31.7
133.10117	34.9
135.08063	6.2
135.11696	28.9
137.13229	10.9
139.07565	4.8
143.08572	9.2
145.10109	35.4
145.92863	2.9
147.11668	34.0
149.09590	6.1
149.13229	21.7
151.07504	3.9
151.14839	6.7
153.09135	3.8
155.07082	15.8
155.08284	4.2
157.10152	8.9
159.11670	26.7
161.13258	18.3
163.07617	3.4
163.14825	11.8
165.09084	15.9
171.11650	8.2
172.63734	3.6
173.09682	4.6
173.13258	11.4
175.14825	8.8
177.09006	3.9
177.16373	3.9
179.10638	7.1
183.11571	5.2
185.13203	15.6
187.14867	10.4
189.16435	11.8
191.10614	20.0
193.12227	4.3
199.14758	4.6
201.16351	9.9
203.17953	9.7
205.12263	10.4
207.13853	3.2
209.11629	4.2
211.15034	3.2
213.12462	3.1
213.16364	4.4
217.12212	2.9
217.19550	4.9
219.13716	5.8
229.19514	3.4
231.21078	5.8
233.15456	7.0
233.22646	3.3
239.18105	4.0
245.15439	6.9
245.85298	3.5
247.16943	4.9
247.24156	4.7
251.16341	4.4
261.25812	11.5
263.16388	5.4
273.18634	5.8
275.61853	3.0
287.20084	13.0
305.21112	5.9
309.72626	3.1
341.31989	14.9
343.33496	33.0
367.33316	5.8
385.34811	8.6
409.34515	6.9
427.35672	60.7
445.30463	6.2
445.36731	100.0
446.36978	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.367
Annotation	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
54.20369	7.5
55.05501	37.6
57.07065	70.7
59.09235	7.5
67.05486	16.5
69.06715	9.1
69.07057	85.6
71.08614	34.5
71.31425	19.5
79.05476	21.3
81.07034	76.1
83.04970	14.6
83.08605	65.7
85.10155	22.2
91.05470	15.8
93.07027	35.4
95.08592	55.5
95.82070	8.9
97.10147	48.0
105.06989	16.9
107.08572	30.9
109.06494	8.1
109.10144	27.8
111.11764	20.9
119.08543	22.1
121.10115	21.0
123.08086	18.1
123.11695	15.1
125.13200	14.2
131.08553	12.1
132.21545	7.9
133.10100	10.1
135.08000	28.1
135.11647	13.5
137.09625	16.5
139.07521	72.8
143.08542	10.0
145.10098	16.1
147.08003	13.5
147.11636	7.9
149.09558	22.6
149.13222	20.5
151.07513	21.2
161.09610	11.4
163.07475	23.4
163.11133	15.0
163.14789	12.3
165.09097	100.0
170.83258	7.8
171.11650	18.1
175.07491	18.1
175.11169	19.4
177.09056	19.1
181.08563	14.5
187.11102	10.0
189.12796	14.7
191.10573	12.0
193.08485	10.8
202.09888	12.3
203.10643	23.1
205.12263	13.9
213.12869	9.5
216.11220	8.2
217.12180	13.4
239.26422	8.2
262.22498	10.1
307.29938	11.7
381.35016	14.8
399.36301	41.3
427.35812	46.5
445.30307	11.2
445.36584	86.1
446.37589	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	445.367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01858	0.2
55.05499	1.4
57.07048	0.6
57.76540	0.2
65.03912	0.2
67.05492	4.3
69.03397	0.5
69.07055	1.9
71.04980	0.2
71.08617	0.3
71.62959	0.2
73.43314	0.2
79.05478	1.5
79.41947	0.1
81.03384	0.3
81.06570	0.3
81.07041	5.2
83.04953	0.6
83.08611	1.1
85.02863	0.4
85.06537	0.9
91.05374	1.1
93.07027	1.7
95.04947	0.5
95.08588	4.7
95.75171	0.2
96.08930	0.2
97.02873	0.2
97.06502	0.4
97.10148	0.7
99.04408	0.2
99.08075	0.3
105.07008	1.4
107.04957	0.3
107.08588	1.7
109.06496	0.6
109.10138	5.2
111.08059	0.3
111.11693	0.5
117.06992	0.7
119.08550	3.1
121.06460	0.3
121.10121	1.0
122.07253	1.5
123.08062	0.5
123.11681	0.9
125.09595	0.3
125.13219	0.2
127.11189	0.3
127.27747	0.2
128.61699	0.2
129.06969	0.5
131.08525	0.7
133.06439	0.2
133.10095	1.1
135.07994	0.5
135.11664	0.6
137.06009	0.2
137.09593	10.0
137.13214	0.6
143.08519	0.5
145.10097	1.1
147.04344	0.2
147.08006	0.4
147.11639	0.7
149.09610	1.4
149.13220	0.6
151.07513	0.9
151.14735	0.4
153.09088	0.5
155.08524	0.3
157.10063	0.8
159.11708	0.8
159.79858	0.2
161.09631	0.3
161.13199	0.4
163.11122	0.2
163.14708	0.3
165.09082	100.0
166.09421	1.9
167.05563	0.2
169.10114	0.6
169.64880	0.2
171.11691	0.6
173.13246	0.4
175.11110	0.3
177.09128	0.4
177.12717	0.2
177.16319	0.2
179.10620	0.6
183.11739	0.5
185.09624	0.2
187.11165	0.5
189.09134	0.3
189.12691	0.3
189.16318	0.3
190.09906	0.3
191.10579	0.4
195.11761	0.3
197.13184	0.2
203.10722	0.4
203.14261	0.3
203.17810	0.3
205.12215	2.2
213.16209	0.2
219.13809	0.3
220.02109	0.2
231.13777	0.2
247.16891	0.2
275.27612	0.2
293.28305	0.5
353.24722	0.2
359.02762	0.5
361.11307	0.2
409.81445	0.2
427.12860	0.2
427.35538	0.5
445.19388	0.4
445.29227	1.5
445.36542	0.6
446.29007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01855	0.4
55.05502	2.0
56.96535	0.6
57.03419	0.3
57.07047	0.6
61.02889	0.5
65.03929	0.2
67.05163	0.3
67.05495	4.6
68.42925	0.2
69.03400	0.9
69.06709	0.2
69.07058	3.0
70.49249	0.2
70.79247	0.2
71.04967	0.3
71.08602	0.3
71.62539	0.2
79.05476	1.6
81.03394	0.4
81.06568	0.4
81.07043	5.9
83.04947	0.7
83.08619	1.2
84.08140	0.2
85.02916	0.5
85.06512	0.8
86.09671	0.3
91.05382	1.8
93.07034	2.3
95.04945	0.7
95.08593	4.9
97.02863	0.4
97.06515	0.6
97.10144	0.8
99.04453	0.2
99.08094	0.3
103.05440	0.2
105.07009	2.2
107.04971	0.4
107.08571	1.9
109.02918	0.2
109.06489	0.7
109.10140	5.8
111.08034	0.4
111.11697	0.5
113.09574	0.3
116.36282	0.2
117.06991	0.8
119.08562	4.1
120.08924	0.2
121.06491	0.6
121.10139	1.0
122.07269	1.3
123.08031	0.4
123.11678	1.1
125.09608	0.6
127.03909	0.3
128.06192	0.2
129.06956	0.5
131.08545	1.2
133.10080	1.4
135.08037	0.6
135.11690	0.7
137.09596	10.4
137.13219	0.5
141.06963	0.3
143.08554	0.8
145.06390	0.3
145.10130	1.6
147.07994	0.5
147.11659	0.8
147.60663	0.2
149.09602	1.4
149.13232	0.5
151.06429	0.2
151.07512	0.9
151.14778	0.5
151.93382	0.2
153.09035	0.4
155.08455	0.5
157.10074	0.9
159.07999	0.3
159.11673	0.9
161.09560	0.7
161.13126	0.4
163.07484	0.3
163.11119	0.4
163.14740	0.2
165.09085	100.0
166.09433	1.4
167.05540	0.3
169.10153	0.4
171.11682	0.7
173.13235	0.3
175.11183	0.4
177.09077	0.5
177.12636	0.3
177.16365	0.3
179.10629	0.5
179.14224	0.3
181.10130	0.2
181.12190	0.2
183.11676	0.5
185.13168	0.3
189.09171	0.2
189.12733	0.6
191.10612	0.5
195.11728	0.3
201.12631	0.3
203.10704	0.4
203.14189	0.3
205.12231	2.8
206.10771	0.2
221.13220	0.3
229.12117	0.3
233.15416	0.3
281.10547	0.3
293.28262	0.5
299.11612	0.2
322.11697	0.3
322.62302	0.5
346.02359	0.2
353.24493	0.3
359.02667	0.6
371.25735	0.4
381.23926	0.4
427.36121	0.3
444.68057	0.2
445.12595	0.3
445.24777	0.3
445.29239	1.8
445.36615	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.367
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
53.03926	1.0
55.01866	0.9
55.05499	7.1
57.03413	1.2
57.07067	1.7
59.67932	0.7
65.03931	0.8
65.04830	0.6
66.28800	0.6
67.05493	7.2
69.03402	1.2
69.07057	13.0
69.65856	5.0
79.05476	7.1
81.03384	1.0
81.07042	18.2
83.04986	1.1
83.08598	4.9
85.06532	1.2
91.05457	7.2
93.07026	21.8
95.04970	1.7
95.08588	26.1
96.08874	0.6
97.06503	3.2
97.10164	6.4
98.21493	0.8
99.08071	0.8
101.05970	0.8
105.07011	14.4
105.07674	1.4
107.08575	36.6
109.06494	1.4
109.10134	19.1
111.08076	1.5
111.11694	1.7
113.09621	0.8
117.06984	2.4
119.08557	18.7
121.10123	25.9
123.08053	2.1
123.11687	5.3
125.09587	1.8
129.06915	1.3
131.08545	6.2
133.10104	14.8
135.08032	1.2
135.11671	20.3
137.09590	0.8
137.13223	2.2
139.11172	5.2
143.08531	2.4
145.10095	13.0
147.11642	9.7
149.09616	1.2
149.13255	5.6
151.11143	0.7
153.12709	4.4
155.08548	1.2
157.10126	2.7
159.11665	16.2
161.13223	9.3
163.11136	1.4
163.14796	22.7
169.10127	1.2
171.11679	3.1
173.13249	7.0
175.14783	4.8
177.16367	3.1
179.14296	2.2
181.14236	1.0
181.15839	20.2
183.11728	1.9
185.13197	3.1
187.14804	12.1
189.16368	3.7
191.14233	1.9
191.17905	5.9
193.15862	1.0
197.13249	1.8
199.14787	1.2
201.16344	30.6
203.17914	24.0
209.13464	0.7
211.14740	2.3
213.16348	5.1
215.17950	4.1
219.17400	33.1
221.18912	0.9
225.16281	2.2
227.17920	7.2
229.19507	4.2
237.18448	16.8
239.17886	1.1
241.19502	1.5
243.21123	1.3
245.19044	0.9
247.20518	2.7
253.19527	3.1
255.21091	1.3
257.22574	1.3
261.22223	0.7
265.21735	1.1
267.21014	2.1
271.24338	0.9
281.22592	3.0
283.24127	4.3
295.24658	0.9
353.24600	1.1
371.25574	1.0
391.33551	11.7
400.64590	0.7
409.34573	100.0
410.34842	5.0
427.35696	24.5
445.29495	5.1
445.36697	21.6
446.37027	0.9
447.37640	0.7
458.28790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3669
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
55.05500	6.5
57.07052	2.0
58.87947	0.8
67.05494	7.7
69.07054	10.9
69.37360	3.1
69.37785	6.7
70.11732	0.9
71.08636	1.0
79.05489	7.4
81.07044	15.3
83.08609	4.7
85.06510	1.4
91.05451	7.3
93.07028	19.6
95.04907	1.1
95.08044	1.8
95.08594	25.2
97.06473	1.7
97.10145	7.2
101.05988	1.7
105.07011	11.6
107.08582	33.1
109.06488	0.9
109.10145	15.7
111.08043	1.8
111.11721	2.0
113.09667	1.1
115.61717	0.9
117.07007	1.4
119.08553	17.8
121.10120	22.9
123.08076	1.1
123.11677	5.4
125.09609	2.6
131.08530	4.1
133.10115	15.1
135.08017	1.1
135.11678	20.2
137.13266	1.5
139.11156	6.2
139.37914	0.9
143.08571	1.1
144.09335	1.3
145.10101	13.2
147.11661	11.9
149.09569	1.5
149.13234	6.3
151.14783	1.2
153.12750	4.5
157.10069	2.8
158.10931	1.0
159.11665	16.7
161.13229	9.4
163.11127	1.3
163.14793	25.1
165.16357	1.4
171.11641	2.3
173.13240	6.7
175.14824	6.5
177.16321	4.2
179.14322	2.5
181.15845	20.2
183.11646	1.1
185.13225	2.2
187.14806	11.5
188.15053	1.0
189.16315	3.4
191.14273	1.9
191.17906	4.8
197.13152	1.2
199.14824	1.3
201.16341	31.8
202.16624	1.0
203.17914	27.7
203.19711	1.9
211.14862	1.6
213.16278	4.8
215.17897	3.9
217.19391	1.5
219.17400	32.9
221.18947	1.2
225.16362	2.4
227.17957	6.7
229.19501	4.1
231.77341	1.0
237.18460	20.7
239.17839	1.7
241.19418	2.0
245.19142	0.9
247.20476	3.1
253.19453	3.1
267.21027	2.5
281.22647	2.7
283.24109	3.5
391.33545	11.3
392.33636	1.1
409.34589	100.0
410.34958	6.3
427.35638	25.6
428.35638	1.2
445.30389	1.8
445.36664	25.2
446.36829	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
55.01868	3.4
55.05510	16.6
57.07069	30.1
66.34941	2.3
67.05498	21.7
69.07059	39.6
71.08623	19.6
71.16183	4.9
73.91766	2.2
79.05483	18.2
81.07044	51.9
82.07423	2.2
82.72683	2.5
83.08620	18.0
85.10181	17.9
91.05467	17.8
93.07030	31.5
95.04968	2.6
95.08602	54.6
97.06522	2.3
97.10172	14.5
99.04456	2.3
105.07014	33.9
107.08585	36.7
109.06521	5.7
109.10152	33.4
111.11700	9.7
117.07036	5.8
119.08557	25.3
121.06477	3.3
121.10134	20.8
123.08052	3.3
123.11713	17.3
124.99554	2.2
125.13258	4.6
127.07527	3.5
129.07019	3.0
131.08540	17.7
132.84926	2.4
133.10115	29.1
135.08093	2.2
135.11670	13.6
137.05983	8.2
137.13246	8.7
139.07518	7.2
143.08578	5.8
145.10107	40.5
147.11650	24.2
149.09587	5.7
149.13245	10.1
151.07555	5.7
151.14796	7.1
157.10126	10.9
159.11667	36.0
161.09625	2.6
161.13199	16.2
163.11153	6.2
163.14798	5.0
165.09143	4.8
165.12753	2.3
165.16327	4.5
171.11674	7.6
173.13251	12.1
175.11221	4.3
175.14821	4.9
177.09068	5.3
177.12761	5.9
177.62479	2.5
179.10605	2.6
185.13257	9.5
187.11229	4.4
187.14804	8.2
189.12660	4.3
189.16391	2.7
191.10661	6.7
199.14804	10.5
201.16330	8.4
201.39316	2.9
205.12253	10.0
207.13870	3.8
207.21121	2.5
213.16420	5.9
217.15891	3.3
219.13837	4.6
221.22774	2.7
227.17921	9.4
233.22629	9.1
235.24104	4.3
241.19562	9.8
245.15364	4.4
247.24084	3.3
259.20642	4.9
269.18817	4.9
269.22620	4.5
271.24225	3.4
273.18637	4.4
283.24167	3.0
287.20093	8.0
287.23694	3.8
287.27185	4.0
305.21317	2.8
311.23315	3.7
315.23267	4.9
315.26712	5.2
325.25409	3.6
325.28894	3.4
329.24747	3.6
339.26593	2.7
341.32056	4.1
343.26132	2.9
347.33148	3.9
381.35147	52.4
385.34393	2.8
391.33734	7.8
399.36169	68.8
400.36237	3.5
409.34543	35.0
417.37213	3.4
427.35666	100.0
428.35956	6.2
445.20175	6.3
445.36761	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	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01873	6.9
55.05500	27.3
57.03412	2.8
61.02916	7.7
67.05500	24.4
69.03417	5.2
69.07051	23.5
69.45289	7.0
69.45692	21.4
71.04976	7.3
75.30419	2.6
75.88888	2.7
79.05485	25.1
81.03405	8.4
81.07043	57.3
83.04981	8.9
83.08609	10.2
83.40743	2.8
85.02885	5.2
85.06517	11.2
91.03961	2.9
91.05429	27.8
93.07031	64.6
94.07317	3.0
94.10081	2.8
95.04964	10.0
95.08036	5.1
95.08601	60.0
97.02914	6.5
97.06514	8.6
97.10142	4.3
97.28482	3.0
99.04451	16.2
101.06005	8.1
102.29575	2.9
105.07017	89.3
105.38498	2.9
107.04948	4.1
107.08580	64.2
109.06511	8.4
109.10146	33.4
111.08121	7.7
117.07009	13.5
119.08560	66.4
121.06496	10.2
121.10130	59.3
123.04462	3.4
123.08038	8.0
123.11716	9.5
125.09629	6.9
127.03902	3.2
128.06207	5.6
129.06981	18.1
130.07802	4.1
131.08543	67.8
131.09494	4.1
133.06535	3.4
133.10110	75.1
135.08078	10.3
135.11671	64.1
137.09599	6.2
139.07507	4.4
141.06960	5.5
142.07803	10.1
143.08536	40.9
144.09320	6.2
144.96072	2.9
145.06476	3.6
145.10104	82.0
147.04358	2.7
147.08058	10.3
147.11668	71.2
149.05997	4.5
149.09618	15.7
149.13254	15.2
151.07529	19.6
151.11157	5.6
153.09206	3.4
155.08551	10.9
156.09312	4.2
157.10109	47.5
158.10893	3.1
159.11662	80.5
159.44867	3.1
161.09637	13.0
161.13232	48.0
163.07529	4.4
163.11160	19.3
163.14790	6.3
165.09064	6.7
165.12743	7.7
167.05476	3.8
169.10120	13.9
171.11671	42.4
172.68997	3.3
173.09558	6.9
173.13235	32.6
175.11163	16.1
175.14821	16.6
177.09113	5.4
177.12740	34.7
179.10620	5.9
181.12265	11.5
183.11700	13.7
185.09673	4.3
185.13252	37.1
187.11162	5.9
187.14807	37.2
189.00491	6.8
189.12665	14.3
189.16351	8.1
191.10701	7.4
191.14291	9.9
193.10512	3.6
193.12256	12.4
195.12071	5.8
195.13744	30.2
196.51918	3.6
197.13235	13.6
199.11142	4.4
199.14803	37.3
201.12733	6.9
201.16409	13.6
203.14313	14.7
205.12228	6.4
205.15868	11.1
207.11806	5.2
207.13727	35.4
209.13414	4.1
209.15376	5.3
211.14899	9.5
213.12692	7.5
213.16417	5.0
215.14346	8.8
217.12245	7.8
217.15895	11.2
219.11755	4.1
219.13861	12.9
219.17433	3.8
221.15265	21.6
227.14360	4.4
231.13828	14.3
233.13379	3.2
233.15373	17.1
235.16858	5.9
239.17931	4.1
241.15733	3.4
245.15271	13.9
253.19556	4.1
255.17584	3.4
263.16113	3.6
273.18561	3.4
283.06241	4.2
287.20032	3.2
301.07443	4.5
345.25818	5.6
353.11237	8.4
353.24817	6.8
359.02594	5.1
363.26767	29.9
365.28293	6.0
373.25522	4.0
381.27844	100.0
382.28055	4.4
383.29523	13.2
391.26376	26.0
399.28925	39.3
409.27292	46.7
427.28473	58.4
445.29703	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	445.2943
Annotation	Foetidinol
Peak:m/z	Relative Intensity
54.60701	1.8
55.01859	4.0
55.05500	21.4
56.05809	2.1
57.07051	2.7
59.04980	2.3
65.03922	2.5
67.03582	1.8
67.05491	18.7
69.03392	2.5
69.07044	13.5
69.94074	10.3
71.04987	3.9
74.94904	2.0
76.64802	2.0
77.03897	2.2
79.05476	22.4
81.07047	55.0
83.04963	8.1
83.08613	4.8
85.06504	6.7
91.05451	27.9
93.06454	4.0
93.07028	57.5
94.07353	2.5
95.04926	5.1
95.08592	60.1
97.06495	6.8
97.10129	1.9
98.21481	2.3
99.04437	16.6
101.06035	10.2
105.07014	100.0
106.07321	2.9
107.08582	77.9
109.06488	6.0
109.10149	18.2
109.99245	2.2
111.08060	7.2
115.05383	2.7
115.07574	2.1
117.07011	19.0
119.08563	70.9
121.06470	6.8
121.10118	54.4
123.08033	6.6
123.11691	7.2
127.07550	3.8
128.06187	6.6
129.07001	13.5
130.07793	3.0
131.07570	4.0
131.08548	68.9
133.06429	1.9
133.10114	86.0
134.28206	1.9
135.08032	8.7
135.11674	68.8
137.09541	3.1
139.07500	2.8
141.06944	3.3
142.07732	7.2
143.08542	41.4
144.09305	6.5
145.06477	2.5
145.10104	82.7
146.10434	1.8
147.08023	11.9
147.11674	74.1
149.05936	3.7
149.09622	11.9
149.13258	19.5
151.11136	2.3
153.09142	3.7
155.08524	4.5
156.09325	4.2
157.10120	39.3
158.10796	3.5
159.07980	3.0
159.11671	73.2
161.09616	15.1
161.13234	56.6
161.14586	3.0
162.13490	2.5
163.11140	19.4
163.14790	6.6
165.09132	2.5
165.12709	6.7
169.10188	10.9
171.11674	41.0
173.09586	5.5
173.13251	46.5
175.11165	18.2
175.14806	20.5
177.09154	2.1
177.12704	35.6
177.16254	2.5
179.10593	3.4
179.14275	4.7
181.10162	2.7
181.12216	11.4
183.11655	9.1
185.09586	3.9
185.13240	37.9
187.11151	3.9
187.14784	40.8
189.12741	15.8
189.16333	9.4
191.10603	5.7
191.14310	10.8
193.10458	2.9
193.12189	17.4
195.10095	2.4
195.11765	5.0
195.13760	45.4
197.13239	9.9
199.11205	2.1
199.14772	35.6
201.12767	8.1
201.16374	10.9
201.99690	2.0
203.10623	4.5
203.14275	12.9
205.12117	7.2
205.15872	8.8
207.13760	39.6
209.11655	4.6
209.13519	3.3
209.15282	9.8
211.14743	5.9
213.12721	5.4
213.16286	4.0
215.14297	7.9
215.17772	2.3
217.12242	4.3
217.15894	8.9
219.13809	12.8
219.17267	4.2
221.13348	3.3
221.15329	22.4
223.14795	2.2
225.16406	3.9
227.14371	4.8
227.17838	2.7
229.15782	3.5
231.13844	9.9
231.17325	2.4
233.15376	12.9
235.13141	2.3
235.16919	8.1
237.14734	3.0
237.18625	2.3
239.17908	2.6
245.15390	12.9
247.16980	3.2
249.14693	3.5
249.18619	4.6
263.16296	5.3
267.17441	2.0
267.93646	2.1
285.18539	2.2
287.20059	2.3
345.25571	8.3
353.24594	4.9
363.26758	27.5
364.27502	2.5
365.28473	3.3
373.25214	4.3
381.27789	98.0
382.28247	5.7
383.29303	12.3
391.26251	31.1
399.28833	46.2
409.27356	45.2
410.27789	2.5
427.28381	67.7
428.28632	3.4
445.29492	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01868	2.9
55.05498	13.3
55.36984	1.5
57.03416	2.2
57.07078	2.5
57.09795	1.3
60.28509	1.5
61.02919	2.1
65.03906	1.8
67.05493	19.4
69.03418	11.5
69.07052	16.0
70.88650	1.6
70.88960	2.3
71.04984	10.4
73.02893	3.0
74.09681	1.5
79.05473	14.0
81.03410	10.3
81.07048	31.5
82.83819	1.3
83.04951	6.2
83.08593	4.7
83.92357	1.4
85.02893	7.3
85.06530	21.3
87.96629	1.3
91.05379	14.8
91.06279	1.4
92.05759	1.7
93.07031	30.4
95.04947	11.4
95.08590	44.6
97.02883	5.0
97.06509	6.9
97.10155	6.6
99.04438	2.5
99.08076	3.9
105.03367	2.0
105.07011	37.4
105.07673	3.0
106.07320	2.0
107.04897	2.2
107.08569	27.2
108.08922	2.0
109.02859	10.1
109.06490	7.3
109.10142	24.2
111.04411	3.1
111.08057	7.5
113.06007	1.9
113.09614	3.7
115.05410	2.1
117.06985	9.3
119.04884	2.4
119.08559	33.1
120.08913	1.5
121.02845	3.2
121.06488	9.7
121.10124	19.7
123.04387	3.6
123.08047	7.5
123.11672	7.9
125.05990	2.7
125.09614	10.7
127.03900	5.2
127.11209	3.7
128.06174	3.8
129.07018	9.2
130.07790	2.7
131.04922	2.8
131.08540	21.3
133.06453	3.8
133.10106	26.1
135.08037	6.5
135.11688	11.2
137.05974	4.5
137.09584	10.5
137.13272	2.4
139.03886	3.0
139.07578	1.5
139.11171	3.1
141.06958	6.4
142.07745	6.2
143.08543	22.9
144.09291	1.9
145.06464	2.2
145.10092	28.7
147.04402	6.0
147.08014	3.9
147.11662	15.5
149.05966	2.8
149.09583	6.6
149.13258	7.0
151.07574	7.4
151.11160	8.5
153.01787	3.2
153.05467	1.7
153.07022	2.6
153.09140	1.7
154.07779	3.1
155.08539	19.4
156.09344	3.9
157.10095	27.0
159.08018	4.4
159.11664	20.3
160.12106	1.6
161.05948	2.3
161.09602	6.1
161.13225	8.5
163.07591	1.8
163.11137	6.7
165.06870	1.6
165.09081	4.1
165.12755	3.5
166.07700	1.5
167.05730	3.0
167.07106	3.9
167.08563	4.3
168.09329	2.9
169.07668	3.3
169.10091	26.8
170.08028	1.9
171.08023	1.9
171.11638	16.5
173.09572	6.9
173.13216	11.9
175.11166	6.7
175.14815	4.0
177.05511	2.1
177.09151	2.0
177.12737	7.7
179.03430	1.7
179.06996	1.9
179.08443	2.4
179.14229	1.7
181.10088	5.3
182.10883	2.8
183.11655	22.9
185.09499	3.0
185.13257	15.6
185.66876	1.5
187.11165	7.3
187.14813	3.3
189.09042	2.5
189.12674	4.2
189.16376	3.8
191.10658	5.0
191.14275	3.0
192.09338	2.4
193.10077	4.8
193.12119	1.6
195.08160	1.9
195.11659	14.6
197.06995	3.9
197.09631	3.4
197.13177	10.5
198.07469	1.9
199.11188	2.5
199.14833	5.9
201.09103	2.0
201.12691	9.5
201.16353	3.5
203.10660	2.8
203.14236	3.4
205.10233	2.0
205.12167	3.7
207.03009	1.5
207.11670	5.7
209.13315	10.7
211.11159	5.6
211.14792	5.1
213.12737	4.0
213.16408	2.0
214.06760	2.3
215.10654	4.5
215.14288	3.7
217.12186	3.2
219.02864	2.0
219.11751	2.4
219.13789	2.1
221.13184	4.7
221.15265	2.3
223.11205	2.0
223.14731	3.9
225.06528	2.8
225.12819	2.7
225.16325	2.0
226.06923	4.5
227.14349	3.0
229.12222	7.4
229.15765	2.5
231.13788	5.3
233.13217	3.0
237.12532	2.5
237.16348	4.1
239.14194	1.7
240.08374	4.1
241.16060	2.1
243.13831	3.7
247.02396	2.9
247.14874	2.6
247.16980	2.7
249.14673	2.1
249.18556	3.6
251.14507	2.7
251.17883	3.6
263.17838	2.2
265.21619	3.3
267.15952	4.5
271.06973	2.6
272.07449	3.9
277.19336	2.6
279.17514	2.3
279.21002	5.7
286.09055	3.6
293.18854	3.5
295.06815	2.2
295.20691	2.9
296.07266	5.5
297.03857	1.9
297.07855	1.8
297.21906	3.0
303.20993	6.2
314.08521	3.6
321.22055	27.4
322.22266	2.2
323.19986	1.9
323.23615	5.8
325.21713	2.5
339.23087	19.8
341.21210	2.8
349.21600	11.8
359.02771	3.4
367.22620	35.0
385.16010	9.5
385.23615	4.5
386.17627	1.7
399.17316	4.2
409.23306	2.6
413.08582	15.3
413.17062	3.9
427.16876	7.1
427.24469	5.0
445.18387	25.9
445.25754	100.0
446.26053	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01855	0.4
55.05491	0.5
57.03419	0.7
61.02917	0.4
65.03935	0.6
67.05482	0.3
69.03428	1.4
69.66690	1.7
71.04974	0.8
73.02898	1.3
73.04742	0.5
81.03407	1.5
81.07050	0.4
83.04981	0.5
85.02886	3.3
86.09678	0.6
91.05447	6.6
97.02890	1.6
98.21465	0.5
101.05999	0.7
109.02863	0.7
115.03915	0.5
117.03288	0.3
119.04933	18.9
121.02875	0.9
127.03896	1.2
133.04912	0.9
135.04375	0.9
137.08119	0.5
137.09561	0.3
144.18782	0.3
145.02824	0.7
145.04915	1.5
147.04393	100.0
148.04710	1.7
157.64104	0.3
162.05562	0.5
163.03893	5.6
163.05962	0.7
165.05478	2.8
207.07591	0.7
208.05968	0.3
248.64459	0.3
265.10614	0.7
266.10236	0.8
291.08640	1.4
309.06485	0.5
309.09680	3.4
355.40338	0.3
359.02930	0.7
445.20132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.3
55.01867	4.2
55.05508	22.9
56.96554	13.9
56.96838	2.9
57.01748	3.2
57.03423	15.5
58.99911	2.7
59.04985	20.3
60.04515	3.2
61.02917	12.5
66.09295	3.3
66.73312	3.0
67.05482	5.2
69.03413	74.0
69.07071	5.7
70.06566	15.6
71.04990	8.6
71.62373	6.0
73.02915	11.2
73.04756	20.0
73.06557	19.1
74.06071	4.4
75.04449	3.6
76.50605	3.4
79.54313	3.0
81.03401	26.6
81.07064	3.8
82.03735	5.1
83.04974	32.5
84.08137	4.0
85.02892	95.8
85.06544	6.1
86.03239	5.9
86.06048	9.7
87.04442	7.8
89.06018	3.2
91.03947	4.5
91.05788	89.5
93.03735	3.5
93.06982	3.5
95.04947	3.2
96.35757	3.4
97.02875	53.1
98.03221	7.6
98.97557	37.2
99.04436	16.2
101.05996	62.6
103.03960	3.3
103.07590	5.8
105.07021	7.1
109.02851	34.0
109.06754	3.5
110.03186	9.4
110.97558	3.1
111.04426	9.8
113.05988	9.6
116.07145	4.1
116.98592	26.8
119.01879	6.5
119.04939	3.4
119.07032	19.8
120.08195	2.9
121.02855	63.6
121.06480	28.0
122.07011	7.3
123.11539	3.2
127.03896	49.2
128.04236	13.5
128.98595	13.7
129.05464	19.3
129.10304	3.8
131.04893	5.0
134.99605	18.0
136.06168	9.7
137.05927	3.4
138.05417	4.5
138.09105	7.1
139.03908	9.7
145.04929	22.8
146.99625	9.3
147.04382	9.2
147.06520	14.2
149.01183	5.2
149.04460	7.6
149.05931	3.0
158.99657	5.4
161.01198	7.0
161.06012	9.1
163.03894	7.7
165.07582	11.0
167.05542	46.6
167.07031	19.5
170.99593	3.1
177.00668	8.7
177.05540	4.1
183.08626	33.9
187.06030	9.4
188.06322	6.3
189.00595	3.7
193.08563	5.1
205.07071	13.5
206.07362	6.5
211.09537	4.6
219.01764	10.9
221.05110	9.1
225.04224	20.6
227.02264	6.3
227.09114	5.2
232.05823	3.4
234.98802	4.4
237.02733	31.0
238.05559	3.4
239.04362	4.6
242.07149	21.6
245.10175	3.6
245.11565	3.6
247.08188	8.2
248.08511	10.5
263.11234	4.0
265.03940	8.5
265.07172	5.1
275.09683	3.6
279.07327	5.0
283.04755	6.5
283.07663	8.8
283.12393	5.6
284.44702	3.8
286.03595	4.4
295.07507	11.4
301.05774	4.3
307.04843	11.6
325.05975	18.2
325.09949	20.9
325.14011	3.1
325.60501	7.5
334.10666	5.8
341.01758	6.1
342.99750	7.1
359.02802	74.7
360.02689	3.9
429.08759	8.8
436.14270	5.0
445.10858	100.0
445.16202	9.0
445.21240	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	444.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01851	2.8
57.03412	1.8
61.02908	2.0
65.94587	0.6
69.03419	10.4
70.95526	1.7
71.04962	3.5
73.02892	2.7
76.07967	0.6
78.19389	0.7
81.03407	14.4
81.04497	0.8
85.02891	17.7
93.93473	0.6
97.02879	35.0
99.04443	18.5
101.02363	0.8
103.07549	1.6
109.02863	100.0
110.03219	1.2
121.06502	0.9
122.07150	3.8
123.08007	3.2
127.02933	1.4
127.03895	26.3
138.09157	0.8
139.03860	0.7
145.04930	21.1
150.07713	2.4
163.05960	1.0
167.05505	0.8
169.04945	4.3
187.05984	15.3
187.08635	0.8
198.91594	0.6
205.07048	65.0
229.07114	2.5
236.84198	0.8
247.08107	12.9
250.43594	0.7
282.10892	2.1
359.03104	0.7
444.16116	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26608	0.5
51.65792	0.4
53.03930	2.9
55.01868	3.0
57.03416	2.4
58.90245	0.6
61.02915	1.0
69.03419	6.7
70.06576	0.7
70.08710	2.3
71.04984	2.8
73.02900	3.0
74.06076	1.0
81.03407	18.3
81.03898	0.9
85.02892	8.4
91.05766	2.4
97.02876	35.4
99.04437	17.2
101.11813	0.5
103.03934	1.2
103.07552	1.3
104.54781	0.5
108.04452	1.4
109.02862	100.0
110.03204	0.8
115.03894	0.9
116.07046	0.7
117.05480	0.6
121.02855	1.0
121.06512	1.2
122.07133	1.1
123.07943	1.2
127.03898	25.4
135.93047	0.5
136.06146	0.9
139.03906	0.8
145.04935	21.7
156.50607	0.5
167.05629	0.9
169.04842	0.7
187.05948	8.4
205.07043	64.1
206.07385	0.9
229.07106	0.6
247.08032	3.3
282.11078	0.8
313.08826	0.5
359.02777	1.4
411.13565	0.6
444.16321	1.9
446.24771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07793	0.8
55.05498	3.9
57.07061	1.7
59.05016	0.8
67.05496	2.2
69.07055	10.4
70.06586	3.6
71.04978	1.2
71.63083	1.3
72.98746	0.7
73.06564	1.8
79.05491	1.4
81.07043	3.3
82.61346	0.7
83.04961	1.1
83.08586	1.1
84.08155	1.1
86.09692	100.0
88.07614	5.7
91.05476	2.4
93.07047	2.5
95.04948	1.1
95.08594	2.8
97.06535	1.0
97.10152	0.8
102.09176	1.7
105.07032	2.0
106.07352	1.1
107.08579	2.8
108.08956	0.9
109.10153	2.3
112.07587	0.8
119.08586	2.3
121.06532	2.5
121.10131	1.8
123.11699	0.9
131.08563	1.3
132.10211	1.9
135.11736	1.4
145.10158	1.8
147.11699	1.0
148.12004	0.9
159.11728	1.4
163.11099	1.2
168.13893	1.9
176.15135	0.8
184.07289	1.0
186.14864	74.2
187.15022	2.0
188.15198	0.9
190.16812	0.9
202.86426	0.9
205.15900	1.4
212.28348	0.9
214.14342	28.4
265.35156	0.9
299.23175	0.9
314.19547	16.4
321.18109	0.9
338.34137	9.1
374.27902	0.9
382.36716	3.7
399.28485	32.4
426.34552	2.2
427.23111	0.8
427.27881	4.6
444.27509	1.4
444.35336	4.2
444.40576	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	444.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.26107	0.6
56.05029	6.9
57.03412	1.7
61.02914	1.7
69.03423	5.3
70.06575	2.3
71.04998	0.9
71.62228	1.4
73.02908	1.1
73.04736	0.7
74.06068	100.0
76.82817	0.7
81.03398	4.0
82.65147	0.7
84.04488	3.7
85.02888	12.4
86.06052	2.0
86.09718	0.9
87.04478	1.0
89.06029	1.4
91.05843	1.6
93.79166	0.6
94.26865	0.6
97.02869	7.0
98.06039	9.1
99.04455	1.1
102.05511	6.1
107.04932	1.2
109.02855	6.9
114.05537	1.0
116.07071	55.5
116.65623	0.7
119.04943	1.3
120.06561	15.8
121.02805	3.6
121.06428	1.0
123.04455	0.7
127.03905	5.0
139.03874	0.7
144.06534	62.2
145.02858	0.6
145.04938	6.3
147.04402	3.8
147.09181	3.1
148.09503	2.9
156.38429	0.7
162.07622	7.7
163.03860	3.2
163.06026	1.3
167.05556	1.3
228.08791	2.2
234.09616	0.7
240.08612	1.5
246.09770	2.8
264.10846	1.3
265.10571	0.9
270.09656	15.4
273.06296	0.9
281.14856	1.5
282.15588	3.3
288.10767	8.1
306.11661	3.9
359.02966	1.8
375.54776	0.8
426.13757	0.8
444.14999	0.7
444.20691	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	444.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82441	0.7
53.03937	4.8
54.03443	1.1
55.01860	4.7
55.05497	1.6
57.03428	5.4
61.02918	4.4
62.34931	0.6
69.03419	13.3
70.00161	2.4
70.06572	2.0
71.04976	4.0
73.02911	4.7
73.04718	1.0
73.06541	1.1
74.06072	1.7
81.03405	20.4
81.04510	4.3
82.04839	1.2
82.05299	1.8
83.01318	1.2
85.02894	28.6
85.06542	3.7
87.04420	1.2
91.03938	1.3
91.05769	3.9
97.02876	52.8
99.04438	21.7
101.02344	0.9
101.05994	2.4
103.03922	1.9
103.07567	15.1
107.04965	0.8
109.02862	100.0
110.03188	1.6
115.03930	0.9
116.07096	1.1
116.98592	0.7
119.07018	0.7
120.08103	1.4
121.02866	2.3
121.06487	4.9
122.07135	19.5
122.27338	1.0
123.08029	15.5
124.07468	1.4
124.08306	6.1
127.03895	35.7
129.05420	0.7
133.06447	0.7
136.06165	17.0
138.09123	2.0
139.03860	4.6
144.06532	1.3
145.04935	28.9
147.04359	0.9
150.07700	5.3
163.06024	2.0
166.08640	1.0
167.05495	1.4
169.04970	2.2
177.05568	0.8
179.06958	0.7
183.08549	1.5
187.06000	9.3
197.08055	0.8
205.07045	64.8
206.07407	0.9
232.41710	0.7
237.02789	1.8
247.08128	5.3
281.10681	5.5
282.10992	12.6
359.02905	2.3
362.01358	0.7
363.72565	0.7
398.94949	0.7
424.38208	0.7
444.16248	32.0
445.10657	1.4
445.16138	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3877
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.02365	1.5
53.03934	2.4
55.05498	16.3
57.07064	7.1
57.31941	1.3
65.03925	3.3
67.05499	30.6
69.03419	2.9
69.06702	2.6
69.07056	23.2
71.04955	2.2
71.08607	1.3
79.05482	16.1
81.07047	53.3
83.04966	2.1
83.08615	12.6
85.06527	1.6
86.09711	1.4
91.05461	13.8
93.07028	40.6
95.04978	3.1
95.08595	100.0
95.12347	1.3
97.06512	4.2
97.10143	7.9
99.08083	3.2
105.07014	29.7
107.08580	67.0
108.08921	2.3
109.06500	3.6
109.10143	84.7
110.10471	1.7
111.08052	5.0
111.11703	5.2
113.09666	2.0
117.07026	2.8
119.07766	1.3
119.08558	39.3
121.06510	3.5
121.10134	55.9
121.11021	2.8
122.10483	1.9
123.08045	3.7
123.11694	27.4
125.09631	6.2
127.11186	2.5
127.71618	1.3
129.06995	2.4
131.08548	6.5
133.10112	31.8
133.11063	2.1
134.16185	1.5
135.08043	13.8
135.11670	39.2
136.12068	1.4
137.09625	3.5
137.13234	13.2
139.11192	1.6
143.08569	4.2
145.10097	14.4
147.08018	2.6
147.11671	30.9
149.09651	3.1
149.13235	27.0
151.07542	1.7
151.11157	4.0
153.12723	2.3
157.10103	5.6
159.11679	16.6
161.09598	4.2
161.13264	24.1
162.03073	1.4
163.14801	25.7
165.09056	6.5
165.12721	3.1
167.57437	1.4
169.10146	1.9
171.11707	4.5
173.13243	11.3
175.11220	3.4
175.14799	14.8
177.12773	1.4
177.16341	10.1
179.14294	8.9
183.11612	3.3
184.04320	1.3
184.07347	1.7
185.13231	6.7
187.11133	2.6
187.14796	10.1
189.12746	2.5
189.16359	28.1
190.16800	1.6
191.14267	3.1
191.17905	31.6
192.35248	1.4
197.13261	3.5
199.14821	6.1
201.12706	2.9
201.16379	10.8
203.14282	12.0
203.17938	25.1
205.15944	2.7
205.19557	6.9
207.17436	11.1
211.14824	1.7
213.16319	3.1
215.14301	1.8
215.17924	7.3
217.15912	4.0
217.19507	20.7
219.17424	2.3
219.21054	2.9
221.18991	7.4
223.14847	1.6
225.16524	2.2
227.17978	3.9
229.19528	4.6
231.17413	2.4
233.19019	3.2
235.16914	2.2
235.20540	6.7
241.19489	2.7
245.04768	2.3
245.22681	2.7
253.19621	2.4
255.21078	1.9
257.18802	1.6
257.22797	2.1
283.16916	2.9
297.25845	2.0
299.27383	1.7
315.26810	1.8
331.30026	2.5
333.15097	2.3
335.25922	1.5
389.32156	2.9
407.32739	18.1
407.36951	2.9
425.33304	46.2
425.38351	15.6
443.19217	2.1
443.34024	8.1
443.39642	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	443.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	11.7
57.07056	8.7
63.20356	2.0
67.05500	19.4
69.07056	23.7
71.08611	3.5
79.05482	14.6
81.03403	3.5
81.07037	48.1
83.08598	12.9
85.02893	2.8
85.06552	3.7
85.10131	2.6
87.04458	4.9
89.78489	2.3
91.05470	11.0
93.07027	34.9
95.04992	3.7
95.08589	100.0
96.64761	2.2
97.10160	7.6
98.20727	6.1
105.07019	23.6
107.08579	54.9
109.10138	52.2
111.08062	3.0
111.11678	7.0
114.98817	2.1
117.07011	3.0
119.08563	35.6
121.10123	54.9
123.11671	21.4
125.09628	6.6
129.07001	3.4
131.08568	4.8
133.10112	26.0
135.11682	40.5
137.13200	5.6
139.11156	7.1
139.17346	2.2
145.10100	10.2
147.11670	21.8
149.13226	22.6
151.14824	4.8
157.10086	4.9
159.11720	11.8
160.12463	2.7
161.13231	19.8
163.14781	29.3
165.12694	4.0
171.11592	3.5
173.13268	7.3
175.11234	2.2
175.14801	14.3
177.12741	3.1
177.16324	13.7
179.14272	4.2
185.13217	5.1
187.14842	5.1
189.16338	16.7
191.17918	86.2
199.14861	4.2
201.16356	7.9
203.17924	19.7
205.19518	9.2
207.17415	5.5
215.17955	4.7
217.19484	32.3
221.18997	12.3
227.17961	2.6
229.19530	3.3
233.18982	4.0
235.20541	40.5
245.22701	2.7
247.20456	4.2
261.22171	3.2
267.15692	2.5
297.25781	2.9
302.31699	2.5
303.30310	2.5
329.28439	5.0
395.36691	5.4
397.34515	3.1
407.32608	22.6
407.37497	4.6
413.37692	7.0
425.33371	9.6
425.38559	31.2
443.18597	12.1
443.34238	10.2
443.39954	12.9
444.19214	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	443.3515
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
53.03933	1.1
55.01859	3.4
55.05499	7.2
57.07064	2.8
65.03918	1.2
65.53857	0.9
67.05493	12.2
69.03413	2.0
69.06710	1.2
69.07057	10.3
69.52281	9.3
71.04986	1.3
73.02873	1.2
79.05477	9.9
81.03413	1.1
81.07047	21.4
83.04965	2.8
83.08607	4.0
85.02895	1.2
85.06506	1.2
91.05475	8.8
93.07034	22.7
95.04929	2.6
95.08592	32.0
97.02912	1.1
97.06516	2.7
97.10155	2.7
98.20796	2.1
99.09964	0.9
101.05999	2.9
103.05447	1.0
105.07018	19.8
107.08582	33.6
109.06520	9.1
109.10142	21.2
110.10515	1.4
111.08057	2.8
111.11696	1.3
117.06998	3.1
119.08569	35.3
121.06415	1.0
121.09300	2.1
121.10126	27.3
123.08044	6.6
123.11683	6.8
125.09627	1.5
129.06871	1.2
131.08548	6.3
133.10109	22.7
135.08028	4.2
135.11674	22.5
137.09590	3.9
137.13269	2.1
139.11174	8.6
143.08530	4.7
145.10095	14.8
147.07983	1.6
147.11688	16.7
149.08493	1.0
149.09647	3.3
149.13237	6.1
151.11166	10.7
153.12715	2.5
156.38750	1.1
157.10112	7.7
159.11682	17.0
161.09567	2.9
161.13251	20.9
163.13568	1.9
163.14812	24.4
165.09114	2.1
165.12784	1.5
169.10014	1.3
171.11655	5.7
173.13255	11.8
175.11128	1.9
175.14764	7.7
177.12703	2.5
177.16425	3.5
179.14299	30.2
181.15880	3.1
183.11696	3.0
184.07352	1.6
185.13220	6.5
187.14812	12.0
189.12735	4.4
189.16354	10.1
191.14325	1.4
191.17917	3.4
193.15822	1.2
197.13255	2.7
199.14809	8.9
201.16354	21.2
202.16806	1.6
203.14313	6.1
203.17921	19.6
203.19711	1.6
205.15804	2.1
207.13809	4.5
207.17458	3.8
213.16357	3.9
215.17982	4.3
217.15866	22.0
217.19438	1.9
219.17439	4.7
227.17896	8.0
229.19472	2.5
235.16885	40.5
236.17345	1.4
239.17905	1.7
241.19537	2.1
245.04694	2.3
245.18985	2.6
253.19374	1.9
255.21062	2.9
257.22714	2.3
263.20251	1.5
269.22604	5.7
279.21240	1.3
286.39069	1.0
297.89252	1.0
389.32001	4.4
407.33008	100.0
408.33487	8.3
425.34076	38.0
426.34427	3.4
443.35098	49.3
444.30313	2.1
444.35742	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	443.3517
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.02738	2.1
50.84630	2.1
53.03934	2.5
55.05501	19.9
57.07068	5.5
59.80828	2.0
60.93410	1.7
65.03928	3.4
67.05496	25.9
69.03418	3.7
69.07066	24.0
69.63061	5.1
69.63477	8.8
71.01351	5.3
71.04987	4.2
71.08620	3.2
77.85620	2.4
79.05476	21.1
81.07050	65.6
81.92908	2.2
83.04980	7.3
83.08604	12.6
85.06535	5.5
88.93285	1.9
91.05466	23.4
93.07035	50.0
95.04955	4.5
95.08598	100.0
96.08920	2.5
97.02911	2.4
97.06524	3.3
97.10154	7.0
99.08082	3.8
105.07022	61.8
107.08584	82.4
108.08958	2.1
109.06497	9.9
109.10146	54.5
111.08064	4.9
117.07011	7.0
119.08569	63.5
121.06494	7.2
121.10130	64.6
123.08079	7.9
123.11681	24.8
125.09638	4.4
129.07016	3.3
131.08540	20.6
133.10110	52.4
133.11060	3.6
134.10420	2.4
135.08046	12.3
135.11662	29.9
137.09647	7.0
137.13289	4.8
139.11139	2.1
141.51396	2.1
143.08565	6.0
145.10112	40.1
147.08047	4.8
147.11671	51.0
149.09647	9.1
149.13245	43.9
151.07568	2.8
151.14774	3.4
155.08540	4.3
157.10103	12.2
158.10846	2.5
159.08072	2.3
159.11685	36.8
161.09674	5.9
161.13226	25.9
163.11163	12.7
163.14809	46.5
165.09114	8.0
165.12788	3.3
169.10051	3.1
171.11728	12.7
172.12418	2.3
173.09663	2.5
173.13242	28.9
175.11217	7.5
175.14813	45.5
177.12737	3.7
177.16357	42.1
183.10239	2.3
183.11684	3.2
184.07280	2.4
185.13197	11.6
187.14810	38.4
189.12746	3.5
189.16364	35.5
191.14316	8.6
191.17955	21.5
193.12250	2.7
193.15921	7.9
197.13272	4.6
199.14885	9.7
201.12845	3.2
201.16339	15.3
203.14346	7.5
203.17937	59.6
205.15831	22.1
207.17291	3.7
211.14876	5.7
213.16455	7.9
215.14391	4.6
215.17940	13.6
217.15877	14.8
217.19492	3.7
219.13876	4.4
219.17488	5.2
221.15352	9.3
223.17093	2.8
225.16512	2.3
227.17870	4.0
229.15939	4.4
229.19495	11.2
231.17361	7.9
231.21014	2.9
233.19055	4.0
235.16943	15.8
241.19429	4.0
243.17400	3.4
243.21283	2.2
245.19044	2.9
247.17061	3.2
249.18562	6.1
255.21094	2.7
265.17941	3.8
283.24283	2.5
293.22626	4.9
311.23590	9.7
313.86560	2.0
329.24603	4.4
347.25662	3.5
367.29718	2.1
379.33780	3.1
389.31863	10.7
407.33102	39.9
408.33545	2.8
418.91455	1.9
425.28922	3.5
425.34232	43.3
426.34515	4.1
443.29214	5.9
443.35297	74.0
444.35818	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39627	1.9
53.03928	3.3
55.05498	17.1
57.07053	4.8
61.79865	1.9
65.03937	1.7
67.05487	28.7
69.03393	3.4
69.07053	23.5
69.63135	12.3
71.04958	2.7
79.05474	26.0
81.06566	3.9
81.07038	58.5
83.04970	5.7
83.08607	10.7
85.02878	2.6
85.06522	5.2
91.05452	27.1
93.06550	1.3
93.07024	59.7
95.04955	5.7
95.08587	100.0
96.08921	2.1
97.06524	4.4
97.10141	6.5
98.21454	3.6
104.98618	2.0
105.07011	76.2
107.08575	76.6
109.06506	7.4
109.10134	58.9
111.08065	4.7
111.11677	1.9
117.07018	10.5
117.29403	1.8
119.08556	76.3
121.06479	11.6
121.10114	57.2
123.08065	6.3
123.11676	18.4
125.09589	2.9
129.06978	4.4
130.07774	2.9
131.08545	36.7
133.06578	1.7
133.10107	54.2
135.08025	8.0
135.11670	23.1
137.09563	5.4
137.13235	5.4
142.07729	5.4
143.08537	13.9
143.87640	1.8
144.09314	3.2
145.10091	46.6
147.08049	4.4
147.11650	38.9
147.12764	2.6
148.11916	2.0
149.09634	10.3
149.13268	19.7
155.08521	4.1
156.09326	4.5
157.10094	22.0
158.10863	2.2
159.11668	40.1
159.81830	1.8
161.09637	10.0
161.13217	38.1
163.11195	4.5
163.14790	37.8
165.09094	7.7
165.12646	2.6
165.16400	2.8
167.10745	1.9
169.10097	7.3
170.10834	2.4
171.11652	16.4
173.09627	3.8
173.13234	39.3
174.13681	1.9
175.11194	6.8
175.14780	41.8
176.15007	1.8
177.12741	7.7
177.16347	21.7
181.12175	2.2
183.11641	7.4
184.07346	1.9
185.13187	13.4
187.11070	2.4
187.14781	43.5
188.15207	1.8
189.12724	7.1
189.16335	34.2
190.16684	2.9
191.14278	34.6
191.17915	30.8
192.14624	5.1
193.12282	2.1
193.15915	2.9
195.11597	3.1
197.13254	7.8
199.11121	2.8
199.14781	22.3
200.14804	1.9
201.12729	3.2
201.16344	22.7
203.14397	10.6
203.17915	92.9
204.18317	2.7
205.15823	18.3
205.19476	4.9
207.17375	3.0
209.13409	4.3
209.15286	33.9
211.14777	3.9
213.16333	7.1
215.14233	5.7
215.17917	7.1
217.15887	22.7
217.19380	2.9
219.13766	7.9
219.17395	3.0
221.15387	7.6
225.16376	3.2
227.17903	5.4
229.15810	3.6
229.19496	2.8
231.17288	2.6
231.20976	2.9
235.16840	6.1
241.19513	2.8
243.17441	4.8
243.21028	3.5
251.17780	3.6
253.19658	2.6
255.20901	2.2
257.22583	2.8
261.00391	2.1
261.18539	2.5
283.24042	2.6
297.21957	2.2
311.23523	9.9
329.24774	2.9
343.22415	3.1
347.25674	1.9
349.28842	1.9
379.33429	2.2
389.32047	5.3
395.32901	2.3
397.34058	2.2
407.33139	21.2
425.26166	4.0
425.34409	13.9
443.27719	6.4
443.35504	22.7
459.64966	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.6
55.05501	22.8
57.03436	3.6
57.07060	6.5
60.04467	2.2
65.03938	3.7
67.05494	27.8
67.18114	2.0
68.38287	2.1
69.03417	4.4
69.07054	27.1
70.07380	2.4
71.04982	4.4
71.08610	3.8
71.62372	4.4
79.05484	23.2
81.03402	2.5
81.07044	60.0
83.04975	8.6
83.08588	12.3
83.14023	2.4
85.02856	2.5
85.06520	6.0
88.19711	2.0
90.77560	2.1
91.05463	32.4
93.07025	50.8
95.04933	11.3
95.08591	79.5
96.08921	4.9
97.02914	2.6
97.06523	6.0
97.10159	7.1
99.04455	3.9
100.20741	2.2
101.05958	3.4
103.05469	4.0
105.07016	67.9
107.04957	3.3
107.08575	62.5
108.08873	2.4
109.06479	12.0
109.10145	47.3
111.08059	5.7
115.05470	2.0
117.06985	11.5
119.08566	100.0
121.06484	9.7
121.10133	45.0
122.10511	3.4
123.08069	8.9
123.11671	15.3
125.09601	6.6
128.06215	6.9
129.06998	12.4
131.08548	40.6
133.06490	4.0
133.09099	3.7
133.10114	68.2
135.08044	9.1
135.11684	30.1
137.09569	6.5
137.13240	4.1
141.06999	6.4
142.07761	11.8
143.08556	32.9
144.09381	4.4
145.06386	2.8
145.10104	62.7
147.08005	10.0
147.11673	41.2
149.09628	15.9
149.13248	24.7
151.07542	3.2
151.11127	4.0
155.08580	11.9
156.09317	11.2
157.10104	43.0
158.10860	5.0
159.08051	4.4
159.11668	63.2
160.12000	2.4
161.09561	23.0
161.13205	19.7
163.11121	3.9
163.14796	23.7
165.09091	13.2
167.08597	2.6
169.10117	15.0
170.10887	6.1
171.11684	30.9
173.09657	6.1
173.13237	27.4
175.11212	11.5
175.14799	32.6
177.12798	10.2
177.16379	21.0
179.08553	2.1
179.10689	2.9
181.10068	5.3
183.11697	9.6
184.12378	5.4
185.13254	15.2
187.11160	3.8
187.14821	34.2
188.15266	2.5
189.09065	2.5
189.12737	11.3
189.16365	35.8
189.17906	3.8
190.16695	3.2
191.14304	9.9
191.17920	67.1
193.15858	3.1
195.11713	6.2
195.13626	2.2
197.13260	9.3
199.11115	4.2
199.14798	38.3
201.12743	3.6
201.16339	8.4
203.14281	9.4
203.17926	32.9
205.12286	2.2
205.15852	9.8
205.19516	7.8
207.13635	4.0
207.17534	2.2
209.13327	4.4
209.15326	2.1
211.14731	5.2
213.12772	2.6
213.16418	15.1
215.14319	6.6
215.17891	8.1
217.15869	39.5
217.19328	12.4
218.16084	3.5
219.17488	2.4
221.13185	4.1
221.90884	2.2
223.14816	3.0
225.16399	4.3
227.17932	4.4
229.15895	3.9
229.19504	2.5
231.13826	3.5
231.21016	2.6
235.16859	16.1
239.18034	4.1
241.19472	4.5
243.17451	3.5
243.21091	2.9
247.16920	3.7
251.18001	2.5
255.21046	5.4
267.21014	4.7
283.17139	2.2
323.27213	16.4
351.23175	3.3
361.25128	6.4
369.24081	3.1
379.26138	14.1
381.27963	4.6
389.24713	3.9
389.31982	4.4
395.32996	3.6
397.27295	13.2
407.25751	7.7
407.33231	17.4
425.26764	17.1
425.34204	23.1
426.27505	3.3
443.27829	42.7
443.34955	28.8
444.27802	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	443.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.01858	5.4
55.05504	23.4
57.03425	15.3
57.07058	4.8
59.04986	1.4
59.73724	1.5
61.02914	11.5
63.54957	1.7
65.03920	2.9
67.05495	56.9
69.03419	100.0
69.07056	16.4
71.04980	6.8
71.63084	2.9
73.02902	4.9
78.44746	1.5
79.05476	30.4
81.03408	14.6
81.07046	60.6
83.04971	39.9
83.08589	10.0
85.02888	26.3
85.06522	3.0
85.17503	1.4
86.09705	1.7
87.04453	10.0
88.07626	2.1
91.03941	4.2
91.05457	16.4
93.03406	1.6
93.07029	47.5
95.04969	4.5
95.08592	68.7
97.02901	2.4
97.06580	3.2
97.10136	4.6
99.04449	16.0
99.08077	2.0
101.06026	1.8
103.03938	5.5
105.07025	25.6
107.08576	37.6
109.06514	4.5
109.10144	35.7
111.04437	26.4
111.08099	2.9
113.09628	2.2
117.05495	1.8
117.06998	7.0
119.08562	24.1
121.06512	3.5
121.10120	30.6
123.08028	4.2
123.11683	20.8
125.09608	2.7
127.03893	2.2
129.05464	58.7
129.06915	2.5
131.08553	15.0
133.10115	16.8
135.08041	3.3
135.11681	21.4
137.09601	2.9
137.13229	8.0
143.08524	3.2
145.06468	1.5
145.10097	15.4
147.06497	18.7
147.11664	14.6
149.02312	1.8
149.09578	5.2
149.13249	15.0
151.11188	2.8
151.14806	2.1
157.10101	3.6
159.11673	14.1
161.09636	4.9
161.13231	10.0
162.03137	1.8
163.11185	3.0
163.14786	12.3
165.07591	11.8
165.09079	4.2
165.12822	2.6
171.11758	3.6
173.13235	15.0
174.13652	1.6
175.11172	2.6
175.14827	6.8
177.12772	1.7
177.16295	8.7
183.08792	1.8
184.04407	2.8
185.13222	3.4
187.11154	1.8
187.14816	7.7
189.12759	1.9
189.16417	6.9
191.14284	2.1
191.17972	2.3
193.04965	2.2
193.93146	1.9
199.14864	3.7
201.16417	4.9
203.14342	2.0
203.17970	3.2
205.15935	3.9
207.17435	4.1
207.63010	1.7
209.13341	1.8
211.14835	2.0
213.16277	1.9
215.17934	2.5
217.15854	2.5
219.17281	2.0
227.17979	2.9
231.17522	4.9
233.22701	4.6
235.17096	2.7
243.21042	17.7
245.19029	2.3
245.48744	1.5
261.22098	56.5
261.24802	2.9
262.22525	3.0
263.23639	2.1
279.23172	29.1
320.67877	4.2
379.33755	1.9
397.34421	2.5
407.27924	22.8
407.32928	3.6
425.29263	11.3
425.34024	13.9
443.22861	7.3
443.29752	8.7
443.35181	79.0
444.40530	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	443.2785
Annotation	Chabrolohydroxybenzoquinone A
Peak:m/z	Relative Intensity
53.03918	4.5
55.05505	27.7
57.07057	6.5
59.04992	6.0
61.02929	4.0
65.03937	3.5
66.35625	3.9
67.05498	35.9
67.99646	3.3
69.03413	6.8
69.07063	26.3
69.51052	29.4
71.05012	7.8
75.06122	3.0
79.05467	25.0
81.03374	4.7
81.07046	69.6
83.04958	14.8
83.08605	21.2
85.02877	5.4
85.06518	16.1
91.05471	29.3
93.07037	52.1
95.04951	13.8
95.08587	60.8
97.06484	15.3
97.10126	9.0
98.21606	3.9
99.04446	27.5
99.08057	4.6
101.05989	10.0
105.07005	58.5
107.04901	3.4
107.08575	56.7
109.06491	14.5
109.10144	67.6
109.69189	3.4
111.08026	10.3
115.07580	4.8
117.07004	13.1
119.08574	52.6
121.06472	11.3
121.10131	37.1
123.08023	9.8
123.11678	10.7
125.05997	4.4
125.09589	7.7
127.07535	4.9
128.06161	6.3
129.06952	19.7
130.07761	3.7
131.08536	39.6
133.06422	6.1
133.10114	45.2
135.08006	13.4
135.11685	23.2
137.09566	10.5
139.07486	5.6
141.06964	9.8
142.07722	8.6
143.08534	36.4
145.10115	30.8
146.10487	5.8
147.04393	4.9
147.08064	8.8
147.11658	30.3
149.05916	5.1
149.09610	21.8
149.13223	17.3
151.07556	10.2
151.11154	10.6
153.06964	5.7
155.08540	33.7
156.09277	7.1
157.10092	49.3
159.08023	6.9
159.11671	42.9
161.09584	10.7
161.13234	21.9
163.11137	10.5
163.14882	4.1
165.09073	51.5
165.12781	4.5
167.08533	8.8
168.09305	4.8
169.10104	28.1
170.10846	4.0
171.11662	26.5
173.09567	14.4
173.13197	22.2
175.11195	12.8
175.14769	15.9
177.08937	4.3
177.12758	10.0
181.10092	13.0
183.11650	26.4
185.13194	22.1
187.11143	10.2
187.14777	17.4
189.12669	8.2
189.16371	4.0
191.10648	10.2
191.14169	5.4
193.12236	7.5
195.11682	23.8
195.13632	7.5
196.12326	5.7
197.13271	19.3
199.11105	4.4
199.14806	17.3
201.16370	9.4
203.10701	4.4
203.14285	6.5
205.12209	7.1
207.11769	5.5
207.13730	11.8
209.13193	18.4
209.15326	8.9
211.14801	25.0
213.12749	6.9
213.16321	12.6
215.14218	8.7
217.12151	6.3
217.15927	5.1
219.13615	4.2
221.13367	5.6
221.15338	9.0
223.14804	16.7
225.16322	12.0
226.52357	4.0
227.14325	7.1
229.15848	7.3
231.13785	6.6
233.15318	4.8
235.16917	7.8
237.16336	13.2
239.14217	7.7
239.17815	7.1
241.12300	4.7
241.15833	6.0
243.13753	7.0
243.17355	4.1
251.17888	8.5
255.13785	6.6
257.15305	15.4
263.17944	5.5
269.15399	7.9
269.19067	5.2
271.16867	4.1
273.14920	5.5
275.16376	15.3
279.21143	5.3
283.16891	8.2
285.18765	4.1
287.16220	4.9
297.18481	5.2
301.18216	4.0
307.49893	3.7
311.20200	4.3
315.19543	4.6
325.21573	8.3
342.21832	4.5
343.22632	11.1
351.23044	9.2
361.25171	19.0
369.24216	8.0
371.23395	4.4
379.26303	55.7
381.27902	14.6
389.24677	16.4
397.22836	2.7
397.27271	44.0
407.25659	24.7
425.26593	60.6
433.35895	3.8
443.27737	100.0
444.27994	11.0
464.17960	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67868	1.6
55.05495	1.7
67.05493	2.2
69.03418	7.1
69.88072	10.2
79.05495	3.8
81.03397	4.3
81.07050	3.5
83.04971	2.2
85.02901	7.3
85.93918	1.6
91.05464	3.5
93.07041	5.2
95.04972	3.8
95.08620	1.9
97.02874	3.6
97.06520	4.3
99.04391	2.1
100.07645	1.9
105.07040	6.3
107.08583	6.3
109.02888	2.8
109.06493	3.5
111.04422	3.8
111.99803	1.7
117.07026	4.6
119.04937	1.9
119.08571	7.0
121.06464	4.0
123.04474	1.8
123.08040	2.1
123.70098	1.7
129.06970	2.3
131.08560	2.9
131.41960	1.8
133.06485	1.8
133.10132	3.2
135.08038	100.0
137.05933	2.1
141.06960	1.8
142.07799	2.4
143.08554	3.4
144.09348	2.1
144.49876	1.7
145.02840	2.1
145.10133	3.4
147.04420	7.6
147.08015	3.3
147.11696	2.3
149.09593	2.3
151.07539	3.6
155.08583	1.8
156.09303	7.9
158.07199	2.2
159.08040	6.7
159.11684	11.7
161.05959	2.5
161.09590	4.3
163.03979	2.3
169.10158	2.9
171.11664	4.5
172.08859	7.9
173.09573	19.9
177.05475	4.6
184.08859	3.6
185.09552	1.8
187.11157	49.3
189.12718	2.9
197.09648	2.2
199.11113	8.2
203.10670	11.8
212.08231	2.8
215.10635	28.4
217.12225	6.7
227.10670	6.7
233.11699	54.2
245.11720	34.1
263.12741	41.8
356.64655	1.8
367.39636	1.6
405.49493	1.7
418.89294	2.3
449.61151	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2786
Annotation	Chabrolohydroxybenzoquinone A
Peak:m/z	Relative Intensity
53.03933	4.4
55.01857	3.4
55.05293	2.1
55.05500	24.3
59.04984	2.1
61.01674	2.1
65.03926	2.0
67.05157	2.8
67.05491	29.0
68.05782	2.2
69.03415	4.5
69.07056	23.1
71.04976	10.0
71.62890	3.7
79.05476	23.1
81.07040	60.0
82.07383	3.5
83.04955	9.6
83.08598	8.5
85.02891	3.2
85.06527	13.7
91.05450	26.0
93.07030	42.7
95.04955	10.4
95.08584	64.1
97.06516	11.5
97.10150	5.4
99.04449	24.9
99.08071	2.4
101.06007	13.8
102.63714	2.2
105.07011	53.5
105.67691	1.9
107.07851	3.2
107.08577	52.3
108.08906	3.9
109.02840	2.7
109.06519	10.3
109.10136	58.5
110.10473	2.5
111.08045	5.7
113.05974	5.4
117.06971	11.4
118.26524	2.0
119.08555	43.1
120.08912	3.2
121.06492	7.8
121.10123	41.3
122.10442	2.7
123.08046	9.8
123.11675	13.9
125.09601	3.4
125.44108	2.4
127.07489	2.6
128.06171	6.4
129.06989	14.1
130.07814	2.2
131.08543	43.8
133.06456	4.5
133.09103	2.6
133.10109	45.8
134.10432	4.1
135.08029	6.5
135.10951	1.9
135.11676	18.9
137.09563	11.5
137.13257	3.6
139.11174	2.4
141.06967	8.1
141.09108	2.4
142.07773	8.4
143.08536	34.5
144.09323	3.7
145.10097	41.4
146.10463	2.6
147.08032	7.8
147.11659	28.5
148.11938	3.2
149.09602	14.2
149.13223	11.5
151.11154	9.7
153.09024	3.0
154.07747	3.5
155.08504	32.0
156.09271	4.9
157.08928	3.9
157.10118	41.3
159.07986	3.7
159.11673	39.8
161.09628	7.3
161.13258	17.1
163.11142	6.4
163.14772	8.1
165.06970	2.8
165.09081	37.5
165.12813	2.5
166.07799	2.7
167.08546	8.2
167.26888	2.3
168.09369	4.5
169.10133	31.4
169.12219	3.5
170.10750	3.2
171.11647	27.6
171.78635	2.5
172.12039	2.7
173.09566	12.2
173.13214	15.6
175.11113	11.0
175.14777	9.1
177.09027	2.7
177.12717	8.4
177.16373	5.9
178.16597	2.3
179.08475	2.8
180.09283	4.1
181.10089	14.7
181.12111	3.8
182.10822	4.2
183.11699	22.3
185.13237	22.4
187.11171	10.3
187.14796	10.3
189.12703	8.7
189.16335	5.4
191.10631	2.4
191.14307	3.2
193.10194	4.3
194.10817	4.5
195.11659	19.2
195.13748	11.8
196.12459	4.3
197.13229	19.1
199.11095	5.4
199.14786	12.6
201.12685	8.7
201.16353	5.0
203.10643	3.6
203.14149	6.1
203.17883	3.0
205.12181	5.7
205.15939	2.8
207.11726	4.2
207.13747	8.4
209.13220	16.0
209.15289	5.6
210.13943	3.4
211.11003	2.8
211.14813	22.3
213.12791	7.9
213.16374	5.1
215.10561	4.5
215.14252	5.2
215.17929	3.7
217.12224	5.5
217.15753	4.4
219.13733	2.7
221.13344	4.6
221.15335	5.7
223.14807	13.4
225.16351	11.7
227.14221	6.3
229.12267	3.8
231.13741	4.9
233.15508	3.0
235.14810	4.2
235.16916	9.8
237.16382	16.8
239.14336	3.5
239.17891	4.4
241.12190	3.3
241.15872	3.5
242.13205	2.8
243.13815	6.3
243.20854	2.1
249.16354	4.0
249.18570	2.4
251.17915	3.6
253.15813	4.3
255.13737	6.3
255.17485	3.2
257.15292	14.0
259.16815	2.4
265.19583	3.0
267.17191	2.6
269.15311	10.7
269.18817	2.5
273.14758	4.3
275.16312	21.6
279.17358	2.9
279.20953	3.7
283.16916	7.1
283.20276	3.6
285.18436	3.9
287.16376	11.3
297.18497	4.8
301.18088	3.4
309.18515	4.6
310.99084	2.1
315.19275	3.8
323.19974	2.9
324.20782	5.8
325.21542	5.0
333.22040	4.4
343.22644	6.1
345.25507	2.9
351.23175	5.6
361.25250	19.4
369.24042	3.5
379.21548	3.7
379.26254	54.8
380.26724	5.8
381.27753	9.1
389.24631	9.3
397.27365	45.0
398.27664	5.5
407.25717	25.2
407.32486	7.2
425.26755	70.5
425.33591	9.0
426.26880	3.8
443.27756	100.0
443.34558	20.8
444.28195	7.0
455.33362	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
53.51078	0.5
55.01859	1.7
57.03426	23.7
57.07054	1.4
59.04980	1.8
60.04507	0.7
61.02911	9.6
67.05471	0.5
69.03416	38.5
69.07049	1.0
69.43671	5.3
70.73277	0.6
71.01344	1.9
71.04974	1.9
71.08630	1.8
73.02903	38.0
73.70696	0.5
81.03403	5.6
85.02888	100.0
87.04451	18.4
91.03925	3.5
97.02875	50.7
99.04433	5.3
101.02382	0.8
103.03938	1.7
109.02860	6.0
114.50538	0.5
115.03909	45.7
116.09605	0.5
119.08555	0.6
124.30936	0.7
127.03893	29.1
132.06567	1.4
133.04164	0.4
133.04942	34.9
145.04930	52.8
150.07594	6.3
162.07623	0.7
163.05984	29.9
193.04922	0.7
220.04195	0.6
223.05920	4.3
241.04643	0.9
241.06963	5.0
259.08038	4.6
277.08960	1.0
293.19534	7.3
295.10184	4.2
442.24908	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	442.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01865	7.1
55.05495	1.2
57.03429	15.0
57.07068	0.8
59.04994	1.7
61.02917	11.8
67.05495	1.5
69.03421	30.4
69.07063	1.2
71.01333	4.0
71.04987	1.9
71.62309	1.6
72.04515	0.7
73.02908	63.6
79.05481	2.2
81.03408	7.0
81.07044	3.1
83.01283	0.8
85.02893	100.0
85.47649	0.6
86.03195	0.7
87.04457	4.4
91.03943	4.2
91.05463	2.8
93.07040	2.7
95.04968	0.7
95.08600	1.3
96.04429	0.7
96.53221	0.6
97.02877	51.7
98.03228	0.7
99.04419	5.2
101.02386	1.1
101.36060	0.7
103.03944	2.5
105.07035	1.8
107.08592	1.0
109.02856	8.8
109.10156	1.9
111.08145	0.7
113.02342	0.8
115.03912	26.5
119.04942	0.7
119.08561	0.9
121.10153	1.1
122.50385	0.7
123.04446	1.6
123.08072	1.0
127.03896	33.1
128.04242	0.6
129.06973	0.9
131.04951	1.0
131.08525	1.1
133.04947	35.6
133.10114	1.0
137.05957	1.1
139.03951	1.0
141.01668	0.6
145.04936	56.5
145.10225	0.8
147.04443	2.4
147.11713	1.2
150.07571	3.3
155.08618	0.8
157.10138	0.8
163.05995	23.9
163.07384	1.2
165.09146	0.8
169.04915	0.7
171.11711	0.9
177.05434	0.9
181.07190	0.7
193.05051	1.6
199.06007	1.7
217.07018	1.5
223.05948	4.8
227.16357	1.3
241.07025	6.8
245.15324	1.0
259.08075	7.0
277.09274	2.3
293.19562	2.7
295.10260	2.6
400.44687	0.7
442.24762	4.3
465.83945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03448	2.7
55.04248	3.3
55.48380	0.5
57.03409	0.5
61.02922	0.7
69.03420	2.6
69.85886	1.5
69.86296	1.1
80.05019	0.9
81.03444	0.9
81.04528	20.2
82.05317	7.1
85.02879	3.4
85.15263	0.4
87.04451	0.7
96.74236	0.5
97.02869	2.5
97.07669	0.5
99.04453	0.7
103.07573	0.7
108.05572	1.1
109.02861	1.7
118.24763	0.4
122.07135	100.0
123.07918	94.6
124.08254	1.3
127.03895	0.9
142.03212	0.6
144.04779	1.0
145.05005	0.6
160.04253	2.4
164.08168	0.7
165.07703	3.3
172.04239	1.1
197.07584	0.5
197.09761	0.4
205.07127	1.3
281.10638	58.9
282.11075	1.5
301.91171	0.4
323.11581	0.7
408.82181	0.5
414.05222	0.5
443.15903	96.6
444.16150	3.6
446.09775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92168	1.3
53.03937	1.4
55.01859	5.8
57.03425	16.7
57.07043	1.4
59.04976	1.6
61.02913	15.3
69.03069	2.0
69.03416	28.0
69.83019	7.6
71.01334	2.4
71.04974	2.6
71.08621	1.1
73.02901	75.3
75.05403	1.2
77.18551	1.2
81.03400	6.0
85.02888	100.0
87.04440	4.3
91.03919	3.8
97.02869	54.8
99.04433	3.4
103.03944	1.6
109.02862	10.1
112.39599	1.2
115.03899	23.4
118.05879	1.2
124.93774	1.2
125.91211	1.1
127.02939	2.0
127.03885	31.8
133.03995	2.3
133.04939	36.1
141.03325	1.2
145.04929	54.3
150.07611	3.5
161.35957	1.4
163.06000	30.7
169.24496	1.2
178.02159	1.2
196.36809	1.1
199.05980	1.3
223.05962	5.3
227.16295	2.0
241.07042	5.9
259.08069	9.2
277.08997	2.0
293.19513	4.6
295.10126	3.9
385.42923	1.2
385.57950	1.2
442.24576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82622	0.8
53.03927	1.9
54.71777	0.7
55.01871	6.5
57.03433	14.1
58.03726	0.8
61.02919	12.6
64.25418	0.8
67.05527	1.3
69.03421	28.9
69.50347	2.7
69.50758	5.0
71.01334	4.0
71.04972	2.3
73.02910	47.6
81.03405	6.5
81.07026	2.4
83.01306	1.1
84.04517	1.0
85.02896	100.0
85.57615	0.8
85.96523	1.1
87.04436	3.9
91.03919	4.2
91.05467	2.2
93.07024	1.6
95.04958	1.3
95.08601	1.7
97.02880	43.7
99.04418	5.0
103.03925	2.9
105.07036	1.5
107.08583	1.7
109.02876	7.1
109.10104	1.5
111.04372	1.1
115.03162	1.2
115.03925	21.5
119.08692	1.3
122.48721	0.8
127.03907	31.0
131.08519	1.0
132.06523	1.1
133.04950	31.0
133.10114	1.4
145.04948	57.3
147.04408	3.6
150.07617	2.9
163.06003	26.1
175.11224	0.9
189.53162	1.0
217.06981	1.8
223.05959	5.3
241.07101	4.8
259.08044	7.8
277.09131	1.0
293.19537	2.8
295.10153	2.0
301.85278	1.1
418.92386	0.9
442.25275	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	442.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57112	0.3
53.03938	2.0
53.20574	0.3
55.01859	2.2
55.05496	2.7
55.99704	0.4
57.03424	4.3
58.71041	0.3
59.98956	0.3
61.02912	8.3
61.96639	0.3
62.09240	0.3
62.62231	0.3
65.26275	0.3
67.05496	0.5
69.03415	15.1
69.07031	0.5
70.06572	0.4
70.89023	1.2
71.04983	5.4
73.02911	3.5
79.05466	0.7
81.03400	6.4
81.03839	0.5
81.07064	0.8
83.01283	0.5
83.04979	0.8
83.08603	4.6
85.02888	100.0
86.03217	0.8
87.04451	2.4
91.03938	5.6
92.66537	0.4
93.07019	1.2
94.24439	0.3
95.04938	0.7
95.08562	0.9
97.02875	25.8
99.04433	4.1
101.02390	0.6
101.09641	1.6
103.03920	0.9
105.07027	0.5
107.08543	0.8
109.02856	8.6
109.10139	0.8
111.08064	1.5
113.09615	1.2
115.03921	1.3
117.05480	0.7
121.06494	0.8
121.10146	0.4
123.08094	0.6
127.03893	25.1
129.09109	1.6
133.04956	0.5
135.08020	0.7
139.07523	2.6
141.09068	1.5
145.04930	48.7
146.05206	0.6
151.07529	0.9
155.10635	0.9
163.05984	23.8
163.11200	0.4
167.10712	0.5
169.08563	0.7
179.10689	1.0
190.23929	0.4
191.10643	0.5
197.11708	0.8
204.08733	0.4
209.11716	2.0
227.12750	2.5
245.13826	3.0
263.14810	5.3
289.08957	0.7
325.11215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.4
56.65268	1.2
57.03427	20.0
59.04984	2.9
61.02918	18.4
67.05461	1.3
69.03420	33.7
69.07047	1.3
70.06560	1.1
71.01334	5.1
71.05008	2.4
71.62042	1.1
73.02907	100.0
81.03409	8.6
85.02892	84.3
85.03266	1.0
85.03437	1.7
85.03649	2.1
85.10168	1.3
86.09709	1.4
87.04443	5.4
91.03925	4.6
91.05466	8.3
95.04961	1.1
95.08598	6.7
97.02878	59.9
97.06506	1.6
99.04427	4.6
103.03914	4.4
105.06973	1.7
109.02866	8.9
113.09631	6.9
114.05532	2.2
115.03909	45.7
119.04927	15.0
121.02840	3.1
123.04405	1.4
127.03894	30.6
132.06564	1.3
132.31979	1.2
133.04947	56.3
133.10081	1.2
144.06506	5.2
145.04944	47.4
147.04387	81.1
148.04709	3.6
150.07555	5.8
155.08513	2.3
156.06500	2.3
156.12030	1.4
157.04832	1.3
162.07608	3.8
163.03896	2.8
163.05992	22.3
165.05467	3.7
180.08669	8.0
181.04907	1.7
187.06053	1.5
193.04890	2.0
197.03021	1.2
199.05859	1.7
200.51143	1.4
201.08958	1.5
217.07071	2.7
223.05992	8.8
227.12732	2.2
241.07008	9.5
245.11577	1.9
245.13780	3.2
259.08093	12.9
275.14877	4.5
276.10773	2.8
277.09061	3.9
291.08331	1.2
294.11749	3.8
295.10159	6.7
309.09811	1.7
312.12695	2.7
371.67322	1.2
442.22049	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.372
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.17973	2.6
53.73809	2.8
55.05501	10.8
57.07078	3.2
61.07505	2.6
67.05494	23.3
69.07061	25.8
69.94057	14.9
70.31541	2.7
72.99969	3.4
75.40203	3.1
79.05479	16.2
81.07046	77.6
83.08624	8.3
85.06542	8.4
91.05473	11.8
93.07032	36.9
95.08590	83.0
97.06518	3.2
97.10157	7.0
100.85703	3.0
105.07017	28.5
107.08584	56.0
109.10141	47.5
111.08080	4.1
111.11744	3.5
113.09665	7.6
119.08569	42.2
121.10123	52.0
123.11700	16.6
131.08575	10.5
133.10103	31.4
135.08060	3.4
135.11676	40.2
137.09625	4.5
137.13206	6.6
139.07494	3.8
145.10089	18.4
147.11670	24.9
149.09572	2.8
149.13225	23.4
157.10197	3.2
159.11624	22.5
161.13251	25.1
163.07587	9.7
163.14766	21.8
165.09105	67.1
173.13252	15.9
175.14807	20.0
176.15218	3.0
177.09209	3.4
177.12776	3.1
177.16316	15.2
178.65611	3.2
181.08638	5.6
187.14848	13.4
189.16347	24.0
191.17918	55.7
191.19534	3.8
192.18330	3.4
193.15997	3.8
197.32329	3.4
201.16441	12.5
203.10605	4.0
203.17932	23.9
205.12346	10.0
205.17804	3.0
205.19568	12.3
207.17453	7.1
213.16486	4.0
215.17926	27.1
217.19580	10.7
219.13947	3.7
219.17534	9.4
227.17926	3.3
229.19530	8.4
231.13753	5.1
231.17538	5.4
231.21138	6.5
233.18971	25.1
235.20927	4.0
243.21114	3.4
257.22711	4.3
395.36853	7.9
405.35159	5.6
423.30844	3.5
423.36343	90.0
424.36771	7.9
441.37442	100.0
442.37759	9.5
464.91180	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3719
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.19470	1.4
55.05495	7.1
57.07066	8.4
63.00041	1.5
64.66061	1.2
67.05505	5.6
69.07056	15.2
69.27509	4.0
69.27928	11.4
71.04996	2.1
71.08639	5.2
79.05501	4.9
79.74129	1.1
81.07042	17.3
83.08613	4.7
85.10191	3.4
87.04476	3.1
87.49139	1.3
91.05447	7.8
93.07024	15.3
95.08582	22.1
97.10167	4.0
103.79982	1.1
105.07011	14.0
105.07563	1.4
105.92135	1.2
107.08578	19.2
109.06503	1.6
109.10136	14.6
111.08099	1.1
111.11745	2.4
113.09732	1.2
113.72495	1.3
113.91376	1.3
117.07011	2.3
119.08566	15.5
121.10117	15.7
123.11711	5.5
125.09674	1.4
125.13349	1.2
127.11203	1.7
129.07002	1.7
131.08548	12.0
133.10121	11.8
133.10986	1.6
135.11681	7.6
137.09651	2.4
137.13242	1.3
141.50543	1.2
143.08566	5.3
145.10092	16.4
145.11122	1.7
147.08031	2.0
147.11676	7.2
149.13297	5.0
155.08600	1.6
157.10176	4.6
159.11630	9.0
161.13246	8.6
163.11195	3.5
163.14911	2.4
165.09119	1.8
171.11786	3.8
173.09669	1.7
173.13292	4.7
175.14801	8.6
177.16345	31.0
179.10652	6.8
183.11688	2.0
185.13377	3.5
187.14874	4.0
189.16400	1.8
191.18077	4.6
197.13229	1.2
199.14833	2.2
201.16454	4.8
203.17993	2.2
205.12228	11.6
213.16460	1.7
215.18063	1.9
219.14119	3.4
219.17407	100.0
220.17804	1.7
225.16484	1.9
227.18045	2.3
233.15437	1.4
233.18980	8.7
259.17007	3.4
269.19043	1.6
273.18503	1.5
287.20148	2.0
301.21799	2.8
311.27655	2.0
367.33694	4.9
409.34793	1.6
423.37051	2.9
426.27289	1.6
441.28894	3.1
441.37503	46.9
442.37717	2.3
453.12350	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.372
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03927	4.1
53.40836	1.7
55.05287	1.9
55.05504	19.3
57.03421	3.8
57.07051	6.5
59.04988	4.9
61.02905	3.1
65.03925	2.6
67.05498	35.0
67.67905	1.6
69.03407	5.0
69.07057	33.7
71.04976	9.8
71.08624	2.9
71.32589	4.7
79.05480	21.9
81.03406	2.5
81.07047	63.7
82.07368	1.8
83.04948	3.6
83.08598	11.7
85.02895	2.3
85.06518	5.1
85.45824	1.8
91.03957	1.9
91.05468	25.4
93.07030	54.5
95.04946	5.2
95.08592	100.0
97.06502	14.8
97.10165	9.2
99.08079	8.8
102.99808	1.8
103.05465	2.0
105.07014	55.2
107.08582	76.1
108.08949	2.2
109.06488	6.1
109.10141	63.3
111.08067	4.7
111.11670	3.0
113.09634	3.7
117.06982	11.6
119.08565	76.8
120.08881	2.0
121.06512	4.8
121.10119	62.7
123.08024	5.7
123.11703	25.5
125.09630	8.6
125.27435	1.9
127.11189	20.2
128.06215	2.5
129.06985	4.1
130.07733	2.9
131.08556	24.2
133.10114	55.8
134.10437	3.2
135.08022	7.6
135.11673	50.3
137.13219	9.7
139.08641	1.9
141.06956	2.3
142.07770	3.7
143.08533	10.8
143.10649	8.3
144.09343	3.7
145.06458	2.2
145.09016	3.1
145.10117	43.6
146.44476	1.9
147.08070	3.2
147.11674	53.6
149.09569	3.2
149.13240	28.0
151.11221	3.1
151.14816	2.9
155.08484	4.4
156.09343	4.1
157.10136	13.1
159.08052	3.9
159.11688	38.1
161.09587	8.4
161.13223	42.2
163.11180	3.2
163.14792	21.3
165.09068	5.1
165.12740	1.8
169.10065	4.0
170.10863	2.4
171.11668	12.1
173.09554	2.6
173.13240	28.3
175.11217	4.5
175.14784	28.8
177.16370	20.3
179.14285	5.1
181.10094	2.1
183.11690	4.9
184.07303	3.0
185.13181	10.8
187.14812	35.6
188.15187	3.2
189.12697	7.4
189.16348	49.1
190.16728	1.9
191.14287	5.9
191.17963	33.5
193.15918	1.9
195.11545	2.5
197.13222	6.8
199.14848	10.6
201.12698	5.6
201.16359	34.9
203.14339	12.7
203.17937	48.7
205.15846	8.6
205.19516	4.2
207.13759	4.9
207.17496	5.1
211.14850	3.8
213.16373	7.0
215.14316	5.6
215.17882	20.0
217.15800	3.4
217.19469	16.0
219.13734	2.5
219.17427	6.8
221.18907	3.9
223.15059	2.2
225.16357	4.2
227.17805	4.3
229.19441	5.9
231.17595	2.8
233.15393	6.5
233.18945	7.6
237.16377	2.3
241.19589	2.6
247.20662	2.2
251.16312	5.1
253.19402	2.5
257.22552	2.6
281.22440	2.2
295.23987	2.2
297.07700	5.0
300.65747	2.0
337.28668	2.8
367.22540	2.6
397.27216	3.0
405.35104	7.6
423.36609	44.6
424.36649	3.8
441.31412	9.7
441.37173	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	441.372
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03946	2.6
55.05501	14.5
57.03409	2.8
57.07063	5.2
59.04977	2.1
62.07667	1.7
67.05496	29.9
69.03421	2.3
69.07051	24.4
71.04964	3.6
79.05478	18.3
81.07046	60.9
81.32484	1.8
83.04947	4.1
83.08607	17.1
85.06497	2.7
91.05475	18.5
93.07032	49.8
95.04953	5.2
95.08594	91.4
97.06489	3.7
97.10134	7.9
99.08060	5.4
105.07011	42.1
107.08580	79.2
108.08901	2.7
109.06482	5.0
109.10142	53.4
111.08041	3.8
111.11669	2.8
117.06982	7.2
118.88475	2.1
119.08563	60.3
121.06526	3.0
121.10123	73.7
123.08039	5.8
123.11695	29.0
125.09633	5.4
125.13337	2.1
127.07548	2.6
129.06998	5.1
131.08572	19.9
133.10106	50.2
133.11072	4.4
134.10411	2.0
135.07999	5.6
135.11676	42.5
137.09569	3.7
137.13251	15.9
143.08569	9.2
144.09315	2.2
145.10094	39.3
147.11661	38.6
148.12141	2.0
149.09567	3.1
149.13226	25.8
151.14810	3.5
155.08542	5.0
157.10114	21.3
158.10901	2.9
159.08025	3.2
159.11678	36.7
161.09550	4.1
161.12119	3.0
161.13251	26.8
163.11145	3.9
163.14818	27.2
165.12720	3.1
169.10045	2.5
171.11667	15.9
173.09671	2.9
173.13220	26.7
175.11185	3.6
175.14752	17.7
177.16356	24.5
179.14261	4.7
181.09981	2.2
183.11626	5.7
184.07263	3.9
185.13249	15.4
186.13913	2.2
187.14815	25.8
189.12762	3.9
189.16354	26.1
190.16788	2.1
191.14296	2.3
191.17931	11.9
197.13232	6.4
199.11273	2.6
199.14793	12.4
201.12677	4.4
201.16379	14.9
201.22742	2.4
203.14320	3.1
203.17946	18.4
205.15851	3.1
207.17390	5.9
209.13292	3.7
211.14784	5.9
213.16324	9.7
215.17932	18.2
217.15857	3.0
217.19473	9.0
219.13747	3.5
219.17455	5.4
221.18962	2.9
225.16292	4.0
227.17853	6.3
229.19469	16.0
233.18947	5.4
239.17769	3.0
241.19473	6.7
243.21060	30.6
247.20552	9.3
253.19582	2.7
255.20978	10.5
257.22598	7.4
259.20615	2.3
261.22107	16.4
267.21048	7.5
269.22562	14.2
271.20493	2.5
271.24011	3.3
273.22000	9.9
275.23642	6.8
281.22565	3.3
283.24146	6.0
285.22064	9.0
287.23666	15.0
295.24142	2.7
299.23438	2.2
301.25226	6.3
309.25674	2.9
313.25162	14.6
353.28406	3.9
381.31262	2.9
405.35327	10.7
423.36572	51.8
424.36511	3.6
441.31995	10.3
441.37970	100.0
442.37582	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	441.3719
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03953	2.6
55.05494	12.2
55.96881	2.0
57.03417	2.0
57.07069	6.4
58.23700	1.9
59.05006	2.1
62.29662	1.9
67.05492	16.9
69.07049	15.1
71.08619	8.5
79.05479	14.3
81.07048	44.3
83.08598	10.4
85.06524	10.1
85.10181	4.7
89.06022	9.8
91.05472	14.7
93.07025	34.9
95.08590	88.4
96.08924	3.4
97.06475	3.1
97.10169	6.0
98.21503	5.1
105.07011	31.3
107.08578	58.8
107.09282	3.4
109.06501	3.3
109.10138	49.6
110.90106	2.3
111.08062	3.9
113.09633	6.0
117.06997	5.0
119.08561	51.1
121.06511	7.8
121.10128	49.5
123.11687	17.4
125.09641	4.9
131.08554	9.8
133.08629	6.3
133.09160	2.9
133.10097	35.3
135.11671	47.2
137.09631	3.1
137.13255	5.5
143.08559	3.5
145.10095	23.5
147.11646	31.6
149.13220	27.2
151.14818	3.0
157.10132	3.3
159.11668	25.7
161.13235	29.6
163.11224	2.9
163.14790	27.0
165.09082	4.9
171.11639	3.5
173.13255	17.6
175.14807	27.6
177.12711	2.5
177.16336	14.0
179.14354	6.3
183.12019	2.7
185.13306	2.4
187.14775	15.9
189.16325	22.9
191.14325	7.0
191.17914	59.5
191.19534	3.6
193.15842	4.6
199.14867	3.3
201.16344	20.1
203.17903	19.0
205.15869	6.2
205.19412	12.1
207.17427	5.4
209.11729	2.5
213.16389	4.6
215.17941	25.3
215.19873	2.7
217.15898	2.7
217.19481	10.6
219.17448	8.6
221.19072	6.0
227.17972	4.7
229.19536	6.0
231.17497	5.1
231.21054	3.9
233.18977	28.7
241.19534	2.7
243.21161	4.1
245.19052	2.6
245.22609	3.8
247.20517	3.9
261.22049	3.5
271.24161	3.0
274.14633	2.6
275.23434	2.6
283.24170	2.8
291.23303	2.6
297.25723	3.0
311.27271	3.2
315.18069	5.8
315.26938	2.7
395.36911	4.7
405.35226	8.7
411.35950	2.2
423.36197	81.8
441.37393	100.0
442.37787	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3719
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05501	12.7
57.03429	2.0
57.07055	4.8
59.04998	1.5
63.22200	1.1
65.03919	1.5
67.05489	21.7
69.07053	17.8
69.40469	2.5
69.40870	12.2
70.47794	1.2
71.04988	3.0
71.08652	1.9
77.21605	1.2
79.05473	13.1
81.07037	60.9
83.04963	2.0
83.08611	9.5
85.06516	7.8
86.09666	1.6
91.05461	12.5
93.07027	36.8
95.04932	1.9
95.08587	100.0
96.08930	1.5
97.06506	3.4
97.10180	7.7
105.07007	35.2
107.08573	53.3
109.02846	2.2
109.06507	2.2
109.10135	58.7
110.10460	1.3
111.08070	5.4
111.11687	1.9
113.09596	2.7
117.07000	4.4
119.08560	44.7
120.08889	1.5
121.06503	2.8
121.10115	49.5
123.08070	3.3
123.11684	28.9
125.09624	4.5
127.11117	1.6
129.06981	2.5
130.10771	1.2
131.08521	15.4
133.10103	30.8
135.07994	2.1
135.11667	37.8
137.09636	2.5
137.13226	25.8
143.08521	5.0
145.10089	25.8
147.08040	1.3
147.11659	29.0
149.09608	2.0
149.13231	24.6
151.11115	3.1
151.14787	2.8
153.12735	1.6
155.08542	1.6
156.09283	1.8
157.10085	8.6
159.11644	25.0
161.09599	2.6
161.13228	29.3
163.11113	2.1
163.14783	22.6
165.12723	2.6
169.08661	1.5
169.10039	3.0
171.11673	5.6
173.13232	19.8
174.13600	1.4
175.14793	29.1
177.12717	2.9
177.16370	14.6
179.14227	3.1
179.17940	3.1
183.11653	2.4
185.13214	5.7
187.14795	15.5
189.12787	1.7
189.16364	24.1
191.14284	5.2
191.17915	37.8
192.18286	1.2
193.15874	4.1
197.13210	1.6
199.14786	5.0
201.12576	1.5
201.16336	17.2
203.14227	1.7
203.17964	18.8
205.15871	5.8
205.19464	7.2
207.17426	6.8
213.16364	5.0
215.14308	3.5
215.17929	22.4
217.15846	2.5
217.19391	10.8
219.17407	7.1
219.20944	1.7
221.18964	2.9
225.16376	2.1
227.17950	6.8
229.19508	6.1
231.17439	3.1
231.21014	4.1
233.18967	16.3
239.17929	1.5
241.19281	1.4
243.17447	4.4
243.21068	5.8
245.18964	4.2
247.20529	1.8
253.19446	1.5
255.21075	2.8
257.22485	2.7
259.20505	2.0
259.24048	2.0
267.20984	1.8
269.22650	1.7
271.24133	3.0
281.22491	1.5
301.25204	1.6
325.25336	2.3
329.28510	1.7
343.26160	1.6
395.28894	2.1
395.36850	10.6
397.34613	1.9
405.30801	2.9
405.35294	5.4
413.37936	2.5
423.36456	58.5
424.36404	5.6
441.32278	8.3
441.37964	61.8
442.32614	1.8
442.37537	5.2
456.52292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3721
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
51.37168	1.9
55.01845	2.1
55.05505	13.9
57.03408	1.7
57.07065	5.5
58.53601	1.9
59.04991	1.9
65.03929	1.7
67.05494	26.6
69.03401	2.4
69.07062	23.4
69.55127	16.7
71.04960	3.0
71.08613	3.2
72.81285	1.7
79.05476	13.9
81.04633	1.8
81.07045	56.3
81.51375	1.8
83.04963	5.1
83.08609	9.8
85.06537	3.9
91.05476	20.4
93.06458	3.3
93.07026	46.6
95.04942	3.1
95.08593	100.0
97.06503	5.1
97.10147	7.5
99.08050	2.7
102.09166	1.9
105.07013	48.0
107.08584	72.7
109.06506	3.7
109.10141	51.2
111.08068	5.6
117.06990	7.0
119.08564	71.1
120.08888	3.6
121.06491	3.2
121.09297	3.9
121.10119	49.9
123.08067	5.9
123.11697	18.9
125.09605	3.0
129.06973	3.3
130.07762	2.2
131.08545	22.9
133.10107	43.2
135.08029	3.7
135.11674	40.4
137.13210	6.1
139.11124	4.2
142.07635	2.1
143.08495	9.6
145.06497	2.3
145.10095	32.0
147.07968	4.7
147.11667	38.6
149.09599	3.5
149.13240	21.9
151.11162	5.3
151.14777	2.1
153.12651	2.8
155.08511	2.4
156.09351	2.5
157.10150	10.2
159.11681	37.9
161.09546	2.6
161.13240	28.7
163.11150	2.9
163.14815	25.6
165.12746	3.4
169.10016	3.0
171.11641	14.7
173.09561	2.5
173.13225	23.0
175.11261	3.4
175.14803	22.8
177.12715	3.6
177.16376	12.5
179.14299	10.0
181.10071	2.1
183.11703	3.5
184.07458	2.5
185.13211	8.7
186.13974	2.0
187.14799	23.4
189.12680	5.3
189.16328	28.1
191.14259	3.4
191.17915	23.0
193.15880	5.4
197.13206	3.3
199.14720	11.4
201.12747	2.3
201.16409	16.4
203.14259	3.9
203.17921	21.5
205.15866	13.7
205.19466	3.7
207.17442	20.6
209.13184	2.1
211.14815	4.3
213.16328	8.5
214.16934	2.3
215.14178	2.0
215.17908	24.7
217.15814	4.0
217.19519	8.0
219.13736	2.2
219.17424	4.6
221.18829	3.3
225.16367	3.6
227.17937	6.1
229.19504	14.6
231.20972	3.8
233.18965	23.2
241.19501	4.6
242.28969	2.2
243.21071	7.8
245.22791	2.3
247.20538	7.1
253.19678	2.5
255.21017	5.5
257.22668	3.5
259.20496	3.5
261.22076	4.1
269.19025	2.8
269.22586	2.8
271.20483	2.2
271.24182	2.8
273.22287	9.7
273.24808	2.2
283.24063	2.3
297.25653	3.9
315.26685	2.2
405.35681	11.1
411.36032	3.8
423.28152	3.1
423.36707	38.9
441.32541	50.5
441.37784	23.5
442.33829	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3356
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
55.05501	11.0
57.07057	3.8
67.05497	17.1
69.03392	1.6
69.07052	18.4
71.04975	2.9
71.62689	2.2
71.63076	2.8
74.67621	1.7
79.05473	14.4
79.14499	1.6
81.07042	40.7
83.04951	3.0
83.08601	7.4
86.09700	1.7
91.05446	20.2
93.07027	38.0
94.07360	2.1
95.04934	2.1
95.08595	63.3
97.10133	2.7
103.53479	2.1
105.07013	46.2
107.08575	60.6
109.06511	3.3
109.10144	28.1
111.08054	5.1
111.11693	2.3
117.06995	7.8
119.08565	81.6
121.06453	3.0
121.10124	36.1
123.08026	3.2
123.11716	10.0
126.15261	1.7
131.08542	23.1
133.10110	54.7
135.08046	3.0
135.11678	21.7
137.09596	2.5
137.13272	2.5
142.07718	2.1
143.08553	5.1
145.10092	37.1
147.08003	2.6
147.11658	34.8
148.12009	1.7
149.09578	2.2
149.13237	29.2
153.09158	2.3
155.08427	1.9
157.10155	9.2
158.10713	1.8
159.08063	2.3
159.11661	34.5
159.12848	3.3
160.12434	2.9
161.09586	3.0
161.13239	20.8
163.07486	2.8
163.11186	3.4
163.14792	40.0
165.09096	2.6
165.12733	4.0
169.10110	2.7
171.11664	8.6
173.09651	2.1
173.13234	24.6
175.11232	2.5
175.14803	47.1
176.15182	1.8
177.09108	4.6
177.12717	7.8
177.16338	10.0
179.14304	3.4
183.11688	3.1
185.13217	9.1
187.14792	29.1
189.16348	79.8
191.14296	2.2
191.17854	7.9
193.12170	2.9
193.15894	4.9
195.11690	2.6
197.13226	2.5
199.14774	4.7
201.12662	5.3
201.16342	45.3
203.14285	5.9
203.17938	14.5
205.15857	9.3
207.17528	8.3
210.53806	1.6
211.14680	2.8
213.16350	5.7
215.14339	2.3
215.17914	37.8
217.15833	5.0
217.19492	5.2
219.13820	9.5
219.17542	2.6
225.16447	2.2
227.17920	6.8
229.15836	5.7
229.19505	27.0
233.15454	3.4
235.16841	5.4
239.17731	2.5
241.19411	6.6
243.17435	3.0
247.16920	40.0
247.20653	4.0
249.18428	2.2
253.19382	4.2
257.18951	2.1
259.16904	2.3
261.18451	38.0
269.18958	1.8
273.18372	5.7
275.20081	8.9
276.30518	1.6
281.22653	4.7
287.20016	4.4
299.19958	4.1
299.23694	2.1
335.27063	2.0
370.66733	1.9
377.31921	14.1
395.33215	15.0
396.12219	2.1
397.12357	2.6
405.31485	8.2
408.30014	3.3
410.13953	2.2
411.14203	5.7
412.14828	3.5
413.16064	2.3
423.32495	67.8
424.32877	5.4
425.15909	7.1
426.11966	1.9
426.16718	18.1
439.17056	2.1
441.13806	14.7
441.19131	57.6
441.33548	100.0
442.19449	15.2
442.33685	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	441.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98856	1.6
53.03942	2.9
55.01847	2.2
55.05504	17.5
57.07053	2.4
63.54042	1.9
67.05496	32.1
69.03405	5.3
69.06776	2.0
69.07065	23.3
71.04977	2.8
73.66082	1.8
79.05054	2.2
79.05487	30.6
81.07044	54.4
82.07338	2.2
83.04955	4.4
83.08607	7.2
85.06516	3.8
86.09731	2.2
91.05482	19.8
93.07031	54.7
95.04948	7.4
95.08594	93.6
97.06515	7.4
97.10154	5.4
99.08090	3.6
105.07015	61.1
106.07377	2.4
107.07849	4.5
107.08577	81.8
108.08909	2.9
109.06481	9.2
109.09446	3.9
109.10145	56.8
111.08081	7.8
113.09624	3.5
115.07555	3.0
117.07009	8.3
119.08566	74.8
121.06483	15.4
121.10120	71.5
123.08062	8.7
123.11683	15.4
125.06036	2.5
125.09576	6.1
128.06248	2.7
129.06984	6.9
131.08560	25.9
133.06453	3.4
133.10120	48.5
135.08032	15.4
135.11667	32.6
137.05978	8.2
137.09605	7.8
137.13271	4.5
142.07773	3.1
143.08543	13.8
144.09297	3.2
145.06523	1.9
145.10106	42.4
147.08018	8.0
147.11670	34.0
149.09578	6.2
149.13234	35.8
151.07463	2.6
151.11185	4.4
155.08539	6.1
156.09273	3.3
157.10101	17.2
158.10820	2.3
159.08003	3.1
159.11664	29.4
161.09590	16.8
161.13231	41.9
163.07574	2.1
163.11162	9.4
163.14795	30.2
165.09099	6.1
165.12755	4.8
169.10112	6.9
170.10934	2.7
171.11670	13.2
171.99060	2.1
173.09589	7.3
173.13254	24.1
174.13519	2.5
175.11188	13.7
175.14803	40.8
176.15210	2.6
177.09096	3.7
177.12718	6.1
177.16348	26.9
179.14317	3.1
181.10127	2.3
182.10869	2.8
183.11691	6.8
184.07303	4.7
185.09694	3.0
185.13258	13.7
187.11185	8.4
187.14787	34.7
189.12790	13.2
189.16348	38.4
189.17883	3.4
191.14360	11.8
191.17926	42.5
197.13257	9.1
199.14764	9.2
201.12790	5.7
201.16388	14.3
203.14326	23.1
203.17934	43.1
203.19687	3.2
204.18166	2.1
205.12178	9.4
205.15875	7.5
207.13820	3.4
207.17445	2.5
209.13268	3.1
209.15260	2.5
211.14833	6.4
213.12714	3.0
213.16376	9.9
215.14388	10.1
215.17856	15.5
217.15910	4.2
217.19443	2.8
219.13748	5.5
219.17389	3.0
221.15401	4.8
225.16377	3.1
227.14400	3.4
227.17912	3.6
229.15868	5.9
229.19510	5.7
231.17526	3.6
231.21025	7.8
233.15349	9.8
233.19066	2.5
239.17929	5.3
241.19492	6.1
243.17415	4.4
243.21057	4.5
247.16872	2.4
251.16443	6.9
255.21243	3.6
259.17026	2.5
269.19217	2.8
271.20355	2.6
281.22571	3.4
283.24310	3.1
295.98434	2.3
297.22040	2.6
309.22171	5.4
315.23224	3.1
327.23376	10.1
345.24350	6.6
365.28644	2.7
377.32129	2.4
383.29419	2.8
387.30511	3.2
394.10587	2.2
395.33209	3.4
405.31351	13.2
407.79810	1.9
411.32712	5.0
423.32242	31.4
425.22842	2.0
441.33627	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3358
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
53.03932	1.1
55.01842	1.2
55.05500	5.1
56.74902	1.0
57.03430	1.8
57.07065	1.6
67.05495	7.8
69.03403	1.2
69.07056	8.2
71.04964	1.4
71.08596	1.4
79.05473	6.9
81.06581	1.2
81.07045	20.8
82.50307	0.9
83.04940	1.8
83.08597	4.2
85.06528	1.8
89.06027	2.2
91.05467	7.1
93.07036	16.2
94.07356	1.4
95.04957	2.5
95.08049	1.4
95.08595	22.8
97.06528	2.7
97.10106	2.1
98.20747	1.9
99.08045	1.8
100.15771	1.0
105.06359	1.7
105.07012	18.0
107.04910	1.9
107.07856	1.5
107.08578	23.7
108.04795	1.0
109.06503	2.8
109.10147	14.1
111.08068	2.0
117.06941	1.5
119.08561	29.0
121.06467	3.3
121.10116	14.3
123.08039	3.1
123.11671	6.4
124.99956	1.6
125.05985	8.7
125.09616	3.0
129.06993	1.7
131.08553	8.3
133.10107	21.7
134.10417	1.7
135.08063	2.3
135.11664	23.0
137.09601	2.0
137.13239	2.0
141.07013	1.0
142.07729	1.3
143.08524	2.7
145.06459	1.2
145.10100	10.2
147.08011	4.0
147.11662	13.5
149.09550	1.9
149.13216	9.3
151.11156	3.1
153.09094	1.6
155.08548	1.9
157.10071	5.5
159.08032	3.6
159.11635	10.8
161.09590	10.2
161.13232	9.0
163.11192	2.1
163.14848	6.0
165.09076	2.8
165.12746	1.1
169.10011	1.8
171.11620	5.0
173.09576	4.9
173.13255	12.2
175.14818	6.7
177.09058	2.8
177.12750	2.4
177.16316	3.0
179.14284	2.8
183.11662	2.0
185.13228	2.8
187.11165	1.3
187.14807	5.5
189.12769	1.1
189.16362	30.4
191.14255	7.3
191.17958	6.2
197.13193	3.9
199.14790	2.5
201.12712	14.9
201.16327	3.6
203.14223	2.1
203.17899	4.0
205.15846	1.4
205.19427	2.2
207.17406	61.6
209.15323	2.3
213.16316	2.6
215.12202	2.4
215.14285	45.4
215.17749	2.7
217.15880	6.7
217.19374	2.4
219.13768	24.5
219.17297	2.4
229.15817	1.5
229.19511	2.2
231.20926	1.1
233.13245	0.7
233.15327	19.7
233.18954	2.2
241.53003	1.1
243.17322	1.4
257.18835	1.1
269.19064	2.1
283.20313	1.3
299.23273	1.1
314.18253	1.0
333.15018	2.1
334.15509	1.7
395.32880	2.0
405.31366	4.4
423.31946	19.9
423.37061	2.4
424.32663	2.4
441.33432	100.0
442.33704	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2993
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
53.03921	1.2
55.05499	8.1
57.07032	3.5
59.04972	1.7
65.03919	1.5
67.05493	14.1
69.03379	2.3
69.07056	13.2
69.60983	7.3
69.61398	2.0
71.04934	2.6
71.08596	2.0
79.05481	9.4
81.07042	25.6
82.07375	1.4
83.04918	3.3
83.08607	8.4
85.02841	1.2
85.06504	2.3
86.48087	1.0
87.27974	1.0
89.05980	1.2
91.05463	13.1
93.07021	24.8
95.04893	3.6
95.08591	41.6
97.06467	4.7
97.10095	3.1
98.20784	2.2
99.08042	1.1
103.05396	1.3
105.07009	26.6
107.08575	34.9
108.08856	1.7
109.06498	6.8
109.10138	23.2
111.07987	3.7
111.11662	1.3
113.09499	1.3
117.06910	4.7
117.07645	1.1
119.08561	57.8
120.08836	1.6
121.06387	3.1
121.10123	28.4
122.10409	1.5
123.08044	5.6
123.11683	12.1
125.09540	2.8
127.11085	3.3
128.06042	1.3
129.06889	3.8
131.08546	13.0
133.10103	32.1
134.10358	1.8
135.08012	5.8
135.11671	20.0
136.11900	1.8
137.09508	4.1
137.13155	3.5
139.07402	2.0
141.06941	1.7
142.07715	1.7
143.08536	9.8
143.63458	1.1
144.09235	2.0
145.10100	27.5
147.07918	4.0
147.11656	23.7
149.09483	3.9
149.13231	10.9
151.11040	3.2
155.08463	2.4
156.09204	2.0
157.10103	12.2
158.10757	2.2
159.07985	1.5
159.11656	19.5
160.12115	1.1
161.09543	6.4
161.13220	19.0
162.13365	1.3
163.11063	3.0
163.14809	7.2
165.08958	1.7
165.12634	2.3
168.54163	1.2
169.09958	4.6
170.10709	1.3
171.11681	11.0
172.12340	1.2
173.09500	2.4
173.13257	14.0
175.11009	4.5
175.13506	1.5
175.14786	16.2
177.12735	5.3
177.16385	6.6
179.10555	1.4
179.14198	2.3
183.11520	4.3
184.07224	1.5
185.13200	9.3
187.11076	2.2
187.14793	26.7
188.14995	1.3
189.12749	10.5
189.16351	18.1
191.14078	3.7
191.17874	5.5
195.11559	2.0
197.13033	3.1
199.14749	5.8
201.12746	5.7
201.14574	1.5
201.16331	18.8
203.14285	6.1
203.17891	10.1
205.15860	5.3
207.17291	2.4
209.13121	1.8
211.14696	1.8
213.16396	6.8
215.14215	1.4
215.17979	8.2
217.15681	1.6
217.19281	4.6
221.15297	1.3
223.14627	1.6
225.16190	2.7
227.17720	3.8
229.15805	1.7
229.19215	3.8
231.17317	2.6
232.17570	1.3
233.15184	2.3
235.16783	1.7
239.17706	2.9
241.19229	4.9
243.20949	1.6
247.16701	2.6
250.06532	1.2
253.19199	4.2
255.17061	1.3
255.20793	2.7
265.19119	1.6
267.20908	1.8
269.18872	1.4
271.20255	1.4
273.25406	1.5
279.20810	2.1
281.18912	2.0
281.22290	1.9
287.19882	2.0
287.23416	1.2
297.21780	1.3
299.19849	1.5
299.23383	1.7
359.27237	5.4
377.28293	17.3
395.29053	5.1
405.31067	3.0
413.33737	1.5
423.27728	9.8
423.35956	6.5
441.29388	100.0
442.29968	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	4.8
55.05498	26.2
57.03429	4.7
57.07039	5.4
60.34987	3.9
67.05496	47.4
69.03406	8.3
69.07063	34.4
69.59046	32.9
71.04989	11.1
79.05473	41.3
81.07048	97.1
83.04948	11.8
83.08593	12.4
85.06538	6.1
91.05459	43.0
93.07024	80.4
95.04951	14.0
95.08036	7.4
95.08595	100.0
95.65659	4.3
97.06492	15.7
97.10158	8.0
98.21468	9.2
99.04436	5.3
105.07014	91.3
106.07324	5.2
107.04900	4.9
107.08582	89.5
109.06488	13.8
109.10135	71.4
111.08051	12.3
113.10920	4.2
115.02531	4.0
117.06991	19.0
119.08553	94.7
121.06480	15.4
121.10126	68.4
123.08036	16.0
123.11652	19.5
125.09618	6.4
127.20343	4.0
128.06157	5.0
129.06996	23.0
130.07768	6.5
131.08549	57.5
132.08879	5.3
133.06450	7.0
133.10103	64.9
135.08020	12.5
135.11658	36.1
137.09573	17.7
137.13269	8.9
139.07515	6.8
139.11119	6.3
141.07013	9.6
142.07759	12.3
143.08546	40.6
145.06447	18.2
145.09019	6.4
145.10094	79.8
147.08029	12.2
147.11679	44.1
148.11998	5.7
149.09602	10.0
149.13240	30.1
151.11140	4.8
154.07745	6.2
155.08565	30.9
156.09355	8.9
157.10118	57.4
158.10857	7.8
159.08032	9.5
159.11661	59.5
160.12427	6.5
161.09613	22.8
161.13226	39.9
163.07460	4.6
163.11244	8.0
163.14799	29.0
165.09081	17.5
165.12766	6.5
167.08549	7.9
168.09392	5.5
169.10100	42.5
171.08009	8.5
171.11670	40.7
172.12440	5.3
173.09624	12.0
173.13206	44.1
175.11133	12.7
175.14777	19.8
177.16350	15.4
181.10095	18.8
182.10892	7.7
183.11646	30.7
184.07280	7.4
185.09563	11.3
185.13243	32.8
187.11098	12.3
187.14766	48.7
189.12695	17.7
189.16356	19.1
191.10612	6.0
191.14255	12.1
191.17949	5.0
195.11592	20.4
197.13295	30.4
199.11159	9.9
199.14810	25.6
201.12692	16.4
201.16370	24.2
203.14293	18.3
203.17966	10.2
204.14552	4.7
205.12231	12.2
205.15839	8.2
207.11720	5.7
207.13695	4.8
209.13237	16.5
211.14760	14.6
213.12854	5.6
213.16338	17.4
215.14256	9.2
215.17931	10.8
217.15891	6.6
219.13792	5.2
221.13492	8.1
223.14774	16.4
225.12671	7.5
225.16348	18.3
227.14322	10.7
227.17961	9.5
229.15845	10.2
231.13731	9.4
233.15292	5.4
235.14792	6.1
237.16325	14.5
237.59332	4.3
239.14148	8.2
239.17862	7.7
241.19308	4.2
243.13855	6.0
243.21054	5.8
247.16913	5.2
248.17177	5.1
249.16348	4.7
253.15778	5.4
253.19412	7.0
255.13835	7.1
255.17313	7.7
255.21065	5.0
257.15341	9.0
265.19531	6.2
267.17551	5.9
271.37161	4.2
273.14587	6.5
277.19482	9.0
279.20932	27.3
281.22580	10.1
283.16937	7.3
287.16467	7.3
295.20419	10.3
297.22061	8.9
299.23935	4.5
309.18356	5.6
323.20078	10.4
324.20786	12.5
325.21616	7.7
327.19507	4.9
333.25677	6.6
341.21213	19.9
342.21744	27.2
343.22525	8.2
349.21475	9.7
349.25204	6.7
359.23566	12.6
367.22476	15.3
377.24655	41.7
377.31711	5.4
379.26160	17.8
387.23233	6.0
387.30368	6.5
388.06677	4.7
393.31290	5.0
395.25674	39.3
395.32236	13.2
405.24203	29.8
405.31482	23.2
423.24808	43.3
423.32922	34.6
437.75443	4.2
441.26370	88.7
441.33362	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01869	1.1
55.05494	0.6
57.03426	13.2
57.07055	0.6
59.04989	0.9
60.04516	0.3
61.02916	5.1
65.41100	0.2
67.05489	1.0
69.03416	21.9
69.07044	1.1
70.12138	0.9
70.12537	0.4
71.01339	1.6
71.04987	1.8
71.08613	0.8
73.02904	21.2
75.04476	0.5
79.05475	0.7
81.03402	3.3
81.07039	1.7
81.78474	0.3
83.01309	0.3
83.04960	0.7
83.08608	0.3
85.02889	54.0
85.06503	0.4
85.54354	0.3
87.03910	0.5
87.04452	8.2
89.05109	0.3
91.03932	2.0
91.05466	1.5
93.07032	1.3
95.04958	0.7
95.08593	1.2
96.04477	0.4
97.02874	27.5
97.06518	1.1
98.97578	1.0
99.04455	2.6
101.02387	0.4
103.03929	0.7
105.03369	0.6
105.07027	1.4
107.08587	1.3
109.02865	5.0
109.06499	0.5
109.10146	1.2
111.04421	0.6
111.08078	0.4
111.11697	0.5
115.03910	22.1
116.98601	0.4
117.07008	0.3
119.04923	1.1
119.08580	1.0
121.06519	0.3
121.10131	1.1
123.04411	0.8
123.08017	0.4
123.11671	0.4
127.03894	14.7
131.04898	0.7
131.08580	0.5
132.06586	0.5
133.04942	14.1
133.10120	1.0
135.04427	0.3
135.11655	0.7
137.05939	0.3
137.09555	0.4
139.03867	0.6
142.07658	0.3
143.08548	0.5
145.04933	26.7
145.10080	1.3
147.04398	4.8
147.11647	0.7
149.09595	0.5
149.13249	0.5
150.07578	2.5
151.03879	0.4
158.99634	0.5
159.08075	0.3
159.11670	0.4
162.91032	0.3
163.03906	0.7
163.05984	10.8
163.07361	0.5
165.05476	0.3
165.09100	0.8
169.10164	0.3
171.11647	0.5
175.11156	0.5
177.00620	0.4
177.05444	0.4
177.16501	0.3
189.09006	0.3
193.04942	0.7
199.14758	0.5
201.09125	0.5
203.05217	3.3
207.55695	0.3
220.10344	1.4
223.05986	1.2
229.10884	0.8
241.06995	1.6
243.17294	0.3
259.07758	1.5
261.18192	2.1
279.16171	0.3
279.19308	1.0
293.19507	2.6
295.10144	1.8
296.48822	0.3
301.07108	0.3
307.07846	0.8
320.93384	0.3
348.09210	0.3
367.22760	0.3
441.24524	100.0
442.24866	4.6
452.05298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.7
55.05501	2.1
57.03417	3.1
59.04975	1.3
61.02899	1.3
65.03922	1.5
67.05472	1.8
69.03419	8.8
69.07054	15.7
70.06560	4.8
71.61330	1.3
71.61707	1.8
73.02896	3.9
74.06076	2.2
81.03384	5.0
81.07041	2.4
83.04957	1.9
85.02888	13.6
85.06521	2.1
87.04497	1.7
91.05462	8.3
93.07015	2.3
94.06523	1.7
95.04933	2.3
95.08609	2.3
96.04496	2.7
97.02873	8.9
98.97554	3.2
99.04459	1.8
99.08058	1.5
101.05979	1.6
105.07014	1.9
107.04912	1.9
107.08569	3.3
109.02852	3.9
109.06483	1.7
109.10117	2.0
111.08049	3.6
111.11672	5.0
112.07567	5.0
113.07920	2.1
115.03898	3.4
116.98559	1.9
119.04923	20.9
119.08539	1.6
121.02821	4.6
122.03168	2.5
122.05988	4.4
123.04407	12.7
127.03860	5.8
129.05464	1.8
129.12729	7.7
129.66273	1.3
133.04922	2.4
135.04367	2.3
139.03873	2.6
139.11183	2.3
140.07040	11.7
141.07339	3.8
145.04913	2.5
147.04384	91.6
148.04771	1.7
158.08104	10.6
159.08383	7.5
163.03859	9.0
165.05418	1.8
189.16359	1.4
199.13225	2.2
212.75981	1.2
225.04094	1.3
237.02718	4.0
244.16295	1.7
270.07556	1.8
271.07907	3.8
273.07526	1.6
273.17020	1.3
279.13290	2.2
288.26544	1.3
289.06866	3.3
291.17996	4.4
309.06281	2.6
309.09656	1.5
327.07379	5.7
423.12512	6.2
441.11456	100.0
442.11658	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
57.03435	0.7
57.07056	0.7
58.03723	0.4
62.01404	0.4
62.95547	0.4
67.05499	0.9
68.05880	0.4
69.03417	1.8
69.07053	2.3
69.44188	0.7
69.44592	3.2
70.06575	0.9
71.04980	0.8
73.02901	1.7
79.05478	1.1
81.03417	0.5
81.07034	2.1
85.02887	2.1
85.06514	0.6
86.03233	0.4
87.08602	0.4
91.05478	0.9
93.07034	2.2
95.04942	0.7
95.08602	1.2
96.04474	1.1
97.02880	1.6
97.06522	0.5
99.04416	0.8
105.07021	1.4
107.08562	1.8
109.02854	0.6
109.06497	0.6
109.10146	1.1
111.08123	0.4
111.11704	0.7
112.12022	0.5
115.03938	0.9
117.07000	0.5
119.04903	0.4
119.08585	1.3
121.02861	0.9
121.10130	1.3
123.08033	0.4
125.09610	0.4
127.03906	0.9
129.12747	1.1
130.13034	0.8
131.04907	0.8
133.04924	0.6
133.10123	0.7
134.05315	0.5
135.11687	1.0
137.09570	0.6
145.02843	0.6
145.04994	0.5
145.10101	1.2
147.04428	2.4
147.11581	0.4
149.09538	0.6
151.11143	0.4
153.12744	0.6
165.09071	0.9
175.11121	0.8
175.14702	0.7
177.05466	1.1
185.04167	0.6
193.11980	2.5
201.03670	1.0
203.05301	2.5
235.13002	0.6
245.06367	3.7
259.09830	0.5
261.18304	0.6
263.19836	1.8
279.36688	0.5
289.05267	2.9
337.16052	0.5
355.13126	0.8
355.17209	10.6
361.90100	0.4
379.17191	0.7
397.18298	26.2
398.18594	1.3
441.17230	100.0
441.24362	22.2
442.17603	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	440.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01854	6.9
55.05507	7.4
57.03431	15.7
57.07062	2.3
60.87374	1.4
61.02919	16.6
67.05502	2.2
69.03415	26.7
69.07056	65.0
70.95461	4.1
71.01343	4.6
71.04966	2.5
73.02908	87.9
75.15194	1.2
79.65967	1.3
81.03396	5.5
81.07017	4.3
83.04977	1.9
83.08601	4.3
85.02891	66.9
85.10134	1.5
87.04448	4.2
91.03931	2.0
93.07024	2.7
95.04966	2.3
95.08593	2.0
96.04472	18.2
97.02878	57.0
99.04443	4.2
103.03911	2.9
107.08612	2.1
109.02872	5.6
109.06487	2.4
109.10166	8.2
111.08089	2.2
111.11700	37.1
111.24207	1.6
113.09582	1.8
115.03148	2.4
115.03916	32.2
119.08555	2.4
121.10124	2.8
127.03893	20.8
127.11188	2.2
129.12733	77.9
133.04938	37.5
137.09605	6.8
139.11192	2.8
141.12685	5.9
141.91479	1.6
145.04939	35.3
150.07564	4.7
153.12665	2.8
159.17143	1.6
163.05992	20.6
165.09093	4.8
165.12527	1.5
165.43010	1.6
166.09494	2.3
169.04932	1.7
183.13766	1.5
186.28946	1.6
193.04929	1.5
193.12030	1.6
201.03685	3.7
203.05258	2.4
207.13818	1.5
217.07011	2.1
223.05957	5.5
225.14832	3.5
237.14882	3.3
241.06982	8.4
245.06274	2.9
255.15776	2.0
255.64284	1.4
259.08087	11.8
261.16714	1.8
263.19778	4.0
273.16901	2.7
277.09134	2.7
289.05209	1.7
291.18005	7.4
295.10135	4.0
311.13858	2.5
314.43152	1.6
355.17249	6.4
371.44150	1.5
388.45059	1.7
397.18314	18.9
440.23767	2.5
441.17188	100.0
441.24396	45.6
452.37881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01857	9.4
55.05480	1.6
57.03415	2.6
57.07062	6.1
59.04984	2.3
67.05493	5.9
69.03418	10.5
69.07049	7.9
69.81751	2.7
69.82156	6.1
70.02935	5.9
70.06583	3.3
71.04985	2.7
72.04510	22.4
73.02897	13.8
81.03403	18.5
81.07047	3.1
83.04960	6.1
85.02873	12.3
85.06532	8.8
86.09682	5.9
87.04436	2.3
87.08092	2.3
90.05540	42.7
94.06522	1.6
95.04936	10.3
96.08096	2.4
97.02879	14.7
97.06547	1.8
98.02399	17.5
99.04442	6.6
100.03970	6.8
103.03908	2.4
103.07558	3.8
107.04976	1.6
107.08596	1.7
109.02851	27.5
111.04419	1.7
111.08077	1.8
113.06001	5.4
116.03430	23.6
121.02827	5.3
121.06480	1.6
123.04392	2.8
124.07564	20.8
127.03889	21.0
128.00754	2.2
131.06981	1.9
132.06537	7.0
136.06189	3.9
138.05531	2.6
139.03860	1.9
140.07085	2.2
140.62491	1.3
142.08598	17.7
145.04959	9.2
146.01791	3.1
147.04396	3.1
150.05457	3.9
156.10179	3.6
158.04367	1.7
160.09702	7.8
166.08618	5.0
172.09683	4.7
174.11215	5.9
184.09645	36.4
187.06061	1.6
198.07640	3.9
199.06012	7.0
202.10709	100.0
203.11156	2.3
211.09619	10.6
216.08670	4.9
217.07002	5.2
220.11749	26.7
230.10248	11.0
234.09644	9.8
244.11732	4.1
262.12848	25.1
272.07227	1.5
275.11221	2.0
299.96109	1.7
308.07077	2.1
310.12427	9.8
328.13831	81.1
329.14151	2.2
346.14923	20.9
364.15961	47.7
422.20203	1.5
441.13263	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	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01863	2.3
55.05506	8.7
57.03430	27.1
57.07064	5.4
60.56118	1.4
61.02918	7.9
67.05502	5.6
69.03425	33.2
69.07062	81.2
69.41747	1.2
69.42028	13.2
70.06583	4.2
71.01334	2.5
71.04981	3.4
73.02909	49.5
76.20118	1.4
79.05477	2.8
81.03412	6.7
81.07040	6.3
83.04984	2.2
83.08598	8.5
85.02895	47.5
85.06539	2.3
86.09728	1.5
87.04468	12.6
91.05474	3.5
93.07059	2.9
95.04959	2.3
95.08597	5.1
97.02880	51.5
97.06496	3.5
99.04456	2.8
103.03926	2.0
103.05450	1.2
105.03392	3.4
105.07043	3.0
107.08606	4.3
109.02876	5.7
109.06523	1.2
109.10137	12.4
111.04430	2.4
111.11705	45.1
112.07582	3.5
113.09628	2.7
115.03918	44.6
119.04951	4.0
119.08580	3.2
121.02872	4.1
121.10175	3.3
123.04441	1.7
123.08139	1.7
127.03897	15.1
127.11180	6.8
129.12740	100.0
130.13066	1.5
131.04895	1.8
131.08488	1.4
133.04947	27.9
133.06500	2.1
133.10130	2.3
135.11656	1.5
135.36751	1.3
137.05966	2.7
137.09599	1.9
139.03908	5.2
140.07092	2.7
141.12704	3.5
145.04942	13.4
145.10117	2.2
147.04404	12.8
150.07605	6.2
151.03882	1.7
153.12778	1.5
161.09564	1.3
163.06021	5.7
165.09148	1.7
175.22026	1.3
176.41560	1.4
177.05472	3.3
184.07326	6.6
193.05135	1.5
223.05942	2.3
237.14841	2.7
241.07098	4.5
243.15878	2.6
245.69165	1.4
247.10106	3.3
255.15753	1.9
259.07990	3.4
261.14862	1.7
273.16891	2.8
289.16504	4.3
291.17941	3.4
295.10022	1.8
440.23495	4.5
440.29474	1.3
441.24719	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	440.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91102	1.9
53.41612	1.9
55.01853	9.5
55.05487	7.6
57.03178	3.1
57.03428	33.6
59.04983	3.4
61.02919	21.8
67.05504	3.6
69.03415	37.7
69.07049	5.0
70.03714	2.4
70.06570	6.7
70.50473	8.7
71.01335	5.4
71.04959	2.4
73.02905	100.0
73.30337	2.1
79.05464	2.7
81.03398	11.7
81.07030	5.9
83.08588	9.4
84.04481	2.7
85.02891	85.6
85.06556	2.8
87.04436	7.2
91.05442	4.8
93.07008	6.7
95.04935	3.3
95.08569	5.5
96.12875	2.0
97.02878	75.8
98.06087	2.5
99.04430	8.6
103.03923	5.3
105.07001	9.7
107.04892	2.9
107.08550	4.7
109.02865	8.8
109.10104	5.1
111.08064	68.2
112.07597	5.5
115.03912	55.6
117.03367	3.0
119.02868	2.5
119.04916	2.6
119.08580	3.4
121.10098	5.8
123.04416	4.0
123.11642	2.9
126.31658	2.2
127.03895	31.9
128.04280	3.1
129.09093	67.4
131.08633	2.6
133.04955	38.9
133.10054	2.5
137.09607	2.6
139.03835	4.7
140.07011	3.7
144.06494	6.6
145.02861	6.1
145.04938	35.3
147.04414	10.3
147.08000	3.4
150.07616	2.9
151.03879	3.8
155.03421	3.0
161.09663	3.4
162.07579	5.0
162.09940	2.5
163.03871	2.9
163.05965	14.5
177.05437	13.1
180.08643	5.1
190.12325	2.1
197.02646	6.1
199.06107	2.5
217.07033	3.3
223.05922	5.7
225.11203	5.3
225.14955	2.8
227.12793	2.9
241.07018	8.3
243.12280	25.9
250.11513	3.3
251.11893	2.5
259.08057	9.5
273.13281	6.5
279.08646	2.3
294.11795	3.5
295.10220	4.0
304.99396	2.0
441.17255	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	440.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
55.01857	9.4
55.05480	1.6
57.03415	2.6
57.07062	6.1
59.04984	2.3
67.05493	5.9
69.03418	10.5
69.07049	7.9
69.81751	2.7
69.82156	6.1
70.02935	5.9
70.06583	3.3
71.04985	2.7
72.04510	22.4
73.02897	13.8
81.03403	18.5
81.07047	3.1
83.04960	6.1
85.02873	12.3
85.06532	8.8
86.09682	5.9
87.04436	2.3
87.08092	2.3
90.05540	42.7
94.06522	1.6
95.04936	10.3
96.08096	2.4
97.02879	14.7
97.06547	1.8
98.02399	17.5
99.04442	6.6
100.03970	6.8
103.03908	2.4
103.07558	3.8
107.04976	1.6
107.08596	1.7
109.02851	27.5
111.04419	1.7
111.08077	1.8
113.06001	5.4
116.03430	23.6
121.02827	5.3
121.06480	1.6
123.04392	2.8
124.07564	20.8
127.03889	21.0
128.00754	2.2
131.06981	1.9
132.06537	7.0
136.06189	3.9
138.05531	2.6
139.03860	1.9
140.07085	2.2
140.62491	1.3
142.08598	17.7
145.04959	9.2
146.01791	3.1
147.04396	3.1
150.05457	3.9
156.10179	3.6
158.04367	1.7
160.09702	7.8
166.08618	5.0
172.09683	4.7
174.11215	5.9
184.09645	36.4
187.06061	1.6
198.07640	3.9
199.06012	7.0
202.10709	100.0
203.11156	2.3
211.09619	10.6
216.08670	4.9
217.07002	5.2
220.11749	26.7
230.10248	11.0
234.09644	9.8
244.11732	4.1
262.12848	25.1
272.07227	1.5
275.11221	2.0
299.96109	1.7
308.07077	2.1
310.12427	9.8
328.13831	81.1
329.14151	2.2
346.14923	20.9
364.15961	47.7
422.20203	1.5
441.13263	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	440.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60396	2.4
54.20788	2.4
55.01852	11.8
55.05488	7.0
57.03178	2.9
57.03427	36.0
59.04983	2.7
61.02917	19.7
67.05486	3.9
69.03070	3.2
69.03416	48.4
69.07056	6.2
69.65627	3.9
69.66039	11.2
70.06573	9.6
71.01338	5.5
71.04980	3.2
72.78218	2.1
73.02905	100.0
79.05459	2.2
81.03402	10.2
81.07039	4.4
83.08599	8.5
85.02888	92.5
85.06532	2.8
87.04455	8.3
87.08070	2.4
91.03925	4.6
91.05468	6.5
93.07050	5.7
95.08569	6.4
97.02874	80.5
98.05997	2.3
99.04436	8.3
103.03931	4.3
105.07008	9.8
107.08560	5.5
109.02856	12.6
111.08057	71.2
112.07561	6.1
113.23585	2.0
114.05453	3.5
115.03915	66.7
115.04729	3.3
116.07117	2.3
121.02859	3.3
121.10133	4.5
123.04406	4.0
123.11686	5.0
127.03903	38.4
129.09094	66.3
133.04947	44.4
133.06461	4.6
133.10117	4.6
139.03870	8.9
140.07039	3.7
144.06526	5.3
145.02879	4.1
145.04933	44.8
147.04385	12.0
150.07610	4.5
151.03934	3.9
156.10234	2.2
158.08145	2.3
161.09639	4.4
162.07591	5.1
162.09869	3.5
163.06007	15.6
175.63840	2.4
177.05414	11.1
180.08661	8.4
189.09050	2.7
197.02745	4.6
223.05952	9.1
225.11208	9.3
227.12711	3.0
241.07042	13.9
243.12234	28.1
243.15913	3.2
249.11191	2.4
259.07950	10.4
262.25378	2.3
267.15909	3.1
273.13324	6.1
294.11740	4.5
295.10324	4.9
310.78027	2.4
323.47711	2.1
338.41458	2.5
400.32663	2.6
440.16293	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	440.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
54.34510	0.7
55.01880	0.9
55.05497	1.4
59.04960	0.8
65.03948	1.5
67.05482	3.9
68.99777	0.9
69.03421	3.4
69.07050	2.0
70.06579	8.5
71.04985	1.4
71.62820	1.1
73.02900	0.9
76.91155	0.7
79.05501	1.7
81.03409	4.0
81.07048	1.7
82.32796	0.8
83.08592	1.0
84.08142	3.4
85.02887	3.5
85.06544	1.0
91.05476	2.0
94.06560	20.6
95.04974	4.5
96.04476	20.9
97.02880	4.4
98.06086	0.9
107.08564	2.0
108.04454	1.5
109.02871	2.1
109.06526	1.3
109.10119	1.1
110.06043	0.9
111.08057	2.0
112.07589	29.2
112.08343	1.7
119.04929	4.0
119.08588	1.0
121.02856	32.9
121.10132	0.9
122.06009	28.9
122.06889	1.8
123.04417	16.9
127.03915	2.5
127.07553	1.6
135.11739	1.0
137.05988	1.5
139.03912	4.6
139.07503	0.8
139.11189	2.5
140.07047	82.8
141.07384	1.3
145.04990	1.0
145.06458	1.0
147.04398	12.6
153.09039	1.0
158.08109	100.0
159.08424	2.0
160.07570	1.3
161.05981	1.3
163.03880	2.6
172.07585	2.9
173.05986	2.4
174.05460	1.2
175.03926	4.0
181.12193	1.9
185.05965	1.2
189.05377	1.9
193.04916	0.9
196.07552	1.1
199.03929	1.0
199.13258	9.4
200.07036	2.6
201.05461	14.8
201.07204	1.5
213.05421	8.5
214.08661	2.0
216.06601	2.4
217.04996	1.1
223.13359	1.0
224.07211	1.3
224.13608	1.0
225.05457	1.9
225.14748	1.5
227.07170	2.0
228.06500	5.3
236.06342	1.7
241.04980	2.5
242.05795	1.6
242.08066	9.9
243.15884	1.8
244.09676	4.4
252.06590	1.1
254.08244	1.5
258.07629	2.3
259.06042	1.1
265.07129	3.0
270.07587	53.5
271.08109	3.5
272.09152	12.6
282.07526	2.2
283.08145	2.0
284.11328	1.0
288.08765	2.3
300.08627	1.6
311.80435	0.9
317.08261	2.0
318.08838	3.0
333.28268	0.9
360.91226	0.9
380.11066	1.9
394.12720	2.8
422.12314	35.7
423.12500	2.8
440.13220	56.4
441.12299	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	439.3567
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.89003	1.0
53.03936	2.2
55.05507	13.7
57.03423	1.6
57.07079	3.3
58.80873	1.2
59.85363	1.2
65.03940	1.5
67.05493	22.4
69.07062	22.1
71.04978	2.5
74.19316	1.1
79.05486	12.8
81.03401	2.1
81.07047	34.7
83.04988	2.6
83.08598	9.9
85.06523	1.8
89.06045	1.8
91.05471	14.4
93.07038	24.3
95.04949	3.2
95.08596	38.7
96.08951	1.8
97.06500	2.1
97.10163	4.5
98.20732	3.6
99.08084	1.6
105.07019	29.3
105.07668	2.2
107.08584	33.1
109.06479	1.9
109.10139	35.8
111.08089	3.4
111.11702	3.3
113.09618	1.4
117.07008	5.0
119.08562	34.0
121.06522	1.4
121.10124	28.2
123.08080	3.6
123.11706	16.4
125.09599	3.0
128.06197	2.1
129.07001	4.3
130.07823	1.4
131.08559	15.6
133.10112	24.5
135.08017	1.4
135.11687	16.1
137.09593	1.7
137.13258	4.7
139.11137	1.9
141.06914	1.3
142.07695	2.7
143.08557	11.3
144.09154	1.6
145.09026	1.7
145.10110	21.8
147.08095	1.6
147.11665	17.0
149.09618	2.1
149.13255	12.5
151.11128	2.7
151.14842	1.3
155.08528	4.8
156.09261	3.6
157.10120	14.8
158.55850	1.2
159.11655	18.5
159.74498	1.2
161.09621	2.8
161.13242	16.6
163.11165	2.0
163.14778	8.2
165.12712	2.1
166.87981	1.1
169.10037	6.1
170.11060	1.2
171.11670	15.2
173.11798	1.6
173.13216	12.3
175.11140	2.0
175.14825	15.3
177.12772	1.5
177.16463	5.6
181.10127	4.1
183.11731	8.9
184.12309	1.3
185.13199	11.6
187.11177	1.8
187.14769	9.0
189.12752	3.1
189.16345	8.1
191.14305	2.7
191.18018	5.7
193.12209	2.7
193.15804	1.7
195.11723	4.6
197.13196	6.8
199.14752	9.1
201.16365	10.6
203.14348	2.2
203.17934	8.5
204.18352	1.6
205.15834	2.7
205.19452	2.1
209.13293	4.3
210.13918	1.3
211.13127	1.9
211.14865	5.1
213.12672	1.5
213.16316	7.6
214.16789	1.4
215.14354	1.8
215.17926	4.1
217.15956	2.6
217.19591	2.7
219.13835	1.4
219.17467	1.8
223.14873	2.2
225.16470	6.3
227.14325	1.5
227.17934	6.7
229.19487	4.3
231.21019	1.7
233.15341	1.7
237.16342	2.9
239.17993	5.1
241.03931	1.3
241.19456	3.6
242.06010	1.6
243.17494	3.6
243.21091	3.9
249.16336	1.8
249.18643	1.4
251.17834	3.1
253.19409	2.8
255.17245	1.8
255.21136	1.8
257.18988	2.1
257.22357	1.3
259.16956	3.7
261.18457	2.2
263.17810	1.7
265.19455	2.8
267.20990	2.3
269.19229	2.0
269.22562	2.8
271.20700	1.2
271.24097	1.7
273.18375	1.6
273.22021	1.3
279.21036	3.2
281.22607	3.3
283.20657	5.5
285.22058	2.4
293.22672	2.2
297.22006	1.8
299.23779	1.8
301.21622	3.9
307.24130	1.8
311.23685	3.3
325.25226	2.5
329.24893	1.9
357.27829	1.4
363.30469	2.3
375.30344	2.2
393.31424	3.7
403.33704	5.2
421.30179	4.2
421.35165	29.8
422.34988	1.8
439.36139	100.0
440.36578	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	439.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01844	1.6
55.05505	21.4
55.36184	1.4
57.03426	6.8
57.07056	5.6
59.04982	5.5
65.03916	3.8
67.05494	97.9
68.05836	2.4
68.11564	1.2
69.03416	3.3
69.06709	2.2
69.07059	32.6
69.59570	2.6
69.59981	9.0
71.04974	6.5
79.05045	2.4
79.05479	29.6
81.03399	21.3
81.07044	64.4
83.04961	5.9
83.08604	22.5
85.02898	13.4
85.06518	5.1
88.79745	1.3
91.04893	1.5
91.05465	29.0
93.07031	39.9
95.04944	16.2
95.08591	61.4
96.08955	2.1
97.06516	7.0
97.10143	6.2
99.08070	2.7
105.07012	46.5
107.04953	4.0
107.07852	2.9
107.08576	46.3
109.06480	7.3
109.10138	100.0
110.10470	3.1
111.08054	10.2
111.11722	3.1
113.05969	2.7
115.05439	2.0
117.07002	14.6
119.08564	51.4
120.08884	1.7
121.06475	3.9
121.10125	37.4
123.08032	6.7
123.11686	24.6
125.09613	5.5
127.11160	3.1
128.06195	1.9
129.06978	10.4
131.08546	29.5
133.10101	36.5
135.08017	5.4
135.11673	20.2
136.00880	1.8
137.05939	1.9
137.09605	4.6
137.13194	8.1
141.06949	2.1
142.07724	5.1
143.08553	16.4
145.10097	34.4
147.08028	4.2
147.11671	31.2
149.09602	5.5
149.13235	12.1
151.11115	2.4
151.14781	1.9
155.08542	7.5
156.09305	3.9
157.10103	21.9
159.07991	1.7
159.11665	26.2
161.09615	4.7
161.13246	20.6
163.11142	9.4
163.14828	10.5
165.09091	2.1
165.12778	2.6
167.08545	2.4
169.10069	9.1
171.11668	17.1
173.09494	2.3
173.11723	16.7
173.13258	18.4
175.11165	12.0
175.14784	14.3
177.12761	5.2
177.16402	8.4
179.18051	1.6
181.10083	3.6
181.12085	1.9
183.11603	8.5
185.13203	13.3
187.11185	3.3
187.14772	18.5
189.12711	6.9
189.16351	13.3
191.14282	6.3
191.17966	5.7
193.12206	23.5
195.11665	4.7
197.13229	6.0
199.14783	10.7
201.12721	3.6
201.16386	14.3
203.14340	5.4
203.17932	9.2
205.15892	2.7
207.11662	2.6
207.17435	3.7
209.13307	4.4
211.13271	27.2
211.14874	4.9
212.13676	2.3
213.12814	1.6
213.16315	8.7
215.14349	2.3
215.17967	7.4
217.12181	8.6
217.15836	4.6
217.19449	2.3
219.13719	1.9
223.14822	5.4
225.16298	6.8
227.17920	5.5
229.16060	3.2
229.19501	4.8
231.17471	3.5
231.21066	2.8
233.15269	2.0
235.14780	2.0
237.16373	2.6
239.17874	5.5
241.15845	1.9
241.19550	3.1
243.17436	6.5
243.21095	2.9
245.22708	4.8
249.18571	1.6
251.17958	5.7
253.19521	4.2
255.17497	4.9
255.21124	3.1
257.18945	2.5
261.18527	4.1
265.19553	2.6
267.15939	4.6
267.20953	3.3
269.19016	2.9
269.22714	2.8
273.18677	3.4
279.20984	3.1
283.20615	2.5
287.20062	2.1
293.22583	3.0
297.22092	3.4
301.21674	3.5
306.39471	1.4
309.25717	1.6
311.23682	2.4
321.25803	2.1
329.24893	2.2
339.26764	4.4
363.30600	4.0
379.29852	2.3
393.31390	5.4
403.33755	4.5
421.25604	3.4
421.29889	3.8
421.35208	27.8
439.26855	67.2
439.31516	14.9
439.35760	37.5
440.27203	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	439.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.05500	8.8
57.07070	8.6
58.07895	1.1
65.66250	1.0
67.05495	19.6
69.07058	14.6
70.21225	5.4
71.08615	2.3
79.05474	8.3
81.07043	69.6
83.08619	7.2
91.05476	3.8
93.07034	11.7
95.08592	100.0
96.08947	1.0
97.10151	5.1
105.06995	9.4
107.08569	11.7
109.10137	37.0
111.11703	2.3
117.06996	2.7
119.08592	8.7
121.10139	8.4
123.11686	36.8
125.13187	1.2
128.06233	1.3
131.08553	8.0
133.10101	6.8
135.11652	6.2
137.13231	63.7
138.13583	1.3
143.08466	2.2
145.10112	7.1
147.11690	6.1
149.13231	6.4
151.14818	4.9
157.10136	3.7
159.11668	6.0
161.13254	3.7
163.14850	2.2
171.11656	6.2
173.13298	7.5
175.14839	3.6
177.16325	2.1
179.17924	13.6
185.13211	6.1
187.14859	5.8
187.86459	1.1
189.16341	2.1
191.17921	2.5
199.14854	7.6
201.16301	6.1
203.18011	3.2
205.19571	2.3
213.16344	11.2
215.17947	9.9
217.12184	1.6
217.19432	1.4
227.17853	1.9
233.15372	1.8
241.19521	8.6
243.21097	6.7
245.15311	2.4
255.21011	6.6
257.22681	1.4
259.16907	12.6
261.18448	1.9
269.22577	6.6
276.43179	1.1
287.19943	2.8
289.21552	1.6
298.67841	1.2
301.21609	2.6
315.23004	1.5
393.35062	23.6
394.35532	1.3
439.35751	21.5
440.35922	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.05492	9.8
57.07064	4.3
59.83820	1.1
60.49264	1.3
67.05494	9.3
69.07053	16.8
71.08621	1.6
77.64906	1.2
79.05490	7.0
81.07043	24.5
83.08608	9.4
89.06012	1.8
91.05441	7.7
93.07024	24.7
95.08590	53.3
97.10151	5.3
98.21531	2.5
105.07007	20.8
107.08575	35.9
109.10136	37.3
111.08105	1.6
119.08566	42.5
121.10124	38.2
123.11695	11.9
125.05930	1.4
131.08528	3.0
133.10114	32.2
135.11667	26.6
137.13225	4.7
138.49442	1.3
139.07466	2.0
142.09193	1.7
145.10097	4.5
147.11668	29.0
149.13251	16.3
153.09039	6.3
159.11676	3.6
161.13242	14.5
163.14790	18.9
165.09152	1.5
167.10664	4.1
173.13237	2.6
175.14784	10.6
177.16386	9.5
179.17706	1.5
187.14824	3.9
189.16351	45.7
191.17914	100.0
192.18260	1.7
194.67241	1.2
201.16324	11.0
203.17918	96.1
205.19485	25.4
207.17409	2.1
207.48286	1.4
213.16335	1.5
215.17906	2.9
217.19504	12.0
221.15382	1.9
221.18977	4.0
229.19508	3.5
229.26932	1.6
231.17494	1.7
231.20940	5.6
235.16899	5.4
243.21191	1.4
247.16884	5.5
249.18437	25.5
261.18518	3.0
282.24759	1.5
323.91275	1.4
326.90225	1.3
393.35071	10.2
421.34616	1.5
439.35678	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	439.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.05503	10.1
57.03426	2.8
57.07048	4.6
57.31504	1.3
67.05160	2.6
67.05492	30.3
69.03414	2.3
69.07050	16.7
69.81112	1.4
79.05477	12.2
81.03394	2.0
81.06564	2.9
81.07040	48.9
81.08585	1.4
83.04973	3.3
83.08617	12.0
85.02898	2.1
85.06527	1.8
88.80253	1.5
91.05464	18.5
93.07025	32.2
95.04951	3.6
95.08588	87.7
96.08949	2.1
97.06507	9.9
97.10133	5.4
98.21529	2.7
99.08058	1.6
103.54222	1.3
105.07011	36.6
107.08573	51.5
109.06489	3.1
109.10140	44.3
111.08060	12.0
111.11735	2.0
113.09643	1.6
117.06986	5.0
119.08562	64.4
121.06457	9.6
121.09290	3.1
121.10121	39.0
123.08050	8.9
123.11672	17.7
129.06967	4.8
131.08553	16.1
133.10109	42.7
135.08023	12.3
135.11665	22.0
137.09576	3.5
137.13210	14.8
142.07750	1.8
143.08527	8.7
145.10086	25.1
147.08035	14.1
147.11662	33.8
148.12337	1.8
149.09605	4.4
149.13226	20.7
151.11195	1.6
153.09099	4.1
155.08498	1.9
156.09305	2.4
157.10109	12.7
159.07973	3.2
159.11653	20.0
160.12465	1.8
161.09601	32.6
161.13228	26.4
163.11107	4.3
163.14775	15.8
169.10019	2.6
170.10905	2.3
171.11668	8.0
173.09576	3.9
173.11751	3.2
173.13173	16.5
175.11153	17.9
175.14778	21.1
177.09129	1.7
177.12704	4.2
177.16353	31.3
179.17949	2.6
183.11658	4.8
185.13222	15.6
187.11140	8.5
187.14786	29.7
188.11938	2.4
189.12715	41.1
189.16348	36.1
190.16507	1.6
191.14285	20.9
191.17921	35.4
193.12209	4.4
197.13260	2.2
198.13744	1.7
199.14801	8.7
201.12695	12.3
201.16333	19.3
203.14285	44.6
203.17909	38.8
204.14662	2.8
204.18130	1.9
205.12294	1.6
205.15898	7.1
205.19469	9.9
207.17400	2.0
209.03899	1.4
209.13266	2.3
211.14842	2.5
213.16318	9.3
215.14287	19.0
215.17842	13.5
217.12247	2.6
217.15875	12.6
217.19440	8.2
219.13921	1.7
219.17418	7.4
225.16260	2.3
227.17931	3.1
229.15846	5.9
229.19368	2.8
231.13695	1.7
231.17390	3.7
231.21120	3.9
233.15358	2.2
235.16953	4.4
239.17941	2.9
241.19447	4.8
243.17383	2.3
243.20970	3.3
245.15210	2.0
247.16948	8.2
249.18437	4.3
253.19518	2.4
259.16943	5.3
261.18469	10.3
269.18936	1.9
269.22662	2.7
285.18246	2.2
289.21698	1.9
297.22104	10.2
297.25656	2.9
299.23636	2.0
315.23083	2.8
323.23657	2.9
347.26944	1.7
355.25742	1.6
375.30539	10.6
393.31345	100.0
394.31723	7.0
421.30676	12.8
438.25061	1.5
439.26529	3.2
439.31702	33.1
439.35959	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
53.26883	0.6
55.05495	6.8
57.03419	0.9
57.07069	1.3
59.04998	0.7
65.03912	1.5
67.05492	14.0
69.03414	1.8
69.07054	8.4
71.03922	1.3
71.04278	1.1
71.04983	1.4
79.05471	8.0
81.03403	1.6
81.06568	1.3
81.07040	19.8
82.69709	0.7
83.04957	1.7
83.08591	3.6
85.02903	0.8
85.06512	0.8
91.05460	8.7
93.07029	15.4
94.07387	0.7
94.26798	0.7
95.04930	1.7
95.08586	29.3
97.06502	3.2
97.10165	1.4
101.28112	0.7
105.07003	18.9
105.07670	1.3
107.08569	26.7
109.06470	4.5
109.10132	20.6
110.10459	0.8
111.08087	1.9
115.05412	0.8
117.07012	2.2
119.08559	31.0
121.06465	4.6
121.10126	19.1
121.11006	0.8
122.10484	0.6
123.08037	6.5
123.11688	4.7
125.09620	1.1
128.06187	0.7
129.06975	2.3
131.08546	7.5
133.06503	1.3
133.09085	1.2
133.10103	22.4
135.08018	8.8
135.11673	9.3
137.09590	2.3
137.13191	1.6
142.07768	1.1
143.08510	3.1
145.10089	14.6
147.08009	10.8
147.11673	14.6
149.09608	3.7
149.13216	7.2
153.09106	1.1
156.09319	0.7
157.10095	5.8
159.08005	0.8
159.11665	8.9
161.09583	18.4
161.13234	14.4
163.03897	0.8
163.11130	4.3
163.14781	11.6
169.10065	1.0
170.10947	0.8
171.11658	2.8
173.09589	1.5
173.11806	1.0
173.13202	8.0
175.11163	10.9
175.14775	15.6
176.11861	2.6
177.12720	5.8
177.16365	15.8
179.14316	1.1
183.11768	1.5
184.07260	0.8
185.13219	6.7
187.11218	6.0
187.14789	18.7
189.12709	14.1
189.16344	18.9
191.03355	4.8
191.14256	5.2
191.17931	5.0
192.03867	0.7
193.12250	1.9
197.13275	1.3
199.14856	4.6
201.12708	2.0
201.16316	8.4
203.14278	24.9
203.17920	13.4
204.14621	0.9
205.15831	5.0
205.19598	1.2
209.13310	0.8
211.13150	1.1
213.16339	2.1
215.14244	8.1
215.17944	2.6
217.15833	6.2
217.19446	2.7
219.17366	3.2
227.17934	1.2
229.15826	2.1
229.19487	1.3
231.17447	1.1
231.21216	1.1
235.16975	1.5
243.17467	1.0
243.21017	0.8
245.18929	0.9
247.16989	1.0
249.18509	1.2
251.17973	1.1
256.57047	0.9
267.15808	1.3
296.38324	0.7
297.22147	0.9
299.23346	0.7
333.25604	0.8
375.30493	3.7
388.56192	0.7
393.31427	58.0
394.31686	3.7
395.33032	8.5
403.29861	1.1
421.30869	6.7
422.31097	0.7
439.27200	5.9
439.32022	100.0
440.26877	1.2
440.32248	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	439.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.0
55.05505	12.6
57.03410	1.0
57.07043	3.3
58.00072	0.8
59.04984	0.9
59.07599	0.8
65.03913	1.6
65.71963	0.8
67.05497	26.6
69.03399	1.7
69.07057	13.9
71.04990	6.9
74.67796	0.8
79.05060	1.3
79.05482	18.8
81.03387	0.9
81.07046	51.3
82.07350	1.4
83.04945	2.6
83.08609	6.0
85.06053	1.2
85.06525	14.5
87.40896	0.9
91.05466	25.0
93.07032	45.6
94.07362	1.0
95.04969	4.8
95.08593	100.0
96.08886	1.6
97.06525	5.8
97.10169	4.8
98.20689	2.0
99.08046	2.2
103.05442	2.2
105.07017	62.3
107.04916	1.3
107.08580	55.5
108.08891	1.9
109.06473	3.8
109.10139	35.4
111.08092	4.8
111.11639	1.1
113.05938	1.1
113.09632	22.8
115.05455	1.7
117.06226	1.1
117.06998	14.8
118.07753	2.2
119.08565	63.0
120.08846	1.8
121.06442	3.1
121.10126	36.6
121.24673	0.9
123.08005	4.0
123.10941	0.9
123.11699	10.4
125.05912	0.9
125.09548	2.5
127.11108	1.2
128.06242	4.7
129.06987	13.8
130.07722	1.7
131.08553	39.6
132.09360	7.0
133.06435	1.5
133.10114	53.2
135.07993	3.1
135.11676	21.0
137.05898	1.3
137.09573	2.0
137.13191	4.1
139.11105	1.2
141.06897	2.9
142.07744	8.6
143.07489	1.8
143.08545	26.3
144.09300	2.2
145.06430	1.2
145.10098	55.1
146.10728	2.8
147.07991	3.8
147.11671	36.5
149.09558	3.0
149.12170	1.4
149.13242	20.7
151.07484	1.5
151.11104	1.8
153.12656	1.0
155.08536	7.4
156.09271	5.3
157.10100	36.2
158.10831	2.2
159.08012	2.0
159.11676	39.6
159.12997	2.3
160.12321	2.2
161.09532	4.2
161.11989	1.3
161.13235	24.5
162.13391	1.2
163.11099	3.0
163.14793	9.9
165.12659	1.3
168.09300	2.0
169.10086	9.5
170.10846	2.7
171.07968	1.3
171.10251	1.3
171.11659	21.2
172.12363	2.4
173.09523	3.7
173.11758	2.3
173.13234	30.9
174.13727	1.1
175.11156	4.6
175.14812	22.3
177.09059	2.0
177.12718	2.0
177.16371	8.0
179.10533	2.2
179.14201	1.1
180.09296	1.2
181.10052	3.1
182.10762	1.9
183.11662	9.1
185.09554	2.0
185.13229	16.5
186.13716	1.8
187.11084	2.9
187.14790	26.7
189.12692	2.6
189.16351	18.1
190.16631	1.8
191.10620	4.6
191.14229	2.8
191.17850	3.0
193.10237	1.1
193.12160	2.7
193.15807	2.2
195.11694	5.6
196.12329	2.1
197.13239	10.7
198.13950	1.1
199.11122	2.0
199.14795	16.5
201.12801	5.2
201.16344	18.6
203.10527	1.5
203.14223	3.2
203.17970	7.9
205.12122	2.7
205.15810	3.7
205.19391	1.2
207.13702	2.3
207.17462	7.3
209.13312	5.5
211.14830	9.6
212.15254	1.0
213.12752	4.3
213.16277	7.7
215.14368	5.4
215.17888	6.1
217.12169	7.3
217.15808	1.9
217.19386	2.2
219.13817	6.0
219.17310	7.3
221.13251	2.1
221.15204	1.2
221.18887	1.9
223.14745	2.9
225.16309	5.7
227.14398	4.5
227.17915	5.1
229.15694	2.7
229.19408	2.7
231.13777	15.0
231.17355	2.7
231.20990	1.4
233.15327	7.3
233.18913	2.4
235.14743	1.7
237.16267	2.7
239.17928	5.6
241.19308	1.8
245.15320	7.8
245.18918	1.6
247.16809	4.1
247.20499	1.7
251.17728	2.6
253.19553	5.0
255.21002	1.2
259.16769	1.4
259.20541	1.6
265.19431	2.5
267.20963	4.0
271.17007	1.4
271.20477	1.2
273.18475	1.2
273.22067	2.0
276.44028	1.0
279.20825	1.9
281.22446	1.9
283.20584	1.6
285.18320	3.2
285.21970	2.6
291.21140	1.0
293.22501	1.3
295.20221	1.3
297.21927	2.8
299.19849	1.5
299.23373	1.1
305.22348	1.3
309.21799	2.3
311.23404	1.2
313.21478	1.9
319.24042	1.5
325.21332	2.5
325.25003	2.0
327.22928	3.9
335.27362	1.2
337.24902	1.4
339.26440	1.7
351.22919	1.1
353.24475	3.0
363.26443	2.6
365.24225	2.1
365.28165	5.3
375.30252	2.9
381.27808	2.1
393.31476	26.1
394.31537	1.9
395.32822	2.7
403.29691	9.0
411.32690	2.3
421.30759	38.6
421.35992	2.2
422.31274	1.5
439.31717	88.8
440.32031	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	439.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.05501	11.5
57.03417	2.0
57.07051	2.4
65.03910	2.4
67.05167	1.8
67.05495	23.6
69.03414	3.3
69.07056	15.0
69.82748	4.9
69.83155	1.9
71.01338	1.7
71.04969	3.1
77.58029	0.9
79.05477	15.9
79.58924	1.2
81.03393	3.5
81.06567	2.4
81.07043	49.3
83.04984	5.3
83.08613	8.8
85.02891	2.3
85.06527	1.3
86.58475	1.0
91.05457	15.8
93.07032	38.8
94.07376	1.0
95.04960	5.5
95.08591	67.6
96.08929	1.6
97.06496	3.0
97.10133	4.2
99.04439	2.2
103.05447	1.2
104.10725	1.2
105.07012	37.6
106.07328	1.1
107.04924	1.1
107.08578	50.0
109.06475	2.6
109.10138	35.2
111.04401	2.2
111.08071	3.7
113.05959	3.8
115.05326	1.1
117.06985	5.5
119.04923	1.0
119.08560	51.0
120.08851	1.2
121.06501	6.3
121.10126	44.7
121.11015	2.2
123.08071	4.7
123.11694	10.2
125.05904	1.6
125.09637	2.0
125.43928	1.1
128.06207	1.4
129.05469	1.6
129.06979	4.7
130.07832	1.5
131.08549	17.3
133.06461	1.1
133.07553	1.1
133.10112	32.5
133.11078	2.3
135.08044	8.0
135.11664	15.9
137.05969	1.8
137.09590	2.9
137.13249	2.2
139.07483	1.3
141.07051	1.9
142.07745	4.1
143.08539	12.3
144.09317	1.6
145.10101	26.3
146.10493	1.1
147.07977	3.9
147.11661	20.8
149.02313	2.2
149.05879	1.7
149.09564	4.3
149.13228	23.0
151.07521	3.7
151.11182	1.7
153.09079	1.8
155.08524	3.3
156.09369	2.9
157.10100	15.4
158.10837	1.4
159.08038	3.0
159.11655	23.8
161.09613	8.8
161.13223	18.1
163.07547	1.5
163.11107	2.1
163.14795	25.3
165.12756	3.5
167.08516	1.5
168.09349	1.3
169.10124	7.0
170.10843	3.0
171.11642	11.5
173.09656	5.2
173.11824	1.1
173.13240	16.7
175.11177	8.1
175.14790	21.9
177.09167	1.4
177.12727	4.1
177.16359	46.1
179.08554	1.1
179.10655	1.3
179.17923	2.3
181.08568	2.0
181.10077	2.3
183.11604	8.9
184.07307	1.6
185.09557	2.8
185.13202	10.8
186.13753	1.2
187.11179	5.3
187.14798	27.6
188.15143	1.2
189.12766	9.3
189.16380	15.2
191.10863	1.1
191.14284	3.7
191.17943	8.3
193.04935	3.5
193.10095	1.4
193.12187	2.9
193.15848	8.3
194.05371	2.0
195.11681	4.3
196.12386	1.3
197.13274	6.7
198.10228	1.3
199.11160	2.0
199.14778	9.4
201.12714	4.6
201.16338	16.4
203.14360	9.4
203.17935	15.3
205.12166	3.1
207.11766	1.7
207.13843	2.5
207.17429	1.3
209.13219	4.4
211.13098	1.8
211.14838	3.9
213.12717	3.1
213.16267	8.4
215.14363	7.2
215.17914	12.4
217.12469	1.1
217.15851	3.5
217.19588	1.7
219.13794	2.1
221.13203	1.7
221.15146	1.2
223.14763	2.0
225.16373	3.9
227.14314	2.3
227.17876	5.0
229.15886	4.9
229.19405	6.7
231.13759	2.9
233.15323	2.0
237.16374	2.2
239.14272	1.4
239.17920	2.7
241.19527	2.2
243.13770	1.6
243.21127	1.5
245.15373	4.9
247.16924	3.2
249.14752	5.2
251.17995	1.5
253.19438	2.5
257.15448	1.3
261.14627	2.1
263.16260	2.3
267.21063	2.2
269.22510	1.7
273.18506	1.5
273.97238	1.1
277.58502	1.1
279.21231	1.9
285.18564	1.3
295.20602	1.8
297.21939	1.4
303.19452	3.4
307.20563	1.9
309.22211	1.4
309.25705	23.6
313.21533	1.6
325.21707	5.5
343.22678	4.0
348.29492	1.1
375.30319	2.9
385.28793	1.5
391.29861	3.7
393.31448	10.1
403.29575	6.9
409.31104	5.2
421.30817	38.0
422.31064	1.8
439.27301	5.9
439.31964	100.0
440.32410	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	439.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.3
55.05503	6.4
57.03425	1.4
57.07067	1.1
61.66969	0.7
65.03915	2.0
67.05167	1.4
67.05493	17.4
69.03400	2.0
69.07059	7.6
69.27524	1.7
69.27934	7.5
71.04977	1.0
71.88842	0.7
73.40742	0.8
79.05478	9.3
81.03388	3.0
81.07043	23.3
83.04958	2.7
83.08610	5.2
85.02908	1.0
88.43155	0.8
91.05461	11.9
93.07031	19.7
95.04951	2.9
95.08591	41.0
97.06528	2.7
97.10153	1.4
105.07014	24.1
107.08577	32.8
109.06499	6.2
109.10138	19.9
111.08035	3.3
117.06994	2.7
119.08562	46.4
120.08953	0.8
120.68977	0.9
121.06481	5.3
121.10123	26.2
122.10538	0.9
123.08062	5.3
123.11679	4.8
125.09652	0.9
129.07013	2.6
130.07854	1.0
130.08861	0.9
131.08540	8.1
133.10106	32.2
135.08015	10.1
135.11661	11.2
137.09567	2.6
142.07799	1.9
143.08517	5.7
144.09378	0.8
145.10091	13.9
147.08032	10.7
147.11665	19.9
149.09581	4.1
149.13242	9.6
151.11183	0.9
153.00900	0.9
153.09067	2.2
157.10110	7.7
158.10939	1.0
159.08054	1.0
159.11665	11.1
160.08806	1.0
161.09607	20.4
161.13235	16.4
162.10110	1.3
163.03958	1.3
163.11200	5.3
163.14763	7.5
167.10660	1.3
169.10001	1.5
170.10931	1.3
171.11681	3.9
173.09637	2.5
173.11734	2.2
173.13220	7.5
175.11169	17.5
175.14798	20.4
176.11772	1.3
176.15155	1.6
177.12743	8.3
177.16365	19.7
179.14223	1.1
183.11620	1.9
185.13217	6.5
187.11185	6.2
187.14789	13.6
189.12715	25.3
189.16359	28.6
191.03392	5.6
191.14284	7.1
191.17900	8.9
193.12228	3.0
193.15918	1.6
197.13275	1.7
199.14827	4.2
201.12712	2.8
201.16310	5.2
203.14273	42.3
203.17941	13.9
204.14656	2.4
205.15779	5.6
207.17383	1.9
211.13260	2.3
211.14932	1.6
213.12778	1.0
213.16376	2.8
215.14268	5.4
215.17970	2.4
217.15831	11.6
217.19377	2.3
219.17453	2.8
225.16502	1.0
227.17915	1.2
229.15904	1.9
229.19423	1.8
231.17401	1.0
235.16879	2.7
239.17982	0.9
241.19499	1.5
243.17397	1.7
243.21014	1.6
249.18477	1.0
258.65329	0.8
265.19556	0.9
279.21069	1.2
287.30981	0.9
297.22110	8.9
323.23593	2.7
344.72650	0.9
351.26767	1.2
352.34332	0.9
359.16315	0.9
375.30283	4.9
393.31467	100.0
394.31778	7.4
403.30002	2.8
421.25958	1.3
421.31003	11.7
422.31531	1.5
439.26831	7.8
439.32019	74.7
440.27063	1.4
440.32413	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	439.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.05498	14.0
57.03420	2.8
57.07053	4.3
59.04976	1.3
61.42384	1.1
65.03925	3.1
67.05492	39.8
67.54190	1.1
69.03412	3.9
69.07054	20.5
69.54309	7.9
70.32840	1.2
71.04988	3.1
79.05477	23.5
81.03402	3.4
81.07043	62.2
83.04973	7.8
83.08610	10.4
85.02885	4.3
85.06506	2.6
91.04895	1.3
91.05463	26.3
93.07027	46.9
94.07331	1.8
95.04953	8.1
95.08590	80.6
97.06518	5.3
97.10126	6.0
99.04448	7.9
103.05440	1.9
105.07011	50.7
107.04930	1.8
107.08575	74.2
109.06486	5.9
109.09366	2.3
109.10130	46.0
111.04432	1.3
111.08068	4.9
113.06002	1.5
115.05452	3.4
117.07006	10.5
119.08565	66.8
121.06474	8.9
121.10121	58.6
123.08070	6.9
123.11705	10.2
125.05989	2.9
125.09654	3.0
127.07543	3.4
128.06192	2.7
129.06981	5.8
130.07744	2.3
131.08540	26.5
133.06488	2.7
133.10107	36.5
133.11061	2.1
135.08046	14.5
135.11665	23.3
137.05952	4.3
137.09622	4.1
137.13255	3.1
139.07549	1.2
141.06976	3.2
142.07727	6.2
143.08545	15.5
144.09306	3.5
145.06432	1.5
145.10098	44.7
146.10635	1.3
147.08057	4.4
147.11662	28.3
149.02275	1.3
149.09596	6.3
149.13228	47.0
150.13509	1.4
151.07526	9.7
151.11107	2.3
155.08565	6.6
156.09290	8.5
157.10112	21.4
158.10869	4.1
159.08028	3.3
159.11664	35.0
159.78505	1.3
161.09610	11.2
161.13214	20.9
163.07529	1.8
163.11183	4.8
163.14789	37.8
163.16066	2.2
163.28177	1.2
165.09137	3.4
165.12697	2.8
167.08580	1.7
168.09285	1.5
169.08800	2.3
169.10049	9.0
170.10875	4.9
171.08035	3.1
171.11652	20.6
172.08794	1.9
173.09587	7.3
173.11780	2.8
173.13206	21.7
174.10460	1.8
174.13612	1.3
175.11188	10.7
175.14789	31.2
177.09166	1.3
177.12772	5.3
177.16359	63.4
179.08470	1.5
179.14272	2.2
179.17883	2.4
181.10080	1.9
182.10841	2.6
183.11688	8.0
185.09576	3.8
185.13229	19.2
186.10313	1.2
187.11223	6.4
187.14780	45.2
188.15186	1.6
189.09149	1.5
189.12753	12.4
189.14651	2.1
189.16347	26.1
190.16701	2.0
191.10695	2.0
191.14290	4.7
191.17888	11.3
193.10252	1.3
193.12230	4.8
193.15874	3.8
195.11667	5.1
196.12495	1.6
197.13174	8.9
198.10390	1.5
199.11172	3.2
199.14793	11.9
201.12694	17.9
201.14468	1.9
201.16338	17.3
203.10718	2.9
203.14281	11.8
203.17914	16.3
205.12245	2.3
205.15865	1.2
207.11732	2.7
207.13710	2.4
209.13249	4.8
211.11284	2.2
211.13068	2.3
211.14851	7.1
213.12695	6.3
213.16359	7.8
214.44383	1.2
215.14345	7.6
215.17867	10.8
217.12195	1.7
217.15921	5.8
217.19574	2.7
219.13774	3.1
221.13229	2.4
223.14833	3.5
224.54066	1.7
225.12750	3.0
225.16406	5.1
227.14343	5.6
227.17958	5.1
229.15930	7.0
229.19537	4.8
231.13811	6.8
231.17433	2.0
233.15369	2.6
235.13181	3.0
237.16374	1.7
239.14290	1.7
239.17989	3.4
241.15733	2.7
241.19539	1.5
243.13872	3.3
243.17430	1.6
243.21175	1.6
245.15314	7.0
247.16942	5.0
249.14757	20.2
251.17996	2.6
253.19521	3.4
255.17407	2.3
257.15311	1.3
261.14899	5.4
263.16324	2.4
265.19647	1.8
267.20984	2.2
269.19025	1.4
269.22757	1.2
273.18536	1.5
275.16342	2.8
277.19437	1.4
279.21063	3.3
281.22598	1.6
289.18015	1.7
295.20993	1.9
295.24237	4.2
297.22003	1.4
307.20349	2.4
309.25662	2.4
311.27460	1.6
323.27432	2.1
325.21643	3.0
327.26605	1.3
333.25693	1.8
335.27277	2.2
343.22592	6.0
344.23801	1.2
351.26752	1.4
369.24243	2.0
373.29160	2.9
375.30600	4.1
379.26044	1.7
379.30179	1.5
385.28790	2.5
391.29770	8.4
393.31430	5.0
403.29861	14.5
404.29895	1.4
409.30774	6.6
421.26053	2.5
421.30978	38.2
422.31195	2.0
439.27255	7.7
439.32019	100.0
440.32349	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
55.01874	1.1
55.05501	15.9
57.03224	0.7
57.03432	8.3
57.07069	1.7
59.04980	4.3
61.02909	1.3
65.03925	3.0
67.05494	100.0
68.05807	0.9
69.03425	5.1
69.07059	8.1
71.04988	6.2
79.05478	16.2
81.03404	30.9
81.07041	29.8
83.04966	8.7
83.08607	19.1
85.02890	18.7
85.06538	4.5
91.05465	23.4
91.05995	1.4
93.07028	14.7
95.04948	15.8
95.08595	12.7
97.02883	2.9
97.06515	2.9
97.10188	2.1
98.20782	1.7
99.08079	1.9
105.04465	0.9
105.07013	13.9
107.04955	4.8
107.08569	9.1
109.06525	3.4
109.10139	67.8
111.04464	1.8
111.08060	9.0
113.06007	1.4
117.07011	1.8
119.08569	18.2
120.08131	1.3
121.06514	3.1
121.10133	8.3
123.08084	2.3
123.11687	2.0
125.09643	2.7
129.06979	5.8
129.12674	0.9
131.08537	7.2
133.06462	0.9
133.10109	7.4
135.11668	1.5
137.09608	4.9
137.13234	1.0
142.07794	2.4
143.08595	0.8
144.82811	0.8
145.10127	3.5
145.80193	0.8
147.08076	1.3
147.11661	10.0
147.12561	0.8
149.09612	4.0
149.13290	0.9
151.07556	1.3
151.11145	0.8
155.10674	2.0
157.10109	8.8
161.13351	1.1
163.03943	1.5
165.09128	1.6
165.12733	2.4
173.11732	17.7
173.13139	0.9
175.11133	9.3
175.14828	1.0
187.14737	1.2
191.03418	3.2
193.12212	31.1
211.13240	41.0
212.13722	1.1
213.16400	0.9
229.14313	4.7
252.11571	1.0
267.15826	4.0
269.12302	2.7
270.12689	2.7
271.12244	2.9
285.16968	1.2
329.21188	1.1
421.25919	5.3
439.27060	96.0
440.27759	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	439.2837
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
53.03913	1.0
55.05511	7.3
57.03417	1.1
57.07045	2.2
67.05495	15.7
69.03373	2.8
69.07065	8.9
70.08393	0.8
71.04963	1.0
71.08559	1.0
71.48302	1.0
79.05058	1.0
79.05478	11.5
81.03382	2.0
81.07050	22.7
83.04971	4.8
83.08616	5.6
85.02869	1.9
85.06490	2.4
86.09682	1.1
91.04976	1.1
91.05462	13.0
93.07032	18.3
95.04902	3.5
95.08599	24.1
97.06457	2.6
97.10127	1.7
100.03979	1.0
105.07018	26.7
107.08576	21.6
109.06518	8.0
109.09369	0.9
109.10133	17.8
111.08025	3.8
113.05873	0.8
117.07008	5.6
117.32210	0.9
117.99644	1.0
119.08567	34.8
121.06420	3.8
121.10133	16.0
123.07974	4.0
123.11684	5.9
125.05914	1.1
125.09575	2.4
127.07502	1.9
128.06161	1.3
129.06900	4.3
131.07738	1.2
131.08557	14.6
133.10127	20.2
135.08037	6.7
135.11673	9.8
137.09529	4.0
137.13167	3.6
139.07472	1.5
141.06927	1.8
142.07687	2.7
143.08548	11.7
144.09277	2.2
145.09058	1.2
145.10094	20.9
147.07936	2.6
147.11674	16.9
149.09512	3.7
149.13255	6.6
149.77069	0.9
151.07489	1.4
151.11084	1.6
153.09039	1.3
155.08452	3.2
156.09232	3.4
157.10098	13.2
158.10922	1.0
159.07968	1.3
159.10455	1.2
159.11665	16.5
161.09584	6.7
161.13245	12.3
163.11082	2.7
163.14709	3.3
165.12672	1.5
167.08481	2.0
168.09309	1.1
169.10132	6.6
170.10840	2.0
171.10486	1.0
171.11678	12.0
173.09578	1.4
173.11838	1.7
173.13240	11.2
175.11208	5.1
175.14810	10.8
177.12642	4.0
177.16269	3.6
179.10605	1.5
179.14284	1.1
181.10002	1.8
182.10820	1.3
183.11659	7.8
184.07280	2.0
185.13245	14.5
187.11069	2.8
187.14841	10.9
189.12785	7.6
189.16451	4.6
191.14240	2.3
191.17793	2.6
193.12036	2.5
195.11546	4.1
195.13295	1.1
197.13200	6.6
198.71623	0.9
199.11125	2.1
199.13234	0.9
199.14790	10.3
201.12706	5.3
201.16365	6.5
203.14253	4.5
203.17831	2.9
205.12090	1.3
209.13115	4.3
210.13716	1.3
211.12973	1.3
211.14841	4.5
213.12727	2.0
213.16344	6.7
215.14177	1.4
215.17891	2.4
217.12189	1.5
217.15681	1.2
219.13661	2.3
221.13086	1.6
223.14790	1.8
225.12749	0.9
225.16245	3.7
227.17802	2.3
229.19073	1.0
231.13708	1.3
231.17204	1.4
233.13179	1.2
235.14784	1.6
237.16269	2.3
238.17096	0.9
239.17889	4.6
241.19385	2.0
245.04715	1.2
251.17789	2.4
253.19305	4.1
255.20955	1.3
265.19186	1.1
267.20938	1.1
269.18488	1.0
281.18768	1.6
282.62955	1.0
299.19952	1.3
305.18976	1.2
305.22162	1.1
311.19751	1.1
357.25656	1.7
375.26636	11.6
377.28171	1.2
385.25024	1.6
393.27200	1.7
393.31412	3.1
403.25848	3.7
409.30798	1.2
421.26175	9.0
421.31949	4.6
439.27911	100.0
439.35309	3.7
440.28519	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	439.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
53.86019	0.7
55.01862	2.2
55.05500	14.8
55.69918	0.7
57.03429	6.5
57.07060	1.6
59.04999	4.8
65.03919	2.8
67.05494	100.0
68.05811	1.7
69.03403	2.9
69.07062	9.6
71.04979	5.5
79.05053	1.1
79.05482	13.4
80.05814	0.8
81.03407	32.4
81.07042	29.4
83.03084	0.8
83.04974	7.0
83.08605	17.0
85.02417	1.2
85.02895	16.6
85.06528	3.3
88.90497	0.8
91.05465	21.1
91.06004	1.7
93.07025	15.2
95.04950	16.3
95.08595	11.7
97.02871	1.8
97.06509	5.5
97.10125	2.0
99.08067	1.6
105.06371	1.4
105.07016	15.8
107.04966	3.6
107.08572	11.3
109.06485	3.0
109.10139	65.1
111.04440	1.8
111.08069	8.2
113.05995	2.1
115.05471	1.5
115.36512	0.8
117.06979	1.6
119.08562	17.1
120.08962	0.8
121.06467	1.0
121.10125	7.3
123.04356	0.9
123.08042	2.9
123.11678	2.4
125.06080	0.8
125.09598	1.1
127.11130	1.6
129.06981	6.5
129.12679	0.9
131.08557	7.3
133.06470	1.7
133.10107	7.4
135.08000	1.0
135.11621	1.6
137.09618	4.3
142.07774	1.9
143.08524	2.5
145.10078	4.1
147.08023	2.9
147.11650	9.8
149.02333	2.5
149.09602	3.4
149.13217	1.1
151.03784	0.9
151.11304	0.8
155.08536	1.2
155.10660	4.2
157.10095	9.5
159.08131	0.9
159.11723	3.9
161.09647	1.6
163.03871	1.5
163.11139	1.3
163.14761	0.9
165.09155	1.3
165.12796	1.8
167.03386	1.0
169.10071	1.0
171.11671	1.4
173.11726	19.9
173.13226	2.4
175.11162	8.7
175.14803	1.3
183.06543	1.0
184.07269	1.5
185.13286	1.8
187.14830	1.6
189.16368	0.9
191.03403	6.1
193.10426	1.6
193.12201	29.1
199.14815	1.7
201.16383	1.4
203.17871	1.0
211.13248	40.3
213.16357	1.1
219.10181	1.0
219.17386	0.8
221.15605	0.8
229.14215	3.6
229.27681	0.9
233.26167	0.9
249.14793	1.2
267.15717	4.9
376.17117	0.9
403.25763	1.1
421.26129	5.0
421.30975	1.4
439.26862	99.8
440.27277	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	439.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.01858	1.8
55.05498	16.2
57.03427	7.8
57.07062	1.7
57.62322	0.5
59.04999	4.1
65.03934	3.2
67.05493	100.0
67.90089	0.6
68.05806	1.4
69.03414	3.7
69.07056	6.6
69.47156	5.4
71.04978	7.6
79.05477	14.6
80.46046	0.6
81.03403	32.5
81.07040	31.5
82.03754	0.6
82.07391	0.7
83.04966	7.9
83.08605	16.4
85.02890	18.7
85.06516	3.6
87.04464	0.7
91.05463	23.0
93.07025	15.4
95.04951	15.5
95.08591	14.2
97.02876	2.4
97.06498	2.8
97.10147	2.6
97.52553	0.6
98.21553	1.0
99.08054	1.4
103.05477	0.6
105.07009	15.4
106.07351	0.7
107.04955	3.2
107.08564	8.6
109.06509	4.2
109.10136	71.7
110.10466	1.1
111.04412	1.5
111.08063	9.2
113.05994	2.2
115.05404	1.2
117.07005	2.1
117.74836	0.6
119.08558	17.3
121.06493	1.2
121.10120	5.5
123.08053	1.7
123.11707	2.2
125.09602	2.0
127.11194	0.6
128.06157	0.8
129.06973	5.5
131.08527	8.2
133.06433	1.6
133.10107	7.3
135.08002	1.0
135.11703	1.4
137.09601	5.7
137.13210	0.6
142.07780	1.4
143.08504	1.4
145.10114	3.1
147.04390	1.3
147.08028	2.2
147.11649	9.5
147.12744	0.6
149.02388	0.8
149.09615	4.0
149.13200	1.3
153.01808	0.7
155.08543	0.9
155.10620	4.0
157.10091	8.1
159.11652	1.8
161.09641	1.1
161.13239	0.8
163.03934	0.7
163.11153	1.1
165.01822	7.3
165.09145	1.7
165.12740	1.7
169.10120	0.7
171.11664	0.8
173.11717	20.1
173.13113	1.3
175.11159	10.1
175.14799	0.8
180.69174	0.5
183.02864	7.8
183.11763	1.0
185.13272	0.9
187.14769	1.3
189.09035	0.6
189.12733	0.7
191.03363	2.5
193.12209	30.6
194.12587	0.9
197.13197	0.7
197.84033	0.5
199.14902	0.8
201.16356	1.3
205.04846	0.8
211.13251	38.5
212.13707	1.1
229.14203	3.8
231.40634	0.6
233.18893	0.6
259.17087	0.6
267.15900	3.4
285.07486	6.6
285.16922	0.7
319.11792	0.7
329.21231	0.8
367.58450	0.6
403.30209	1.1
421.25964	4.2
421.30765	1.0
439.26849	99.9
439.31818	3.9
440.27121	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	439.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.01853	1.7
55.05501	17.0
57.03434	5.7
57.07061	1.8
59.04995	4.5
60.66664	0.8
62.69852	0.9
65.03924	3.4
66.91680	0.8
67.05494	100.0
68.04222	0.8
68.05800	1.4
69.03407	2.6
69.07063	10.8
71.04982	7.0
79.05482	19.5
81.03407	29.5
81.07045	42.2
83.04984	5.8
83.08131	1.2
83.08607	17.4
85.02889	16.5
85.06520	3.1
85.32589	0.9
86.76041	0.9
91.05464	28.5
93.06456	1.6
93.07030	23.3
95.04951	14.6
95.08594	34.8
97.02846	2.4
97.06506	3.6
97.10153	3.0
99.04436	3.3
103.05472	1.3
105.07018	28.5
107.04950	3.2
107.08578	25.8
109.06503	4.3
109.10139	78.3
111.04426	1.5
111.08063	10.3
113.05987	2.0
115.05456	1.6
117.07008	3.0
119.08565	33.2
121.06496	3.6
121.10121	18.6
123.08062	3.4
123.11700	5.7
125.05946	1.3
125.09579	1.7
127.11181	1.4
128.58049	0.9
129.06993	7.7
130.07785	0.8
131.08537	14.2
133.06494	1.8
133.10110	17.3
135.08035	3.4
135.11681	9.5
137.05923	1.8
137.09586	4.8
137.13240	2.1
141.06978	1.5
142.07738	2.3
143.08537	3.7
144.09352	1.2
145.10103	12.9
147.08043	3.7
147.11670	17.7
149.09610	4.4
149.13242	9.6
151.07484	1.2
151.11157	1.9
155.08514	1.1
155.10638	2.3
156.09343	1.8
157.10129	11.6
158.10878	1.4
159.11662	8.8
161.09560	2.7
161.13228	7.4
163.11157	1.0
163.14790	9.6
165.12767	2.0
169.10065	2.5
170.10764	1.2
171.11655	6.5
173.09601	1.6
173.10065	1.4
173.11711	17.6
173.13254	7.1
175.11189	7.9
175.14807	9.4
177.12712	2.0
177.16365	11.4
181.10100	1.0
183.11658	2.2
185.09529	1.1
185.13275	4.9
187.11197	1.6
187.14796	9.1
189.12682	3.0
189.16344	12.5
191.14284	2.2
191.17934	3.5
193.12216	30.0
193.15862	1.8
195.11673	1.0
197.13179	2.4
199.11176	2.0
199.14787	3.6
201.12689	1.6
201.16319	6.6
203.14287	2.4
203.17953	5.3
205.12180	1.5
205.19461	1.1
207.17381	10.3
209.13217	1.6
211.13232	37.8
213.12701	1.7
213.16350	3.0
215.14249	2.2
215.17897	1.2
217.12189	21.8
217.15645	1.2
217.19482	1.7
219.13797	1.3
223.14952	1.1
227.17912	1.7
229.14342	3.1
229.19429	1.3
231.13693	1.5
233.15363	1.5
235.13242	1.1
239.17952	1.3
241.16017	1.0
243.17505	1.5
245.15509	1.1
247.16998	1.0
249.14793	1.8
249.18562	2.2
250.77470	0.9
252.51216	0.9
267.15796	4.4
275.16385	1.4
295.24130	2.7
343.22577	1.0
346.89206	0.9
391.29935	1.0
393.31476	2.1
403.29987	3.0
421.25745	5.0
421.30887	9.4
421.35156	0.8
439.26767	89.0
439.32089	41.3
440.27170	3.6
440.32455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15448	0.6
51.02814	0.6
53.03931	2.6
53.05077	0.6
55.01863	1.7
55.05490	2.6
57.03426	5.4
61.02637	0.8
61.02901	4.2
67.05476	0.8
69.03421	42.2
70.06578	1.1
71.04973	2.8
71.17072	0.8
71.17439	1.4
73.02902	1.7
81.03404	17.2
83.04960	9.1
84.08130	1.2
85.02892	37.1
87.04447	4.4
91.03944	1.3
91.05456	1.2
95.01315	48.7
95.04948	0.6
97.02885	7.5
98.18015	0.6
99.04447	6.7
103.03906	1.5
109.02119	0.9
109.02866	15.2
110.07137	0.8
111.04415	8.0
112.07613	0.7
113.02350	100.0
121.10095	0.8
123.04429	1.0
127.03890	18.1
129.05464	14.3
131.01875	0.7
136.07581	0.9
137.54561	0.7
145.04938	2.5
147.04453	1.6
147.06516	9.2
155.03467	0.9
163.03918	1.5
165.07571	10.4
173.02982	0.7
177.05440	1.3
183.08624	22.5
184.41309	0.6
221.04491	2.5
239.05486	11.4
257.06522	14.6
257.09006	1.1
287.05618	0.9
439.15039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2293
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.03922	0.3
53.50927	0.3
69.03413	0.6
69.07041	1.0
70.93702	1.1
79.05476	0.5
81.03400	0.9
81.07036	0.8
85.02884	1.0
93.07024	0.8
95.01080	0.5
95.04922	0.4
95.08603	0.8
96.01855	0.5
96.36593	0.3
96.53796	0.3
97.02702	0.5
97.06497	0.4
105.03366	1.9
105.07014	0.6
106.03711	0.9
107.08575	0.8
109.02848	0.7
109.10115	1.0
110.14207	0.5
111.11713	0.4
113.02168	0.5
119.08556	0.8
121.02833	2.8
121.10139	0.5
123.04403	0.7
127.03876	0.8
131.39308	0.3
133.10101	0.5
139.03815	0.5
141.05225	0.4
145.10036	0.5
147.04390	0.8
147.11571	0.5
157.04753	0.3
163.11154	0.4
169.04669	0.8
185.04143	0.3
186.05098	0.4
203.05261	1.3
253.08420	0.3
259.16614	1.6
275.78259	0.4
277.15002	0.4
277.17706	2.4
367.17178	0.5
369.18750	6.4
370.18799	0.4
439.22952	100.0
440.23239	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	439.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71653	0.1
55.01866	0.1
57.03415	0.2
67.01854	0.2
67.05478	0.3
68.99787	0.3
69.03411	0.6
69.68024	0.8
70.06561	0.3
73.02892	0.1
79.05483	0.3
81.03402	0.3
81.07043	0.3
83.04945	0.3
85.02883	0.4
85.06519	0.2
86.09712	0.1
88.74902	0.1
91.05460	0.4
93.07027	0.4
95.04969	0.1
95.08574	0.2
97.02853	0.2
97.93546	0.1
105.07001	0.3
107.04941	0.2
107.08558	0.3
109.02884	0.3
109.06452	0.2
109.10116	0.3
111.04443	0.1
117.06965	0.2
119.08539	0.1
121.06506	0.3
121.10139	0.4
122.07115	0.3
125.05950	0.6
127.03866	0.2
133.06528	0.1
133.10129	0.2
135.08029	1.2
136.07542	0.4
137.05971	0.1
145.06464	0.4
145.09970	0.1
147.04367	0.3
148.05180	0.1
149.06041	0.2
149.09578	0.4
151.03871	5.5
158.63281	0.1
160.73288	0.1
161.04613	0.2
161.05946	2.1
162.06380	0.1
163.03920	0.3
163.07510	0.4
164.07053	0.7
167.07053	0.1
173.05992	0.2
176.04665	0.5
189.05424	0.2
190.06215	3.8
191.07002	4.9
193.04953	3.1
213.12418	0.2
217.04950	2.9
218.05243	0.1
235.05972	100.0
236.06313	3.2
282.09756	0.3
291.35828	0.1
435.47067	0.1
439.16107	1.5
439.25540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.3
55.01858	4.5
55.05500	19.7
57.03416	7.4
67.05495	60.8
68.05832	4.7
69.03432	3.3
69.07053	20.2
70.08012	2.7
71.04958	4.7
71.14167	7.6
74.86684	3.1
79.05482	26.8
79.85683	2.9
81.03406	11.3
81.07044	47.2
82.07355	3.2
83.04973	8.3
83.08615	7.9
85.02880	11.8
85.06548	5.9
86.09653	4.6
91.05464	26.1
93.07022	46.4
94.07348	3.5
95.04948	13.1
95.08595	39.1
97.06518	15.6
103.05434	3.0
105.07018	44.2
107.04948	7.6
107.08578	45.1
108.08894	4.8
109.06502	6.5
109.09441	4.6
109.10143	53.4
110.10429	5.1
111.08064	6.6
115.05430	3.4
117.06982	9.6
119.08546	40.3
121.06493	6.5
121.10122	28.0
123.04381	6.5
123.08032	13.6
123.11707	5.4
125.09545	4.3
128.06229	7.1
129.06978	20.8
131.08534	32.5
133.10097	34.1
135.08009	6.2
135.11665	19.0
137.09575	8.1
141.06960	4.7
142.07735	11.0
143.08508	29.1
144.09290	3.2
145.10085	36.1
147.04391	5.3
147.08014	7.7
147.11659	27.7
149.02345	3.7
149.09615	6.8
149.13264	17.7
151.11098	6.3
154.07739	4.7
155.08527	35.6
156.09293	7.9
157.10103	52.9
159.11665	37.0
161.09579	8.4
161.13252	8.5
163.03943	3.8
163.11159	7.4
165.09111	3.8
165.12796	5.3
167.08490	3.8
169.10106	22.9
171.11681	29.5
173.09615	6.0
173.11707	7.7
173.13232	21.1
175.11157	6.7
175.14752	5.8
177.12727	7.0
181.10085	8.5
183.11705	21.7
184.07300	7.9
184.12154	3.1
185.09624	5.1
185.13217	17.0
187.11154	7.1
187.14827	13.7
189.12744	5.4
191.03365	19.0
193.10110	3.3
193.12204	7.3
195.11613	8.2
197.13242	18.8
199.14787	12.3
201.09134	4.9
201.16344	3.8
203.10628	5.3
203.14151	6.1
209.13264	12.6
211.14835	6.1
213.12772	3.0
213.16258	7.4
213.81975	3.0
215.10565	4.0
215.14291	4.6
217.12157	7.2
219.10081	3.6
223.14832	16.1
225.12703	4.8
225.16359	25.0
226.16992	4.8
229.12193	8.8
231.13843	8.5
232.13359	3.4
237.16344	12.4
241.15829	4.2
241.19344	3.7
243.13724	8.2
245.15405	4.7
251.17950	11.8
255.13742	6.4
267.15820	3.6
269.15341	5.0
269.18829	5.2
279.21014	40.9
281.22583	6.6
283.16748	3.2
297.18710	3.4
297.22061	95.9
299.23502	5.9
307.20593	14.9
315.23169	33.7
325.21542	97.9
326.21762	5.5
343.22617	100.0
344.23029	4.3
361.23636	13.0
438.28281	53.2
438.34894	3.6
439.26764	20.9
439.32407	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	438.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.05488	1.1
57.03416	1.5
58.19966	0.7
62.06067	1.6
65.03914	0.9
67.00924	0.6
67.05493	3.2
69.03406	7.7
69.07052	1.6
70.06572	1.2
71.04968	1.7
71.62420	0.8
73.02883	2.2
74.06045	1.3
79.05473	1.6
81.03390	2.5
81.07040	3.5
83.04951	1.4
83.08594	5.3
85.02886	3.9
85.06521	1.1
86.03205	0.8
86.09657	0.8
88.81581	0.6
90.03952	0.6
91.05460	3.7
93.07023	3.5
95.04930	2.6
95.08598	5.9
97.02268	1.2
97.02868	16.8
97.06482	2.0
99.04425	2.0
105.03365	2.0
105.06979	2.9
106.02872	2.2
107.04906	2.1
107.08569	9.0
109.02863	1.7
109.06474	2.6
109.10148	2.1
110.06010	9.0
111.04425	1.3
111.08040	2.0
117.07004	0.8
119.08521	2.8
121.02819	1.2
121.06441	0.9
121.10126	4.6
123.04451	3.2
123.08053	5.8
124.03908	3.4
124.04704	1.5
125.05952	1.7
125.09616	7.9
127.03919	1.0
133.10101	1.2
135.08008	0.8
135.11690	4.6
137.05898	1.1
137.09563	2.2
138.05469	12.7
139.03873	0.9
139.11142	2.1
145.04945	0.8
145.10100	2.7
147.04378	1.2
147.08043	1.7
151.03860	1.2
153.12694	2.0
154.08545	0.8
156.06471	3.5
159.11719	1.6
163.11139	5.1
165.09081	7.3
167.06970	1.2
177.12694	1.0
181.12184	19.1
183.06461	0.8
197.11702	0.8
201.24831	0.6
205.12231	4.7
223.13245	100.0
224.13625	2.2
231.48532	0.6
235.05962	3.9
241.07117	0.8
241.14275	6.5
249.11183	1.8
250.07103	0.9
258.20663	0.8
259.15271	1.3
268.08203	1.3
270.07269	0.8
276.12363	2.0
282.09601	0.6
297.07819	0.8
317.08420	9.4
438.12521	1.3
439.12024	21.7
439.18033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.1
55.01857	3.0
55.05491	10.5
56.96549	7.0
57.03419	4.1
57.06021	1.7
57.07050	3.4
61.02898	6.9
67.05495	27.0
69.03409	6.8
69.07059	8.5
70.22796	1.7
71.04976	2.8
71.11266	1.5
71.62390	1.5
71.62856	3.4
73.02885	2.9
77.07289	1.6
79.05480	17.0
81.03412	10.2
81.07047	37.1
83.04964	4.8
83.08591	7.3
85.02895	13.5
85.06529	14.6
91.03928	3.6
91.05473	25.6
93.07032	30.8
94.07341	2.1
95.04964	8.8
95.08033	2.8
95.08595	38.1
96.08972	2.3
97.02857	9.2
97.06503	7.0
97.10115	2.8
99.04407	1.9
99.08071	10.3
102.26472	1.8
105.06367	3.1
105.07018	36.8
107.04951	2.5
107.08582	31.2
109.06495	5.6
109.10140	33.5
110.10442	2.8
111.08041	7.0
113.09688	1.9
115.05386	2.0
117.07018	10.5
119.08567	30.4
121.06470	3.9
121.10122	27.1
123.04455	3.4
123.08047	7.3
123.11668	7.4
125.09580	5.5
127.03895	4.9
128.06160	1.9
129.06984	17.3
131.08559	29.7
133.06450	2.3
133.10110	32.4
135.08020	3.2
135.11690	15.2
137.02292	5.7
137.05951	16.0
137.09576	2.4
137.13223	2.3
141.07002	5.2
142.07771	8.3
143.08533	24.9
144.09322	3.7
145.04936	2.5
145.10103	28.6
146.10458	2.0
146.99596	1.7
147.04405	2.9
147.08026	2.8
147.11644	24.5
149.09607	5.3
149.13222	7.4
151.11168	4.4
154.07707	1.9
155.08528	28.5
156.09227	4.0
157.10112	45.5
159.11667	29.6
161.09659	2.4
161.13222	12.7
163.03838	2.4
163.11180	3.3
165.09135	2.6
165.12727	3.7
167.08531	3.7
169.10120	19.8
170.10916	2.2
171.03230	3.4
171.11644	25.4
173.09581	6.5
173.13228	18.0
175.11105	7.5
175.14796	4.0
181.10092	5.8
183.11659	20.6
185.04796	3.8
185.09593	2.9
185.13264	18.1
187.11163	3.4
187.14786	6.7
189.12746	3.4
191.03378	3.5
193.12242	6.4
195.10106	2.2
195.11601	10.3
197.13210	15.2
198.13670	2.1
199.11256	1.8
199.14757	8.4
201.09090	3.5
201.12682	5.0
201.16393	2.2
203.05774	3.0
203.10497	3.6
203.14207	3.9
205.12173	2.1
209.13263	9.0
211.11292	2.6
211.12982	8.9
211.14877	6.2
213.12650	2.1
213.16290	3.4
215.10712	1.9
215.14232	3.4
217.12160	5.9
217.15672	1.8
219.13768	2.0
223.14856	10.7
225.12697	3.0
225.16316	10.0
226.17107	4.5
227.14159	3.2
229.12164	4.8
231.13762	3.4
237.16345	3.7
239.17940	2.6
241.15845	2.7
243.08731	3.0
243.13736	6.7
249.07964	2.4
249.16451	2.3
251.17926	6.9
255.13771	3.3
259.20419	6.3
261.14853	1.9
267.08981	24.7
268.09366	2.2
268.11954	2.1
269.15323	4.4
269.18970	4.0
269.22565	2.7
279.21030	37.0
281.22534	7.2
285.10034	48.3
285.16876	4.6
286.10434	5.0
290.10690	2.1
297.18857	1.9
297.22064	50.0
299.23645	4.0
307.20422	13.1
308.11841	3.8
314.12451	4.3
315.23154	25.7
324.11435	18.8
324.61539	4.0
325.21555	100.0
326.21991	4.0
343.22617	90.3
344.22971	3.9
357.15579	2.2
361.23602	13.6
393.31311	2.3
438.18680	4.0
438.22104	2.5
438.28415	33.5
438.68411	2.8
439.22275	13.3
439.27362	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	438.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03413	1.6
67.05489	1.2
69.03425	1.7
69.07042	1.7
70.06607	2.2
70.87978	2.0
71.04975	1.1
73.02905	3.4
74.06064	2.8
79.05491	1.3
81.03384	2.0
81.07040	2.9
85.02869	2.4
85.06537	1.7
86.09676	1.7
91.05476	2.7
93.07044	3.1
95.04952	1.4
95.08602	2.9
97.02865	1.6
99.04393	1.9
105.07017	2.8
107.04910	1.0
107.08566	1.5
109.02887	1.4
109.10143	2.6
112.07595	2.3
115.05452	1.4
116.07079	1.4
119.08549	2.1
121.02851	4.0
121.10122	2.8
124.07607	1.2
125.09581	2.0
127.03902	2.8
128.06192	1.6
129.06995	5.1
130.08585	1.3
131.08542	6.4
133.06383	1.3
133.10123	1.9
135.11708	1.7
138.09146	7.5
140.07014	1.0
141.07007	2.0
141.30698	1.2
144.05609	1.7
144.06610	2.1
145.06480	2.5
147.04376	3.2
147.08003	1.7
156.10182	13.8
157.06483	3.0
159.08035	11.4
161.05968	1.6
161.09558	2.3
163.03833	1.1
170.07224	2.5
171.07971	2.2
173.06018	1.6
175.14532	1.4
177.05492	1.4
187.07471	8.2
189.05408	1.2
189.09094	4.1
192.03719	1.2
199.07472	1.9
202.10712	4.6
203.07016	1.5
204.07825	3.7
216.07834	1.3
219.10078	2.9
221.11607	1.8
223.16864	1.6
231.10161	3.6
237.11104	1.1
241.17929	1.8
249.11186	100.0
250.11537	2.5
258.11255	4.2
259.19028	1.4
262.12958	1.5
267.12329	1.8
276.12265	4.1
303.04974	1.9
304.05255	5.3
305.05450	5.5
306.05783	11.7
328.13873	3.5
344.08044	1.1
364.15677	1.3
397.99606	1.6
438.14172	5.7
439.15067	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.05513	0.5
56.37896	0.4
57.03446	0.6
62.60030	0.4
65.03931	2.2
67.05488	1.1
68.99780	0.4
69.03426	1.6
69.07059	1.4
70.75876	0.9
70.76274	0.7
71.04987	0.7
73.02905	0.6
79.05488	0.8
79.58541	0.4
80.05037	0.4
80.05789	0.4
81.03394	2.7
81.07027	0.9
82.06590	0.7
82.95267	0.4
83.08642	0.6
85.02882	3.8
86.09756	0.4
91.05464	1.3
93.07030	1.5
94.06521	0.6
95.04961	1.7
95.08595	2.4
96.04465	2.5
96.08120	1.7
97.02886	1.8
97.05253	1.8
97.06501	1.0
99.04435	0.8
99.08076	0.5
100.07629	0.8
105.07002	1.2
107.04884	0.7
107.08562	0.4
109.02853	1.7
109.10127	1.2
110.06011	4.7
110.09675	3.0
111.04420	1.7
111.08040	1.1
115.03961	0.5
119.04922	2.3
119.77217	0.4
120.05238	1.5
121.02844	58.3
121.06467	0.9
121.10136	0.7
122.03177	1.1
123.04399	1.8
124.04717	1.0
124.07542	0.5
125.08320	0.5
126.09128	6.1
127.03905	0.7
133.10091	0.8
136.07455	0.5
137.13210	0.7
138.09111	15.8
139.03894	2.5
139.07516	0.8
139.11021	0.5
143.74899	0.4
145.05022	0.6
147.04379	9.2
147.05493	0.6
148.04706	6.6
149.04941	2.8
150.05208	0.9
152.10643	0.9
153.01799	13.1
154.00967	0.8
154.02136	8.9
155.02277	7.8
156.02621	2.6
156.10168	100.0
157.10564	2.2
161.09622	0.8
163.03925	0.8
168.10150	1.4
172.03200	0.5
180.10170	1.5
184.07361	1.0
186.35736	0.5
191.03372	3.3
192.03717	2.1
198.11218	2.2
213.18324	0.7
222.11200	0.6
231.06412	1.1
232.06783	2.8
233.07001	2.1
234.07248	2.0
246.11247	0.9
264.12164	1.4
265.07123	2.9
273.07516	7.4
274.07861	22.7
275.08099	15.3
276.08359	20.9
276.11826	0.7
277.08603	0.6
283.08014	1.7
286.07758	0.6
318.15448	8.0
343.08160	0.5
344.08435	1.6
438.17520	11.9
439.17654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.6
55.01850	0.8
57.03423	1.0
57.07057	0.4
58.69470	0.5
67.05502	1.0
69.03419	2.6
70.06588	0.6
70.21387	1.1
70.21784	0.8
71.04954	0.7
73.53442	0.5
74.09709	0.5
78.04679	0.7
79.05472	1.4
81.03394	2.0
81.07023	0.6
83.04969	0.8
84.04476	0.5
84.08114	0.8
85.02889	4.5
90.05542	0.6
93.07018	0.5
95.01282	0.5
95.04935	1.3
95.08617	0.6
97.02876	1.9
99.04440	0.9
103.46940	0.5
105.07038	0.7
106.04137	0.6
107.04942	0.8
109.02860	2.2
109.06538	0.7
111.04470	0.7
111.08059	0.6
121.02835	2.0
121.06503	0.8
121.10180	0.6
123.04426	4.2
123.08041	0.5
124.05164	0.9
124.07535	0.6
125.05995	0.5
125.09612	0.6
126.01048	0.8
127.03905	2.0
127.07539	0.8
129.05504	0.8
134.03593	1.4
135.04375	0.7
135.08047	0.6
136.07555	0.7
138.03075	1.6
138.05431	0.6
139.03740	0.5
140.04660	3.2
141.05432	1.2
144.02090	1.1
147.04404	1.2
150.05464	1.5
151.03867	1.0
152.04626	1.6
155.03368	0.7
155.07008	6.1
161.09619	0.5
163.03828	0.7
164.08449	0.5
165.05469	0.6
167.07018	100.0
168.07336	1.3
170.05725	19.1
177.05443	1.1
181.08551	5.2
182.08018	0.9
183.06473	1.8
184.09673	0.7
185.08063	2.2
192.07808	1.8
195.10313	0.7
202.10757	1.4
213.74957	0.5
223.09752	2.3
223.13312	1.1
229.13034	0.8
241.10677	17.2
241.14406	0.8
258.13214	1.2
259.11749	17.3
275.13983	0.6
276.08905	0.6
276.14529	0.9
277.11783	0.6
301.95227	0.5
306.07230	0.7
328.13721	1.5
348.63348	0.5
391.79816	0.6
438.19626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.1
53.03940	4.8
55.05494	1.2
57.03426	1.7
67.05486	3.6
69.03411	8.3
69.07064	1.5
69.41466	3.4
69.41895	3.9
71.04974	2.9
73.36918	0.7
77.03923	1.1
79.05484	4.7
79.59366	0.8
81.03406	18.4
81.07057	5.4
85.02881	6.2
91.05454	3.0
93.07010	2.5
95.04938	5.8
95.08591	4.4
96.08936	0.9
97.02880	12.3
97.06500	1.5
99.04427	3.9
99.08086	1.1
105.03373	100.0
105.06973	1.6
106.03716	1.3
107.04911	0.8
107.08581	2.9
109.02865	14.0
109.10143	7.9
111.04491	1.1
111.11781	0.8
119.04901	1.4
119.08549	2.6
121.02837	1.6
121.06594	0.8
121.10139	2.2
123.04410	10.2
123.08064	0.7
123.11673	1.5
124.04736	1.2
125.09598	1.0
127.03886	12.9
133.10086	1.8
135.11691	1.5
137.05956	17.0
137.09593	12.6
139.03891	0.9
139.11197	1.0
143.08659	0.9
145.02774	1.1
145.04945	3.6
147.04399	4.5
147.11720	1.1
153.12733	1.8
155.10692	1.1
155.14336	1.2
159.11679	0.8
163.14894	0.9
165.09070	12.3
167.07121	0.9
181.04875	0.8
182.05252	1.3
183.10124	0.8
184.07344	0.7
187.14940	0.9
191.03322	2.7
192.03722	1.9
201.11108	1.4
223.16959	1.8
226.82835	0.8
241.17938	2.1
249.07552	42.9
250.07867	1.0
259.19098	0.9
267.08591	17.0
268.68890	0.8
274.07745	0.9
285.07407	1.3
291.12161	1.1
309.13229	8.5
310.88098	0.9
318.06955	1.0
327.14484	2.8
392.53143	0.9
438.20496	1.1
438.30243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57707	1.0
55.05507	5.9
57.07050	4.3
62.02290	1.0
66.57552	1.0
67.05489	11.6
69.07058	13.7
70.21664	2.4
70.22074	3.8
71.08614	1.2
79.05472	6.4
81.07041	38.9
83.08605	5.0
91.05443	6.5
91.39057	1.3
93.07024	14.4
95.08591	57.7
97.10141	2.8
97.54081	1.3
98.47943	1.1
105.07006	16.2
107.08573	21.3
109.10139	24.5
117.07037	1.7
119.08561	33.6
121.10123	18.0
123.11696	12.7
129.06984	1.6
131.08533	7.7
133.10098	17.3
134.10426	1.5
135.11659	10.1
137.13248	10.1
143.08525	5.5
144.50685	1.1
145.10080	27.0
147.11674	12.3
149.13260	9.9
151.14819	8.0
153.09065	1.9
157.10077	5.7
159.11667	15.3
161.13249	11.3
163.07559	2.6
163.14835	8.3
169.10110	3.3
171.11652	11.5
173.13234	12.8
175.14806	26.6
177.09024	2.1
177.16400	7.2
183.11731	3.6
185.13266	4.4
187.14780	6.7
189.16345	15.6
191.17906	10.8
195.11653	1.1
197.13243	3.2
199.14729	6.5
201.16338	19.6
203.17917	13.5
205.19464	1.5
211.14793	3.6
213.16328	7.6
215.17896	8.3
217.12256	1.8
217.19571	7.0
221.15314	2.7
225.16331	2.8
227.17924	4.5
229.19431	4.1
231.17418	1.5
239.17845	8.2
241.19466	16.1
243.21063	5.0
245.15367	1.8
247.16899	7.1
253.19550	4.3
255.21115	3.2
259.16922	4.6
259.20535	2.4
267.20990	4.5
269.22620	1.9
273.18411	1.5
281.22604	2.4
285.18466	11.4
287.20001	4.8
290.71082	1.4
295.24115	4.8
299.19998	5.9
301.21683	1.4
313.21664	3.6
315.22992	1.7
335.27322	4.9
349.28967	1.9
353.24567	1.6
391.33466	18.9
419.34558	1.5
437.34100	100.0
438.34482	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	437.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	5.4
57.07058	5.2
58.71643	1.1
60.94733	1.0
67.05497	10.5
69.07063	10.0
69.26786	2.0
69.27189	10.9
73.17589	1.0
75.88934	1.1
79.05483	5.2
80.53246	1.0
81.07044	18.6
83.08604	8.3
91.05482	6.9
93.07025	14.7
95.08592	43.6
97.10162	3.2
98.20739	1.9
105.07014	19.9
107.04888	1.0
107.08581	27.6
109.10141	46.5
111.11694	1.4
115.76630	1.2
117.07001	3.2
119.08561	43.9
121.10128	25.6
121.10989	1.4
123.11684	11.0
129.06990	1.3
131.08530	11.2
133.10112	34.8
133.11073	2.3
134.10420	2.0
135.11674	7.6
137.13237	3.3
143.08551	5.7
145.10109	21.0
147.11673	19.7
147.25383	1.3
148.12190	1.2
149.13222	5.7
151.14757	2.0
153.09064	2.7
155.08551	6.8
157.10132	6.1
158.10846	1.3
159.11671	22.3
160.12265	1.8
161.13245	14.1
163.14793	12.7
165.16367	2.0
169.10161	3.4
171.11641	5.3
173.09593	1.4
173.13213	12.9
175.14793	16.3
175.16217	1.2
177.09090	1.2
177.16368	16.7
179.17996	1.6
183.11732	2.6
185.13268	3.7
187.14787	10.2
189.16360	35.0
191.17924	9.4
193.15840	1.4
197.13281	2.4
199.14812	4.2
201.16348	39.6
202.16791	1.6
203.17920	35.2
204.18109	1.6
205.19469	2.9
211.14787	2.9
213.16316	5.7
215.17908	17.8
217.19505	4.3
219.13847	1.3
221.15269	1.4
225.16318	6.4
227.17865	6.5
229.19432	5.8
231.17418	2.1
233.15421	1.8
235.16965	2.5
239.17900	6.6
241.19530	4.1
243.21101	3.5
247.16840	5.3
249.18510	3.1
253.19403	5.1
255.21153	4.1
259.16910	3.4
261.18576	1.6
262.10822	1.2
267.21085	4.2
271.16962	3.4
273.18546	2.3
281.22693	2.6
283.24139	2.9
285.18460	7.5
295.24164	3.3
299.20041	4.5
307.23947	1.2
313.21609	2.2
321.25610	1.7
325.21429	1.4
327.23242	1.9
329.24603	3.2
341.24716	3.3
343.26111	2.6
353.24802	2.5
367.26440	1.3
391.33545	19.0
392.34036	2.0
395.29532	1.5
409.60544	1.2
419.33234	2.3
437.34119	100.0
438.34500	6.0
452.97458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43844	1.2
53.03938	1.6
55.05504	8.5
57.07058	3.7
67.05502	13.6
69.07055	16.0
71.08612	1.4
79.05463	5.4
81.07047	33.0
83.08588	5.8
85.10213	1.0
91.05460	6.6
93.07038	13.2
95.08592	63.2
97.10155	3.2
105.07014	16.1
107.08575	20.9
109.10149	25.3
111.11684	1.2
117.06998	2.5
119.08562	29.5
121.10139	18.5
123.11703	12.9
129.06996	3.0
131.08568	9.0
133.10109	12.8
135.11691	9.8
137.13235	10.3
142.07835	1.1
143.08525	5.6
145.10097	23.5
147.11668	12.9
149.13248	11.4
151.14803	7.5
153.09064	1.3
155.08568	2.7
157.10048	5.9
159.11662	11.1
161.13242	12.6
163.07559	1.2
163.14801	10.0
169.10150	4.5
171.11647	11.8
173.13240	13.3
175.14793	18.2
177.16351	5.6
179.17851	1.2
183.11703	2.8
185.13200	5.6
187.14821	4.8
189.16341	10.8
191.17918	9.8
195.11600	1.7
197.13295	2.7
199.14784	6.1
199.27480	1.3
201.16373	18.3
203.10677	1.5
203.17917	12.0
209.13361	2.2
209.15352	1.1
211.14832	3.6
213.16353	7.3
215.17915	10.3
217.12241	1.4
217.19548	5.2
221.15358	3.1
225.16364	4.3
227.17920	3.3
229.19530	4.0
233.15440	1.4
239.17915	9.5
241.19473	19.1
243.21095	4.9
245.15292	3.1
247.16986	5.2
249.18459	1.6
251.17949	1.3
253.19461	6.0
255.21091	3.8
259.17035	3.9
259.20557	3.1
261.18542	2.1
265.19547	2.6
267.21060	3.8
269.22568	1.8
271.16864	2.1
273.18347	2.6
279.21030	1.5
281.22598	2.3
285.18512	10.8
287.20087	5.3
295.24301	2.7
299.20047	4.9
301.21783	1.5
307.24112	1.9
313.21558	3.3
321.25751	1.8
335.27310	4.1
339.23322	1.6
353.24786	1.6
367.26193	1.2
381.27829	2.0
391.33481	20.2
395.29501	1.6
419.33231	2.0
437.34174	100.0
438.34479	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	437.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
55.05502	7.0
56.10023	0.7
57.07040	2.8
57.64730	0.8
58.63829	0.7
65.03904	1.0
67.05490	8.9
68.27338	0.8
69.07053	9.3
71.08599	0.7
77.03895	0.7
79.05485	4.8
81.07044	19.5
83.08610	5.9
91.05450	6.2
93.06477	1.0
93.07029	15.5
95.08591	32.6
97.10115	3.0
105.07012	21.6
107.08578	25.9
109.06483	0.8
109.10134	18.1
109.10860	0.7
111.08051	1.0
117.00134	0.8
117.06993	3.6
119.08560	43.2
121.09314	1.3
121.10125	21.2
123.07999	0.8
123.11703	9.0
125.09623	1.1
127.83671	0.6
129.06955	1.7
131.08554	10.1
133.10109	33.7
135.11671	8.8
137.13234	1.6
139.07523	1.1
143.08525	2.6
143.43195	0.8
144.09277	1.0
144.33528	0.7
145.10101	23.5
145.11258	1.1
146.10797	0.8
147.11662	23.0
149.13213	6.9
151.07417	0.7
153.09082	4.7
155.08427	0.7
157.10088	4.3
158.10826	1.5
159.11662	26.7
160.12350	1.0
161.13240	22.5
161.14586	1.3
163.07542	1.1
163.14780	5.3
165.09142	1.3
165.16357	0.8
167.10638	2.3
169.10069	1.1
171.11635	3.8
172.12447	1.2
173.13231	14.4
174.13983	1.2
175.14806	16.9
177.08875	0.9
177.16357	17.5
179.10617	0.8
183.11693	1.4
185.13193	6.7
187.14807	23.7
189.16347	100.0
190.16722	3.4
191.17932	5.9
195.11566	1.0
196.06760	0.8
197.13290	1.5
199.14749	6.5
201.16347	31.5
203.17923	43.0
204.18193	1.5
205.15605	0.9
205.19466	6.9
207.13763	0.8
207.17413	1.1
209.13278	0.8
211.14793	1.2
213.16319	3.4
215.17935	14.6
217.16017	1.0
217.19449	3.4
221.15331	1.7
221.18909	1.0
223.16809	0.9
225.16524	1.4
227.17924	1.7
229.19414	2.8
231.17365	1.2
235.16972	1.7
239.17903	1.1
241.19482	1.0
243.21036	2.1
247.16901	9.2
249.18440	8.2
253.19563	1.4
255.20978	0.7
261.18533	3.3
267.21011	0.8
281.22549	0.8
285.18280	1.0
295.24222	3.0
301.21542	0.9
303.58578	0.8
315.23203	1.2
349.28839	3.1
391.33606	11.1
394.28616	1.0
395.29413	5.7
397.02856	0.8
437.34131	75.3
438.34589	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
53.21110	0.9
55.05513	8.3
55.38324	0.7
57.07072	4.5
67.05497	15.9
69.07063	12.2
69.96095	5.0
70.94202	0.9
71.08619	0.9
79.05485	9.1
80.74515	0.9
81.06567	1.9
81.07047	35.9
82.07387	1.0
83.08614	6.8
91.05455	11.2
93.07034	28.0
93.07616	1.7
93.53299	0.9
94.26070	0.8
95.04980	2.4
95.08593	57.3
96.22250	0.9
97.06577	1.0
97.10174	2.9
105.07016	25.8
107.08585	43.1
109.06522	1.4
109.10147	26.6
117.07030	3.5
119.08566	45.2
120.08897	1.0
121.06557	1.6
121.10129	26.2
123.08127	1.4
123.11683	14.8
129.07033	2.5
131.08580	11.9
132.08861	1.0
133.10107	30.0
133.11052	1.8
135.08101	1.4
135.11673	15.4
136.11903	0.9
137.09694	0.8
137.13242	6.3
141.07062	1.0
142.07767	2.1
143.08548	6.8
144.09348	1.4
145.10109	33.7
145.11281	1.6
147.11665	22.4
147.12750	1.6
149.09636	1.0
149.13234	27.4
149.33440	1.0
151.14795	4.3
153.09146	2.3
155.08623	2.3
156.09305	2.0
157.10121	10.1
158.10899	1.6
159.11678	23.8
160.12209	1.5
161.09650	1.3
161.13237	14.5
163.07591	3.6
163.14825	9.3
169.10133	5.0
171.11679	12.8
173.13246	14.9
175.11166	1.3
175.14804	18.8
175.16199	1.1
177.09167	2.7
177.16356	10.1
179.10672	1.2
182.10716	0.9
183.11674	5.1
185.13234	7.9
187.11226	1.2
187.14799	12.1
188.15208	0.9
189.12675	1.1
189.16359	27.9
191.17952	10.8
193.12256	1.2
195.11725	1.5
196.12659	1.0
197.13223	4.2
199.11276	0.8
199.14838	5.3
201.12637	0.9
201.16350	26.8
201.18234	1.5
203.17929	30.7
205.19530	2.3
211.14850	3.6
213.16379	6.5
215.14508	1.3
215.17914	11.3
217.12181	0.9
217.19438	4.4
219.13908	1.3
219.17593	1.2
221.15395	1.8
223.14949	1.3
225.16420	3.3
227.17970	3.5
229.15970	2.9
229.19394	5.3
229.21660	1.0
231.17516	0.9
231.21112	1.1
233.15437	3.3
233.18924	1.0
237.16400	2.0
239.17859	5.1
241.19441	9.2
243.21054	6.1
245.15387	1.6
247.16919	13.8
251.17926	1.5
253.17076	1.1
253.19377	4.6
255.21219	4.3
259.16937	2.9
259.20648	1.5
261.18597	2.3
267.21194	3.3
269.19214	1.4
269.22662	2.4
273.18613	0.9
279.21146	1.1
281.22531	1.6
283.24146	1.2
285.18427	4.2
287.20126	3.9
293.22787	1.5
295.24127	6.3
299.20071	6.8
301.21680	3.9
307.24057	1.1
313.21756	2.6
315.23254	1.8
321.25827	3.0
339.23438	1.0
341.21127	1.9
353.24731	1.3
381.27890	1.6
391.33643	18.2
419.28879	1.2
419.33859	1.6
437.34232	100.0
438.34714	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	437.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
52.79628	1.1
53.03942	1.9
55.01860	1.5
55.05502	15.2
56.34078	1.3
57.03431	1.7
57.07061	6.5
65.03927	1.5
67.05500	23.8
69.07057	26.3
71.04968	2.0
71.08609	3.1
78.98722	1.3
79.05480	15.7
81.07048	49.3
83.08617	15.8
85.06507	1.4
91.05466	17.5
93.07036	37.3
95.04970	4.3
95.08594	83.5
96.08909	1.9
97.06502	1.3
97.10162	5.9
100.20357	1.1
105.07020	44.1
106.07343	1.8
107.08582	52.7
109.06517	3.9
109.10145	58.5
111.08083	3.8
111.11678	2.9
115.84709	1.4
117.06998	8.8
119.08569	64.6
121.10126	43.2
123.11694	26.3
129.07024	4.5
131.08553	16.8
133.10112	45.3
135.07988	1.7
135.11670	20.0
137.09625	1.5
137.13251	13.4
139.07558	1.7
142.07739	1.8
143.08533	9.2
144.09314	1.5
145.10112	32.2
147.11681	32.5
147.12775	2.3
149.09653	3.5
149.13242	17.4
151.14806	10.6
153.09099	2.7
155.08565	4.5
157.10095	9.5
159.08028	1.6
159.11687	23.4
160.12389	1.8
161.13246	19.5
163.07657	1.5
163.14815	12.8
165.16382	1.9
169.10144	7.5
171.11667	17.6
173.13249	18.8
175.14815	30.2
177.16380	16.6
179.10680	2.7
179.17966	4.3
181.10101	1.9
182.11049	1.8
183.11681	5.8
184.07301	2.1
185.09596	1.5
185.13263	12.7
187.14790	27.0
188.15253	1.3
189.16373	28.0
191.17926	16.0
193.12283	1.3
193.15878	1.5
195.11890	1.4
197.13307	6.4
199.14801	11.2
201.16357	37.4
201.18225	2.0
202.16817	1.4
203.17921	57.8
204.18315	2.3
205.12280	2.4
205.19563	4.9
209.13229	1.7
211.14841	4.6
213.16315	12.6
215.17946	16.6
217.12300	1.7
217.19392	9.8
219.13835	2.3
221.15503	1.6
223.14763	2.4
225.16357	10.1
227.18008	5.8
229.15889	2.4
229.19519	4.8
229.31772	1.6
231.17523	1.3
231.20973	1.5
233.15375	4.4
237.16399	3.0
239.17888	16.6
241.19463	10.5
243.21123	4.5
245.15344	2.7
247.17000	6.7
253.19473	7.1
255.21071	5.0
259.16867	9.1
267.21133	4.4
271.16928	7.4
273.18542	3.3
281.19891	1.2
281.22476	6.5
285.18500	7.3
287.20151	2.9
295.24057	2.7
299.20041	5.3
307.24136	1.7
313.21698	2.4
327.23151	6.1
341.24741	6.1
353.24725	6.9
381.27820	2.4
391.33578	18.7
392.34271	1.4
419.35114	8.8
437.12390	3.8
437.34216	100.0
438.12823	2.0
438.34708	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	437.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.8
55.01862	2.9
55.05502	15.4
57.03433	2.5
57.07055	3.1
59.04989	2.5
65.03920	2.1
67.05495	57.3
69.03422	3.3
69.07056	9.3
69.47697	0.8
69.64282	7.0
71.04977	1.7
73.65253	0.8
75.44385	0.8
77.03952	1.1
79.05053	1.4
79.05483	17.6
81.03403	4.0
81.07046	34.0
83.01325	2.3
83.04960	5.3
83.08605	9.8
85.02903	1.6
85.06525	2.6
88.07605	0.9
91.05458	17.6
93.07033	25.4
95.04932	5.2
95.08593	34.3
97.02885	1.3
97.06498	5.4
97.10156	2.1
98.20793	1.9
99.04430	1.3
103.05460	1.5
105.07020	34.0
105.46169	0.9
106.13787	0.8
107.04935	3.6
107.08578	35.8
109.06511	11.1
109.10139	44.3
111.04398	1.1
111.08073	3.9
115.05428	2.3
117.07005	8.0
119.08564	61.2
120.08870	1.2
121.06490	12.7
121.10127	23.2
123.08054	11.0
123.11702	3.8
125.09635	2.2
127.07558	1.0
129.06993	3.4
130.07790	1.8
131.08557	17.8
133.06464	1.1
133.10112	32.5
135.08032	12.3
135.11676	13.1
137.09627	4.8
139.07545	1.3
140.70863	0.8
142.07770	3.4
143.08545	8.4
144.09291	1.7
145.06493	2.0
145.10106	38.3
145.11253	1.8
146.07254	1.1
146.10542	0.9
147.08035	12.1
147.11671	16.7
147.12781	1.5
149.02373	1.2
149.09648	4.7
149.13234	4.2
151.11221	1.2
153.09067	1.4
153.12665	1.0
155.08572	2.8
155.10646	1.5
156.09355	2.1
157.10117	10.0
158.10880	2.1
159.08061	3.4
159.11665	20.9
160.08853	1.2
161.09601	21.4
161.13251	15.6
162.10245	1.6
163.07555	1.5
163.11162	16.9
163.14818	6.3
169.10080	2.5
170.10945	1.8
171.11664	7.5
172.12408	1.4
173.09589	5.2
173.11732	10.7
173.13269	17.7
174.10422	1.1
174.13647	1.1
175.11191	18.4
175.14790	35.2
176.11958	2.0
177.12721	7.9
177.16376	9.0
181.10094	0.9
181.12215	2.5
182.10789	0.9
183.11684	3.3
185.09702	1.0
185.13217	9.6
187.11171	6.0
187.14793	26.3
187.16426	1.8
189.12740	22.3
189.16362	17.4
190.13300	1.0
191.14287	6.7
191.17955	1.4
193.04944	1.0
193.15781	1.5
195.11665	2.9
197.13274	4.4
199.11197	1.5
199.14761	7.6
201.12674	5.3
201.16359	29.3
201.18240	1.5
203.14291	32.2
203.17944	9.2
204.14685	1.0
205.15872	5.5
209.11629	3.5
209.13347	1.5
211.14926	2.5
213.12791	1.9
213.16362	4.0
215.14299	14.3
215.17941	2.8
217.15849	11.7
217.19492	1.6
221.13373	1.1
221.15334	3.8
225.16434	1.8
227.12646	7.2
227.14523	0.8
227.17953	3.2
229.15891	3.1
229.19461	1.6
231.20973	0.9
233.15321	1.6
239.17903	1.5
241.15863	1.9
241.19547	2.1
243.17426	2.7
247.16882	4.9
255.17667	1.1
295.20712	1.1
297.22177	2.7
324.11438	1.0
373.28711	1.5
375.30719	1.0
391.29880	66.1
392.30203	3.6
393.31473	13.3
401.27866	1.2
419.29251	8.5
437.25131	37.8
437.30481	100.0
438.31259	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	437.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24571	3.3
53.03927	5.6
55.05501	7.7
57.03406	3.9
67.05496	12.0
69.03418	11.0
69.07045	8.8
71.04990	18.7
71.62473	5.0
79.05479	19.4
81.03405	6.9
81.07043	73.4
83.04969	6.3
83.08617	5.7
85.02875	14.8
91.05447	11.5
93.07030	34.0
95.04933	8.7
95.08591	29.2
97.02865	3.4
97.06507	4.6
97.10050	3.3
99.08035	3.3
100.31493	3.4
105.07007	24.0
107.04945	5.7
107.08584	46.4
108.08110	5.0
109.02881	7.8
109.06498	5.7
109.08392	3.6
109.10149	23.7
111.04458	3.9
117.07002	3.2
119.04951	5.2
119.08564	31.4
121.02821	8.6
121.10142	10.5
123.04414	16.9
123.08002	5.0
123.11647	17.1
125.09607	7.4
127.03897	9.7
127.07531	3.1
127.11176	14.6
133.10101	26.4
135.04431	4.4
135.11676	100.0
135.59064	3.0
137.06004	5.6
137.09615	6.4
137.13245	5.0
138.09074	4.9
139.03850	4.6
143.10645	35.2
145.02792	8.8
147.04352	22.6
147.11685	19.4
147.64714	3.1
149.09628	3.7
149.13196	5.7
151.11174	5.5
152.07091	5.2
153.12672	3.9
156.10179	4.6
161.13272	16.3
163.03894	8.7
163.14807	5.0
164.07062	3.4
165.05467	3.5
167.07033	9.3
168.07169	3.1
177.05431	13.3
181.04915	7.6
181.15852	3.9
182.05244	4.2
191.03328	21.0
203.03381	5.5
203.17952	46.2
212.49881	3.9
221.18976	71.3
231.06541	3.1
234.08311	3.3
239.19995	5.9
259.06076	4.1
275.13895	7.7
285.07520	8.3
287.05551	15.0
317.06485	3.9
335.05539	3.3
343.07944	5.2
419.07587	7.2
419.15988	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	437.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05511	7.4
57.03430	5.4
57.07062	3.1
67.05499	12.7
68.99792	4.2
69.03416	10.3
69.07048	7.1
69.65219	17.9
70.33609	2.1
71.04975	19.1
71.82789	2.2
73.02907	5.7
79.00179	2.0
79.05487	18.3
81.03416	7.0
81.07047	71.1
83.04995	4.0
83.08596	6.4
85.02887	14.2
85.06528	6.4
91.05468	13.2
93.07028	28.4
95.04964	7.5
95.08594	27.4
97.02884	6.0
97.06529	4.5
97.10149	2.3
99.08048	4.3
105.07015	19.0
107.04958	4.8
107.08586	47.9
109.02862	8.4
109.06460	3.0
109.10132	22.1
111.04463	4.6
111.08061	5.5
119.08565	27.6
121.02830	5.8
121.10135	18.3
123.04405	9.3
123.11720	15.0
124.07578	3.8
125.09583	6.4
127.03909	7.9
127.11150	15.3
131.08661	2.6
133.10109	24.8
135.11678	100.0
137.02344	3.9
137.09570	3.4
137.13235	3.6
139.03874	10.6
143.10667	25.8
145.10069	4.6
147.04410	9.6
147.11650	21.0
149.02309	3.1
149.13234	4.4
151.11098	3.8
153.01843	3.8
153.12666	4.4
157.10136	2.9
161.13286	15.7
163.03926	8.4
163.14761	5.0
165.09085	3.3
165.12708	2.6
167.07031	7.0
167.08432	2.3
175.03804	3.0
177.05522	3.1
177.68527	2.5
181.04926	3.0
182.05324	2.7
183.05515	4.1
191.03397	14.7
202.10738	5.4
203.03328	3.7
203.17941	61.5
204.18207	3.2
221.18988	81.8
221.21034	5.1
222.19269	3.6
231.06384	3.3
239.20088	8.4
245.04501	4.6
257.21051	4.5
271.05981	3.4
285.07504	4.8
287.05487	20.0
303.04858	8.2
304.05286	5.6
305.05515	19.3
326.72330	3.2
328.13907	3.1
332.83499	2.9
419.07523	9.3
437.08774	5.2
437.10660	4.2
437.14441	21.2
451.24551	2.8
452.59793	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2528
Annotation	Melissoidesin E
Peak:m/z	Relative Intensity
51.02356	0.9
53.03931	1.7
53.82761	0.7
55.01867	7.1
55.05501	22.0
56.96544	1.3
57.03428	4.5
57.07058	2.6
59.04989	6.0
61.02919	1.1
65.03914	3.9
67.05492	100.0
68.05824	1.6
69.03423	3.9
69.07056	12.5
70.06568	0.9
71.04977	5.3
71.62431	0.8
72.35413	0.7
73.02888	0.8
76.02801	0.7
79.05480	22.4
81.03404	11.4
81.07043	42.7
83.01333	4.5
83.04971	10.4
83.08602	17.0
85.02895	2.8
85.06546	3.4
88.07625	1.1
91.05468	24.4
93.07028	36.9
95.04956	9.5
95.08590	35.6
97.02879	2.8
97.06522	6.2
97.10167	3.5
99.04439	2.0
99.08082	1.7
102.09149	1.1
103.05475	1.6
105.07011	28.6
107.04937	6.4
107.08575	32.0
109.06505	10.4
109.10136	79.5
110.10471	2.1
111.04417	2.7
111.08059	6.2
111.11756	0.9
115.05441	1.5
117.06995	10.3
119.08563	52.4
120.08887	1.2
121.06478	10.1
121.10116	20.5
123.04450	2.2
123.08039	10.9
123.08825	1.1
123.11704	2.1
125.05984	2.1
125.09640	2.4
128.06192	1.1
129.06956	3.9
130.07817	1.8
131.08536	13.8
133.06490	1.3
133.10109	24.2
134.10484	0.8
135.08035	10.7
135.11662	15.6
137.09604	5.2
139.07491	1.5
142.07715	1.6
143.08507	6.9
144.09309	1.3
145.06494	1.8
145.10100	34.1
147.08051	9.9
147.11664	15.2
149.02353	3.1
149.06009	1.2
149.09633	3.2
149.13255	5.1
151.11142	1.8
153.09180	0.9
153.12727	3.8
155.08563	2.8
155.10609	4.5
156.09348	2.3
157.10115	10.2
158.10889	1.4
159.08076	2.8
159.11678	15.7
161.09604	15.5
161.13216	11.1
163.07530	1.1
163.11151	23.8
163.14828	5.2
165.09091	1.3
169.10164	2.9
170.10873	1.7
171.08047	1.1
171.11635	6.1
172.12459	0.8
173.09608	5.6
173.11745	22.6
173.13274	11.0
175.11147	12.0
175.14786	23.2
175.16214	1.3
176.11868	1.8
177.12706	6.0
177.16324	5.7
181.10112	1.0
181.12212	4.0
181.56097	0.7
182.10866	1.0
183.11710	3.5
185.13217	8.3
187.11186	5.7
187.14781	22.8
189.12733	17.7
189.16333	12.3
191.10745	2.1
191.14223	3.9
191.18007	0.9
193.05008	3.8
193.12263	0.8
193.15984	0.8
195.11723	1.7
197.13283	3.1
199.11192	1.2
199.14761	6.7
201.12683	3.6
201.16338	22.0
203.14287	24.8
203.16206	1.4
203.17882	6.5
205.15852	3.2
209.11617	7.0
211.14832	2.0
213.12828	2.6
213.16389	3.4
215.14310	7.9
215.17995	3.1
217.15829	8.9
219.13882	1.1
219.17441	1.7
221.15378	3.2
225.16484	1.1
227.12698	9.9
227.17931	2.9
228.23199	2.3
229.15991	2.4
229.19601	1.5
231.17393	1.0
233.15480	1.1
237.07616	2.3
241.19707	1.3
243.17511	1.7
247.16844	3.6
253.19562	1.3
255.17499	0.9
267.09253	1.0
275.20148	1.5
285.10181	2.3
309.22269	1.0
315.68631	0.7
323.23972	0.8
324.11533	1.2
324.61691	2.3
373.28952	2.1
390.82120	0.8
391.29883	39.4
392.30219	2.2
393.31461	9.3
409.30850	1.1
419.29288	6.7
437.25308	77.5
437.30609	69.0
438.30432	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	437.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
55.01847	1.5
55.05492	1.3
65.03940	0.8
67.01907	0.4
67.05479	2.1
68.05834	0.4
68.99776	1.7
69.03409	2.7
69.07040	1.6
70.07732	2.0
71.04980	2.0
72.05325	0.4
74.12269	0.4
77.03886	0.7
79.05476	4.3
80.05800	0.8
81.03406	4.5
81.07048	7.8
82.03715	1.4
82.07375	2.7
83.04945	0.5
83.08601	0.6
83.55288	0.4
85.02888	2.9
89.03916	0.5
91.05461	3.7
93.03378	1.1
93.07018	2.9
94.07346	0.7
95.04953	3.7
95.08586	3.3
96.08907	1.3
97.02876	3.1
97.06487	0.5
97.10174	0.5
98.03181	0.5
99.04444	0.8
99.08060	0.5
105.03371	22.9
105.07011	3.4
106.03705	10.0
106.07318	1.0
107.04933	4.0
107.08583	3.6
108.08894	1.8
109.02857	3.1
109.10127	3.2
110.03185	1.2
110.10474	1.3
111.04404	1.3
115.05437	0.5
117.03368	0.7
119.04204	0.6
119.04929	7.1
119.08555	3.9
119.64391	0.4
120.08894	2.1
121.02850	9.5
121.10110	1.4
122.10436	0.6
123.04404	34.3
123.11668	1.4
124.04748	1.6
124.12008	1.0
127.03896	2.5
127.11176	2.4
128.04155	0.8
128.11505	1.2
131.04892	0.8
133.06465	0.8
133.10118	2.6
134.10423	1.4
135.04391	8.4
135.11665	6.3
136.12006	3.9
137.02336	1.3
137.05905	0.6
141.45438	0.4
143.04849	1.0
143.10629	2.8
144.10977	1.2
145.02826	1.2
145.04909	1.5
147.04381	25.9
147.11658	1.9
148.04799	0.7
148.12012	1.4
149.05908	0.6
149.13249	0.7
153.01773	1.0
159.11719	0.4
161.05954	4.8
161.13219	0.7
162.13568	1.0
163.02525	0.8
163.03867	12.8
165.01801	2.8
165.05467	6.2
175.03876	0.8
177.05440	1.0
179.03415	2.1
179.07024	1.5
183.02838	0.9
185.05980	0.7
187.03874	1.3
189.05475	2.0
191.03355	100.0
192.03769	3.0
195.02940	0.7
197.05936	1.5
197.18132	0.4
201.05348	0.8
203.03368	4.8
203.17915	4.5
204.18259	5.1
205.04956	1.5
207.06522	6.1
221.04436	3.7
221.18964	2.7
222.19273	5.0
231.06393	1.4
232.72733	0.5
233.04407	2.4
243.06496	7.5
249.07515	5.1
250.07896	8.5
255.06541	0.5
267.08630	2.3
268.08966	3.6
273.07446	0.7
285.07501	18.2
286.07895	1.1
297.07449	1.0
317.06519	5.8
325.06949	1.0
343.08066	36.2
344.08405	1.8
395.11185	7.8
396.11044	0.7
419.11108	0.9
436.38397	0.4
437.12265	4.0
437.21307	0.8
455.42499	0.4
464.85239	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.05497	3.0
59.67231	1.0
65.03919	1.0
65.52642	0.9
66.56704	1.0
67.05480	4.0
69.03421	8.1
69.07050	4.4
71.04992	5.6
71.51953	1.9
79.05474	10.7
81.03410	14.0
81.07049	32.9
83.08578	1.3
85.02891	10.2
89.50343	0.9
91.05461	4.4
93.07026	13.3
95.04963	4.8
95.08601	17.0
97.02893	8.1
97.10177	1.3
99.04413	2.7
99.08105	1.6
105.03380	100.0
105.07004	10.0
106.03699	4.0
107.04937	3.1
107.08585	18.5
108.04514	1.2
109.02879	9.6
109.06476	1.1
109.10143	16.7
111.11640	0.9
119.04910	2.3
119.07771	1.7
119.08561	19.6
121.02831	3.8
121.10147	5.6
123.04412	20.2
123.11705	9.2
125.09598	2.6
127.03899	10.7
127.11178	11.5
133.10112	14.3
134.03763	0.8
135.04413	2.7
135.11670	32.4
137.13203	1.7
143.10654	12.5
145.04933	3.9
145.10078	1.2
146.29163	1.0
147.04398	8.8
147.11671	12.2
149.13254	4.8
153.12776	1.7
161.13228	8.0
163.03906	4.8
163.14833	1.5
165.01817	1.3
165.05452	2.7
175.14766	1.1
179.03342	1.4
179.07013	1.2
191.03381	33.9
193.19485	1.0
203.03372	1.8
203.17932	33.4
203.86926	0.9
207.06532	1.5
221.19000	30.5
231.06514	1.2
239.20035	2.6
243.06474	2.5
249.07555	35.2
250.08040	2.4
267.08597	18.5
268.08951	1.8
285.07455	6.2
317.06412	2.4
343.08069	16.2
395.11044	2.6
419.10651	1.2
437.12308	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01854	1.3
55.05485	0.8
57.03419	5.5
61.02908	1.6
65.03915	0.9
69.03407	3.4
70.06557	1.0
70.96820	1.2
70.97157	1.7
71.04964	1.3
73.02905	1.0
75.04462	3.0
79.05477	2.7
81.03419	4.5
81.07044	0.8
81.21608	0.7
85.02895	10.8
86.43484	0.9
91.05453	1.2
95.04961	3.1
95.08574	0.8
97.02888	3.7
99.04445	1.4
103.05413	0.9
105.03393	3.9
105.07019	23.9
107.04930	2.6
109.02877	1.8
109.06505	0.8
111.04453	0.9
112.07586	1.3
121.02848	37.6
121.06478	1.3
121.10142	1.2
122.03551	0.8
123.04412	3.4
127.03872	2.9
133.06476	56.9
134.06818	1.1
134.74548	0.7
135.04353	1.4
137.05960	100.0
138.06267	2.2
139.03891	8.6
145.04927	1.8
145.10135	0.8
147.04366	2.1
153.01830	1.5
163.07526	5.2
165.09097	38.2
172.09775	0.8
175.07538	3.6
175.11034	0.9
177.09160	1.3
181.08580	2.7
182.09366	1.1
183.10143	24.3
203.10658	1.7
209.11626	1.2
216.07295	0.9
221.11690	5.1
239.12688	4.2
257.13818	87.3
258.14145	2.1
265.06995	2.0
267.08615	1.4
268.08600	0.8
273.07428	0.9
274.07806	1.4
280.49487	0.8
283.08115	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	436.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	0.6
55.05492	1.2
57.03405	0.5
59.04982	0.9
60.21122	0.4
67.05470	1.1
69.03403	1.3
69.07044	1.0
69.43710	3.1
71.04979	13.4
73.06541	3.3
79.05475	3.5
81.03399	1.1
81.06568	0.8
81.07043	16.5
85.02890	4.2
85.06517	0.6
87.00797	1.7
91.05463	1.4
93.06464	0.7
93.07030	10.2
95.08581	1.8
96.84510	0.4
97.02872	1.6
97.06509	1.1
98.21514	0.7
105.01854	2.6
105.07001	0.9
107.08578	8.9
109.02884	0.8
109.10123	1.8
119.08543	0.9
127.03899	2.1
133.10121	0.6
135.11667	19.9
136.11978	0.6
145.04984	0.7
153.12718	100.0
154.13054	2.5
203.17822	0.5
221.19122	0.9
229.61357	0.4
249.06068	0.5
251.46913	0.4
288.05817	0.8
289.05917	0.8
290.06277	1.6
362.44049	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99375	4.1
53.03933	6.4
55.05494	11.6
55.70874	5.2
57.68252	3.9
67.05513	6.7
69.03410	7.9
69.07059	11.5
71.04979	15.3
71.21550	7.0
71.21867	7.0
79.05479	21.0
81.03387	5.3
81.07031	68.5
83.08629	5.6
85.02879	16.9
91.05425	9.2
93.07029	38.0
95.04954	4.9
95.08582	40.9
99.08068	7.2
105.06997	26.8
107.08574	57.0
109.06483	5.5
109.10143	41.0
119.08553	49.7
121.10144	13.5
123.11683	22.0
125.09602	8.2
127.03893	4.5
127.11159	31.8
133.10095	42.4
135.11653	93.4
137.13231	10.7
143.10666	28.7
147.11687	23.8
149.13203	8.0
161.13240	15.9
163.14804	6.8
165.12715	5.8
175.14798	4.6
191.03348	15.9
203.17914	72.7
221.18956	100.0
221.47348	4.3
222.19258	4.8
238.09805	4.8
239.20006	8.6
257.21228	5.5
287.05411	9.0
288.05734	18.5
289.05939	23.0
290.06235	38.4
322.23499	5.4
369.90524	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3252
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
51.51854	0.7
53.03934	1.5
55.05500	9.8
57.07058	2.3
58.09063	0.6
65.03928	0.9
67.05496	18.7
69.03439	0.9
69.07057	15.3
71.08624	0.7
71.62990	1.0
73.83033	0.6
77.85909	0.6
79.05482	12.0
81.03384	1.0
81.07046	33.7
82.07373	0.7
83.04977	1.3
83.08614	5.5
85.06487	0.6
86.29980	0.6
87.84404	0.6
89.05907	0.6
91.05463	13.0
93.06454	1.4
93.07032	24.0
94.07382	0.7
95.04968	2.4
95.08597	35.7
97.06516	1.4
97.10135	2.1
99.04419	0.9
105.07019	24.2
107.08582	29.0
109.06513	4.6
109.10142	31.0
110.10461	0.9
111.08069	1.9
111.11707	1.9
115.05442	1.0
117.07003	5.6
119.04908	0.9
119.08561	33.4
120.08926	1.1
121.06446	1.1
121.10130	19.5
123.08031	1.0
123.11691	7.7
125.05996	1.3
127.07535	3.8
128.06216	1.7
129.06995	4.2
131.08546	14.9
133.10112	20.8
135.11671	12.3
136.11972	0.7
137.09578	1.3
137.13199	3.3
139.07559	1.5
141.06981	1.6
141.37733	0.6
142.07698	1.5
143.08533	9.4
144.09297	1.9
145.10100	22.7
146.10490	0.7
147.04390	1.8
147.08022	1.0
147.11661	16.8
147.12766	1.0
149.09650	1.0
149.13239	16.2
150.13626	0.7
151.07410	0.6
151.14722	1.1
153.01772	1.3
153.06860	0.9
153.09103	1.0
155.08507	4.0
156.09305	1.9
157.10109	13.9
158.10876	0.8
159.08055	0.7
159.11662	17.9
160.12134	1.0
161.09616	1.6
161.13232	9.9
163.07452	1.5
163.11205	0.9
163.14815	6.1
167.08607	0.9
168.09229	0.9
169.10136	7.3
170.10922	1.4
171.11685	10.3
172.12355	0.8
173.09625	0.8
173.11748	1.6
173.13220	14.5
173.14659	1.1
175.07475	1.3
175.14796	14.5
176.15091	1.1
177.09053	1.5
177.16351	5.2
179.08577	1.2
179.14296	0.8
181.10110	4.0
182.10962	1.6
183.11673	9.5
184.12346	1.3
185.09671	0.7
185.13255	10.5
187.07535	0.9
187.11095	0.9
187.14815	13.6
189.09113	1.3
189.16350	11.3
191.17900	2.2
193.10092	1.5
194.10886	0.9
195.11707	4.8
195.13315	0.7
196.12335	1.2
197.13249	6.7
199.11108	0.8
199.14804	10.8
201.08983	0.9
201.12781	0.8
201.16350	19.6
202.16624	0.7
203.10600	1.0
203.14336	0.8
203.17950	8.9
205.12218	0.9
207.11720	1.9
208.12480	0.9
209.13235	5.8
210.13850	0.8
211.14818	5.7
212.15538	0.7
213.12833	0.9
213.16371	10.0
214.16777	0.7
215.14470	1.5
215.17917	10.0
217.12140	1.1
217.15932	0.9
217.19554	1.6
219.13794	2.1
221.13307	1.4
221.15318	1.1
222.14166	0.8
223.14795	4.2
225.16316	6.3
226.16777	0.8
227.17871	4.9
229.12335	1.0
229.15955	1.6
229.19421	3.7
231.13843	1.9
233.15388	1.6
235.14864	1.6
237.16365	7.1
239.17900	6.1
240.18445	0.8
241.19446	4.3
243.13800	1.7
243.17386	0.8
245.15378	2.2
247.17010	1.6
249.16417	1.4
251.17966	3.9
253.19473	4.6
255.17450	1.1
255.21092	1.8
256.26318	1.0
257.15384	1.7
259.16913	3.5
263.17972	2.6
265.19495	3.9
267.21054	4.6
269.15332	1.1
269.22540	1.4
271.16962	2.4
273.07584	3.7
273.18594	2.2
277.19531	2.7
278.19873	0.8
279.21005	4.3
281.15573	0.8
281.22620	2.6
283.16974	5.4
283.23972	0.7
285.18622	3.1
287.20111	1.2
291.21170	1.0
293.22650	2.9
295.24225	1.8
297.18448	3.4
299.19962	1.3
303.04843	1.6
305.22571	1.6
307.24100	1.4
311.20029	2.5
313.21707	1.2
319.24161	4.2
323.19995	1.8
325.21497	3.5
327.23248	0.9
333.25803	2.0
337.21634	1.2
339.23227	1.6
341.24866	0.9
347.27347	1.2
351.23251	1.1
353.24765	3.2
365.24722	1.7
366.25739	0.9
379.26263	2.6
389.26929	1.3
389.31979	25.7
389.36792	1.4
390.32373	3.3
391.33746	1.5
393.27927	1.1
399.30597	0.7
407.33099	3.5
417.26599	1.2
417.31595	3.7
435.32611	100.0
436.33044	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	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03926	4.3
55.01852	3.4
55.05502	19.5
57.03436	4.2
57.07062	1.5
58.65766	0.8
59.04990	4.1
65.03931	4.3
67.05495	100.0
67.82247	0.8
68.05806	1.3
69.03398	1.0
69.07054	10.2
69.44489	8.2
69.90119	0.8
71.01321	1.2
71.04983	4.8
79.05482	41.0
81.03411	5.5
81.07045	36.4
82.07355	0.8
82.39477	0.8
83.04971	8.0
83.08607	8.9
85.06519	3.4
87.04427	1.0
91.05468	33.5
92.05808	0.9
93.07031	42.1
95.04957	10.1
95.08589	21.1
97.06511	6.7
97.10163	4.5
99.08073	1.6
105.07015	23.7
107.04932	4.6
107.08579	19.6
109.06490	3.5
109.10142	48.8
110.10461	1.5
111.08057	4.3
117.07007	5.6
119.08562	20.3
121.06477	1.9
121.10090	4.6
123.08037	3.7
123.11664	1.0
125.09642	0.9
128.06198	1.7
129.07008	7.1
131.08528	3.8
133.10115	9.4
135.08052	1.8
135.11664	15.2
137.09602	2.7
141.06941	1.6
142.07721	0.8
143.08531	6.2
145.10109	12.1
147.07970	1.9
147.11667	18.1
148.43277	0.8
149.13232	1.0
153.01823	1.6
155.10646	2.4
157.10092	2.3
159.08043	1.0
159.11700	3.9
161.09601	4.5
161.13249	6.3
163.11185	3.2
163.14809	1.5
169.10065	2.0
171.11664	15.4
173.09573	1.8
173.11711	14.4
173.13130	2.0
175.11130	1.5
175.14803	1.5
177.16380	1.2
181.10019	1.5
181.12190	2.8
185.13216	1.2
187.11171	1.3
187.14708	2.1
189.12709	7.5
195.11549	1.3
197.13350	1.1
199.11241	1.7
199.13112	1.0
199.14853	1.6
201.12738	1.8
201.16373	3.3
207.13771	16.3
211.13202	2.1
213.12671	2.2
213.16397	1.3
215.14284	2.1
215.17946	1.0
221.10855	1.0
225.14778	1.6
227.17856	1.1
253.19366	1.1
262.26492	0.8
273.07458	2.1
281.17487	1.0
299.20181	1.6
303.05103	2.1
319.04388	1.0
323.20026	1.2
343.22772	0.9
359.28925	0.9
389.27994	1.9
389.32367	1.1
417.26593	2.0
435.27368	89.4
435.32126	4.2
436.27774	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	435.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01850	1.7
55.05492	1.9
56.17242	0.4
57.03429	4.5
61.02902	1.2
62.65933	0.5
65.03911	1.6
67.05479	1.9
68.99775	1.4
69.03413	3.9
69.07034	1.1
69.47015	3.5
69.47433	1.0
71.01333	0.5
71.04987	4.2
71.16457	0.4
73.02904	11.1
79.05470	2.9
81.03388	2.1
81.07041	5.6
83.04953	1.4
83.08624	0.5
85.02894	4.1
85.06526	1.1
87.04446	0.8
91.05467	3.0
93.03349	0.5
93.07029	5.6
95.04937	1.9
95.08595	2.7
97.02884	1.7
97.06506	1.4
99.04456	0.6
99.08064	1.3
100.35940	0.5
103.05469	0.6
105.07008	4.4
107.04933	3.8
107.08557	3.7
109.02827	1.4
109.06488	2.0
109.10114	2.7
111.00806	0.7
111.04414	1.0
111.08070	0.7
115.03876	1.8
115.05411	0.6
116.45270	0.4
117.07001	1.0
119.04899	2.8
119.08547	2.2
121.02817	3.4
121.06470	1.5
121.10115	4.4
122.10464	0.5
123.04404	3.9
123.11674	1.7
123.16446	0.5
124.05136	0.6
125.09605	2.0
127.03869	1.2
127.07612	0.5
127.11167	5.7
129.09076	0.8
131.08522	1.3
133.04944	0.8
133.10103	6.8
135.11697	1.2
137.02281	2.8
137.09581	0.7
139.03856	0.8
139.11101	1.1
142.02542	0.6
143.10669	2.9
145.06409	1.4
145.10100	3.4
147.04390	9.9
147.11662	1.1
148.04761	0.4
149.02362	0.7
149.09578	0.6
151.11163	6.9
152.43225	0.5
153.01794	24.4
154.02141	0.8
155.10629	3.1
157.06502	0.6
159.11644	1.5
161.05980	1.2
161.13228	0.8
163.03879	1.3
165.01801	2.0
166.02530	0.9
167.07019	8.7
167.10631	1.3
169.12219	0.5
171.02888	0.8
172.05168	0.8
173.05928	1.3
175.07458	0.7
177.05383	1.2
181.04922	12.1
181.06412	0.7
181.08472	0.6
183.02876	0.5
187.07533	0.8
189.09091	1.0
191.06966	0.8
195.02872	0.8
195.06424	0.7
201.05392	3.0
201.16335	2.5
205.08427	0.5
206.05719	0.5
218.05669	1.0
219.10133	0.6
219.17427	3.7
221.07831	1.1
227.06921	1.5
229.04967	4.6
229.07072	0.7
231.06511	1.9
233.08031	6.3
235.09569	0.5
237.18440	20.1
238.18875	1.1
247.05690	0.7
251.09090	1.0
255.06493	9.9
255.19519	1.3
256.06952	1.1
256.09515	0.7
257.04385	3.1
263.09085	1.7
273.07516	38.9
274.04816	0.9
274.07880	3.6
285.04001	1.0
288.05792	0.8
289.06027	1.3
303.04932	100.0
304.05270	10.8
361.15823	0.6
387.13989	0.8
399.14340	0.8
405.79910	0.5
417.15396	4.2
418.15311	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1641
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
50.61457	0.7
53.03929	1.6
55.01865	1.6
55.05490	1.4
57.03425	1.1
65.03931	7.7
67.05485	3.8
69.03424	4.7
69.41573	8.9
71.04984	2.3
79.05482	7.8
81.03407	4.3
81.07034	6.2
82.04198	2.8
83.04972	1.4
83.08617	1.1
85.02881	8.4
85.06538	1.5
91.05471	5.7
93.03377	1.9
93.07030	3.2
95.04948	4.2
95.08604	2.3
97.02846	2.0
97.06506	3.2
100.11240	1.0
103.05458	1.2
105.06989	4.3
106.04190	1.8
107.04929	18.2
107.08607	3.0
109.02878	2.4
109.06531	0.9
109.10143	2.7
110.03630	3.7
111.00740	0.9
111.08060	1.0
115.05431	3.0
117.07021	5.9
119.04905	6.6
119.08566	2.1
121.02864	1.4
121.06508	2.2
121.10110	2.2
123.00828	0.9
123.04391	6.2
124.05183	3.4
125.05963	3.0
127.00099	0.9
127.03890	6.4
128.06206	1.1
129.06998	2.9
131.04892	1.9
131.08556	3.2
133.06473	2.6
133.10110	2.0
135.08179	0.9
135.11658	1.8
137.09616	3.4
138.03122	2.8
141.07016	1.7
142.02571	1.8
143.10599	1.0
144.05693	4.6
145.06451	7.9
145.10126	2.4
147.04376	26.6
147.05493	1.4
147.08047	1.1
147.11592	1.3
149.05991	2.0
151.03917	1.6
152.04681	1.8
153.01796	53.9
153.05405	2.8
153.12717	1.8
154.02238	1.2
155.04874	1.4
157.06500	3.1
159.08083	4.2
159.11662	1.8
160.05176	1.0
160.08733	1.2
161.05960	3.8
163.03862	1.0
163.07430	1.0
165.09091	3.3
166.02562	1.0
167.07007	51.2
171.02930	1.5
171.06499	5.9
172.05144	5.8
173.04591	1.1
173.05977	5.7
175.07509	1.7
177.05443	1.5
177.09181	1.1
179.03456	1.1
181.04921	100.0
182.05260	1.9
182.15376	1.4
185.05887	1.6
187.07516	9.6
189.05446	3.2
189.12852	1.2
191.06979	2.3
191.10692	2.0
193.04935	1.4
195.06442	2.6
200.04662	2.6
201.05464	5.8
205.08530	5.3
206.05714	3.0
207.06404	1.1
209.08063	2.6
210.14780	0.9
217.08592	1.5
218.05637	6.0
219.10098	5.1
219.17421	1.6
221.08026	6.8
225.07524	1.1
231.06490	3.3
233.08034	51.6
235.07425	0.9
235.09459	2.0
237.18434	1.3
238.18730	0.9
245.07973	4.2
247.07475	1.0
251.09085	4.6
255.19646	1.3
255.60773	0.8
263.06668	0.8
263.09109	12.3
273.07520	77.3
274.07889	3.6
274.75711	0.8
279.10046	0.8
281.10132	1.0
287.05386	3.3
288.05771	5.4
289.05930	10.4
293.08316	0.9
303.04916	6.0
307.09497	1.4
309.13284	1.9
325.06876	1.2
325.10443	1.1
339.12308	1.3
352.09869	1.2
355.11725	2.7
356.12433	1.0
367.11716	3.1
371.14877	1.9
373.12460	1.4
381.13443	2.3
384.11850	1.5
387.14288	10.6
399.14255	6.9
417.15338	30.3
418.15662	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20159	0.7
53.03926	1.7
55.01872	1.5
55.05500	2.9
65.03940	7.0
67.01881	1.0
67.05499	4.3
67.09480	0.8
69.03419	6.1
69.07046	2.2
69.31121	2.7
69.31544	6.7
71.04961	1.4
78.04688	1.0
79.05478	8.1
81.03394	5.7
81.07050	4.2
82.04184	2.5
83.04946	1.1
85.02891	8.6
85.06537	2.6
90.54346	1.1
91.05469	6.9
93.03330	1.6
93.07034	3.7
95.04932	4.9
95.08589	2.8
97.02867	2.6
97.06525	3.5
100.11240	3.3
103.05428	1.2
105.07015	3.7
106.04128	0.9
107.04272	1.4
107.04945	16.3
107.08578	2.2
109.02849	2.0
109.06532	1.2
109.10120	4.7
110.03629	3.6
111.04427	2.4
115.05447	3.9
116.06200	0.9
117.07013	4.8
119.04939	7.5
119.08568	2.3
121.02878	1.6
121.06461	2.8
121.10142	2.5
123.04414	7.2
123.11701	1.3
124.05183	2.6
125.05968	3.4
125.09599	1.5
127.03913	4.8
128.06207	1.2
129.06941	2.1
130.04108	0.9
131.04924	2.1
131.08563	2.5
133.06487	2.3
133.10123	1.8
135.08044	1.1
135.11639	1.7
137.05949	2.2
137.09529	4.1
138.03091	2.0
139.07542	0.9
141.06961	1.9
142.02602	3.2
144.05653	2.5
145.06456	6.2
147.04385	28.0
147.05502	1.8
147.08025	1.3
149.05894	1.5
149.13179	1.2
152.04616	2.1
153.01805	47.6
153.05452	1.7
153.12704	4.5
154.02132	1.3
155.04860	1.3
155.05988	1.2
155.07079	1.1
157.06468	2.7
159.08028	3.8
160.05180	0.8
161.05951	5.3
165.05597	1.0
165.09109	2.9
167.07014	47.5
171.02876	2.0
171.04300	0.9
171.06508	4.5
172.05156	7.0
173.05966	4.5
175.07472	2.2
177.05443	1.6
177.09142	1.4
177.12575	1.0
179.03391	1.4
181.04924	100.0
182.05307	2.2
182.15405	2.7
183.06509	1.3
185.05942	1.1
187.07462	8.5
189.05482	3.5
190.06100	1.3
191.06961	1.3
191.10658	1.9
193.04985	1.0
195.06471	2.1
200.04663	1.9
201.05428	7.4
201.16457	1.4
203.07043	1.1
205.08519	4.4
206.05698	3.4
207.06506	2.2
207.10159	1.2
209.08020	2.2
210.14906	3.1
217.04880	1.2
218.05699	3.8
218.09343	0.8
219.06436	1.0
219.10118	5.7
220.17798	1.1
221.08031	6.5
231.06410	3.5
233.08037	51.0
234.08467	1.0
235.07555	1.3
235.09622	2.8
237.18468	3.0
245.08142	2.3
251.06898	0.9
251.09012	4.1
255.19536	1.7
263.09113	14.4
273.07529	71.4
274.07858	3.1
280.07187	1.3
281.10257	1.2
285.07034	0.9
287.05396	4.0
288.05850	3.8
289.05984	9.7
295.09564	1.6
303.04953	6.3
307.09634	1.3
309.07419	1.1
309.13239	1.3
323.09311	1.5
324.09720	1.1
339.12012	1.3
341.60043	0.8
344.12363	1.2
346.61600	0.9
351.20959	0.9
353.75708	1.2
355.11655	3.1
356.12454	1.2
359.08020	0.9
367.11694	1.8
371.14822	1.3
381.13272	3.2
384.12329	1.2
387.14310	10.2
399.14417	7.1
405.15308	1.2
417.15350	28.1
435.16672	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78562	0.3
53.03945	0.6
57.03420	1.1
63.38300	0.3
65.03922	1.6
69.03419	3.1
69.66853	2.7
81.03412	4.1
81.19669	0.3
82.03774	0.3
83.63892	0.3
85.02894	4.2
91.55498	0.3
93.03332	0.4
95.04958	7.2
97.02882	3.0
98.21466	0.7
99.04463	1.1
109.02862	2.0
111.04446	1.8
111.05106	0.3
121.02850	100.0
122.03169	1.4
123.04398	0.6
127.03895	2.0
135.06525	0.4
139.03885	16.2
140.04254	0.5
145.04967	0.7
169.85382	0.4
181.04915	0.5
247.06044	0.7
265.07047	5.9
283.08072	16.6
284.08621	0.4
455.76007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1645
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03925	1.8
55.01863	1.6
55.05505	1.4
57.03419	1.2
61.02919	1.3
65.03932	7.9
67.05499	6.7
69.03413	6.2
69.07043	3.2
69.90909	5.7
71.04975	4.6
73.02874	1.6
79.05484	13.1
81.03396	4.6
81.07047	9.7
82.04185	2.0
82.07304	1.2
83.04943	1.3
83.08575	1.2
85.02890	9.9
85.06528	3.2
91.05479	9.1
93.03385	1.9
93.07027	8.5
95.04957	6.7
95.08585	10.0
97.02873	1.9
97.06486	5.6
99.08094	1.3
103.05469	3.0
105.03400	2.8
105.07017	12.4
106.06554	1.5
107.04940	28.6
107.08575	6.7
108.02098	1.7
108.08097	2.1
109.02856	2.6
109.06503	2.8
109.10139	8.4
110.03628	3.1
111.04408	3.7
111.08072	2.6
115.05424	6.0
117.06994	6.6
119.08558	6.3
121.02854	3.2
121.06458	2.9
121.10115	5.3
123.04412	9.7
123.11696	5.6
124.05197	3.9
125.05965	4.4
125.07060	1.4
125.09589	3.2
127.03894	3.8
127.11191	3.7
128.06209	1.8
129.07016	2.8
131.04863	3.3
131.08563	6.2
133.02753	1.8
133.06465	4.9
133.10109	15.7
135.04382	2.8
135.08008	1.3
135.11700	2.3
137.05981	4.5
137.09613	3.1
138.03104	2.0
139.03900	3.1
141.07031	2.0
142.02559	2.5
143.08183	3.4
143.10660	2.5
144.05717	5.5
145.06450	16.1
145.10088	5.0
146.07269	1.4
147.04353	6.7
147.08051	1.6
147.11642	2.6
149.02258	1.3
149.09637	1.5
149.13170	1.9
151.03822	2.0
151.11191	9.1
152.04652	2.9
152.07027	1.4
153.01788	6.6
153.05434	2.6
155.05991	2.2
155.07106	1.7
155.10643	3.7
157.06487	4.0
159.04364	1.4
159.08018	4.4
159.11664	4.9
161.05952	8.9
161.13205	2.0
163.03862	2.4
163.07492	1.6
164.07103	1.6
165.01802	1.6
165.05548	1.8
167.07018	82.3
169.12262	2.4
170.08330	1.1
171.06493	5.1
172.05180	8.7
173.05986	8.1
173.13258	1.4
175.07484	3.7
177.09135	1.9
179.06996	3.3
181.04932	100.0
181.08374	3.0
182.05322	2.0
183.06496	1.9
185.06122	1.3
187.07425	8.8
189.05455	5.3
189.09077	1.2
190.06236	3.2
191.07037	2.7
191.10608	2.5
193.08578	1.3
195.02872	3.0
195.06462	2.7
199.07518	1.8
200.04651	2.8
201.05481	10.0
201.16368	4.7
203.06976	2.5
205.08525	8.7
206.05730	3.3
207.06508	1.7
207.10110	2.8
213.05373	1.7
215.06985	2.5
217.08582	2.4
218.05693	8.7
219.06474	2.6
219.10007	5.3
219.17413	8.8
221.08028	11.2
229.04950	1.4
231.06473	7.2
233.08038	63.8
234.08534	2.4
235.09599	6.6
237.18478	10.4
243.08702	3.5
244.09436	8.0
245.08080	4.6
251.09093	8.8
255.06444	1.4
255.19600	2.4
263.06903	1.7
263.09149	16.0
265.08496	1.3
273.07498	12.9
276.07675	1.4
277.08658	1.5
279.10083	1.8
280.07184	2.0
287.05524	5.8
288.05844	6.3
289.05997	11.7
292.06973	1.2
295.09647	1.4
303.04965	14.5
307.09506	2.5
309.07495	2.1
323.09100	2.1
324.09860	1.8
328.30231	1.1
331.08163	2.3
335.09076	2.2
340.09668	1.2
355.11810	2.9
367.11697	7.1
378.15182	3.8
379.16119	5.0
385.12631	5.0
387.14413	11.2
399.14499	8.9
417.15381	63.8
418.15659	2.2
435.17715	1.6
435.69440	1.2
436.16135	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
54.58727	0.4
56.14802	0.3
57.03419	0.5
65.03917	1.4
69.03420	3.7
69.65071	1.7
69.65482	0.6
71.01322	0.4
71.94329	0.3
76.36037	0.3
77.57061	0.4
81.03406	4.2
85.02889	5.5
95.04957	6.0
97.02874	2.7
98.21507	0.6
99.04452	0.9
109.02846	1.7
111.04420	1.4
117.05490	0.4
121.02849	100.0
122.03237	1.6
123.04461	0.5
124.88344	0.3
127.03904	1.8
139.03879	17.7
145.04915	1.0
147.04366	0.3
151.07523	1.7
152.07866	1.1
155.64047	0.3
239.28990	0.3
247.06039	0.8
265.07016	5.6
273.07336	0.3
279.57513	0.3
283.08096	16.5
284.08362	0.6
300.53339	0.4
329.99451	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.8
57.03414	0.6
65.03921	1.2
69.03416	3.0
69.45257	2.7
71.04942	0.4
81.03395	4.1
85.02891	4.0
85.73708	0.3
91.36098	0.4
95.04944	5.6
97.02864	2.6
99.04440	0.9
109.02871	2.8
111.04411	1.8
114.92148	0.3
121.02840	100.0
122.03168	1.6
127.03888	1.9
135.06470	0.4
139.03870	17.2
145.04945	0.9
153.01558	0.3
153.07587	0.5
154.70706	0.3
171.14268	0.3
247.06076	0.6
265.07034	5.1
268.30850	0.4
273.11224	0.4
283.08047	15.1
284.08426	0.6
437.30304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86486	0.3
57.03422	0.7
58.99881	0.4
61.02916	0.5
62.73255	0.4
65.03947	0.4
69.03436	3.1
69.85194	2.4
70.06576	0.4
71.04988	0.6
73.02905	0.7
75.59750	0.3
77.00900	0.5
81.03403	1.0
82.99400	0.6
82.99782	2.0
83.04987	0.5
83.14523	0.3
84.08115	0.5
85.02903	8.0
85.06551	0.4
86.03270	0.4
91.05470	1.0
92.05809	0.5
93.07041	1.4
94.07365	0.8
95.04958	0.6
96.86926	0.4
97.02892	3.2
99.04437	0.8
101.00868	7.9
101.03445	0.4
103.02438	1.0
103.05492	0.6
109.02841	0.9
110.07195	0.4
111.04482	0.6
113.00807	0.6
115.02383	0.7
117.03923	0.5
119.01916	24.3
119.04960	0.7
120.01997	1.0
121.01915	0.5
121.02846	5.7
121.03578	0.6
121.06499	27.2
122.06833	16.8
122.07764	0.5
123.04441	0.9
123.95001	0.4
127.03930	1.8
131.01918	3.5
133.03467	1.3
134.03911	0.4
135.04387	0.4
137.02959	2.7
137.05940	0.4
138.09128	9.2
139.03868	1.0
139.09506	5.1
140.03354	0.5
142.03445	0.6
143.01889	70.4
144.01987	2.6
145.01662	0.8
145.03517	3.8
145.04846	1.9
147.01425	0.9
147.04405	1.4
153.01784	0.5
155.01883	2.6
157.03445	1.4
159.04854	0.5
160.06483	0.4
161.02946	100.0
162.03082	4.7
163.03920	1.3
167.05486	0.6
167.07043	0.8
169.03394	0.5
171.01443	1.2
171.05014	0.7
173.02968	3.4
173.06589	0.8
174.04498	0.4
175.04572	0.9
177.00807	0.5
179.03969	0.8
183.05040	0.7
184.04527	4.4
185.02977	1.4
185.06529	3.2
187.04494	0.6
187.08131	0.5
189.02449	2.9
189.06073	0.4
195.05113	0.4
197.03026	0.5
197.06552	1.9
198.98576	0.7
199.08090	0.7
201.06238	0.6
203.03998	37.2
204.04225	1.6
205.05534	0.5
207.03473	0.8
209.06650	0.6
211.08119	0.5
213.06055	1.1
215.07605	1.1
219.07591	0.5
221.05028	4.5
223.06593	0.6
227.07445	1.8
228.08350	0.6
231.03505	7.5
232.03600	0.5
232.58435	1.5
239.07648	0.5
243.03647	0.5
245.04939	1.0
246.05699	0.5
247.06450	0.6
249.04475	1.1
255.07085	0.6
257.04947	0.5
273.08038	2.1
274.08362	0.7
275.09879	1.0
283.08057	0.5
287.09744	27.0
288.09958	1.7
291.05463	1.4
293.10779	1.7
305.10779	4.5
315.09103	0.9
319.08792	0.5
319.12125	0.7
321.10236	0.4
333.06714	1.0
333.10281	0.5
347.11810	0.6
417.12405	1.5
429.54221	0.4
435.13458	25.5
436.13367	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0916
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
51.85329	0.2
53.03948	0.2
55.01863	2.4
57.03430	3.7
59.04988	0.2
61.02901	0.7
68.99773	0.8
69.03419	2.0
69.05882	0.2
69.60693	1.4
71.01357	1.0
73.02901	2.2
85.02896	2.7
87.04441	0.4
88.95105	0.2
93.03362	0.3
95.04942	0.4
97.02892	0.9
102.14965	0.2
103.03902	0.4
104.92764	0.2
109.02867	0.4
111.00787	1.0
115.03911	1.5
118.22501	0.2
121.02885	0.9
121.10130	0.3
123.04426	0.3
133.04939	2.8
135.04347	0.2
137.02328	3.0
145.06435	0.3
149.02339	0.5
153.01804	4.2
155.04929	0.3
161.05946	0.5
163.03853	0.7
165.01830	2.1
166.02545	0.4
167.06985	0.3
172.95766	0.2
173.05968	0.4
175.05144	0.2
181.04919	0.5
183.02844	0.8
183.04326	0.3
187.03856	0.2
201.05458	1.9
219.02904	0.2
219.06512	0.4
221.56035	0.2
228.04216	0.2
229.04933	4.8
233.08163	0.2
237.18452	0.7
247.05971	0.6
257.04428	2.7
273.07562	0.4
274.04730	0.6
285.03900	1.7
303.04944	100.0
304.05304	2.5
315.04828	0.2
394.54211	0.2
399.06677	0.3
417.15610	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1279
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
55.90115	0.3
67.01867	0.9
68.99784	0.6
69.03404	1.4
69.78604	2.7
81.03417	0.6
84.24827	0.4
85.02886	2.7
91.05459	2.8
95.04961	1.0
97.02865	1.1
106.17140	0.4
107.04958	1.2
115.48299	0.4
119.04922	8.3
121.02843	0.7
121.06465	0.6
123.04414	3.0
127.03873	0.6
147.04385	34.3
151.03841	0.6
153.01807	67.4
154.02248	0.6
171.02887	2.5
171.04175	0.5
175.07600	0.7
179.03470	0.6
189.05405	0.7
195.02835	0.8
213.05466	0.9
219.02873	0.7
231.06496	17.5
232.06853	0.5
255.06544	0.8
273.07535	100.0
274.07864	2.7
285.07474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0915
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.60268	0.2
50.76836	0.2
54.26931	0.2
55.01846	0.7
57.03138	0.3
57.03425	6.3
59.04994	0.2
61.02913	1.9
65.03922	0.4
67.05476	0.5
68.99783	0.6
69.03428	1.0
69.64867	1.5
71.01314	0.4
71.04977	0.2
73.02905	13.4
79.05479	0.3
81.03401	0.3
81.07011	0.3
83.06734	0.3
85.02870	1.2
85.06516	0.3
87.04445	0.3
89.43027	0.2
91.05463	0.4
93.03368	0.2
93.06994	0.4
95.04934	0.5
95.08547	0.3
96.78371	0.2
97.02876	0.4
97.06515	0.2
98.20719	0.2
105.07005	0.6
107.04935	0.6
107.08578	0.3
109.02828	0.5
109.10134	0.4
111.00813	1.1
111.08057	0.2
115.03919	1.3
117.06981	0.3
119.08552	0.4
121.02836	1.0
121.10133	0.3
121.20280	0.2
123.04374	0.6
125.09615	0.4
127.03887	0.6
129.09047	0.2
133.04951	0.6
133.10114	0.4
135.04373	0.4
137.02312	3.9
145.06430	0.3
147.04367	0.4
149.02283	0.7
150.43915	0.2
153.01801	4.5
158.24524	0.2
161.05962	0.3
163.03828	0.5
165.01811	2.3
167.07033	1.1
173.05951	0.6
179.03410	0.4
181.04929	2.6
183.02864	0.9
183.04335	0.3
187.03841	0.4
191.03310	0.4
195.02872	0.3
201.05432	2.0
213.05341	0.2
219.17355	0.4
221.08073	0.4
229.04936	4.2
231.06496	0.5
233.08064	0.9
237.18466	0.9
247.05965	0.9
257.04395	2.5
273.07568	0.6
274.04657	0.9
285.03870	1.1
287.05429	0.3
288.05807	0.5
289.06046	1.1
299.05533	0.2
303.04932	100.0
304.05273	3.1
315.04953	2.3
327.04913	0.5
329.06546	0.2
341.06509	0.8
345.05988	1.3
353.06580	0.6
369.05948	1.2
381.05997	0.6
399.07129	2.0
417.08194	0.7
417.15384	0.7
435.09195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.5
57.03405	3.2
57.07060	3.5
59.04959	3.3
61.02908	3.5
65.03903	2.6
67.05491	15.6
69.03407	7.1
69.07045	14.2
69.47408	2.3
69.87755	5.8
69.88161	7.2
71.04981	28.3
73.06536	3.5
79.05480	15.8
81.03394	2.6
81.07038	42.8
81.53974	2.2
83.08596	11.8
85.02895	22.1
91.05464	16.3
93.06477	3.0
93.07031	43.9
95.04928	4.3
95.08590	63.1
97.02872	4.9
97.06501	8.5
97.10130	3.7
99.08057	4.0
105.07014	51.9
107.08575	56.9
109.06426	3.3
109.10148	20.6
111.08058	3.3
115.60579	2.4
117.06967	5.8
119.08561	30.1
121.06442	3.6
121.09309	2.6
121.10120	34.2
123.08025	3.7
123.11713	13.7
123.12440	1.9
125.09625	22.2
127.03916	6.0
127.11137	4.4
131.08589	16.3
133.09090	4.7
133.10109	87.0
135.07947	2.8
135.11668	9.8
137.09592	3.7
139.11226	3.0
143.10645	40.4
145.04916	4.0
145.10095	24.2
146.10948	2.6
147.11676	34.9
149.13231	52.2
151.11154	6.2
151.15637	2.3
152.00186	2.5
153.01823	2.9
155.10666	2.1
157.10094	3.2
159.11674	23.0
161.13199	11.9
167.06992	2.1
167.14288	100.0
169.12263	4.1
173.13214	4.1
175.14822	4.4
181.04893	3.8
185.15337	4.2
191.14281	2.3
191.17917	4.2
193.07492	2.1
201.16341	35.0
203.17883	5.0
219.07951	2.2
219.17404	89.0
220.17654	2.6
221.19136	3.0
231.06319	2.5
233.07999	4.0
237.18492	15.0
255.11169	9.0
273.07529	6.2
273.12225	8.5
287.05417	22.8
288.05807	48.7
288.08624	1.6
289.05981	5.9
399.23676	3.1
435.17273	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	434.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05503	4.6
59.90664	1.6
63.39495	1.4
65.04826	1.6
67.05492	5.7
69.03428	5.8
69.07051	3.3
70.97483	3.4
70.97810	1.5
71.04988	3.6
73.02937	1.7
79.05479	12.4
81.03391	3.2
81.07051	100.0
82.07404	1.8
83.04977	6.0
83.08614	4.7
85.02892	11.1
91.05471	5.9
91.98261	1.3
93.07042	14.3
93.72867	1.3
94.33040	1.5
95.04945	3.9
95.08607	20.4
97.02896	4.3
97.06490	1.9
99.08089	3.5
105.07035	21.9
106.07373	1.4
107.08589	18.8
108.59789	1.4
109.02847	2.6
109.06493	2.5
109.10152	9.5
111.08069	1.5
117.07037	3.0
119.08566	10.9
121.10126	10.9
123.11706	3.9
123.12543	1.5
125.09631	14.1
127.03912	6.0
127.11194	2.0
131.08545	9.1
133.06491	4.9
133.10114	6.1
135.11691	3.1
139.11166	45.6
140.11464	2.1
143.10681	2.9
145.04916	4.1
145.10121	22.7
146.10463	1.4
147.04395	3.6
147.11653	3.1
149.13242	5.0
151.41437	1.4
159.11687	18.3
161.13249	30.0
163.14862	2.0
166.44322	1.4
167.06960	1.9
173.13289	4.8
181.04973	2.7
191.17938	1.9
201.16354	45.8
219.17418	24.8
219.19337	2.3
231.13574	1.4
237.18573	3.8
243.12279	10.3
273.07602	5.1
287.05502	10.7
288.05878	21.4
289.06018	1.6
444.59875	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.092
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03918	0.3
54.50267	0.2
55.01833	0.5
55.05505	2.4
57.03431	7.0
61.02645	0.2
61.02918	2.0
65.03934	0.9
67.05469	0.6
68.99766	0.7
69.03416	1.2
69.07052	0.4
70.06567	0.3
70.91329	0.5
71.01338	0.3
71.04980	0.3
73.02911	14.9
79.05488	1.1
81.03378	0.5
81.07040	1.0
82.06573	0.9
83.04932	0.3
83.08213	0.2
83.08611	2.1
84.08131	0.4
85.02493	0.2
85.02894	1.9
85.06522	0.2
91.05473	0.8
93.03384	0.3
93.07001	0.4
95.04951	1.0
95.08592	0.9
97.02854	0.7
97.06528	0.5
98.09725	0.2
99.04423	0.2
100.07581	0.7
100.11244	5.8
105.07018	1.5
106.07296	0.4
107.04953	2.2
107.08556	0.7
109.02824	0.8
109.06457	0.3
109.10110	0.6
110.06000	0.6
111.00806	1.1
111.04425	1.6
112.07563	0.4
115.03927	1.0
115.05396	0.5
117.06969	0.6
119.04922	0.4
119.08579	0.3
121.02857	1.5
121.10095	0.3
123.04424	1.2
123.11694	0.4
124.05170	0.3
125.05969	0.4
125.09596	0.3
127.03918	1.1
127.08672	0.4
128.07068	0.9
129.06964	0.3
131.04922	0.3
131.08556	0.4
133.04912	0.5
133.06448	0.3
133.10103	1.0
137.01320	0.3
137.02315	4.1
137.03357	0.2
137.05934	0.3
138.03072	0.2
139.08662	1.0
142.02492	0.2
143.10645	0.4
144.05663	0.4
145.04872	0.3
145.06494	1.1
145.10059	0.3
147.04408	1.5
147.08054	0.2
147.11575	0.3
149.02304	0.4
149.05931	0.3
151.11159	0.5
153.01813	5.6
153.05380	0.3
155.04825	0.4
155.05994	0.3
157.06439	0.5
159.04417	0.3
159.08026	0.4
161.05957	1.0
163.03879	0.9
165.01830	3.1
165.05467	0.2
166.02531	0.4
167.07031	5.5
171.02835	0.3
171.06496	0.6
172.05138	0.5
173.06017	1.0
175.07445	0.2
177.01805	0.2
177.05399	0.3
181.04945	9.0
182.13835	0.2
182.15399	3.8
183.02945	1.2
183.04347	0.4
187.03922	0.4
187.07526	0.8
189.05388	0.3
190.06020	0.2
191.03346	0.8
191.07082	0.3
191.10570	0.3
195.02882	1.8
200.04654	0.4
201.05423	2.1
201.16417	0.3
201.68790	0.2
205.05000	0.4
205.08543	0.5
206.05762	0.5
209.16475	2.8
210.14885	3.6
213.05478	0.3
217.08623	0.3
218.05699	0.7
219.02931	0.9
219.06482	0.5
219.10181	0.6
219.17506	0.4
221.06091	0.2
221.07916	0.9
226.19125	2.5
228.04169	0.3
228.15970	0.3
229.04933	4.1
231.02884	0.3
231.06482	0.5
233.04509	0.3
233.08054	5.9
235.09644	0.4
237.18486	0.8
245.08029	0.3
247.06056	0.8
249.03853	0.3
251.09160	0.5
257.04404	3.2
261.03909	0.5
263.09140	1.3
264.07587	0.2
273.07529	2.0
274.04730	0.6
275.05594	0.2
285.03931	1.4
285.07532	0.7
285.10736	0.2
286.04483	0.2
287.05490	2.8
288.05865	2.4
289.06024	5.9
299.05408	0.2
302.04294	0.3
303.04959	100.0
304.05304	3.5
315.05054	2.0
315.08517	0.5
316.05841	0.3
327.04947	0.7
329.06683	0.2
336.22751	2.6
339.04919	0.3
339.08496	0.4
339.12164	0.3
341.06537	0.3
345.05936	1.8
353.06635	0.3
355.12030	0.3
357.05811	0.3
367.11554	0.5
369.06018	0.7
369.09961	0.4
371.14978	0.2
381.05887	0.5
381.13339	0.3
385.12683	0.2
387.14355	0.9
399.07059	1.3
399.14368	0.6
417.08130	0.8
417.15378	4.1
417.32248	0.3
435.08542	1.2
435.33273	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
52.28539	0.1
53.03939	0.5
55.01863	0.3
57.03426	0.5
59.04991	0.1
61.02921	0.6
69.03428	1.6
69.68530	0.1
69.68880	0.9
70.03796	0.1
70.06593	0.3
71.04993	0.3
72.08141	0.2
73.02908	0.6
77.03922	0.3
77.70093	0.1
79.05457	0.1
81.03406	0.8
81.07063	0.2
83.04970	0.1
84.08133	0.3
85.02898	3.3
85.06604	0.1
86.03218	0.2
86.06052	0.2
87.04478	0.3
87.26723	0.1
89.03896	0.2
91.03939	0.2
91.05467	2.7
93.06456	0.3
93.07040	4.9
94.07336	0.2
95.04965	1.4
97.02883	2.0
98.97506	0.1
99.04459	0.2
99.08090	0.5
101.00886	0.5
103.04784	0.2
103.05461	3.1
105.04485	0.2
107.04946	0.2
109.02882	0.5
110.06031	0.2
110.07157	0.2
111.04436	0.2
115.03912	0.1
117.09158	0.3
119.01915	2.2
119.04948	0.5
120.02013	0.1
121.02953	0.9
121.06497	100.0
122.03204	0.1
122.06821	2.4
123.04424	0.5
123.05435	0.2
123.07098	0.4
126.06625	0.5
127.02419	0.2
127.03903	1.1
131.01913	0.7
131.04785	0.1
133.03450	0.3
133.06448	0.2
135.04616	0.6
135.10120	0.5
136.06183	0.4
136.07579	0.3
137.02933	0.3
137.04494	0.1
137.05939	0.8
138.09129	36.8
139.03876	0.3
139.09471	0.8
140.03395	0.1
143.01903	2.0
144.01978	0.2
145.03459	0.5
145.04915	0.9
147.01346	0.2
147.03391	0.2
147.04269	0.9
149.02971	0.2
151.07515	0.6
154.08611	0.4
155.01849	0.4
157.03430	0.6
158.03525	0.2
160.06456	0.2
161.02950	2.9
161.06578	0.1
162.03049	0.2
163.02617	0.2
163.03821	1.4
164.04422	0.1
167.06990	0.2
169.03546	0.2
171.05023	0.4
173.03008	0.6
173.06555	0.2
175.04510	0.5
177.04169	0.1
178.01390	0.1
179.01973	0.2
181.03499	0.1
182.08095	0.2
183.04968	0.4
184.05840	0.2
185.02917	0.3
185.06551	0.4
187.04507	0.5
189.06009	0.3
195.04889	0.2
197.02945	0.2
197.06538	0.3
198.06169	0.1
198.98515	0.7
199.08107	0.1
200.07800	0.1
201.05952	0.2
203.03957	0.8
204.04973	0.4
205.05539	0.3
211.04480	0.2
211.06456	0.1
213.06148	0.3
214.09160	0.2
215.07623	0.3
216.99605	0.3
219.01950	0.3
219.07869	0.2
221.05034	1.0
222.05759	0.2
223.06596	0.5
227.04149	0.2
227.07629	0.2
231.03535	0.2
241.07524	0.3
244.06746	0.2
245.05099	0.7
246.05859	0.4
247.06516	0.3
257.04871	0.2
259.06619	0.4
271.06558	0.2
272.03897	0.2
273.08072	0.7
275.05835	0.2
275.09695	0.2
287.05557	0.2
287.09601	0.5
288.05762	0.3
290.04993	0.2
291.09280	0.2
293.10638	0.4
301.01785	0.2
305.07364	0.2
305.10706	0.4
316.12335	0.5
319.08743	0.2
319.12311	0.2
335.08167	0.2
337.09711	0.2
367.10803	0.2
375.05997	0.7
385.85202	0.1
433.60535	0.2
434.10641	0.2
434.15872	0.4
435.07733	0.4
435.14188	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01853	0.6
55.05470	0.4
57.03419	1.6
61.02913	2.3
69.03073	0.4
69.03419	6.7
69.63821	2.4
71.04972	1.0
73.02895	1.3
75.72515	0.4
81.03400	2.5
85.02888	12.9
85.06516	0.7
86.03216	0.5
86.09653	0.3
87.04452	2.0
91.03945	1.0
91.05470	2.5
93.07024	4.4
95.04949	1.4
97.02879	6.6
99.04457	1.7
101.00870	1.2
101.05977	0.5
103.05447	3.2
104.07130	0.6
105.96457	0.3
109.02873	1.8
113.00862	0.6
115.02393	0.8
117.04007	0.3
119.01906	3.1
121.06484	100.0
122.06814	3.3
125.06290	0.5
127.03883	4.9
127.60594	0.4
129.03894	0.5
131.01904	1.9
133.03426	2.1
135.04955	0.3
136.06195	0.6
137.04561	0.8
137.05933	1.8
138.09114	33.2
139.02409	0.4
139.04143	0.5
139.09465	1.5
143.01866	1.6
145.03468	1.6
145.04927	4.6
146.05049	1.0
147.04993	0.8
153.05724	2.2
154.08633	0.9
155.01875	1.9
157.03452	1.5
159.04997	1.4
161.02968	2.0
161.05515	1.1
161.06641	0.4
162.06276	1.5
163.02673	0.4
163.04558	0.5
165.06076	0.3
169.03426	0.8
170.06087	0.8
171.04897	2.0
173.02959	2.4
173.06651	1.1
175.03116	0.4
175.04549	1.2
177.06023	0.8
183.05014	1.3
185.02950	0.7
185.06622	0.9
187.01019	0.4
187.04501	0.8
189.02423	0.4
189.06067	1.3
199.04532	0.7
201.06027	1.8
203.04060	1.3
203.07690	1.2
206.08929	0.7
206.58980	0.5
211.04320	0.4
213.06023	0.7
215.00327	0.8
215.07623	1.1
219.01874	0.8
219.07043	0.9
220.08717	0.5
221.04988	3.9
223.04770	0.4
227.07642	0.8
228.08450	0.5
231.03506	0.6
231.07072	0.6
234.08290	1.0
242.08183	1.0
243.07413	0.6
245.05046	1.3
245.08832	0.4
247.03030	0.6
247.06604	0.5
251.02420	0.7
257.05261	0.6
259.06705	2.7
260.06631	0.5
261.08176	1.4
264.07813	0.4
273.08020	0.8
275.09753	0.5
279.09146	2.3
286.60675	0.5
287.11700	2.3
287.61707	0.8
288.09348	0.4
291.05994	0.4
291.09247	1.5
295.11273	0.4
300.10468	1.1
301.11267	1.2
303.09369	1.0
305.10757	3.4
306.10983	0.9
307.08478	0.7
308.09836	0.7
309.10373	0.8
315.10800	0.4
316.08997	0.6
319.08643	0.8
320.08920	0.4
321.10291	4.3
322.10468	0.9
335.08136	0.6
361.02380	0.7
375.03665	0.5
381.12463	0.4
392.09586	0.7
393.09464	0.5
395.13803	0.5
434.16293	0.4
435.09509	3.5
453.14215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
57.03429	9.5
57.88556	0.5
61.02915	3.7
62.41335	0.4
65.90890	0.4
69.03071	0.6
69.03420	9.6
70.68633	1.5
71.01324	0.9
71.04963	1.0
73.02905	19.3
79.05466	0.7
81.03394	2.4
85.02892	30.6
86.03213	0.6
87.04453	2.3
89.41530	0.5
91.03937	1.1
93.07041	0.5
95.04928	0.6
97.02874	15.9
99.04415	1.5
103.03939	0.6
105.03348	0.7
105.07002	7.7
107.04935	0.6
109.02887	2.7
111.00765	0.9
115.03908	14.7
119.08532	0.7
121.02818	2.3
121.10130	0.6
122.03128	0.8
126.02254	0.4
127.03904	9.8
132.06532	1.0
133.04945	4.7
135.04439	0.5
137.02289	0.9
145.04935	15.2
146.05388	0.5
147.04362	0.7
147.07985	0.9
150.07562	1.9
153.01791	4.2
154.02127	1.8
162.07515	0.6
163.06000	9.6
165.01839	1.7
166.02155	0.9
167.07021	0.8
181.04924	2.1
183.02878	1.2
184.03163	0.6
185.06134	0.7
193.04936	0.5
201.09085	0.8
213.05365	0.8
214.05830	0.8
219.10188	1.2
223.05983	1.4
231.02803	0.7
232.06795	0.5
233.08052	1.1
237.11066	0.5
241.07010	2.0
242.05260	0.8
249.75726	0.5
251.46996	0.4
255.12001	0.6
258.05252	0.6
259.05536	1.1
259.08078	2.1
285.13263	3.8
287.05457	44.6
288.05789	100.0
289.05994	6.6
295.10214	2.8
302.16129	0.8
417.15396	0.7
427.50668	0.5
434.11478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.01863	2.3
57.03431	40.5
60.04530	1.7
61.02917	15.3
69.03419	36.1
70.29205	4.4
71.01340	5.4
71.04985	1.7
73.02909	100.0
79.05488	2.6
81.03404	4.9
84.05578	1.0
85.02896	70.9
86.03262	0.9
87.04462	3.8
91.03961	4.0
97.02882	70.6
98.03233	1.2
98.06046	1.0
99.04462	1.1
103.03926	1.1
105.03389	3.6
109.02858	5.9
115.03918	71.7
123.04416	14.0
126.05531	0.9
127.03905	27.9
132.06560	2.3
133.04950	21.2
144.06555	8.6
145.04944	38.4
149.02271	1.3
150.07639	5.6
162.07588	6.2
163.05992	15.4
180.08632	6.4
187.32457	1.0
193.04930	2.1
195.32452	1.1
196.83037	0.9
211.06024	1.7
219.06514	2.9
219.74892	0.9
223.05968	7.5
241.07019	8.7
259.08176	6.9
276.10867	1.7
285.09732	4.5
294.11789	3.6
295.10287	2.5
312.12711	1.0
394.43130	1.0
398.38892	1.0
457.74567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97725	1.0
53.03934	2.2
55.01864	5.1
57.03174	1.8
57.03426	17.7
59.04992	1.3
61.02919	14.0
69.03419	29.1
69.89015	6.5
71.01337	3.8
71.04962	2.9
73.02904	79.8
81.03401	6.8
85.02891	100.0
87.04459	4.6
91.03943	5.2
97.02872	57.0
99.04443	5.6
103.03904	3.5
105.06289	1.6
105.07006	27.1
106.07385	1.6
109.02872	8.0
114.59242	1.1
115.03917	26.9
116.04272	1.3
127.02947	1.8
127.03896	36.1
129.07030	1.9
132.06561	1.3
133.04939	30.7
145.04930	48.6
147.08008	2.2
148.45219	1.3
150.07620	4.9
159.08049	1.8
163.05989	29.8
180.72476	1.2
189.08972	1.3
193.04836	1.5
201.09000	5.5
217.07040	1.5
219.10120	3.8
223.06013	4.8
231.10133	1.8
241.06984	6.9
255.12219	2.9
259.08093	12.0
277.09225	2.7
285.13214	6.3
287.05411	9.0
288.05783	19.1
289.06110	1.7
295.10263	5.8
302.16101	1.8
353.10089	1.4
434.20129	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	433.3095
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
50.07402	0.8
53.03925	2.0
55.05500	5.0
56.82880	0.9
57.03425	1.1
57.07068	1.3
62.16580	0.9
66.45374	1.0
67.05493	7.5
69.07058	8.0
71.04984	2.0
71.62612	0.9
71.63068	1.5
79.05482	7.8
81.07043	12.5
83.08601	5.0
85.02916	1.4
91.05469	10.5
93.07037	12.0
95.04944	2.8
95.08596	16.6
97.10154	2.2
99.04449	0.9
103.68936	0.8
105.07017	24.9
106.07391	1.0
107.08577	22.3
109.06498	1.7
109.10152	8.2
114.35119	0.9
115.05427	1.3
117.07007	4.6
119.08565	36.2
121.02843	2.4
121.06424	1.5
121.10126	12.6
121.18504	0.9
123.11678	3.3
125.09634	0.9
128.06213	2.9
129.06972	6.3
131.08539	16.0
133.10112	19.8
135.08054	1.7
135.11655	4.9
141.06989	2.2
142.07774	4.2
143.08536	10.8
144.09296	1.8
145.06493	1.4
145.10109	22.1
147.11667	15.7
149.13225	4.8
153.01810	3.3
153.64265	1.1
155.08528	7.2
156.09319	7.8
157.10104	21.9
158.10880	2.3
159.11662	18.3
161.13249	10.7
163.14818	5.0
165.01816	1.6
167.08556	3.2
168.09401	2.0
169.10101	11.4
170.10873	6.5
171.11662	19.8
172.12360	1.4
173.09760	1.5
173.13255	23.1
175.14809	12.7
177.16348	5.4
179.08485	1.3
179.10678	1.1
181.10123	2.8
182.10895	4.5
183.11685	14.3
184.12462	4.1
185.13223	19.4
187.14807	16.1
189.12756	1.5
189.16367	13.0
193.10019	1.0
195.11700	6.5
196.12463	2.7
197.13240	31.6
198.13733	2.0
199.14793	43.2
200.15097	1.4
201.16394	13.1
203.17950	4.1
207.11696	1.9
209.13261	3.8
211.14778	15.5
213.05431	1.6
213.16370	11.9
215.14372	2.7
215.17953	6.3
217.19446	2.4
221.13263	2.2
223.14778	2.9
225.16356	6.6
227.17917	5.0
229.19577	3.1
231.17442	1.8
235.14796	2.6
237.16348	3.6
239.17886	4.8
241.19463	2.6
247.17088	2.0
249.16231	1.4
251.17950	3.5
253.19426	2.4
257.15295	1.2
258.05203	1.3
259.16986	3.7
263.17880	3.0
265.19574	2.6
279.21075	2.0
285.18552	1.3
287.05457	94.1
287.20001	1.4
288.05762	9.4
289.19443	1.4
291.21069	2.8
297.18655	2.9
299.20145	1.8
313.21844	1.4
317.22726	1.4
318.94666	1.0
323.20096	1.5
331.24191	2.4
341.24792	1.2
345.25702	1.1
359.26733	1.1
363.23294	2.7
373.23410	1.0
387.30386	17.3
389.32013	4.2
405.31772	2.8
415.29752	2.0
433.30994	100.0
434.31366	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	434.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.6
57.03430	22.8
59.04995	2.7
60.04516	1.5
61.02919	15.2
67.08585	1.0
68.33713	1.1
68.59331	1.0
69.03419	31.9
69.92091	6.1
69.92421	1.2
70.92892	1.0
71.01345	4.3
71.04982	1.8
73.02910	100.0
79.05482	4.2
81.03411	5.8
83.01292	1.4
85.02894	89.0
87.04463	4.9
91.03941	4.7
92.05014	1.2
95.04950	1.5
96.04473	1.8
97.02882	71.8
98.20743	1.6
99.04465	3.9
103.03915	3.9
105.03367	4.7
109.02863	7.4
110.06024	3.8
115.03916	40.3
122.39014	1.2
123.04417	14.1
126.37745	1.2
127.03903	31.8
133.04948	57.2
138.05479	1.2
144.06558	5.1
145.04945	43.4
150.07597	5.6
156.06544	2.6
162.07605	4.9
163.03908	3.4
163.06007	21.2
180.08638	6.3
193.05022	2.0
199.06041	1.7
202.67134	1.2
217.07104	1.7
219.06468	5.5
223.06001	7.8
226.77650	1.0
241.07028	9.2
255.08617	1.2
259.08075	10.5
262.21671	1.3
276.10846	1.8
277.09137	5.0
285.09680	2.1
294.11801	3.6
295.10193	3.7
312.12787	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01869	7.4
55.05503	25.6
57.03432	6.8
57.07062	1.3
59.04979	0.8
63.76952	0.6
65.03924	3.2
67.05495	30.1
69.03416	4.4
69.07062	11.2
70.60036	2.7
71.04979	3.9
71.86406	0.6
74.52388	0.7
75.04465	0.8
77.03909	0.9
79.05481	36.8
81.03399	6.6
81.07047	29.4
83.04970	5.1
83.08603	13.0
85.02885	1.5
85.06535	3.4
91.05466	28.2
93.03394	0.7
93.07025	26.1
93.07612	1.3
95.04952	25.0
95.08595	17.1
96.44725	0.9
97.02888	0.8
97.06525	4.8
97.10157	17.5
99.04432	1.0
99.08064	1.3
101.06052	0.8
103.05454	3.3
105.03370	3.5
105.07020	25.7
106.98039	0.7
107.04936	12.6
107.08577	19.2
109.02859	1.7
109.06490	5.2
109.10139	9.1
111.00826	0.7
111.04407	1.5
111.08060	2.5
115.05442	3.0
116.06219	1.4
117.06997	13.9
119.04919	2.5
119.08566	13.5
121.02839	3.0
121.06487	15.5
121.10120	15.2
123.04361	1.3
123.08035	6.3
123.11732	1.2
125.09616	12.8
128.06190	4.6
129.04561	0.7
129.05455	2.2
129.06985	18.5
130.07713	0.9
131.04918	7.8
131.08543	21.3
131.09506	1.7
132.05682	0.8
133.06483	7.9
133.10112	7.2
135.04388	1.8
135.08046	8.5
135.11714	4.0
137.05981	1.2
137.09550	1.6
137.13206	0.7
141.06972	7.8
142.07745	1.6
143.08549	12.7
144.09395	1.2
145.06459	16.9
145.10110	12.8
146.10414	0.7
147.04390	2.3
147.08025	8.5
147.11659	3.3
147.27504	0.7
149.09595	19.7
149.10725	1.5
149.13231	1.4
151.07527	0.9
151.11160	0.8
151.38577	0.8
153.01796	3.4
153.06964	1.9
153.09091	2.4
154.07758	1.7
155.05914	0.8
155.08514	6.5
156.09193	0.9
157.06464	4.1
157.10094	6.0
159.08037	7.7
159.11661	8.4
161.05948	1.3
161.09586	3.5
161.13231	2.9
163.11134	4.6
163.14769	1.0
163.33313	0.7
165.01794	1.6
165.06981	1.7
166.07635	1.1
167.07225	0.7
167.08528	4.0
167.10567	1.0
168.09319	1.0
169.06488	1.7
169.10089	10.5
170.10805	0.8
171.08093	4.2
171.10112	1.8
171.11641	16.4
173.09569	6.2
173.13197	1.3
175.11177	3.2
177.09058	1.0
177.12711	2.1
178.07671	0.8
179.08627	1.5
179.10600	0.7
181.06519	1.0
181.10115	4.1
183.08029	2.2
183.11641	4.4
185.09593	3.2
185.13263	3.9
187.11159	7.5
189.09146	3.0
189.11186	8.1
189.12741	11.2
191.10574	1.1
193.10097	2.2
193.12202	2.2
195.10101	1.0
195.11694	3.1
197.09599	3.0
197.13258	2.7
199.11089	3.4
199.14812	1.5
201.12732	3.0
203.10634	2.0
203.14212	1.9
205.12204	5.4
207.06444	1.0
207.11694	1.5
209.13185	1.8
211.11192	6.1
211.14708	1.3
212.12048	1.2
213.05423	1.6
213.12738	3.2
215.10651	3.4
215.14433	1.5
217.12157	1.1
219.11671	0.8
219.13780	1.0
221.13377	1.3
223.11282	1.5
223.13121	4.7
225.12746	3.4
227.12556	5.5
227.14694	1.2
229.12213	3.8
231.13794	3.2
235.14632	1.1
237.12823	1.0
237.18404	0.9
239.14398	1.2
241.05054	1.0
243.13782	4.2
245.13580	1.1
247.13222	1.2
249.14824	1.6
257.15286	3.4
258.05228	0.9
261.14810	1.3
267.15936	2.5
271.06009	1.2
273.14822	2.3
275.16428	1.3
277.19489	0.8
287.05457	91.6
288.05786	6.7
295.20517	3.1
297.16937	1.5
305.18948	2.3
313.18121	1.1
313.21536	6.3
317.17432	1.3
317.21054	1.0
321.16992	1.3
323.20020	19.8
323.23801	1.1
331.22632	1.4
335.18420	1.2
341.21060	87.2
342.21304	3.1
343.22488	1.1
352.15500	0.9
359.22128	8.3
377.22714	1.0
379.22525	2.2
389.22794	1.0
397.23639	3.3
397.31100	0.9
415.24695	43.8
416.24985	2.2
433.25787	100.0
433.30432	3.8
434.26108	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	433.2345
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
51.11674	1.0
53.03922	1.8
55.01863	1.5
55.05504	10.4
57.03430	10.2
57.07079	4.4
57.71913	0.8
65.03950	1.5
67.05497	47.4
69.07056	12.5
71.04974	2.1
71.08624	1.2
71.62783	0.9
71.63210	1.9
75.04475	0.9
79.05483	28.0
81.03384	0.8
81.07049	54.7
83.04951	2.0
83.08614	5.9
85.06523	1.7
91.05466	15.7
93.07032	38.2
95.04964	3.2
95.08597	40.3
97.06503	2.7
97.10116	1.8
98.98453	65.1
99.08067	2.5
101.17168	0.9
105.07014	13.7
107.08586	24.4
109.06488	1.0
109.10144	22.6
111.08064	2.6
116.99540	1.4
117.07004	4.8
119.08543	12.8
121.02831	1.3
121.10126	20.8
123.08060	1.7
123.11708	9.1
125.09660	0.9
129.05408	1.6
131.08548	9.2
133.10114	9.3
135.11688	13.2
137.09634	1.8
137.13231	3.2
139.11142	1.1
143.06999	1.7
143.08649	1.0
145.10100	9.9
147.11691	7.3
149.13240	11.4
151.14787	2.0
153.01816	2.8
153.09106	1.1
155.01042	9.8
157.10081	1.4
159.11678	8.6
161.13257	5.3
163.11113	2.2
163.14799	7.8
165.01820	1.0
165.30804	1.1
171.11714	2.2
171.33546	0.8
173.02100	10.8
173.13234	6.2
175.14867	3.3
177.16318	2.6
184.07324	2.4
187.11162	0.9
187.14795	5.5
191.14183	1.4
197.13377	1.0
199.14851	1.5
201.16434	2.1
233.22609	1.7
243.21024	13.2
260.55753	0.9
261.22116	45.2
262.22537	2.1
271.06012	1.5
277.21506	1.3
279.23053	1.3
287.05460	58.5
288.05753	3.7
300.38962	0.9
317.15811	1.1
317.24759	8.8
335.25757	100.0
336.26196	4.4
337.09940	0.9
387.30530	1.4
415.22421	2.8
433.25198	1.3
433.30835	8.3
433.36774	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16756	1.0
53.03925	1.8
55.01867	1.4
55.05512	7.8
57.03416	7.5
57.07054	3.0
57.26438	1.0
58.70970	1.0
60.95672	1.4
67.05496	42.0
69.03394	1.4
69.07069	9.2
71.04975	2.3
71.08608	1.3
71.62991	1.8
71.63403	1.7
71.63760	1.3
75.04459	1.5
79.05047	1.7
79.05482	21.3
81.07050	44.0
83.04940	1.2
83.08620	6.4
85.06508	1.8
86.09686	3.0
91.05478	16.8
93.07034	38.9
95.04951	3.3
95.08596	36.7
95.09106	0.7
95.09216	1.2
97.06506	2.4
97.10145	2.8
98.98456	76.2
99.08085	2.4
105.07020	14.9
107.08577	26.9
109.06487	1.9
109.10144	14.6
109.21427	1.2
111.08070	1.5
116.99485	2.9
117.06998	5.5
119.08577	15.0
121.02826	2.8
121.10129	21.7
123.08038	1.8
123.11703	8.7
129.06966	1.2
131.08563	12.7
133.10115	12.6
135.08012	1.8
135.11670	17.4
137.09534	1.6
137.13179	3.1
140.01050	1.7
142.62758	1.1
143.08479	4.4
145.10118	10.4
147.11662	8.0
149.13242	12.5
151.14755	1.6
153.01746	2.1
155.01004	22.4
157.10095	2.9
159.11670	11.2
161.13223	6.6
163.14787	8.3
165.01849	2.4
169.10161	1.5
171.11670	2.0
173.02043	12.7
173.13255	9.7
175.11069	1.4
175.14763	2.1
177.12711	1.3
177.16339	3.0
179.14308	1.7
183.11734	1.9
184.07344	2.2
185.13208	1.4
187.14764	4.2
195.11696	1.4
195.47191	1.5
197.13261	1.7
201.16333	2.7
209.13242	1.7
211.14824	1.7
213.05466	1.7
215.17830	1.8
221.13345	1.7
229.15977	1.3
233.22495	2.7
243.21063	18.8
259.06091	1.7
261.22110	57.3
262.22488	1.8
287.05463	100.0
288.05884	9.1
307.23956	1.7
317.24786	6.4
335.25793	39.9
336.26007	1.7
387.30179	1.6
394.44495	1.4
415.22473	9.1
415.30527	1.7
415.35614	2.6
433.23358	1.7
433.30789	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	433.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03403	0.4
67.05508	0.3
69.03415	1.3
69.07026	0.3
69.57281	1.0
69.57700	1.5
70.06554	0.5
71.04953	0.4
72.08140	0.7
73.02901	0.8
80.08148	0.3
81.03406	0.8
81.07030	0.5
81.93215	0.3
83.04948	0.3
83.23214	0.3
85.02895	1.2
86.06020	0.3
86.09667	0.5
91.02792	0.3
91.05456	0.7
95.04996	0.6
97.02903	0.8
99.04441	0.5
105.07038	0.6
107.04939	0.5
107.08575	0.5
107.77959	0.3
109.02899	0.5
110.21215	0.3
111.04441	0.5
116.98499	0.3
119.04922	0.3
119.08537	0.6
121.02853	2.6
121.06480	0.5
123.04449	1.0
125.06001	0.6
125.09635	0.5
127.03932	0.8
127.04915	0.3
131.08549	0.8
135.04414	0.5
135.08040	0.4
137.02267	0.6
137.05988	0.5
137.09637	0.4
138.05458	0.3
139.03896	0.8
142.72757	0.3
143.10648	0.9
147.04402	1.2
149.09526	0.4
151.03864	1.6
163.03905	1.5
167.07036	0.4
173.13043	0.4
179.07033	0.4
181.04994	0.7
191.03358	0.4
197.08073	0.5
235.16948	0.6
259.07797	0.5
261.04025	0.3
271.05991	4.7
271.11523	6.3
280.63187	0.3
287.05450	4.9
288.05914	0.4
343.10031	0.4
401.14240	0.6
433.16745	100.0
434.17130	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.6
50.75182	0.4
51.02374	0.7
53.03941	4.9
54.04125	0.4
55.01862	1.0
57.03431	2.5
59.04989	0.7
61.02906	1.4
67.05481	1.5
69.03422	9.8
70.68108	1.5
71.04990	2.2
73.02905	0.9
75.04453	0.7
77.03891	0.9
79.05485	7.7
81.03407	7.9
81.07031	1.0
83.04981	2.6
85.02891	17.5
85.06529	0.6
87.04442	0.6
89.06007	1.3
91.05469	0.7
93.07023	0.6
95.04962	6.3
97.02888	4.0
97.06510	0.7
99.04450	1.5
103.15657	0.4
105.03378	100.0
105.06996	1.1
106.03715	1.3
109.02878	5.8
111.04400	0.6
113.05975	3.0
118.84404	0.4
119.04903	0.6
121.02870	1.0
123.04418	22.0
123.11667	0.6
124.07611	0.5
127.03905	8.8
131.07021	5.6
135.04442	0.7
137.02342	1.4
137.05975	0.9
145.04953	2.2
147.04419	0.8
148.04803	0.5
149.08104	2.5
165.05537	0.6
165.53827	0.5
167.09157	2.7
167.10446	0.4
179.06984	0.6
231.06560	2.1
249.07553	7.5
267.08606	28.7
268.08987	0.8
287.05508	6.4
313.69983	0.5
415.10168	0.6
433.11282	1.3
433.16290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22425	0.1
53.03913	0.1
55.01837	0.1
57.03405	0.1
65.03931	0.2
68.99777	0.4
69.03402	0.2
70.06528	0.1
71.04969	0.3
71.05739	0.2
71.06081	0.1
71.44127	0.1
72.49569	0.1
79.05479	0.3
81.03411	0.1
84.91979	0.1
85.02890	0.6
91.05457	0.1
91.17329	0.1
93.03386	0.1
95.04935	0.2
95.08588	0.1
97.02872	0.2
105.03356	0.4
105.07008	0.1
107.04958	0.4
109.02859	0.3
111.00800	0.7
115.05414	0.1
121.02853	2.5
127.03859	0.1
129.05446	0.2
129.06978	0.1
133.02821	0.4
133.06396	0.1
135.04393	0.3
137.02298	0.8
141.06979	0.1
145.06476	0.2
147.04387	0.6
153.01814	3.9
153.05424	0.1
157.06442	0.3
161.05956	0.3
165.01819	1.7
167.06996	0.2
171.02924	0.1
171.04411	0.2
171.06499	0.1
173.05952	0.1
175.03865	0.1
181.04918	1.0
183.02876	0.9
185.05957	0.4
189.05379	0.2
191.08113	0.1
193.08502	0.1
197.05980	0.2
203.03310	0.1
203.06937	0.1
213.05441	1.2
221.08063	0.3
226.38602	0.1
231.06494	0.7
241.04916	0.9
243.06395	0.1
249.07458	0.2
258.05188	1.1
259.06058	0.4
269.04468	0.2
285.98431	0.1
287.05457	100.0
288.05786	2.5
403.13831	1.1
416.01151	0.1
433.10974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.5
67.05489	0.4
69.03414	0.5
70.06572	0.3
71.61916	0.4
72.08144	0.4
81.03407	0.6
84.04472	0.4
85.02894	1.4
86.09694	0.6
95.04947	0.6
97.02857	1.2
98.98406	0.5
109.02882	0.4
109.06450	0.4
110.07142	0.4
111.04464	0.3
113.05984	1.1
121.02856	1.7
123.04399	0.8
123.08068	0.3
124.03905	0.8
127.03918	0.7
137.02383	0.3
139.03838	0.4
145.04955	0.4
147.04411	0.6
151.07524	3.8
163.03868	0.5
177.05394	0.5
256.99704	1.0
259.07840	0.9
271.05908	0.7
271.11508	1.4
272.09457	0.4
287.05435	3.8
291.42340	0.4
313.12784	1.1
327.01721	0.5
343.10022	0.4
362.86810	0.4
369.11139	0.5
373.02332	0.9
401.14014	1.3
433.16736	100.0
434.17175	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	433.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75588	0.1
55.01841	0.1
57.03424	0.2
62.10260	0.1
62.64259	0.1
64.42604	0.1
67.05484	0.2
68.99769	0.5
69.03397	0.2
69.07045	0.3
69.87595	0.2
69.88007	0.4
71.04974	0.5
75.83538	0.1
79.05479	0.3
81.03391	0.2
81.07035	0.4
83.04924	0.1
85.02876	0.6
85.06513	0.2
91.05486	0.2
93.07021	0.3
95.04937	0.3
95.08575	0.2
97.02900	0.1
97.06481	0.1
99.04436	0.1
102.67359	0.1
103.05408	0.1
105.03356	0.3
105.06991	0.4
107.04935	0.4
107.08572	0.3
109.02842	0.3
109.10136	0.3
111.00771	0.7
111.08035	0.2
119.08548	0.2
121.02844	2.6
121.10087	0.1
125.09624	0.1
127.03851	0.2
128.43593	0.1
129.06938	0.2
131.08517	0.2
133.02818	0.4
133.10089	0.2
135.11646	0.1
137.02341	0.8
137.09592	0.4
145.06448	0.3
145.10097	0.1
147.04391	0.6
147.11624	0.4
149.09610	0.2
149.13176	0.1
153.01801	4.1
157.06439	0.6
157.10066	0.1
157.51503	0.1
159.10162	0.2
159.11464	0.1
161.05956	0.1
161.13200	0.1
164.06975	0.1
165.01807	2.0
165.09065	0.3
165.12691	0.1
167.10680	0.1
171.04359	0.3
175.03932	0.1
175.07529	0.1
183.02840	1.0
185.06021	0.5
189.05389	0.1
189.16391	0.1
197.05975	0.2
201.16367	0.1
203.06970	0.2
207.06480	0.1
213.05411	1.8
217.15851	0.2
231.06480	0.7
235.16859	0.2
241.04880	0.9
253.17928	0.3
258.05191	1.2
259.05991	0.5
269.04425	0.3
271.05923	0.9
273.86041	0.1
287.05435	100.0
288.05771	2.9
288.22012	0.1
312.65771	0.1
333.28818	0.1
387.18515	0.1
415.10031	0.1
428.01077	0.1
433.10641	0.6
433.20355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03926	0.1
55.05465	0.1
60.96179	0.1
65.03920	0.1
67.01849	0.1
67.05483	0.1
68.99765	0.4
69.03402	0.1
69.07031	0.1
70.17393	0.2
71.04991	0.4
71.05329	0.1
77.99090	0.1
78.97858	0.0
79.05468	0.2
80.44058	0.0
81.03407	0.1
81.07020	0.1
83.04961	0.1
83.84077	0.1
85.02892	0.5
91.05451	0.1
93.07033	0.1
95.04938	0.2
95.08566	0.1
98.21484	0.1
103.05428	0.1
105.03362	0.3
105.06978	0.1
107.04951	0.3
107.08591	0.1
108.57911	0.1
109.02831	0.2
109.10131	0.1
111.00792	0.7
111.04420	0.1
115.05476	0.1
119.04897	0.1
119.08558	0.1
121.02843	2.5
121.06448	0.1
121.10125	0.1
123.11643	0.0
127.03883	0.1
129.05457	0.1
129.06982	0.1
133.02838	0.5
133.06490	0.1
133.10112	0.1
135.04391	0.1
137.02318	0.9
141.06943	0.1
145.06461	0.2
147.04387	0.5
151.03877	0.1
153.01804	3.7
154.02122	0.1
157.06465	0.4
161.02174	0.1
161.05946	0.2
165.01807	1.6
166.02411	0.1
167.06978	0.1
169.06404	0.1
171.02997	0.1
171.04387	0.2
175.03941	0.1
181.04953	0.5
183.02870	0.9
185.05942	0.5
189.05408	0.1
193.08472	0.1
197.05952	0.1
203.03363	0.1
203.07039	0.2
213.05446	1.3
217.04948	0.1
221.08000	0.1
229.04912	0.1
231.06462	0.7
241.04932	0.9
242.05742	0.1
242.93146	0.1
243.06500	0.2
249.07680	0.1
253.18044	0.1
258.05215	1.2
259.05963	0.5
269.04379	0.1
270.05042	0.1
286.04639	0.1
287.05444	100.0
288.05783	2.7
341.21097	0.1
403.13763	0.3
433.11066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
55.05508	0.3
57.03432	3.6
57.03704	0.5
68.99782	0.6
69.87756	0.3
70.74021	0.8
70.74389	0.3
71.04985	26.5
73.02876	0.4
75.04478	0.6
83.04980	0.8
85.02896	26.0
87.04454	0.6
92.22552	0.3
95.04930	0.3
109.02875	0.4
111.00793	0.7
111.04396	0.7
121.02856	2.7
129.05467	7.2
133.02859	0.4
137.02332	0.4
147.04382	0.5
147.06485	1.0
153.01813	3.2
165.01816	1.7
183.02916	0.6
185.05972	0.9
213.05450	1.3
231.06451	0.5
241.04932	0.6
258.05219	1.0
259.06146	0.3
269.04413	0.4
287.05469	100.0
288.05728	3.1
379.07941	0.3
433.11053	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62934	0.1
53.48174	0.1
57.83615	0.1
62.01360	0.1
68.99792	0.5
69.89724	0.8
71.04978	0.4
80.63184	0.1
85.02885	0.5
98.20826	0.2
105.03309	0.2
107.04945	0.2
109.02848	0.2
111.00798	0.7
115.98727	0.1
118.04417	0.1
121.02854	2.2
127.03945	0.1
133.02824	0.5
137.02345	0.9
145.06474	0.2
147.04382	0.4
149.98174	0.1
153.01811	3.5
157.06483	0.4
159.63892	0.1
161.05949	0.1
165.01836	1.9
171.04408	0.2
171.19127	0.1
183.02869	0.9
185.05968	0.4
197.05988	0.2
213.05450	1.1
229.04759	0.1
231.06462	0.8
241.05002	0.6
258.05240	1.0
259.06049	0.5
269.04401	0.2
287.05460	100.0
288.05807	3.2
425.97620	0.1
433.11255	0.9
435.96130	0.1
449.38553	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16635	0.1
55.05494	0.1
56.16037	0.1
56.80823	0.1
57.07060	0.1
63.03179	0.1
65.03914	0.1
67.05459	0.1
68.99778	0.5
69.03414	0.1
69.07039	0.2
70.97698	0.1
71.04972	0.4
78.99899	0.1
79.05463	0.2
81.03393	0.1
81.07037	0.2
83.04974	0.1
85.02902	0.4
85.06539	0.1
91.05429	0.1
93.07021	0.1
95.04930	0.2
97.02839	0.1
97.06481	0.1
103.05457	0.1
105.03339	0.3
105.07005	0.1
107.04944	0.4
107.08564	0.2
109.02833	0.2
109.10137	0.1
111.00784	0.8
111.04405	0.1
115.05431	0.1
116.61894	0.1
119.08536	0.1
121.02844	2.8
121.10082	0.1
125.09572	0.1
127.03907	0.1
129.05461	0.1
129.06984	0.1
133.02835	0.6
133.10115	0.1
135.04369	0.2
135.07964	0.1
136.07571	0.1
137.02325	0.8
137.05911	0.1
137.78226	0.1
141.06975	0.1
143.10600	0.1
145.06448	0.3
145.10066	0.1
147.04381	0.6
147.11644	0.1
149.02292	0.1
153.01801	4.0
157.06454	0.4
161.05984	0.2
165.01810	2.0
165.37085	0.1
169.06522	0.1
171.04408	0.2
173.05872	0.1
175.03828	0.1
179.03423	0.1
183.02864	0.9
185.05933	0.5
189.05479	0.2
197.05846	0.1
199.03949	0.1
201.05418	0.1
203.03401	0.1
203.07001	0.2
213.05424	1.6
214.06018	0.1
217.04852	0.1
231.06432	0.8
235.16713	0.1
241.04898	1.0
243.06340	0.1
253.17906	0.2
258.05170	1.2
259.05960	0.5
269.04303	0.2
270.05066	0.1
287.05441	100.0
288.05774	3.3
338.68561	0.1
425.47125	0.1
433.11224	0.7
433.16357	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.112
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03402	0.1
59.03026	0.0
65.03925	0.1
66.64569	0.0
67.01837	0.1
68.99764	0.6
69.03419	0.1
70.96099	0.1
71.04984	0.4
79.05478	0.2
85.02888	0.5
94.04160	0.0
95.04944	0.1
103.05457	0.1
105.03351	0.4
107.04951	0.3
109.02852	0.2
111.00779	0.7
111.04414	0.1
113.51712	0.0
115.05497	0.1
121.02834	2.7
121.06498	0.1
127.03873	0.0
129.05429	0.1
129.06964	0.1
129.62166	0.0
133.02837	0.5
135.04385	0.2
137.01326	0.1
137.02318	0.9
141.06934	0.1
145.06441	0.2
147.04359	0.6
153.01793	3.9
157.06454	0.4
161.05949	0.2
164.07004	0.0
165.01797	2.0
169.06494	0.1
171.02998	0.1
171.04376	0.3
173.05841	0.0
175.03868	0.1
183.02838	1.1
183.04460	0.1
185.05904	0.6
189.05467	0.1
191.03252	0.1
193.01270	0.1
194.02036	0.1
197.05920	0.2
199.03850	0.1
201.05374	0.1
203.03403	0.1
203.06993	0.2
213.05414	1.6
216.04199	0.1
229.04851	0.1
231.06436	0.7
241.04904	1.0
242.05699	0.1
243.06570	0.1
245.04379	0.1
258.05209	1.1
259.05969	0.5
269.04352	0.2
287.05426	100.0
288.05759	3.3
329.06396	0.1
332.11478	0.1
433.11221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.1
55.01860	0.1
57.03438	0.1
66.77232	0.1
67.01842	0.1
68.99777	0.4
69.03407	0.1
70.77493	0.2
71.04980	0.4
73.02875	0.1
75.55383	0.1
79.05463	0.1
81.03404	0.1
85.02888	0.5
89.79306	0.0
93.07031	0.2
95.04961	0.1
97.02882	0.1
103.05438	0.1
105.03357	0.4
105.07014	0.1
107.04939	0.4
107.08533	0.1
109.02874	0.3
111.00797	0.8
111.04417	0.1
117.33363	0.1
117.58971	0.1
118.06499	0.1
119.04887	0.1
121.02848	2.7
121.10131	0.2
126.10263	0.1
127.03888	0.1
128.92062	0.1
129.05455	0.1
131.08559	0.1
133.02821	0.5
135.04361	0.1
137.02293	0.7
141.06927	0.1
145.05032	0.1
145.06456	0.2
147.04388	0.6
149.09604	0.2
153.01807	3.8
154.02203	0.1
157.06476	0.3
161.05928	0.2
165.01810	1.9
167.10754	0.1
171.04393	0.2
175.03917	0.1
179.03607	0.1
181.04845	0.1
183.02887	0.9
185.05905	0.5
189.05450	0.1
197.05974	0.1
203.07025	0.2
213.05434	1.4
229.04964	0.1
231.06416	0.6
241.04883	0.7
242.05556	0.1
243.06393	0.1
245.04189	0.1
258.05215	1.2
259.05960	0.5
269.04382	0.2
270.04993	0.1
274.88956	0.1
287.05453	100.0
288.05774	2.6
288.10599	0.1
433.11075	0.6
433.16159	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	432.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77892	1.1
53.03936	2.3
54.23973	1.2
55.05495	6.9
55.16063	1.1
57.03416	1.2
57.05533	1.1
57.07068	1.9
61.02912	1.3
67.05495	13.5
69.03410	3.1
69.07049	4.5
70.52186	3.5
71.04980	2.5
79.05479	10.5
81.03419	2.2
81.07043	79.4
83.08601	3.3
85.02875	9.9
91.05453	8.0
93.07025	17.4
95.04947	3.7
95.08589	42.1
95.09078	0.7
95.09218	1.2
97.02877	3.1
97.06489	1.8
97.10155	3.7
99.04425	2.2
105.07012	27.4
107.08573	32.4
109.02824	1.5
109.06498	2.1
109.10143	17.6
111.08053	3.1
113.06004	2.5
117.07021	1.0
119.08563	43.8
120.08852	1.1
121.02815	1.7
121.06458	1.6
121.10121	15.1
123.08029	1.5
123.11681	34.6
125.05981	1.2
125.09574	2.0
126.62601	1.2
127.03889	3.6
131.08522	2.7
133.10109	24.9
135.08049	3.2
135.11670	22.2
136.12451	1.7
137.09572	2.2
139.07501	2.8
145.04947	1.5
145.10126	2.2
146.04485	1.9
147.08006	1.5
147.11673	13.8
149.13217	2.2
151.11180	1.9
153.01723	1.2
153.09100	6.0
157.10075	3.2
159.11638	6.9
161.09589	3.6
161.13223	49.8
162.13654	1.3
173.13158	1.8
175.11192	2.7
175.14824	3.4
179.10626	3.0
189.16348	100.0
190.16718	2.2
199.14752	4.6
217.15820	21.5
235.16881	75.8
236.17232	2.5
287.05457	35.6
396.23337	1.3
415.09540	2.6
433.11057	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
57.03407	1.6
64.30213	0.7
67.05482	1.6
69.03422	7.2
69.07037	1.3
69.57047	4.7
71.01334	0.7
71.04980	2.1
72.24282	0.8
73.02909	1.3
79.05464	2.0
81.03401	6.5
81.07013	2.1
81.25083	0.7
83.04948	2.1
85.02895	25.1
85.06507	1.0
89.03896	2.9
91.05469	17.6
93.07024	3.0
94.07389	0.9
95.04940	1.9
95.08575	2.1
97.02871	8.9
97.06494	1.2
99.04442	10.6
103.03929	23.2
105.03365	1.0
105.07002	2.2
107.08580	2.5
109.02863	7.7
109.10113	1.4
111.04392	0.9
113.05996	0.9
117.02572	1.3
117.03353	10.0
117.05476	1.3
119.08544	3.5
121.02845	3.6
121.10118	2.6
122.10463	1.6
123.04317	0.8
123.11714	1.0
125.05949	1.2
127.03898	29.5
129.06990	0.9
131.08556	1.2
133.10089	3.6
135.04410	0.9
137.02339	1.5
137.09601	1.3
145.02834	33.7
145.04915	14.0
145.06044	0.7
147.04306	1.2
147.11661	1.7
149.05963	3.9
149.09572	2.0
153.01811	3.3
159.11699	1.5
161.09474	0.9
163.03882	1.9
163.06003	15.5
165.01836	1.4
167.10686	0.7
175.14813	6.8
177.05443	85.9
178.05792	2.1
183.02869	1.5
187.05966	1.2
193.15857	5.1
195.06493	1.6
197.04129	0.9
199.07520	1.0
203.07005	1.5
205.07042	3.4
213.05515	1.0
217.08670	1.2
217.15877	0.9
231.06474	1.1
234.15622	0.9
235.09572	2.3
235.16881	2.4
241.11169	0.8
253.10687	2.7
253.99501	0.8
258.05270	1.3
271.05957	3.4
287.05457	100.0
289.09149	2.1
307.10175	5.7
321.09650	4.2
339.10687	8.5
346.66077	0.9
433.11313	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01517	0.4
55.05499	0.5
57.03426	1.2
59.04983	0.7
61.02917	1.0
62.74137	0.4
69.03416	2.1
69.07059	2.4
70.06566	0.9
71.04976	0.7
71.61543	0.6
72.08155	0.6
73.02907	0.7
73.06561	2.3
79.05492	0.8
81.03399	1.6
84.08143	1.3
85.02419	0.6
85.02898	9.5
86.03236	0.4
86.09695	2.0
87.04472	0.7
87.08073	2.0
89.06010	1.2
89.34303	0.4
91.03961	0.7
91.05461	0.8
91.07588	1.3
92.16193	0.4
92.85049	0.4
93.07027	1.8
95.04946	0.6
97.02885	3.1
98.97552	0.8
98.98457	0.6
99.04446	0.6
101.05981	0.7
101.24541	0.4
103.05448	6.0
103.07613	0.5
105.09113	0.9
106.93220	0.5
107.04927	1.8
108.08071	0.7
109.02859	1.3
111.04424	0.5
119.01936	0.7
120.08086	100.0
121.02849	2.1
121.06483	10.1
121.08404	3.0
122.06842	0.7
123.04363	0.6
127.03883	3.1
131.04912	2.9
136.06154	1.4
138.09126	3.5
145.03673	0.6
145.04947	3.2
147.04387	1.2
149.05951	1.5
152.07098	0.5
157.03496	0.4
161.02930	0.7
163.03889	1.3
163.06113	0.6
166.08615	56.6
167.08975	1.3
173.02960	0.5
202.06473	0.5
221.05054	0.7
222.05319	0.7
237.02876	0.9
242.14989	0.6
250.14655	0.4
252.12378	0.5
255.88287	0.4
270.09845	0.5
270.13358	0.5
271.05957	0.6
275.09738	0.7
276.09955	0.7
287.05499	2.8
306.11053	1.2
333.10330	0.6
334.10580	1.2
352.11456	0.8
367.10623	0.5
414.17447	0.7
432.08112	0.6
432.13657	1.5
433.16815	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	432.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01841	0.4
55.05495	0.6
62.92435	0.3
63.02354	0.4
64.29827	0.3
65.03935	0.3
67.05505	0.6
67.94345	0.4
69.03419	1.2
69.07071	0.6
70.92105	0.3
71.04966	0.7
71.62492	0.5
72.08120	0.5
79.05467	0.6
81.03405	1.9
81.07026	1.1
83.04968	0.6
85.02884	1.8
85.06522	0.4
89.03917	3.0
91.05467	1.5
93.07009	0.6
95.04974	0.7
95.08563	0.7
96.04417	0.5
97.02888	1.0
103.05457	0.5
105.03383	1.7
105.07054	0.8
106.02891	2.4
107.04993	0.5
107.08572	0.9
109.02874	1.3
109.10138	0.6
117.03369	12.4
119.04908	3.1
119.08614	0.9
121.02818	0.8
121.06472	1.7
121.10117	0.6
123.04398	1.1
124.03938	6.0
127.03943	0.8
131.08543	1.5
133.10136	0.6
134.03581	0.7
135.04404	1.3
137.02400	0.4
137.05969	0.6
137.09567	0.4
145.02831	42.1
146.03166	0.7
147.04395	13.8
147.11807	0.5
148.04716	0.4
149.05965	5.6
149.07935	0.4
151.03838	0.5
152.06960	0.5
153.01822	1.1
157.10068	0.4
161.05981	0.4
163.03856	0.9
163.11212	0.5
164.07014	0.6
165.01845	0.7
165.26657	0.4
177.05450	100.0
178.05811	2.4
186.05475	1.1
195.06503	2.0
213.05534	0.7
217.15858	1.0
219.10187	0.4
231.06514	0.6
235.13081	0.4
250.07104	1.7
253.10744	2.3
267.08600	0.9
268.08121	2.5
287.05466	35.8
321.09644	1.2
339.10812	3.3
432.12653	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01867	2.6
57.03429	5.6
59.04996	0.6
61.02914	5.9
65.03938	0.8
69.03413	10.1
69.89265	3.3
70.06532	0.6
71.04974	1.4
73.02908	27.0
79.05495	1.2
81.03407	7.2
81.07014	0.8
83.35609	0.5
84.03429	0.5
85.02895	28.5
85.03421	1.3
85.35361	0.5
87.04448	1.6
91.03927	0.9
91.05466	7.3
93.07030	1.7
93.98376	0.5
95.04955	2.0
95.08581	0.6
97.02879	18.5
98.06041	0.6
98.20590	0.5
99.04435	5.1
103.03936	9.0
103.05439	2.5
105.03379	15.6
105.07029	1.0
107.04942	1.5
107.08591	1.0
109.02866	5.4
109.10113	0.8
111.00753	0.6
111.04439	0.5
115.03915	9.0
119.04920	2.4
119.08559	1.0
121.02856	6.0
121.06488	13.2
121.10112	2.3
122.03178	1.3
123.04396	1.8
124.07552	0.8
127.03899	18.5
129.05464	0.6
131.04910	13.3
131.08479	0.6
133.04944	11.5
133.06476	1.1
136.07532	0.8
137.02306	1.3
139.03864	1.4
143.08540	0.7
145.04942	19.1
145.06252	0.8
145.06485	1.2
147.03239	0.7
147.04393	13.6
148.04672	0.8
149.05977	1.0
149.09648	0.6
150.07593	1.9
153.01810	3.6
157.06458	0.9
159.06509	0.9
163.03918	1.2
163.06003	11.3
163.07388	1.0
164.07150	0.8
165.01840	1.6
167.10654	0.6
169.04959	0.6
171.08018	0.6
177.05467	0.7
180.08638	1.2
181.04874	0.7
183.02840	0.8
203.03313	0.5
213.05403	1.6
223.05925	1.6
231.06529	1.0
235.09651	0.7
241.04968	1.1
241.07127	1.7
249.07556	5.6
252.16743	0.5
253.10555	0.7
258.05191	1.7
259.08136	1.5
267.08627	4.1
270.16885	0.6
277.08960	0.8
283.05978	2.1
287.05463	100.0
289.09290	0.9
293.10062	1.0
300.14505	0.7
307.10104	1.6
313.06949	1.9
337.06918	1.8
367.08255	0.6
415.10147	0.8
433.10641	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3515
Annotation	Cerevisterol
Peak:m/z	Relative Intensity
50.78574	0.7
51.69633	0.8
55.05497	4.3
57.03409	0.9
57.07066	24.6
67.01851	1.6
67.05470	3.5
69.06777	0.7
69.07058	8.3
71.08266	1.6
71.08617	14.2
71.44640	1.1
79.05460	1.8
81.07047	10.4
83.04948	2.7
83.08604	6.3
85.10172	9.3
91.05443	2.1
92.41067	1.0
93.07027	5.0
95.08578	7.8
97.10141	4.1
99.11722	1.1
101.07094	0.8
105.07000	1.6
107.08595	1.3
109.06484	3.4
109.10166	5.3
111.08076	1.2
111.11691	2.8
119.08557	2.4
121.06490	2.3
123.08063	3.5
123.11662	1.7
131.08560	1.6
133.06444	2.2
133.10153	1.1
135.07991	2.1
137.05959	15.8
137.09657	0.9
139.07492	4.8
147.08026	2.9
149.05981	4.5
149.09615	1.4
151.07523	33.3
157.10051	1.4
159.08064	1.7
161.05959	4.1
161.09570	3.2
165.05458	10.9
165.09090	12.2
166.09479	1.4
167.07016	100.0
168.07324	2.8
174.06790	1.0
175.07549	6.1
175.11166	2.1
177.09138	4.5
179.07011	6.1
179.10626	3.9
181.08563	4.5
188.08302	1.1
189.09070	7.6
189.12686	2.7
191.07045	2.0
191.10570	2.9
192.07863	1.4
193.08548	9.1
195.10214	1.8
203.10612	7.1
203.95291	0.9
206.38458	1.1
207.10132	11.7
209.11656	0.9
214.42848	1.0
217.12204	5.0
221.11703	5.5
231.13805	2.3
235.13272	2.8
245.15210	1.4
249.14761	2.4
263.16330	1.2
277.17886	1.0
305.21124	1.4
319.22580	1.6
361.27271	1.1
372.11768	1.0
372.19501	1.0
385.34985	1.0
395.33145	1.3
403.35648	2.6
413.33972	6.9
431.35110	65.1
432.35623	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	432.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43654	0.5
53.03922	1.2
55.01861	3.8
55.05504	0.7
57.03426	7.4
59.05001	1.0
61.02917	6.0
69.03067	0.9
69.03415	13.4
71.01340	2.2
71.04969	2.4
71.61735	1.2
73.02906	41.4
79.05463	1.8
81.03410	7.9
81.07034	1.3
83.04977	0.7
85.02892	38.6
85.06555	0.6
87.04445	2.3
91.03925	0.8
91.05460	8.6
93.07053	3.0
95.04944	2.7
96.04481	1.2
97.02876	26.9
99.04456	7.6
103.03926	11.9
103.05415	3.1
105.03379	12.5
105.07018	1.2
107.04940	2.6
107.08565	1.0
109.02864	6.4
111.00783	0.9
111.04436	0.8
115.03909	11.7
119.04939	4.0
119.08504	0.9
121.02862	8.4
121.05644	1.1
121.06488	19.8
121.10110	1.7
122.03191	1.6
123.04426	1.6
127.02943	1.5
127.03893	25.9
127.42652	0.6
128.50693	0.6
131.04913	12.6
131.08551	0.7
132.06535	0.7
133.04935	15.0
133.06477	1.5
135.08177	0.7
136.07565	1.7
137.02307	1.1
137.05917	0.7
137.09615	1.0
145.04945	25.4
145.06403	2.4
147.04390	20.9
147.11743	1.1
148.04684	1.2
149.06001	1.1
149.09528	1.2
150.07603	3.0
151.03906	0.7
153.01784	3.6
154.08647	1.2
159.06503	2.4
161.05902	0.7
162.07632	0.7
163.03819	1.7
163.05995	17.6
163.07367	0.9
163.11133	1.1
164.07051	0.9
165.01823	2.4
171.07991	0.8
177.05450	1.0
177.24127	0.6
180.08598	0.8
181.04858	0.9
181.06415	1.1
183.02893	0.9
187.06035	0.9
189.12767	0.7
192.58519	0.7
193.04892	1.3
199.05968	0.9
199.07585	0.8
213.05377	1.6
223.05969	2.7
231.06580	1.0
235.09537	1.1
235.16968	0.9
241.04927	1.0
241.07080	3.5
248.04021	0.7
249.07549	4.7
253.10666	1.0
253.14320	0.9
258.05154	1.1
259.08102	3.2
267.08621	3.3
271.08124	1.3
277.09225	1.1
283.05902	1.8
287.05460	100.0
288.42694	0.7
289.09177	1.8
293.09985	1.4
307.10147	1.3
313.06995	1.7
323.09348	0.7
397.08844	0.6
415.10025	1.2
432.12546	1.0
433.11188	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.1
55.05505	1.3
57.03426	13.6
57.07064	15.5
58.84337	0.7
59.04980	1.6
61.02914	6.6
63.04476	22.4
69.03412	15.4
70.06583	0.8
70.52436	2.6
70.52806	0.9
71.01337	3.9
71.04949	0.8
73.02898	21.0
79.05484	0.8
81.03391	3.0
85.02886	34.6
86.09695	1.5
87.04436	1.9
91.03949	1.0
93.07050	0.8
97.02870	24.6
99.04433	2.1
101.09647	2.2
103.03919	2.1
105.06960	1.1
109.02840	3.4
115.03906	15.5
119.10668	100.0
120.10990	1.9
121.02841	0.9
127.03889	10.0
132.06535	1.2
133.04927	16.0
145.04927	14.4
145.36052	0.7
150.07600	1.3
151.03925	0.7
163.03879	2.0
163.05949	5.0
178.98634	0.8
189.12520	0.7
215.12793	0.9
223.06044	2.1
241.07016	2.4
242.07544	0.7
251.14839	1.2
259.08188	2.8
260.09229	1.4
281.16006	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	8.9
55.05733	2.1
67.05493	14.8
69.03417	9.3
69.07053	11.2
71.04958	2.6
77.03876	2.3
79.05486	15.7
81.06628	3.0
81.07047	31.0
83.04927	2.5
83.08601	4.7
85.06551	2.3
91.05459	18.4
93.07035	35.5
95.04940	6.8
95.08588	29.4
97.06502	6.5
97.10112	2.0
105.07018	71.6
107.04890	1.8
107.08576	60.7
109.06497	6.5
109.10140	19.7
110.46944	2.0
111.08064	4.7
113.06009	1.9
115.05464	2.2
117.07012	11.5
119.08562	57.4
121.06484	8.6
121.10130	98.2
123.08031	7.1
123.11664	8.2
124.99995	1.9
128.06204	4.9
129.06996	12.7
130.07809	1.9
131.08556	49.5
133.10114	67.2
135.08044	4.2
135.11665	28.8
137.05966	2.6
137.13216	3.1
142.07738	7.9
143.08549	36.7
144.09319	3.0
145.10107	63.4
147.08015	12.7
147.11667	59.5
149.09619	11.0
149.13210	16.0
151.07507	4.3
151.11115	4.7
155.08495	6.6
156.09299	6.4
157.10117	45.2
159.08025	2.5
159.10426	3.9
159.11670	54.6
161.09593	21.5
161.13239	34.9
163.11145	20.5
163.14758	10.2
165.12709	3.8
167.10623	8.8
169.10086	11.4
170.10872	2.1
171.07947	2.7
171.11653	40.0
172.12080	2.0
173.09705	4.3
173.13246	32.1
175.11151	13.5
175.14793	14.5
177.09055	3.3
177.12747	9.9
177.16313	3.2
179.10657	7.7
179.14293	4.3
181.10054	4.4
181.12213	16.3
183.11642	12.1
185.09616	3.3
185.13243	38.9
186.13487	2.3
187.11183	6.0
187.14796	21.8
189.12688	10.6
189.16362	6.0
191.10629	6.1
191.14226	6.1
193.12221	18.3
193.15939	2.0
195.11665	5.3
195.13756	6.3
197.13216	12.1
199.11108	4.1
199.13159	3.3
199.14815	33.1
201.12695	7.1
201.16351	9.7
203.10571	2.3
203.14236	10.8
205.12250	5.8
205.15869	7.1
207.13716	18.1
209.11586	2.6
209.13341	3.1
211.14804	5.1
213.12640	4.0
215.14241	4.8
215.17738	2.2
217.12260	4.7
217.15894	7.4
219.11731	2.1
219.13773	6.1
221.13342	2.8
221.15355	7.0
223.14893	4.0
225.12660	2.6
225.16325	3.4
227.14244	2.9
231.13748	8.3
231.17422	3.2
233.15286	9.3
235.16899	2.6
237.16415	3.4
239.17911	2.6
243.13710	2.1
243.20764	2.1
245.15318	9.6
249.14798	2.9
259.76855	2.0
263.16364	4.1
267.17270	2.8
295.20502	2.0
325.25076	5.0
331.24139	5.7
339.26718	3.2
349.25214	34.8
351.26816	7.1
353.24698	5.9
359.23935	2.4
367.26303	100.0
368.26785	5.1
369.27753	14.9
371.25919	10.5
377.24762	24.7
385.27292	69.8
386.27899	4.3
395.25772	46.6
413.26736	61.7
414.27289	4.6
431.27808	31.1
432.28363	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01866	10.1
55.05498	1.9
57.03428	5.2
60.04512	3.3
61.02920	6.7
62.31760	0.9
67.05506	1.1
68.99787	2.8
69.03422	31.5
69.07078	1.2
69.94888	1.4
69.95302	3.5
70.78060	0.9
71.04980	5.1
73.02914	10.9
77.03892	0.9
79.05430	1.0
81.03409	34.7
81.07031	2.4
83.01343	1.0
83.04949	1.6
85.02896	100.0
86.03241	1.0
87.00819	29.2
87.04474	1.0
91.03949	3.4
91.05479	3.0
93.07043	2.6
95.04972	1.5
95.08585	2.5
97.02884	40.5
98.06046	1.4
98.21379	1.4
99.04443	18.6
105.01856	33.8
105.02560	1.7
105.07001	2.7
107.08572	1.6
108.04464	8.9
109.02869	34.9
109.10162	1.8
110.03185	1.0
111.92285	1.0
115.03868	1.1
117.01837	5.5
118.16479	0.8
118.73353	0.8
119.04913	1.3
119.08562	1.8
120.14312	0.9
121.02779	1.2
121.10101	1.7
126.05500	4.7
127.03904	81.7
128.04218	1.0
129.01846	5.4
130.06497	0.9
131.04924	2.3
131.08572	1.7
131.95467	1.0
137.05980	3.5
145.04945	46.2
145.10104	1.1
145.78856	0.9
147.02884	4.9
147.04398	5.4
147.11685	1.5
155.06035	1.4
159.02873	27.3
165.09132	3.1
169.07593	3.4
173.13271	1.5
177.03955	2.7
183.05498	1.1
187.14671	1.2
189.03905	1.8
189.09106	5.4
193.02428	1.0
195.05563	2.7
196.06374	1.4
197.07109	2.2
207.10152	2.6
213.03943	4.9
213.06226	1.3
221.07181	2.1
225.06477	4.2
229.06041	2.9
230.06570	2.6
231.04999	19.4
231.10187	3.2
231.13718	1.2
232.14163	1.3
233.11806	2.1
233.15277	1.2
239.08101	2.0
248.07646	6.8
249.06223	2.6
266.08807	1.1
267.07587	1.8
268.17035	1.2
271.06998	2.5
273.11252	3.1
285.08643	1.6
295.07120	3.8
313.08066	2.4
318.94016	0.9
324.13260	1.3
366.14532	1.7
370.13898	2.5
384.15390	2.4
412.14899	4.1
430.16019	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	429.3723
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
50.63853	0.4
51.74540	0.4
55.05497	3.2
57.07066	16.3
59.60053	0.4
67.05504	2.9
69.07052	4.5
69.29453	5.7
71.08621	12.1
79.05476	1.1
79.63894	0.4
81.06582	0.5
81.07035	7.0
81.16164	0.5
83.04940	0.8
83.08607	2.9
85.10166	5.9
91.05453	1.8
93.07003	2.3
95.08056	0.6
95.08593	6.7
97.10155	1.3
105.07008	2.2
107.08575	5.6
109.06486	0.7
109.10149	5.6
111.04408	1.2
111.07995	0.6
111.11681	1.0
117.06987	1.1
119.08541	3.5
121.06501	0.9
121.10119	2.9
123.08032	1.1
123.11673	1.1
124.00006	0.5
125.13209	0.5
129.06853	0.6
131.08533	2.2
133.10092	1.7
135.08012	5.0
135.11662	1.7
137.09595	11.3
137.13176	0.6
139.07533	2.2
143.08546	0.9
145.10103	1.9
147.11684	0.7
149.09596	12.5
149.13272	0.7
150.10010	0.5
151.07504	1.2
156.84827	0.5
157.10091	0.6
158.07336	0.6
158.10931	0.5
159.08081	0.7
159.11667	3.1
160.08813	0.8
161.09592	0.9
162.06699	0.7
163.07484	1.0
163.11159	22.2
165.09085	100.0
166.09413	3.2
171.11642	0.7
173.09586	2.2
173.13246	2.0
175.07513	0.8
175.11153	5.1
176.08260	1.7
177.09077	12.6
177.12732	2.5
178.09383	0.6
178.66602	0.5
179.10658	2.0
179.18018	0.6
186.10341	1.5
187.11130	2.5
187.14799	1.1
189.09093	1.0
189.12708	1.5
190.09868	1.4
191.10640	11.2
201.12680	3.2
203.10652	1.5
203.14221	1.3
204.11444	1.0
205.12218	10.4
215.14304	2.1
219.13777	5.0
229.15822	0.6
233.15320	2.7
247.16879	2.0
251.42113	0.5
261.18536	1.7
275.20059	1.4
289.21497	1.9
303.23151	1.9
317.24759	1.2
331.26263	1.3
345.27847	0.7
359.29282	0.9
373.30954	1.1
383.36917	0.6
401.34052	3.8
411.36139	2.6
429.37216	72.9
430.37659	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	430.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.9
59.04996	1.3
67.05489	1.3
68.91743	0.5
69.03413	1.5
71.04993	1.2
71.62367	0.9
73.02893	0.5
79.05480	0.8
81.03404	1.4
81.07031	1.3
81.67093	0.5
85.02901	2.4
85.06549	0.6
90.45924	0.4
91.05466	12.6
93.07030	0.9
95.04959	0.8
95.08565	0.7
97.02882	1.8
105.07021	0.7
107.08562	1.3
107.75117	0.5
109.02861	0.9
109.06477	0.9
119.04928	9.9
121.02847	4.2
123.08034	0.8
124.07610	0.6
127.03916	1.0
135.08031	0.8
135.29730	0.5
137.05960	100.0
138.05371	0.9
138.06282	1.1
138.09109	1.3
141.06877	0.6
143.04945	0.6
143.08522	0.9
145.04980	0.6
145.06335	0.7
147.04410	10.0
148.04732	1.0
149.05984	1.2
158.07352	0.5
159.11740	0.6
160.16772	0.5
161.05978	3.3
161.09645	0.7
164.07025	0.8
166.08646	2.3
169.10097	1.3
173.05936	0.9
189.09093	3.6
191.07004	0.7
197.09677	0.8
204.08676	0.8
207.06520	0.9
207.10136	1.5
215.10637	4.0
233.11694	7.5
251.12839	3.1
262.39725	0.5
283.07944	0.9
309.09534	0.6
339.05273	0.6
430.21246	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	429.3721
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05502	3.0
55.96150	0.5
57.07073	18.6
61.70054	0.6
67.05498	4.6
69.07069	4.3
69.42952	5.6
71.08623	11.4
75.53915	0.6
75.91582	0.6
76.17553	0.6
79.05472	1.1
81.07049	8.3
83.04967	0.8
83.08597	1.8
85.10168	6.4
88.70768	0.7
91.05457	2.0
93.07022	1.9
95.04970	0.6
95.08597	6.9
97.10135	1.6
105.07011	2.7
107.08583	4.8
108.95274	0.5
109.10152	5.9
111.04436	0.6
111.11699	0.9
117.07008	1.3
119.08582	3.3
121.06452	0.9
121.10118	2.8
123.08022	1.3
123.11668	1.5
125.05937	0.7
131.08551	1.8
133.10130	1.4
135.08058	6.1
135.11652	2.0
137.05936	0.8
137.09619	9.5
139.07504	1.5
145.10146	1.7
147.07993	0.8
149.09607	15.6
151.07550	1.3
151.14761	0.9
152.08195	0.8
159.11697	3.5
161.09586	0.6
162.06677	1.0
163.07500	1.2
163.11160	19.2
165.09094	100.0
166.09412	1.7
173.09587	1.7
173.13220	1.4
175.11156	6.5
176.08284	1.4
177.09108	10.6
177.12775	1.8
179.10648	1.6
185.09633	0.7
186.10414	0.9
187.11214	3.2
189.09113	1.0
189.12708	1.7
190.09848	1.7
191.10648	10.5
191.14268	1.0
201.12720	2.7
203.10632	1.1
203.14328	0.8
203.19725	0.6
205.12234	9.8
215.14386	1.3
219.13748	4.5
233.15425	3.3
247.17021	1.3
261.18558	1.5
275.19952	1.5
289.21567	1.4
297.39047	0.8
303.23224	1.7
317.24713	1.4
331.26285	1.0
345.28036	1.1
359.29419	0.8
373.31006	1.2
401.34033	2.2
411.36133	2.9
429.37225	63.6
430.37793	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.372
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.00271	0.4
55.05497	2.7
57.07065	17.6
58.98766	0.4
60.54906	0.4
67.05487	4.4
69.03410	0.6
69.07054	3.9
71.08231	0.6
71.08619	11.9
73.37226	0.3
77.26426	0.4
79.05463	1.8
81.07040	7.5
83.04974	1.0
83.08604	3.1
85.10162	5.5
91.05464	2.5
91.17384	0.4
93.07034	2.3
95.08047	0.5
95.08596	8.1
97.06503	0.5
97.10142	2.3
98.21513	0.9
105.07006	3.1
107.04803	0.4
107.08572	5.3
109.06481	0.8
109.10136	5.8
111.04422	0.7
111.11689	1.1
117.07002	0.5
119.08565	3.4
121.06477	2.3
121.10123	3.5
122.07289	0.7
123.08047	1.4
123.11657	1.1
125.05978	0.5
125.13240	0.7
129.06915	0.5
131.08562	2.0
133.10080	1.5
135.08032	5.0
135.11664	2.3
136.08810	2.1
137.05927	0.8
137.09584	11.3
137.13205	0.5
139.07495	2.2
143.08496	0.8
144.09227	0.6
145.10056	2.5
147.11664	0.8
149.08385	0.7
149.09579	13.7
149.13280	0.8
151.07484	1.2
157.10130	0.6
158.10768	0.5
159.07964	0.9
159.11655	2.8
160.08765	1.1
161.09552	0.9
162.06703	1.2
162.10085	0.4
163.07468	0.5
163.11147	19.5
163.14752	0.5
164.08282	2.4
164.11415	0.4
165.09076	100.0
166.09390	2.1
172.08746	0.5
173.09569	2.3
173.13216	2.3
174.10367	0.6
175.07472	0.6
175.11136	5.5
176.08307	2.4
177.09070	11.3
177.12671	2.2
179.10588	1.5
186.10341	1.4
187.11154	2.7
187.14719	0.9
189.09061	0.9
189.12735	2.3
190.09830	1.5
191.10635	9.4
200.11980	0.6
201.12694	3.1
203.10640	1.7
203.14261	0.7
204.11349	0.9
205.12192	11.0
206.12582	0.5
208.10764	0.5
215.14304	1.2
219.13776	4.6
229.26315	0.5
233.15321	2.6
247.16907	1.7
261.18414	1.0
265.72525	0.4
275.19949	2.0
289.21616	1.4
299.23865	0.4
303.23047	1.5
311.98901	0.5
317.24591	1.5
331.26212	0.7
345.27805	0.9
359.29337	0.8
373.31000	0.6
383.36462	0.6
401.33871	2.6
411.36188	2.7
414.34659	0.7
429.37192	58.6
430.37762	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	429.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
55.09012	0.5
57.03414	0.6
57.07066	18.4
67.05489	3.8
69.07053	4.6
69.36075	5.0
71.08220	0.7
71.08618	13.2
79.05477	1.8
81.07040	7.5
83.04959	0.6
83.08597	2.8
85.10165	5.3
91.05450	2.1
93.07043	2.4
95.08594	8.0
97.10158	2.6
98.21443	1.0
105.07011	1.9
107.08564	6.1
109.06443	0.7
109.10142	5.9
111.04436	0.8
111.08064	0.6
111.11722	1.2
117.06986	0.9
119.08539	3.5
121.06493	1.4
121.10117	4.7
122.07294	1.0
123.08044	1.0
123.11694	1.4
124.10614	0.4
125.13289	0.6
129.06979	0.8
131.08548	2.1
133.10103	1.8
135.08018	5.6
135.11681	2.1
137.05917	1.0
137.09586	8.3
137.13234	0.9
139.07532	2.8
143.08478	0.7
144.09331	0.7
145.10118	2.3
147.11691	0.6
149.09586	14.7
149.13231	1.0
151.07492	1.5
151.14735	0.7
157.10120	0.9
159.08035	0.8
159.11697	3.5
159.23961	0.5
160.08763	0.6
161.09581	1.0
162.06679	1.1
163.07521	0.8
163.11157	21.9
163.14780	0.5
165.09084	100.0
166.09444	2.6
172.08766	1.1
173.09590	2.1
173.13225	2.2
174.10287	0.7
175.07509	0.8
175.11105	4.7
176.08289	1.8
177.09085	11.7
177.12671	2.4
179.10634	1.6
185.09607	0.5
186.10368	0.9
187.11101	2.3
187.14833	1.3
189.12741	1.9
190.09843	1.8
191.10654	11.0
191.14282	0.6
193.12341	0.6
201.12689	2.9
203.10616	1.3
203.14268	0.8
204.11455	0.9
205.12193	11.2
215.14268	1.5
217.15868	0.5
218.12796	0.6
219.13785	6.2
229.15866	0.8
233.15361	2.7
247.16936	2.0
261.18488	0.7
275.20050	1.5
289.21652	1.7
303.23245	1.4
317.24734	1.4
331.26245	0.8
359.29324	1.0
371.13184	0.8
373.30920	1.4
385.14288	0.6
386.15259	1.4
387.15714	0.7
399.15927	0.8
401.17310	0.8
401.34106	2.7
402.18875	0.5
411.36276	2.7
413.13531	0.7
414.14661	1.7
415.15549	1.7
428.15857	0.7
429.16544	14.2
429.37192	68.6
430.17368	11.2
430.37543	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60041	5.4
55.05498	23.5
67.05487	29.8
69.07064	35.5
71.04978	9.6
71.63061	9.2
78.25515	5.5
79.05476	35.1
81.07038	78.0
81.52000	5.4
83.08601	13.6
85.06524	49.4
86.09697	16.2
91.05406	28.9
93.07023	60.9
95.04925	10.6
95.08596	88.8
97.06542	9.9
97.10173	7.5
105.07020	100.0
107.08582	61.0
109.06506	9.1
109.10141	41.6
110.67510	5.5
111.08052	9.9
117.06993	14.8
119.08566	77.9
121.06477	9.7
121.10143	45.5
123.08093	8.3
123.11695	14.0
124.40031	4.6
125.09613	5.9
129.06992	12.2
130.20541	5.9
131.08546	53.0
133.10121	65.3
135.08020	7.2
135.11684	30.9
137.13211	6.4
142.07704	9.7
143.08572	27.4
145.10075	63.6
147.08092	6.4
147.11671	58.1
149.09601	6.3
149.13211	38.8
151.11195	6.8
155.08530	11.3
157.10114	38.8
159.11679	79.9
161.09657	6.0
161.13261	70.4
163.11197	13.3
163.14781	20.5
165.12781	6.7
169.10109	16.4
171.11595	26.9
173.09663	6.7
173.13199	36.7
175.11162	12.3
175.14821	30.5
177.12695	13.5
177.16434	11.1
179.14189	6.2
183.11618	10.5
184.07443	9.6
185.13266	28.0
187.11211	15.4
187.14835	39.1
189.12766	8.3
189.16379	17.8
191.14275	6.2
193.05020	6.6
193.12334	6.8
195.11745	6.3
197.13316	12.7
199.14796	23.5
201.16389	17.2
203.14168	8.0
203.17892	8.1
205.12247	10.1
205.15884	7.7
207.13980	6.2
209.13300	9.5
211.14822	7.9
213.16451	9.2
217.12193	7.0
217.15721	8.5
229.15965	5.7
231.13870	12.1
249.18336	7.1
285.05219	5.9
347.27188	13.8
365.28369	39.1
383.29492	31.3
393.27740	34.5
411.28647	54.2
429.29639	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.05504	21.4
57.03430	6.3
57.07061	9.8
58.08645	3.4
60.04501	3.5
61.02928	6.0
65.03951	3.8
67.05494	34.1
69.03413	10.1
69.07060	24.8
71.04961	9.6
71.62543	4.6
71.62945	6.6
73.02895	3.5
79.05487	36.0
81.03408	10.1
81.07045	64.2
83.04951	4.5
83.08607	18.1
84.79842	3.5
85.02876	7.1
85.06535	45.9
87.44136	3.6
91.03981	3.9
91.05456	42.9
93.07040	64.3
94.07323	4.3
95.04958	13.5
95.08595	66.2
96.04346	4.3
96.31168	4.1
96.80437	3.2
97.02885	7.9
97.06519	8.9
97.10121	3.7
99.04434	3.7
105.07014	100.0
107.08575	61.4
109.06523	6.8
109.10149	24.4
111.02240	3.5
111.08047	4.3
117.06998	16.4
117.41846	3.9
119.08567	74.2
121.06487	10.9
121.10126	45.0
123.08025	7.1
123.11663	11.0
125.09611	9.4
127.03873	3.3
128.06261	3.7
129.06976	13.9
131.08551	52.0
133.10126	71.1
135.08046	9.4
135.11659	33.7
137.09550	8.6
141.06920	6.8
142.07756	5.7
143.08524	34.1
144.09291	7.5
145.10097	69.8
147.08047	10.0
147.11670	57.6
149.02296	12.1
149.05962	4.8
149.09587	10.6
149.13257	27.2
151.07549	4.4
153.07002	4.4
155.08478	12.3
157.10098	44.4
158.10397	4.3
159.10428	6.2
159.11676	86.7
161.09595	13.1
161.13249	76.7
163.11137	9.0
163.14803	14.8
164.70784	3.5
165.09169	3.9
165.12730	4.1
169.10121	15.5
170.10818	5.2
171.11696	30.5
173.09590	4.2
173.13261	42.7
175.11230	9.1
175.14836	22.7
177.09151	4.9
177.12766	7.6
179.14311	11.4
181.09943	3.9
183.11668	9.6
185.13286	30.3
187.11180	11.6
187.14799	30.7
189.12758	7.8
189.16379	12.9
191.10678	9.2
191.14319	7.3
193.05009	8.8
193.12192	5.0
195.11748	6.8
197.13283	12.6
199.11105	4.7
199.14711	18.6
201.12721	10.2
201.16357	12.9
203.10643	8.2
203.14267	4.4
203.18007	4.6
205.12149	4.6
205.15952	6.4
207.13837	4.4
209.13272	7.6
211.14862	9.1
213.16376	4.1
215.17871	4.6
217.12325	7.6
219.13823	4.5
223.14859	4.5
227.14388	4.7
227.17894	3.8
229.16042	5.3
231.13811	8.6
232.99420	4.1
233.15323	8.2
239.17825	4.9
245.15327	6.4
248.55356	3.4
251.17764	5.1
285.18375	4.5
316.61734	5.7
337.25375	4.1
347.23489	5.3
347.27231	7.1
365.24625	13.1
365.28485	24.2
367.29941	8.8
375.26807	6.4
383.29614	18.9
385.09344	4.2
393.23340	5.8
393.27911	26.1
411.28989	52.1
412.29495	4.7
421.04590	4.3
429.11670	6.4
429.21164	6.0
429.29926	39.6
446.48065	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	429.2993
Annotation	Comnostin A
Peak:m/z	Relative Intensity
55.05499	12.7
57.03433	4.5
57.07071	6.3
67.05492	25.1
69.03423	10.2
69.07040	19.3
70.13004	5.6
70.13421	11.3
79.05474	27.3
81.03408	17.6
81.07043	62.6
83.04967	9.2
83.08598	14.9
83.34967	3.3
85.02880	9.4
85.06525	41.1
91.05461	34.1
93.07030	50.1
95.04959	13.5
95.08591	65.8
96.08954	7.2
97.02868	11.0
97.06512	6.6
97.10163	5.6
99.12009	3.3
105.07010	100.0
106.07343	3.4
107.08582	62.2
109.02856	5.1
109.06528	8.9
109.10136	31.0
111.08066	10.4
117.07010	18.1
119.08560	75.8
121.10105	39.2
121.79851	3.1
123.07984	4.6
123.11690	13.4
127.03950	3.3
128.06099	3.4
129.06987	13.0
131.08549	59.3
133.10106	71.8
135.08102	3.2
135.11655	27.2
137.13173	3.5
142.07768	5.3
142.99475	3.2
143.08533	25.2
144.09315	7.5
145.10083	76.0
147.11670	59.6
147.12785	6.7
149.09648	11.9
149.13264	33.5
155.08548	7.4
156.09290	4.6
157.10098	35.4
158.10762	3.8
159.11667	69.5
161.09549	6.1
161.13231	74.0
163.11182	14.1
163.14775	18.2
165.12738	9.5
169.02640	5.3
169.10139	10.0
170.10916	3.8
171.11699	23.0
173.09685	4.4
173.13239	56.3
175.11172	8.0
175.14804	47.6
177.12733	14.6
177.16351	8.3
179.14304	9.7
181.09970	5.1
183.11716	7.1
185.13283	21.3
187.11201	6.9
187.14803	36.6
189.12740	6.2
189.16377	10.8
190.21991	3.3
191.10667	11.3
191.14299	8.7
193.12173	16.3
197.13275	8.7
199.14821	15.7
201.12744	8.4
201.16359	15.2
203.10606	4.1
203.14282	6.6
205.12267	7.4
205.15930	9.1
207.13736	5.5
211.13200	16.9
213.16333	7.3
215.17845	4.1
217.12279	6.7
217.15836	6.0
219.13765	9.3
219.17409	3.7
223.14874	4.6
225.16360	4.7
227.17966	5.6
231.13799	12.4
235.13390	4.1
241.19215	3.6
245.15369	7.1
249.14713	6.3
257.15225	4.6
337.25067	4.5
347.27362	11.6
349.28659	4.8
355.26291	6.0
365.28302	37.6
367.29907	8.4
373.27362	7.1
375.26880	4.5
383.29404	31.7
393.27731	39.0
411.28848	60.7
429.21127	22.6
429.29947	41.0
429.36130	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	429.2993
Annotation	Comnostin A
Peak:m/z	Relative Intensity
51.02386	1.8
53.77893	1.4
55.05499	10.5
57.03429	1.7
57.07048	3.4
60.34098	1.5
67.05492	24.6
69.07062	17.3
70.81905	5.7
71.04964	5.0
79.05480	18.9
81.03434	1.7
81.07047	56.5
83.04963	2.2
83.08600	6.8
85.06529	44.3
90.93002	1.5
91.05458	31.8
93.06463	3.4
93.07031	49.6
95.04926	3.7
95.08588	47.9
97.06508	8.1
97.10122	1.8
103.05400	2.5
105.07015	100.0
107.05008	1.6
107.08579	51.6
109.06498	4.0
109.10139	20.4
111.08066	6.0
115.05431	2.5
117.07001	16.7
119.08566	75.8
120.08798	2.3
121.06487	3.8
121.09295	2.9
121.10120	35.9
123.08054	4.6
123.11684	7.4
125.09622	2.2
127.07516	2.0
128.06219	2.4
129.06985	12.6
130.07750	2.8
131.08549	47.4
133.10114	61.3
135.08026	4.5
135.11682	26.0
137.09633	2.7
137.13174	2.8
140.82423	1.5
141.06929	3.2
142.07785	7.7
143.08543	25.5
144.09286	5.0
145.10103	72.5
147.08020	4.9
147.10483	2.6
147.11661	53.2
149.02284	2.8
149.06004	2.2
149.09604	5.6
149.13237	29.6
151.11165	3.0
151.14864	1.8
155.08557	10.8
156.09331	4.7
157.10103	32.5
158.10875	2.7
159.11670	73.5
161.09583	5.1
161.13240	92.2
162.13577	3.3
163.11104	8.5
163.14792	13.0
165.09081	2.6
165.12715	6.3
167.08517	3.0
169.10107	13.8
170.10870	2.4
171.11671	24.3
173.09607	4.8
173.13239	40.6
175.11153	5.6
175.14801	26.2
177.09047	3.3
177.12723	6.7
177.16322	5.5
179.10654	2.4
179.14319	8.8
181.10112	2.8
183.11707	9.0
185.09691	2.0
185.13211	23.4
187.11238	8.4
187.13106	2.5
187.14803	44.0
189.12701	6.5
189.16368	13.4
191.10622	4.8
191.14352	8.2
193.12215	3.2
193.15834	3.7
195.11685	3.1
197.13220	10.6
199.14760	18.3
201.12671	5.1
201.16354	16.6
203.10619	3.2
203.14316	7.4
203.17857	6.8
205.12241	5.7
205.15831	13.5
207.13745	4.3
207.47723	1.7
209.11612	3.5
209.13315	4.6
211.14767	4.8
213.12761	3.3
213.16356	5.9
215.10608	3.5
215.14258	4.4
215.17915	4.3
217.12222	6.9
217.15819	6.0
217.19505	2.3
219.13745	5.5
219.17389	4.1
221.15215	2.2
223.14748	3.4
225.16420	3.2
227.14224	3.2
227.17763	2.3
229.15874	3.6
229.66585	1.8
231.13771	14.3
233.15306	5.6
239.18008	3.5
241.19444	3.4
243.13826	2.6
245.15393	7.2
247.16881	3.0
249.14789	6.2
251.17964	2.2
269.18643	1.8
271.20544	2.2
279.21115	2.7
297.18808	1.8
311.32870	2.0
347.27319	7.9
365.24258	2.5
365.28391	30.0
367.29880	10.4
375.26633	3.0
383.29379	20.5
393.27747	27.1
393.32422	2.2
411.28882	52.4
412.29477	1.8
429.29907	37.4
429.88937	1.9
444.85983	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	2.0
59.67918	1.7
61.02926	2.8
61.60569	1.8
64.43748	1.9
69.03407	6.4
71.61200	2.9
75.11663	1.8
77.24245	1.7
82.31936	1.9
83.33392	1.6
85.02904	14.2
85.47621	1.8
97.02882	6.2
119.01962	1.9
121.06488	1.6
127.03921	5.0
145.03555	1.5
145.04953	7.0
145.06958	1.6
147.04399	2.5
157.03542	1.9
171.77455	1.7
184.05717	2.1
220.19897	2.1
223.06677	3.6
225.80238	1.6
248.06067	1.9
265.07687	4.3
271.60562	1.9
275.09875	1.8
333.10184	2.3
368.11063	1.9
429.11615	100.0
430.11832	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	429.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
63.55415	3.1
67.05485	7.1
69.03406	8.6
69.66406	23.5
71.30586	3.7
79.05494	4.5
81.03400	6.7
81.07062	5.8
85.02872	11.9
85.06550	4.4
85.42361	3.7
90.74302	3.8
91.05441	8.7
93.07021	4.5
95.04939	3.2
97.02854	6.9
98.21465	6.6
98.97531	4.4
113.68368	3.3
118.46869	3.5
119.04906	18.3
121.02819	4.8
121.10098	4.4
147.04395	88.6
161.09631	4.1
163.03902	4.0
163.11140	4.2
178.07855	3.4
199.58749	3.3
235.63098	4.0
429.18680	100.0
430.19083	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	429.2994
Annotation	Comnostin A
Peak:m/z	Relative Intensity
53.03917	5.7
55.05492	17.9
57.03418	7.1
57.07074	11.3
58.46283	3.9
67.05499	26.5
69.03419	9.1
69.07059	26.2
69.51006	34.1
71.04960	4.0
74.91414	3.7
79.05479	32.2
81.03404	9.8
81.07045	76.2
82.07355	4.4
83.04976	5.9
83.08620	7.2
85.06536	39.5
91.05432	34.1
93.07027	64.2
95.04948	12.2
95.08595	71.3
97.06495	10.8
97.10150	4.8
105.07021	100.0
107.08575	75.6
109.06503	8.7
109.10130	45.1
111.08068	7.5
114.87362	4.4
117.06994	17.1
119.08559	89.3
120.08929	4.0
121.06479	7.9
121.10126	61.0
123.08105	4.4
123.11671	17.0
125.09634	5.4
129.06976	15.1
130.07722	6.3
131.08554	57.5
131.38020	3.6
133.10120	67.2
135.08040	6.7
135.11667	36.9
141.06894	6.6
142.07729	9.5
143.08566	30.4
144.09271	4.7
145.10100	67.0
146.10509	4.2
147.08011	4.8
147.11679	59.8
149.02380	9.3
149.09570	7.3
149.13246	38.9
155.08542	9.5
156.09451	4.6
157.10107	47.5
159.11653	78.5
160.11978	5.9
161.09566	6.2
161.13239	76.5
163.11024	8.4
163.14771	18.8
165.09096	7.3
165.12709	8.2
169.10120	11.5
170.10965	4.5
171.11685	32.2
173.13248	51.4
175.11177	10.8
175.14792	31.0
177.12727	9.0
177.16385	12.7
179.10716	4.3
179.14330	8.5
181.10072	4.3
183.11679	10.1
185.13220	26.1
187.11115	7.0
187.14812	41.3
189.12650	7.8
189.16350	18.8
191.10445	5.5
191.14268	8.3
193.04988	5.0
193.12231	7.7
195.11635	7.8
197.13240	10.6
199.14775	19.3
201.12730	6.1
201.16270	23.7
203.10556	5.7
203.14264	9.3
203.17894	8.3
205.12305	7.6
205.15860	8.9
209.13298	5.3
211.13058	4.4
213.16266	7.9
215.14340	4.3
215.17906	6.5
217.12292	7.2
225.16351	11.2
227.17978	6.4
231.13651	8.5
233.15401	4.6
233.19023	5.3
241.19583	6.0
245.15320	8.0
247.17072	4.6
253.19507	4.5
271.16922	4.2
309.25562	4.7
347.27325	14.6
355.26132	6.1
365.28299	41.8
367.29941	10.9
373.27310	6.0
375.26974	6.2
377.55438	5.2
383.29446	40.1
384.29910	4.2
393.27838	41.7
411.28754	61.8
411.33167	4.4
412.29227	5.0
429.12210	8.7
429.21432	8.1
429.29642	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	428.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
54.82764	1.1
55.01857	8.6
55.05500	3.1
57.03432	16.2
57.06816	2.0
57.07070	21.4
59.04978	1.2
61.02912	9.8
66.09161	1.1
67.05502	9.5
69.03066	2.1
69.03424	29.9
69.07052	3.0
70.06571	1.7
70.59286	1.1
71.01344	4.1
71.04975	3.8
73.02911	43.6
79.05469	3.1
81.03412	17.3
81.07041	8.3
83.04971	3.5
83.08612	6.8
85.02896	100.0
85.06536	2.6
85.10162	3.2
86.03238	1.5
86.09683	1.4
87.04457	5.8
91.03938	4.7
91.05457	4.0
93.07041	5.7
95.04958	4.0
95.08597	9.8
97.02879	43.8
97.06496	2.0
97.10129	1.4
98.20784	2.6
99.04439	8.4
101.06039	1.8
103.03908	3.1
105.07011	4.6
107.08577	4.4
109.02876	15.8
109.06483	1.8
109.10149	53.0
109.10911	2.6
110.10494	1.4
111.04454	1.4
111.08070	1.5
113.09614	2.3
115.03915	17.5
119.04944	4.9
119.08559	3.4
121.02861	11.5
121.06483	2.5
121.10130	4.2
123.04411	3.5
123.08064	1.4
123.11674	2.5
126.05508	1.8
127.03899	35.5
127.11185	28.4
128.04231	1.5
131.04887	2.5
131.08519	1.7
132.06506	1.5
133.04950	23.8
133.10094	1.4
135.08028	1.7
135.11635	1.5
137.06036	1.1
138.09131	2.4
139.03874	2.5
145.04945	56.9
145.10127	2.6
145.12224	4.4
146.05296	1.8
147.04396	23.4
147.11658	4.9
148.04698	2.8
149.09567	1.4
150.07654	3.0
151.03891	3.6
157.06462	1.2
157.10083	1.6
159.11688	1.9
162.05469	15.8
163.06010	17.9
165.05417	2.1
165.12775	2.8
167.06897	1.4
173.06013	1.1
173.09561	1.1
175.11243	2.0
185.13197	1.0
186.62131	1.1
187.14853	1.3
193.04991	1.5
195.11519	1.2
198.20256	1.1
199.05978	1.5
213.12775	1.1
223.05965	3.1
231.10107	2.0
231.13741	4.3
241.07095	3.7
248.13452	1.1
248.17291	1.7
249.11313	1.6
253.14218	1.5
257.13730	2.0
259.08112	3.8
265.17941	3.4
266.18213	5.0
271.15317	8.9
275.14890	4.8
279.18137	2.0
283.08163	1.3
289.16425	42.9
290.16797	2.2
295.10229	2.4
303.08746	1.7
319.34064	1.2
428.17712	1.4
428.94690	3.5
429.11380	8.6
429.20761	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01853	6.7
55.05512	1.6
57.03432	14.6
57.07075	2.6
58.06580	1.4
58.38044	1.1
59.04981	2.3
59.32476	1.3
61.02922	14.1
67.05495	1.7
69.03421	34.2
69.07049	2.4
69.56943	1.1
69.76137	7.5
71.01338	2.8
71.04973	2.4
73.02910	67.9
76.95535	1.1
78.55103	1.1
81.03398	7.0
81.07024	1.2
81.17776	1.1
85.02893	100.0
85.06525	1.4
87.04448	3.5
89.03875	1.2
91.03947	5.0
91.05466	3.0
93.07014	1.5
95.04959	2.4
95.08609	2.8
96.04453	1.4
96.19706	1.3
97.02879	52.1
98.20775	2.3
99.04449	5.7
103.03890	2.1
103.05465	2.3
104.14426	1.1
105.07014	2.7
107.08542	1.4
109.02860	10.9
109.10158	1.9
111.11713	1.9
115.03918	24.7
117.03391	2.1
119.04920	3.8
119.08588	3.3
121.02869	2.2
123.04446	1.2
127.03900	31.9
131.04913	12.4
131.08511	1.3
133.04950	33.5
133.10109	1.6
145.02936	8.5
145.04942	62.4
145.10080	2.1
147.04379	13.6
148.04753	2.7
149.05962	3.6
150.07642	3.8
157.10176	1.5
163.06000	27.8
165.06972	2.6
165.09171	1.4
169.07588	2.6
175.07593	1.9
177.05426	23.5
183.05486	2.1
185.07124	1.6
185.13280	2.2
195.05511	2.3
195.11679	4.2
198.10454	1.5
199.05992	2.0
213.06589	2.0
213.12723	11.5
217.06902	1.5
223.06027	4.6
225.06598	4.1
229.06116	1.7
231.13786	13.7
239.08157	3.3
241.07042	6.8
249.14690	1.6
259.08072	10.5
267.07623	2.2
271.07068	2.6
277.09149	1.7
279.17981	5.8
285.08676	1.8
295.07224	2.9
295.10300	2.8
313.08215	2.3
368.12408	3.7
410.13382	3.4
428.14352	12.7
428.19452	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
55.05516	1.2
57.03429	27.9
57.07065	2.6
59.04992	2.0
61.02918	9.8
67.05477	1.8
69.03421	37.6
69.76900	7.2
71.01349	2.3
71.04971	3.2
73.02909	43.5
75.43063	1.0
79.05483	1.8
81.03423	7.5
81.07027	2.1
83.04977	1.2
85.02895	100.0
85.06530	1.8
87.04455	10.7
91.03946	4.9
91.05473	2.5
93.07043	2.2
95.04989	1.4
95.08630	2.7
97.02879	50.3
97.03511	2.5
99.04458	6.0
105.07012	1.8
107.08617	1.3
107.67995	1.1
109.02881	6.5
109.14642	1.2
109.15556	1.0
115.03916	42.6
117.07734	1.0
119.04943	1.8
120.08061	1.3
121.02885	3.3
121.10130	1.9
127.03907	28.5
131.04906	1.3
133.04950	26.4
133.10083	1.3
145.04939	61.6
147.04385	8.5
148.04738	1.3
149.09706	1.2
150.07616	4.6
157.10098	1.3
163.05995	28.2
177.05624	1.3
213.14839	1.6
223.06134	1.9
241.07098	4.6
249.14914	1.2
259.08081	6.8
279.18079	8.0
295.10162	4.4
428.14478	1.6
428.23813	1.9
429.21057	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	428.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01854	2.5
57.03427	4.6
59.04963	1.0
61.02921	8.5
62.00084	0.9
69.03422	15.7
69.07061	23.1
69.84141	2.0
69.84554	4.5
70.06562	0.8
71.04982	4.2
73.02914	4.7
75.39479	1.0
81.03396	5.4
81.07027	1.3
83.04946	1.4
85.02895	100.0
85.06526	1.8
87.04453	2.7
87.08069	1.3
91.03946	4.4
93.07032	2.1
95.04964	1.0
95.08561	1.0
97.02277	1.2
97.02882	21.0
99.04427	5.0
99.08093	4.9
102.03751	7.0
107.08575	1.4
109.02879	8.1
111.04414	1.0
111.08040	1.3
115.03950	1.9
117.09127	10.7
117.92655	0.8
119.04900	1.6
121.06486	3.8
123.04472	0.9
127.03897	27.7
135.08026	1.1
145.04936	53.4
147.04410	1.0
150.07715	3.1
151.08031	0.9
163.03918	1.9
163.05998	33.3
167.07028	1.3
181.31300	1.2
195.10040	1.5
213.11105	1.8
217.10677	1.6
231.12238	2.4
248.09158	2.1
258.63739	1.0
266.10272	3.0
266.13556	1.1
278.49982	0.9
289.09174	1.4
325.11252	6.9
428.15375	1.5
428.20560	7.7
429.21207	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	428.227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01876	1.3
55.05500	1.8
60.76538	0.8
67.05490	2.3
67.44654	1.0
69.03419	28.0
69.07052	2.2
69.39714	1.0
70.06574	0.9
71.04988	1.1
71.61849	1.3
71.62213	1.0
73.02912	1.2
75.20923	0.9
79.05479	4.2
81.03403	1.6
81.07047	2.8
82.60848	0.8
83.04967	2.0
85.02899	8.7
85.06523	1.3
87.04448	4.5
91.05454	6.9
91.26646	0.9
93.07047	4.8
95.04974	2.0
95.08597	2.8
96.08929	1.0
97.02876	3.9
97.06555	1.2
100.82069	0.9
105.07005	6.9
107.04927	2.8
107.08575	2.7
109.02862	1.9
109.06494	2.2
111.04417	1.5
117.06912	0.9
119.04916	3.9
119.08552	7.9
121.06513	2.0
121.10117	2.5
121.34620	0.9
123.04413	1.2
123.08022	1.0
125.05981	1.1
127.03894	3.5
128.06221	1.8
129.06985	2.7
131.04916	3.1
131.08549	3.3
133.10088	4.9
135.08057	2.1
137.05994	1.2
142.07773	2.7
143.08562	7.8
145.04939	2.7
145.06496	1.2
145.10101	7.5
146.06046	1.1
147.04391	20.5
147.07974	1.5
148.04788	1.0
149.09636	1.4
151.11166	0.9
153.06973	1.0
155.08528	2.9
156.09323	3.2
157.06487	1.6
157.10115	6.6
159.11774	1.1
163.06047	1.0
165.05449	6.7
165.06982	8.6
165.12732	2.4
166.13031	1.4
167.08548	1.3
170.10886	7.5
171.08038	5.5
171.11633	5.3
172.08786	3.1
173.09541	0.9
175.07555	10.4
177.01941	0.9
177.05469	2.3
179.08514	1.4
180.09323	13.0
183.08055	2.7
185.09549	1.7
185.13228	10.7
187.11411	1.0
195.11662	23.7
198.10385	10.1
204.13202	0.9
213.12709	80.8
214.13046	1.4
231.13770	100.0
232.14099	2.3
248.17230	2.7
265.17889	2.0
266.18243	3.9
388.40970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01852	6.2
55.05499	3.2
56.21186	1.5
57.03425	15.5
59.04981	3.7
61.02901	5.5
64.89733	1.5
66.01350	1.4
67.05494	7.1
69.03421	19.4
71.04960	4.1
71.37305	1.9
71.37630	1.4
73.02878	2.7
75.04457	6.1
79.05473	4.0
81.03386	4.0
83.04969	27.1
85.02892	59.5
88.25592	1.4
91.03915	3.4
91.05456	3.4
91.20380	1.4
93.03393	2.1
93.07030	4.0
95.04964	3.0
97.02863	13.4
97.06515	21.6
99.04415	4.2
101.06045	7.0
103.05446	3.4
105.38713	1.4
109.02876	4.9
109.06529	1.7
111.04423	54.5
115.03864	1.4
115.07514	2.2
119.04926	26.8
121.02833	3.4
121.06483	8.1
123.04397	4.8
125.05975	34.8
127.03912	12.4
129.05455	19.0
136.06152	4.3
137.05937	1.9
139.03923	1.8
143.07001	34.4
145.04921	12.8
149.05959	19.8
150.07684	1.9
155.63739	1.4
158.97340	4.5
159.06502	14.8
163.05998	1.9
163.07417	1.7
167.07008	42.2
176.98454	2.3
185.08063	37.9
198.79552	1.5
199.09618	35.2
216.97964	4.5
217.10675	100.0
218.11032	2.7
234.98972	12.1
247.09914	1.4
249.13292	44.3
258.21365	1.6
323.02100	16.7
351.01520	6.5
359.03207	1.8
369.02631	5.2
429.20886	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96013	0.4
53.96352	0.4
57.03426	0.5
59.44082	0.4
64.00288	0.5
69.03401	0.9
71.04977	0.5
71.62440	0.4
71.62840	0.5
81.03391	1.9
81.07043	0.5
83.16239	0.4
85.02886	1.6
85.06535	0.8
91.05470	6.2
93.07011	0.9
95.08582	0.7
97.02837	0.7
107.04981	0.4
109.02825	0.8
109.10126	0.6
119.04920	17.2
119.08504	0.4
120.08107	0.6
121.06506	0.5
123.04458	0.7
127.03837	0.6
127.11176	1.1
128.11531	0.4
131.04900	0.7
133.57690	0.4
137.06006	0.4
145.04866	0.4
147.04384	100.0
148.04681	2.1
163.03911	0.7
165.05446	3.2
169.23671	0.4
213.09099	0.7
249.39220	0.4
291.08670	1.8
309.09561	3.0
358.85095	0.5
428.17416	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.0
55.01856	4.0
55.05501	1.8
57.03429	14.0
59.04980	5.5
61.02925	7.8
67.05491	4.6
69.03424	22.0
69.07050	8.0
69.40242	16.7
71.01344	1.6
71.04974	4.7
73.02892	5.0
75.04458	5.3
79.05479	5.3
81.03399	8.6
81.07050	3.6
83.04956	15.7
85.02892	100.0
87.04436	3.7
91.03950	5.8
91.05461	4.5
93.03384	3.9
93.07014	7.8
95.04960	5.6
97.02871	25.1
97.06525	9.9
99.04439	4.3
99.08064	2.8
101.06007	5.1
102.03735	2.1
103.03958	1.9
105.06998	2.6
109.02863	11.4
111.04416	28.7
111.05185	2.2
117.09106	6.0
119.04915	40.4
121.02836	4.4
121.06449	8.3
123.04367	5.1
125.05963	30.1
127.03898	23.4
129.05478	4.8
131.63943	1.6
135.08015	2.9
136.22269	1.7
137.05942	7.4
139.03891	3.5
139.55217	1.6
143.07007	20.5
145.04947	43.2
147.04399	1.7
149.05945	28.0
150.07748	4.9
151.07527	2.2
158.53400	1.7
159.06523	10.5
163.06012	25.5
163.07379	3.7
165.34543	1.6
167.07004	60.0
168.11690	1.6
185.08057	54.6
195.10139	2.7
199.09622	48.7
206.91493	1.5
213.11240	3.8
217.10655	49.4
249.13304	21.1
325.11423	2.5
428.15305	1.8
428.20523	3.6
429.20740	5.7
431.85883	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3559
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05489	1.6
57.07059	1.1
57.61116	0.7
58.43457	0.7
66.60133	0.8
67.05478	3.2
69.03414	1.1
69.07059	4.9
69.38298	7.5
71.01282	0.8
78.45127	0.8
79.05470	2.2
80.30125	0.8
81.07037	8.8
83.04958	2.8
83.08595	3.6
87.04439	1.2
89.52347	0.7
89.53944	0.7
91.05460	2.1
93.07027	6.4
95.08584	12.6
97.06535	0.8
97.10151	2.4
98.20763	1.6
105.07029	5.8
107.08582	13.8
108.95404	0.8
109.06495	1.1
109.10137	8.5
110.00800	0.9
117.06968	1.0
119.08556	7.0
121.06477	1.2
121.10124	10.1
123.08005	1.9
123.11653	5.2
125.09546	0.9
125.83491	0.7
131.08501	1.9
133.10097	4.5
135.08012	3.1
135.11681	8.5
137.09604	1.3
143.08551	1.3
145.10065	2.8
147.11615	3.0
149.09587	11.8
149.13222	3.7
153.12697	0.7
157.10143	1.1
159.11661	3.4
161.13216	2.6
163.11145	1.3
163.14813	2.3
164.66962	0.9
165.09126	6.9
171.11615	1.7
173.13239	2.9
173.93298	0.9
175.14783	3.8
177.16339	8.3
178.01332	0.7
187.14886	1.1
189.12772	0.9
189.16362	2.5
191.10881	0.8
191.17900	1.2
199.14786	1.3
201.16359	3.1
203.14224	0.9
207.17532	0.9
215.18083	1.4
217.15764	1.9
219.17368	2.8
227.17905	0.8
233.18936	1.8
245.18889	0.9
255.21005	1.4
273.22049	6.3
285.22253	1.1
298.18140	0.8
303.23074	1.0
391.33273	1.0
409.34503	2.8
427.15433	3.3
427.35620	100.0
428.16098	2.3
428.35944	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	427.3566
Annotation	HMDB12167
Peak:m/z	Relative Intensity
55.05500	4.4
56.84848	0.5
57.03414	0.6
57.07063	2.1
67.05492	5.6
69.07056	5.7
70.75488	2.0
71.08610	1.2
77.03931	0.6
79.05471	4.5
81.07043	15.9
83.04975	0.9
83.08607	4.8
85.06519	1.5
85.10164	0.7
91.05463	4.4
93.07026	13.0
95.08591	21.8
97.06493	1.4
97.10143	2.9
99.08080	0.8
105.07008	10.3
107.08578	22.8
109.06477	1.8
109.10144	11.9
111.08045	2.4
111.11697	0.9
117.06995	1.9
119.08562	18.1
121.10124	18.0
123.08035	4.0
123.11670	4.9
129.06990	1.2
131.08559	7.0
133.10103	12.0
135.08037	2.0
135.11678	19.2
137.09572	1.5
137.13232	2.0
139.11183	1.0
141.06926	0.6
143.08524	1.8
145.10107	8.3
147.11664	13.6
149.09546	1.0
149.13243	10.6
151.11148	1.0
157.10130	2.6
159.11690	7.9
161.13237	7.5
163.11128	0.9
163.14796	10.7
163.16087	0.9
165.12723	0.9
167.10869	0.6
171.11655	1.6
173.13240	3.8
175.14790	5.3
177.12770	1.2
177.16350	9.5
179.14429	0.6
179.89771	0.6
183.11569	0.7
185.13275	2.1
187.14795	12.3
188.15234	0.6
189.16353	21.5
190.16670	0.7
191.14302	1.2
191.17934	3.3
197.13223	0.6
199.14844	1.4
201.16341	6.5
203.17842	3.5
205.15846	40.7
206.16293	1.4
207.17410	23.4
208.17764	0.8
211.14810	0.9
213.16370	2.1
215.17952	4.9
217.19505	2.2
219.17429	4.1
227.17924	1.5
229.19463	2.4
231.21101	0.9
235.20653	0.8
241.19525	1.7
255.21066	2.5
269.22705	2.4
273.22095	0.8
287.23691	0.7
324.32584	3.8
331.26208	6.2
341.28284	0.6
357.27908	2.1
359.52463	0.6
391.33377	2.8
409.34659	11.6
427.35684	100.0
428.35989	6.8
428.41138	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3564
Annotation	HMDB12167
Peak:m/z	Relative Intensity
53.03934	0.7
55.05502	3.3
57.03424	1.1
57.07056	0.9
59.15687	0.5
59.87542	0.5
67.05496	5.3
69.03412	0.7
69.07056	6.0
71.08608	1.2
71.28935	0.5
79.05465	4.2
81.07042	12.6
82.07378	0.6
83.04946	0.9
83.08595	3.1
85.06522	0.6
91.05466	3.4
93.07027	10.3
95.04972	0.8
95.08591	21.4
96.08915	1.0
97.06535	1.2
97.10157	2.2
105.07018	9.6
107.08578	19.7
109.06484	3.2
109.10140	9.9
111.08088	1.0
111.11687	0.5
117.06981	1.2
119.08567	13.3
121.06512	1.8
121.10128	14.0
122.10513	0.6
123.08054	3.3
123.11672	3.5
125.09616	0.9
129.06915	0.7
131.08548	5.6
133.10115	10.0
135.08028	2.1
135.11671	14.1
137.09598	0.8
137.13286	1.4
139.11147	0.9
143.08554	1.5
145.10114	6.2
146.20525	0.5
147.11659	11.2
149.09628	0.8
149.13220	7.6
151.11148	1.6
153.12692	1.2
157.10080	1.8
159.11655	5.6
160.12329	0.6
161.09584	0.5
161.13216	5.2
163.11125	0.8
163.14804	8.0
165.12755	1.5
171.11700	1.3
173.13275	2.4
175.14760	4.1
177.12712	0.7
177.16327	5.5
179.14288	0.9
185.13245	1.6
187.14780	10.0
189.12721	0.7
189.16353	16.8
190.16728	0.5
191.14296	1.5
191.17946	5.2
197.13399	0.7
199.14807	1.5
201.16370	5.4
203.17856	2.7
205.15846	27.9
206.16254	0.7
207.17421	16.3
208.17700	0.6
213.16380	1.3
215.17871	3.5
217.19507	1.4
219.17427	4.7
227.17989	1.0
229.19514	1.9
233.18965	1.2
235.20671	0.9
241.19533	0.9
247.20441	0.7
253.19621	0.6
255.21126	2.2
257.22498	0.6
267.21143	0.6
269.22644	2.0
287.23611	1.1
291.23215	1.9
295.24219	0.6
331.26245	5.5
357.27933	1.6
391.33548	2.6
409.29449	0.9
409.34589	11.2
410.34891	0.7
427.35654	100.0
428.30688	0.9
428.35989	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	427.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.05506	10.5
57.03426	2.0
57.07054	4.3
67.05487	24.5
69.03426	1.7
69.07055	21.9
70.87928	3.0
70.88290	2.2
71.08602	2.2
71.93275	1.8
79.05476	21.7
81.07039	49.0
83.04953	2.8
83.08588	11.5
85.06544	1.9
91.05457	16.8
93.07029	45.4
95.04985	2.3
95.08588	100.0
96.08980	2.7
97.10152	5.5
105.07013	38.2
107.08572	77.4
109.06481	4.2
109.10133	53.6
111.08065	2.4
111.11713	2.1
117.06996	4.7
119.08559	51.5
121.10124	60.6
123.08044	8.6
123.11685	15.0
125.09595	2.4
129.07022	2.3
131.08525	13.0
133.10101	40.5
135.08032	6.6
135.11671	37.3
137.09589	2.0
137.13261	6.6
143.08572	2.9
145.10107	24.9
147.11653	27.5
149.09581	6.6
149.13232	31.8
151.11145	2.2
157.10085	10.0
159.11664	18.1
160.77843	1.6
161.13214	32.6
163.11140	3.9
163.14801	28.3
165.12779	2.5
165.16415	1.9
167.10651	2.2
171.11653	9.3
173.13211	13.1
175.11224	4.2
175.14789	37.6
177.12747	5.8
177.16356	56.4
178.16792	2.1
183.11722	2.7
185.13240	5.8
187.14760	22.0
189.12779	3.5
189.16344	24.8
191.14304	3.7
191.17876	20.9
195.25606	1.6
197.13292	2.3
199.14822	4.6
201.16331	12.6
203.14308	2.2
203.17923	51.6
204.18262	2.0
205.15823	28.5
205.19437	3.6
207.17439	7.9
211.14714	2.2
213.16324	8.1
215.17947	8.5
217.15886	2.9
217.19531	5.2
219.17418	7.2
223.16881	15.4
225.16396	2.0
227.18001	3.6
229.19452	3.1
231.17451	6.2
231.21098	6.7
233.18927	2.3
241.19482	2.7
243.21062	3.5
245.18951	2.3
249.18535	7.7
255.21242	3.0
257.22708	3.4
259.20560	3.0
283.24066	1.9
295.24197	7.7
313.25052	13.0
321.25812	1.8
331.26273	13.0
357.27750	2.4
391.33423	16.6
409.34595	22.2
410.35031	2.3
412.69083	1.8
414.84775	1.8
427.35718	82.8
428.36118	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	427.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.05499	12.7
57.07067	8.7
57.26241	1.9
64.26180	2.0
67.05492	31.5
69.03405	4.8
69.06709	2.8
69.07059	33.6
70.07362	2.1
71.04948	2.1
71.08614	1.6
75.87041	1.7
79.05475	15.8
81.07047	57.1
83.04941	3.9
83.08607	15.1
85.06522	3.8
86.09691	50.1
87.04433	2.8
89.06017	3.2
91.05466	24.5
93.07027	44.9
95.04943	3.7
95.08594	100.0
96.08939	2.4
97.10146	7.3
99.08091	3.0
105.07013	51.0
106.07356	1.9
107.08577	66.0
109.06499	5.3
109.10143	52.0
111.08073	4.3
111.11719	2.5
117.07018	4.6
119.08563	63.2
120.08885	2.4
121.06529	4.3
121.10129	67.2
123.08054	7.9
123.11683	20.9
125.09589	3.0
129.06969	4.0
130.07791	2.4
131.08545	16.6
133.10107	47.4
134.10448	2.2
135.08022	4.8
135.11679	42.0
137.09549	2.7
137.13220	6.7
143.08537	7.3
144.09305	3.0
144.73732	1.7
145.10094	29.7
147.11671	41.0
149.09561	9.1
149.13246	34.7
151.11212	2.8
151.14842	3.9
156.09357	2.6
157.10132	6.2
159.11676	25.6
161.13240	30.3
163.11166	5.7
163.14803	32.0
164.15056	2.5
165.09166	1.8
165.12711	5.5
165.16408	2.7
167.10764	2.7
171.11647	8.4
173.09665	2.1
173.13264	17.0
175.11111	2.3
175.14822	39.2
177.12703	2.6
177.16370	36.7
177.41617	2.0
179.14302	5.6
183.11751	3.4
184.07335	4.0
185.13228	6.8
186.14876	27.5
187.14787	29.6
189.16339	39.3
191.14243	4.9
191.17935	32.4
195.13997	2.0
197.13243	3.1
199.14722	5.7
201.16336	25.8
203.12668	2.8
203.14369	3.3
203.17931	96.8
204.18306	2.9
205.15857	27.1
205.19536	5.6
205.93571	1.9
207.17447	4.9
213.16333	9.8
214.14296	13.1
215.17964	11.6
217.15875	3.7
217.19444	7.4
219.17384	10.6
221.15430	2.4
223.16879	10.5
227.17921	5.7
229.19495	8.4
229.67308	3.0
231.17432	5.3
231.20930	8.6
232.82700	2.2
237.18489	3.4
241.19522	8.2
243.21082	4.5
245.18976	2.3
247.20503	3.5
249.18546	3.2
253.19485	3.0
255.20992	3.9
257.22586	6.0
259.20496	5.6
266.98752	1.8
267.21158	2.4
269.22601	4.7
273.22095	2.1
281.28403	1.9
287.23648	2.3
314.19577	5.8
325.28842	2.7
335.26953	2.0
349.21283	5.7
367.22238	3.2
391.33533	16.0
399.28384	5.3
409.34726	42.9
410.35181	3.7
427.24466	77.2
427.35883	71.6
428.24677	12.3
428.35834	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	427.3564
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05502	1.9
57.07053	1.0
59.04992	0.5
67.05489	4.2
69.06715	0.4
69.07058	4.3
69.67225	2.0
71.04988	0.6
71.08616	0.5
79.05482	2.8
80.06250	0.3
81.06564	0.6
81.07042	10.4
83.04948	0.7
83.08604	2.3
85.06556	0.7
91.05453	3.0
93.07030	8.7
95.04931	0.8
95.08592	15.5
96.08909	0.4
97.06509	0.8
97.10150	1.3
98.21474	0.7
99.08073	0.6
105.07009	6.6
107.08572	13.5
109.06487	2.2
109.10141	7.9
111.08075	1.0
117.06998	1.0
119.08554	10.2
120.08904	0.5
121.06486	0.6
121.10126	10.2
123.08070	3.4
123.11681	3.0
125.09576	0.7
127.11117	0.5
129.06999	0.4
131.08556	4.6
133.10103	8.1
135.08044	1.8
135.10664	0.6
135.11676	11.5
137.09576	0.9
137.13213	1.1
139.11110	0.4
143.08548	1.1
145.10112	5.7
147.11665	10.0
149.09531	0.9
149.13240	7.1
151.11172	1.5
151.14857	0.4
153.12849	0.3
157.10126	1.5
159.11679	4.9
161.13214	4.6
163.14806	7.0
165.09111	0.5
165.12749	0.9
171.11688	1.0
173.13255	2.3
175.11177	0.5
175.14771	3.2
177.12733	0.9
177.16368	4.6
179.14291	0.7
179.75726	0.3
183.11646	0.4
184.07294	0.3
185.13208	1.1
187.14793	8.3
188.15089	0.5
189.16356	13.9
191.14276	0.9
191.17920	2.6
197.13348	0.4
199.14737	0.8
201.16364	4.4
203.17921	2.1
205.15846	26.6
206.16214	0.8
207.17407	14.9
208.17834	0.6
213.16296	1.7
215.17899	3.4
217.15862	0.4
217.19504	1.1
219.17418	2.2
227.17949	0.8
229.19467	1.9
235.20543	0.4
241.19475	0.8
243.21124	0.7
255.20990	2.4
257.22681	0.6
269.22650	1.9
274.01089	0.3
287.23709	0.4
291.23172	0.5
313.25351	0.4
315.05765	0.3
331.26254	5.0
357.27847	1.3
385.78635	0.3
391.33621	1.4
409.29593	0.4
409.34644	6.7
427.35651	100.0
428.35995	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	427.3563
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03936	4.1
55.05499	19.0
57.07065	7.5
59.04989	4.3
65.03925	2.1
67.05150	3.2
67.05490	26.0
69.03429	5.8
69.07052	30.4
69.45648	14.6
69.46063	4.7
71.04981	5.3
71.08610	4.6
74.19565	2.1
77.58092	2.0
79.05477	19.1
81.07039	60.7
83.04962	3.4
83.08597	18.0
85.06551	6.9
91.05455	22.9
93.07023	51.5
94.83264	2.0
95.04941	5.5
95.08587	82.5
97.06529	10.1
97.10178	9.0
99.08095	6.0
103.05434	2.7
105.07014	49.3
105.07666	4.0
106.07388	2.1
107.08577	75.8
107.09279	4.3
107.37540	2.5
108.08890	3.3
109.06522	7.5
109.10138	49.6
111.08090	4.3
113.09630	2.2
117.07030	9.1
119.08554	67.0
120.08870	3.0
121.06447	4.6
121.10115	63.8
123.08081	5.4
123.11681	18.1
124.12061	2.3
125.09650	8.1
127.11198	6.5
129.07005	5.4
131.08537	29.4
131.09366	2.8
133.10103	51.2
135.08049	3.8
135.11678	39.0
137.09637	3.3
137.13286	8.3
138.38496	2.2
139.11249	3.0
143.08519	11.7
143.10645	3.9
144.09315	2.8
145.10081	38.2
145.11104	2.7
147.08031	2.3
147.11668	48.1
147.12747	3.4
149.09668	3.8
149.13234	26.9
151.11183	2.7
155.08514	3.3
157.10080	15.0
158.10927	2.7
159.11676	32.2
160.12103	2.3
161.13225	39.3
163.07491	2.7
163.11229	5.6
163.14807	24.1
165.09210	3.3
165.12692	2.2
169.10120	5.2
171.11627	12.4
173.13239	26.8
175.11269	2.4
175.14798	31.0
177.12810	2.6
177.16393	21.0
179.14267	5.1
181.10086	2.7
183.11732	6.0
184.12367	3.0
185.13307	9.0
187.11217	3.5
187.14769	34.9
189.12857	3.3
189.16339	36.5
189.17854	2.7
191.14326	6.1
191.17932	16.7
193.15862	3.2
195.11829	2.3
197.13316	3.6
199.14876	9.2
201.16322	25.3
201.17935	2.4
203.14488	2.7
203.17967	21.4
205.15813	20.0
205.19496	3.5
207.17439	16.6
209.13277	3.1
211.14769	3.3
213.16415	8.3
215.17879	11.6
217.15952	5.4
217.19553	6.9
219.17340	10.2
221.18970	2.9
227.14447	2.7
227.18008	5.5
229.19608	6.5
231.17494	5.5
233.19057	2.8
239.17961	4.1
241.15997	3.2
241.19600	7.2
243.21165	3.6
247.20695	4.0
251.02319	2.2
251.17906	2.5
253.19705	3.4
255.21053	4.3
257.19098	2.5
257.22742	2.9
259.20584	2.9
269.22754	3.3
281.22641	3.0
283.24423	3.0
323.27457	3.6
391.19177	2.6
391.33621	15.3
409.27042	4.8
409.34641	59.4
427.28247	7.2
427.35846	100.0
428.28796	2.4
428.36157	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	427.2837
Annotation	Azafrin
Peak:m/z	Relative Intensity
53.03932	2.7
55.01855	2.9
55.05505	14.0
57.03428	1.0
57.07059	1.3
59.04977	1.9
65.01385	0.9
65.03918	1.4
67.05167	1.2
67.05498	17.6
69.03419	1.8
69.07055	10.8
69.77581	3.3
69.77995	2.5
71.04983	3.8
79.05477	17.6
81.07044	40.5
83.04968	5.6
83.08604	3.3
85.06534	9.3
91.05466	23.1
93.07029	44.4
95.04959	5.4
95.08595	42.2
97.06532	6.8
97.10122	1.8
98.20822	1.7
99.04441	8.0
99.08060	1.7
101.05990	7.5
103.05437	1.5
105.07014	64.5
106.07328	1.5
107.08579	49.2
108.43830	0.9
109.06490	6.0
109.10141	16.7
110.10484	1.0
111.08074	5.8
113.06006	1.4
115.05415	2.1
116.06204	1.9
117.07007	18.1
118.07776	3.9
119.08566	50.0
120.08866	1.2
121.06509	5.0
121.10127	34.8
122.10448	1.1
123.08051	5.8
123.11664	6.7
124.11946	1.0
125.09607	2.5
127.07553	1.6
128.06175	5.6
129.06976	12.4
130.07782	1.7
131.08548	44.9
132.09363	6.1
133.06485	2.1
133.10117	47.1
134.10513	1.0
135.08041	5.2
135.11671	38.6
137.09593	3.0
139.07570	1.1
139.11263	0.9
141.06944	4.4
142.07759	10.1
143.08548	36.3
143.09686	1.9
144.09328	4.6
145.06497	1.8
145.10100	56.6
146.10750	3.6
147.08006	5.5
147.11667	35.9
148.12221	1.0
149.09607	5.3
149.13234	10.1
151.07492	2.1
151.11140	4.0
153.09030	1.7
154.07742	1.6
155.08521	9.0
156.09335	5.2
157.10112	47.9
158.10797	3.3
159.08096	2.5
159.11671	49.6
160.08868	1.6
160.12114	1.0
161.09599	7.1
161.13229	18.8
163.07578	1.1
163.11150	12.3
163.14830	3.9
165.06940	1.7
165.09106	2.2
165.12756	4.6
167.08568	2.5
167.10706	1.3
167.38167	0.9
168.09288	1.4
169.10104	11.3
170.10886	3.9
171.08026	2.0
171.11670	33.4
172.12370	2.7
173.09595	4.0
173.13249	31.1
175.11174	14.0
175.14778	9.3
177.09090	1.7
177.12732	25.3
177.16322	1.3
178.13120	1.2
179.08513	1.5
179.10641	3.1
179.14247	2.3
181.10120	4.6
181.12155	5.5
182.10936	1.9
183.11665	11.3
184.12439	1.1
185.09608	3.6
185.13245	29.1
187.11162	4.0
187.14795	19.6
189.12747	10.6
189.16377	3.3
191.10667	2.2
191.14261	6.1
193.10262	1.9
193.12196	5.3
195.11711	6.2
195.13805	10.0
196.12494	1.9
197.09682	1.1
197.13237	13.2
199.11205	5.3
199.14786	21.8
200.15401	1.2
201.11086	1.2
201.12691	5.9
201.16325	9.5
203.10738	3.4
203.14314	7.4
203.17987	1.7
205.12213	4.0
205.15814	2.9
207.11794	1.7
207.13780	9.2
209.13255	7.9
209.15300	2.7
211.11163	2.0
211.14769	6.5
213.12700	6.6
213.16292	6.2
215.14299	7.5
215.17816	1.4
217.12312	5.3
217.15773	5.0
217.19371	1.1
218.34657	0.9
219.13754	7.1
219.17450	3.1
221.13318	2.3
221.15425	4.7
223.14810	3.3
225.12701	1.4
225.16313	5.3
227.14278	9.5
227.17915	4.0
229.15872	3.0
229.19469	1.2
231.13768	15.5
231.17374	1.5
233.13191	1.8
233.15337	10.9
235.14810	2.4
235.16954	2.1
237.16409	1.9
239.14275	1.9
239.17931	3.7
241.15881	2.2
243.13870	2.6
243.17479	1.8
244.79633	1.0
245.15346	13.9
247.14854	2.0
247.16962	4.2
249.16464	1.8
249.18651	1.4
251.17995	2.2
253.15887	2.7
253.19443	2.6
255.13873	1.1
257.15280	1.2
259.17041	1.8
261.18430	2.1
265.19479	2.0
267.17352	2.7
267.21060	1.1
271.16943	2.5
273.18436	2.0
275.17969	1.1
277.19778	1.3
281.18964	1.0
283.16949	1.7
285.18494	2.0
289.19424	1.4
291.20999	1.2
293.18982	1.1
295.17126	1.2
295.20496	1.7
309.22110	1.8
313.21667	1.6
317.22574	1.4
321.22202	1.1
325.21750	1.1
327.23230	3.3
335.23642	3.8
339.23343	1.4
345.25757	6.7
351.23312	1.7
353.24753	4.2
355.24277	1.1
363.22559	2.3
363.26797	24.8
364.26828	2.0
365.28305	3.7
373.25305	7.8
381.23148	2.0
381.27866	39.0
382.28305	2.2
383.29477	3.1
391.26236	34.7
392.26526	1.4
409.27286	40.1
410.27399	3.0
427.28387	100.0
428.28702	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01875	9.7
55.05503	85.4
57.03433	18.9
58.93101	1.6
59.05004	2.5
65.03933	1.5
67.05159	2.6
67.05496	35.6
69.03419	12.7
69.07058	19.0
70.18791	7.6
71.04976	4.7
79.05479	57.2
80.05797	1.8
81.03405	86.9
81.07046	51.0
82.03730	1.9
83.04979	17.4
83.08610	47.6
85.02892	28.8
85.06526	5.1
87.04474	3.3
88.10032	1.4
91.05476	34.5
93.07036	22.5
95.04960	34.2
95.08585	15.2
97.02874	6.8
97.06527	7.1
97.10159	51.9
97.33383	1.7
98.21446	2.2
99.04422	2.7
99.08077	2.5
105.07013	28.1
105.07668	2.4
107.04952	7.6
107.08575	29.8
109.02876	3.6
109.06495	8.8
109.10145	6.8
111.04434	2.6
111.08064	13.2
113.06028	2.1
117.07012	3.4
119.04962	2.0
119.08561	24.7
119.32639	1.6
121.06531	4.2
121.10126	13.3
123.04411	2.8
123.08051	5.3
123.11693	3.1
125.09612	42.9
126.74055	1.5
129.06998	11.4
131.08530	15.4
133.06474	4.1
133.10104	11.1
135.08028	2.9
135.11710	3.9
137.05986	2.7
137.09644	3.3
138.08284	1.9
139.03951	2.0
141.07056	2.2
142.07777	4.9
143.08528	2.9
143.10655	8.5
145.10120	7.1
147.08028	4.8
147.11659	20.3
149.09631	4.6
151.07545	2.1
157.10103	19.6
159.11652	3.5
161.09618	2.2
163.11142	2.1
163.53174	1.6
165.12755	3.8
171.11673	2.4
173.09637	3.3
173.13251	2.0
175.11166	13.5
185.13342	2.5
191.10695	2.1
193.12213	86.4
194.12598	2.6
195.02850	5.6
199.13268	22.0
199.14944	2.4
211.13261	69.3
212.13655	3.1
217.14320	26.4
249.14896	3.2
267.15897	36.8
273.04218	1.6
285.16861	17.7
299.20212	2.1
317.21100	7.9
335.22229	10.3
363.23196	2.5
381.24234	2.0
409.25858	41.6
412.66458	1.8
427.14014	5.0
427.19864	5.1
427.26895	100.0
428.27396	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	427.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60540	0.1
52.89577	0.1
55.01848	0.2
57.04546	0.4
69.03438	0.1
69.60373	0.9
91.05468	0.2
94.04044	1.3
97.10129	0.2
98.20657	0.2
102.75971	0.1
112.05103	0.2
116.97279	0.1
119.03581	0.2
123.04382	1.1
123.06642	0.8
133.05067	0.4
135.04335	0.3
135.05322	0.2
139.03870	2.2
147.04416	0.3
148.06155	0.2
150.07727	100.0
151.03798	0.1
151.08179	1.3
163.03877	0.4
164.10951	0.1
165.05414	0.2
167.03334	0.3
179.03358	0.2
185.06026	0.2
191.03346	0.7
193.05035	0.2
201.05383	0.2
203.03351	0.3
229.05049	0.3
233.04437	0.5
245.04468	0.3
247.05949	0.4
257.04446	0.5
275.05518	1.0
282.11960	0.8
282.74863	0.1
283.05939	0.3
285.09061	0.2
287.05481	1.3
295.11459	25.1
296.11700	1.0
301.06946	0.4
315.39951	0.1
332.09189	0.1
381.64911	0.1
409.08969	0.5
427.10187	0.2
427.19757	1.0
437.50079	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	425.3771
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.02344	1.6
51.14033	1.3
53.03940	4.3
55.01871	1.6
55.05502	18.6
57.03420	1.7
57.07069	7.9
59.04995	1.7
60.39058	1.3
65.03938	2.3
67.05493	32.0
69.03403	3.1
69.07056	32.3
69.67133	11.3
70.85710	1.4
71.04979	2.1
71.08614	2.3
74.36983	1.4
79.05475	21.7
81.07043	69.8
83.04964	3.0
83.08601	16.0
85.06507	2.4
86.09701	1.8
91.05457	23.0
93.07027	55.6
94.07354	2.8
95.04957	4.8
95.08589	100.0
96.08923	1.9
97.06512	3.5
97.10149	8.0
102.48161	1.3
104.54576	1.4
105.07011	49.3
107.08573	87.6
108.08927	2.9
109.06532	7.1
109.10139	64.5
110.07112	1.4
111.08061	4.5
111.11727	1.9
117.07004	5.4
119.08562	65.7
121.06470	2.1
121.10121	68.9
121.11007	3.4
123.08051	6.7
123.11680	30.5
124.12016	1.7
125.09618	3.2
129.07010	4.7
131.08554	16.7
133.10109	43.9
134.10461	2.4
135.08049	4.7
135.11662	67.4
136.12007	2.0
137.09581	3.4
137.13240	22.3
139.11159	3.4
141.14508	1.4
142.07759	2.2
143.08542	8.4
144.09323	1.7
145.10092	26.2
147.08014	2.5
147.11662	39.2
147.12778	2.7
149.09601	2.6
149.13232	41.2
151.11240	2.7
151.14798	4.9
153.12770	1.7
155.08484	3.1
157.10120	10.6
159.11659	25.1
161.09662	2.4
161.13234	39.1
161.14577	2.0
163.11188	5.1
163.14775	33.8
165.12718	4.7
169.10129	2.5
171.11696	7.8
173.09656	1.6
173.13251	15.0
175.11183	3.7
175.14760	17.4
177.12752	3.3
177.16341	14.9
179.14322	10.4
183.11623	4.6
184.07376	5.2
185.13240	7.6
187.14786	16.0
189.12779	3.3
189.16336	31.4
191.14340	3.9
191.17931	26.7
195.11667	2.4
197.13333	4.0
199.11191	2.1
199.14810	7.7
201.16338	14.0
203.14351	8.2
203.17924	34.3
205.12073	1.7
205.15849	4.1
205.19521	8.9
207.17459	5.8
211.14897	2.2
213.16341	6.5
215.17888	10.7
217.12148	2.1
217.15910	4.4
217.19478	32.0
219.17453	2.2
219.21056	5.0
221.18936	1.9
225.16396	2.7
227.17949	4.0
229.19403	7.4
231.17517	2.0
231.21069	4.6
233.18887	3.5
237.16339	2.4
239.17882	1.9
241.19473	4.2
243.21123	3.3
245.22560	9.6
247.20650	1.8
253.19470	3.8
255.21059	2.7
257.22546	2.3
259.24036	2.2
265.98975	1.5
269.18988	1.6
269.22403	2.5
271.24100	3.7
273.25696	1.6
285.22195	2.1
287.05286	2.0
367.33591	2.9
379.29919	2.4
389.32092	3.1
407.32349	8.5
407.37616	14.6
425.33423	17.5
425.38589	77.2
426.38403	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	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.59008	3.2
55.05505	11.2
55.82484	2.8
57.07064	11.0
64.85320	2.7
67.05493	25.3
69.07064	37.2
70.62727	10.5
79.05461	16.8
81.07043	65.0
83.08616	13.8
84.88014	2.6
86.09707	14.5
89.06053	5.7
91.05479	13.5
93.07029	41.5
93.07545	4.6
94.47189	3.4
95.08597	97.1
97.10169	10.7
97.61230	3.3
99.31269	2.9
105.07024	21.1
107.08586	63.3
107.09280	4.5
109.10139	76.7
111.08121	5.1
111.11727	6.2
119.08556	39.6
121.10123	59.4
121.10890	4.8
123.11686	35.0
131.08571	7.0
133.10120	35.1
135.11668	43.3
135.12529	3.2
137.13252	21.1
145.10094	17.0
147.11658	28.2
149.13240	28.1
159.11687	17.3
161.13235	22.9
163.14801	26.0
171.11812	4.6
173.13255	14.5
174.15218	3.3
175.14809	22.5
177.16348	19.2
179.17924	3.4
184.07262	3.8
185.13345	6.1
187.14879	13.6
189.16376	23.1
191.18010	11.9
201.16382	14.7
203.14249	7.6
203.17996	12.9
203.44218	2.8
205.19513	7.4
207.17500	8.5
213.16414	4.7
215.18005	8.8
217.19527	17.1
219.21143	3.7
227.17999	4.0
229.19617	9.9
231.21045	14.2
239.14964	4.6
240.15256	3.6
241.19577	5.2
243.21060	16.2
245.22566	13.8
255.20978	3.7
257.22687	9.2
259.24313	4.8
269.22784	11.5
271.24371	11.3
283.24213	4.0
285.25668	8.5
311.27438	6.8
329.28461	7.8
341.28833	3.0
351.30704	3.3
402.06235	3.4
407.36713	33.4
408.37604	4.3
425.37955	100.0
426.38184	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	425.377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76455	2.4
52.54448	2.2
54.30553	2.8
55.05503	17.1
57.07069	7.4
58.60879	2.6
60.29346	2.5
60.57676	2.6
61.45742	2.4
67.05499	29.9
67.10610	2.7
69.07059	50.3
69.07408	4.5
70.80573	5.2
71.04969	3.1
71.08636	4.4
79.05490	17.9
81.07047	93.7
81.07513	5.0
83.04974	4.8
83.08607	21.7
89.06031	5.5
91.05490	10.9
93.07031	51.6
95.08590	98.8
97.06492	4.6
97.10175	10.4
101.45563	2.6
105.07014	37.0
107.08585	65.8
109.06546	4.3
109.10146	78.4
111.08078	4.7
111.11719	7.5
117.07000	2.9
119.08565	39.9
119.57574	2.4
121.10124	57.6
121.10897	4.0
122.10474	2.6
123.11691	38.2
123.12560	2.9
125.09633	6.3
127.11111	3.2
131.08560	8.7
133.10115	27.9
135.11676	43.4
137.13248	21.4
139.11182	2.9
143.08540	3.4
144.47845	2.8
145.10095	15.7
147.11655	35.8
149.13235	36.7
151.11176	3.9
151.14870	3.6
157.10141	5.2
159.11668	16.9
161.13229	21.3
163.14809	17.8
165.16466	3.0
167.07083	8.3
167.14372	2.8
173.13272	11.0
175.14787	21.2
177.16351	20.8
179.14241	2.6
185.13289	5.6
187.14830	14.4
189.16356	17.3
191.17966	16.6
195.17433	2.7
201.16431	10.2
203.17926	22.5
205.19490	4.8
207.17480	3.7
213.16345	4.8
215.18008	8.0
217.19493	21.7
219.97783	2.4
227.17908	4.8
229.19522	10.8
231.21132	10.8
233.22668	4.2
239.14987	3.5
241.19579	2.8
243.21234	2.6
245.22681	3.5
255.21185	3.5
257.22659	6.5
259.24207	5.2
271.24121	6.3
285.25717	6.1
325.28839	5.4
343.30029	5.4
375.06339	2.6
407.36835	15.9
425.37875	100.0
426.38318	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3773
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03928	2.9
55.05502	17.5
57.07061	8.0
59.05000	2.8
67.05495	33.4
69.03401	2.1
69.07058	62.5
69.57106	13.6
69.74079	1.6
71.04987	3.4
71.08615	4.8
73.47889	1.5
79.05481	22.9
81.07046	100.0
83.04993	2.3
83.08611	16.2
85.05435	2.0
85.06541	2.2
85.57679	1.6
89.06040	2.5
91.05456	15.5
93.07030	46.9
93.07613	2.6
95.04967	3.6
95.08595	78.6
97.06539	2.8
97.10168	6.5
98.21489	3.0
105.07014	33.6
107.08582	65.8
109.06538	2.0
109.10144	72.7
109.64790	2.0
111.08089	3.7
111.11732	5.7
115.05350	1.8
117.07045	2.9
119.08566	33.8
119.09338	3.1
119.34180	1.5
121.10129	61.4
123.08105	2.0
123.11685	31.3
125.09616	8.4
127.11223	4.9
131.08537	10.6
133.10121	21.8
135.11684	34.6
137.13245	17.9
138.50444	1.7
139.11180	3.4
143.08543	1.8
145.10120	13.2
145.50676	1.5
147.11667	34.2
147.12761	2.2
149.13240	56.6
150.13533	2.0
151.14865	2.2
157.10130	3.8
159.11681	16.8
161.13245	19.8
163.11206	1.6
163.14816	12.3
171.11708	5.0
173.13258	11.4
175.14806	15.0
177.16373	15.5
179.14290	2.2
185.13264	3.8
187.14830	12.8
189.16324	16.6
191.17928	8.0
193.16086	2.0
199.14894	2.4
201.16449	7.2
203.17928	13.3
205.19560	3.1
213.16515	4.1
215.18010	6.5
215.62575	1.7
217.19476	11.5
220.33821	2.0
227.18065	4.1
228.18849	2.4
229.19461	10.2
231.21175	6.7
233.19109	2.1
241.19579	1.8
243.21123	4.1
244.79802	1.8
245.22827	2.6
255.21129	3.2
257.22757	6.8
259.24377	4.2
269.22559	3.2
271.24127	3.9
283.24179	3.3
285.25760	4.1
301.25104	2.4
339.30487	3.3
369.31628	3.0
407.36624	18.9
425.37912	57.7
425.81848	1.6
426.38159	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03928	3.3
55.05501	14.9
57.07076	7.5
65.03928	2.1
67.05495	33.8
69.03407	3.4
69.07058	25.6
70.75546	1.3
71.04967	1.6
71.08619	1.8
79.05484	16.9
81.07047	72.7
83.08609	12.7
85.10204	1.3
91.04515	1.3
91.05464	14.6
93.06461	2.4
93.07032	44.3
95.04982	1.9
95.08595	100.0
97.06519	6.2
97.10152	10.0
99.08044	3.0
105.07014	34.2
107.08579	71.1
108.08894	2.0
109.06538	2.6
109.10139	85.4
111.08065	3.3
111.11700	3.3
117.07001	3.0
119.07782	3.0
119.08575	41.7
119.09432	2.1
121.10131	51.3
123.08052	4.3
123.11703	29.6
125.09602	8.7
127.11171	4.0
131.08568	11.5
133.10106	34.9
135.10670	2.7
135.11673	46.0
137.09618	1.9
137.13237	23.9
143.08553	3.3
145.10109	17.5
147.11662	32.5
149.13234	34.9
149.14355	2.5
151.14795	3.7
153.12791	1.8
157.10136	5.5
159.11653	18.9
161.13231	26.3
163.14801	22.0
165.12694	3.7
169.10185	1.7
171.11633	4.3
173.13242	8.1
175.11252	1.9
175.14804	14.6
177.16373	13.6
179.14346	6.7
183.11618	2.6
185.13199	5.2
187.14781	11.1
189.16353	27.5
189.17888	2.6
191.17909	42.9
191.19579	2.9
193.19504	1.3
199.14774	4.2
201.16335	13.8
203.14253	7.2
203.17915	27.1
205.15854	2.3
205.19496	12.2
207.17407	10.7
211.14774	1.8
213.16319	2.4
215.17926	14.2
217.15894	3.8
217.19484	30.1
219.17447	3.7
219.21111	2.4
221.18866	2.0
225.16269	2.0
227.17920	2.0
229.19456	3.8
229.70099	1.7
231.21057	3.1
233.18990	4.1
235.20517	1.8
243.21082	4.1
245.22697	2.5
255.21190	2.2
257.22562	2.7
269.22577	2.4
283.24106	2.6
297.25790	2.3
299.27203	1.8
325.28882	1.5
353.39850	1.4
407.32089	2.6
407.37048	19.1
425.33188	12.3
425.38422	58.9
428.13263	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.4
55.05500	16.0
56.06529	1.2
57.07064	6.3
59.04978	1.1
59.28372	1.1
65.03936	1.5
67.05492	29.6
69.03403	2.2
69.06667	1.5
69.07052	28.4
71.04977	1.9
77.03893	1.1
79.05071	1.1
79.05479	18.7
81.07043	64.7
82.07354	1.1
83.04942	1.7
83.08606	12.8
85.06487	2.5
91.05461	19.0
93.06482	1.9
93.07032	46.4
95.04900	5.2
95.08591	100.0
96.08889	2.4
97.06519	6.8
97.10156	7.1
98.20776	3.2
99.08083	1.9
103.05437	1.4
105.07011	49.6
107.08575	75.3
108.08879	1.9
109.06445	5.2
109.10136	77.0
111.08038	5.0
111.11664	2.7
113.09579	1.4
117.06951	5.5
119.08562	61.5
120.08872	1.8
121.06445	2.8
121.10123	56.0
122.10457	1.4
123.08034	7.6
123.11694	26.7
125.09566	5.4
127.11176	2.9
128.06175	2.0
129.06943	3.0
131.08534	13.3
133.06438	1.5
133.10112	45.8
134.10376	1.8
135.08000	3.5
135.10692	2.3
135.11670	44.7
136.11984	1.7
137.09566	4.1
137.13222	14.2
139.11110	1.8
140.06039	1.2
141.06882	1.2
142.07663	1.5
143.08557	8.8
144.09271	1.3
145.09030	2.1
145.10092	27.2
147.08078	6.2
147.09055	1.4
147.11667	42.5
148.12032	1.5
149.09587	2.5
149.13228	31.4
150.13445	1.6
151.11156	2.9
151.14731	2.6
152.11389	1.3
153.09010	2.7
153.12738	1.9
155.08456	2.3
156.09305	2.9
157.10091	10.8
159.08000	2.0
159.11681	22.1
161.09552	3.7
161.13226	33.2
163.11143	2.9
163.13582	2.0
163.14801	20.7
165.09044	1.7
165.12727	2.9
169.10062	3.7
171.11673	16.1
173.09590	1.3
173.13226	19.7
175.11099	2.8
175.14810	21.7
177.12755	8.1
177.14993	1.6
177.16365	15.3
179.14313	6.3
183.11613	3.3
184.07259	3.2
185.13249	9.8
187.14795	16.7
189.12767	7.9
189.14766	1.7
189.16364	32.0
190.16660	1.6
191.14278	10.6
191.17902	34.6
193.15741	1.6
195.11539	1.6
197.13158	3.3
199.14839	5.8
201.12682	2.6
201.16353	14.8
203.14296	21.4
203.17932	30.1
205.15833	14.3
205.19495	7.4
207.11620	1.4
207.17401	9.3
209.13168	2.6
211.14685	3.5
213.16364	7.0
215.14409	2.0
215.17879	10.9
217.15738	5.4
217.19479	21.0
219.17337	3.3
219.21046	3.2
221.18916	2.4
221.95947	1.4
223.14812	1.3
225.16371	2.4
227.17828	4.0
229.15854	1.6
229.19376	4.6
231.17349	3.2
231.20943	2.8
233.18922	2.7
235.16788	2.3
235.20427	3.2
239.17783	2.1
241.19348	4.1
243.20959	4.4
245.18703	1.7
245.22563	4.0
247.20552	1.6
253.19394	4.5
255.20943	2.8
257.22427	3.3
259.24142	2.2
265.19299	2.1
267.20895	2.2
269.22577	2.8
271.20386	2.7
271.24069	2.3
281.22339	1.6
283.20346	4.2
283.24023	2.6
291.20987	1.4
299.27216	2.0
309.25974	1.3
315.26520	1.7
361.28702	3.2
379.25494	1.8
379.29791	14.0
389.31940	2.3
407.28900	6.0
407.32797	8.1
407.36713	9.7
425.33810	93.9
425.37518	14.2
426.34427	7.9
429.25494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35608	1.1
53.03913	2.7
55.05500	13.4
57.03420	1.3
57.07073	6.6
65.03903	1.4
66.44909	1.3
67.05487	32.9
69.03412	2.2
69.07055	29.9
71.04969	1.3
71.08594	2.8
71.32980	1.7
71.33305	1.4
79.05477	16.5
81.07040	72.2
83.04963	2.1
83.08594	13.2
85.02888	6.5
91.05459	15.0
93.07022	46.1
95.04967	1.7
95.08588	100.0
96.08910	2.1
97.06537	7.3
97.10135	8.8
99.08079	3.2
101.67760	1.2
103.05408	1.4
105.07011	38.5
106.07335	1.6
107.08575	71.2
108.08900	1.4
109.06530	2.3
109.10132	88.5
110.10528	1.3
111.08041	3.7
111.11700	4.6
117.07006	2.9
119.08559	43.5
119.40562	1.2
121.10118	52.4
123.08041	4.7
123.11685	31.0
125.09610	6.6
127.11186	3.0
129.06912	1.7
131.08554	9.3
133.10100	32.8
135.08047	1.5
135.11670	42.5
137.09602	1.6
137.13219	18.3
143.08499	2.4
145.10103	17.2
147.11659	32.5
149.09543	1.9
149.13228	35.2
151.11099	1.4
151.14778	3.3
157.10094	5.1
159.11641	15.6
161.09518	1.6
161.13225	29.8
163.11128	1.3
163.13548	2.4
163.14792	24.1
165.12685	2.7
169.10037	1.9
171.11691	4.2
173.13232	12.0
175.11130	1.4
175.13448	1.8
175.14812	18.3
177.16333	10.7
179.14233	7.3
182.63939	1.2
183.11546	1.4
184.07309	1.7
185.13210	3.7
187.14832	9.5
189.16321	27.2
190.16760	1.1
191.17912	47.9
192.18370	1.7
199.14793	3.6
199.39542	1.2
201.16325	12.4
203.17924	23.5
205.15884	3.3
205.19470	14.4
207.17387	9.3
208.17746	1.4
211.14861	1.8
213.16306	2.9
215.17928	11.5
217.15839	3.4
217.19476	36.6
218.19896	1.5
219.17409	2.8
219.21005	4.4
221.18993	2.4
225.16429	1.7
227.17931	1.5
229.19492	4.3
231.20926	2.8
233.18958	3.8
235.20490	4.7
241.19447	2.6
243.21028	2.2
245.22606	5.1
255.17328	4.7
255.21094	2.7
257.22589	5.2
259.23969	1.7
264.54599	1.3
269.18793	1.5
269.22543	1.5
271.24118	2.8
285.25763	1.4
295.20514	2.4
297.25601	2.2
299.27338	2.1
311.23450	1.3
311.27142	1.3
323.23715	1.7
355.29956	1.8
369.31418	1.9
407.32559	5.3
407.37198	16.0
425.38260	55.8
426.35687	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	425.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
55.05503	15.7
57.03412	2.6
57.07053	8.2
59.04991	2.5
65.03930	2.2
67.05157	3.2
67.05493	35.8
69.07059	60.5
69.50063	17.5
71.04976	2.6
71.08611	3.1
72.68436	2.1
79.05472	20.1
81.07047	100.0
83.08598	17.1
85.06506	3.8
86.09686	7.6
91.05460	16.2
93.07034	43.6
95.04960	4.6
95.08594	95.4
96.08918	3.8
97.06464	2.4
97.10157	10.5
98.21632	1.9
99.08072	3.6
105.07016	34.0
107.08583	58.7
107.33625	2.1
109.06486	4.3
109.10141	73.7
111.11120	2.1
111.11718	22.4
117.06972	3.2
119.08572	38.5
121.10123	49.6
122.10396	2.7
123.08086	4.4
123.11695	32.7
125.00014	5.9
125.09622	4.1
131.08580	10.3
133.08597	3.1
133.10103	28.0
134.08937	2.6
135.08073	2.1
135.11662	43.5
137.09607	6.3
137.13229	18.8
143.08557	5.9
145.10074	18.4
147.11671	28.1
149.13235	28.9
151.11200	5.1
151.14757	2.6
157.10107	8.4
159.11652	16.6
161.13237	19.9
163.14803	20.5
165.12674	3.0
171.11661	6.8
173.13284	15.5
175.14784	21.0
177.16371	20.6
184.07251	21.6
185.13167	5.8
187.14738	12.7
189.16342	17.9
191.17966	10.1
193.15927	2.6
195.17429	9.3
199.14784	7.3
201.16368	10.3
203.14294	3.7
203.17917	15.1
213.16393	3.6
215.17912	9.2
217.19437	11.4
227.17960	4.4
229.19496	4.6
231.21074	5.0
233.18913	2.7
235.16925	7.6
237.50917	2.0
239.14687	3.0
240.15196	3.7
241.19444	3.3
243.21048	4.0
253.19467	2.1
255.21007	4.4
257.22491	5.8
259.24185	5.7
269.22577	2.6
271.24213	5.8
283.24188	3.4
297.25476	2.5
301.25006	3.5
311.27246	2.8
389.31931	3.5
407.32098	4.1
407.37283	15.3
425.33569	23.8
425.37695	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05502	31.3
57.03410	3.6
57.07062	9.2
63.76178	3.2
65.11760	3.3
67.05500	32.2
68.74995	4.4
69.07059	29.8
69.59323	14.5
69.59734	11.1
71.04980	3.3
71.08625	6.9
74.23031	3.3
79.05493	18.4
79.87266	3.2
80.01202	3.1
81.07047	63.3
83.04982	3.3
83.08585	14.5
85.06519	4.7
89.06022	5.3
91.05458	15.1
93.06571	2.9
93.07044	42.2
94.24116	3.4
95.04939	4.0
95.08594	100.0
97.10173	19.5
103.01888	3.4
105.07008	39.7
107.08572	72.5
108.08962	3.8
109.06506	4.4
109.10140	73.1
111.08049	6.3
111.11697	6.5
112.99917	4.2
117.06963	4.3
119.08559	59.3
120.08804	4.4
121.10139	51.0
123.08062	5.2
123.11682	38.1
127.11106	4.2
131.08545	15.5
133.08594	6.1
133.10103	55.7
135.11658	54.5
137.09538	4.9
137.13226	13.8
143.08513	9.9
145.10117	23.1
147.11679	40.0
148.77293	3.4
149.02272	5.3
149.13237	25.3
151.11174	6.5
157.10110	9.9
159.11673	22.2
161.13257	33.3
163.14827	27.5
171.11615	6.0
173.13162	18.6
175.14792	28.8
177.16347	17.8
179.14261	10.7
184.07295	3.7
185.13225	7.6
187.14783	19.1
189.16356	32.9
191.17952	17.6
197.13260	4.3
199.14812	8.3
201.16411	18.5
203.14270	11.4
203.17900	25.5
205.19533	10.0
207.17412	24.7
213.16351	6.5
215.17857	16.5
217.16158	3.7
217.19495	24.8
219.21130	3.9
221.18958	4.7
227.17902	5.5
229.19504	9.3
231.21004	9.9
239.14828	7.0
240.15195	5.5
241.19498	6.4
243.21124	5.4
245.22583	12.0
255.20903	5.7
257.22662	10.6
269.22549	6.8
271.24124	8.0
285.25854	4.5
297.25696	5.9
311.27057	4.1
315.39551	3.9
329.28259	5.3
365.32248	4.3
372.91409	4.1
407.32523	10.7
407.37225	30.6
425.33005	52.9
425.38046	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	425.3772
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.49095	2.6
55.05499	17.7
57.07062	13.3
67.05499	37.2
69.03429	3.7
69.07059	50.4
69.92913	17.9
71.04978	6.8
71.08612	4.3
79.05496	20.3
81.07045	98.1
83.04977	8.7
83.08596	21.7
89.05993	8.2
91.05444	20.9
93.07027	56.8
95.04923	3.4
95.08598	100.0
97.06481	4.0
97.10162	16.4
98.41183	3.4
102.98820	2.9
105.07018	43.4
107.08578	64.5
109.06524	3.8
109.10141	72.8
111.08053	4.5
111.11711	7.8
114.10915	3.8
117.07038	4.7
119.07756	5.8
119.08568	52.7
121.10128	60.2
123.08048	5.3
123.11691	38.5
125.09621	11.8
129.83871	2.9
131.08563	15.3
133.08592	6.2
133.10121	33.1
135.11659	38.0
137.09604	5.4
137.13258	12.7
138.42641	3.0
139.11188	6.2
143.08588	6.9
145.10109	21.2
147.11682	45.0
149.13225	35.9
157.10138	4.4
159.11655	18.8
161.09593	2.9
161.13228	25.2
163.14780	20.0
165.12773	3.6
171.11661	6.2
173.13235	25.7
175.14798	21.0
177.16388	25.3
179.17949	4.1
185.13234	6.8
187.14731	14.0
189.16420	15.4
191.17990	8.2
199.14799	5.5
201.16367	13.1
203.14304	6.8
203.17873	22.7
213.16441	6.1
215.17928	12.5
217.15880	3.6
217.19466	15.6
227.17905	7.0
229.19496	12.6
231.17479	4.1
231.21120	9.3
233.19044	4.0
235.16911	9.0
239.14874	6.6
240.15163	6.0
241.19518	3.6
243.20961	8.6
245.22498	4.6
257.22537	3.6
283.24191	4.7
284.40521	3.1
285.25723	4.3
297.25687	4.2
311.27057	3.3
325.28842	24.4
343.29959	16.0
351.30240	3.7
355.29919	5.4
369.31543	3.6
407.32092	3.4
407.36993	25.9
425.33585	17.1
425.38556	62.6
437.58307	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.377
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05503	10.3
57.03428	2.0
57.07064	5.4
67.05495	24.2
69.07056	24.6
71.04993	1.6
71.08609	1.5
79.05480	13.1
81.07043	51.0
83.08627	11.1
91.05463	13.6
93.07030	40.6
95.04968	2.3
95.08593	100.0
97.06479	1.6
97.10144	6.3
105.07014	26.7
107.07853	2.8
107.08575	52.6
107.09282	2.6
107.17744	1.4
108.08950	2.0
109.06477	1.8
109.10136	60.8
111.08067	3.6
111.11715	4.8
117.07002	3.8
119.08566	27.0
119.09341	2.4
121.10125	47.8
123.08033	2.6
123.11688	23.7
125.09630	3.4
129.58943	1.5
131.08562	4.9
133.10107	22.3
135.11674	39.3
137.13240	12.6
139.11223	2.0
142.60486	1.4
145.10110	9.0
147.11656	26.5
148.27841	1.9
149.13243	49.0
151.14835	1.8
157.10025	2.2
158.59143	1.4
159.11681	11.8
161.13251	21.8
163.14786	24.0
165.12723	1.5
165.28778	1.6
171.11528	1.8
173.13217	7.7
175.14806	15.9
177.16373	19.7
179.14293	5.6
179.17867	1.7
187.14780	10.2
189.16368	15.0
191.17918	53.2
192.18346	2.2
196.28557	1.7
197.13318	1.9
199.14792	1.8
201.16360	7.9
203.17935	19.7
205.19490	23.4
207.17453	5.7
213.16318	2.1
215.17905	8.9
217.19478	29.1
219.21053	2.7
221.19109	3.1
227.17915	2.8
229.19582	5.1
231.21112	6.4
233.18929	16.2
235.20508	10.0
241.19502	2.2
243.21173	2.1
245.22581	8.4
247.20532	2.6
255.21072	3.1
257.22531	3.0
271.24045	1.5
283.24152	2.7
301.25201	2.2
359.09091	1.4
370.77057	1.4
397.38333	1.9
398.92639	1.4
407.31961	2.4
407.37140	16.6
410.46786	1.5
425.38031	44.6
426.38220	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18664	2.0
53.03939	2.4
55.01860	2.9
55.05283	2.2
55.05508	17.6
57.03422	1.7
57.07060	5.7
59.99984	1.9
64.58905	1.6
67.05502	32.7
69.03422	6.1
69.07063	25.2
69.54156	15.6
71.04987	4.0
79.05493	24.9
81.03449	1.9
81.07050	71.6
83.04955	5.3
83.08611	12.7
85.02913	2.2
85.06512	5.3
90.62997	1.7
91.05470	24.5
93.07032	51.3
94.07349	3.1
95.04950	10.8
95.08599	100.0
96.08896	2.6
97.06522	8.2
97.10157	7.1
98.21499	3.6
99.04409	3.2
105.07018	49.5
106.07351	1.8
107.08584	64.8
108.08849	2.0
108.60509	2.0
109.06494	8.9
109.10148	62.1
110.10490	2.7
111.04420	3.7
111.08076	7.7
111.11739	2.4
115.05476	2.3
117.06998	7.4
119.08564	66.3
120.08888	2.1
121.06479	12.6
121.10131	59.0
123.04384	3.0
123.08060	7.9
123.11691	16.8
125.09647	5.5
128.06204	4.3
129.06982	7.8
130.07703	3.0
131.08539	25.1
133.10115	70.5
134.10501	2.0
135.08028	17.6
135.11688	36.1
135.31967	1.8
137.02344	2.5
137.05957	3.2
137.09616	2.9
137.13248	6.0
139.03844	2.8
141.06929	4.7
141.54187	1.8
142.07755	6.8
143.08536	20.1
144.09258	2.7
145.09023	3.8
145.10114	50.6
146.10443	3.1
147.08031	4.4
147.11671	34.3
149.09625	5.0
149.13245	30.5
151.11113	4.0
151.14845	2.1
152.14203	1.9
155.08534	7.0
156.09344	5.7
157.10100	27.7
159.08047	3.2
159.11678	65.6
160.12036	3.7
161.09627	11.9
161.13243	17.3
163.07556	2.3
163.11208	2.7
163.14804	23.4
165.09108	4.5
165.16417	2.0
169.10136	11.8
170.10921	2.2
171.11697	22.3
173.09666	3.4
173.13243	31.3
175.11209	14.2
175.14812	26.7
177.12793	6.7
177.16367	44.7
178.16681	2.7
181.10149	2.4
182.10886	2.5
183.11685	11.4
184.12444	2.8
185.09486	2.6
185.13199	20.4
187.11189	4.0
187.14822	33.6
188.15187	2.7
189.12732	7.6
189.16376	42.7
191.14314	7.3
191.17920	58.6
192.18193	3.4
195.11638	4.5
197.13275	9.9
199.11185	2.2
199.14812	21.0
201.12784	4.8
201.16365	13.4
203.14343	11.0
203.17924	32.0
205.12111	3.1
205.15924	9.6
205.19566	14.1
207.11775	2.5
207.13875	3.3
209.13292	4.4
209.15289	2.3
211.14835	9.8
213.16386	7.4
215.14319	7.3
215.17883	9.4
217.15891	19.9
217.19473	7.0
220.65849	2.3
221.13274	2.4
221.15300	2.6
223.14713	3.2
225.16383	6.5
227.17889	5.4
229.15939	9.0
229.19498	3.2
231.17291	3.3
233.15440	3.1
235.14758	3.1
235.16920	8.3
237.16252	2.7
239.17955	4.7
241.19485	4.7
243.17461	4.2
243.21123	2.2
247.16800	2.8
255.21074	4.1
257.19058	3.3
257.22726	2.6
267.21283	2.7
287.05426	12.6
299.05414	3.2
307.93268	2.2
309.25476	2.1
323.27267	31.3
324.27533	2.9
349.29080	5.3
361.25058	5.1
379.26050	5.1
389.24579	3.7
389.32193	9.6
395.33060	6.5
407.25443	5.0
407.33188	39.0
425.26764	23.0
425.34027	75.4
426.26624	5.4
426.34518	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	425.3405
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03936	1.9
55.05496	7.3
57.03410	1.8
57.07059	3.2
59.04964	0.9
65.03952	1.0
67.05489	13.6
69.03409	2.5
69.07055	12.6
71.04978	5.4
71.08624	1.1
71.61966	0.8
79.05468	12.5
81.07041	34.3
83.04973	2.1
83.08593	6.3
85.02876	1.0
85.06535	1.9
91.05453	13.0
93.07026	27.1
95.04967	2.7
95.08590	41.6
96.08905	1.6
97.06513	13.2
97.10165	4.5
99.04417	1.0
99.08052	4.7
103.05458	0.8
105.07008	27.9
107.08574	35.7
109.06512	1.9
109.10135	35.5
111.08062	8.0
111.11699	1.9
113.09615	1.7
115.05475	0.9
117.06986	5.2
119.08560	38.2
120.08878	1.3
121.06479	6.1
121.10121	24.3
123.08040	6.0
123.11681	14.6
125.09596	4.3
126.12821	0.7
127.11171	13.3
128.06253	1.1
129.06961	4.0
130.07744	1.4
131.08548	17.6
133.06412	1.0
133.09093	1.7
133.10098	27.7
133.11058	1.5
135.08034	3.7
135.11665	20.1
137.09604	1.9
137.13237	4.8
142.07748	2.9
143.08542	10.0
144.09288	1.6
145.10100	25.3
145.11276	1.2
145.86348	0.9
146.10608	0.7
147.08028	8.0
147.11661	21.2
147.12775	1.3
149.09596	6.2
149.13223	12.3
151.11180	1.3
151.14796	1.4
155.08525	3.6
156.09332	4.3
157.10106	13.9
157.11299	1.2
158.10814	1.1
159.11665	22.2
161.09599	9.9
161.13222	13.5
163.11172	9.2
163.14789	10.3
165.09122	0.9
165.12732	0.9
169.10036	4.4
171.11647	11.2
173.09612	2.9
173.13225	15.6
175.11156	11.7
175.14778	10.6
176.11874	1.2
177.12718	4.9
177.16417	3.0
179.14394	1.0
181.10175	1.5
183.11658	4.7
184.12500	0.9
185.13222	13.1
187.11186	2.6
187.14777	12.7
189.12704	17.3
189.16330	7.7
191.14291	6.4
191.17889	4.4
193.19516	0.9
195.11668	1.4
197.13248	4.4
199.14781	10.6
201.12668	4.0
201.16370	11.6
203.14285	11.0
203.17946	9.2
204.14813	0.9
205.15865	3.6
205.19492	1.8
207.17404	1.8
209.13245	1.5
210.74283	0.8
211.14851	2.9
213.16339	4.4
215.14348	3.5
215.17868	4.2
217.15858	8.2
217.19360	3.8
219.17479	2.8
219.21013	1.0
221.19026	1.3
223.14789	1.7
225.16370	2.4
227.14372	1.0
227.17953	3.4
229.15825	1.7
229.19498	2.0
231.17471	1.8
231.21201	1.3
233.18990	1.5
235.20526	1.0
237.16418	1.4
239.17905	3.0
241.15962	1.0
241.19475	1.2
243.17406	2.3
243.21188	0.9
253.19548	1.9
255.17264	1.1
255.21095	2.0
257.19031	1.9
257.22699	0.9
265.19470	1.3
267.20963	2.0
279.21075	2.0
281.22565	1.4
283.13681	0.9
283.20667	1.2
283.24225	1.0
285.22293	1.3
295.23877	0.8
297.22095	2.4
299.23624	2.5
301.21475	1.0
307.23981	1.3
313.25223	1.4
321.25668	1.5
325.25604	0.9
327.26852	3.3
339.26852	2.5
353.28516	1.3
365.28500	1.3
379.33862	1.0
384.28656	1.0
389.24673	0.9
389.32071	3.0
397.34677	2.2
407.33072	38.6
408.33453	3.2
425.34146	100.0
426.34366	7.3
436.94046	0.8
446.33990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3406
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03946	2.2
55.01883	0.7
55.05505	10.5
57.03415	1.3
57.07065	4.0
58.08506	0.8
59.04979	1.5
61.65576	0.8
65.03934	1.4
67.05161	1.4
67.05498	20.7
69.03405	1.9
69.07058	18.4
69.97277	2.0
69.97670	2.4
71.04996	5.8
71.08616	0.9
79.05482	14.6
81.07050	40.7
83.04988	2.7
83.08620	8.1
85.06542	1.1
87.41840	1.0
91.05461	13.5
92.91805	0.8
93.07027	31.9
93.07619	1.6
94.07399	1.3
95.04957	2.5
95.08594	46.8
96.08932	1.6
97.06521	12.6
97.10162	5.0
98.21478	1.3
99.08067	5.4
103.05479	1.0
105.07018	32.5
107.08576	41.0
107.39749	0.8
108.08847	0.9
109.06519	3.8
109.10143	40.6
110.10480	1.1
111.08063	8.0
111.11705	1.9
113.09665	1.8
117.07000	5.2
119.08564	44.7
120.08912	1.7
121.06475	6.4
121.10128	29.9
122.10497	0.9
123.08057	7.2
123.11684	17.4
125.09628	3.8
125.13298	1.1
127.11173	13.1
128.06180	2.0
129.06999	3.2
130.07822	0.9
131.08546	21.2
133.10114	34.0
135.08047	4.5
135.11674	23.6
136.12090	1.2
137.09612	3.1
137.13249	6.3
139.11137	1.0
141.07019	1.5
142.07779	3.1
143.08537	12.6
144.09352	1.5
145.10106	29.6
147.08029	8.7
147.11665	24.9
149.09584	7.3
149.13243	15.2
151.11166	2.4
151.14793	1.3
153.12704	1.3
155.08545	3.7
156.09352	2.7
157.10124	15.8
158.10876	0.8
159.08075	1.3
159.11665	25.7
160.12210	1.4
161.09616	13.0
161.13245	17.6
162.13618	0.9
162.64462	0.8
163.11189	9.9
163.14821	10.1
165.12839	1.6
165.16241	1.3
169.10109	4.9
170.10878	1.5
171.11674	17.7
172.12157	0.8
173.09659	3.1
173.13232	18.8
175.11177	14.0
175.14804	11.2
177.12767	3.7
177.16371	4.4
179.14340	1.4
181.10043	1.8
183.11691	5.4
185.09822	1.0
185.13234	14.1
186.13876	1.0
187.11206	3.5
187.14799	19.2
188.15260	1.5
189.12714	20.3
189.16380	9.8
191.14279	8.5
191.17926	5.4
195.11644	2.0
197.13261	4.1
199.11284	0.9
199.14777	11.5
201.12762	3.9
201.16339	14.0
203.14330	10.5
203.17946	9.2
205.15910	3.5
205.19591	0.9
207.17311	1.2
209.13306	1.6
211.14815	3.8
213.16316	5.9
215.14362	3.3
215.17928	5.1
217.15884	6.9
217.19495	2.7
219.17491	2.9
219.21175	1.0
221.19049	1.1
223.14861	1.8
225.16388	3.8
227.14276	0.9
227.17889	4.0
229.15878	3.3
229.19585	2.4
231.17433	2.3
233.19043	1.5
237.16348	1.4
239.17917	2.1
241.19536	2.4
243.17467	2.2
243.21095	1.0
245.22552	1.1
251.18018	1.9
253.19518	1.2
255.21179	2.8
267.21100	2.5
271.20670	1.5
281.22656	3.6
283.20700	1.0
285.22028	1.1
295.24426	1.0
297.22147	2.6
298.22830	1.0
299.23801	3.8
321.25806	1.3
325.25180	1.8
327.26871	1.9
335.27649	1.0
339.26874	3.0
347.27563	1.3
389.32040	3.9
397.34738	2.7
407.28519	0.8
407.33047	40.3
408.33432	2.9
425.34180	100.0
426.34595	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	425.3405
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03928	1.4
55.05497	15.2
57.03420	1.0
57.07052	4.3
65.03920	1.9
67.05495	30.8
68.05820	1.3
69.03385	1.6
69.07056	17.0
71.04977	1.5
71.08604	0.9
71.62724	1.3
71.91508	0.9
77.03962	0.8
79.05479	20.8
79.92582	1.0
81.07044	52.8
82.07372	1.8
83.04977	2.3
83.08599	9.2
85.06504	1.7
88.07590	0.9
91.05461	18.2
92.05758	1.2
93.07027	41.4
94.07365	1.5
95.04955	3.2
95.08591	100.0
96.08913	3.8
97.06524	2.6
97.10168	5.3
99.04436	1.7
99.08042	1.1
105.07011	47.3
106.07346	1.8
107.08576	67.4
108.08904	2.6
109.06495	4.0
109.10138	56.5
110.10498	2.7
111.08037	3.3
111.11722	2.4
115.05502	1.6
117.07016	7.5
119.08560	53.8
120.08925	3.1
120.63261	1.1
121.06477	2.4
121.10123	54.8
122.10457	1.2
123.08051	3.4
123.11687	15.8
125.09618	2.9
127.11211	1.6
129.06996	1.8
130.97293	1.0
131.08543	20.7
133.10107	38.8
134.10431	1.8
135.08047	2.6
135.11671	22.9
136.12056	1.9
137.09584	2.2
137.13245	5.3
139.07510	2.0
141.06998	1.3
142.07642	1.2
143.08527	7.5
144.09314	1.7
145.09013	2.1
145.10098	27.8
146.10573	1.6
147.08018	3.0
147.11665	30.6
148.12035	1.8
149.05891	1.3
149.09630	3.3
149.13228	25.8
150.13594	1.5
151.07555	1.3
151.11086	1.6
153.09081	2.0
155.08562	3.4
156.09282	2.2
157.10118	12.2
157.42918	1.0
158.10768	1.9
159.08086	1.2
159.11670	22.3
160.12051	2.0
161.09621	5.1
161.13234	30.3
162.13606	1.1
163.11176	3.5
163.14799	26.4
163.16083	2.0
165.09106	2.0
165.12785	1.1
165.16402	1.8
169.10100	3.3
171.11604	7.4
173.09610	1.8
173.13228	20.5
174.13594	1.2
175.11183	3.7
175.14807	31.1
176.15135	2.3
177.12709	2.5
177.16383	26.4
179.10574	1.4
181.10284	1.3
182.10883	1.7
183.11664	3.8
185.13223	8.9
187.11203	1.4
187.14786	25.0
188.15186	2.5
189.12741	3.9
189.16356	30.5
190.16599	2.0
191.10577	2.4
191.14259	12.2
191.17917	14.9
193.12212	2.4
195.11636	2.1
197.13190	3.4
199.14778	8.2
201.12730	1.8
201.16368	13.2
203.14326	10.7
203.17924	33.9
204.14648	1.1
204.18240	2.5
205.10088	1.1
205.15874	6.9
205.19548	4.3
209.13179	1.5
211.14850	2.5
213.16359	5.0
215.14331	2.8
215.17880	6.9
217.15836	3.5
217.19492	5.1
219.13771	14.9
219.17384	1.5
221.15303	14.7
223.14755	1.3
225.16295	1.6
227.17935	3.3
229.15877	2.1
229.19510	4.4
231.17453	2.7
231.21024	2.7
233.15401	2.9
233.18982	2.5
235.16965	4.1
237.16237	1.5
239.17932	2.9
241.19531	2.9
243.17459	2.3
243.21120	2.9
247.16971	4.2
249.18526	1.4
251.17953	1.5
253.19508	2.1
255.21144	3.0
257.18979	2.2
257.22556	1.8
261.18494	2.2
265.19568	1.3
267.21161	1.5
269.22647	1.6
275.20123	1.7
281.22528	1.5
283.20645	1.7
283.24173	2.4
287.05728	1.0
293.22629	2.0
297.22171	1.5
297.26068	1.0
299.23618	1.5
301.21524	1.3
309.11246	1.2
311.23532	6.1
315.23416	1.2
329.24652	8.8
355.26395	3.8
370.70685	1.2
379.33524	5.7
389.32095	4.2
407.33105	24.2
408.33334	2.8
425.27979	3.9
425.34103	89.3
426.28503	1.4
426.34518	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	425.3406
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
53.03944	2.2
55.05244	1.7
55.05499	16.1
57.03418	1.8
57.07064	7.2
63.75593	1.0
64.33490	1.0
65.03935	2.2
67.05495	30.8
67.05856	1.7
68.05815	1.1
69.03408	2.0
69.07056	20.2
69.86779	4.1
69.87189	3.5
71.04964	1.7
71.10576	1.2
72.23192	1.1
76.12985	1.3
79.05477	20.2
79.05899	2.1
81.07045	75.6
82.07362	1.5
83.04971	1.4
83.08609	13.3
85.02886	8.6
85.06491	1.2
86.03240	1.5
86.09695	1.2
91.05463	18.6
93.07031	49.4
94.07378	1.9
95.04963	3.1
95.08591	75.3
96.08936	2.3
97.06508	2.4
97.10155	4.8
103.05403	1.5
105.06287	1.3
105.07013	43.9
107.08580	62.1
108.08879	1.6
108.40372	1.1
109.06509	2.5
109.10141	61.4
110.10475	2.5
111.08057	2.5
111.11681	1.8
117.06988	4.0
119.08566	57.8
120.08781	1.6
121.06464	1.4
121.10126	57.6
121.11009	2.7
122.10477	2.3
122.68389	1.2
123.08054	2.0
123.11685	39.4
124.12061	1.7
125.09597	2.3
129.07016	2.5
131.08542	10.8
131.19055	1.1
131.92023	1.1
133.10109	48.2
134.10402	1.8
135.08055	2.0
135.11670	66.6
136.12047	1.6
137.05896	1.1
137.13210	6.5
143.08528	5.6
145.10097	18.0
147.08014	2.3
147.11655	38.9
147.12769	2.4
149.09625	1.4
149.13245	16.7
151.11148	3.2
151.14836	2.1
153.09067	3.7
157.08965	1.5
157.10062	8.2
158.10767	1.1
159.11655	17.0
161.09618	1.4
161.13232	21.7
162.13631	1.2
163.11134	1.9
163.14819	22.5
165.09180	1.3
165.16377	5.8
167.10617	1.4
169.10030	2.0
171.11748	6.3
173.13254	16.0
175.11137	4.1
175.14796	28.8
175.16270	2.2
176.15196	1.1
177.16364	53.0
178.16710	2.2
183.11685	2.3
185.13223	7.8
187.14795	15.9
189.16357	85.3
190.16675	3.9
191.14371	1.3
191.17911	23.3
192.18333	1.2
193.12175	2.2
197.13246	2.4
199.14793	5.3
201.16367	14.7
203.14333	5.2
203.17931	48.2
205.15837	2.1
205.19551	5.5
207.13814	1.2
207.17415	3.3
209.13080	1.4
211.14851	1.6
213.16330	7.6
215.14366	1.1
215.17935	29.5
217.16011	2.3
217.19557	7.9
221.15425	3.0
221.19022	2.0
223.16920	1.9
227.17979	3.8
229.15895	1.7
229.19528	3.6
231.13893	1.3
231.17505	2.5
231.21091	3.6
235.16980	5.0
241.19496	7.7
243.21049	17.2
247.16852	5.8
249.18489	10.5
253.19408	2.0
255.21048	5.1
257.22678	4.9
261.18500	28.7
261.21286	2.2
267.21243	1.5
269.22684	5.0
275.20065	2.1
283.24316	5.8
287.20114	3.2
289.21576	13.1
295.24210	1.8
297.22162	1.4
301.21783	6.6
301.24942	2.4
315.23242	4.7
337.28867	2.6
355.26285	1.9
379.33578	21.7
381.27811	1.8
407.33023	7.3
425.34161	100.0
426.34485	6.7
447.04468	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.05502	16.7
57.07053	9.1
60.08147	1.9
67.05489	38.3
69.03408	3.5
69.06669	1.4
69.07054	29.5
71.08614	3.5
71.69070	1.2
74.00856	1.3
77.03932	2.0
79.05470	19.8
81.07040	73.1
82.07349	2.1
83.04971	2.3
83.08602	15.1
85.02883	14.0
85.06531	2.6
86.09708	1.1
91.05457	15.8
91.46929	1.1
93.07027	48.0
93.07617	2.5
95.04950	2.8
95.08588	95.6
96.08910	1.4
97.06477	6.9
97.10154	10.2
99.08049	5.8
105.07011	34.5
107.08572	70.4
108.08905	1.9
109.06511	2.3
109.10130	100.0
110.10458	2.2
111.08069	6.0
111.11694	4.2
113.09631	1.7
117.07014	4.4
119.08549	50.7
121.06456	2.0
121.10116	57.6
122.10421	1.6
123.08073	4.9
123.11676	29.6
124.99975	1.4
125.09627	4.4
127.11147	1.9
128.06203	1.6
129.06993	1.9
131.08517	13.3
133.10097	37.7
133.11072	2.4
135.08040	4.1
135.11661	44.3
135.12694	2.2
136.12048	1.3
137.09601	2.0
137.13232	15.7
142.07722	1.4
143.08516	7.5
145.10089	19.1
145.11128	1.8
147.11659	35.7
147.12781	2.4
149.13226	31.4
151.11198	3.5
151.14818	3.0
157.10110	9.1
159.11655	20.9
161.13231	29.0
163.11105	2.7
163.14803	23.5
165.12694	2.4
165.16310	1.6
169.10110	3.7
171.11639	7.2
173.13219	14.2
175.11133	1.9
175.14793	15.8
177.16357	12.9
179.14290	6.6
179.17949	1.7
183.11694	3.8
184.07330	4.2
185.13260	8.2
187.14792	14.2
189.12877	1.6
189.16336	22.7
191.14273	2.3
191.17900	37.1
193.15825	2.2
195.11711	2.0
197.13235	4.9
199.14714	6.1
201.12663	2.0
201.16341	13.6
203.14302	4.8
203.17923	21.1
205.15820	3.3
205.19490	12.3
207.13782	1.3
207.17377	7.8
211.14792	2.9
213.16362	4.8
215.14529	1.3
215.17947	11.7
217.15874	5.3
217.19460	26.6
219.17458	2.6
219.21059	5.1
221.13249	1.4
221.18993	2.6
225.16373	2.2
227.17941	2.8
229.19499	3.8
231.17378	2.7
231.21063	2.7
233.18974	3.0
235.20549	3.1
237.16403	2.7
239.17767	1.5
241.19536	4.6
243.17360	1.5
243.20999	3.0
245.18846	2.6
245.22546	2.7
251.17749	2.0
255.17410	12.2
255.21088	3.0
257.18936	2.6
257.22598	3.4
259.24197	1.9
267.20999	2.5
269.22577	1.6
271.20758	1.5
271.24295	2.0
281.18961	3.4
283.20602	2.0
295.20459	10.8
297.22229	2.8
297.25909	1.4
299.27252	2.0
301.21677	1.3
306.18585	1.3
309.22250	2.0
311.23819	1.8
323.23660	3.0
325.25299	2.4
337.25165	1.5
351.27130	1.4
379.33627	2.1
387.83493	1.6
389.31976	2.3
407.32339	16.7
407.36850	9.0
425.33798	33.2
425.37848	34.9
425.46097	1.5
426.35117	11.9
448.42972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60202	1.3
53.03932	2.1
55.05503	15.6
57.07064	6.6
58.70202	1.1
59.04979	1.9
67.05164	1.8
67.05499	30.2
69.03425	2.1
69.06718	1.9
69.07061	27.1
70.82244	2.8
70.82581	1.4
71.08608	2.9
79.05481	21.4
81.07047	69.1
83.08617	13.5
85.06500	2.9
85.10142	1.9
86.09672	2.2
91.05467	19.4
93.07033	49.3
95.04935	3.9
95.08594	100.0
96.08931	1.7
97.06512	4.9
97.10146	8.0
99.08100	3.4
103.05428	1.2
105.07018	55.3
107.08580	75.8
109.06496	6.4
109.10141	78.2
111.08068	6.4
111.11739	3.4
111.84666	1.3
117.06992	6.6
119.08567	66.8
121.06493	3.0
121.10132	52.5
121.50073	1.1
123.08040	8.3
123.11692	28.1
124.16345	1.2
125.09621	7.2
127.11185	2.2
128.06233	1.4
129.06981	4.5
130.07748	1.4
131.08543	18.4
133.06438	2.5
133.10112	50.1
135.08086	5.6
135.11674	44.9
137.09599	3.6
137.13237	13.5
139.11147	2.1
141.07051	1.2
142.07739	2.4
143.00673	1.6
143.08556	11.5
144.09297	1.6
145.10107	35.3
147.08003	5.8
147.11665	47.7
149.09586	3.3
149.13231	31.7
151.11166	2.3
151.14709	2.3
153.09061	3.2
155.08543	4.0
156.09305	4.4
157.10121	12.2
158.10809	2.2
159.08047	1.5
159.11679	24.3
161.09616	3.4
161.13234	30.2
162.13896	1.1
163.11172	5.4
163.14792	23.3
165.12704	3.6
165.16411	2.3
169.10115	3.5
171.11661	18.9
172.12209	1.5
173.09633	2.6
173.13246	25.9
175.11177	3.8
175.14799	25.1
177.12727	6.0
177.16353	18.2
179.14279	6.1
181.10193	1.3
183.11678	6.3
184.07301	5.2
185.13243	13.0
187.14810	17.6
189.12741	9.0
189.16365	39.3
191.14310	11.8
191.17932	31.0
193.15845	1.7
195.11690	2.5
197.13213	3.2
199.14735	6.9
201.12689	2.7
201.16362	19.2
203.14317	22.1
203.17920	26.8
205.15846	12.9
205.19490	7.9
207.17369	9.0
209.13271	2.1
211.14870	4.6
213.16389	7.0
215.14337	1.6
215.17931	12.7
217.16031	6.0
217.19487	22.1
219.17435	3.8
219.21065	3.0
221.18887	2.4
223.14734	1.8
225.16367	3.4
227.17944	4.9
229.15938	2.6
229.19482	5.3
231.17406	1.9
231.21008	2.1
233.18983	3.0
235.16888	2.9
235.20508	2.5
237.16412	1.6
239.17926	4.4
241.19527	4.1
243.21066	4.2
245.19000	1.6
245.22701	2.2
247.20639	1.3
253.19603	5.7
255.21080	3.8
257.18903	1.5
257.22458	2.8
265.19510	3.6
267.21048	3.3
269.19012	1.5
269.22696	2.8
271.20581	3.9
271.24210	2.4
273.22153	1.2
277.19626	1.3
281.22830	1.9
283.20517	4.7
283.23950	1.6
299.27545	1.4
309.22211	1.8
333.25613	1.4
337.29022	2.3
351.30478	1.8
361.28940	4.9
379.25519	2.1
379.29865	25.2
380.30460	1.5
381.27487	1.5
389.32220	2.3
407.29123	8.9
407.33057	11.5
407.37015	6.9
408.29260	1.8
425.30685	12.0
425.34085	80.3
425.38211	13.8
426.34656	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	425.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.6
57.03423	1.0
61.02914	1.2
62.44232	0.5
69.03431	3.8
69.70448	0.5
70.54514	1.0
70.54909	1.3
71.04957	0.6
73.02889	0.8
81.03399	1.7
81.04531	0.6
82.99844	1.1
85.02892	7.7
86.99267	0.5
97.02897	3.1
98.97543	0.5
99.04433	0.8
101.00870	10.5
109.02863	1.9
113.00878	1.0
115.02412	0.6
119.01915	26.8
120.02002	1.0
121.02854	1.9
127.02393	1.6
127.03913	3.3
129.02141	0.9
131.01901	9.8
133.03445	1.4
137.02982	3.1
137.05949	2.9
139.02385	1.5
139.03879	0.6
140.03374	0.7
143.01889	27.3
144.02789	0.6
144.10191	1.0
145.03450	12.3
145.04933	2.2
146.03539	0.8
147.01363	1.2
147.05038	0.7
149.02934	1.0
153.03192	7.5
153.53304	2.4
154.03253	0.8
155.01886	13.2
157.03467	10.1
159.03218	1.4
161.02950	53.9
162.03143	1.8
162.03632	2.0
162.53755	0.8
163.04628	1.2
165.85486	0.6
167.01877	7.6
167.06892	0.7
169.03450	3.3
170.17201	0.5
171.04994	2.5
172.01019	0.6
173.02954	21.6
174.03658	2.2
174.53722	0.7
175.04576	3.8
179.01888	3.1
179.04002	1.2
181.01543	1.8
181.03473	0.7
181.51518	0.7
184.04506	2.0
184.05901	0.8
184.56064	0.6
185.02951	36.1
186.03073	1.6
187.04535	4.2
189.05984	0.8
191.04044	4.4
194.06233	0.6
196.04535	0.9
197.02940	15.7
197.04759	1.1
199.04491	1.4
201.06001	0.7
203.03995	14.6
204.04790	6.9
204.54875	1.2
205.05545	2.3
208.04460	1.4
209.02953	1.6
215.03976	8.4
217.05574	0.8
221.05063	2.3
223.06612	3.7
224.06789	0.7
225.06314	1.2
227.03990	8.2
228.04260	0.6
233.05028	1.6
239.03963	1.3
243.03160	0.7
244.03130	0.6
245.05055	100.0
246.05249	4.8
257.05057	5.7
263.06104	24.4
264.06363	2.0
265.07593	3.1
267.07593	0.7
275.06097	14.6
276.06396	0.9
286.07755	1.0
287.06073	0.7
291.09177	1.0
293.07190	3.5
305.07129	11.8
306.07196	0.9
307.08722	1.0
309.10236	0.7
317.07166	1.3
335.08133	3.7
336.08646	0.8
343.01471	0.9
365.09265	8.7
367.10754	0.8
387.13550	2.8
388.13562	0.7
389.13513	1.4
425.06317	10.1
425.11426	5.4
426.06921	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0859
Annotation	Hypnum acid
Peak:m/z	Relative Intensity
50.20097	0.1
55.01855	0.8
55.05511	0.2
57.03449	0.1
65.03957	0.3
67.05508	0.3
68.99781	1.7
69.00119	0.2
69.03423	0.3
69.07067	0.3
69.68743	0.9
70.06591	0.1
71.01359	0.2
71.04997	0.3
79.05514	0.2
79.28066	0.1
81.03435	0.5
81.07046	0.6
81.29439	0.1
85.02923	0.4
85.06552	0.2
91.05490	0.3
93.07065	0.3
95.04978	0.3
95.08610	0.5
97.02878	0.2
97.06500	0.1
99.04469	0.1
103.05447	0.2
105.03339	0.2
105.07028	0.2
107.04944	0.2
107.08573	0.3
109.02879	0.5
109.10147	0.2
111.00806	0.3
111.04452	0.2
115.05471	0.4
117.07041	0.2
119.04940	0.2
119.08613	0.4
121.02834	1.4
121.06490	0.2
121.10114	0.2
123.04402	1.8
123.11669	0.3
127.03887	2.3
129.07011	0.3
131.04887	0.2
131.08505	0.2
133.02869	0.1
133.06516	0.1
133.10062	0.2
135.11676	0.2
137.02321	12.8
138.02681	0.3
139.02782	0.3
139.03873	6.2
140.07108	0.1
141.01772	0.1
141.06995	0.5
143.04910	0.4
145.06473	0.3
145.10110	0.2
147.04362	1.1
147.11690	0.2
149.02327	1.5
149.05904	0.2
151.03931	0.4
153.01833	0.7
155.04930	0.4
157.06456	0.8
158.10574	0.2
159.04398	0.2
161.02278	0.1
161.05959	1.6
163.03903	0.7
163.11238	0.2
165.01790	0.3
167.03387	0.3
167.05005	0.2
169.06502	0.5
169.08623	0.2
171.04405	0.6
173.05965	0.7
173.13376	0.1
174.13603	0.1
175.03885	1.0
175.07549	0.2
177.01813	0.8
177.05464	0.4
181.06456	0.2
183.04424	0.4
185.06004	1.1
187.03860	0.2
187.07555	0.2
189.05429	1.5
191.03404	0.3
197.05940	0.8
199.03838	1.1
200.04538	0.2
201.05446	1.2
203.03375	1.8
203.06898	0.2
209.18918	0.2
210.15688	0.1
211.03889	0.4
213.05417	1.9
215.06987	0.6
217.04900	0.6
218.05734	0.3
219.06468	0.1
225.05493	0.6
227.03348	1.0
227.07030	0.2
227.12642	0.2
227.20079	0.1
228.13060	0.5
228.16765	0.3
229.04874	0.9
231.06461	1.3
233.04358	0.1
237.05455	0.2
239.03343	0.4
241.04903	0.8
242.05560	0.1
243.06439	0.9
245.04361	1.3
246.04922	0.1
247.06003	1.9
253.04915	0.8
253.07253	0.1
257.04376	1.2
258.05157	0.2
259.06006	2.0
269.04468	0.9
271.03024	0.2
271.05972	2.7
273.07565	0.3
275.05643	0.2
281.04462	0.9
285.24826	0.1
286.04544	0.1
287.05444	100.0
288.05783	4.5
288.08478	0.1
299.05444	18.7
300.05750	1.0
303.04996	0.3
310.26349	0.1
323.05502	0.2
333.07443	0.2
361.06812	0.1
389.06296	0.5
407.07541	2.5
408.07581	0.2
425.03043	0.2
425.08527	3.6
425.17361	0.5
426.08649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39551	0.1
53.03929	0.1
55.01865	0.8
55.05492	0.2
57.17366	0.1
62.09785	0.1
65.03905	0.2
67.05495	0.1
68.99438	0.1
68.99778	1.7
69.03400	0.2
69.31585	1.3
70.07174	0.1
70.29979	0.1
71.01321	0.2
79.05453	0.2
81.03388	0.5
81.07030	0.2
83.01322	0.2
83.57689	0.1
85.02873	0.2
91.05459	0.3
91.77292	0.1
93.03369	0.2
93.07050	0.3
95.04932	0.1
95.08576	0.3
97.02872	0.2
98.01527	0.1
99.04419	0.2
101.88481	0.1
103.05440	0.2
105.03354	0.2
105.06985	0.2
107.01346	0.2
107.04959	0.1
107.08551	0.3
109.02861	0.6
109.10068	0.1
109.53310	0.1
111.00761	0.2
111.04414	0.4
115.05436	0.4
117.06995	0.2
119.04952	0.2
119.08523	0.2
121.02855	1.0
121.10135	0.2
123.04408	2.1
123.11651	0.1
124.12036	0.1
125.02367	0.2
125.09549	0.2
127.02973	0.1
127.03893	2.5
128.06184	0.1
129.06941	0.3
131.04875	0.3
131.08499	0.1
133.06406	0.2
133.10052	0.1
135.11723	0.1
137.02324	13.1
137.03369	0.9
138.02620	0.3
139.03877	6.1
139.05434	0.2
140.04291	0.1
141.01738	0.1
141.06970	0.6
143.04854	0.5
145.06427	0.4
146.21375	0.1
147.04390	0.6
149.02324	1.7
149.06027	0.2
151.03870	0.4
153.01813	0.6
153.06995	0.2
155.04890	0.4
156.85396	0.1
157.06490	0.6
159.04286	0.1
161.05939	1.3
163.03885	0.8
164.11429	0.2
165.01825	0.3
167.03377	0.4
167.04826	0.2
169.06485	0.7
170.08861	0.2
171.04390	0.8
173.05956	0.9
175.03883	1.2
175.07536	0.4
177.01837	0.6
177.05403	0.4
177.29692	0.1
183.02861	0.1
183.04382	0.4
185.05939	1.0
187.03792	0.2
187.07544	0.2
189.05440	1.3
191.03336	0.4
192.10873	0.1
197.05963	1.2
199.03874	1.2
200.04684	0.2
201.05431	1.2
203.03352	2.3
203.07060	0.6
203.10669	0.1
209.06085	0.2
210.12192	0.1
210.15678	0.2
211.03836	0.3
213.05428	2.1
214.05948	0.2
215.06970	0.5
217.04817	0.6
218.05771	0.3
219.06310	0.1
225.05437	0.7
227.03336	0.9
227.06927	0.2
227.12828	0.2
227.16313	0.2
227.20074	0.2
228.13091	0.3
228.16702	0.2
229.04916	1.0
229.07059	0.2
231.06459	1.3
233.04422	0.3
239.03264	0.4
241.04884	0.7
242.05565	0.2
243.06451	1.0
245.04391	1.4
247.05989	1.8
253.04936	0.8
255.06454	0.2
257.04449	1.4
259.05984	1.9
269.04385	1.1
270.05017	0.2
271.05942	2.9
273.07559	0.3
275.05438	0.1
281.04407	0.9
287.05453	100.0
288.05795	3.9
288.09082	0.1
297.07715	0.1
299.05457	19.1
300.05820	0.9
303.04977	0.4
323.05408	0.2
333.07391	0.1
354.15979	0.1
365.06607	0.2
389.06610	0.5
407.07544	2.8
408.07971	0.2
425.08591	3.7
425.17593	0.3
426.08868	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55288	1.0
67.29691	0.9
69.03419	2.4
69.40566	5.7
69.40997	5.4
82.99824	1.3
85.02897	5.7
101.00869	8.2
109.02832	1.3
119.01904	16.1
127.03932	1.5
131.01884	5.6
137.02950	1.6
143.01868	17.2
145.03465	8.7
147.05051	1.4
149.02943	1.4
149.05350	1.4
153.03149	1.8
155.01880	9.2
157.03392	5.6
161.02937	33.8
167.01846	3.0
167.07124	1.2
169.03433	2.4
171.04945	2.0
173.02939	13.2
179.01830	2.1
185.02934	25.9
187.04503	2.5
189.06027	1.3
191.03998	2.8
197.02950	11.4
201.06082	1.7
203.03984	13.4
209.02888	1.7
215.04028	4.9
221.05067	1.9
227.03957	4.0
233.04987	1.2
245.05049	71.1
246.05211	3.2
257.05029	2.9
263.06091	18.6
275.06100	8.6
291.09210	3.8
293.07108	3.7
305.07181	7.1
309.10309	1.7
317.07129	1.7
335.08151	3.7
365.09186	7.8
391.69650	1.0
425.06296	100.0
426.06732	5.7
441.21609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02121	2.1
52.42430	1.9
69.03410	5.1
71.24892	1.8
71.61296	3.5
81.03436	2.8
85.02905	11.4
86.03207	2.3
97.02852	4.3
101.00838	7.1
113.00841	2.2
119.01904	19.5
120.02002	2.2
127.03870	4.1
131.01845	6.7
143.01892	18.7
143.83949	2.4
145.03372	9.4
145.04941	4.7
153.03113	5.7
155.01802	6.5
157.03378	6.3
161.02948	31.2
167.01822	5.9
173.02942	14.2
175.04446	3.4
185.02953	24.7
187.04463	3.1
191.03830	2.5
197.03012	10.6
203.03874	8.6
204.04771	4.9
215.03954	4.3
223.04425	1.9
223.06490	3.6
227.03860	6.0
245.05087	72.3
246.05290	3.1
257.04874	4.9
263.06094	19.4
265.07755	4.4
275.06113	11.5
283.14737	2.4
293.07166	3.5
305.06903	6.3
335.08133	5.0
365.09024	8.5
377.14728	2.3
425.06766	100.0
425.16473	4.0
426.07275	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	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05501	4.4
57.03419	1.4
57.07079	2.6
67.05510	4.4
69.03416	2.2
69.07061	18.5
70.91411	1.8
70.91762	0.7
71.04984	2.4
71.08633	4.5
73.02924	3.1
79.05477	1.5
81.03410	1.3
81.07044	19.3
83.04980	3.6
83.08604	4.9
85.02416	1.2
85.02899	20.8
85.06525	5.0
85.10177	1.9
87.04446	0.7
91.05467	3.2
93.07040	4.5
95.08597	7.7
97.02877	1.7
97.06525	2.7
97.10176	1.0
99.04436	5.2
99.08082	1.0
101.02370	8.5
101.18865	0.7
105.07016	6.7
107.08586	6.8
109.06478	4.6
109.10149	1.5
111.08055	1.9
113.05971	2.0
115.07580	1.3
119.08559	5.9
119.61626	0.8
121.02848	0.9
121.06503	2.2
121.10120	9.8
123.08076	4.5
123.11684	26.9
125.05896	0.7
125.09612	0.8
127.03914	1.2
127.07520	8.3
133.10152	0.9
137.02267	0.8
137.09578	1.0
137.13231	2.3
139.03868	0.8
141.09085	2.6
145.10123	1.7
147.04425	1.1
147.11665	33.9
149.13214	1.4
155.14305	7.1
161.05998	0.8
165.12730	19.6
183.13788	88.0
184.07329	1.2
184.14091	1.5
187.14742	0.7
201.14833	100.0
202.15225	1.9
230.32635	0.7
287.05490	2.9
299.05353	1.3
424.24725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	12.1
67.05485	3.4
67.10927	1.4
69.03402	3.8
69.07043	3.6
69.56290	10.7
71.04979	2.0
79.05460	2.3
81.07027	4.3
82.23328	1.3
82.75797	1.5
83.04966	8.6
83.08611	12.3
85.02883	6.6
91.05474	2.0
93.07043	7.7
95.04941	9.3
95.08572	5.0
97.06503	5.0
98.20689	1.7
99.04427	2.6
105.06992	4.4
107.08591	12.1
109.06502	10.7
109.10140	11.6
111.08032	4.0
115.07547	4.2
115.25700	1.4
117.85725	1.3
119.08588	4.0
121.06410	1.6
121.10123	18.7
123.11658	3.7
125.09574	2.7
131.08546	1.7
133.10103	17.9
135.08005	2.3
135.11682	4.8
139.11201	1.9
145.10190	2.8
147.11649	4.8
149.13202	5.4
151.11162	16.2
153.09087	6.5
162.96758	1.4
163.14757	6.8
165.12663	2.7
167.14307	15.8
173.13255	13.8
191.14284	20.8
209.15329	100.0
227.16341	12.4
269.52890	1.4
273.45685	1.5
286.08679	1.3
353.19492	2.3
425.17560	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	424.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.05505	12.8
56.91876	1.4
57.03424	2.2
61.02908	1.8
67.05486	4.2
69.03405	4.8
69.07052	2.9
69.79504	9.5
71.04962	2.9
78.25496	1.8
79.05479	1.8
81.03384	2.1
81.07054	7.6
82.22887	1.4
83.04968	9.5
83.08614	9.6
83.09028	1.7
85.02904	9.1
85.06496	1.9
88.68046	1.4
91.05449	3.3
93.07027	7.1
95.04956	14.2
95.08588	4.0
97.02917	2.1
97.06497	6.3
98.20799	2.0
99.04433	3.7
105.07036	7.2
107.08592	14.0
109.02898	1.8
109.06494	10.9
109.10155	14.5
111.08073	4.2
119.08586	3.5
121.02849	1.6
121.10129	18.1
123.08006	1.8
123.11667	4.9
125.09609	4.1
127.03883	3.5
131.08568	4.1
133.10118	24.8
135.08020	3.9
135.11642	4.7
139.03856	2.3
139.11159	3.8
145.10078	3.8
147.11664	5.6
148.87631	1.5
149.09618	1.8
149.13240	6.8
151.11139	14.9
153.09076	7.6
158.10849	2.1
163.14783	5.7
167.14305	16.6
173.13268	17.0
191.14293	25.6
209.15344	100.0
210.15697	1.9
227.16357	13.2
262.10626	1.9
299.05649	3.5
346.98508	1.6
425.08542	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	424.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26888	1.0
55.05503	12.5
57.07085	1.4
64.11045	1.0
67.05485	2.5
69.03410	2.5
69.07056	3.4
70.67399	0.9
70.88942	2.1
71.04969	2.1
78.32375	1.1
79.05479	1.7
81.03432	1.4
81.04510	1.3
81.07036	5.8
83.04970	11.0
83.08605	11.5
85.02889	4.8
85.06518	1.4
91.05441	2.5
92.86213	0.9
93.07021	5.5
95.04953	10.9
95.06068	2.9
95.08580	5.7
97.02892	2.0
97.06539	5.2
97.10164	2.1
99.04450	3.4
105.03362	6.4
105.07022	4.4
107.08556	9.7
109.02867	1.8
109.06514	8.5
109.10135	9.0
111.05534	9.2
111.08086	3.0
115.07506	1.3
119.08545	3.0
121.10118	14.4
123.05518	6.3
123.08080	1.3
123.11670	2.5
125.09618	3.2
131.08551	2.7
133.10129	14.3
135.11690	2.6
139.11160	9.1
141.06560	18.2
145.04971	1.3
145.10168	1.9
147.04405	1.1
147.11668	3.6
149.09630	1.3
149.13257	4.3
151.11163	15.1
153.09126	5.3
157.12196	4.2
158.10980	1.0
159.07610	6.4
163.14816	2.7
163.22055	1.0
167.14278	16.8
173.13245	6.8
191.14240	12.0
209.15335	100.0
210.15651	4.4
216.95476	1.1
227.12804	1.8
227.16399	7.5
263.11560	1.2
287.65723	1.1
371.20633	1.2
425.15634	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
54.15648	0.6
55.01876	1.0
57.03419	1.2
59.50548	0.5
61.02898	2.0
69.03426	4.1
69.96278	3.2
70.06570	1.0
71.04984	0.7
73.02907	0.9
78.04696	0.7
78.28481	0.7
79.05482	1.2
81.03405	1.5
84.08132	0.6
85.02889	10.9
87.04411	0.7
89.03871	0.7
91.03922	0.7
91.05451	3.3
93.07021	2.0
95.04965	1.3
97.02887	3.4
100.38150	0.6
103.05447	4.2
105.07010	1.1
107.04947	3.0
107.08530	0.7
109.02869	1.8
119.01901	0.7
119.04917	1.1
121.02844	1.1
121.06480	10.1
122.03688	0.7
123.04408	2.3
124.05201	1.4
127.03909	1.2
131.04910	5.3
133.02809	1.7
134.03641	0.8
135.04417	1.1
137.05966	7.9
137.31320	0.6
140.04671	1.3
145.04932	1.9
147.04391	2.6
148.05162	1.4
149.05957	13.6
152.04672	0.7
155.06985	2.1
159.04379	3.2
161.02931	0.9
163.03885	2.0
165.05449	1.4
167.07018	100.0
168.07367	2.3
176.04720	1.1
177.05452	33.9
178.25476	0.6
181.08536	1.5
191.06982	1.9
193.08583	2.5
194.05724	1.2
197.08046	3.2
209.08061	27.7
209.15273	1.7
211.09647	3.9
227.09108	72.3
228.09506	1.7
245.04866	1.1
407.07590	0.8
425.08975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
56.71622	0.8
60.76181	0.8
61.02910	2.0
67.05505	1.0
67.06465	0.8
67.63477	0.8
69.03416	5.2
69.96021	3.3
70.06580	1.2
73.02901	1.9
78.04718	1.3
79.05482	1.7
81.03403	3.2
81.07048	1.1
85.02886	16.3
89.03893	1.4
91.03961	1.4
91.05460	4.5
93.07035	2.8
93.16336	0.8
95.04946	2.5
97.02891	5.2
98.97562	0.8
103.05450	6.7
106.04147	0.9
106.05666	1.0
107.04946	5.0
109.02858	1.9
109.06502	1.2
112.07552	2.1
117.03342	1.6
119.01886	2.1
119.04903	1.5
121.02819	1.6
121.06474	13.8
123.04425	3.0
124.05183	1.4
127.03902	2.9
130.08583	1.4
131.04869	6.6
133.02824	5.5
133.06479	1.0
135.04405	1.5
137.05954	8.7
143.01895	1.6
145.04974	3.0
147.04390	1.4
148.05203	1.5
149.05954	19.2
152.04567	1.2
155.07047	2.2
159.04346	4.8
161.02907	1.6
163.03908	3.1
165.05432	3.8
167.07011	100.0
168.07352	2.2
177.05446	45.7
178.05879	1.9
179.06908	0.9
181.08551	1.6
181.85674	1.0
191.07053	3.0
193.08546	1.4
194.05737	1.2
195.06537	0.9
197.02982	0.9
197.08040	12.9
203.04012	1.5
209.08054	43.2
209.15361	2.1
210.08466	1.1
211.09637	2.9
211.69507	0.9
223.06714	0.9
227.09103	84.7
228.09436	3.0
245.05087	2.0
294.10809	0.9
319.12253	1.4
396.72800	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01865	0.6
55.05505	1.1
56.05135	0.3
57.03415	0.6
58.19590	0.4
61.02914	0.6
65.03938	0.4
66.20324	0.4
67.05492	1.6
69.03420	2.1
69.07060	1.0
69.79557	2.4
70.06599	0.5
71.04985	1.0
78.04713	0.8
79.05481	3.5
80.04993	0.4
81.03426	1.7
81.05801	1.1
81.07036	3.0
83.04947	0.9
83.08569	0.5
85.02891	2.4
85.06537	0.8
87.04454	0.4
88.09714	0.4
91.05476	1.6
93.07039	1.1
94.06567	0.5
95.04963	2.9
95.08582	1.5
96.04478	0.9
96.08115	7.1
97.02866	1.7
97.06537	0.5
98.06042	3.0
99.04433	1.4
99.08065	1.1
101.40674	0.3
103.05440	0.5
105.03378	6.7
105.07008	1.6
106.06556	1.0
106.07381	0.6
107.04948	1.3
107.08580	1.8
109.02871	1.1
109.06495	0.7
109.10133	1.0
110.06023	0.5
111.08054	0.6
112.07581	0.7
113.09616	0.5
116.07065	0.5
119.04913	2.0
119.08555	1.0
121.02847	8.8
121.10110	0.8
122.06021	0.5
123.04461	2.1
123.08066	1.1
123.11686	0.5
124.07573	68.9
125.07903	1.0
125.09618	1.2
127.03888	1.3
127.07500	0.4
129.06912	0.4
131.04900	1.1
132.05278	0.5
133.06464	0.5
133.10155	1.1
134.06883	0.5
135.08047	0.6
135.65308	0.3
137.02315	1.7
137.05972	0.8
137.07089	0.4
137.09593	0.6
139.03868	1.9
139.11156	0.5
140.07039	4.2
141.09105	0.4
141.31731	0.4
142.08612	100.0
143.08943	1.6
145.04951	0.7
145.06499	0.5
145.10211	0.4
147.04387	8.2
147.11644	0.8
151.03760	0.4
151.07497	0.7
153.09132	0.4
158.08110	7.6
161.05939	0.7
162.06374	0.9
163.07564	1.9
164.07866	1.4
165.09145	0.7
165.12701	0.4
167.07011	13.0
168.07358	8.7
172.05309	0.4
177.00620	0.4
181.08557	0.6
181.12135	0.4
181.72815	0.3
183.10287	0.4
183.13753	0.6
189.05309	0.4
191.14276	0.9
193.08563	2.1
194.08900	1.8
209.11656	0.4
209.15297	3.5
211.16872	0.5
220.10429	0.6
227.12729	1.2
227.16389	3.5
244.09792	0.5
245.13817	0.5
245.17386	0.8
249.07463	0.9
262.10696	0.6
265.07092	0.8
283.08029	0.5
287.05450	12.2
299.05499	2.3
324.69638	0.5
329.73383	0.4
356.15616	1.0
388.17981	0.5
425.15353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.3
57.03431	2.3
61.02905	2.0
68.63078	1.0
69.03426	4.1
70.06580	15.1
71.16904	2.4
71.17266	1.7
73.02916	2.7
79.05482	3.0
81.03402	2.2
81.07038	1.9
81.88340	1.1
85.02883	16.8
88.03927	1.0
89.03938	1.5
91.05476	11.0
93.07034	4.1
95.04967	3.9
97.02872	6.0
99.04449	1.2
103.05470	11.5
105.03400	3.4
105.07028	1.5
107.04919	6.3
107.08578	1.5
109.02863	2.6
109.06497	5.4
112.07601	11.0
117.03366	2.6
119.04939	5.9
120.05695	1.4
120.51730	1.1
121.06479	18.3
121.10123	4.4
123.04401	1.7
127.03899	4.4
131.04916	15.9
133.02829	29.1
133.03801	2.0
134.03624	2.3
135.04413	2.1
135.08006	1.3
137.05937	18.3
139.03925	1.5
140.07077	7.3
145.02817	2.9
145.05011	2.8
147.04404	4.1
148.05156	4.8
149.05959	29.7
152.04684	1.3
155.06932	1.4
158.08165	1.3
159.04378	9.7
160.67044	1.0
163.03888	2.0
163.07588	1.9
165.05458	27.2
166.06070	1.0
167.07013	51.1
176.04681	5.1
177.05444	83.5
178.05901	1.8
181.08537	1.6
182.05725	2.6
191.07037	3.1
191.14275	1.9
194.05701	5.1
197.06218	2.7
197.06557	1.3
197.08052	70.2
209.08060	100.0
209.15324	2.6
210.08566	1.8
210.98480	1.3
216.86862	1.2
222.06517	1.1
227.09109	52.0
227.16467	1.7
228.09506	1.9
262.10776	1.3
284.11295	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	423.3614
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03929	3.5
53.08013	1.4
53.58617	1.4
55.05500	18.1
57.07063	9.0
59.04998	1.6
65.03922	1.7
65.61526	1.4
67.05162	2.5
67.05492	34.8
69.07056	49.6
71.04992	2.0
71.08602	3.3
79.05479	16.7
81.07042	57.5
83.04970	12.3
83.08601	20.4
85.10132	2.0
89.06016	10.7
91.05450	15.9
93.07035	34.7
95.04935	2.4
95.08591	70.7
97.06496	2.0
97.10133	8.1
99.08032	2.7
105.07010	36.7
107.08575	50.6
109.06515	3.0
109.10138	65.4
111.08070	4.8
111.11681	4.6
113.09663	3.0
117.07005	7.9
119.08561	45.6
121.10120	32.9
123.08051	2.4
123.11699	23.0
125.09663	2.7
128.06209	2.2
129.07016	8.1
129.46585	1.6
131.08548	21.2
133.08571	5.5
133.10112	30.1
134.32367	1.4
135.07997	2.2
135.11659	25.6
137.09602	2.1
137.13223	11.3
141.06941	2.7
142.07759	1.8
143.08534	15.1
144.09268	1.6
145.10100	32.2
146.03430	1.9
147.11668	31.8
149.09602	3.3
149.13237	21.1
151.14862	2.7
155.08551	7.2
156.09291	2.7
157.10117	17.7
158.10896	2.6
159.11673	28.5
161.13239	23.9
163.11191	1.8
163.14827	12.6
165.12746	4.3
167.08420	1.9
168.09409	1.8
169.10144	10.5
170.10857	2.4
171.11664	23.4
173.11833	1.2
173.13229	26.2
175.14810	15.3
177.16341	7.0
179.14287	2.8
181.10089	4.7
182.10880	1.9
183.11684	12.8
184.12233	2.1
185.13223	19.4
187.14778	22.5
189.12787	1.7
189.16365	18.3
191.14299	2.1
191.17940	4.4
195.11720	3.7
197.13229	12.2
199.14792	13.6
201.12712	2.3
201.16315	16.8
203.17924	10.8
205.15863	2.8
205.19492	5.4
207.17418	2.1
209.13202	5.1
211.14760	10.7
213.16371	12.9
215.17953	9.5
217.19510	4.1
219.17317	3.3
219.21048	2.0
223.14738	3.0
225.16318	8.2
227.17940	12.4
229.19481	6.8
229.51469	1.5
231.17378	2.4
231.21117	2.3
237.16393	4.1
239.14987	10.9
239.17625	9.3
241.19595	6.8
243.17461	2.2
243.21059	3.1
245.19032	7.0
245.22678	4.3
251.17896	1.9
253.19475	8.7
255.21059	5.5
257.19058	3.4
257.22574	3.1
259.20508	2.7
259.23486	1.5
265.19559	2.7
267.21066	14.2
269.22617	4.6
271.20532	3.2
279.20959	4.7
281.22562	5.2
283.24194	5.4
285.22031	12.1
295.24100	5.5
297.22125	1.8
297.25711	2.7
299.23547	3.0
307.24118	2.5
309.25952	1.9
311.23602	2.6
313.25226	8.4
321.25711	2.1
323.27347	4.7
335.27197	3.0
341.28427	3.8
349.28708	3.7
353.28555	2.3
363.30295	1.6
367.29944	2.9
377.31839	3.0
405.35159	40.9
406.35373	2.6
423.08612	2.4
423.27133	3.8
423.36557	100.0
424.36493	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	423.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.05500	14.0
57.03439	1.5
57.07066	6.7
59.05013	1.3
65.03920	2.7
67.05495	37.2
69.07061	25.2
71.04996	1.6
71.08627	1.4
73.15160	1.0
76.74923	1.0
79.05475	15.2
81.07044	51.9
82.07410	1.7
83.04986	1.9
83.08609	13.5
85.06529	1.9
87.18238	1.2
91.05461	19.1
93.07030	36.2
93.07619	2.1
95.04951	2.4
95.08591	74.3
97.06530	3.2
97.10160	4.8
99.08085	1.6
105.07011	49.6
107.08578	61.9
109.06499	2.4
109.10139	55.2
111.08070	3.5
111.11691	3.2
117.07003	5.4
119.08562	73.0
120.08911	3.2
121.06484	1.3
121.10129	49.4
123.08060	3.3
123.11683	25.0
125.09628	2.3
129.06996	2.6
130.07759	1.3
131.08553	17.9
133.10107	49.5
135.08060	2.0
135.11670	33.3
137.09570	2.5
137.13245	7.2
139.11166	1.6
142.07748	1.8
143.08537	9.2
144.09282	2.2
145.10107	32.6
147.11670	35.7
149.05888	1.8
149.09621	1.4
149.13232	34.5
151.11160	1.4
151.14806	4.7
155.08516	2.9
157.10106	13.5
158.10811	2.0
159.11673	29.8
160.12407	1.7
161.09563	1.3
161.13242	28.7
162.13588	1.2
163.11142	2.1
163.14803	18.3
167.24446	1.4
169.10022	6.1
170.10863	2.0
171.11653	14.4
172.12434	1.5
173.11755	3.8
173.13203	24.2
175.14801	27.6
177.12766	1.4
177.16377	16.7
179.10645	1.3
179.14226	3.4
181.10039	1.8
183.11696	6.3
184.12503	1.5
185.13251	11.1
187.14789	29.8
188.15196	1.5
189.16374	31.3
191.14278	1.5
191.17889	11.5
195.11719	2.9
195.13612	1.5
196.12392	1.5
197.13208	6.2
199.14789	9.6
201.16357	24.6
203.14244	1.4
203.17915	37.1
204.18323	2.1
205.15843	4.2
205.19504	2.9
207.17456	3.4
211.14778	4.2
212.15527	1.4
213.16310	7.7
215.17949	18.7
217.19514	10.3
219.17410	6.1
221.05771	1.4
223.14799	1.6
225.16365	3.2
227.14351	1.2
227.17882	7.5
229.19476	10.7
230.19818	1.5
231.21114	3.5
233.19043	3.0
237.16364	1.7
239.17938	4.5
241.19444	5.8
243.21042	9.8
245.19083	1.4
245.22629	2.4
247.20695	1.8
253.19499	3.3
255.21037	5.3
257.22736	2.6
259.20572	2.8
267.21072	5.2
269.22614	13.9
271.20602	1.5
273.22104	1.4
281.22562	3.7
283.24094	6.2
285.18820	2.3
285.22116	3.6
287.23648	4.5
295.24075	2.5
299.23590	2.9
309.25623	2.5
313.21811	1.3
313.25201	5.1
335.27057	3.0
349.28824	1.8
353.28424	2.6
363.30371	2.3
377.31906	2.7
381.31531	2.3
387.30396	1.6
405.35272	30.3
406.35394	3.6
415.63147	1.5
423.27249	12.4
423.36685	100.0
424.37418	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	423.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
55.01870	2.3
55.05499	21.6
57.03401	2.7
57.07048	5.5
64.58263	1.5
65.03922	1.8
67.05492	54.2
69.03401	5.6
69.07056	35.2
71.04961	2.9
71.08620	2.7
71.63015	2.7
72.48392	1.6
79.03842	1.5
79.05482	24.0
80.59205	1.5
81.03397	2.5
81.07042	77.2
82.55608	1.7
83.04935	2.6
83.08601	16.0
84.09009	1.7
85.02889	2.8
85.06516	2.8
91.05462	30.0
93.06458	3.4
93.07027	55.9
95.04939	5.8
95.08588	100.0
96.08899	2.1
97.06531	8.4
97.10143	10.0
105.07011	51.8
106.07368	1.8
107.08571	76.0
109.06494	3.9
109.10136	63.8
111.08046	8.1
111.11688	5.5
113.09587	2.2
117.07005	10.1
119.08559	72.6
120.08871	2.4
121.10118	62.9
123.08018	5.1
123.11655	25.9
125.09590	5.7
127.11040	1.8
128.06172	2.9
129.06972	6.3
131.08534	25.2
133.10104	54.8
135.08051	3.3
135.11665	37.3
137.13202	7.8
141.06987	2.1
142.07669	3.2
143.08543	14.2
144.09290	4.0
145.10101	41.0
147.11655	48.2
149.13237	46.1
150.13512	2.5
151.11145	1.9
151.14893	2.9
155.08470	5.4
156.09306	3.7
157.10097	21.2
158.10835	2.4
159.08086	2.0
159.11661	42.8
161.13237	28.0
163.11105	3.5
163.14795	24.9
165.12709	4.2
167.14365	2.3
169.10086	4.8
170.10872	2.9
171.11652	19.8
173.09570	2.3
173.11755	4.6
173.13208	40.1
174.13625	1.9
175.03967	2.8
175.14793	30.1
177.12772	3.7
177.16347	21.2
179.14287	3.9
182.10895	2.3
183.11734	10.4
185.13200	12.8
187.14772	34.4
189.16357	32.4
190.16608	2.5
191.14314	2.3
191.17921	14.6
195.11679	4.2
197.13235	8.6
198.14041	2.4
199.14761	12.9
201.12543	1.9
201.16365	22.6
203.14247	3.9
203.17920	23.4
205.15886	3.6
205.19536	1.9
207.11816	2.0
207.17503	2.1
209.13185	2.9
211.14777	6.7
213.16357	13.1
215.14417	3.1
215.17868	17.2
217.15839	2.1
217.19478	8.6
219.17371	3.8
225.16283	4.3
227.14345	2.4
227.17993	6.1
229.19542	12.8
231.17404	2.7
231.20978	2.3
237.16368	2.8
239.17909	7.9
241.19351	8.0
243.21036	11.8
245.18906	2.6
245.22685	3.9
247.20505	1.9
251.17975	1.9
253.19476	6.6
255.21045	6.1
257.19022	2.3
257.22513	5.0
261.22046	7.5
265.19318	2.0
267.21066	10.3
269.19595	2.3
269.22586	18.0
271.06085	2.7
271.24252	3.4
273.21967	3.0
279.20972	2.0
281.22525	4.9
283.24109	6.2
285.22037	19.5
289.12213	2.1
295.24179	4.2
297.25647	2.0
307.24039	2.0
309.25845	4.7
311.01523	2.0
311.23752	2.2
311.27390	5.7
327.23016	3.0
335.27039	1.8
349.28708	2.9
359.16443	2.5
363.30231	2.8
365.12253	1.8
377.17740	2.3
377.32001	9.3
387.15692	4.8
387.25171	2.6
388.16113	2.1
405.16840	15.7
405.26190	3.4
405.31168	5.6
405.35461	30.6
406.17285	2.3
406.35858	2.0
423.17880	4.7
423.27188	11.1
423.31946	30.4
423.36166	72.1
424.31897	3.1
424.36575	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.0
54.51952	2.0
55.01876	1.9
55.05502	31.0
57.03418	5.4
57.07059	9.6
58.34496	2.0
59.04981	3.2
65.03928	5.0
67.05495	96.6
69.03409	6.8
69.06715	3.0
69.07059	45.9
71.04980	5.7
79.05473	28.8
81.07042	100.0
83.04954	4.8
83.08596	17.8
85.06519	5.9
89.20365	2.2
91.05467	35.0
93.06464	4.7
93.07030	74.7
93.07615	4.8
95.04941	12.7
95.08595	95.9
96.08938	2.8
97.06502	10.8
97.10130	8.4
98.20713	5.7
99.04478	2.6
99.08039	2.7
105.07009	64.5
106.07329	4.2
107.07848	4.0
107.08574	79.7
109.06490	8.5
109.10133	94.7
110.01658	2.1
111.08017	10.2
111.11699	3.2
117.06995	12.9
118.07346	2.3
119.08562	79.4
121.06488	7.0
121.10122	66.3
123.08028	7.6
123.11691	26.6
125.09617	9.6
128.06166	3.1
129.06987	7.1
131.08551	38.0
133.10117	54.9
135.08041	4.4
135.11668	42.6
137.09579	6.2
137.13235	8.2
141.07019	2.3
142.07750	3.7
143.08546	19.4
144.09306	3.1
145.10107	42.8
146.10425	3.8
147.07977	3.1
147.11678	50.3
147.12808	2.1
149.09608	3.3
149.13234	43.4
151.11171	2.7
151.14804	2.9
155.08534	8.0
155.10686	2.6
156.09315	4.3
157.10107	24.0
158.10802	3.7
159.07999	4.3
159.11668	48.3
160.12122	2.5
161.09500	3.9
161.13231	32.4
163.11082	4.4
163.14793	22.4
165.12711	8.6
169.10129	11.4
170.10953	4.3
171.11659	23.3
172.12024	2.7
173.09547	2.5
173.11688	10.6
173.13232	26.2
175.11116	2.7
175.14813	32.1
177.12747	4.4
177.16336	16.8
179.14265	8.1
181.10092	3.0
183.11632	7.5
184.07269	5.8
185.13231	14.8
187.14795	35.4
189.12668	5.3
189.16364	35.9
191.14331	5.3
191.17911	13.1
193.15773	2.8
195.11702	2.3
195.13765	3.2
197.13199	9.6
199.14780	16.4
201.12674	3.6
201.16364	31.8
203.14268	6.2
203.17905	26.9
205.15796	4.7
207.17502	4.4
209.13245	3.6
211.14783	7.7
213.16422	12.2
214.17036	2.8
215.17906	17.3
217.15836	4.8
217.19498	13.1
219.17461	4.4
223.14786	3.7
225.16386	5.7
227.17934	8.4
229.01137	2.4
229.19479	18.5
229.37657	2.3
231.17432	4.6
231.21095	3.6
233.18932	3.3
237.16313	3.6
239.17821	5.4
241.19449	6.1
243.17528	3.0
243.21078	8.2
245.18929	3.5
245.22667	3.5
247.17046	2.5
247.24092	2.6
251.17816	2.4
253.19449	7.7
255.20836	4.2
257.22452	4.5
259.20645	4.8
267.21048	4.0
269.18878	2.5
269.22592	6.4
281.22702	3.9
283.24011	2.7
285.21884	3.3
295.24237	2.7
297.25772	3.7
299.23441	3.8
300.23846	2.7
313.25165	3.6
328.23474	3.6
359.16428	2.8
377.31796	6.7
387.15619	6.7
387.29962	3.7
405.16901	23.3
405.31107	8.8
405.35608	27.6
406.17267	4.4
406.35580	3.1
423.08530	4.1
423.17804	7.2
423.27292	41.6
423.32104	42.9
423.36191	72.8
424.27643	7.8
424.36691	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	423.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53037	1.6
52.48602	1.5
53.03932	2.7
55.05496	16.3
57.03415	3.1
57.07049	4.1
57.31488	1.7
61.44373	1.6
65.03918	2.5
67.05496	38.8
67.48064	1.8
68.69747	1.8
69.03413	2.1
69.07058	19.5
70.77876	3.2
70.78236	3.7
71.04974	5.0
71.08616	3.1
79.05476	21.8
81.07041	61.9
83.04945	4.8
83.08605	9.3
85.06518	4.3
89.06008	2.7
91.05460	22.2
93.07025	41.5
95.04932	5.2
95.08591	68.9
96.08939	2.6
97.06509	22.8
97.10136	6.8
98.01506	1.6
99.08092	2.2
105.07016	40.7
107.08582	49.9
109.06493	5.8
109.10137	58.6
111.08068	9.7
111.11684	2.7
117.06976	7.6
119.08561	70.0
120.08923	1.6
121.06464	6.9
121.10127	32.2
123.08030	7.8
123.11673	27.3
125.09608	5.7
129.06937	5.9
130.07791	1.7
131.08556	19.3
133.06474	3.1
133.10117	33.5
135.08020	11.1
135.11679	23.5
137.09610	2.3
137.13222	5.5
139.11104	2.5
141.06981	2.3
142.07759	2.8
142.32335	1.8
143.08533	12.9
145.10098	31.9
147.08005	6.2
147.11662	24.4
149.09587	7.8
149.13249	15.5
151.11073	2.4
155.08574	4.8
156.09270	8.2
157.10104	19.9
158.10884	2.4
159.08017	3.0
159.11655	30.9
161.09602	6.9
161.13243	18.2
163.11156	3.0
163.14812	9.6
167.14368	1.7
169.10066	10.5
171.11664	19.7
173.09573	8.1
173.13217	20.4
175.11121	11.4
175.14836	15.6
177.12753	4.7
177.16336	6.2
179.14311	2.2
183.11647	5.4
184.07298	2.7
185.13144	13.1
187.11201	16.4
187.14796	15.2
188.46332	1.7
189.12714	44.9
189.16374	8.6
191.14288	5.8
191.17871	4.3
195.11746	2.1
197.13203	6.1
199.11189	1.9
199.14749	9.4
201.12692	12.5
201.14662	2.0
201.16287	11.2
203.14355	11.5
203.17863	6.6
205.15848	2.6
209.13184	4.6
211.14690	4.6
213.12675	2.5
213.16290	5.7
215.14415	8.0
215.17943	8.6
217.15825	5.4
219.17462	2.4
225.01242	1.6
225.16309	3.2
227.17926	3.8
229.15866	2.2
231.17450	2.1
231.20930	3.5
233.19034	6.4
237.16118	2.3
239.14790	2.1
241.19447	2.8
249.22079	2.6
253.19359	3.8
255.21048	1.9
257.18976	2.3
267.21118	1.8
269.22443	2.2
279.21094	2.3
281.22519	2.0
283.20438	2.0
297.21997	5.4
323.23288	2.2
325.25214	2.8
348.13116	2.9
385.44897	1.7
387.30566	3.1
405.31415	20.5
406.31857	2.2
423.28510	6.2
423.32410	100.0
424.32599	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	423.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.05498	8.5
57.07067	1.1
63.05659	0.8
65.03918	1.3
67.05490	22.3
69.03408	2.0
69.07051	7.8
69.53175	5.1
69.53582	1.7
71.04954	0.7
79.05475	10.0
81.07041	33.9
83.04958	1.8
83.08593	4.8
85.06529	1.7
91.05466	13.1
93.07022	31.3
95.04942	2.5
95.08587	100.0
96.08913	2.1
97.06509	2.2
97.10144	1.7
98.20795	1.7
105.07010	26.2
107.08572	32.7
108.08904	1.0
108.37714	0.7
109.06479	6.3
109.10133	21.3
111.08075	1.5
114.08578	0.8
117.06990	3.1
119.08557	36.1
120.08891	1.6
121.06483	3.0
121.10116	24.4
122.10450	1.1
123.08042	2.8
123.11680	4.6
123.36279	0.9
125.09621	1.2
128.06200	1.5
129.06985	2.4
130.07768	1.2
131.08549	13.9
133.06441	0.8
133.10110	23.4
135.08040	3.4
135.11670	10.8
137.09579	2.0
137.13142	1.1
141.06961	1.0
142.07765	1.4
143.08534	7.1
144.09274	1.0
145.10100	23.0
146.10367	1.1
147.08006	2.1
147.11664	14.5
149.09602	2.7
149.13242	15.0
151.11098	1.4
155.08559	3.0
156.09334	1.7
157.10101	10.9
159.08083	2.1
159.11659	16.3
161.09634	4.2
161.13229	10.0
163.11188	2.6
163.14801	14.7
165.06859	0.8
169.10143	2.3
170.10864	1.0
171.11662	7.9
172.12392	1.3
173.09541	1.8
173.11752	1.5
173.13203	12.3
175.11168	2.6
175.14789	11.7
177.12735	2.5
177.16345	9.9
181.10120	2.2
183.11620	5.4
185.09566	1.0
185.13232	7.0
186.13557	0.9
187.11140	2.2
187.14781	20.9
188.15082	1.5
189.12721	3.1
189.16322	11.7
191.10765	0.9
191.14302	2.7
191.17952	7.5
195.11655	2.5
197.13211	5.1
199.11176	0.8
199.14795	6.8
201.12766	2.5
201.16354	7.1
203.14262	5.4
203.17888	8.9
205.15907	0.8
207.11769	1.0
207.13828	3.2
209.13228	1.4
211.14803	4.3
213.12712	1.0
213.16344	8.0
215.14319	4.1
215.17928	7.4
217.15831	1.6
217.19431	1.8
219.13795	2.4
219.17317	1.2
221.13170	0.9
221.15228	0.9
223.14764	1.9
225.16362	3.0
227.14288	2.4
227.17903	1.7
229.15796	3.0
229.19475	2.3
231.13770	5.8
231.17439	2.3
233.15276	6.2
237.16368	0.9
239.17926	1.5
241.15845	1.7
241.19537	2.1
243.17450	0.9
243.20984	0.9
245.15308	6.2
247.16818	1.4
249.16257	1.0
249.18520	1.2
251.18036	1.5
253.19392	1.5
255.21075	1.7
257.19064	1.1
259.16956	1.9
261.18671	1.1
267.21170	1.3
271.17038	1.9
275.20175	0.9
277.19672	1.3
279.21115	1.6
281.19345	0.9
281.22336	4.2
291.21204	1.3
295.20712	1.0
297.22095	0.8
299.23694	0.9
309.22040	6.4
311.23474	0.9
317.22437	0.9
321.25534	1.2
327.23108	35.6
328.23386	1.5
335.23651	1.3
353.24722	6.4
363.30951	0.9
375.30292	1.3
377.31973	2.1
387.30371	3.6
393.31812	1.7
405.31458	29.5
406.31628	1.6
423.27408	5.9
423.32486	76.4
424.32782	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	423.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01863	1.5
55.05254	1.1
55.05502	12.7
57.03427	2.7
57.07059	2.9
59.04990	3.1
65.03934	2.8
65.63989	0.6
67.05494	100.0
68.05802	1.0
69.03416	1.5
69.07059	15.2
71.04980	5.2
73.02897	0.7
74.53368	0.6
79.05480	22.8
81.03411	2.3
81.07044	56.5
82.07378	1.0
83.04970	3.5
83.08605	11.0
83.09042	1.0
85.02896	1.1
85.06526	4.7
91.05466	19.4
91.05996	1.3
91.69298	0.6
92.05780	0.6
93.07029	32.9
94.07353	0.8
95.04957	4.4
95.08591	24.9
97.06517	6.6
97.10175	1.9
98.20761	1.6
99.08092	1.8
105.07018	16.5
107.08576	22.5
107.09277	1.1
109.06529	2.9
109.10137	63.3
110.10493	1.3
111.08078	6.4
113.09641	0.7
117.07001	8.0
118.88182	0.6
119.08563	19.5
120.08874	1.4
121.06499	2.1
121.10116	14.5
122.10502	0.6
123.08065	2.2
123.11691	5.8
125.09631	1.9
127.07585	0.8
128.06227	0.7
129.06996	2.0
130.07726	1.0
131.08539	9.7
131.09360	0.8
133.06523	0.9
133.10115	14.2
135.08064	3.1
135.11681	10.2
137.09622	3.4
137.13257	1.9
139.11119	0.7
141.07014	0.9
142.07791	1.4
143.08530	5.2
145.10106	12.0
147.08069	1.4
147.11673	6.7
149.09663	2.4
149.13239	16.6
149.14336	1.0
155.08548	2.5
155.10684	2.6
156.24292	0.7
157.10121	6.4
159.11664	13.9
161.09656	1.9
161.13246	5.9
163.11206	1.8
163.14824	5.4
167.08609	0.8
169.10095	3.9
170.11058	0.7
171.11682	5.3
173.09644	3.1
173.11755	16.0
173.13292	6.1
175.03961	1.2
175.11276	1.6
175.14874	3.9
177.12718	3.7
177.16389	4.0
180.81444	0.8
181.10146	1.5
183.11739	2.4
185.13271	3.9
186.13670	1.2
187.11183	3.9
187.14822	9.7
188.15219	1.8
189.12772	2.2
189.16365	5.7
191.14369	0.9
191.17928	1.0
195.11787	2.2
195.13844	10.3
196.14201	0.8
197.13286	2.1
199.14865	2.7
201.12726	2.2
201.16353	4.0
203.14351	2.9
203.18011	2.1
205.15924	2.5
207.13776	1.6
209.13313	1.5
211.14859	1.9
213.12970	0.8
213.14684	1.2
213.16422	2.5
215.14366	1.9
215.17860	5.8
217.16014	0.8
217.19739	0.7
221.13260	0.7
223.14816	0.7
223.34480	0.6
225.16396	1.3
227.14330	1.0
227.18004	1.0
229.15927	1.3
229.19600	1.2
233.15315	6.9
237.16354	1.0
239.17918	1.5
241.19545	1.4
243.21164	2.1
245.15398	1.1
253.19633	1.5
255.21150	0.8
265.19562	0.8
267.20966	0.8
271.06091	2.1
285.10135	0.8
293.22638	0.8
297.21921	0.8
387.30569	0.8
393.31363	0.7
398.82861	0.7
405.27106	1.2
405.31647	7.5
423.27478	71.0
423.32651	32.8
424.27759	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	423.2346
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
57.07053	0.3
67.05492	1.1
69.07047	0.5
71.42330	0.6
79.05453	0.8
81.07035	1.9
85.02856	0.3
91.05476	2.8
93.07027	1.4
95.04929	0.7
95.08582	1.3
97.06507	0.5
98.76361	0.3
105.07018	1.4
107.08553	1.7
109.10122	1.2
112.55168	0.3
119.08555	1.0
121.06493	0.4
121.10140	0.7
123.08041	0.4
131.08553	0.5
133.10118	1.1
135.11649	0.4
143.08574	0.3
145.10094	0.8
147.11624	0.4
157.10085	0.6
159.11668	0.6
160.69185	0.3
161.13232	0.4
165.09096	0.5
171.11691	0.6
173.13283	0.4
175.03893	1.0
197.13275	0.4
199.14842	0.4
271.05945	0.7
343.67484	0.4
374.20660	0.3
405.24194	0.4
423.23471	100.0
424.23749	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	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01866	0.9
55.05502	13.2
57.03424	3.3
57.07071	1.3
59.04984	3.4
59.72997	0.7
64.99493	0.8
65.03924	2.7
67.05495	100.0
68.05837	1.1
69.03423	0.7
69.07056	11.8
71.04986	3.9
71.32573	1.7
73.59351	0.8
75.53211	0.8
79.05486	19.4
81.03423	1.2
81.07047	52.5
82.07386	0.9
82.70041	0.7
83.04961	3.9
83.08602	11.2
83.14503	0.7
85.06526	3.0
91.05467	15.4
91.06000	1.3
93.07028	31.3
95.04971	4.0
95.08595	17.2
97.06535	5.7
97.10191	2.1
99.08079	1.4
102.45383	0.7
103.05475	0.8
105.04514	1.1
105.07013	9.1
107.08577	18.7
108.36335	0.7
109.06503	2.3
109.10139	61.3
110.10477	1.1
111.08067	6.0
117.06982	6.1
119.08556	11.6
121.06492	2.1
121.10130	11.1
123.11719	2.0
125.09666	0.8
129.06961	0.9
131.08546	6.5
133.10107	9.0
135.07991	1.7
135.11690	6.8
137.09616	3.0
139.11212	1.3
143.08546	2.3
145.10088	5.1
147.08072	1.0
147.11681	3.0
149.09592	1.4
149.13232	15.5
149.14348	1.1
151.11160	0.8
155.08575	1.1
155.10645	3.7
157.10104	3.3
159.11665	9.6
161.09590	1.0
161.13242	2.4
163.07477	0.8
163.14833	1.1
167.19963	0.8
169.10089	1.3
171.11688	2.7
173.11749	17.2
173.13248	3.2
175.11160	1.6
175.14819	2.7
177.12679	3.8
183.11728	1.6
185.13234	1.8
187.11157	1.0
187.14807	3.5
189.12738	1.0
189.16370	2.2
195.12057	1.3
195.13754	7.5
197.13298	1.2
199.14772	1.4
201.12711	0.8
201.16382	1.5
203.14322	2.4
206.39427	0.8
211.14825	1.2
213.14769	1.2
215.17921	1.0
264.24088	0.8
271.06082	1.6
387.22733	0.8
405.26968	1.7
405.31833	3.5
423.27405	85.2
423.32544	10.3
424.27707	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	423.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.19231	0.6
55.01871	0.7
55.05475	1.4
57.03406	0.8
61.86940	0.6
67.05489	1.5
69.03406	2.1
69.07052	1.8
69.12328	0.6
71.04958	1.7
71.62504	0.8
73.02900	1.3
78.04678	2.6
79.05487	5.6
81.03394	1.7
81.07047	3.8
83.04974	0.7
85.02892	3.6
91.05448	3.2
91.37651	0.5
93.07027	1.5
95.04938	2.9
95.08600	3.5
96.08115	1.8
97.02863	0.8
97.06496	0.8
98.06048	0.8
99.04443	2.4
103.05446	4.0
105.03359	2.5
105.07020	6.2
106.04161	1.4
107.04947	7.1
107.08562	1.7
108.08928	0.8
109.02886	1.0
109.06476	1.9
109.10140	1.3
111.08073	1.0
112.08344	0.7
115.05435	2.0
115.07548	1.3
117.07015	1.5
118.04118	0.7
119.04893	0.8
119.08530	1.3
121.02877	3.3
121.06451	1.7
121.10126	1.3
122.03618	0.7
122.10414	0.8
123.04405	7.5
123.08044	2.5
124.03963	0.8
124.05211	3.3
124.07571	17.2
124.08462	1.2
125.09595	0.7
127.03893	1.1
127.07556	0.6
129.06961	1.3
131.04892	5.4
131.08592	1.2
133.06488	5.4
133.10185	0.9
135.08035	1.8
137.05939	4.4
137.09601	1.5
139.11086	0.9
140.07034	2.0
141.09036	1.1
142.08618	21.7
143.04921	0.7
144.05684	0.7
145.06465	2.8
145.10127	1.3
147.04410	3.0
147.11716	0.7
149.09602	1.2
151.03934	1.6
151.07542	2.4
152.04654	1.7
153.05391	0.7
158.07022	0.9
158.08107	2.3
159.08009	1.3
161.05956	6.0
163.07533	12.0
163.11163	0.8
165.12802	0.7
167.07022	100.0
168.07610	2.2
169.08141	0.8
173.05956	1.0
173.09573	1.0
175.07530	2.6
177.05569	0.6
177.09093	2.2
179.07019	2.3
181.08591	3.4
181.12209	1.8
182.12573	1.5
187.07518	2.7
188.40256	0.6
189.09119	1.3
190.13080	1.5
191.07072	0.8
193.08601	15.1
201.09123	2.2
206.94855	0.6
207.13771	2.0
208.14130	2.7
219.10187	1.8
225.14882	2.2
226.15088	4.5
231.08067	0.9
233.11749	2.6
237.11180	2.1
243.15904	0.9
244.16275	2.7
291.10092	1.2
295.13202	0.8
323.12793	1.7
355.15344	2.6
387.18079	1.5
405.13110	0.8
423.12537	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	423.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	1.6
69.96230	2.0
69.96640	0.9
71.04993	0.7
81.03413	3.5
81.07042	1.6
83.08579	0.7
85.02879	1.8
86.06036	2.1
89.03900	5.5
94.09259	0.7
95.08573	1.0
97.06489	1.1
99.04491	0.9
105.06998	0.7
107.08543	0.7
108.28323	0.6
109.02875	1.6
112.05053	1.0
117.03365	18.4
119.08494	1.0
121.10094	0.8
123.08088	0.6
127.03839	0.7
133.24933	0.6
134.03654	1.5
135.04382	1.0
137.05948	0.8
138.60872	0.7
145.02826	46.2
146.03169	0.7
147.04388	0.6
149.05975	6.0
155.08498	0.9
163.03818	0.7
177.05446	100.0
178.05835	2.1
183.08025	1.0
186.05360	1.1
195.06483	0.9
215.10698	0.9
243.10176	2.1
248.20779	0.6
309.25140	0.6
321.09653	4.2
339.10699	5.3
373.10248	0.6
391.10815	0.7
448.72580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56496	0.8
56.43933	0.8
56.79554	0.8
56.88796	0.7
57.03417	1.0
58.99839	0.8
61.02921	1.0
61.16993	0.8
63.11337	0.8
67.35194	0.7
69.03419	2.6
70.06576	1.4
70.79266	2.0
71.75557	0.7
73.72808	0.7
77.97009	0.9
81.03390	1.4
82.99857	1.7
85.02898	5.1
94.99819	1.1
97.02863	2.6
101.00857	11.2
103.02412	1.1
112.07602	2.4
113.00859	3.8
115.02441	3.3
119.01913	26.7
120.02026	0.9
121.02840	2.1
121.06503	1.8
125.57950	0.8
127.02431	1.1
127.03902	1.4
129.03976	2.3
130.08612	1.0
130.75505	1.0
131.00922	0.9
131.01901	18.6
131.05547	7.4
133.03477	5.3
137.00844	1.7
137.02950	2.1
137.05971	1.0
140.07063	1.1
143.01889	46.5
144.01976	2.1
145.01677	1.6
145.03452	7.8
145.04991	1.5
147.05034	3.3
149.02950	3.7
149.06586	12.6
155.01886	22.5
155.05464	1.6
156.02684	1.9
157.03484	4.1
159.05009	3.6
160.06500	1.0
161.02948	58.5
162.03094	2.2
163.04037	1.3
167.05714	1.1
167.06969	4.0
169.07024	1.3
171.05061	4.0
173.02957	21.9
173.06586	30.1
175.04547	2.1
175.08208	1.3
177.06142	5.2
184.04471	1.8
185.03021	2.3
185.06587	38.1
187.04472	1.0
187.08133	9.7
189.06088	1.8
191.07629	12.5
197.06609	3.8
199.08131	2.2
201.06206	2.7
201.09859	1.2
203.04008	6.1
203.07632	24.9
204.07758	1.1
205.09204	2.4
209.06464	1.1
209.08202	1.6
215.07626	13.5
217.09178	2.5
219.07111	1.9
221.05048	23.6
222.05278	0.9
227.07372	4.5
227.08722	1.2
227.09462	2.2
233.08691	4.3
244.06783	1.2
247.06688	0.9
257.08624	6.0
261.08197	1.4
267.09006	1.7
273.08200	1.5
275.09750	42.7
276.10074	3.0
282.59784	1.1
293.10791	85.7
294.10992	3.6
316.12454	2.0
319.12335	1.0
333.10483	1.2
335.11807	4.8
347.12149	1.7
351.11362	1.0
363.11319	2.2
369.48843	0.8
373.09592	2.4
388.16223	0.9
391.10886	1.0
405.11975	18.5
406.12521	1.1
423.13434	100.0
424.13516	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	422.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.6
57.03418	1.5
57.07061	2.0
57.67809	0.8
59.04977	1.0
64.93497	0.7
65.03899	0.8
67.05493	20.9
69.07062	11.7
71.32939	1.6
79.05477	12.0
81.07047	35.7
82.07390	0.9
82.69815	0.8
83.08604	5.0
84.39568	0.7
85.06541	1.0
86.44971	0.9
91.05463	10.5
93.07030	21.4
94.07361	1.4
95.04926	1.8
95.08594	35.4
97.06526	1.6
97.10152	3.4
103.05432	0.8
104.06219	1.3
105.07015	34.3
107.08575	20.8
109.06540	1.3
109.10139	18.2
110.67592	0.8
111.08025	1.7
111.11699	4.2
115.05428	1.3
117.06999	8.3
119.07772	1.5
119.08561	18.8
121.06504	2.0
121.10121	20.0
123.11679	8.9
128.06236	1.6
129.06981	10.2
130.07739	1.2
131.08540	21.7
133.10109	31.0
135.08040	1.5
135.11679	17.9
137.13185	3.9
140.45912	0.8
141.06996	1.5
142.07745	3.5
143.08531	18.3
144.09294	1.3
145.06314	0.9
145.10103	26.0
145.11263	1.4
147.11664	25.1
148.11913	1.0
149.09604	6.2
149.13234	14.3
151.14836	0.9
155.08522	3.9
156.09322	1.3
157.10103	28.8
158.10588	1.0
159.11667	26.7
160.11974	1.4
161.09566	1.5
161.13226	11.8
163.11127	4.2
163.14833	3.2
169.10068	3.4
171.11667	16.9
171.13107	1.3
172.12306	1.2
173.09570	1.0
173.11800	1.2
173.13226	13.7
174.13608	1.3
175.11176	2.8
175.14784	5.9
177.09114	4.1
177.16345	1.4
179.10735	1.2
181.10060	1.0
183.11661	3.1
184.07375	0.9
185.09663	4.3
185.13217	15.4
186.13783	1.1
187.14760	8.2
189.05792	0.9
189.12770	1.7
189.16336	3.6
191.10635	6.1
193.12202	2.3
195.10123	6.4
195.11690	1.3
197.13203	2.6
199.11102	3.2
199.14787	11.5
201.12698	0.9
201.16298	4.0
203.10606	11.6
203.14279	2.1
203.17915	1.7
205.12260	3.2
207.13737	1.0
209.11676	12.5
209.13414	0.9
211.14835	4.0
213.12715	2.5
213.16319	2.2
215.17960	3.4
217.12198	11.1
217.15775	2.6
219.13741	2.5
221.11717	2.1
225.16356	4.9
227.14351	1.9
227.17912	14.6
228.18457	1.7
231.13728	6.8
233.15358	1.7
239.17926	2.9
245.15306	5.8
249.14903	2.5
253.19501	9.8
257.15323	2.5
263.16373	3.5
264.49377	0.9
267.17410	1.0
271.17020	1.1
271.20322	0.9
281.22607	36.3
282.22922	2.5
283.24152	7.3
284.24530	0.9
285.18585	0.9
299.23642	32.1
300.24011	1.9
309.22086	15.7
310.22516	1.5
327.23123	100.0
328.23465	6.7
345.24197	30.2
346.24423	2.8
362.26859	1.8
377.32007	1.0
405.35052	1.2
422.28931	30.2
422.34717	1.5
423.08536	2.8
423.27457	5.2
423.36163	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
57.07067	11.6
61.67195	1.1
64.27968	1.1
67.05497	8.8
69.07059	9.0
71.04969	3.1
71.08331	1.2
71.08627	13.5
74.33446	1.3
79.05476	2.3
81.07058	6.5
81.07439	1.4
83.08598	4.4
89.06024	3.7
91.05463	2.1
93.07025	3.9
95.08585	5.7
105.07031	4.1
106.07394	1.3
107.08586	5.7
109.10147	43.4
113.13293	2.0
117.07008	1.3
119.08548	3.8
119.57694	1.1
121.02851	2.7
121.10127	2.6
123.08010	1.4
127.11178	100.0
128.11494	2.4
131.08562	1.3
133.08636	1.3
133.10126	2.1
142.68268	1.3
143.08498	1.5
145.10143	2.6
149.02327	54.4
149.13319	1.2
152.36288	1.3
159.11638	2.3
167.03333	1.5
182.32649	1.3
195.12193	2.0
203.17934	1.7
249.43613	1.3
351.40295	1.1
422.34860	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	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.6
60.75426	0.6
62.19187	0.5
69.03419	0.7
70.98665	1.2
71.04987	9.0
71.64894	0.6
79.05470	1.0
81.07050	1.5
83.04971	0.8
83.08617	3.3
85.02898	0.8
91.05508	0.5
95.08604	0.9
97.06492	0.9
99.04440	42.6
100.04747	0.9
105.07007	1.1
107.08588	11.6
109.06504	8.7
113.09620	1.9
117.28465	0.6
119.08525	0.6
119.12090	0.6
121.10118	3.4
123.08046	7.5
123.11681	4.2
125.09621	3.4
133.03032	0.6
135.46768	0.5
137.09644	0.6
139.11247	0.5
141.12737	0.6
147.11655	2.0
149.09610	4.3
158.67119	0.6
165.12729	7.6
167.09294	1.0
167.10664	16.0
183.13786	15.9
189.12624	0.8
207.13785	1.3
224.07100	0.5
225.14825	100.0
226.15215	3.2
326.91312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.7
55.05490	3.1
57.03427	1.8
67.05482	3.7
69.03403	6.6
69.07062	4.4
69.51853	13.7
69.52267	4.2
70.06574	6.6
71.04987	11.8
79.05490	2.7
81.03381	4.6
81.07035	8.1
82.49388	1.8
83.04958	3.5
83.08605	2.7
85.02887	9.5
91.05462	7.0
93.07020	6.9
95.04951	4.1
95.08582	6.4
97.02863	7.5
97.06506	5.3
99.04438	40.8
105.07034	8.3
106.02883	4.3
107.08584	25.5
109.02821	2.7
109.06493	12.4
109.10139	6.3
111.08081	3.6
112.07596	6.0
113.09612	2.0
119.08571	9.2
121.02860	4.6
121.10155	11.3
123.04403	1.9
123.08057	31.5
123.11687	6.6
124.03909	7.8
125.09612	6.6
127.03831	2.3
131.08609	3.6
133.10063	2.7
135.08060	2.3
137.02333	3.2
137.09583	4.0
139.11089	3.2
140.07031	8.0
145.10085	2.7
146.84073	2.0
147.08072	2.5
147.11649	5.6
149.09621	12.8
151.07475	2.6
155.10674	2.7
161.13255	5.7
165.12737	9.0
167.10669	19.0
168.06531	2.8
177.12733	6.2
178.09845	2.3
179.14253	2.8
181.08719	3.2
181.12311	2.4
183.13782	14.2
189.12692	7.9
195.13808	23.2
200.84122	2.2
207.10022	2.0
207.13765	24.5
209.11681	1.7
225.11218	5.5
225.14827	100.0
226.15207	2.0
243.12399	3.5
260.09082	2.3
268.08203	2.2
442.89133	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.7
53.03938	5.9
55.01866	0.7
55.05495	1.9
56.52999	0.5
57.03417	0.6
58.56236	0.5
67.05486	2.2
69.03419	6.5
69.07056	2.7
70.07356	0.5
71.04980	1.3
71.62478	0.5
71.62880	0.7
77.03903	0.7
79.05479	5.4
81.03408	22.5
81.06642	0.5
81.07052	3.3
82.07342	0.6
83.08600	1.1
85.02899	6.9
87.67586	0.5
91.05467	2.8
92.05785	0.5
93.07027	2.3
95.04955	6.5
95.08590	3.9
96.08993	0.6
97.02876	12.8
97.06512	2.1
97.10120	1.0
98.06854	0.8
99.04447	2.4
101.46786	0.5
105.03375	100.0
105.07011	2.3
106.03712	1.3
107.04993	0.5
107.08612	1.7
108.04464	1.3
108.08926	0.6
109.02863	11.5
109.06520	1.1
109.10148	2.1
110.10446	0.6
119.08555	2.3
120.08903	0.6
121.06544	0.7
121.10127	1.9
122.10430	0.6
123.04417	7.7
123.08063	0.6
123.11720	0.6
125.09705	0.8
127.03899	10.5
130.18069	0.5
131.08540	1.3
133.10124	1.4
135.11665	1.0
137.09595	0.8
137.13211	0.7
139.03885	1.8
143.08551	0.7
145.04924	3.7
145.10100	1.1
147.11656	0.5
152.09140	0.7
157.10147	1.0
159.11699	1.0
161.13254	0.6
163.03925	1.8
164.04193	1.0
165.16397	2.1
170.10519	0.6
173.13242	1.0
175.14728	0.6
177.09058	0.6
185.13206	0.8
187.14812	0.8
189.16420	1.6
199.14693	0.7
200.15144	0.7
201.16272	0.7
207.17375	2.4
215.07083	0.8
216.07332	0.7
219.10226	0.6
225.18506	2.8
243.19574	1.1
249.07552	41.1
259.09689	1.1
260.10031	3.7
267.08618	12.4
271.06024	0.9
312.20181	0.8
330.21454	1.1
404.25204	0.8
422.26007	0.7
422.31409	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.8
53.03939	3.2
55.01866	0.9
55.05500	1.1
56.64773	0.5
57.03417	1.8
61.02911	0.6
66.92173	0.6
67.05492	0.7
69.03417	9.7
69.07061	0.7
70.06583	2.1
71.04978	1.1
71.62627	0.9
73.02892	0.8
78.03439	16.6
80.04987	2.9
81.00132	0.6
81.03405	22.1
81.07048	1.5
83.04990	0.9
85.02893	10.6
91.05457	1.7
93.07026	2.1
95.04964	1.3
95.08598	2.0
96.02094	1.4
96.04471	5.9
97.02881	7.1
97.06538	0.7
99.04424	4.7
105.07030	1.7
106.02899	71.9
107.03255	1.5
107.04959	0.7
107.08574	3.1
109.02866	13.6
109.06525	1.1
109.10149	1.0
112.07578	0.8
113.05956	0.9
119.08578	2.7
121.02883	1.7
121.06487	0.8
121.10149	2.1
123.04436	0.7
123.08061	2.4
123.64177	0.6
124.03934	100.0
125.04284	1.4
125.05965	1.1
127.03893	10.8
127.11216	0.8
133.10164	1.1
133.70471	0.7
135.08034	0.8
137.02316	52.9
137.05913	1.2
137.09521	1.6
138.02699	0.7
138.80486	0.6
145.04912	1.8
149.09578	2.1
151.07512	0.8
151.11201	1.0
154.12753	0.6
155.03337	1.2
161.05922	0.6
161.09625	0.8
161.13235	0.9
163.11140	1.8
165.12788	0.9
167.10712	0.8
177.12737	1.4
179.10684	1.8
179.85207	0.6
189.12759	2.7
195.13795	1.8
196.06039	1.1
197.11746	2.4
201.05316	0.8
207.10187	1.0
207.13724	5.1
225.11247	3.8
225.14780	6.3
232.06082	1.3
232.09705	1.6
243.12306	2.2
243.15849	1.8
250.07080	37.5
251.07544	1.6
260.09177	4.8
260.12674	0.9
264.93878	0.6
268.08121	40.5
269.08429	1.2
270.07587	0.7
404.09717	22.0
405.10223	1.6
422.10641	27.4
422.19604	1.3
423.11203	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.367
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.86805	1.4
55.05503	26.3
55.40709	1.7
57.03422	2.8
57.07067	26.1
64.06730	1.6
67.05494	9.0
69.07056	38.0
71.08614	14.6
76.21190	1.7
79.05487	6.7
81.07047	21.2
83.04971	40.0
83.08608	19.8
85.10165	9.1
89.06030	4.5
91.05458	2.8
91.63967	1.5
93.07018	11.1
95.08596	20.6
97.10162	12.7
105.07018	10.0
107.08579	10.9
108.43574	1.6
109.06512	6.9
109.10142	12.1
111.08055	5.3
111.11697	3.8
113.02091	1.6
119.08556	10.7
121.06505	3.3
121.10119	6.9
123.08052	10.6
123.11699	5.8
125.05908	2.1
131.08522	1.7
133.08583	2.0
133.10123	6.0
135.08049	8.0
135.11678	3.2
137.05954	18.3
137.06921	1.9
137.09645	5.8
137.13243	2.8
139.07533	12.0
143.08530	2.7
145.10146	3.0
147.08093	1.7
147.11658	6.2
149.09595	3.1
151.07506	8.5
151.11177	4.0
155.07004	5.9
156.35103	1.8
157.10010	1.6
159.11684	3.2
161.00600	1.7
161.09590	22.7
161.13206	5.9
165.09151	4.8
165.12761	5.4
171.11653	1.8
174.10385	2.7
175.11150	6.3
175.25543	1.7
177.12668	1.8
179.10626	5.4
179.14272	3.7
189.12746	12.2
189.16464	2.5
193.12183	3.7
203.14311	1.7
206.45589	1.7
207.13722	4.1
279.01752	1.8
295.73822	1.9
357.35080	3.1
375.36172	28.0
385.34555	12.3
403.35629	91.4
404.36047	5.1
421.36716	100.0
422.37134	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	421.3669
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
52.78386	0.4
53.03928	1.1
54.14012	0.4
55.01870	2.3
55.05496	6.4
55.37111	0.4
57.03427	0.8
57.07067	4.0
67.05489	9.8
69.03409	0.7
69.07055	13.3
69.34826	2.1
69.35262	2.2
71.04958	0.6
71.08619	3.1
79.05473	1.7
81.07037	5.1
83.08604	7.9
85.06516	0.8
85.10145	1.0
89.06002	0.8
91.05454	4.4
93.07025	33.5
93.20506	0.4
94.07348	0.6
95.04965	2.2
95.08585	20.3
97.06529	1.3
97.10157	4.2
105.07001	1.8
107.08549	4.7
109.06490	0.8
109.10132	4.1
111.08060	16.3
111.11690	1.5
112.08387	0.5
116.07083	0.6
119.08572	2.7
121.06477	1.9
121.10100	3.0
121.46508	0.4
123.08033	0.8
123.11698	1.8
124.77482	0.5
125.09606	1.8
127.07520	3.0
131.08556	0.6
133.10095	2.0
135.08102	0.4
135.11658	1.6
137.09575	0.8
137.13220	0.7
139.07510	17.2
145.10103	1.6
147.11639	1.5
149.09590	0.8
149.13286	1.1
151.11140	1.5
153.09074	10.9
155.01068	0.7
157.08572	3.6
157.09874	0.7
159.11671	1.2
161.13240	1.2
163.11253	0.6
163.14821	0.5
165.09119	0.6
165.12735	0.5
167.10640	5.9
169.10059	0.5
173.13197	0.8
175.11269	0.4
175.14813	0.7
179.10687	1.1
181.12202	4.7
185.13266	0.6
187.14839	1.0
189.16376	0.8
191.17851	0.5
193.12233	1.4
195.12183	0.6
195.13774	4.4
199.14789	0.6
201.16391	1.0
203.17892	1.0
207.13744	2.2
209.15344	3.0
221.15329	0.6
223.16913	1.9
237.18594	0.8
251.20131	1.1
255.21117	0.5
263.20163	0.5
265.21664	2.0
277.21552	0.7
279.23163	1.1
291.23068	0.5
321.27762	0.7
347.47119	0.5
403.35617	21.9
404.35959	1.6
421.36700	100.0
422.37106	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	421.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03936	1.5
55.01858	2.2
55.05500	12.3
57.03432	1.9
57.07069	2.3
65.03916	2.3
67.05161	1.8
67.05498	25.9
69.03415	2.3
69.07059	12.2
71.04988	1.3
71.62695	1.6
75.30083	1.0
79.05486	14.1
81.03397	5.4
81.07045	25.5
83.04951	2.6
83.08612	7.9
88.64598	1.0
91.05465	21.6
92.05801	1.1
93.07029	25.0
95.04952	16.0
95.08591	29.3
97.06509	2.2
97.10146	4.6
103.05430	1.4
105.07014	43.2
107.04935	5.1
107.08576	26.1
109.06487	2.9
109.10143	18.3
110.10522	1.3
111.08044	3.1
115.05440	2.5
117.07010	10.0
119.08563	69.2
120.08903	1.5
121.06492	4.3
121.10126	17.8
123.08031	2.5
123.11684	3.2
125.05953	1.5
125.09587	2.8
128.06197	4.3
129.06987	10.7
130.07738	2.9
131.07571	1.4
131.08553	25.8
133.06505	1.4
133.10114	29.8
135.08014	2.6
135.11671	7.2
137.09630	2.8
137.13290	1.1
139.07521	1.2
141.06982	3.7
142.07770	10.0
143.08539	21.6
144.09361	5.1
145.06425	1.9
145.10103	56.4
146.10536	1.7
147.08055	2.6
147.11661	30.3
149.09674	1.8
149.13240	5.3
151.07471	1.6
153.09122	3.2
155.08507	7.9
156.09334	10.2
157.06418	1.1
157.10110	45.9
158.10844	5.5
159.08060	2.9
159.11671	45.9
159.13004	2.3
160.12100	1.0
161.09569	2.6
161.13229	39.3
161.17308	1.1
162.13539	1.6
163.07512	1.5
163.11176	2.3
163.14795	8.6
165.09042	1.6
167.08600	1.3
169.10150	5.0
170.10881	12.1
171.11644	20.7
172.12447	5.4
173.09616	3.1
173.11787	2.1
173.13222	29.8
174.13606	1.9
175.11177	2.9
175.14815	19.9
177.09071	1.6
177.16356	4.1
179.10693	1.3
181.10147	1.6
183.11659	7.0
184.12341	1.7
185.13225	78.8
186.13724	2.9
187.14795	82.3
188.15190	2.6
189.09039	1.5
189.11307	1.5
189.12788	1.8
189.16353	39.7
190.16721	1.5
193.12271	5.1
195.11691	2.2
197.13229	4.2
199.14789	41.6
200.15138	2.0
201.12749	1.8
201.16335	17.3
203.10632	1.9
203.14348	1.1
203.17924	14.1
207.17369	1.8
209.13248	2.1
211.14841	2.5
213.16339	11.5
215.14288	8.0
215.17900	8.2
217.19460	1.7
219.13841	2.5
223.14783	1.5
225.16376	3.9
227.17946	2.9
229.19449	2.6
231.17406	2.2
231.21042	1.4
235.16908	1.7
237.16382	1.9
239.14265	1.2
239.17929	3.2
241.19531	1.3
247.16934	2.6
251.17938	1.8
253.19446	1.2
259.16891	4.6
261.18457	1.3
263.17938	1.3
267.20984	1.3
273.18481	1.4
279.20801	1.5
299.19934	1.4
301.21606	1.9
305.22263	1.1
311.20044	2.7
312.40466	1.1
329.21027	15.1
347.22275	2.0
350.75345	1.1
375.30368	11.4
403.24664	14.3
403.29568	2.3
404.24619	1.2
421.25714	25.2
421.30920	100.0
422.26208	2.0
422.31259	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	421.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05507	7.4
57.07056	1.5
65.03921	0.8
67.05496	11.5
69.07054	7.2
70.21389	2.5
79.05490	7.2
81.07040	14.9
83.04971	1.0
83.08602	2.9
91.05470	11.7
92.05753	1.0
93.06464	1.3
93.07025	17.0
95.04966	4.1
95.08592	23.5
97.06473	1.6
97.10129	1.8
98.21494	0.9
105.07013	27.8
107.04929	1.1
107.08574	22.0
109.06500	1.8
109.10138	12.6
111.08057	1.4
115.05408	1.6
117.07007	5.3
119.08562	43.6
120.08901	1.4
121.06487	2.6
121.10123	11.0
123.08048	1.0
123.11650	2.6
125.09608	1.7
128.06187	3.1
129.06999	5.1
130.07793	2.2
131.08551	17.6
133.10101	21.1
135.07993	2.2
135.11659	5.8
137.09627	1.1
139.07545	1.5
141.06952	2.3
142.07738	7.7
143.08548	16.0
144.09280	3.1
145.10100	39.6
146.10760	1.3
147.07988	1.9
147.11662	19.3
149.09569	1.0
149.13257	4.3
153.09091	2.2
155.08469	5.1
156.09337	6.3
157.10100	30.3
158.10797	3.7
159.11662	35.8
161.09570	1.4
161.13226	28.3
162.13530	1.4
163.11140	1.0
163.14821	5.7
167.10602	1.4
169.10095	3.6
170.10860	11.0
171.11667	15.2
172.12483	4.3
173.09555	1.2
173.11728	1.9
173.13222	25.0
174.13551	1.2
175.11209	1.3
175.14806	18.0
177.12782	1.1
177.16360	3.8
181.10005	1.3
183.11662	5.6
185.13225	72.7
186.13586	3.4
187.14789	65.1
188.15154	3.2
189.12749	1.6
189.16354	24.1
190.16690	1.7
193.10046	1.0
193.12169	1.5
195.11670	1.9
197.13196	3.7
199.14766	18.6
201.12741	1.4
201.16338	16.1
203.17902	12.0
204.18301	1.4
205.19556	1.3
207.17517	1.1
209.13284	1.7
211.14787	3.6
213.12755	1.0
213.16309	7.0
215.14368	4.9
215.17903	6.7
217.15857	1.2
217.19472	2.6
219.13750	1.5
221.13214	1.1
223.14818	1.2
225.16353	1.5
227.17944	3.1
229.19434	1.9
231.21045	1.5
239.14232	1.0
239.17854	2.2
240.02148	0.9
241.19354	1.0
245.15384	1.3
247.16998	2.3
251.17955	1.1
253.19472	3.0
255.21027	1.5
259.16901	3.3
267.21091	2.1
279.20938	1.5
299.19864	1.7
311.19794	1.2
319.24057	1.4
325.21506	6.2
329.21042	2.3
339.23157	1.1
375.30432	11.7
377.32092	1.3
385.28839	1.2
403.24658	2.0
403.29456	5.8
421.26022	6.0
421.30914	100.0
422.26193	2.0
422.31210	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	421.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01860	1.4
55.05500	11.2
56.96547	1.0
57.03421	1.6
57.07047	3.4
65.03921	2.2
67.05494	24.3
67.71716	1.0
69.03419	1.7
69.06729	1.1
69.07062	10.8
70.06573	1.7
71.04962	2.0
71.62457	1.0
71.62878	1.3
74.74770	1.0
79.05484	14.5
81.03391	3.5
81.07047	27.2
83.04970	2.5
83.08577	4.4
85.02885	2.2
85.06512	1.7
88.07610	2.4
91.05466	19.6
93.07031	24.4
95.04961	10.1
95.08596	40.5
97.06512	3.3
97.10132	3.8
99.08047	2.0
102.09126	1.8
105.07017	28.8
107.04911	2.8
107.08574	30.9
108.08823	1.1
109.06477	4.5
109.09465	1.3
109.10149	20.7
111.08067	4.1
115.05399	2.9
117.06992	6.0
119.08565	49.3
120.08926	2.3
121.06470	4.6
121.09295	1.5
121.10121	19.9
123.08013	2.6
123.11703	4.8
125.06036	1.2
125.09586	1.8
128.06186	5.2
129.06996	10.5
130.07768	1.6
131.08556	19.3
133.10120	23.2
135.08000	2.4
135.11650	11.5
137.09598	1.5
137.13266	1.9
139.07498	1.6
141.06950	4.3
142.07761	14.9
143.08557	24.9
144.09378	5.6
145.06412	2.8
145.10101	37.4
146.10474	1.3
147.04410	6.5
147.08020	3.8
147.11665	21.0
148.04684	3.9
149.09581	1.7
149.13202	8.6
153.09077	3.6
155.08537	8.3
156.09326	16.2
157.10109	43.0
158.10817	4.4
159.08006	5.9
159.11673	34.0
160.11897	1.0
161.09538	3.7
161.13246	12.1
163.11147	1.8
163.14839	7.6
165.09053	2.0
167.08485	1.6
169.10109	5.9
170.10887	14.8
171.11665	29.7
172.12283	2.8
173.09523	2.7
173.11748	2.2
173.13225	33.8
174.13531	1.6
175.11124	2.7
175.14806	13.2
177.09085	1.1
177.12767	1.6
177.16365	7.0
181.10022	2.1
183.11630	6.7
184.07304	1.4
184.12378	2.1
185.13234	98.0
186.13518	4.7
187.11174	2.6
187.14796	43.9
189.11221	1.1
189.12718	4.3
189.16353	29.9
191.07019	5.3
191.14383	2.2
191.17969	5.6
192.07376	4.9
193.04993	1.4
193.12206	2.3
195.11664	1.9
197.09543	1.1
197.13272	5.1
199.11060	1.7
199.14803	29.4
200.15286	1.3
201.12785	2.0
201.16322	13.5
203.14246	2.5
203.17921	15.0
205.19498	3.1
207.11620	1.4
207.17406	6.7
209.13181	2.8
211.14717	3.4
213.16321	5.2
215.14307	19.9
215.17842	4.4
217.15837	1.6
221.13182	1.6
222.13951	1.0
223.14839	2.7
225.16316	1.6
227.17891	3.7
229.15791	2.5
229.19461	3.1
231.21014	2.0
235.16866	2.7
237.16316	1.6
241.19470	1.3
247.16948	5.6
251.17819	2.4
256.26288	3.7
257.26620	3.9
267.20963	1.4
279.20969	3.2
285.67032	1.1
297.21997	1.2
299.19937	1.6
301.21622	1.6
311.20142	1.4
329.21088	7.7
375.26563	1.1
375.30499	9.0
393.31451	1.6
403.24506	5.8
403.29620	3.8
421.25806	15.0
421.30875	100.0
422.31296	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	421.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01861	1.7
55.05502	10.8
56.67315	0.8
57.03424	1.6
57.07079	4.9
58.06567	0.8
59.04993	1.0
65.03931	2.5
65.46967	0.7
67.05497	21.3
68.76604	0.7
69.03417	3.1
69.07059	9.8
69.59138	5.7
70.06586	5.5
71.04976	1.7
71.08614	2.0
77.03873	1.1
79.05481	14.1
81.03416	3.8
81.07047	28.3
83.04937	1.1
83.08601	4.8
85.02892	1.2
85.06519	0.8
88.07619	9.4
91.05467	21.3
93.07030	32.4
95.04956	13.2
95.08595	49.2
96.08936	1.1
97.06512	1.9
97.10136	3.3
102.09161	8.4
103.05434	0.9
105.07018	34.9
107.04920	2.9
107.08584	35.9
108.08918	0.9
109.06517	4.8
109.10144	22.2
111.08061	2.8
113.99476	0.7
115.05418	1.2
117.06996	8.7
119.04949	1.1
119.08561	48.7
120.08849	0.9
121.06477	7.4
121.09303	1.3
121.10128	21.1
123.08083	4.0
123.11684	4.8
125.09583	2.3
127.40717	0.8
128.06216	2.3
128.75856	0.7
129.06989	6.7
130.07770	1.5
131.08549	20.4
133.06458	1.8
133.10109	25.0
135.08046	4.1
135.11679	10.3
137.05927	1.0
137.09560	2.6
139.03799	1.0
139.07521	1.0
139.11122	0.9
141.06947	3.1
142.07771	5.4
143.08562	16.3
144.09262	1.9
145.06441	2.6
145.10110	32.9
146.10474	1.3
147.08022	5.7
147.11670	17.7
149.02327	42.6
149.09584	4.8
149.13255	8.1
153.09058	1.2
154.07716	1.3
155.08527	5.2
156.09322	6.9
157.10103	26.7
158.10760	2.4
159.08046	5.5
159.11670	27.0
160.12013	1.3
161.09625	5.0
161.13248	15.4
163.07462	0.9
163.11140	2.3
163.14804	8.4
165.06946	0.8
167.08633	0.8
167.10649	1.4
169.10120	6.3
170.10870	6.8
171.11662	19.1
172.12312	1.2
173.09590	3.9
173.11745	2.4
173.13214	20.7
175.11127	4.6
175.14818	13.4
177.12688	2.2
177.16377	5.7
181.10103	2.0
182.10881	1.9
183.11668	6.2
185.09644	2.3
185.13229	35.5
186.13603	1.9
187.11160	3.6
187.14798	35.8
188.14958	1.3
189.09146	1.1
189.11166	1.3
189.12712	4.1
189.16354	17.2
191.14238	1.7
191.17885	1.9
193.04947	45.3
193.09898	0.9
193.12222	3.3
195.11609	3.8
197.13272	7.6
199.11160	1.8
199.14795	19.4
201.12590	1.9
201.16333	11.7
203.10590	1.4
203.14424	3.7
203.17937	9.9
205.19542	0.9
207.11711	2.2
207.13664	1.4
209.13261	4.4
211.11307	1.4
211.14832	4.7
212.15509	0.9
213.12721	2.5
213.16348	8.8
214.16974	0.9
215.14308	18.5
215.17833	10.1
217.15923	1.3
217.19508	1.0
219.13811	1.8
221.13304	1.9
221.15346	1.6
223.14926	3.9
225.12721	1.3
225.16321	3.3
227.14281	1.5
227.17810	6.3
229.15871	3.0
229.19475	2.4
231.13792	9.1
233.13220	1.1
235.14815	1.6
237.16304	2.2
239.17900	3.8
241.19366	2.5
243.13680	0.9
243.21120	0.9
245.15358	3.0
247.16887	5.2
251.17863	1.4
253.19461	2.8
255.20874	1.4
256.26309	22.2
259.16937	1.4
261.18555	1.4
263.17920	1.2
265.19467	2.2
267.20963	2.3
268.26489	0.9
279.17841	1.3
279.20975	6.8
281.18707	1.4
285.18320	1.0
297.18591	1.2
297.22037	1.5
299.20135	1.3
305.22641	1.3
307.20477	2.0
311.19992	3.2
325.21567	20.1
326.21783	1.3
327.23093	1.7
329.21109	12.9
330.21448	1.3
347.22186	3.5
351.23019	3.5
375.26074	1.2
375.30429	8.6
385.23737	1.2
385.28613	2.6
391.29797	3.2
393.31757	1.7
403.24637	11.6
403.29877	7.5
404.24863	1.8
421.25690	18.0
421.30878	100.0
422.28876	56.5
446.83136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2579
Annotation	2beta,3alpha-Diacetoxy-11beta,14alpha-dihydroxy-1(15),8(19)-trinervitadiene
Peak:m/z	Relative Intensity
53.03943	3.5
53.36665	1.3
53.36919	1.3
55.01872	4.3
55.05504	16.5
57.03439	8.6
57.92373	1.4
59.04985	2.7
62.35170	1.2
64.09665	1.5
65.03940	3.2
67.05495	64.8
68.05824	1.7
68.33166	1.3
69.03419	7.3
69.07061	15.2
71.04977	3.8
71.62061	1.8
79.05479	28.4
81.03412	20.9
81.07043	36.4
83.04966	8.7
83.08609	12.7
84.08135	1.6
84.38405	1.5
85.02884	3.5
85.06539	4.0
85.88468	1.3
91.05468	35.5
93.07035	30.2
95.04952	37.6
95.08590	33.8
96.05320	1.7
97.02886	2.7
97.06513	12.0
97.10159	8.9
99.08078	1.8
105.07014	29.4
107.04934	16.6
107.08575	21.3
108.08950	1.6
109.06518	9.0
109.10144	40.2
111.04362	1.6
111.08064	5.4
113.80819	1.4
117.07030	11.2
119.04942	2.6
119.08554	28.9
121.06472	15.8
121.10143	17.1
123.04419	2.7
123.08044	5.9
123.11695	1.9
125.09613	6.7
127.03903	1.8
127.11245	1.8
128.06235	1.9
129.05377	1.5
129.06985	11.2
130.07774	1.6
131.04916	2.3
131.08563	18.5
133.06473	4.8
133.10107	17.6
135.04405	2.0
135.08043	6.8
135.11664	6.5
135.84372	1.4
137.05983	2.7
137.09608	7.0
139.07510	1.5
139.11165	1.8
141.06961	3.4
142.07787	3.6
143.08542	10.6
145.02823	1.8
145.06445	3.8
145.10095	23.3
147.04402	2.2
147.07986	7.0
147.11664	11.6
149.09616	6.0
149.13246	4.3
154.07758	1.8
155.08566	3.3
157.10109	14.8
159.08061	4.7
159.11638	10.6
161.09616	5.7
161.13228	6.3
163.03920	9.2
163.11203	8.7
163.14796	2.8
165.01871	1.8
165.09114	4.8
167.07043	2.1
167.08546	3.3
169.10139	7.3
171.08118	3.0
171.10318	2.1
171.11617	12.0
173.02325	1.7
173.09531	3.1
173.11731	8.8
173.13268	7.2
175.11150	6.9
175.14821	3.7
177.12724	5.1
179.03288	1.5
181.10110	3.3
183.02957	1.7
183.11674	8.1
185.09583	4.1
185.13274	5.3
187.11160	4.1
187.14851	11.7
189.09151	3.5
189.11205	5.8
189.12715	3.3
189.16333	2.7
193.12213	12.8
195.11688	4.4
197.13271	2.6
199.11113	3.3
199.14873	3.7
201.12773	2.8
201.16344	8.4
203.10727	3.7
203.12637	2.7
203.14317	2.0
203.18074	1.7
205.12242	5.1
209.13326	4.1
211.14975	3.3
213.12773	3.1
217.12120	2.3
219.11766	2.0
219.13797	1.8
223.13118	2.1
225.16428	2.7
227.14381	1.8
231.13812	3.6
241.19434	2.1
245.15463	2.0
249.14850	5.3
259.09656	11.9
260.09436	1.7
278.12732	1.7
279.15884	1.6
285.07437	1.7
301.21597	5.7
311.20065	9.6
325.21536	12.4
329.21072	51.5
330.21323	2.3
340.15192	2.2
347.22153	8.4
365.22900	1.5
385.23605	4.1
391.29520	2.2
403.13849	4.6
403.24780	43.7
403.29758	7.5
404.25192	1.6
421.25790	100.0
421.30997	37.6
422.26108	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	421.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
54.83576	1.4
55.01849	5.2
55.05259	1.6
55.05505	27.3
55.48217	1.3
57.03442	7.5
57.07055	4.2
59.05005	1.9
65.03920	3.3
67.05494	62.6
69.03407	5.5
69.07056	22.8
69.59076	6.9
69.59484	3.1
71.04977	4.0
71.08605	1.9
79.05044	2.6
79.05480	35.3
81.03403	14.3
81.07048	55.2
83.04968	5.8
83.08611	17.2
85.02845	2.6
85.06554	3.4
88.07610	1.9
91.05464	41.9
93.07032	49.1
95.04957	52.1
95.08595	51.5
97.02844	2.1
97.06507	4.9
97.10163	14.8
99.08057	1.7
102.09167	2.4
103.05448	2.2
105.03365	1.8
105.07018	40.4
105.07735	2.1
107.04939	21.2
107.08579	35.2
109.06502	7.8
109.10139	49.9
111.08075	6.5
115.05423	3.2
117.07020	19.6
119.04934	4.2
119.08564	41.8
121.06488	17.0
121.10124	21.7
123.04390	1.6
123.08012	10.0
123.11665	11.0
125.09599	11.3
128.06216	4.3
129.06976	16.0
130.07767	1.7
131.08554	30.8
133.06456	7.2
133.10112	26.3
135.04366	2.2
135.08012	10.0
135.11655	12.2
137.09604	7.5
137.13234	3.2
139.11101	2.4
141.06970	5.4
142.07748	5.0
143.08537	22.8
145.06459	3.9
145.10100	29.7
146.07315	2.2
147.08017	8.6
147.11691	17.9
149.02319	4.5
149.09602	8.8
149.13214	6.8
155.08510	10.0
155.10614	1.5
157.06485	2.1
157.10097	21.3
158.10895	1.8
159.08061	3.1
159.11665	21.8
161.09598	7.2
161.13239	9.9
163.11192	9.1
163.14848	4.2
165.12758	1.7
167.08582	3.8
168.09401	2.1
169.10100	13.2
170.10953	2.7
171.08046	3.0
171.11671	16.2
173.09618	4.7
173.11705	5.6
173.13274	12.3
175.03807	1.7
175.11113	10.4
175.14784	7.0
177.12752	6.3
177.16360	1.8
181.10127	5.3
183.11626	12.0
185.09648	4.5
185.13245	15.7
187.11162	6.2
187.14783	12.5
189.09070	6.6
189.11191	5.4
189.12787	3.6
189.16341	4.6
191.14343	2.2
192.19312	1.8
193.04944	5.4
193.12202	9.6
195.11702	6.3
197.09628	2.0
197.13168	7.8
199.11128	6.1
199.14760	11.5
201.12788	3.3
201.16342	8.4
203.10680	9.2
203.12622	3.3
203.14307	3.8
203.17935	3.8
205.12273	4.1
205.19528	2.3
208.12332	2.0
209.13274	5.1
211.14803	6.2
213.12790	2.8
213.16380	4.9
215.14307	5.3
215.17845	3.6
217.12251	2.3
217.15892	4.1
217.19586	2.3
219.06511	3.7
219.13744	2.3
220.06830	2.2
222.49521	1.5
223.13232	5.3
223.15028	3.4
225.16362	4.2
227.17949	3.2
229.19507	4.2
229.23512	1.9
231.13847	4.9
237.16461	3.2
239.17809	2.9
241.15923	2.0
241.19589	2.0
245.15414	2.2
249.14865	6.6
253.19493	3.6
255.17451	1.8
256.26370	3.6
267.17746	1.7
269.19125	3.3
279.21115	2.5
281.19107	1.7
281.22592	2.5
283.20657	3.0
285.09973	1.9
291.21158	2.1
295.20557	1.8
301.21588	5.4
309.22137	3.6
311.20068	14.6
311.23471	2.5
325.21606	3.1
329.21054	74.6
330.21506	2.4
347.22168	12.2
365.28473	1.9
367.22659	2.1
375.30447	4.5
377.23242	2.3
385.23798	6.0
403.24805	56.7
403.29431	3.7
403.33728	7.6
404.25095	4.8
421.25879	100.0
421.30325	12.6
421.35300	48.5
422.29849	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1487
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.10529	0.9
53.03937	5.6
55.01860	2.0
55.05503	1.5
56.73823	1.3
57.03424	2.7
57.07049	1.1
63.89327	1.0
67.05490	4.4
69.03428	7.0
69.07064	5.8
71.04986	2.9
71.42934	2.1
73.02888	3.1
79.05490	9.0
81.03409	9.0
81.07042	6.9
82.07355	1.1
83.04959	2.0
85.02899	17.0
85.06538	2.9
91.05460	8.3
93.07050	5.6
94.07443	1.1
94.38949	1.0
95.04963	9.4
95.08585	5.4
97.02879	6.3
97.06515	24.2
99.04423	1.1
103.03934	14.0
103.05432	1.2
105.03378	100.0
105.04510	2.7
105.07015	11.1
106.03695	2.3
107.04904	2.1
107.08576	3.9
109.02848	4.0
109.06482	2.0
109.10153	3.4
111.08099	1.4
115.05452	1.9
117.06988	3.0
119.04953	2.9
119.08575	8.0
121.06473	2.3
121.10123	3.6
123.04424	11.3
123.08059	2.7
123.11691	1.7
125.09627	1.8
127.03914	3.1
128.06229	2.3
129.06992	4.5
131.04930	1.7
131.08549	3.5
133.06438	2.5
133.10109	4.3
135.04390	3.0
135.08015	1.6
135.11667	1.8
137.05971	11.9
137.09595	1.4
143.04846	1.9
143.08542	4.6
144.72748	1.1
145.02855	2.4
145.06447	2.4
145.10104	6.0
147.04411	9.6
147.08002	1.9
147.11690	3.7
149.05974	3.5
149.09615	1.9
151.03883	2.2
151.07539	4.5
152.06190	1.2
153.06979	3.1
157.06483	4.7
157.10126	3.9
159.04436	2.0
159.08093	2.1
159.11653	3.4
160.05118	1.4
161.02316	4.0
161.05931	9.6
161.09657	1.6
161.13228	2.4
163.03899	18.0
163.11093	1.4
165.05461	23.4
167.07019	3.5
167.08461	1.9
169.06465	1.3
169.10143	1.4
171.08035	2.3
171.11639	2.9
173.02321	7.7
173.03616	1.2
173.05977	4.0
173.09502	1.1
173.13191	5.2
174.06786	1.4
175.07541	8.8
175.11139	1.4
177.05469	2.7
179.07013	8.6
181.06438	2.7
183.11731	2.1
185.05978	4.5
185.13164	2.9
187.07484	3.0
187.14806	2.1
189.05423	2.8
189.09109	3.6
189.12769	2.0
191.03362	1.7
191.06985	2.9
195.06548	1.4
199.07535	4.2
199.14738	1.1
201.05434	2.0
201.16258	1.4
203.07057	8.6
203.17807	1.2
207.06564	4.2
213.09116	1.5
215.07034	14.4
217.08690	5.2
221.07988	6.6
227.07063	4.1
229.04941	2.2
233.07999	2.0
241.08546	2.0
243.06459	1.6
243.08652	1.3
245.08057	22.0
249.07491	2.8
259.09628	48.5
260.09906	1.5
263.09119	15.8
267.08591	3.4
281.10211	1.3
287.05508	2.3
288.05981	1.9
289.06030	4.4
342.92279	1.2
378.15277	1.7
385.12820	4.9
403.13553	5.7
403.24515	1.2
421.09048	3.5
421.14648	2.1
421.26114	1.9
421.31458	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	420.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.05496	3.3
57.03415	2.1
57.07057	1.3
57.19701	0.8
67.05486	5.0
69.03410	3.1
69.07049	5.6
69.54969	0.7
71.61832	1.1
73.02884	1.5
79.05492	5.0
80.28082	0.7
81.03401	2.8
81.07045	19.2
83.04977	1.0
83.08591	2.2
85.02895	12.8
85.06476	1.0
85.69277	0.8
89.79160	0.8
91.05455	9.0
93.07034	13.4
95.04961	2.8
95.08595	13.2
96.08909	0.9
97.02888	5.2
97.06510	4.0
97.07068	0.8
97.10139	2.6
99.04507	0.9
102.54462	0.8
105.03353	2.1
105.07014	3.1
106.07377	0.9
107.08597	9.5
109.02833	0.9
109.06488	2.1
109.10138	13.8
115.03911	2.1
117.06949	0.9
119.08543	2.7
120.08110	0.9
120.08884	1.0
121.06439	1.1
121.10134	5.8
123.04398	1.3
123.08063	0.8
123.11687	40.6
124.12090	1.1
127.03897	4.5
127.07542	0.8
129.07005	1.0
131.08551	2.3
133.10101	2.3
135.04439	0.9
135.08058	1.2
135.11673	21.3
137.05920	0.8
137.13231	2.4
141.04781	0.8
145.02768	0.9
145.04962	6.9
145.10106	1.1
147.11674	1.2
149.13234	58.0
150.13638	1.3
159.11694	1.2
161.05977	0.9
163.03929	3.7
163.06007	7.3
163.14877	1.6
167.06989	1.3
171.11641	1.1
173.02411	1.3
205.19484	100.0
206.19742	2.7
215.06984	1.7
223.16847	1.3
223.20404	1.5
259.09689	8.2
329.20969	1.4
348.00409	0.8
351.12689	0.8
402.71463	0.9
403.13535	1.4
420.29257	1.9
421.25784	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01846	0.5
57.03419	1.3
59.04989	0.3
59.44467	0.3
61.02901	1.2
69.03416	3.5
71.01351	0.3
71.04964	0.5
71.60751	0.4
71.61126	0.3
73.02900	1.0
81.03411	1.2
85.02884	6.8
85.06518	0.6
85.62564	0.3
86.03210	0.5
87.04442	0.8
91.05457	2.9
93.07022	4.6
95.04946	1.1
97.02865	3.5
98.97562	0.3
99.04445	0.8
101.00855	1.0
102.37157	0.3
103.05457	2.7
103.07529	0.4
106.72026	0.3
109.02852	0.5
112.05063	1.8
119.01908	2.6
119.04955	0.4
120.01897	0.4
121.06480	100.0
122.06803	2.3
123.04398	0.5
127.03890	2.0
131.01888	0.8
133.03453	1.0
135.04398	0.3
136.07556	0.9
137.02863	0.3
137.05940	0.4
138.09113	38.8
139.02354	0.4
139.09457	0.7
143.01900	1.5
145.03433	1.1
145.04939	2.2
147.03177	0.4
147.04350	1.3
153.05759	0.6
154.08623	0.5
155.01862	1.1
157.03452	1.1
158.04573	0.3
159.05011	0.7
161.02914	1.8
161.06639	0.4
162.06314	0.4
163.03882	1.2
165.05472	0.5
169.03433	0.6
170.06087	0.4
171.04968	0.5
173.02959	1.4
173.06573	0.4
174.03055	0.5
175.04405	0.4
182.08118	1.0
183.04936	0.4
184.05806	0.5
185.02959	0.6
185.06622	0.5
187.04501	0.9
193.06325	0.4
197.03058	0.4
203.02321	0.4
203.04041	0.6
203.07597	0.7
211.04359	0.4
215.07585	0.5
219.01958	1.5
221.04997	1.9
221.09431	0.4
223.06596	1.1
227.07634	0.4
227.57642	0.5
229.00357	0.6
231.03673	0.3
232.10257	0.5
243.01895	0.4
245.05020	1.0
247.01328	0.6
254.56757	0.3
255.02022	0.6
257.05093	0.4
259.06635	1.3
265.07632	1.5
275.06519	0.3
275.09796	0.8
279.09317	0.4
293.10751	0.6
300.60742	0.6
301.61423	0.4
305.02130	0.5
305.10757	1.0
306.10938	0.7
321.10178	1.0
322.10458	0.5
329.02097	0.7
337.09686	0.4
347.03146	0.7
361.04138	0.3
367.10583	0.4
389.03934	0.5
420.08328	0.5
421.10751	1.2
437.76605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.0
55.05505	8.9
57.03431	2.0
57.07059	4.6
67.05494	23.0
69.03418	3.3
69.07056	9.5
69.68417	13.1
73.02935	2.4
79.05482	17.9
81.07047	40.2
83.04972	2.3
83.08600	4.2
85.02884	3.7
91.05474	29.8
93.07030	69.7
95.04961	8.0
95.08591	52.9
97.02866	2.7
97.06524	4.1
97.10125	2.8
105.07014	48.5
105.13361	2.0
107.08578	37.6
109.10138	38.1
110.10493	2.3
111.08052	2.1
113.05988	2.0
115.05438	2.4
117.07001	13.7
119.08564	90.9
121.06549	2.8
121.10125	34.7
123.08060	2.4
123.11700	3.1
128.06229	5.4
129.06979	15.6
131.04922	2.1
131.08560	34.3
133.10109	27.5
135.08075	3.1
135.11673	14.1
141.07001	5.1
142.07761	9.2
143.08539	28.1
144.09280	3.3
145.10101	50.5
147.04329	2.0
147.11681	19.9
149.09528	4.2
149.13228	4.0
155.08525	25.1
156.09267	6.4
157.10103	45.1
159.11662	28.2
160.12083	2.5
161.13257	8.9
163.11108	2.8
165.06889	1.9
167.08499	3.5
169.10097	19.2
170.10939	2.7
171.11647	36.8
173.09586	3.4
173.13205	22.1
175.11246	3.1
175.14775	4.9
177.12808	2.5
181.10086	6.8
183.11652	19.6
184.07298	4.7
185.09648	2.3
185.13239	27.5
187.11192	4.1
187.14778	7.5
191.14368	2.5
193.12196	2.7
195.11641	5.9
197.13235	13.1
199.11185	3.3
199.14827	9.6
201.09125	4.8
201.12720	2.4
203.10645	7.5
203.14354	3.0
205.12239	3.2
209.13203	10.2
211.11304	1.9
211.14807	8.3
213.12729	3.2
213.16380	6.1
215.10715	2.7
217.12178	9.8
219.13678	4.5
221.11649	2.5
223.14799	11.1
225.12686	2.7
225.16348	11.7
229.12094	10.0
231.13792	13.0
237.16373	4.5
243.13770	10.0
245.15315	4.9
249.14824	4.0
251.17876	11.9
255.13792	5.6
257.15454	2.4
261.14899	2.1
269.15375	5.1
269.88910	2.1
279.21030	56.9
280.21310	1.8
281.22586	14.7
297.22073	40.1
307.20468	15.4
325.21573	100.0
326.22031	3.0
343.22614	39.8
360.25491	3.2
405.20920	1.7
420.27344	50.7
420.33173	4.9
421.25748	2.8
421.30780	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	420.222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91740	0.6
51.97803	0.5
52.26207	0.5
52.92350	0.5
54.30856	0.6
55.05491	0.9
57.03416	1.0
58.04648	0.6
61.02909	0.8
65.03902	0.6
67.05511	1.5
68.50734	0.6
69.03424	8.1
69.07049	1.1
70.18251	3.1
71.04970	1.1
73.02891	1.4
79.05467	2.3
81.03377	1.4
81.07043	4.5
83.04978	1.2
83.08577	1.1
85.02889	3.1
85.06519	1.8
87.04452	0.7
91.05453	2.8
93.07044	5.2
95.04971	3.9
95.08593	6.5
97.02878	18.5
97.06490	2.4
98.03241	0.7
99.04427	1.4
105.03391	1.2
105.07021	4.1
107.04912	1.4
107.08565	3.5
108.08877	0.6
109.02852	0.9
109.06481	3.3
109.10137	2.3
111.04432	1.3
111.08045	1.8
117.07005	1.8
119.08544	2.0
121.06514	1.1
121.10120	6.2
123.04408	8.1
123.08058	4.9
125.05984	1.4
125.09602	1.6
127.03928	1.1
129.06999	1.3
130.07747	0.7
131.08551	0.8
133.10106	1.1
135.08034	0.9
135.11667	3.7
137.05959	1.3
137.09589	3.0
139.07506	0.8
139.11157	2.7
140.04655	1.2
145.06493	3.5
145.10095	3.8
147.04329	1.1
147.08032	0.9
147.11673	1.2
151.03906	0.6
153.05466	0.8
153.12746	1.6
154.04944	1.3
155.07047	1.5
157.06386	0.8
159.08011	2.4
159.11691	0.8
160.08427	0.8
161.09555	0.8
163.03827	0.9
163.11197	4.4
165.09071	7.1
167.07013	8.6
168.07399	2.3
169.07588	0.8
170.94290	0.6
173.05946	4.0
177.12587	0.9
181.08577	1.7
181.12207	22.0
182.12527	1.0
183.06499	6.9
184.07152	2.4
187.07498	1.6
188.07826	1.3
189.09012	1.2
190.06238	1.5
202.06133	1.3
203.06915	3.6
205.08504	3.4
205.12164	1.5
209.15192	0.8
210.08876	1.2
217.08559	9.4
218.09183	1.8
219.10161	1.2
220.10616	1.0
223.13257	100.0
224.13652	2.6
233.08066	2.2
241.14311	2.8
241.17952	0.9
245.07999	0.8
248.10355	1.9
249.11139	6.2
250.11513	4.5
263.06970	0.8
264.07825	1.0
265.08109	0.8
278.09128	0.8
279.10275	1.1
288.05829	2.1
307.09622	1.8
315.08582	1.4
316.08908	2.3
328.12775	0.7
330.11005	1.0
331.11279	2.5
339.12137	1.1
344.12311	0.7
350.92081	0.7
370.13730	1.8
371.10727	0.9
371.14877	3.7
384.15283	1.3
385.12823	2.7
387.14264	0.8
402.16293	5.3
403.14124	0.9
420.16629	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01564	0.6
51.02368	0.7
52.64115	0.5
53.03937	4.1
54.41906	0.5
55.01877	0.5
55.05492	0.8
57.03427	2.4
60.47349	0.4
61.02900	1.5
67.05491	0.7
69.03072	0.7
69.03417	10.7
69.70242	1.6
69.70668	1.9
70.06583	2.1
71.04971	2.2
73.02928	2.4
77.03923	0.7
79.05476	7.1
81.02969	1.0
81.03407	10.8
81.07053	0.5
83.04965	2.1
85.02893	17.4
85.06525	0.6
87.04438	1.2
91.05457	1.7
93.07040	0.8
95.04955	4.5
95.08595	0.8
96.04463	0.7
97.02879	9.8
99.04453	3.0
101.06003	3.2
105.03374	100.0
105.07010	1.0
106.02888	1.8
106.03717	1.8
107.04941	0.9
107.08533	1.4
109.02148	0.5
109.02853	7.9
109.06487	0.9
109.10142	0.6
111.08102	0.7
112.07574	1.2
115.03911	4.7
119.08514	0.8
121.02840	0.6
121.06494	0.8
121.10131	0.7
123.04406	18.3
123.08038	1.2
124.03941	2.6
124.04687	0.5
127.03898	9.3
133.04948	3.4
133.06462	0.6
133.10193	0.7
135.08070	0.6
135.11670	1.2
137.05951	0.9
137.09612	0.7
140.07024	1.1
145.04951	3.6
150.07622	0.6
158.08073	0.7
159.11694	0.9
160.41798	0.6
161.09599	0.6
163.11136	0.7
165.05464	1.0
167.07005	2.0
177.12767	2.0
179.10645	2.0
181.08585	1.0
193.12173	0.6
195.13795	1.2
205.12244	1.5
223.13235	3.9
231.06516	3.4
233.20911	0.5
240.15909	0.6
241.10666	0.9
241.14330	2.1
249.07521	16.2
250.07381	1.0
258.16727	0.8
267.08594	45.2
268.08807	2.4
287.05527	0.9
288.05756	4.4
331.11252	1.7
339.83478	0.5
347.02200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44241	0.5
57.03431	18.4
61.02924	6.3
64.59437	0.6
65.03953	0.8
67.45003	0.5
69.03421	14.9
69.83734	2.4
69.84142	1.7
69.96287	0.6
71.01343	1.8
71.23734	0.5
73.02911	43.0
75.45782	0.6
81.03416	1.6
85.02895	28.7
87.04461	1.9
91.05471	100.0
92.05791	2.7
97.02881	43.0
98.03243	1.0
99.04449	1.7
103.03917	0.6
105.07037	1.6
109.02902	2.1
115.03915	31.8
117.07037	1.3
127.03895	8.8
129.06996	2.1
131.08614	0.8
132.06586	1.6
133.04953	8.4
133.06506	2.6
143.08548	0.7
144.06554	1.1
145.04939	10.5
145.06483	1.2
150.07613	4.4
157.06444	1.5
161.04437	4.9
162.07591	0.7
163.05986	6.3
171.08061	2.2
175.07562	0.9
180.08662	0.7
187.07466	1.1
193.04938	0.7
205.08612	1.9
217.08594	4.6
223.06000	3.4
235.09636	2.6
241.07027	3.8
253.10663	5.6
259.08197	3.3
271.11862	1.3
288.14447	0.9
295.10150	4.7
348.33145	0.6
404.10428	0.6
430.44247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01871	0.7
56.52190	0.5
57.03418	1.8
58.30316	0.5
59.04976	1.0
61.02910	1.6
67.05488	0.9
69.03419	7.8
69.53310	3.2
69.53730	1.1
69.87073	0.5
71.04977	1.0
72.08122	0.5
73.02895	1.2
79.05477	7.8
81.02972	0.8
81.03407	9.1
81.07046	1.2
83.04978	1.0
85.02891	15.2
85.06523	0.8
91.05463	1.8
92.39524	0.5
93.07020	1.2
95.04964	5.0
95.08593	2.0
97.02878	6.2
97.68228	0.6
98.20712	0.6
99.04444	1.8
101.06022	1.0
102.38511	0.5
105.03375	100.0
105.07024	1.3
106.03707	3.1
107.04906	1.5
107.08561	1.3
108.77091	0.5
109.02857	5.9
109.06505	1.0
109.10143	0.8
119.07052	1.1
119.08537	1.2
121.02866	1.7
121.10138	2.0
123.04407	21.4
123.08035	3.0
124.04769	0.7
127.03898	7.7
133.04991	0.8
133.10118	0.6
135.08049	1.1
136.12016	1.0
137.08058	1.5
137.09573	0.9
145.04889	2.7
145.10094	0.8
161.09589	1.0
163.11203	1.3
165.05516	0.8
165.09076	1.4
167.07005	1.0
175.11259	0.6
177.12674	0.7
179.10634	1.0
193.12209	2.3
205.12318	1.7
223.13269	7.6
231.06444	2.8
241.14291	0.8
246.83115	0.6
249.07533	11.9
250.11424	0.5
267.08591	47.8
268.08969	2.1
287.05365	5.0
288.05798	14.0
289.06149	1.1
299.05560	0.6
300.05862	2.4
314.07550	0.7
320.96921	0.6
326.07568	0.8
329.06616	0.8
330.06799	1.7
338.07407	0.9
354.06967	1.8
366.06891	0.6
367.14023	0.7
379.85736	0.5
384.07996	3.5
402.09003	1.8
420.10010	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	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50765	0.7
53.03936	2.7
55.01867	1.0
57.03430	3.2
69.03426	12.8
69.62631	5.1
70.06566	0.9
71.01340	0.9
71.04980	2.0
73.02913	1.4
78.03457	9.0
80.05021	2.0
81.03414	16.2
83.42189	0.8
84.04436	0.8
84.08150	1.2
85.02902	10.4
91.05485	1.2
95.04959	1.2
96.04492	4.8
97.02879	6.8
98.97572	0.8
99.04447	3.2
103.05463	0.8
105.07038	6.3
106.02914	44.3
107.04963	0.9
109.02882	9.2
115.05437	1.5
116.07156	0.7
117.05487	1.6
119.04939	0.9
121.02870	3.6
122.03196	1.4
123.04433	1.9
124.03949	100.0
125.04326	1.8
125.31418	0.8
127.02181	1.3
127.03905	7.5
133.06497	8.6
135.06532	1.1
136.03947	5.4
138.05507	0.9
139.03979	0.8
140.03410	0.8
145.04915	1.4
145.06444	1.1
147.04419	3.0
153.07547	1.7
154.04991	1.2
161.05983	16.5
166.04993	1.0
167.07031	5.0
170.06291	1.2
175.05992	0.8
193.08609	12.8
201.05475	0.9
205.08609	1.2
207.06555	2.0
219.06514	1.0
223.00623	4.5
231.06580	0.8
232.06015	2.7
233.04430	1.5
233.08160	0.8
234.98964	1.1
241.01570	0.8
249.07649	0.9
250.07108	13.9
251.09135	6.3
258.09747	2.0
259.06094	1.2
260.06732	0.8
261.07626	2.4
268.08154	66.7
269.08453	1.7
273.08990	2.1
280.21774	0.8
289.07068	1.2
298.09198	1.1
307.08096	1.8
319.08200	0.8
367.10043	1.2
372.69714	0.8
385.11188	4.8
392.36450	0.8
420.15283	18.2
421.15335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39802	0.4
55.01861	0.8
57.07044	0.8
60.04901	0.4
62.45255	0.4
67.05476	0.7
71.08620	0.5
81.07043	0.5
89.45021	0.4
91.05416	0.6
91.62749	0.4
99.00776	0.6
99.04446	3.6
111.04414	3.0
125.05974	11.5
141.05417	4.2
149.02231	0.5
153.05444	100.0
153.67796	0.4
154.05833	1.5
167.07018	0.7
177.03365	0.4
195.90967	0.5
215.28745	0.5
241.99095	0.4
419.35135	42.1
420.35620	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51907	0.4
53.03921	0.8
55.01848	0.8
55.37299	0.4
57.03411	1.7
61.02901	1.7
69.03417	4.2
70.12507	1.8
71.04971	1.5
73.02903	0.7
81.03401	2.4
84.04489	0.9
84.08093	0.4
85.02891	18.2
87.04443	0.8
91.03926	0.9
91.05431	0.8
94.54201	0.4
95.04968	0.5
97.02872	4.6
98.20829	0.8
98.97552	0.4
99.04424	1.6
107.04945	2.1
108.08050	0.7
109.02853	2.0
109.06475	0.5
114.03693	0.7
116.01633	0.7
117.13902	0.4
121.01086	0.9
121.02843	4.0
122.03197	1.1
122.28032	0.4
123.04395	1.0
123.08035	0.4
127.02085	1.5
127.03889	3.7
135.08043	0.5
135.11674	0.5
136.07562	0.6
137.05972	0.6
139.02081	0.9
139.03879	0.6
145.04930	3.5
147.04378	1.2
149.00536	11.4
149.02351	0.6
150.03105	0.9
150.09099	0.5
151.02092	1.6
151.03925	0.8
163.03923	0.6
164.07010	0.5
167.01628	3.1
170.06277	1.8
175.11008	0.5
177.00012	7.8
178.08522	1.0
182.08095	1.0
193.08549	0.4
195.01077	8.4
223.00558	100.0
223.13240	1.8
224.00955	2.8
224.09200	0.6
234.99141	0.5
241.01619	36.9
242.01817	0.6
244.07079	0.5
258.04318	1.7
259.02704	1.7
273.09012	3.1
363.82297	0.4
402.14017	1.0
420.09299	0.7
420.15204	1.6
433.37674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	5.7
69.07038	5.1
69.29124	56.7
71.04977	15.1
79.05460	15.5
81.07044	76.1
91.05445	5.5
93.06995	22.7
95.08588	22.4
97.46680	5.1
99.57121	4.7
101.42719	4.2
105.07001	21.3
107.08572	38.4
109.06465	5.5
109.10152	22.8
119.08560	32.5
121.10065	5.5
122.01560	4.3
123.11668	17.1
127.11160	15.4
129.52548	4.5
133.10101	31.9
135.11656	100.0
137.13234	9.1
143.10637	19.7
147.11658	24.6
153.12738	5.8
161.13185	14.4
167.06950	6.1
170.36058	4.9
170.96124	5.1
203.17946	52.8
221.18973	87.1
239.19943	8.8
271.05988	6.2
272.06351	9.5
273.06451	14.0
424.53860	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	419.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01853	4.2
55.05490	8.7
55.85436	1.8
56.53676	1.7
57.07064	2.3
59.04982	2.5
67.05481	7.1
69.03420	2.8
69.07062	8.7
70.49325	6.2
71.04982	16.7
79.05479	21.6
81.07041	80.4
82.07369	2.5
83.04971	2.7
83.08612	4.5
85.02878	5.2
85.06506	2.9
91.05447	9.4
93.07024	26.6
95.04922	3.5
95.08588	23.9
97.02843	2.9
97.06504	5.5
97.10151	3.0
99.08041	4.2
103.05432	1.8
105.07023	19.6
107.08578	46.5
109.06513	1.9
109.10139	24.4
111.08059	2.5
115.07519	2.1
119.08550	34.6
121.10098	8.5
121.76294	1.8
123.11661	15.1
125.09600	8.4
127.11172	16.8
129.06981	2.2
131.08502	2.3
133.10103	31.8
135.11667	100.0
137.09534	2.2
137.13234	8.9
139.11143	2.9
143.10637	24.5
145.10095	3.7
147.11667	20.1
149.13242	5.1
153.12680	2.7
159.11627	2.6
161.13208	12.4
163.14799	6.6
167.07002	10.6
170.94296	1.7
177.05411	3.7
177.16359	2.8
181.04898	7.7
191.06993	7.9
203.17914	56.2
204.18257	2.9
209.08049	5.0
221.18954	67.4
222.19208	3.0
239.19978	13.5
247.29401	1.9
249.11156	2.6
252.13339	2.2
287.05472	20.1
312.48892	1.8
315.08630	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
54.96648	2.7
55.01854	4.6
55.05504	3.7
57.03415	7.0
67.05486	7.1
69.03412	11.0
69.07051	4.5
70.06590	5.7
71.04962	12.4
71.62688	3.4
73.02889	2.8
79.05474	21.0
81.03394	11.6
81.07034	11.7
83.04945	5.3
83.08571	2.6
85.02877	11.4
85.06544	3.0
91.05429	14.9
93.07034	6.9
95.01302	3.4
95.04941	11.2
95.08591	4.5
97.02864	8.9
97.06518	2.8
99.04450	14.9
100.04729	2.7
102.09167	5.3
103.05439	15.4
105.03374	34.4
105.07008	70.0
107.04919	12.8
107.08584	7.9
109.02837	8.8
109.06523	2.8
109.09448	2.7
109.10135	29.5
110.06010	21.1
111.05673	2.3
111.06361	10.2
111.08016	3.4
113.15706	2.3
115.03899	2.4
115.05441	13.8
117.06995	3.7
118.04105	7.2
119.04929	8.7
119.08544	6.1
121.02837	17.2
121.06497	2.6
121.10110	7.3
123.04397	18.5
123.08064	4.0
123.11671	5.4
124.03880	4.2
125.09615	3.0
127.03873	7.2
131.04895	7.6
131.08565	3.6
133.06462	52.9
133.10085	3.5
135.04686	4.3
135.08009	7.5
135.11700	3.0
137.05957	3.3
139.03867	9.9
143.06058	4.3
145.04941	4.3
145.06451	7.3
145.10069	3.9
147.04379	19.5
147.08008	3.2
147.11682	3.0
148.04691	14.8
148.11940	3.0
149.05959	2.5
151.03918	2.4
151.11125	13.4
153.01755	4.8
153.05658	4.4
156.05603	3.7
159.07982	6.8
161.05954	97.5
163.03848	4.7
163.07553	4.3
163.11154	2.8
164.04247	4.6
167.07011	42.8
168.07291	11.9
169.07587	4.5
169.12212	4.4
173.06000	4.5
174.06242	3.0
177.05446	3.6
179.10545	3.2
181.04860	6.0
181.08571	4.5
190.06267	3.5
191.06967	19.2
193.08556	74.1
193.12184	4.6
194.08879	3.2
195.13795	3.5
205.08553	9.1
208.05013	3.2
208.14085	3.7
209.08020	3.0
217.08542	10.0
221.11635	3.2
222.11960	7.1
223.13300	11.7
239.12837	4.8
240.13098	4.5
241.14392	3.3
247.09709	5.2
249.07430	5.8
250.07092	3.4
254.05692	4.0
267.08615	19.7
269.08066	6.0
282.05267	2.7
287.05447	100.0
288.05756	5.6
315.08582	32.9
323.12717	3.2
330.10873	44.1
331.11401	3.4
343.11670	4.7
344.12769	3.5
351.12134	6.1
369.13217	5.0
383.14789	9.9
401.15884	7.9
419.09680	3.6
419.15491	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2632
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
55.01860	2.7
55.05489	6.9
57.03414	2.3
57.07051	2.2
67.05483	6.5
68.49228	2.3
69.07047	9.6
69.47015	19.7
69.47363	2.9
71.04977	13.2
79.05477	23.3
81.07043	79.6
83.08588	3.4
85.02864	5.1
91.05457	7.9
93.07024	28.0
95.08585	21.7
97.02821	2.4
97.06503	3.5
97.10135	2.5
99.08050	3.3
105.07018	18.7
107.08575	46.1
107.95603	2.3
109.10133	23.6
111.08023	2.5
119.08556	33.8
121.10138	7.9
123.11696	18.2
125.09592	9.3
127.11156	12.0
133.10117	33.8
135.11667	100.0
137.13232	6.8
139.11182	3.8
141.08791	2.4
143.10635	22.2
145.10118	4.3
147.11685	15.9
149.13219	3.4
151.11159	2.4
153.12747	2.8
159.11563	3.1
161.13193	16.4
163.14784	4.9
165.12772	2.9
167.06985	7.7
181.04904	3.0
191.07068	5.4
203.17923	54.8
209.08147	3.0
221.18967	68.5
222.19293	4.5
239.20039	6.4
249.11253	2.2
287.05322	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	419.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.4
53.03924	1.6
55.01855	1.3
55.05500	3.8
57.03414	1.1
57.07047	1.2
59.04994	2.4
59.05237	0.4
61.02914	0.8
65.03909	0.5
67.05491	3.5
69.03419	3.3
69.07059	3.5
71.04980	16.4
71.61975	0.4
73.02907	0.9
73.06541	4.7
77.03914	0.5
79.05056	0.7
79.05481	9.5
81.03389	1.9
81.07043	35.3
82.07351	0.7
82.78389	0.5
83.04962	1.5
83.08598	1.9
85.02425	0.6
85.02893	8.9
85.06514	1.3
87.00802	2.9
87.81014	0.4
91.05468	4.1
93.07027	19.7
94.07340	0.7
95.04946	1.9
95.08031	0.8
95.08592	8.7
97.02872	2.4
97.06521	2.3
97.10156	0.8
99.04436	0.9
99.08080	1.1
103.05464	0.5
105.01849	3.5
105.03388	2.5
105.07008	8.1
106.03671	0.6
107.08576	19.8
109.02843	1.4
109.06478	1.1
109.09442	0.8
109.10136	8.4
111.04420	0.5
111.08037	1.0
115.05457	0.5
117.06988	1.4
119.08562	10.8
121.06552	0.7
121.10116	3.1
123.04400	1.7
123.08071	0.6
123.11690	4.3
125.09611	2.4
127.03886	3.3
127.11167	3.2
131.08549	1.4
133.06517	0.7
133.10103	7.3
135.11670	41.4
136.12035	1.3
137.05994	0.7
137.09619	0.6
137.13245	1.4
139.03931	1.0
139.11165	1.1
143.08464	0.5
143.10632	3.4
145.04947	1.8
145.06412	0.6
145.10080	1.4
147.04314	0.5
147.11665	5.3
149.13242	1.3
151.03871	0.6
151.11171	0.7
153.12718	100.0
154.13020	3.9
159.08023	0.7
159.11658	0.9
161.05843	0.7
161.09676	0.5
161.13210	2.6
163.03851	0.8
163.14851	0.7
165.12766	0.6
167.06998	5.7
168.07373	2.2
169.07533	1.6
175.14755	0.7
177.05473	0.6
177.16240	0.5
181.04974	1.3
182.05341	0.7
183.06593	0.6
187.07487	0.8
193.08568	0.5
203.17934	8.7
209.08035	0.6
217.08621	0.7
219.08066	0.4
219.10168	0.4
221.08061	0.4
221.18948	5.6
239.16350	0.6
239.20018	1.2
241.08469	0.6
249.11090	2.3
250.07916	0.7
257.21295	0.5
268.08810	0.7
270.83368	0.4
273.71344	0.4
287.05450	10.9
288.05792	0.8
389.15173	1.0
401.15866	1.9
419.16174	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	419.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.7
53.03947	3.9
55.01859	0.9
57.03423	3.2
61.02910	1.2
69.03068	0.8
69.03424	10.6
70.58939	1.2
71.04982	0.7
73.02908	1.8
79.05493	7.7
81.03413	8.2
85.02899	17.7
91.05474	6.2
95.04967	6.0
95.08575	0.6
97.02892	6.4
99.04457	1.9
105.03384	100.0
106.03729	1.6
107.08585	0.6
109.02880	5.6
115.03946	0.5
117.05507	1.3
123.04423	19.1
123.11720	1.0
127.03911	7.9
133.05006	0.9
135.04378	0.9
135.06575	1.2
145.04915	3.2
147.04407	0.7
153.07568	2.2
163.06020	0.9
167.07056	1.0
189.43814	0.5
192.87447	0.5
231.06464	2.7
249.07576	8.6
251.25047	0.7
267.08612	26.5
268.08884	0.7
324.27371	0.5
330.10867	0.5
340.61554	0.6
348.37613	0.6
371.54398	0.5
419.13873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1695
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
52.34316	1.5
55.01859	1.4
55.48447	1.0
57.03415	2.3
61.02902	1.3
65.03908	1.1
67.05502	1.8
68.03175	1.0
68.99767	1.3
69.03432	1.1
69.07067	1.3
70.88996	1.3
70.89330	2.2
71.04983	1.4
73.02899	5.5
79.05483	6.5
81.03397	4.0
81.07048	3.6
83.04959	1.3
85.02890	4.2
91.05482	3.6
93.07030	2.5
95.04926	3.2
95.08587	3.1
97.02868	2.5
99.04440	1.1
105.03367	3.6
105.06999	3.1
105.56488	1.1
106.03685	1.7
107.04946	10.6
108.87208	1.0
109.02856	1.4
109.10122	2.1
111.08118	1.5
115.03890	1.5
115.05396	2.3
117.06992	3.3
119.08546	1.8
121.02845	2.9
123.04416	4.5
123.11674	1.3
124.05209	1.3
125.05961	1.6
125.09604	1.3
127.03869	1.4
128.06197	1.3
129.07004	2.1
131.04942	1.5
131.08537	3.8
133.02824	1.1
133.10054	1.6
136.55331	1.0
137.02321	1.4
137.05988	1.3
139.03854	3.2
141.06929	1.3
144.05681	2.7
145.06459	6.3
147.04388	3.2
151.03883	1.4
152.04680	2.0
153.01830	3.8
153.05412	1.4
156.05710	4.6
157.06459	2.4
159.08067	6.4
161.05995	2.3
163.03862	3.9
165.01903	1.8
167.07014	46.7
168.07341	2.6
173.05948	7.5
175.07613	1.6
177.05389	1.1
181.04976	2.8
181.08656	1.2
182.05341	1.1
183.06532	1.3
184.05173	1.5
187.07509	4.2
190.06157	3.9
191.07076	1.1
193.06512	1.1
195.06448	1.4
202.06206	2.1
203.06902	1.1
205.08528	11.1
207.06421	2.1
208.05156	12.0
209.08014	2.2
211.07407	1.2
213.05469	1.1
215.07021	1.1
217.08568	12.6
219.08107	2.0
219.10132	3.3
220.08749	1.5
221.05869	2.2
226.06456	1.7
231.08110	1.9
231.10126	2.0
235.09601	1.8
236.04642	6.8
238.06233	1.7
239.20035	2.7
240.04213	2.5
247.07455	3.3
247.09621	9.2
248.08235	2.0
254.05724	7.0
255.06343	1.4
255.73627	1.0
257.21051	1.6
263.06885	1.5
263.10635	2.4
264.04199	1.3
264.07739	2.2
265.08313	1.5
265.10806	1.5
267.06381	2.0
268.03680	1.0
268.08643	1.4
269.08035	18.1
271.06058	1.7
271.09543	2.6
272.06805	3.2
275.06940	2.0
276.07678	1.7
277.08539	2.4
279.10147	2.5
282.05206	2.8
282.08844	6.5
285.07623	1.5
287.05463	100.0
288.05731	5.2
291.10156	4.4
293.08121	2.5
297.07367	1.6
299.08890	1.9
300.06180	2.8
300.09698	1.2
301.07086	3.3
307.09552	2.5
308.10382	1.2
310.08340	3.5
315.08578	69.9
316.09015	2.1
319.09549	3.0
321.11047	1.4
323.12677	3.7
324.09576	1.5
328.09430	2.5
330.10919	96.7
331.11417	7.9
337.10699	2.0
339.12222	3.9
343.11682	7.8
351.12326	9.1
352.12976	2.2
353.10165	1.5
368.12469	1.4
369.13242	6.7
371.14850	1.7
383.14813	13.7
401.16010	11.2
419.17035	2.2
419.22910	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.05477	0.4
57.03402	0.5
57.66982	0.3
59.12844	0.3
61.02923	0.4
65.03930	1.4
69.03419	2.7
69.90989	1.9
71.01343	0.3
71.04969	0.8
71.34892	0.3
81.02953	0.5
81.03401	4.6
83.04970	0.8
85.02892	5.2
95.04942	5.9
97.02878	2.2
99.04427	0.6
101.06012	1.7
107.06878	0.3
109.02863	2.6
111.04420	1.8
121.02846	100.0
122.03157	1.6
127.03859	2.0
130.40219	0.3
137.08066	1.2
139.03879	18.1
142.55461	0.3
145.04942	0.7
163.03914	0.5
177.09082	0.7
199.78603	0.3
223.00650	0.4
247.06097	0.6
265.07022	6.8
266.07318	0.4
283.08069	17.8
284.08542	0.5
365.24060	0.3
415.51022	0.4
432.18152	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16483	0.5
51.02369	0.6
53.03941	3.2
54.11711	0.5
57.03421	2.9
57.38800	0.7
61.02911	0.8
69.03426	10.6
70.74692	2.2
71.04964	1.0
73.02908	1.4
77.03903	0.9
79.05485	9.1
80.87645	0.6
81.03407	8.1
85.02415	1.3
85.02898	15.6
86.02065	0.8
91.05465	2.7
93.07065	0.7
95.04961	4.4
97.02888	4.5
97.91599	0.6
99.04433	2.9
105.03381	100.0
106.03690	1.6
109.02882	5.4
115.03964	0.8
116.51390	0.6
116.62846	0.6
117.05470	0.7
121.02815	1.0
123.04420	21.4
123.08065	0.9
126.43259	0.7
127.03905	8.0
129.06905	0.7
131.08521	0.8
133.04933	0.8
135.06477	2.0
145.04962	2.7
153.07549	2.4
157.06526	0.9
167.07069	1.8
183.06551	0.8
184.51237	0.7
202.13608	0.6
217.08380	0.8
231.06500	1.6
249.07553	9.4
249.11232	2.6
267.08609	27.1
287.05692	0.7
294.33142	0.7
401.15628	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01857	0.7
55.05505	0.4
55.74640	0.4
57.03420	1.8
59.04999	0.6
61.02909	0.5
64.22005	0.4
65.03923	1.6
69.03419	4.6
71.04998	0.6
71.19284	0.5
71.19630	0.8
73.02911	0.8
75.46438	0.4
79.05463	1.9
81.03410	5.5
83.04984	0.5
85.02407	0.7
85.02897	8.1
91.05478	3.4
95.04955	8.2
97.02876	4.3
99.04443	1.0
101.05988	0.5
105.03384	19.9
105.06976	0.5
107.08570	0.4
109.02877	2.3
111.04401	1.9
121.02855	100.0
122.03177	1.7
123.04439	5.0
123.11690	0.4
127.03911	2.8
133.06485	0.7
137.05975	1.5
137.08040	0.4
139.03888	16.8
145.04961	1.4
153.07597	0.5
167.07072	0.7
228.12784	0.6
231.06516	0.5
239.12616	0.5
239.16292	0.4
247.06232	0.6
249.07675	1.9
249.11234	0.6
256.12100	0.5
257.12820	1.9
260.47083	0.5
265.07074	4.2
267.08624	4.9
283.08090	16.3
284.08524	0.8
287.05429	0.9
419.13269	1.0
419.17999	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60739	0.3
56.26437	0.3
57.03431	6.7
61.02918	1.8
68.99791	0.7
71.06161	0.9
73.02909	13.8
107.04938	0.8
109.02885	0.5
115.03913	1.3
121.02865	2.5
123.04480	0.4
133.02863	0.5
137.02315	0.6
139.03885	0.5
147.04391	0.4
153.01837	3.6
154.25659	0.4
157.06444	0.4
163.03874	0.4
165.01845	1.4
167.06990	1.1
183.02870	0.7
185.05945	0.5
213.05444	1.4
231.06621	0.8
241.05017	0.7
249.11205	1.5
258.05280	1.0
287.05469	100.0
288.05905	3.1
401.15958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0963
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.50176	0.3
55.01858	1.6
57.03429	3.1
59.04975	0.3
61.02913	0.7
64.76863	0.3
68.99780	0.6
69.03402	1.2
69.76729	2.0
71.01330	0.8
73.02902	1.8
85.02892	2.4
87.04433	0.3
90.51572	0.3
95.93072	0.2
97.02866	0.8
98.20796	0.4
105.03401	0.3
107.04931	0.6
111.00809	0.5
115.03902	1.5
121.02847	2.9
133.02841	0.5
133.04948	1.6
137.02321	1.1
139.78641	0.3
147.04358	0.6
153.01793	3.7
157.06442	0.4
161.06041	0.3
165.01811	2.0
183.02873	0.7
185.05901	0.4
189.05382	0.3
203.07143	0.3
213.05431	1.2
231.06577	0.7
241.04984	0.8
258.05188	1.1
259.05920	0.5
287.05450	100.0
288.05823	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	419.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68708	0.2
53.03957	0.2
55.01860	0.3
57.03427	6.2
61.02919	1.8
61.98025	0.2
65.03889	0.2
65.47823	0.2
68.99779	0.4
69.03400	0.7
69.07057	0.3
69.31264	0.5
69.31674	1.4
71.01345	0.2
73.02908	12.9
79.05492	0.4
81.03400	0.2
81.07038	0.2
85.02878	0.5
93.07008	0.2
93.22218	0.2
95.04951	0.4
95.08586	0.3
97.02851	0.2
98.20717	0.4
102.11974	0.2
105.03359	0.6
105.06975	0.3
107.04939	0.8
107.08546	0.3
109.02867	0.5
111.00805	0.6
115.03900	1.4
121.02835	3.2
123.04408	0.6
125.09596	0.3
127.03883	0.3
133.02812	0.5
135.07980	0.2
137.02310	0.7
139.03847	0.2
144.05583	0.3
145.06497	0.5
147.04375	0.6
153.01804	3.5
157.06451	0.3
159.08044	0.2
161.05940	0.2
165.01811	1.5
167.07043	1.0
168.07347	0.2
169.07492	0.2
173.05943	0.3
181.04941	0.6
183.02937	0.9
185.05908	0.5
198.07442	0.4
203.07036	0.2
205.08519	0.4
209.08121	0.2
213.05447	1.0
217.08626	0.4
217.92854	0.2
225.06581	0.3
226.06940	0.5
230.06311	0.3
231.06519	0.7
239.16362	0.2
240.08447	0.2
241.04953	0.9
258.05331	0.9
259.05930	0.5
269.04428	0.5
272.07462	0.3
278.06491	0.3
286.04416	0.2
286.09082	0.3
287.05453	100.0
288.05807	4.0
296.07422	0.3
299.05591	1.4
300.06216	0.3
311.05508	0.3
314.08514	0.6
315.08514	0.7
329.06586	1.0
329.09973	0.2
330.10934	1.2
332.09396	0.3
337.06793	0.3
353.06363	0.4
359.10526	0.5
365.06332	0.2
369.13385	0.3
383.07434	0.9
383.15128	0.2
401.11893	0.5
401.15887	0.4
419.08701	0.3
419.13321	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.4
55.01869	1.1
55.05499	6.6
57.03427	2.0
57.07075	1.2
59.67754	0.7
61.02915	2.7
67.05490	15.0
69.03416	5.6
69.07047	7.4
69.80910	0.8
70.81086	2.7
79.05479	10.9
79.87109	0.7
81.03414	2.6
81.07047	42.9
82.07403	1.0
83.08598	3.8
85.02505	0.5
85.02890	22.3
91.05466	10.8
93.07031	28.2
93.07616	1.4
95.04957	2.8
95.08594	53.4
96.08932	1.5
97.02865	7.1
97.06491	1.4
97.10146	1.6
99.04398	1.2
102.35480	0.7
102.36189	0.9
102.67683	0.9
104.52866	0.8
105.07015	51.1
106.06636	0.9
106.07355	1.3
107.08580	52.1
108.08921	1.2
109.02896	1.8
109.06522	1.4
109.10145	36.7
111.08075	1.0
111.11716	1.2
117.07040	2.1
119.08562	34.6
120.08910	1.6
121.10124	16.4
123.04417	0.9
123.11667	7.8
125.09680	0.9
127.03889	4.1
131.08575	1.4
133.10114	21.4
135.11667	10.1
139.03854	0.8
145.04964	3.6
145.10130	2.0
147.11661	37.6
148.12047	1.5
149.13252	3.3
151.11131	1.8
152.17404	0.7
159.11633	1.8
161.13229	15.4
163.05994	1.0
163.14787	12.0
163.96838	0.7
165.12764	1.3
167.07002	6.6
168.07335	4.0
175.14818	6.8
177.16338	0.8
181.04976	1.7
182.05289	2.5
184.89052	0.8
201.16359	1.0
203.17926	100.0
204.18274	4.5
221.15488	1.3
221.18971	10.6
347.22400	0.8
388.14749	0.9
393.57315	0.9
418.15692	3.6
442.90063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55149	12.6
54.50664	8.9
67.05492	30.6
69.07054	22.0
71.04965	16.4
73.38041	10.1
79.05471	22.3
81.07044	100.0
83.08594	11.9
83.40755	11.0
91.05454	25.2
93.07017	94.4
95.08588	76.8
105.07027	49.0
107.08556	50.4
109.06516	11.5
109.10109	55.3
119.08562	76.5
121.10104	60.1
131.08524	18.3
133.10100	34.9
135.11658	28.1
142.33621	10.1
145.10143	25.4
147.11722	20.2
149.13237	40.1
159.11667	41.4
161.13200	13.9
163.14757	23.4
173.13211	28.9
189.16423	9.9
191.17856	25.7
193.91515	10.0
210.78189	11.6
213.16301	10.6
259.90356	10.3
261.98291	10.2
283.24225	21.9
418.17081	19.3
419.17932	14.3
419.22879	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	418.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82317	0.3
57.03431	0.4
57.65967	0.3
61.74182	0.3
69.03415	0.8
69.68809	0.4
70.82893	1.0
73.06542	0.8
74.06051	0.4
79.05479	0.6
81.03403	0.6
85.02893	2.0
91.05462	1.1
93.07036	0.8
95.04987	0.4
97.02871	1.1
98.97547	0.6
99.04475	0.5
103.05447	5.9
107.04928	1.7
109.06490	0.4
116.98601	0.3
120.08085	100.0
121.02838	1.9
121.06510	1.6
121.08438	2.2
124.03931	0.5
127.03899	0.7
131.04898	2.5
132.76190	0.3
137.04665	0.3
137.05843	0.4
138.09146	0.5
139.03915	0.5
145.04912	0.6
147.04309	0.4
149.05974	2.4
153.81244	0.3
163.03850	0.6
166.08611	57.5
167.07019	1.1
167.08940	1.4
193.08533	0.5
197.08066	0.8
237.02785	0.9
244.68338	0.4
256.11533	0.4
339.05759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
61.02911	1.3
69.03444	2.9
70.06562	0.8
70.28294	1.1
70.28692	1.4
75.09023	0.6
77.34570	0.6
77.51354	0.5
79.64005	0.5
81.03402	2.5
81.07037	0.6
85.02888	8.6
85.63587	0.7
87.04433	1.0
89.06015	60.3
90.06330	0.5
95.04907	1.2
95.65966	0.5
97.02876	2.1
99.04424	1.0
106.02878	0.7
106.06538	1.3
107.04919	1.0
107.07029	1.7
109.02905	1.0
109.34110	0.5
111.14206	0.6
111.97704	0.6
121.02839	7.7
122.03185	2.0
123.04362	0.9
127.03876	2.0
130.08650	0.6
133.08582	27.6
133.10085	1.2
136.03893	0.6
139.03848	0.9
145.04926	1.3
147.04344	0.8
151.09627	1.9
161.02945	0.8
161.26253	0.6
167.07109	0.8
171.18291	0.5
177.11168	4.9
195.12270	1.3
221.13768	0.9
238.10802	0.6
239.14850	100.0
240.15225	1.6
256.11642	0.9
291.14761	0.9
349.62943	0.6
349.67368	0.8
418.16745	2.6
419.15091	1.0
429.19080	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68790	0.5
53.03944	4.8
55.01849	1.1
57.03419	1.5
58.39311	0.6
61.02921	0.8
65.03944	0.9
67.05473	0.6
69.03425	7.5
69.45881	5.3
71.04967	2.0
73.02911	3.8
77.03931	0.8
79.05042	0.9
79.05461	5.1
81.03403	14.6
81.07028	0.7
83.04954	0.6
85.02889	9.5
91.05443	0.9
95.04952	5.4
97.02882	10.2
99.04435	17.2
99.05093	0.9
100.11203	0.6
105.03372	100.0
106.03706	0.9
107.04951	1.2
109.02125	0.7
109.02859	10.5
109.10135	1.2
111.74883	0.7
117.05463	10.8
117.07037	1.3
118.07345	0.6
119.08588	0.9
121.02854	2.2
121.10094	0.7
123.04412	13.6
127.03898	9.9
134.57582	0.6
145.04945	3.0
145.06384	1.7
146.06847	1.0
147.04364	0.9
161.09583	1.5
161.93925	0.8
165.01782	0.7
167.07011	29.1
168.07347	20.0
168.08791	1.2
173.05933	4.4
174.06303	4.0
181.04922	6.3
182.05240	4.3
203.10634	1.1
205.08534	1.1
206.08839	0.9
221.11726	1.5
231.06538	1.6
233.08022	1.6
234.08406	1.6
236.10031	1.5
239.12791	4.9
249.07555	38.1
250.07838	0.8
267.08591	26.4
287.05447	22.5
299.05490	4.3
311.05652	1.5
313.07065	0.9
320.04080	0.8
325.07053	0.9
329.06522	3.4
353.06506	1.8
359.07632	0.8
365.06143	0.8
366.36804	0.7
383.07663	3.7
388.14560	5.9
401.08661	2.0
418.15744	20.2
419.09439	2.7
419.15259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01868	0.5
55.05258	0.6
55.05504	7.5
57.03423	0.5
65.03929	0.7
67.05481	0.7
69.03411	1.7
70.06319	2.1
71.04978	0.8
73.06525	1.7
79.05450	1.1
81.03404	2.2
81.07044	1.2
85.02886	2.3
85.06512	0.6
89.03897	3.9
90.95968	0.4
91.05454	1.5
91.06002	0.4
91.07584	6.9
93.07014	0.9
95.04922	0.9
95.08570	0.4
97.02865	1.3
97.13480	0.4
98.20818	0.6
105.02701	0.7
105.03366	7.9
105.07034	0.9
107.04917	1.2
107.08549	0.9
109.02852	1.3
110.06016	1.5
111.00806	0.4
117.03360	14.8
119.08480	0.4
121.02859	4.3
123.04395	2.1
127.03904	1.3
133.10147	0.7
134.03569	1.2
135.04343	1.2
137.05977	0.6
139.03848	0.4
143.22861	0.4
145.02821	48.4
145.06473	1.4
146.03099	1.0
146.06715	0.6
147.04395	1.4
149.02310	8.7
149.05945	6.9
152.04350	0.6
153.01799	1.8
153.05400	0.7
159.07968	0.6
161.09602	0.4
163.03874	0.9
165.01782	1.0
166.08565	0.5
167.03333	0.5
167.07018	10.7
168.07335	5.9
173.05989	1.5
174.06360	0.8
177.05438	100.0
178.05797	2.2
181.04941	4.0
182.05290	1.7
186.05421	1.0
187.07442	0.6
195.06557	0.9
221.08044	2.6
221.11697	0.8
231.10315	0.5
234.08417	0.8
239.09123	5.1
239.12700	1.0
241.04938	0.6
249.07536	2.2
249.11163	2.0
267.08548	2.2
283.08078	0.6
287.05450	48.3
321.09470	0.6
330.10791	0.5
339.10687	2.6
388.14514	1.6
401.16241	0.9
418.15750	6.4
419.09549	1.0
419.16635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.6
57.03429	6.4
61.02954	1.3
65.03966	0.6
66.78841	0.5
68.99801	0.9
69.03447	1.8
70.76349	1.3
71.05007	0.7
71.38254	0.4
73.02908	13.9
73.03281	0.8
76.46296	0.5
79.05511	0.8
81.03403	1.2
81.07078	0.8
82.06562	0.6
83.05012	0.5
85.02930	2.2
86.09743	0.9
91.05505	0.6
92.98160	0.5
93.07050	0.9
95.04981	1.0
97.02900	1.3
100.07577	0.6
103.05491	0.6
105.03368	4.2
107.04959	1.4
109.02895	0.6
115.03928	1.0
115.63242	0.5
117.07014	0.6
119.05033	0.5
121.02855	3.3
123.04456	2.1
123.08102	1.4
127.03951	0.7
133.06577	0.5
133.10109	0.9
137.02350	0.9
140.04921	0.9
145.06468	1.1
146.06854	0.7
147.04434	0.9
147.08107	0.6
153.01790	3.3
154.06554	0.8
155.06006	8.3
165.01869	1.7
166.06511	0.6
167.06075	0.9
167.07109	8.8
168.07401	5.0
169.07591	15.2
170.06012	0.9
173.06012	1.3
174.06372	0.9
179.03589	0.6
179.06020	4.4
180.06862	0.6
181.04994	3.8
181.07610	1.4
182.05435	1.1
182.08324	1.1
183.02916	1.1
183.05513	8.8
183.09128	1.3
185.07169	4.0
190.06348	0.5
191.07144	0.6
193.07512	5.6
194.06070	1.4
195.03751	0.3
195.05508	11.8
196.06273	5.9
197.07092	12.6
198.05557	3.5
198.07439	0.7
201.06593	0.9
207.05539	3.7
208.06247	1.0
209.07132	2.1
210.07794	0.7
211.05026	1.9
211.08641	2.3
213.06633	11.2
221.06960	9.0
223.05006	1.0
225.06560	19.8
225.14851	0.7
226.06836	0.8
229.06071	9.9
231.06471	1.1
234.08406	1.0
237.06592	2.5
238.05208	1.0
238.07347	2.3
238.18826	0.8
239.04477	1.4
239.05693	0.7
239.08127	12.9
239.12898	0.5
241.05974	1.1
243.07629	3.9
249.06538	3.7
251.08066	0.6
253.06020	3.6
255.07387	1.1
255.11308	0.6
256.06348	1.1
256.11493	1.3
257.05499	2.1
258.05301	1.5
265.05887	1.1
266.06860	0.7
267.07590	7.7
268.07925	0.6
269.05502	1.8
271.07104	14.6
271.10016	0.9
277.05984	4.3
283.06995	0.7
285.08679	15.0
286.08929	0.8
287.05460	100.0
295.07111	17.3
296.07227	0.9
312.09818	0.8
313.08139	18.4
314.08221	1.3
329.06412	1.4
330.10895	1.1
331.09213	6.1
332.09589	0.7
340.09250	2.4
354.10840	2.0
358.10275	19.7
359.10345	0.8
372.11993	2.4
382.10443	3.1
383.07471	1.4
388.14594	2.2
400.11334	24.6
401.11526	1.0
401.16232	0.7
418.12231	67.0
419.13208	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	417.2991
Annotation	12beta,22-Dihydroxy-24-methylscalar-17-en-24,25-olide
Peak:m/z	Relative Intensity
51.02374	1.8
53.03940	2.7
53.85097	1.7
54.81554	2.1
55.01865	3.6
55.05501	16.4
56.84099	1.7
57.03426	4.2
57.06422	2.0
57.07062	6.9
65.03917	2.5
67.05494	28.3
69.03412	3.1
69.06762	1.8
69.07061	19.8
70.60940	1.5
70.89040	5.7
71.04985	3.6
71.08614	1.8
71.89928	1.7
77.03913	2.1
79.05482	29.3
81.03419	2.2
81.07044	81.0
82.07277	1.5
83.04942	3.0
83.08611	10.7
85.06523	7.5
91.05465	28.1
93.07029	66.5
95.04955	9.9
95.08591	67.3
97.06503	9.4
97.10161	6.2
99.08086	6.3
105.07015	87.0
107.08575	100.0
108.08895	2.8
109.06484	5.7
109.10126	36.4
111.08061	35.8
113.09613	2.3
115.05443	2.5
117.06976	12.3
119.04933	1.8
119.08561	67.7
121.06516	4.3
121.10125	61.7
123.08041	4.1
123.11692	44.5
125.09598	9.5
128.06203	3.7
129.06967	8.6
131.04877	2.3
131.08554	40.5
133.10115	50.6
135.07956	3.1
135.11673	34.4
137.05966	5.1
137.09563	2.0
137.13239	6.8
139.11171	3.9
141.06970	3.6
141.09227	1.8
142.07765	4.5
143.08545	24.2
144.09317	4.0
145.06577	2.0
145.10095	62.6
146.10577	3.0
147.08046	3.9
147.11665	47.4
149.09619	5.5
149.13231	36.3
151.07523	2.8
151.11179	5.7
151.14824	1.7
153.12733	5.6
155.08566	8.2
156.09389	4.2
157.10103	28.5
158.10794	3.2
158.51785	1.8
159.07950	2.9
159.11671	46.7
160.12112	2.0
161.09575	7.0
161.13232	38.9
163.11180	8.7
163.14784	20.4
165.12721	5.4
167.07019	6.3
167.08492	2.8
167.14310	9.5
169.10118	10.4
170.10857	2.2
171.11652	26.6
173.11815	2.0
173.13245	33.6
175.11151	6.7
175.14786	25.4
177.12770	3.8
177.16389	5.5
179.10675	3.7
179.14268	14.5
181.04861	2.0
181.10104	2.4
181.15762	2.3
183.11627	8.8
185.13237	22.8
187.11148	4.7
187.14809	25.2
189.12695	3.7
189.16345	12.5
191.10696	5.3
191.14307	4.4
191.17899	3.3
193.12198	4.4
193.15822	8.5
195.11766	3.5
197.13205	8.0
199.11269	2.1
199.14778	18.2
201.12767	3.8
201.16321	10.2
203.10620	3.7
203.14279	4.9
203.17952	4.4
205.12216	5.6
205.15877	5.1
205.19525	2.0
207.13782	3.4
207.17435	1.8
209.11604	3.2
209.13402	1.9
211.14850	3.8
213.12737	2.4
213.16379	4.8
215.14296	3.7
215.17842	4.9
217.12221	6.4
217.15846	3.9
219.13742	9.6
223.20537	3.2
225.16322	5.0
225.18506	1.8
227.14301	1.9
227.17909	5.2
231.13684	11.2
233.15341	7.8
237.14783	4.7
239.18100	2.7
241.19504	3.5
245.15425	13.6
247.16797	2.3
249.14734	3.7
253.19476	2.9
263.16284	4.0
265.19373	2.4
271.16949	2.3
279.21011	3.3
281.22552	2.7
285.18661	2.5
287.22128	5.3
295.21091	2.0
309.25763	3.6
335.27368	11.2
353.28299	29.4
354.28397	2.8
355.29929	5.0
363.26630	5.1
371.29562	17.8
373.27118	2.4
374.62711	2.0
381.23245	3.1
381.27777	36.1
382.28012	3.5
399.28912	44.6
400.29276	3.4
417.16840	2.0
417.30066	42.5
418.29422	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	417.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69175	3.1
55.05497	10.3
56.98222	3.7
67.05482	7.6
69.03405	5.1
69.07043	10.0
69.58602	10.9
69.59007	16.9
71.04967	31.1
79.05479	18.5
81.07043	35.3
83.04948	3.3
83.08616	5.8
85.02898	4.4
85.06524	4.2
91.05478	17.3
93.07037	23.0
95.08588	30.4
97.06500	5.6
98.20814	6.3
99.08077	7.3
105.07020	47.0
107.08570	27.7
109.10114	20.9
119.08553	14.4
121.10116	16.4
123.11712	4.4
125.09617	30.8
127.11140	5.5
131.08514	9.8
133.10109	100.0
135.11662	4.8
139.11115	3.7
142.62747	3.4
143.10643	43.5
145.10121	18.7
147.11644	17.8
149.13222	28.3
151.11105	9.3
159.11649	12.5
161.13237	4.8
167.07019	33.6
167.14290	74.4
168.35564	3.4
173.05939	4.8
178.41022	3.6
181.04974	7.0
189.16519	3.9
201.16376	16.5
219.17400	70.6
237.18457	14.1
269.60596	4.6
362.77173	3.6
417.15262	11.7
428.47446	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	417.263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23473	4.1
55.05503	19.2
57.03433	6.7
58.86662	4.3
67.05502	28.5
69.03413	8.2
69.07055	25.8
71.04980	6.1
71.62262	4.6
71.62661	7.0
79.05482	42.7
81.07052	76.6
83.04964	9.2
83.08572	5.1
85.02889	8.4
85.06490	4.8
89.51780	4.3
90.56449	4.4
91.05456	30.0
91.21701	4.8
93.07032	84.3
95.04947	19.0
95.08604	59.1
97.02898	4.8
97.06519	11.3
97.10165	7.0
103.05427	5.8
104.86527	5.4
105.07019	87.1
107.04932	5.3
107.08572	100.0
109.06508	8.8
109.10135	52.6
109.92867	4.3
111.08062	14.6
112.44781	4.3
113.77723	4.7
115.05399	5.1
117.06988	18.2
119.08568	70.7
121.06491	12.9
121.10133	96.4
123.08063	10.4
123.11696	18.8
125.09558	5.5
128.06218	9.0
129.06981	13.9
131.08553	74.4
133.10124	66.0
135.08054	10.2
135.11676	50.6
137.09586	11.1
137.13205	5.6
141.06926	6.4
142.07761	11.1
143.08543	61.2
144.09338	6.5
145.06451	8.5
145.10091	84.7
147.08046	21.7
147.11671	64.9
149.09589	14.5
149.13240	17.8
151.11151	6.2
153.09007	7.2
155.08527	14.1
156.09355	9.6
157.10127	61.6
158.10855	6.1
159.08005	5.0
159.11687	79.6
161.09625	36.3
161.13200	31.4
163.03862	10.9
163.11177	16.0
163.14827	7.3
165.09090	5.3
167.06987	49.6
167.10637	10.3
167.58971	4.7
169.10086	23.6
170.10870	6.2
171.11644	54.5
172.12140	5.9
173.05989	7.0
173.09514	5.7
173.13226	41.8
175.11188	15.1
175.14798	21.3
177.12756	12.9
179.10580	10.1
181.04924	14.8
183.11678	20.9
185.09627	6.9
185.13246	60.7
187.11183	15.6
187.14793	22.3
189.12691	23.0
191.14252	7.1
193.12219	13.5
195.11710	10.5
197.13225	16.2
199.11214	7.2
199.14792	44.8
201.12721	10.3
201.16423	13.1
203.14288	18.8
205.12207	11.7
207.13741	8.4
209.13310	11.4
209.15369	5.8
211.14717	10.1
213.12717	7.3
213.16386	12.5
215.14322	12.8
217.12192	15.3
217.15848	12.8
223.14835	9.8
225.16331	6.8
227.14412	5.4
231.13747	12.7
233.15364	7.5
239.18166	5.2
245.15376	14.3
251.18005	7.4
263.16327	6.2
269.19009	5.5
277.19333	7.9
279.20923	22.3
281.22693	8.8
297.22067	26.4
307.20572	11.0
307.24045	8.2
325.21579	36.4
325.25241	12.2
335.23679	18.2
343.22656	86.2
344.23267	5.5
353.24716	95.3
355.26239	21.6
363.23004	13.6
371.21246	7.9
371.25745	95.8
372.26093	10.1
373.27304	12.7
381.24112	38.0
387.14716	5.3
399.25217	75.3
400.25687	8.6
417.15945	24.8
417.26651	41.9
417.31158	7.7
418.26550	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2477
Annotation	Dendroside A
Peak:m/z	Relative Intensity
51.64614	2.0
53.03939	3.3
55.05508	9.6
57.03445	2.1
57.07058	3.7
58.01960	1.6
59.04982	2.6
64.50393	1.6
67.05495	11.1
69.03417	4.8
69.07062	8.6
71.04987	35.0
71.06097	4.8
73.02917	2.3
73.06538	3.5
79.05485	17.0
79.58848	1.6
81.07043	35.0
83.08612	7.4
85.02893	5.4
85.06525	4.2
91.05466	16.5
93.07039	23.1
95.04934	3.1
95.08598	28.1
97.05898	1.4
97.06520	6.2
97.10123	3.9
99.08078	9.6
105.07014	49.0
107.04950	2.4
107.08577	24.6
109.06513	5.8
109.10136	19.0
109.94956	1.9
111.08002	2.1
112.84620	1.6
115.05474	2.0
117.07020	9.3
119.08569	17.1
121.10135	17.2
123.04356	2.1
123.11688	7.4
124.40262	1.5
125.09612	31.7
127.07494	4.5
127.11195	7.0
131.08549	14.3
133.10109	100.0
134.10468	1.9
135.11671	4.5
139.11214	2.0
143.10654	44.0
145.06479	5.1
145.10095	16.3
147.11674	19.4
149.13251	20.0
150.31345	1.9
151.11139	8.1
155.05997	2.3
155.10646	2.4
159.11700	11.8
161.13235	5.7
167.07019	54.1
167.14302	64.1
168.52512	1.7
169.12193	4.2
173.05962	6.5
177.12737	1.7
181.04913	12.0
201.16353	17.1
218.13934	1.6
219.17409	64.6
220.17769	3.5
233.08156	3.7
237.18449	11.4
248.08266	1.5
268.37143	1.8
290.20129	1.8
319.65179	1.9
387.14236	8.2
417.15292	18.0
418.15707	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	5.8
55.05494	18.5
64.97721	5.9
67.05491	29.4
69.03428	8.8
69.07051	14.0
69.55441	22.6
69.55865	21.6
70.06613	5.9
71.04994	8.3
79.05499	30.6
81.03416	12.9
81.07049	100.0
83.04974	11.7
83.08600	6.9
85.02906	29.6
85.06560	10.1
90.36477	6.6
91.05467	25.9
93.07039	60.8
95.04948	9.7
95.08597	43.7
97.02873	11.6
97.06525	9.4
97.10150	11.8
98.21484	6.8
99.04479	6.6
105.03390	49.0
105.06985	41.4
107.04962	9.7
107.08600	63.7
109.02846	9.8
109.06529	10.3
109.10143	40.9
111.08076	8.4
114.67412	5.4
117.06973	11.3
119.08588	45.7
120.08949	5.8
121.10130	68.6
123.04484	9.3
123.08077	7.2
123.11695	6.8
125.09638	9.9
127.03902	15.4
131.08563	21.1
133.10117	32.1
135.08066	10.5
135.11667	9.9
137.09645	9.0
137.35442	5.2
145.04982	8.2
145.06439	12.4
145.10100	69.2
147.11700	10.8
149.13245	8.2
150.43465	6.5
151.11215	11.8
157.10114	7.6
159.11679	42.9
160.12027	7.4
161.13177	30.4
163.11171	11.7
167.07028	79.9
171.11606	6.7
173.05957	10.8
173.13278	13.0
174.13690	6.4
174.84668	5.6
177.12621	6.7
178.07877	5.1
181.04889	27.4
191.07016	6.9
191.18057	8.1
201.16321	61.2
219.17438	93.2
233.07959	6.4
235.67465	6.5
237.18542	7.0
249.07614	20.7
255.23642	6.3
267.08658	6.8
387.14487	11.4
416.10388	8.1
416.28833	8.6
417.15387	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	416.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01850	1.9
55.05487	1.1
57.03424	5.0
61.02916	8.1
63.73233	0.5
69.03420	15.1
70.06583	1.4
70.31178	2.0
71.04960	2.8
72.08135	1.1
73.02913	4.1
73.06541	1.1
76.50935	0.6
78.41057	0.6
81.03407	7.4
83.01353	0.8
83.04977	1.2
84.08122	0.7
85.02889	100.0
86.03224	1.1
86.09703	1.2
87.04448	2.9
91.03947	6.8
97.02875	23.2
98.20821	0.9
98.97571	0.7
99.04436	5.4
101.02374	1.1
101.03107	0.6
101.06017	1.7
103.03925	1.1
109.02858	7.7
111.05750	0.6
113.51962	0.6
115.03916	1.3
119.04947	0.8
119.07053	1.1
121.02846	17.4
122.03184	0.7
123.04403	0.8
124.03938	0.8
127.03896	27.8
139.03857	0.9
145.04930	61.7
146.05286	1.2
147.04408	1.1
163.05994	30.7
167.07008	0.9
169.52621	0.8
181.04955	1.0
214.05835	0.9
235.73532	0.6
237.13245	4.9
254.06398	0.7
325.11356	1.7
416.12506	2.7
417.13113	0.8
421.04202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89263	0.5
53.03944	1.4
55.01859	2.3
55.05487	1.1
57.03429	5.3
59.04985	1.3
61.02917	8.0
69.03419	17.5
69.07043	0.8
69.61176	3.9
70.06585	1.3
71.04981	2.8
72.08141	2.0
73.02892	4.7
73.06546	1.8
74.45496	0.5
79.05498	0.6
81.03407	6.8
81.07043	0.7
83.04966	1.4
84.08122	1.4
85.02891	100.0
86.03209	1.0
86.09689	1.8
87.04449	2.6
87.08098	1.0
91.03932	6.1
91.05424	0.7
93.07024	0.6
95.04947	1.0
96.04462	0.5
97.02879	23.8
97.67902	0.4
98.20744	1.0
99.04453	4.4
101.02347	0.7
101.06004	3.5
103.03903	1.5
105.07042	1.1
106.02898	1.4
107.04962	1.0
109.02866	8.3
111.04410	0.7
115.03920	1.2
116.98602	0.5
119.07076	1.3
120.08088	0.8
121.02848	11.8
121.06470	1.3
122.03166	0.8
122.05999	0.8
123.04451	0.6
124.03955	1.9
127.03893	27.8
133.05037	0.6
133.06477	0.6
133.10118	0.9
135.04410	0.6
137.05942	0.7
145.04939	59.2
146.05307	1.5
147.04413	2.1
147.05574	0.5
161.05959	1.2
163.05997	26.4
167.07025	1.7
180.08765	0.5
181.04900	4.2
193.08569	0.7
203.70471	0.5
207.06410	0.5
208.07526	0.6
209.08037	0.6
210.08595	0.6
214.05890	1.1
236.09140	0.6
237.13293	4.3
237.15202	0.5
250.06990	0.7
254.06805	0.8
254.10297	0.8
254.14023	0.8
267.51343	0.5
268.08188	0.6
289.09253	0.5
307.08801	0.8
325.11325	1.6
335.45297	0.5
356.04263	0.6
363.16949	0.6
374.05103	0.7
416.11523	1.3
416.15570	1.0
427.10757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.3
55.01844	1.5
55.05508	3.7
55.65581	0.6
57.03417	1.4
57.07061	1.1
59.05001	0.9
61.02918	1.4
63.19972	0.6
65.03919	2.7
67.05495	8.1
69.03412	5.0
69.07050	6.1
70.64540	2.8
71.04965	3.8
77.47337	0.7
78.04677	1.9
79.05492	10.3
80.05801	0.8
81.03403	3.3
81.06573	1.0
81.07047	18.4
83.04973	1.7
83.08616	1.7
85.02420	0.9
85.02892	12.0
85.06505	1.1
91.05463	11.4
91.32053	0.7
93.07030	17.9
95.04956	5.2
95.08065	0.5
95.08591	13.4
96.08907	0.9
97.02869	4.4
97.06495	4.1
97.10160	1.1
100.11253	1.7
103.05461	3.9
105.03372	9.3
105.07010	25.2
106.04166	1.3
106.07330	1.3
107.04944	4.8
107.08576	26.5
108.08894	1.5
109.02838	2.7
109.06494	2.6
109.10139	9.2
110.03656	1.3
110.10474	1.4
111.04415	1.0
111.08064	1.7
115.05402	3.9
116.06253	1.1
117.06997	11.8
118.04092	0.9
119.07921	0.7
119.08564	16.3
120.05715	0.8
120.08942	1.0
121.06492	2.2
121.10126	11.5
122.03577	0.7
123.04417	7.5
123.08045	1.3
123.11695	3.2
124.05178	3.1
125.05965	2.0
125.09570	2.0
127.03899	4.1
127.11204	0.8
129.06953	1.4
130.07800	1.8
131.04898	2.7
131.08556	10.5
133.06369	1.0
133.10109	15.6
134.10477	1.7
135.08037	1.0
135.11678	3.8
137.05936	0.9
137.09550	1.2
137.13184	0.7
138.03021	0.8
139.03876	1.2
139.11168	2.4
142.02596	1.0
143.08559	1.7
144.09323	1.0
145.04955	2.5
145.06459	9.4
145.10104	29.1
146.10611	0.8
147.04404	1.4
147.11682	3.6
148.05136	1.9
149.06009	1.0
149.09583	1.7
149.13208	3.0
151.03886	1.6
151.11122	1.7
152.04611	2.9
153.01807	0.9
155.05968	1.9
157.10097	1.4
158.10999	0.8
159.08080	1.1
159.11662	18.7
161.05946	0.9
161.13239	7.5
163.07533	2.7
163.11157	2.0
163.13501	0.7
163.14828	1.9
165.09079	0.9
167.07014	100.0
169.63872	0.7
171.06502	2.7
173.05963	15.4
173.13266	4.8
175.07468	0.9
175.14813	1.5
176.11636	0.9
177.12820	1.0
181.04926	40.2
182.53992	0.7
184.07281	1.0
186.14041	0.9
191.07031	11.0
191.17963	1.4
195.10031	0.9
201.16357	26.5
203.17972	1.3
205.08621	2.6
217.12285	0.8
219.13953	1.0
219.17412	10.1
230.86809	0.8
233.08047	7.0
235.09575	4.5
237.18437	2.2
267.08749	2.5
285.10043	1.0
295.09567	0.9
346.29428	0.7
372.07947	0.7
381.13397	1.0
381.23032	1.0
385.13083	1.3
387.14334	14.2
398.23846	0.9
399.14539	2.1
416.10486	4.8
416.15305	0.9
416.24512	1.4
416.32620	1.6
417.15436	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2839
Annotation	22-Hydroxy-24-methylsedn-16-en-24-one-12beta,25beta-olide
Peak:m/z	Relative Intensity
55.01841	4.7
55.05496	24.5
57.03432	8.6
61.02935	5.4
62.83824	4.5
67.05502	35.5
69.03407	13.4
69.07063	19.9
71.04987	9.1
71.62861	5.1
71.63245	4.6
79.05490	27.0
81.07038	79.8
83.04942	9.0
83.08617	12.3
85.06527	14.8
86.09687	6.8
88.24397	5.4
91.05433	41.3
93.07027	50.6
95.04956	18.4
95.08582	67.5
97.06496	10.9
97.10158	5.4
105.07014	100.0
105.07666	7.1
107.08574	78.7
108.08886	4.8
109.06526	12.0
109.10141	45.7
111.08061	15.8
117.07014	14.3
119.08559	86.2
120.08904	9.0
121.06513	9.6
121.10112	59.9
123.08065	12.0
123.11681	20.9
125.09637	11.3
128.06256	5.3
129.06970	13.6
131.08563	54.3
133.10100	77.3
135.08052	7.4
135.11697	34.6
137.05933	7.3
137.09599	13.5
137.13199	6.1
141.07010	7.1
142.07787	11.1
143.08539	43.7
145.06488	4.4
145.10088	68.5
146.10500	5.3
147.08015	7.2
147.11673	81.1
149.06024	7.2
149.09616	9.6
149.13235	24.1
151.11101	8.2
155.08522	14.1
156.09352	8.0
157.10095	43.8
159.11688	74.2
161.09549	8.3
161.13243	58.9
163.11121	9.2
163.14777	10.9
165.12723	14.5
167.03377	13.2
169.10060	23.2
170.10823	5.2
171.11632	44.7
173.09613	8.4
173.13229	47.6
175.11176	13.0
175.14783	25.3
177.09099	5.2
177.12721	14.5
179.14339	6.8
183.11696	15.6
185.13277	22.4
187.11192	15.0
187.14775	23.5
189.12695	12.1
189.16388	10.4
191.14328	16.2
193.10062	5.1
195.11655	9.0
197.13229	14.3
199.14815	21.7
201.12691	7.2
201.16405	8.1
203.14368	7.1
205.15807	5.8
209.13268	10.1
211.14862	10.0
213.16252	7.8
215.14220	12.4
217.12187	11.5
219.13791	7.3
219.17520	4.8
221.13307	5.8
225.12801	5.4
225.16368	7.6
229.12273	4.6
231.13803	14.8
233.15431	16.8
243.13762	10.8
245.15337	7.0
261.14832	15.6
265.08124	4.9
277.19391	5.8
279.21078	6.6
291.20944	6.5
323.20197	7.1
333.25723	12.5
351.23334	5.0
351.26822	37.5
352.27203	5.6
353.24442	5.9
361.25293	8.2
369.27795	27.8
371.25552	7.7
379.26318	46.1
397.27316	82.9
398.27753	10.7
415.09738	7.2
415.28525	56.3
416.28757	7.4
417.08151	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	415.2838
Annotation	22-Hydroxy-24-methylsedn-16-en-24-one-12beta,25beta-olide
Peak:m/z	Relative Intensity
51.02363	0.6
53.03922	0.7
55.05508	2.7
57.20211	0.6
58.12429	0.5
64.51772	0.5
65.03929	0.9
66.33638	0.5
67.05493	5.1
69.03417	0.9
69.07054	3.1
79.05488	4.5
81.07048	14.5
81.07489	0.6
83.04985	0.7
83.08600	1.9
83.14942	0.5
85.06548	1.0
85.40679	0.5
91.05458	12.6
93.07034	10.8
95.04936	2.3
95.08595	11.7
96.08950	0.6
97.06502	1.4
97.10188	0.8
103.05459	1.1
105.07017	21.0
107.08578	14.0
109.06508	1.6
109.10143	6.7
111.08060	2.1
115.05430	0.7
117.07003	4.9
119.08564	100.0
120.08885	4.4
121.06486	1.0
121.10123	11.4
123.08077	1.2
123.11716	3.1
125.09605	1.0
128.06194	1.1
129.06956	2.1
131.08553	10.0
133.06477	1.5
133.10112	13.4
134.10408	0.5
135.08031	1.7
135.11676	5.3
137.13214	2.9
139.98752	0.6
141.06953	0.8
142.07756	1.5
143.08549	5.3
144.09328	0.7
145.10112	15.3
147.04388	3.8
147.07980	0.9
147.11667	17.3
149.09608	1.3
149.13225	4.0
151.07484	0.6
151.11143	1.4
155.08542	3.1
156.09322	1.2
157.10104	7.9
158.10808	0.6
159.08049	0.9
159.11673	11.8
160.12120	0.9
161.09598	1.3
161.13240	11.2
163.11191	2.2
163.14815	3.2
165.12717	2.5
167.08566	0.8
169.10092	3.1
171.11664	8.6
173.09537	1.2
173.13251	8.0
175.11172	1.4
175.14786	3.9
177.09048	0.8
177.12721	1.3
177.16402	0.7
179.14302	1.5
182.10713	0.8
183.11633	3.2
184.07370	0.7
185.13243	4.5
187.11208	1.6
187.14763	4.9
189.12701	1.5
189.16331	2.6
191.10641	0.8
191.14265	2.9
193.10199	0.7
195.11679	1.5
197.13290	2.8
199.11200	0.8
199.14783	3.1
201.12724	0.9
201.16441	2.6
203.14351	1.7
205.12248	1.1
205.15799	1.0
207.11844	0.8
207.13765	1.7
207.17380	0.7
209.11674	0.7
209.13367	1.1
211.14778	1.5
213.16319	2.0
215.10910	0.7
215.14319	1.8
217.12292	1.7
217.15843	0.7
219.13820	0.7
223.14766	1.2
225.12737	0.6
225.16428	1.3
227.17932	1.2
229.12172	0.8
229.34439	0.6
231.13794	1.7
233.15312	2.2
237.16371	1.5
239.99376	0.6
243.13857	1.1
245.15283	1.2
245.19087	0.7
249.14598	0.6
257.15329	0.6
261.14868	1.6
265.19617	0.7
269.15186	0.6
277.19574	0.9
283.16800	0.6
333.25778	2.1
335.27151	0.6
351.26794	6.2
353.24509	1.3
353.28336	1.2
361.25229	0.9
369.27759	5.3
371.25830	1.9
379.26172	7.4
397.27264	13.3
398.27899	0.8
415.28302	11.2
416.28763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05248	1.9
55.05502	19.9
57.07069	13.7
58.06579	1.6
62.20081	1.3
67.05488	4.1
69.06717	2.3
69.07061	28.2
69.68600	8.6
71.08628	12.7
79.05490	1.7
81.07037	7.7
81.41697	1.2
83.08607	19.0
85.10162	5.2
89.06007	2.3
93.07035	3.5
93.24166	1.3
95.08585	6.0
97.10155	19.7
98.20807	1.7
102.05518	13.8
104.07088	100.0
107.08539	2.5
109.10158	3.7
111.11684	9.8
119.08549	2.6
121.06474	1.8
121.10120	2.6
123.11632	1.5
125.13251	2.0
135.11629	1.7
139.14893	1.5
149.13257	3.0
163.14809	1.8
209.18919	1.5
235.84473	1.2
271.15353	6.0
275.27408	2.7
293.28302	9.8
318.09906	1.4
318.51282	1.5
396.34662	23.4
397.34937	1.6
414.18661	1.7
414.35544	4.0
415.15060	2.4
415.19870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.4
69.03419	8.1
69.93478	6.2
69.93896	6.3
72.08109	2.2
73.02885	1.9
81.03404	2.4
85.02900	16.3
86.06001	2.0
97.02881	5.5
98.20849	3.1
109.02847	2.2
119.01892	6.2
121.06477	4.5
127.03922	5.5
145.03468	3.5
145.04900	5.0
150.83138	1.9
153.05737	12.4
157.03471	6.4
160.07538	4.2
161.02969	2.3
162.06311	4.3
162.45399	2.5
175.04472	2.8
190.49110	2.5
203.07513	3.0
205.05481	3.4
215.07518	2.8
223.06670	8.3
234.08386	5.7
242.07919	2.3
243.08911	11.3
263.72870	2.0
265.07678	14.7
279.09045	2.7
295.08545	2.7
305.10767	7.0
307.08722	10.3
354.98135	2.4
397.11938	10.7
415.01129	4.2
415.09930	100.0
416.10324	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	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01852	6.6
57.03412	9.9
61.02916	15.9
69.03414	40.9
71.04951	4.0
71.61158	4.7
73.02896	13.7
81.03390	11.1
85.02889	100.0
86.03244	5.2
86.06039	3.3
87.04466	4.2
91.03928	5.0
97.02876	31.4
99.04448	9.2
101.00861	8.4
109.02883	6.5
115.03874	3.6
115.05967	2.5
119.01903	38.6
120.01944	4.5
121.01605	3.4
121.02043	3.7
121.02852	34.8
121.32923	2.9
127.03891	43.6
128.04234	5.5
129.05519	3.3
131.51900	3.5
132.01802	3.2
133.03404	5.4
137.02921	5.8
137.04517	2.7
143.01836	13.7
145.03416	14.0
145.04953	31.3
149.06516	3.9
153.03198	5.2
153.05746	19.9
153.55782	4.6
155.01837	3.8
157.03453	39.4
158.03609	5.1
161.02907	18.9
161.06616	4.1
162.03346	3.7
162.06299	4.7
163.03903	4.6
169.03635	3.5
173.02968	7.2
173.57083	3.3
175.04494	24.9
179.06483	3.0
181.05516	5.9
184.05812	10.1
185.02968	3.7
185.51273	3.3
187.04439	4.6
193.06325	9.4
193.56445	3.1
198.98483	4.4
203.03947	5.9
203.07631	6.1
203.51973	3.1
204.03979	3.9
205.05585	15.7
213.05948	4.5
215.07764	4.0
221.05115	5.2
223.06581	69.4
224.06822	5.3
225.05334	8.7
234.08290	16.0
239.07544	2.9
241.07613	29.0
243.09108	23.0
243.59201	5.9
244.06776	20.7
244.56952	8.8
245.05043	7.4
259.06595	3.7
264.58157	4.2
265.07648	75.1
266.07748	6.8
277.07709	4.7
279.05688	5.5
279.09161	15.8
285.07336	4.0
292.06583	4.2
295.08679	13.4
305.07419	5.1
305.10742	16.5
306.10904	3.1
307.08679	78.3
308.08929	6.6
317.07248	6.6
337.09625	4.7
349.06741	3.6
365.12918	4.6
367.10739	10.5
379.07169	3.4
382.10095	3.7
397.11957	46.8
415.00540	21.0
415.09827	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01863	6.6
55.05500	1.2
57.03145	1.1
57.03428	15.8
59.04993	1.7
59.93709	0.8
61.02914	16.4
67.05493	1.3
69.03418	29.5
69.07055	3.5
69.65520	4.9
69.65934	2.0
71.01345	4.1
71.04983	3.2
73.02905	73.5
79.05453	1.2
81.03400	7.7
81.07025	2.2
83.04993	1.1
85.02889	100.0
85.06544	1.2
86.03229	1.6
86.85294	0.9
87.04445	6.0
91.03929	4.5
91.05436	1.1
92.47960	0.9
97.02873	52.4
97.06490	1.9
99.04427	4.3
103.03922	1.7
103.05440	5.4
105.07020	1.6
105.86584	0.9
107.07067	1.4
107.08612	1.8
109.02859	7.9
111.08099	1.1
115.03906	28.7
117.03412	0.9
121.10093	2.1
123.04453	1.5
124.07577	4.4
127.03895	33.5
131.04901	27.8
131.08601	1.2
132.06541	1.4
133.04944	33.8
137.05998	1.4
139.03856	3.0
145.04932	64.2
149.05960	2.9
150.07616	2.9
163.03935	1.7
163.06001	39.2
165.05441	1.9
177.05417	3.9
181.04945	1.1
193.04967	1.6
199.13254	1.2
208.10466	1.0
217.07001	1.8
217.15799	1.5
223.05937	5.2
235.18983	1.8
241.07011	6.2
253.55618	1.0
259.08087	11.6
262.10736	3.4
262.70425	0.9
265.16425	5.1
274.10760	1.3
275.09079	1.5
275.34143	0.9
277.09146	2.5
293.10196	2.4
295.10065	4.3
295.59811	1.1
371.07507	2.0
383.11121	1.2
414.21552	3.9
415.14145	1.7
415.18500	1.6
415.22980	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	414.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.01863	6.6
55.05500	1.2
57.03145	1.1
57.03428	15.8
59.04993	1.7
59.93709	0.8
61.02914	16.4
67.05493	1.3
69.03418	29.5
69.07055	3.5
69.65520	4.9
69.65934	2.0
71.01345	4.1
71.04983	3.2
73.02905	73.5
79.05453	1.2
81.03400	7.7
81.07025	2.2
83.04993	1.1
85.02889	100.0
85.06544	1.2
86.03229	1.6
86.85294	0.9
87.04445	6.0
91.03929	4.5
91.05436	1.1
92.47960	0.9
97.02873	52.4
97.06490	1.9
99.04427	4.3
103.03922	1.7
103.05440	5.4
105.07020	1.6
105.86584	0.9
107.07067	1.4
107.08612	1.8
109.02859	7.9
111.08099	1.1
115.03906	28.7
117.03412	0.9
121.10093	2.1
123.04453	1.5
124.07577	4.4
127.03895	33.5
131.04901	27.8
131.08601	1.2
132.06541	1.4
133.04944	33.8
137.05998	1.4
139.03856	3.0
145.04932	64.2
149.05960	2.9
150.07616	2.9
163.03935	1.7
163.06001	39.2
165.05441	1.9
177.05417	3.9
181.04945	1.1
193.04967	1.6
199.13254	1.2
208.10466	1.0
217.07001	1.8
217.15799	1.5
223.05937	5.2
235.18983	1.8
241.07011	6.2
253.55618	1.0
259.08087	11.6
262.10736	3.4
262.70425	0.9
265.16425	5.1
274.10760	1.3
275.09079	1.5
275.34143	0.9
277.09146	2.5
293.10196	2.4
295.10065	4.3
295.59811	1.1
371.07507	2.0
383.11121	1.2
414.21552	3.9
415.14145	1.7
415.18500	1.6
415.22980	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	414.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20050	1.2
53.03940	3.4
55.01849	3.0
55.05485	2.1
57.03428	41.3
57.07064	4.5
59.04995	18.3
61.02916	17.9
61.68001	1.4
69.03416	49.5
70.00373	7.1
70.03768	1.9
70.06576	5.3
71.01353	3.5
71.04975	3.7
73.02908	100.0
73.06545	9.1
81.03407	10.5
81.07047	1.7
82.03754	2.3
83.04974	3.9
84.04481	1.9
85.02893	78.8
85.06531	2.8
86.03203	2.2
86.09675	1.9
87.04449	20.6
91.03939	4.8
91.05466	2.5
93.07030	1.4
94.20028	1.4
95.04982	1.5
96.04482	1.6
97.02877	74.2
99.04434	4.7
101.02416	1.4
103.03979	2.2
103.07561	2.3
105.03371	6.4
105.05489	13.9
106.03706	3.0
107.04912	1.6
109.02867	10.8
111.04410	2.0
112.07560	2.9
113.06046	1.9
115.03909	57.6
119.08612	1.6
121.02809	1.4
126.05350	1.6
127.03902	35.8
128.07051	7.6
129.05446	1.9
130.05765	1.8
131.10654	2.1
132.06560	2.1
133.04947	20.7
140.07056	3.6
144.06523	9.2
145.04935	43.1
147.04407	3.9
149.08011	3.4
149.11713	6.9
150.07597	4.9
162.07610	3.7
163.03912	3.3
163.05978	17.6
177.05322	1.8
179.06995	1.5
180.08662	9.1
181.04948	1.4
189.09084	1.4
199.09663	1.4
223.05927	6.4
231.08607	4.7
234.11195	2.7
241.07008	6.5
247.11755	4.5
249.09651	8.6
259.08069	5.7
265.12866	4.7
267.47830	1.5
294.11713	4.5
295.10223	4.9
407.19974	1.6
414.14612	3.8
414.20819	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	413.3772
Annotation	SCHEMBL13324291
Peak:m/z	Relative Intensity
54.87866	2.8
55.05503	11.1
57.07067	21.4
67.05499	21.5
69.07067	31.2
69.16633	3.5
71.08630	15.4
71.62839	5.1
79.05472	15.1
81.07050	41.0
83.08609	14.2
85.10184	11.7
91.05454	16.1
93.07018	26.7
93.07460	2.8
95.08602	52.6
97.06523	6.4
97.10131	8.8
105.07021	42.2
107.08580	26.4
109.10147	30.4
111.11712	5.5
111.49711	3.4
115.47045	3.2
115.84280	2.7
116.18736	3.2
117.07002	14.2
117.84538	2.7
119.08582	27.2
121.10120	16.6
123.11679	12.4
128.86166	3.1
131.08557	24.0
133.10146	23.7
135.11681	12.3
137.13254	7.6
139.54617	3.3
143.08549	12.9
144.09322	6.2
145.10112	26.4
147.11633	20.8
149.13251	10.9
157.10117	13.1
159.11684	72.8
161.13239	27.7
163.14688	3.6
165.16447	3.7
171.11656	9.3
173.13223	25.0
175.14824	6.3
177.12781	17.4
185.13246	9.9
187.14781	10.7
189.16211	3.6
191.14320	7.5
199.14702	17.4
201.16402	12.6
213.16397	21.7
215.17784	5.3
227.17899	6.7
231.17426	5.8
241.19479	7.1
247.24236	7.2
255.20993	16.9
271.61844	3.3
273.22009	5.4
313.14908	3.3
353.31815	5.0
395.36688	100.0
413.37738	92.1
414.38004	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	413.377
Annotation	porifersta-8,25(27)-dienol
Peak:m/z	Relative Intensity
55.05502	33.4
56.19807	5.6
57.07064	26.8
67.05492	43.1
69.07056	68.5
69.71380	23.6
69.71804	17.9
71.08614	16.9
74.33025	5.6
79.05494	27.9
81.03402	10.1
81.07046	97.4
83.08604	82.8
85.10170	16.8
91.05473	23.5
93.07031	40.7
95.08595	80.4
97.10138	27.4
105.06412	7.7
105.07012	45.1
105.46278	6.0
107.08572	47.3
109.10137	61.9
111.08037	5.9
111.11694	13.5
117.01724	5.7
117.07015	8.4
119.08527	29.5
121.06500	7.4
121.10122	39.3
123.09208	5.1
123.11675	29.4
125.13214	9.6
127.30935	5.2
129.75621	5.8
130.83398	5.2
131.08566	22.2
133.10089	37.3
135.11646	33.2
137.13234	12.8
143.08559	12.6
145.10146	32.2
147.11681	47.3
149.13268	32.1
159.11655	43.2
161.13210	37.8
163.14827	10.7
171.11707	6.5
173.13287	27.0
175.14825	22.3
177.16318	10.6
185.13231	8.9
187.14787	24.5
189.16383	10.4
199.14749	11.7
201.16281	28.4
203.17920	37.3
207.20946	6.2
213.16354	18.2
215.17973	8.3
217.19559	6.3
227.17908	10.3
241.19501	15.5
255.21080	48.7
257.22525	25.6
271.15341	11.7
283.24210	6.8
285.25754	19.4
297.25784	15.2
311.27173	13.4
385.13937	7.1
389.31769	6.2
389.66815	5.9
395.36725	100.0
396.36508	10.1
413.21600	13.2
413.32632	27.6
413.37744	38.2
414.37900	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36222	1.5
51.77431	1.3
53.03925	1.4
55.05499	39.1
56.25947	1.2
57.03424	12.5
57.07065	37.0
67.05487	19.2
69.03435	1.9
69.07053	48.2
71.04977	2.9
71.08617	22.3
73.20604	1.4
79.05476	9.6
81.07039	28.8
83.04948	2.1
83.08605	34.5
85.06513	1.5
85.10170	13.4
87.04430	3.3
91.05471	3.8
93.07034	12.3
95.08587	25.6
97.06509	7.0
97.10159	21.0
101.05984	2.0
105.06995	6.3
107.08582	11.9
109.10115	10.5
111.08059	4.4
111.11700	7.4
115.07579	1.2
119.08553	4.4
121.06516	1.4
121.10117	14.2
123.08064	1.2
123.11691	6.4
125.09618	4.7
127.11172	1.4
131.08560	1.9
133.10115	2.8
135.11694	10.1
137.13263	3.4
139.11148	3.4
143.05997	1.4
143.10648	1.6
145.10098	2.2
147.11624	2.1
149.13208	7.1
153.12718	3.4
159.11671	2.5
161.13190	2.3
163.14784	4.1
164.15338	1.6
164.16969	1.4
167.14317	2.4
167.17830	1.5
173.13252	2.3
175.14737	2.5
177.16342	2.4
181.15875	1.9
185.15416	1.6
191.17960	2.1
195.17494	2.3
196.58794	1.5
209.18906	1.8
223.20543	2.2
228.91702	1.6
237.22202	2.0
242.22885	1.4
303.30295	3.9
321.31464	12.8
395.29828	2.0
395.35086	11.7
397.14679	1.6
398.15146	3.3
412.17130	2.0
413.17917	12.5
413.30655	5.0
413.36160	100.0
414.18533	8.1
414.36417	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	413.2141
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
59.04993	1.4
69.03413	1.0
71.62283	1.0
72.55666	0.5
73.52924	0.6
78.90453	0.7
79.05498	0.6
81.07053	1.0
85.02883	1.5
86.09692	1.5
91.05457	1.0
93.06996	0.9
95.04959	0.6
95.08591	1.4
97.02876	0.7
100.30963	0.7
105.03340	1.4
105.07005	1.4
109.06525	0.7
119.04953	0.9
125.00011	0.8
133.10133	0.7
135.11650	0.6
137.05905	0.6
139.50125	0.6
143.08784	0.6
145.08604	1.4
147.04411	3.9
148.04744	1.7
177.05461	1.2
179.27914	0.6
182.04979	1.1
184.07259	3.5
185.07652	1.0
208.02855	3.5
233.15327	0.8
413.21393	100.0
414.21848	3.6
438.97882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2679
Annotation	Robustol
Peak:m/z	Relative Intensity
50.34049	1.3
51.71323	1.2
53.03921	3.6
55.05504	9.5
57.03419	1.9
57.07052	3.2
57.41227	1.3
61.02885	1.5
61.61240	1.3
62.65494	1.3
65.03905	1.6
67.05492	16.9
69.03418	10.6
69.07062	11.4
69.75362	7.4
70.32506	1.1
71.04952	5.1
79.05480	17.1
80.25304	1.2
81.03384	3.2
81.07047	37.8
82.07381	1.3
83.04946	3.2
83.08583	3.6
85.02885	2.4
85.06507	3.4
85.07008	1.5
91.05460	26.8
93.06462	2.6
93.07027	41.8
95.04926	6.0
95.08036	2.2
95.08588	29.4
97.06532	6.4
97.10149	2.1
99.04417	2.1
99.08035	1.6
103.05417	2.1
104.31916	1.6
105.07015	63.3
106.07326	1.7
107.08574	66.8
109.02827	1.5
109.06512	7.7
109.09449	1.9
109.10136	23.5
111.08035	4.6
113.06039	1.6
115.05455	3.3
115.07580	1.3
116.06170	1.4
117.06986	16.6
118.07756	2.0
119.08562	55.7
120.08868	1.9
121.06487	8.3
121.10122	65.4
123.08013	5.4
123.11658	8.3
125.09607	3.0
126.01640	1.5
127.03841	2.0
128.06184	4.1
129.06981	12.4
130.07678	2.2
131.08553	50.2
132.09276	4.7
133.06500	1.8
133.10110	53.1
135.08047	4.7
135.10809	2.0
135.11673	22.0
137.09555	4.5
137.13191	2.4
139.10007	1.4
141.06944	6.3
142.07742	9.5
143.08539	35.2
144.09271	3.6
145.10098	60.5
146.10774	2.7
147.08038	6.8
147.11667	36.9
149.09601	10.0
149.13208	11.3
151.07375	1.6
151.11151	5.6
153.09099	1.4
155.08508	14.1
156.09293	7.7
157.10106	50.6
158.10799	4.2
159.08105	6.5
159.11665	59.1
160.12161	2.2
161.09578	13.6
161.13252	18.1
163.11166	15.9
163.14752	6.0
165.05475	2.0
165.09073	2.5
165.12778	2.1
167.08492	1.7
167.10571	4.5
168.09334	2.6
169.10088	14.2
170.10822	3.7
171.11662	35.8
172.12260	1.5
173.09570	6.3
173.13219	31.8
175.11147	13.9
175.14812	8.1
177.09096	1.5
177.12685	9.3
177.16283	3.6
179.08290	1.6
179.10619	4.8
179.14285	2.6
181.10052	5.8
181.12228	6.1
182.10828	3.9
183.11629	12.2
184.12411	1.6
185.09534	5.1
185.13232	32.2
186.13745	2.5
187.11101	5.4
187.14771	20.1
189.09076	1.9
189.12759	10.6
189.16315	5.1
191.10576	3.8
191.14259	5.9
191.17857	1.3
193.10115	2.9
193.12187	7.2
194.36868	1.4
195.11647	8.6
195.13573	3.2
197.13223	19.3
198.13910	1.6
199.11122	6.2
199.14799	24.9
201.12772	7.4
201.16357	9.6
203.10626	2.9
203.14276	7.8
205.10356	1.3
205.12151	7.8
205.15785	9.4
207.11647	3.6
207.13589	2.6
208.12294	1.8
209.13336	8.5
211.11188	1.8
211.14763	9.8
213.12694	12.3
213.16290	4.3
215.10591	2.0
215.14249	9.0
217.10188	1.6
217.12259	7.5
217.15765	4.9
219.13760	5.9
219.17603	1.7
221.13126	3.3
221.15172	2.2
223.14723	5.3
225.12749	2.1
225.16246	4.4
227.14224	7.7
227.17935	2.1
229.12193	1.9
229.15871	1.9
231.13756	14.9
233.13264	2.0
233.15331	6.4
235.14851	2.4
237.16376	3.5
239.14169	2.4
239.17876	3.5
241.15852	1.8
243.13754	3.9
245.15265	9.6
247.16969	2.9
251.17810	2.0
253.19481	1.5
255.17230	1.8
259.16986	3.0
261.14514	1.4
265.15799	1.7
265.19443	2.1
267.17383	3.1
271.16739	3.3
275.17892	1.6
277.19626	3.1
279.17334	2.2
295.20447	2.6
307.24127	3.5
313.21854	2.4
321.18546	1.6
321.22021	6.2
321.25363	1.7
325.21771	1.6
331.24170	9.7
333.25833	2.6
335.23547	3.7
339.23141	5.8
349.25198	47.5
350.25461	3.6
351.22913	3.0
351.26688	5.6
353.21118	1.3
353.24713	9.8
359.23630	7.5
367.21765	3.1
367.26285	60.0
368.26520	3.7
369.27740	4.4
373.24747	1.3
377.24673	51.0
378.25189	3.3
395.25729	63.5
396.25912	4.4
413.22269	5.9
413.26688	100.0
414.27103	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	413.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.1
55.01854	3.3
55.05484	5.2
56.96553	8.1
57.03415	9.2
58.99860	2.3
59.04986	2.7
61.02916	9.5
68.05004	3.2
69.03413	29.0
70.03754	3.1
70.06569	7.2
70.36010	9.6
71.01342	2.2
71.04969	7.4
73.02905	7.8
73.06550	3.3
74.06080	4.2
77.00916	3.2
81.03404	10.4
81.07047	3.7
83.04971	3.8
84.08156	3.8
85.02890	68.2
85.06530	4.5
86.03211	2.6
86.06065	5.4
87.04449	7.8
89.03926	5.0
89.84057	2.0
91.03931	4.7
91.05477	6.9
93.07041	6.7
95.04970	4.4
97.02871	30.6
97.06520	2.4
98.03164	2.8
98.85138	2.0
98.97578	11.2
99.04408	4.9
101.00874	15.1
103.05466	5.4
105.00347	3.1
106.06538	2.2
107.04935	4.5
108.08139	2.6
109.02869	7.7
110.07169	5.9
110.14920	2.3
113.00883	4.2
113.02391	2.8
114.05514	6.5
115.02418	5.2
115.03916	10.9
116.07108	2.1
116.98598	6.4
117.03342	4.6
117.05587	2.4
119.01898	60.3
119.04946	9.5
120.02023	2.6
121.01620	4.9
121.02844	25.8
121.06485	100.0
122.06820	5.0
123.04403	3.2
127.03887	24.1
129.05501	2.9
130.08592	3.6
131.01877	28.1
132.01915	3.2
132.05269	2.3
133.01657	2.5
133.03462	18.6
134.06021	2.5
134.99686	3.1
135.04436	7.3
136.06194	14.7
136.07217	2.1
137.02974	10.7
137.05984	8.0
138.09116	26.7
138.82529	2.2
139.02499	3.0
139.03894	3.9
139.09511	3.2
140.03372	2.8
141.17877	2.4
143.01862	25.7
145.01654	3.0
145.03447	16.3
145.04878	16.7
147.01308	2.6
147.04305	18.8
149.02925	6.4
149.06728	2.5
151.04572	3.9
152.07112	3.8
153.03949	2.6
155.01848	17.9
157.01543	2.8
157.03493	15.2
158.03554	3.4
158.99585	3.6
159.03192	2.9
160.06529	5.2
160.56645	6.7
161.01424	2.7
161.02931	42.7
161.06641	2.7
162.03107	4.9
163.02596	3.5
163.03848	46.2
164.04253	5.6
167.07056	12.0
169.03438	4.8
169.56967	2.3
171.05109	5.4
173.02946	35.1
173.06599	8.3
174.03032	3.5
174.04614	2.4
175.02921	2.2
175.04427	10.6
177.00671	4.0
177.05559	2.1
179.01956	2.8
181.03461	7.5
183.04970	5.3
184.05885	3.2
185.03000	7.0
185.06538	11.8
187.04436	4.2
189.02275	2.9
189.03943	3.5
189.06085	3.9
190.04948	3.5
191.07578	4.0
195.04984	5.2
196.04291	5.3
197.02998	6.9
197.06496	3.0
198.98544	2.5
199.04558	17.1
201.06064	4.1
203.03958	10.8
203.07625	3.6
205.03448	5.1
205.60126	3.2
207.03291	4.1
207.05052	11.6
211.04536	3.8
213.06120	4.3
214.05644	2.7
215.04013	2.8
215.07700	5.1
217.03528	3.9
218.09329	2.2
219.01808	4.1
219.05177	3.8
219.07761	5.3
221.03008	4.4
221.04942	22.4
221.06956	2.8
222.03647	5.8
223.04538	39.4
223.06616	7.2
224.04597	2.4
225.06136	21.0
227.04105	6.2
229.03561	4.3
232.58496	2.6
233.03087	3.2
233.09184	10.2
235.04486	50.1
236.04745	3.5
237.02713	5.2
237.06023	17.8
239.04053	6.7
241.05406	11.8
241.59309	4.0
242.08797	4.1
244.06827	3.5
245.05009	17.1
247.04482	30.4
249.06038	8.4
250.03210	4.0
251.03964	21.5
251.10188	8.3
251.13916	3.9
253.05647	8.4
255.07162	4.7
257.05139	2.9
259.04428	4.5
261.02576	2.3
261.06027	2.3
263.03912	38.2
263.06363	3.2
265.05353	37.3
265.07645	5.6
267.03433	8.9
267.07367	2.9
269.05060	19.4
271.06583	4.8
275.03918	24.4
275.06430	2.7
275.09540	11.3
276.04169	2.7
277.05545	8.5
279.07028	2.9
281.04993	49.8
281.09753	5.2
282.05304	3.8
283.06787	10.3
286.62729	8.3
293.05057	74.3
293.10681	20.7
294.05252	5.2
295.06976	2.4
295.10635	3.3
298.05469	2.6
299.06134	3.6
304.06387	2.8
305.05014	16.8
309.08658	3.0
311.06079	64.7
311.08884	2.3
312.06503	5.5
317.05093	2.9
319.08740	4.1
323.06067	15.7
323.09418	3.2
329.07111	5.0
334.07480	3.7
335.05902	11.8
353.07120	51.4
356.67050	2.5
367.10760	9.1
368.11017	3.5
371.08212	45.7
372.08401	4.9
389.09210	67.8
390.09622	3.8
394.09473	5.8
398.86615	2.3
412.10782	9.5
413.07773	2.8
413.13321	29.7
413.19589	5.0
414.12704	2.7
414.17813	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	412.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	1.0
53.73415	0.8
53.90411	0.9
55.01862	1.5
55.05495	1.1
55.46630	1.0
57.03429	25.1
57.04245	0.9
57.07056	1.4
59.16240	0.9
61.02918	11.2
64.46938	1.1
66.74084	0.8
69.03420	26.5
70.19387	4.0
71.01340	2.1
71.04973	2.8
73.02910	50.4
78.28644	1.1
81.03404	5.6
83.08603	3.1
84.04504	1.2
85.02897	100.0
85.06522	2.5
86.09686	1.2
87.04446	3.7
91.03933	4.0
94.55143	0.8
95.08607	1.3
97.02882	48.4
99.04433	4.2
103.03893	1.9
109.02876	10.1
115.03918	30.0
127.03909	31.9
128.04176	1.1
132.06590	1.1
133.04956	10.6
145.04942	60.9
150.07587	1.7
162.07474	1.2
163.06000	45.4
184.07283	3.4
193.04800	1.3
197.11711	1.3
223.06038	4.7
229.10583	1.0
241.07117	5.1
245.13766	1.3
259.08151	7.0
263.14880	20.7
288.14954	0.9
295.10095	7.3
332.24841	1.0
349.29132	1.1
412.20120	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	412.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76023	0.9
54.71358	0.8
55.05499	6.5
57.03428	1.3
57.07065	12.0
59.04990	73.0
60.05295	0.8
61.02904	0.9
67.05470	2.9
69.03420	13.7
69.07055	33.1
69.54198	6.3
69.54623	2.1
71.08617	7.8
73.06536	13.0
77.06015	4.3
79.05437	1.0
81.03400	1.7
81.07024	1.7
83.08588	1.9
85.02885	12.3
85.10157	2.9
87.04452	12.7
93.06994	1.6
95.08588	1.3
97.02857	3.4
98.03174	0.9
99.04424	1.6
105.05483	30.5
105.07011	2.3
106.00645	0.9
107.08589	1.0
109.02871	1.6
109.10098	1.9
111.11697	35.4
112.12022	1.9
117.05426	1.1
119.08509	1.6
121.10116	1.4
123.06569	2.0
125.01674	0.9
127.03878	2.8
129.12732	100.0
130.13033	2.5
137.02298	3.3
137.03319	1.0
145.04912	4.2
145.10150	0.9
146.06006	1.1
163.06017	1.4
197.13283	1.3
215.16324	2.9
232.74992	0.9
233.15390	1.0
233.17389	5.1
260.68033	1.0
287.51907	0.9
306.59650	1.0
315.04874	4.9
327.04910	1.1
367.08133	1.2
395.07428	5.8
413.08539	8.6
413.21112	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01868	5.7
55.05504	1.6
57.03431	15.0
59.04992	2.1
61.02920	12.6
69.03423	27.4
69.07044	0.8
69.94456	1.4
69.94868	2.8
70.00956	0.7
71.01344	2.1
71.04984	2.3
73.02910	66.2
79.05475	1.0
81.03415	5.7
81.07046	0.9
83.04986	1.1
83.08611	2.2
85.02897	100.0
86.03231	1.5
87.04449	2.9
91.03952	3.1
91.05470	0.9
95.04960	1.0
96.04539	0.8
97.02882	51.7
98.21385	1.0
99.04417	4.3
103.03924	3.3
107.04895	1.0
109.02860	8.1
111.04479	0.9
115.03919	26.2
123.04414	1.0
126.09167	3.6
127.03904	31.9
127.09490	1.5
131.04854	1.0
133.04955	36.2
137.05956	1.3
140.81516	0.7
145.04947	51.8
150.07637	2.5
159.29213	0.8
163.06006	29.0
181.05058	0.9
197.11739	2.7
199.05992	1.2
215.12683	1.1
217.07036	1.2
217.81056	0.8
223.05995	6.2
233.13811	1.8
241.07077	7.9
250.11154	0.9
259.08087	13.3
263.14862	10.5
277.09189	2.9
291.13113	0.8
295.10245	7.7
373.08945	0.9
388.11249	0.8
412.12796	6.7
412.20477	2.7
413.13998	1.0
430.07724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01853	2.2
55.05493	3.4
57.03426	30.9
59.04983	2.1
60.04514	1.0
61.02915	12.9
67.05470	1.0
69.03418	44.5
70.41605	2.8
71.01328	2.1
71.04976	6.3
73.02905	58.9
79.05458	1.2
81.03400	5.7
81.07043	1.6
83.04943	1.5
83.08602	6.7
85.02890	100.0
86.03172	0.9
86.09689	2.5
87.04449	18.1
91.03922	4.0
93.07016	1.2
95.04956	0.9
95.08572	1.3
96.04501	1.4
97.02874	57.6
97.06512	1.8
98.03201	0.8
99.04429	4.5
101.09653	1.7
103.03914	2.0
103.05381	1.0
104.10726	3.6
107.08566	1.2
109.02844	6.6
109.10143	0.9
111.04399	1.3
111.08065	2.8
113.09590	2.0
115.03910	57.6
119.08533	1.2
121.06511	1.3
122.29556	0.8
123.08099	1.6
125.09639	1.0
127.03894	25.2
129.09082	1.5
133.04939	37.7
133.10052	1.0
135.08023	1.1
139.07556	4.7
139.08482	0.8
141.09055	2.0
144.06493	1.3
144.59250	1.1
145.04933	43.5
147.04372	1.1
149.09555	0.8
150.07611	6.7
151.07523	1.6
163.03859	1.0
163.05995	23.2
167.10612	2.5
170.29604	0.8
176.30757	0.8
179.10701	1.9
184.07346	2.7
193.04933	0.9
197.11749	2.3
209.11713	3.7
215.12781	1.5
217.07045	0.9
223.05974	4.0
227.12701	2.3
233.13756	0.8
238.19557	0.9
241.06989	6.0
245.13826	5.5
259.08096	7.2
263.14828	7.9
265.89804	0.9
277.09274	1.3
295.10172	6.0
412.20767	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.9
55.01851	7.7
55.05490	2.9
57.03421	18.4
59.04987	2.2
61.02916	14.9
69.03415	29.8
69.82392	9.1
70.43887	1.6
71.01340	5.8
71.04973	6.7
73.02902	85.1
73.14923	1.4
81.03394	8.3
83.08601	5.5
85.02888	100.0
87.04447	6.5
91.03944	2.9
95.08571	1.7
97.02876	56.9
99.04436	4.9
101.09641	1.9
103.03909	2.0
109.02847	7.9
111.08043	2.6
115.03905	31.6
121.06515	1.6
127.03888	31.7
133.03990	2.6
133.04942	38.7
139.07530	2.3
141.09103	1.9
145.04933	54.4
147.04346	1.9
150.07584	4.2
155.10634	1.8
163.05977	30.7
185.14897	1.5
193.04819	1.7
194.24257	1.7
199.05998	1.6
209.11609	1.7
211.05962	1.8
215.12773	3.7
217.07025	3.2
223.05962	7.6
233.13705	2.4
241.07028	6.7
245.13809	2.3
259.08078	17.3
263.14859	9.0
277.09146	3.1
295.10233	6.4
307.61334	1.7
409.71573	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3616
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03911	2.7
55.05496	12.1
57.07065	6.0
66.51926	2.7
67.05495	21.6
69.07059	19.8
71.08622	4.4
79.05482	10.9
81.07047	49.9
83.08593	9.2
91.05463	9.3
93.07035	37.1
94.60397	2.2
95.08596	66.2
97.10118	7.7
99.87529	2.2
105.07021	18.8
105.84309	2.4
107.08581	54.8
109.06535	3.2
109.10146	51.1
109.10828	4.8
111.11716	3.6
114.08823	2.8
117.07042	2.5
119.08577	35.2
121.10129	50.8
123.11679	22.3
131.08565	6.9
133.10124	30.6
135.11656	46.0
137.04863	3.1
137.13261	6.1
145.10118	12.1
147.11656	22.3
149.13228	24.6
151.07483	3.2
157.10039	4.4
159.11674	14.9
161.13188	15.0
163.14796	21.3
165.16324	4.0
171.11748	3.3
173.13206	12.4
175.14816	9.1
177.16399	15.0
185.13264	4.2
187.14749	14.8
189.16400	9.0
191.17976	9.4
195.22739	2.3
201.16350	10.8
203.17900	11.8
205.19438	3.7
213.16273	4.5
215.17952	12.8
217.19514	10.0
227.17957	3.0
229.19540	9.1
229.27490	2.6
231.21082	13.1
233.18872	3.3
241.19600	4.1
243.21059	14.4
245.22675	12.3
247.20497	2.7
255.21135	10.0
257.22592	14.8
259.24106	3.4
261.22134	3.9
269.22665	9.8
271.24207	10.9
273.22333	4.0
287.23935	3.3
289.96140	2.3
351.30524	4.3
380.65900	2.4
393.35071	40.2
411.32227	4.8
411.36182	100.0
412.36353	3.2
431.18796	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	411.3611
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05490	14.0
57.07049	9.7
66.68142	4.1
67.05493	34.8
69.07059	21.9
71.67680	4.4
79.05479	14.4
81.07040	65.9
83.08627	10.0
91.05461	19.9
93.07021	40.1
95.08588	100.0
97.10143	12.6
105.07018	34.0
107.08583	69.2
109.10116	59.3
111.08078	7.8
119.08568	48.0
121.10116	55.3
123.11684	22.5
131.08560	10.0
133.10117	42.3
135.11676	44.0
143.08455	6.0
143.44518	4.2
145.10103	16.5
147.11638	28.0
149.13225	30.7
151.11122	7.3
157.10219	4.9
159.11636	23.3
161.07674	4.7
161.13234	33.2
163.14787	46.0
171.11722	6.2
173.13243	13.2
175.14774	56.1
177.16402	23.3
187.14795	16.9
189.16313	31.9
191.17871	34.7
201.16362	18.8
203.17926	62.9
207.17404	13.9
215.17973	24.9
217.19412	10.4
229.19434	9.1
231.20952	11.4
233.18941	8.8
244.92944	5.0
257.22534	7.3
269.22635	5.5
303.32330	4.9
351.30423	8.9
393.35025	49.8
411.36230	68.9
412.36588	5.0
432.49759	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	411.3615
Annotation	7-Dehydrofucosterol
Peak:m/z	Relative Intensity
55.05498	8.3
57.07062	10.7
67.05493	14.9
69.07062	24.8
71.08618	9.6
71.62746	3.7
79.05483	7.6
80.64507	2.5
81.07048	29.9
83.08601	8.0
85.10183	8.9
91.05483	14.5
91.06010	2.6
93.07019	14.2
95.08591	40.3
97.10152	10.1
105.07012	21.8
107.08574	7.6
109.10136	16.7
111.11668	6.8
117.07036	5.7
119.08559	15.7
121.10136	9.2
123.11710	9.4
125.13213	3.4
129.07021	5.7
131.08551	11.1
133.10120	13.1
135.11719	7.8
142.07738	5.4
143.08537	7.0
144.09285	3.0
145.10080	24.0
147.11697	17.0
149.13264	5.9
157.10112	23.0
159.11674	23.7
161.13248	7.2
163.11172	3.0
163.14809	2.6
165.16426	2.6
169.10062	3.3
171.11736	7.5
173.13234	10.6
175.11180	24.3
176.87413	2.4
183.11711	5.0
185.13231	6.9
187.14801	6.7
189.12657	2.8
197.13283	3.1
199.14757	4.6
201.16251	3.7
211.14864	4.0
213.16469	4.6
225.16499	3.3
229.19531	3.2
239.18025	6.0
243.17545	2.8
253.19574	7.2
267.20978	2.9
271.20462	4.5
272.62827	2.6
295.24185	3.7
338.86353	2.4
383.36926	5.9
393.35056	33.9
411.36176	100.0
412.36404	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	411.3613
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
52.57589	1.3
55.05505	4.5
57.07064	2.3
66.30205	1.5
67.05167	1.5
67.05484	10.7
69.07058	11.9
70.22075	6.8
71.08614	1.7
79.05467	8.7
81.06574	2.2
81.07043	33.0
83.08602	5.4
91.05470	4.6
93.07031	17.9
95.08595	47.0
97.06483	2.0
97.10175	3.0
105.06992	11.6
107.08568	33.0
109.10139	25.9
111.08080	2.2
111.11657	1.5
119.08572	18.7
121.10139	27.3
123.08036	1.8
123.11674	10.3
131.08559	2.4
133.10123	18.4
135.11665	16.2
137.13197	5.0
145.10124	4.9
147.11678	12.7
149.13211	13.0
159.11696	4.5
161.13222	10.6
162.74675	1.5
163.14790	10.9
173.13243	5.7
175.14830	8.6
177.16359	30.3
179.14418	2.7
187.14775	3.8
189.16347	9.7
191.17931	6.8
201.16330	4.0
203.17946	10.6
213.16403	1.8
215.18019	4.5
217.19545	7.0
229.19466	3.8
231.21042	6.7
243.21097	4.8
245.22539	2.0
247.20610	7.2
255.21126	3.6
257.22623	4.8
269.22519	2.7
271.24078	3.7
318.20917	1.8
393.35162	18.5
411.36169	100.0
412.36603	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3612
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.02387	2.9
55.05500	35.2
57.07061	40.5
58.13686	2.6
67.05494	36.7
69.07050	57.8
70.03283	15.8
70.03642	4.7
71.08620	14.3
79.05467	24.5
81.07037	100.0
83.08597	70.3
85.10170	7.5
91.05446	32.2
93.07026	83.5
95.04945	8.0
95.08585	70.0
97.10139	19.2
98.21393	3.8
105.07001	59.8
105.29973	2.6
107.08563	54.7
108.04512	2.6
109.10131	76.3
111.08018	3.1
111.11705	5.5
117.06992	13.0
119.08563	37.5
121.10117	36.4
123.11707	15.8
125.09579	5.0
125.13261	4.9
127.11166	12.1
129.06964	6.4
131.08521	25.4
133.10106	36.4
135.11670	25.3
137.13255	6.9
139.11169	7.8
142.07770	8.2
143.08556	16.1
145.10104	44.1
145.11137	4.8
147.11667	34.5
149.13257	13.8
151.14873	3.1
153.12674	4.2
155.08588	6.4
157.10077	36.7
159.11658	36.0
161.13216	23.2
163.14815	9.7
169.10127	10.7
170.10664	4.7
171.11682	19.8
173.13197	23.4
175.14809	16.7
177.16354	9.4
183.11632	9.5
185.13260	18.4
187.14775	19.8
189.16377	9.3
191.17964	7.9
197.13173	13.7
199.14771	19.6
201.16342	12.5
203.17938	8.7
209.18965	40.9
211.14806	11.6
213.16373	17.1
215.18013	16.6
225.16295	7.1
227.17909	3.3
229.19576	3.8
239.17917	10.4
241.19543	4.3
243.21103	3.7
252.18871	3.8
253.19495	43.7
255.21008	35.3
267.21045	3.3
271.20630	4.1
281.22571	5.4
283.24277	14.3
295.24115	5.6
309.25687	3.6
393.27283	5.1
393.35068	81.5
411.27893	13.7
411.36288	69.6
411.74283	4.9
412.36655	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	411.3611
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03931	2.4
55.05494	9.5
57.07066	4.1
57.15564	2.0
59.46038	2.0
63.79566	2.1
67.05489	24.6
68.79957	2.2
69.07060	19.5
69.37901	5.0
69.38305	18.5
73.69859	2.0
73.71816	2.3
76.85765	2.1
79.05471	11.9
81.07038	53.5
83.08605	11.9
91.05447	15.3
93.07022	33.4
95.08589	100.0
97.10152	5.1
105.07016	28.9
107.08570	49.2
109.06552	3.4
109.10135	58.0
119.08571	40.6
121.10120	47.0
123.11683	18.2
125.09667	2.6
131.08568	7.2
133.10098	38.0
135.11661	49.8
136.11943	3.0
137.13211	2.7
145.10097	13.2
147.11670	28.2
149.13252	24.5
151.11189	3.3
157.10127	4.2
159.11679	19.9
161.13229	28.4
163.14774	22.3
171.11615	4.2
173.13240	14.5
175.14801	50.6
177.16364	22.5
179.14279	4.5
185.13235	3.2
187.14786	12.0
189.16368	39.0
191.17908	28.4
193.15926	4.2
199.14851	3.9
201.16368	22.6
203.17909	37.3
204.18231	3.0
205.16032	3.4
205.19518	5.0
206.28590	2.4
207.17403	42.9
213.16399	2.3
215.17914	16.3
217.19508	9.6
219.17473	3.0
221.18994	3.0
229.19460	12.9
231.20961	7.7
233.18950	5.7
241.19318	3.9
243.21030	8.8
245.22668	4.3
247.20573	3.4
255.21097	6.7
257.22604	9.7
283.24200	3.1
287.23553	3.2
290.67078	2.4
297.25656	10.9
315.26877	8.5
316.98383	2.2
341.28217	3.6
342.78229	2.2
351.30389	8.4
393.35083	48.2
411.16364	4.2
411.32242	5.3
411.36261	70.7
412.36490	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3615
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03934	2.2
55.05498	7.5
57.07062	2.7
65.01388	0.9
67.05499	21.8
68.88513	1.0
69.06722	1.1
69.07063	16.3
69.44992	10.2
79.05484	16.0
81.07048	43.0
83.08602	8.1
85.06523	1.6
91.05473	13.4
93.07034	44.4
95.04929	2.2
95.08597	100.0
95.47598	1.1
96.08912	2.2
97.06510	1.2
97.10141	4.1
105.07013	22.7
106.82770	1.0
107.08582	77.8
108.08929	1.6
109.06490	2.4
109.10143	44.7
111.08070	2.7
117.07038	1.6
119.08568	39.2
121.10128	53.3
123.08043	1.6
123.11686	15.1
125.09586	1.9
131.08556	4.8
133.10117	26.0
135.11670	31.0
137.09657	1.2
137.13205	5.4
145.10091	8.5
147.11667	21.3
149.13240	30.6
151.07552	2.3
151.11156	1.1
153.12662	1.1
157.09993	1.1
159.11690	9.6
161.13237	22.1
163.11168	2.0
163.14806	68.4
164.15149	1.5
165.12769	2.3
165.16364	1.2
173.13261	5.9
175.14795	23.5
177.12790	1.3
177.16362	20.2
179.14326	7.1
181.15877	2.6
185.13286	1.2
187.14793	11.7
189.16379	28.1
191.17928	16.2
193.15982	1.2
199.14804	1.7
201.16357	7.3
203.17940	34.3
203.55011	1.0
205.15781	2.2
205.19405	4.9
207.17413	9.9
213.16382	2.2
215.17949	5.8
217.19505	7.1
219.17447	2.2
221.19041	1.4
227.17931	2.0
229.19530	4.7
231.17580	1.1
231.21072	17.1
233.19035	5.4
233.22606	2.5
241.19559	3.2
243.21075	2.2
247.20581	2.0
255.21074	1.3
257.22742	1.4
261.21988	1.2
269.22699	1.4
297.25772	16.6
298.26321	1.2
315.26791	8.3
323.27563	1.7
341.28427	3.0
393.35080	14.1
394.34906	1.0
411.36188	96.4
412.36502	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	411.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
55.05255	0.6
55.05505	5.8
55.44469	0.5
57.03419	1.2
57.07055	2.0
65.03933	0.8
67.05166	1.0
67.05497	13.1
69.03401	1.3
69.06725	0.5
69.07059	8.4
71.04982	4.1
77.03916	0.7
79.05476	11.3
81.07045	31.7
82.07368	0.5
83.04948	1.3
83.08614	4.9
83.96133	0.5
85.06053	0.7
85.06525	8.1
91.05466	10.7
92.05791	0.6
93.07033	25.2
95.04941	2.1
95.08594	51.7
96.08884	1.1
97.05911	0.6
97.06518	9.5
97.10144	2.0
99.08055	2.1
103.05487	0.8
105.07014	27.0
106.43276	0.6
107.08577	30.5
108.08871	0.7
109.06513	2.6
109.10140	22.1
111.08072	7.0
111.11685	0.6
113.09624	15.4
115.05402	0.9
117.06971	3.8
119.08563	35.6
119.79677	0.6
120.08920	1.0
121.06483	7.9
121.10123	22.8
122.10404	0.7
123.08057	6.4
123.11694	7.4
125.09597	1.8
128.06165	1.3
129.06964	3.3
130.07768	0.7
131.08554	13.8
133.06435	0.8
133.10109	27.0
134.10434	0.6
135.08037	3.7
135.10661	1.1
135.11665	14.4
136.12024	0.5
137.09599	2.1
137.13258	2.8
139.11121	1.0
141.06943	0.7
142.07732	2.4
143.08534	9.6
144.09309	1.2
145.06395	0.6
145.10103	18.7
146.07146	0.7
147.06914	0.8
147.08031	12.4
147.11671	19.6
149.09608	8.0
149.13239	13.4
151.11165	1.0
155.08533	3.2
156.09319	3.1
157.10107	13.9
158.10805	0.7
159.08025	1.2
159.11671	17.0
160.08759	0.7
160.12091	0.7
161.09608	13.9
161.13226	14.4
162.10263	0.7
163.11166	11.8
163.14780	7.8
165.12737	0.9
169.10110	3.1
170.10849	1.1
171.11674	12.2
172.12364	0.8
173.09666	2.5
173.13234	11.0
174.10419	0.7
174.13629	0.6
175.11162	18.6
175.14798	11.6
176.11792	1.3
177.12744	5.2
177.16365	5.4
179.14272	0.5
181.10086	0.6
183.11618	3.9
185.13242	10.7
187.11217	3.0
187.14790	12.4
189.11037	1.3
189.12717	19.4
189.16333	10.7
190.13287	1.4
190.16704	0.5
191.14282	6.5
191.17960	1.0
193.15872	2.5
195.11653	0.7
197.13167	2.6
199.14810	8.7
201.12733	3.1
201.16342	5.1
203.14273	14.2
203.17894	3.8
205.15843	4.3
205.19356	0.6
207.17476	6.6
209.13243	1.0
211.14825	2.5
213.16371	3.3
215.14273	2.0
215.17903	1.9
216.06116	0.6
217.15831	9.0
217.19519	1.4
219.17444	3.8
221.13136	0.8
221.18938	1.1
223.14786	0.9
225.16440	2.9
227.17897	2.3
229.15869	1.9
229.19472	1.1
230.15646	0.6
231.17484	1.7
231.21063	1.3
233.18962	2.2
239.17929	2.2
243.17325	3.0
245.18942	1.3
247.20450	1.1
251.17879	1.3
253.19543	1.3
257.18887	1.3
259.20776	0.7
267.16998	0.5
267.21121	1.2
271.20486	1.6
279.20923	0.6
281.22525	2.1
283.20563	0.9
285.22034	2.3
287.23575	1.3
297.22174	1.3
299.23602	2.6
301.25168	0.8
305.22687	0.5
311.23578	0.8
323.23563	0.6
335.27267	0.8
337.25110	1.1
339.26880	0.7
353.28329	1.0
365.28226	0.9
375.30173	2.2
393.31461	27.7
394.31873	2.8
411.32492	100.0
412.32898	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	411.2884
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
53.03912	1.8
55.05496	13.7
57.03412	3.1
57.07060	3.3
65.03930	1.7
67.05493	24.4
69.03441	3.1
69.07046	12.2
71.04967	1.9
71.63057	3.7
77.46640	1.9
78.77306	2.4
79.05485	20.1
81.07040	51.9
83.04953	2.1
83.08604	6.3
85.06521	10.2
91.05457	27.1
93.07029	39.2
95.00991	2.0
95.04921	4.0
95.08588	48.5
96.05286	2.3
96.08932	2.0
97.06487	5.3
97.10133	4.2
105.07007	73.3
106.07339	2.1
107.08572	48.6
109.06470	5.3
109.10127	22.8
111.08047	4.3
117.06995	14.0
119.08557	54.8
121.06480	4.1
121.10122	27.7
123.08019	5.1
123.11669	11.2
128.06201	5.5
129.07004	8.7
131.08536	37.8
133.10104	44.9
135.08046	4.0
135.11653	13.5
137.09636	1.9
137.52979	1.9
141.07051	2.4
142.07780	5.6
143.08545	24.1
144.09334	3.3
145.10098	45.2
147.07980	3.4
147.11659	42.2
149.05962	2.0
149.09576	3.8
149.13219	33.6
151.11092	3.1
153.09099	3.2
155.08498	8.4
156.09335	3.3
157.10109	28.7
159.11658	56.4
160.12167	2.3
161.09557	3.8
161.13216	60.4
162.05223	1.6
162.13525	2.6
163.11159	3.7
163.14796	11.2
169.10071	12.3
170.10912	3.4
171.11635	19.8
173.09560	2.2
173.13217	25.5
175.11179	4.5
175.14784	22.2
177.12808	3.9
177.16341	6.2
181.10106	3.9
183.11682	9.2
185.13208	18.8
187.11209	4.7
187.14771	25.5
189.12656	3.9
189.16310	10.8
193.12212	2.8
195.11696	5.0
197.13255	8.8
199.13229	2.6
199.14792	14.0
201.16345	16.4
203.10605	2.2
203.14359	3.0
203.17882	6.3
205.12120	4.7
205.15857	2.1
209.13290	5.4
211.14792	7.1
213.12885	2.3
213.16351	7.4
215.17969	6.3
217.12239	4.7
217.15843	3.7
221.15176	2.9
223.14859	2.9
224.15448	2.1
225.16354	5.8
227.17897	5.6
229.12370	2.4
231.13765	12.9
233.15305	3.6
237.16290	4.9
239.17973	6.1
241.19516	3.0
243.13768	3.8
245.15334	4.8
253.19499	3.6
257.15283	3.0
259.04980	2.3
265.19254	1.9
287.16003	2.1
293.04181	2.2
319.24188	3.9
337.25592	2.8
347.27200	12.2
349.28784	2.7
365.28247	15.6
375.26730	5.9
393.27765	50.3
393.32431	3.2
394.28122	2.5
411.28821	100.0
412.29254	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	411.2888
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
53.03913	2.6
55.05479	9.6
63.03847	2.5
65.13774	2.8
67.05498	17.5
69.07058	15.6
71.04983	2.5
71.62398	2.9
75.42017	2.1
79.05481	16.7
81.07049	43.4
83.08581	7.8
85.06501	5.6
86.76080	2.3
91.05456	18.3
93.07028	42.7
95.04971	2.8
95.08594	40.6
96.08900	3.1
97.06479	5.9
97.10125	5.3
97.97571	2.7
105.07017	73.3
106.07323	3.5
107.07883	2.9
107.08575	44.6
109.06451	6.1
109.10133	26.4
111.08019	3.9
111.78911	2.6
113.09546	4.0
117.07005	14.7
119.07800	4.2
119.08569	60.3
121.06438	4.0
121.09454	2.5
121.10128	28.7
123.08022	4.2
123.11654	9.8
126.25581	2.3
128.06131	4.0
128.91399	2.4
129.06946	8.0
131.08553	26.0
133.10117	50.0
135.07945	3.6
135.11685	16.7
137.13196	3.3
142.07721	4.7
143.08539	22.0
144.09320	4.1
145.09070	3.1
145.10103	43.4
147.11678	48.7
149.09515	4.5
149.13220	28.3
151.11139	2.4
155.08463	8.2
156.09265	3.8
157.09154	2.1
157.10110	24.4
158.10808	4.0
159.11676	56.1
160.11943	2.7
161.09569	3.3
161.11978	4.3
161.13231	78.1
163.14827	11.7
167.08389	3.2
169.10028	10.7
170.10716	3.8
171.11696	19.6
173.09515	4.2
173.13231	31.5
175.11163	5.0
175.14803	28.2
177.16223	7.6
183.11617	8.5
184.07272	3.1
185.13257	16.5
187.11089	2.8
187.14796	27.9
189.12689	7.2
189.16330	18.8
191.10570	4.5
195.11577	7.2
197.13110	6.0
199.14761	13.5
201.12781	2.8
201.16389	16.5
201.17892	3.1
203.14178	6.4
203.17928	11.4
205.12138	4.2
206.16150	3.9
207.17473	2.3
209.11572	3.9
211.14719	7.2
213.16315	8.0
215.17787	7.4
217.12173	4.1
217.19414	3.2
219.13762	2.8
225.16219	5.2
227.17941	3.1
229.12054	4.7
229.25401	2.9
231.13722	9.9
233.15227	2.8
241.19431	5.2
245.15236	6.0
251.17798	3.1
257.15146	2.9
261.14716	4.0
347.27090	6.7
365.28192	9.1
375.26556	4.9
393.27570	32.7
393.31769	3.6
411.28592	100.0
412.29016	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2884
Annotation	Sinensiaxanthin
Peak:m/z	Relative Intensity
53.03931	1.9
55.05499	9.8
55.80423	1.4
57.03428	2.0
57.07061	4.1
67.05491	16.2
69.07059	13.4
69.07414	2.7
70.13198	6.8
76.09734	1.4
76.56786	1.5
79.05472	14.5
79.25076	1.7
81.06570	2.8
81.07039	44.6
83.08599	12.3
85.06527	7.8
91.04960	2.0
91.05469	20.8
93.06461	3.4
93.07026	41.6
95.04969	2.5
95.08590	42.6
96.08935	2.0
97.06480	2.7
97.10143	1.8
105.07011	59.4
107.08574	44.9
108.08891	2.3
109.06456	3.6
109.10127	22.0
110.10461	2.5
111.07994	2.1
117.06986	11.7
119.08553	49.8
120.08910	1.9
121.06379	1.5
121.10121	30.6
122.10437	2.2
123.08067	2.1
123.11704	9.0
128.06288	2.3
129.06993	8.7
130.07713	3.3
131.08545	32.2
133.10106	38.4
135.11670	17.5
137.13226	2.6
141.06935	3.2
142.07764	5.0
143.08530	20.5
144.09325	2.9
145.10104	41.3
147.11667	42.2
149.13225	22.9
150.13527	2.2
151.14777	2.6
155.08583	6.2
156.09378	3.3
157.10104	27.4
159.11664	50.5
161.09615	3.8
161.13229	63.1
163.14799	10.9
165.12666	2.2
169.10101	7.5
171.11623	18.5
173.09572	2.5
173.13234	35.0
175.11205	4.3
175.14796	25.5
176.15091	2.1
177.12727	4.4
177.16374	10.6
181.10072	2.5
183.11700	7.7
184.12387	1.6
185.13228	19.1
187.11180	2.8
187.14790	22.3
189.16371	17.8
191.10701	2.9
191.17949	2.9
195.11607	3.7
197.13239	9.6
199.11104	2.6
199.14778	11.6
201.16379	14.8
203.10638	3.5
203.14279	4.7
203.18045	9.2
205.12119	3.3
205.15894	3.0
206.16246	2.7
209.13283	4.2
211.14766	6.4
213.16306	8.1
215.17918	5.8
217.12177	5.8
217.15912	2.8
217.19550	3.6
219.13805	2.9
223.14723	4.1
225.16364	6.4
227.18027	3.0
229.12242	2.7
231.13814	10.8
233.15230	3.2
237.16342	4.2
239.17870	5.3
241.19449	4.7
243.13817	3.1
245.15422	5.3
249.14697	2.5
253.19460	4.5
255.20985	4.0
257.15289	2.5
271.17038	2.2
277.19482	2.5
291.20868	2.5
297.18442	2.6
337.25137	2.6
347.27301	8.8
349.28769	4.2
365.28308	14.0
375.26752	5.1
393.27817	45.1
393.35211	5.2
394.28299	4.6
411.28845	100.0
411.35635	10.6
412.29266	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01863	2.3
57.03433	3.5
58.99861	0.7
59.46962	0.7
61.02917	3.3
65.03899	0.8
69.03415	11.6
70.06578	3.3
71.04993	1.4
71.35382	0.7
72.08119	0.9
73.02903	3.7
77.00909	2.7
81.03397	5.5
81.07056	1.1
82.99874	0.8
83.01311	1.1
83.04977	1.5
84.08147	0.8
85.02886	21.6
86.03230	0.9
87.04453	1.6
91.03936	2.0
91.05441	1.5
95.01930	1.2
97.01370	0.9
97.02872	9.5
97.06496	0.7
99.04451	1.9
99.46734	0.6
101.00852	14.7
101.01470	1.0
102.00941	0.8
103.00609	1.3
103.02426	1.0
105.07005	0.8
107.04923	1.0
107.82809	0.7
108.60237	0.7
109.02870	3.1
111.04466	1.0
113.00851	0.8
115.02443	3.9
116.07050	2.1
118.29169	0.6
119.01897	68.2
119.04917	1.4
120.02011	3.1
121.01613	3.4
121.02841	11.1
121.03664	0.7
121.06481	3.3
122.03202	0.7
123.04418	1.6
127.02415	3.2
127.03902	8.2
129.03940	0.9
129.05464	0.8
131.01886	6.5
133.01765	0.9
133.03450	13.1
135.03293	1.3
135.04326	1.6
137.02954	9.9
137.05968	2.0
138.02814	1.0
139.02428	6.1
139.03830	1.1
142.03465	2.1
143.01863	14.1
144.01859	0.8
145.01672	1.5
145.03445	23.8
145.04919	5.6
146.03473	1.2
147.03171	2.1
147.04379	4.1
147.11603	0.7
149.02980	1.6
150.05493	3.1
151.04501	2.0
153.03207	2.3
155.01833	3.4
157.03438	58.9
158.03638	3.1
159.03175	1.7
159.05037	1.0
160.62628	0.8
161.02936	21.0
161.05914	1.2
162.03084	0.8
163.02626	2.1
163.04388	5.5
164.54074	1.1
165.04193	1.2
165.05479	1.3
167.02100	0.7
167.07031	3.0
168.05063	0.9
169.03474	1.9
171.01343	2.2
171.04987	4.0
171.56952	0.9
173.02930	6.2
173.04417	1.0
174.03061	0.8
175.02946	1.5
175.04488	42.9
176.04628	2.6
177.02382	0.8
177.04256	1.9
179.06708	1.3
180.05072	2.0
180.07779	0.8
181.01453	1.0
181.05568	4.1
183.04971	0.8
183.08606	1.1
184.05745	0.9
185.02942	3.0
185.06544	0.9
187.02794	1.6
187.04497	4.7
188.01677	1.1
189.02443	1.3
189.06062	1.7
190.04961	1.6
194.07071	1.5
195.01463	1.0
197.02953	1.3
197.06581	0.9
198.06104	1.7
199.04472	0.9
201.00658	1.1
201.02383	2.3
201.06151	1.0
203.03963	3.1
204.04700	0.8
205.00302	0.9
205.05528	22.6
206.05768	1.7
207.03389	1.2
208.06941	1.3
209.02956	1.1
211.04501	1.7
213.02393	1.8
213.05984	0.8
215.07738	0.8
217.05475	1.9
219.01794	1.1
221.03014	1.7
221.04974	2.5
223.06589	100.0
224.06825	4.3
225.06340	2.0
227.03976	2.2
227.06152	0.7
229.06229	3.7
230.06143	1.0
231.03569	4.0
231.07158	1.9
237.06129	1.2
237.08199	1.0
238.58549	0.7
239.04141	1.1
239.07481	0.8
239.53333	1.2
240.03230	1.4
241.07642	38.0
242.07762	2.4
243.07408	1.0
244.06781	1.4
245.04837	4.8
246.05972	0.8
246.08279	6.3
247.04622	1.3
248.53966	0.9
249.04092	2.1
249.08421	2.2
249.12320	1.7
249.54041	0.9
251.06123	7.0
252.59784	0.9
259.06326	1.3
265.07660	27.5
266.07739	1.7
269.01736	0.7
271.07224	0.8
275.06070	0.9
277.07486	4.0
279.05554	2.8
279.09265	1.2
281.07092	2.8
285.07449	0.8
291.05685	11.2
291.08966	1.1
292.05878	1.0
293.07050	6.8
295.08752	5.3
303.05505	2.2
305.07199	3.4
305.10733	2.5
307.08606	2.2
317.07193	4.0
319.05118	7.2
320.05371	2.1
320.10315	4.1
320.55664	0.8
320.60883	1.1
321.06467	5.7
321.10294	2.7
322.06528	0.8
323.08112	2.8
330.06647	1.0
335.08170	33.7
336.08298	2.5
337.09695	3.0
343.04892	2.0
349.05942	1.8
349.09680	2.7
351.07590	15.6
351.11380	3.3
352.07687	1.2
363.07632	23.2
364.07980	1.7
367.10742	2.9
375.07635	6.0
379.07132	50.5
380.07315	3.9
381.08585	4.5
383.11621	1.2
393.08383	8.2
411.09860	38.0
411.18375	1.2
412.09433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47937	1.4
53.03928	3.5
55.01852	4.7
56.96537	1.5
57.03422	12.2
59.04983	1.6
61.02916	17.4
64.61825	1.3
69.03419	37.0
70.03753	1.9
70.06581	2.2
71.04972	5.2
73.02896	12.1
77.00885	3.6
81.03408	15.9
82.99400	1.5
82.99833	1.6
83.01300	1.3
83.04971	3.0
84.08139	2.0
84.96018	1.2
85.02891	100.0
85.06500	1.4
86.03222	4.4
86.06046	2.8
86.09690	4.0
87.04451	12.0
91.03931	9.4
97.02875	42.6
98.03196	2.3
98.21495	3.5
98.97564	2.9
99.04438	12.6
101.00847	12.7
101.05997	1.4
102.05519	1.3
103.00571	1.6
103.02451	1.7
104.07109	3.6
109.02228	1.4
109.02818	9.1
112.77212	1.2
113.00849	1.9
114.24380	1.7
115.02412	4.3
115.03864	2.6
116.07095	2.4
116.98577	2.3
117.04026	1.3
117.05467	2.8
119.01902	45.9
120.01998	2.9
120.74692	1.3
121.01635	3.1
121.06469	3.2
127.02403	3.3
127.03900	30.5
128.98642	1.7
129.03934	2.1
130.08618	2.1
131.01875	10.6
132.10181	1.8
133.01598	2.4
133.03430	16.5
133.10497	1.3
133.65883	1.2
134.03560	1.9
135.03166	2.3
135.99953	1.3
137.02924	6.8
137.04639	1.4
139.02391	4.2
143.01881	14.0
144.01950	1.8
145.01628	2.6
145.03430	21.6
145.04918	33.7
145.53452	1.8
146.03403	2.7
146.05186	3.1
147.01337	1.4
147.03133	2.1
147.05002	3.0
151.04486	2.6
151.86642	1.4
152.04918	1.2
153.03960	2.2
153.05751	7.5
153.55592	1.9
155.01846	9.8
155.05539	1.7
157.01543	2.9
157.03442	51.8
158.03514	2.1
159.03178	2.7
159.05003	6.6
161.02945	16.8
161.04445	2.6
161.06621	2.3
162.03047	2.9
162.06293	2.6
163.02644	2.5
163.04500	6.6
163.06062	3.6
164.06522	1.8
166.54036	1.7
169.03426	5.8
169.05363	1.3
171.01372	2.6
171.04976	11.5
172.05092	1.9
173.02928	11.1
173.04439	1.6
173.06587	2.6
174.04510	1.6
175.02895	3.1
175.04453	26.9
176.04628	1.6
177.00751	1.8
177.04144	2.0
177.06015	3.1
179.02081	1.6
181.54633	2.2
183.04948	7.3
183.06628	1.5
184.55984	1.4
185.02892	8.8
185.06593	2.7
187.04559	8.5
187.06129	2.2
189.04401	2.4
189.06042	9.3
190.55183	1.8
191.02095	1.6
191.05887	2.7
193.03612	2.2
195.07230	1.5
197.02939	1.7
199.04515	5.8
201.06085	7.0
202.55028	2.2
203.02280	1.9
203.04002	5.1
203.05838	1.9
203.07675	2.5
203.55283	1.6
204.01050	1.4
205.03862	2.3
205.05565	9.8
207.05334	1.7
207.07167	2.1
209.02962	1.9
211.04477	3.3
211.08095	3.0
212.04976	1.5
212.07129	2.9
213.06062	2.1
215.04050	2.3
215.07584	2.9
217.01920	1.4
217.05489	2.6
219.01752	3.1
219.07126	3.0
221.05037	17.9
221.07085	2.5
222.05247	2.5
223.04773	4.2
223.06601	58.0
224.06699	3.1
225.06094	1.9
226.06720	4.3
226.56808	2.1
227.03979	3.2
227.07564	3.7
229.01944	1.8
231.07162	3.3
232.06798	2.0
233.05347	1.6
237.02711	3.3
240.06567	2.3
240.58223	2.2
241.07657	24.9
242.07961	4.2
243.07230	1.4
244.04201	1.7
244.06604	2.0
245.05046	15.3
246.05200	2.5
247.04588	2.4
247.06679	5.0
248.06438	2.1
249.06462	1.7
249.08450	1.8
249.14467	1.7
251.06049	2.7
255.06960	4.3
257.05011	4.3
259.06641	23.6
260.06689	5.7
261.08456	7.5
262.12823	1.3
263.08005	2.5
263.57574	2.8
264.07547	5.5
264.57849	2.5
265.07669	15.2
273.08167	4.3
275.06177	2.7
276.06302	1.6
277.07715	2.9
279.09247	12.3
280.09717	1.8
281.09052	5.4
287.05954	2.6
289.07715	4.9
291.05533	8.1
291.09088	8.1
291.59445	6.5
292.05911	2.2
292.08829	10.8
293.06863	2.4
298.08792	1.9
299.09741	2.9
301.07550	2.5
303.05725	1.8
303.09036	1.5
305.07513	1.9
305.10754	6.5
307.08420	8.0
308.09879	3.1
311.58984	1.8
317.07010	3.1
319.04984	7.7
319.08652	11.1
319.58679	4.1
320.09286	10.2
320.59122	2.3
321.07028	2.4
321.10336	21.6
321.66367	1.4
322.10394	2.4
335.08179	27.0
335.11758	2.7
336.08453	2.6
337.09067	2.2
339.11432	1.6
351.07355	8.1
351.11505	17.6
363.07623	16.5
364.07654	1.6
377.53018	1.3
379.07071	36.4
381.08606	3.8
393.12204	4.2
411.09814	13.6
421.11938	2.0
433.11942	2.5
434.11847	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01873	0.6
57.03432	7.1
61.02919	2.9
64.44205	0.4
65.25533	0.4
69.03419	4.5
70.06573	0.8
70.15698	1.0
70.16094	0.7
71.01347	0.5
71.04977	0.6
73.02910	15.9
74.06070	0.5
79.89558	0.5
81.03407	100.0
81.07050	0.4
82.03738	1.1
83.04971	1.0
85.02895	7.9
86.03259	0.5
87.04449	0.6
93.06997	0.5
93.28260	0.4
95.01320	0.6
95.04961	1.7
97.02876	8.4
99.04462	1.3
107.08576	0.4
109.02877	1.2
111.04438	1.0
112.07598	0.6
113.02319	2.0
115.03929	7.4
119.04942	0.4
120.06556	0.5
123.04404	1.3
127.03904	3.4
132.06573	1.1
133.04984	1.4
135.04329	0.6
144.06581	1.1
145.04953	2.4
147.04443	0.7
149.05989	0.9
149.09576	1.1
150.07649	1.5
162.07607	0.4
163.06059	1.0
163.07399	0.4
167.10641	0.7
177.05563	0.6
184.06206	0.4
195.06532	1.5
195.10162	1.3
212.05492	0.6
213.07579	5.5
213.11127	2.7
223.06067	0.8
225.07578	1.4
230.06491	0.7
239.05467	0.7
241.07162	0.7
257.06671	0.5
259.08188	0.6
294.22260	0.5
410.09235	1.0
410.16919	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3825
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03931	2.3
55.05504	14.2
56.30694	1.1
57.07082	7.6
62.51128	1.0
67.05493	18.5
67.62158	1.1
69.07062	46.3
69.42767	2.4
69.43173	8.8
70.13509	1.0
71.08615	3.9
71.19968	1.1
79.05475	9.4
81.07049	57.3
83.08611	18.5
85.10217	1.1
91.05476	6.4
93.07042	19.9
95.08598	62.0
96.08929	1.9
97.10158	8.5
105.07022	19.5
107.08583	32.8
109.10141	44.2
111.11679	5.3
117.06985	2.1
119.07755	0.7
119.08559	24.5
121.10130	31.7
123.04424	1.1
123.11699	24.5
124.12057	1.2
131.08536	6.7
133.10120	22.3
135.11678	21.0
137.13239	17.6
143.08513	2.7
145.10123	12.4
147.11670	21.7
148.11917	1.2
149.13239	20.8
151.14828	4.1
157.10074	2.7
158.10791	1.2
159.11670	15.7
160.12097	1.8
161.13242	12.8
163.14804	8.6
165.16284	1.3
171.11664	3.6
172.12314	1.4
173.13252	11.1
175.14801	11.5
177.16368	9.9
185.13274	3.7
187.14819	9.5
189.16347	10.8
191.17877	6.5
193.19601	1.5
199.14824	3.2
201.16379	8.4
203.17914	9.3
205.19527	3.9
213.16341	2.4
215.17966	7.1
217.19476	9.7
219.21129	2.2
227.17932	3.6
229.19508	7.7
229.43842	1.3
231.21124	5.3
243.21030	6.3
245.22684	3.4
255.21037	2.7
257.04474	3.0
257.22659	7.9
259.24252	5.8
265.07513	1.1
269.22809	1.3
271.24191	6.2
280.38608	1.2
283.24088	1.7
285.25827	6.4
297.25693	2.8
299.27359	3.4
311.27310	2.2
313.28897	2.4
325.28973	3.0
327.30414	5.6
339.30371	4.4
353.32050	3.2
367.33350	2.3
409.38260	100.0
410.38599	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	409.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.6
57.07069	9.7
67.05497	25.5
69.07059	59.2
70.74937	6.6
71.08605	5.3
79.05479	10.6
81.07042	93.7
82.07368	2.1
83.08606	21.3
89.06030	3.9
91.05453	7.8
93.07035	32.1
95.08597	84.6
96.08945	2.1
97.10152	8.7
105.07006	17.4
107.08583	36.6
109.10143	58.6
109.28363	1.8
110.10483	2.4
111.11704	5.5
117.07050	2.7
119.08569	28.0
121.10118	38.0
123.11694	30.9
131.08557	5.4
133.10121	25.2
134.24380	1.8
135.11668	25.9
137.13231	17.6
141.11296	2.4
145.10109	14.5
147.11662	22.8
149.13229	22.6
151.14827	5.3
158.10855	2.5
159.11697	14.7
161.13246	18.9
163.14781	11.8
165.16435	2.3
173.13258	16.0
175.14801	17.9
177.16347	14.2
185.13155	2.3
187.14804	9.3
189.16403	11.8
191.17905	8.9
201.16341	11.1
203.17886	8.7
205.19438	2.4
213.16364	4.3
213.78864	2.3
215.17885	12.0
217.19508	7.2
221.31380	2.0
227.17888	3.2
229.19534	19.3
231.21059	5.1
241.19414	3.1
243.21040	5.2
245.22635	3.4
257.04456	10.3
257.22583	5.3
259.24265	7.7
271.24234	7.9
273.25635	3.4
285.25735	5.8
299.27353	3.3
327.30457	5.5
353.31970	2.4
367.33548	2.9
403.38293	1.8
409.09155	9.0
409.38254	100.0
410.09540	2.0
410.38580	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	409.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
54.25344	0.9
55.05500	12.3
57.07071	4.6
59.36700	0.8
65.03922	1.0
67.05165	1.3
67.05495	20.4
69.03403	1.1
69.07059	25.7
71.08631	1.9
79.05482	12.2
81.07047	42.0
83.04960	1.2
83.08604	12.5
86.39106	0.8
91.05465	12.0
93.06464	1.5
93.07031	24.1
93.07611	1.5
95.04935	3.8
95.08595	48.7
97.06503	2.6
97.10147	4.2
99.08089	2.1
103.05468	0.9
105.07013	36.0
106.07342	0.9
107.08578	31.3
107.09286	2.1
108.08868	1.4
109.06518	2.4
109.10141	38.6
111.08043	1.3
111.11700	3.6
115.70888	1.0
117.07000	5.7
117.07716	1.0
117.19983	0.8
119.08560	26.4
121.06470	1.6
121.10117	23.7
123.08073	2.5
123.11700	14.2
125.09583	2.3
128.06146	1.4
129.06984	5.3
130.07794	0.9
131.08554	15.2
133.10117	22.5
134.10495	0.9
135.08060	1.9
135.11690	12.9
136.11998	0.9
137.09583	1.5
137.13246	6.2
139.11160	1.6
139.49164	0.9
141.06953	1.7
142.07745	2.2
143.08543	11.1
144.09288	1.0
145.10104	27.3
147.04388	1.0
147.07997	1.1
147.11668	26.6
149.09579	1.3
149.13228	15.1
151.07547	1.5
151.11154	2.1
151.14835	1.1
155.08527	5.2
156.09312	1.9
157.10109	12.6
158.10834	1.4
159.11670	20.2
160.12010	1.2
161.09601	2.0
161.13232	13.9
163.11185	1.5
163.14812	11.4
165.12723	1.8
165.16409	1.2
169.10133	5.6
170.10771	1.1
171.11656	10.4
173.11774	1.3
173.13242	17.1
174.13620	0.9
175.11188	1.4
175.14810	12.6
176.15015	1.2
177.12691	1.9
177.16379	8.7
179.14342	1.8
181.10126	1.7
181.15863	2.4
183.11687	6.7
184.12099	0.8
185.13232	8.7
187.14777	14.5
189.16365	12.8
191.14272	1.8
191.17860	4.3
195.11736	1.5
197.13258	5.3
198.13803	1.1
199.14792	8.3
201.16362	13.4
203.14297	1.7
203.17935	11.5
205.15834	4.6
205.19482	3.7
209.13295	2.4
211.14830	7.0
213.16359	7.9
215.17899	6.4
217.15944	1.6
217.19510	3.2
219.17397	1.2
219.21211	1.1
221.13322	1.0
221.15385	2.7
223.14848	2.5
225.16342	5.3
227.17961	6.5
229.04958	1.2
229.15875	1.1
229.19487	5.3
231.17433	3.9
231.21104	2.6
237.16382	1.6
239.17929	6.1
241.19353	4.6
243.17438	4.1
243.21089	4.1
245.04520	1.3
245.18977	2.2
245.22670	1.7
251.10675	2.8
251.17905	1.6
252.18483	1.1
253.19522	12.8
255.21115	3.1
257.04440	9.4
257.19000	3.7
257.22614	2.0
259.20377	1.1
261.36047	1.0
263.07178	1.1
265.19507	1.9
267.21002	3.6
267.71280	1.0
269.19046	1.2
269.22559	2.2
271.20520	8.5
271.23416	1.1
275.06903	1.0
276.07813	1.5
279.21152	1.1
281.22769	5.1
283.24155	3.5
285.22156	3.0
293.08060	2.6
293.11725	2.2
295.23917	1.4
297.22116	1.8
297.25516	1.3
299.23743	3.5
305.11679	17.4
306.12115	1.5
307.24417	1.1
309.25665	2.5
311.12656	3.7
311.23499	0.9
313.25290	2.2
321.25879	1.2
323.12759	9.0
324.13043	1.5
325.25095	1.1
327.26630	2.7
335.27368	2.7
339.26627	1.1
347.16403	10.6
348.16837	1.9
349.14349	1.3
351.30417	1.3
365.17435	28.4
366.17850	4.3
391.25931	1.3
391.33517	26.7
392.33893	3.2
394.06653	1.1
409.09280	6.1
409.20099	31.1
409.26169	3.0
409.34616	100.0
410.20251	5.4
410.35074	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.05505	7.2
56.05009	0.9
56.53946	0.8
57.07066	2.2
57.37885	0.8
67.05502	9.8
69.03385	0.9
69.06715	1.1
69.07059	16.3
69.41742	8.2
71.08608	1.2
79.05495	6.2
81.07046	25.7
83.04975	1.4
83.08604	5.7
91.05466	7.6
93.07030	21.0
95.04967	0.9
95.08597	34.4
97.06511	1.4
97.10150	3.5
98.21463	1.8
102.58511	0.9
105.07018	31.8
106.07333	0.9
107.08585	37.2
109.06499	3.4
109.10146	20.2
111.11660	1.4
113.09653	0.9
117.07027	1.9
117.35179	0.8
119.08570	32.3
121.06521	1.6
121.10129	36.3
121.53748	0.8
122.10457	1.2
123.08031	1.7
123.11694	6.9
129.06979	1.6
131.08553	6.5
133.06464	1.4
133.10123	22.1
135.08044	3.9
135.11681	15.8
137.09619	1.0
137.13231	4.1
139.11153	3.9
141.06998	0.8
143.08566	5.0
145.10103	11.8
147.08057	1.7
147.11679	16.4
148.11990	0.9
149.09599	3.4
149.12286	1.1
149.13251	9.7
150.02635	1.3
151.14778	0.9
153.12732	3.5
154.12228	1.9
157.10071	3.7
159.11676	9.8
160.12125	1.2
161.09616	1.9
161.13240	13.2
163.11176	1.3
163.14809	10.2
171.11652	2.3
171.14827	2.1
173.13232	6.2
175.14819	17.0
177.12756	1.9
177.16362	10.1
179.14304	1.7
181.15804	1.6
183.11728	1.5
185.13312	6.0
187.14812	10.6
189.16367	17.1
190.16653	1.2
191.14308	12.4
191.17924	42.4
192.18246	2.0
193.15877	2.1
197.13251	1.0
199.14738	2.7
201.16397	10.4
202.16875	0.8
203.14297	37.5
203.17934	17.2
205.15849	27.4
205.19614	1.1
206.16356	1.0
207.17381	2.6
211.14792	1.6
213.16353	4.1
215.17995	4.9
217.15950	1.3
217.19489	6.1
219.17412	23.0
221.19115	1.1
225.16307	1.0
227.17993	2.0
229.19641	1.9
231.17477	1.4
233.02629	0.9
233.19066	1.9
239.17847	1.1
241.19498	2.5
243.20963	1.1
245.04530	1.1
245.19087	1.6
247.20566	2.5
255.21155	2.0
257.04385	6.4
257.22696	1.3
267.21036	1.2
269.22623	2.0
271.20493	1.2
271.24411	1.0
283.24374	1.2
295.24173	1.2
297.25778	1.9
315.26907	1.2
391.33560	11.7
392.34103	1.6
409.08954	3.9
409.34607	100.0
410.34940	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	4.1
55.09676	0.6
57.07056	1.9
67.05494	6.2
68.47661	0.6
69.07058	8.8
69.35320	6.7
69.95326	0.6
77.56684	0.7
78.56829	0.6
79.05489	3.8
81.06570	1.4
81.07041	23.5
82.35107	0.6
83.04941	0.7
83.08598	2.6
91.05459	5.0
93.07032	16.7
95.04935	0.8
95.08591	22.9
97.06494	0.9
97.10131	1.3
99.48888	0.7
105.07009	11.6
107.08573	23.1
109.02843	0.6
109.06490	0.7
109.10141	10.9
111.08073	1.1
117.06972	2.0
119.08566	14.9
120.21687	0.6
121.10120	16.7
123.08019	0.8
123.10785	0.7
123.11641	4.1
129.07011	1.2
131.08514	5.7
133.10101	15.0
135.11665	10.1
137.13248	6.4
143.08507	5.0
144.09319	0.7
145.10088	9.6
147.11656	17.7
147.12779	1.2
149.13234	25.7
151.14787	1.1
155.08528	1.0
156.09377	0.8
157.10080	5.2
159.11664	8.0
161.13246	7.3
163.11124	1.0
163.14792	32.4
164.15111	1.1
169.10089	0.8
169.56314	0.6
171.11636	4.2
172.12315	0.8
173.13229	7.2
175.14796	8.1
177.16338	6.2
179.14261	1.6
183.11639	1.5
185.13191	3.6
186.13739	0.6
187.14752	7.9
188.15208	0.7
189.16319	7.0
191.17955	1.9
197.13284	1.4
199.14777	4.9
201.16360	6.5
203.17929	9.6
211.14655	1.2
213.16316	5.4
215.17932	11.5
217.19484	2.3
219.17517	0.7
225.16354	1.2
227.17981	4.5
228.18660	1.2
229.19467	8.1
231.21074	2.0
239.17969	0.9
241.19519	8.0
242.20026	1.4
243.21011	5.6
253.19566	2.0
255.21037	17.3
256.21490	1.0
257.04446	3.7
257.22562	4.3
259.20453	3.0
267.21066	2.3
269.22610	11.0
281.22510	0.9
285.22064	13.6
286.22327	0.8
295.24191	1.8
321.25940	0.8
364.86319	0.6
391.33466	8.6
409.09164	1.9
409.34576	100.0
410.35101	5.7
421.30511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
54.58463	0.7
55.05502	8.1
57.07064	3.6
65.03936	1.5
65.27622	0.7
67.05495	20.1
69.06716	1.2
69.07056	16.2
69.52145	4.9
69.52579	2.1
71.08615	0.9
79.05477	24.1
80.25702	0.7
81.06567	1.5
81.07043	26.5
83.04963	1.9
83.08601	7.7
85.65848	0.7
91.05463	13.3
93.07027	30.3
94.07389	0.7
95.04976	1.3
95.08591	83.0
97.06491	1.1
97.10152	3.2
99.08068	0.9
103.05446	1.1
105.07017	22.8
107.04886	0.9
107.08575	100.0
108.08895	2.3
109.06478	1.9
109.10136	40.3
111.08012	1.5
111.11697	1.8
117.06988	3.1
119.08562	30.7
120.08945	1.0
121.06485	2.3
121.10125	48.6
122.10444	0.9
123.08074	2.0
123.11691	10.2
129.06984	1.2
131.08534	8.5
133.10110	29.1
135.08047	3.8
135.11670	20.5
137.09618	1.5
137.13216	3.2
142.07742	1.0
143.08540	4.0
145.10088	17.8
147.11667	15.9
149.09605	2.7
149.13231	23.1
151.11079	1.0
151.14723	0.9
153.12709	0.9
155.08575	1.4
157.10110	4.7
158.10977	1.3
159.11679	13.9
161.09624	2.4
161.13225	12.6
163.11137	13.3
163.14786	14.9
164.15317	0.9
165.16295	1.0
169.10042	1.1
170.10896	0.8
170.75861	0.8
171.11696	4.7
172.12390	0.9
173.13223	7.7
174.13994	0.9
175.11176	2.8
175.14796	28.4
176.15205	0.8
177.12767	3.3
177.16353	44.6
178.16678	2.3
179.14328	1.4
183.11676	1.6
185.13232	4.5
187.14804	20.1
189.12682	1.4
189.16350	14.5
191.14340	1.5
191.17900	8.6
193.15842	0.9
197.05888	1.7
197.13187	2.2
199.14822	3.3
201.16356	8.3
203.14294	3.3
203.17921	37.3
204.18307	1.9
205.15840	84.4
205.19649	2.8
206.16232	2.7
207.17386	1.6
211.14856	1.9
213.16406	3.6
215.17911	8.3
217.15924	2.0
217.19507	2.6
219.17400	4.3
225.16417	1.9
227.17952	2.1
229.19565	3.4
231.17416	3.2
231.21141	2.5
233.18999	1.4
239.17981	2.1
241.19493	2.5
243.17429	1.3
243.21074	2.7
245.18942	2.8
253.19450	2.1
253.92961	0.8
255.21030	3.4
257.04480	4.7
257.22662	1.1
259.20517	1.3
267.21024	2.1
269.22507	1.3
271.20535	1.6
285.25687	11.1
295.24158	18.0
313.25192	31.4
314.25485	1.5
321.25546	1.0
339.26682	5.9
349.29019	0.9
351.26651	1.3
381.35080	2.4
391.33563	7.9
392.34061	1.0
409.09113	2.8
409.25891	2.4
409.34625	71.1
410.09253	1.1
410.35065	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	409.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52831	1.0
53.03933	1.5
55.05501	10.0
57.07046	2.4
65.03937	1.6
67.05497	21.6
69.07052	12.6
79.05484	17.8
81.07047	51.1
83.08617	6.7
89.11834	1.1
91.05461	16.7
93.07035	36.9
95.04932	1.9
95.08594	100.0
96.08939	1.6
97.06528	1.5
97.10157	4.8
103.05438	1.2
104.66929	1.1
105.06280	1.6
105.07014	50.8
107.08578	67.9
109.06506	3.8
109.10138	41.2
111.08060	15.1
117.07014	4.6
119.08563	41.6
120.08900	1.5
121.10126	35.5
121.11015	1.7
123.08070	1.8
123.11676	12.0
125.09615	1.2
128.06145	1.9
129.06978	3.4
131.08543	17.2
133.10112	30.6
133.11066	2.2
135.07965	1.1
135.11673	21.7
137.09618	1.4
137.13257	3.1
139.11185	3.6
143.08540	9.3
144.09319	1.6
145.10106	28.5
147.11673	39.9
148.12032	1.5
149.13234	34.8
151.14769	1.3
152.69162	1.1
157.10095	9.3
159.11682	21.7
161.13248	18.3
163.11226	1.7
163.14804	23.6
163.16086	1.9
165.12740	2.7
165.16319	1.9
169.10110	2.0
171.11670	7.0
173.13214	12.7
175.14806	21.5
177.12764	1.4
177.16354	17.2
183.11652	2.7
185.13260	5.6
187.14795	37.2
188.15268	1.7
189.16338	16.4
191.14240	1.8
191.17912	6.5
193.15894	1.5
195.17436	2.5
197.13254	2.4
199.14760	6.5
201.16333	15.2
203.14342	2.0
203.17924	25.1
205.15826	11.5
205.19467	2.8
207.17374	1.7
211.14804	2.1
213.16370	14.6
215.17923	9.7
217.19395	5.6
219.17459	4.0
225.16350	2.9
227.17967	5.8
229.19545	4.1
231.17404	4.3
231.21104	3.1
233.19069	1.9
235.20531	1.4
239.18028	2.7
241.19458	7.2
243.21069	5.5
245.18954	2.7
253.19601	2.3
255.21077	13.5
257.04425	3.8
257.22534	2.4
259.20547	1.7
267.21072	3.8
269.22656	3.2
271.24298	1.5
281.22528	2.5
285.22281	2.1
285.25760	1.8
295.24118	3.5
297.25623	1.2
308.98813	1.1
313.25165	7.8
339.26813	1.7
351.30435	7.9
391.33539	10.3
409.09128	2.2
409.34607	75.7
410.35016	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	409.346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44044	0.9
52.40344	0.9
53.03934	1.2
55.05503	8.2
55.14752	0.8
56.24470	0.9
57.07060	2.2
67.05492	16.0
67.05817	1.4
69.03426	0.9
69.07059	12.1
71.05007	1.0
71.08651	1.5
77.42748	0.9
79.05490	10.3
81.06572	2.2
81.07047	36.8
83.08606	6.8
84.80054	1.0
85.06532	1.8
90.66436	0.9
91.05466	12.5
93.07032	25.0
93.07607	1.4
95.04991	1.9
95.08593	50.0
96.08958	1.3
97.06532	2.0
97.10144	5.5
105.07014	26.7
107.08582	37.7
108.08926	1.1
109.06537	2.4
109.10138	31.2
110.10526	1.3
111.08100	2.7
117.07031	4.3
119.08565	29.1
120.08954	1.4
121.09316	0.9
121.10126	26.5
123.08089	1.0
123.11699	16.7
125.09612	1.2
128.06224	1.7
129.07021	2.8
131.08560	14.4
133.10107	18.9
135.11671	16.9
135.12537	1.5
136.12027	0.9
137.13297	3.7
141.06982	1.2
142.07727	1.9
143.08557	8.9
144.09370	1.5
145.10104	21.5
147.11662	15.2
147.12756	1.2
149.13225	20.8
155.08572	2.3
156.09346	1.8
157.10115	15.2
157.11314	1.5
159.11664	16.3
159.12820	1.3
160.12135	1.2
161.09584	1.9
161.13225	12.9
163.11182	2.0
163.14786	15.0
165.12778	1.5
169.10164	3.0
170.10870	1.3
171.11664	10.8
172.12352	1.9
173.09691	1.5
173.11807	1.1
173.13217	12.2
173.14404	1.0
175.11237	1.2
175.14818	10.0
177.12825	2.4
177.16364	16.8
179.17972	2.0
183.11769	3.9
185.13213	7.9
187.14796	26.2
188.15135	1.6
189.12770	1.1
189.16376	9.8
191.17993	4.1
193.15862	1.3
197.13330	3.4
199.14864	6.4
201.16367	11.2
203.03436	1.5
203.14288	1.0
203.17966	14.2
205.15825	7.1
207.17532	1.1
211.14874	3.5
213.16341	25.4
213.18282	1.5
214.16782	1.3
215.17891	10.5
217.15968	1.8
217.19565	2.9
219.17439	3.0
225.16400	2.6
227.17902	6.2
229.04944	2.6
229.19429	8.1
230.36621	1.2
231.17421	6.8
231.20978	4.6
239.17999	2.9
241.19513	8.0
243.21179	4.0
245.19156	1.5
253.19576	4.3
255.21031	6.4
257.04379	16.0
258.04773	2.3
259.20538	1.7
267.21091	2.9
269.22668	3.6
281.22672	1.8
285.22266	1.7
287.05652	2.8
295.24149	6.5
311.57443	1.0
313.25287	2.8
321.25940	2.2
335.27289	1.3
349.28763	1.6
367.30249	1.8
376.31659	1.1
391.33539	33.0
392.34082	2.4
409.09290	7.6
409.26025	2.8
409.34750	100.0
410.09433	1.6
410.30334	1.5
410.35367	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
53.59021	2.7
55.01873	3.5
55.05505	25.1
57.03426	2.6
57.07061	9.4
57.98941	3.3
59.04984	2.8
65.03918	5.3
67.05495	38.6
69.03403	11.2
69.07061	19.1
71.04979	5.1
71.08599	2.8
71.62426	3.8
71.62901	4.1
79.05480	27.4
81.07044	66.7
83.04964	4.9
83.08598	12.1
85.06503	4.1
86.09650	3.0
91.04958	3.6
91.05478	47.5
93.06476	3.6
93.07035	60.1
95.04948	36.7
95.08589	59.0
96.08851	2.7
97.06512	11.2
103.05383	3.6
105.06293	4.8
105.07011	100.0
107.04877	2.8
107.08580	54.0
108.08904	3.1
109.06492	11.1
109.10133	42.2
111.08050	7.0
117.06978	13.6
119.04935	4.0
119.08569	75.9
121.06508	10.8
121.10113	36.5
123.04385	3.3
123.08025	11.9
123.11688	10.0
129.05482	5.9
129.06966	7.6
130.07715	3.4
131.08546	25.8
133.06487	3.1
133.10104	31.7
135.08067	8.5
135.11681	27.9
137.09578	3.9
137.13211	7.9
142.07718	10.9
143.08572	20.3
144.09277	5.7
145.06473	3.0
145.10106	43.0
147.07999	11.2
147.11671	46.4
149.09586	6.8
149.13242	23.9
151.07510	13.3
155.08453	5.9
156.09360	6.1
157.10129	24.2
159.08067	4.5
159.11656	30.5
161.09615	6.2
161.13225	15.8
163.11151	7.7
163.14778	15.9
165.09102	19.2
168.09293	3.9
169.10069	11.3
170.10732	3.9
171.11639	15.9
173.09552	4.6
173.11870	3.2
173.13202	17.0
175.11166	19.4
175.14882	15.2
177.08978	3.8
177.12628	3.5
177.16344	9.5
179.08556	3.1
181.10118	3.4
181.12167	4.6
183.11639	11.2
185.13268	8.0
187.14819	18.2
189.12668	6.3
189.16383	10.8
191.14233	4.1
191.18010	3.2
195.11646	5.0
196.12508	3.2
197.13184	4.8
199.14941	6.1
201.12753	6.6
201.16365	14.2
203.14255	16.7
203.17894	10.6
205.15944	6.1
207.13713	5.3
209.13322	3.2
211.14697	6.6
213.16364	9.5
215.17928	11.8
217.19548	3.7
219.13820	3.2
221.13319	5.1
221.15320	51.5
227.17960	5.5
229.04993	9.4
229.19594	4.0
231.17622	3.2
234.16125	12.9
239.17924	4.1
241.19495	5.6
243.21104	6.6
245.04526	7.9
255.21072	6.7
257.04407	52.0
258.04794	5.4
285.18497	3.2
287.05505	5.2
287.19998	7.3
300.20868	3.1
329.21225	3.5
391.26047	7.7
391.33499	16.5
409.09167	34.2
409.26987	40.7
409.34570	69.7
410.09140	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
53.53373	0.6
55.01857	1.6
55.05500	14.6
56.46901	0.7
57.03434	1.3
57.07064	4.9
59.04979	0.8
65.03923	1.7
67.05495	18.1
69.03416	3.0
69.07057	16.2
71.04984	2.3
71.08620	1.6
77.03922	1.3
79.05477	13.7
81.03419	1.3
81.07046	28.2
83.04964	3.1
83.08614	9.2
85.06537	3.0
86.09644	0.9
91.05463	18.6
93.06568	0.7
93.07026	28.8
95.04951	18.9
95.08591	37.0
97.06536	5.9
97.10165	4.8
98.20713	2.3
99.04418	0.8
103.05463	1.2
105.07011	44.7
107.04951	0.9
107.08574	26.3
109.06504	5.2
109.10140	22.8
111.08077	2.2
113.09625	1.2
113.43623	0.8
115.05420	1.3
117.06999	7.4
119.08562	39.6
121.06505	7.9
121.10124	19.8
123.08041	9.3
123.11700	5.5
125.09617	1.8
128.06207	2.1
129.07007	5.8
130.07738	2.0
131.08543	17.3
133.06465	2.5
133.10112	16.0
134.97533	0.8
135.08031	5.3
135.11685	10.8
137.06006	0.9
137.09569	3.0
137.13213	3.3
139.11205	4.8
141.06958	2.7
142.07742	5.7
143.08536	14.1
144.09291	3.5
145.06412	1.1
145.10100	28.3
146.10503	1.2
147.08017	6.1
147.11665	18.4
149.09569	3.9
149.13239	7.5
149.98651	0.8
151.07516	48.0
151.11078	1.0
153.09125	0.8
153.12714	4.2
154.07718	0.9
155.08530	4.1
155.10660	0.9
156.09319	3.8
157.10104	16.6
158.10828	2.4
159.08031	3.1
159.11658	22.8
160.08836	1.0
161.09615	4.4
161.13219	6.5
163.11147	2.9
163.14793	9.0
165.09084	10.6
165.16360	0.9
167.01518	0.8
167.08537	2.2
168.09309	2.1
169.10092	7.3
170.10832	1.6
171.08022	0.8
171.11655	9.3
172.08833	0.9
172.12349	0.9
173.09595	2.4
173.13220	11.0
175.11151	10.6
175.14760	5.5
177.09090	1.7
177.16379	2.7
179.08400	1.0
179.14325	2.9
181.10078	1.9
181.12274	1.0
181.15860	9.0
182.10950	1.5
183.11650	7.5
185.13243	7.8
186.13954	1.0
187.11168	2.1
187.14777	12.1
189.12743	3.6
189.16335	3.4
191.14302	1.7
191.17990	2.1
195.11714	3.1
196.12440	1.4
197.13194	4.5
199.14815	3.6
201.12695	3.8
201.16362	21.1
203.14275	5.3
203.17885	5.2
205.15819	0.9
207.11842	1.6
207.13795	3.7
209.13231	2.6
209.15237	1.7
211.14795	5.3
213.12740	1.4
213.16373	8.6
215.17935	6.4
217.15997	1.0
217.19521	4.6
219.13788	1.1
221.13313	1.0
221.15323	27.0
223.14774	1.3
225.16371	4.6
227.14397	1.1
227.17871	7.6
228.18658	1.1
229.04977	1.7
229.15840	2.7
229.19440	4.8
229.34306	1.0
233.13106	0.9
233.15323	1.4
234.16060	4.8
235.14842	1.1
237.16350	1.4
239.14459	1.0
239.17894	2.8
240.18814	0.9
241.19423	4.1
243.21138	2.4
245.04564	0.9
249.16318	1.0
253.19427	3.7
255.17378	0.9
255.21028	2.5
257.04434	8.3
257.22476	1.3
258.04968	1.1
264.07370	0.8
267.17346	1.1
267.21130	2.1
269.19012	1.2
269.22678	1.5
271.24078	1.1
276.07907	1.1
281.22568	2.3
283.06186	1.0
283.24133	5.4
286.19293	1.8
287.19931	3.3
293.08023	1.0
300.20789	1.0
305.11670	6.6
311.12906	1.0
323.12762	4.0
329.21045	2.1
347.16391	4.1
349.29108	1.0
365.17404	12.0
391.26099	2.0
391.33643	10.1
409.09277	5.5
409.20041	10.1
409.27197	28.3
409.34552	100.0
410.20227	1.6
410.34796	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	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48063	0.2
55.05495	0.5
67.05499	0.4
69.03412	0.3
69.07054	0.6
70.06264	0.9
70.06540	0.2
71.04936	0.2
79.05481	0.3
81.03385	0.2
81.07046	0.9
82.75326	0.2
83.04955	0.4
83.08623	0.3
85.02888	0.5
85.06518	0.2
86.09692	0.2
91.05464	0.5
93.07019	0.5
95.04949	0.3
95.08584	0.7
97.02881	0.2
97.06517	0.4
97.10134	0.3
98.21377	0.3
99.04453	0.2
105.03354	0.3
105.07001	0.7
107.01057	0.4
107.08588	0.4
109.02866	0.2
109.06499	0.3
109.10131	0.6
117.07017	0.2
119.04904	0.4
119.08544	0.5
121.06452	0.3
121.10120	0.6
123.04420	2.3
123.08035	0.3
123.11671	0.3
125.09613	0.4
126.58636	0.2
127.03889	0.4
131.04887	0.3
131.08545	0.3
133.10110	0.3
135.11655	0.5
137.05980	0.2
137.09579	0.3
145.06522	0.2
145.10176	0.2
147.04451	0.8
147.11688	0.3
149.09520	0.2
155.04868	0.5
159.11679	0.3
163.03830	0.3
173.05943	0.3
173.13165	0.2
177.16335	0.3
183.04401	0.3
183.06401	0.2
187.03871	0.3
195.17406	0.2
201.05421	0.9
202.06061	0.4
203.03375	0.5
203.05168	0.4
212.17239	0.5
213.05508	0.6
213.14815	0.2
213.18417	1.0
217.12204	0.3
229.04919	7.0
229.12062	0.3
230.05623	1.1
245.04503	1.3
247.13046	2.8
257.04413	24.6
258.04956	3.4
259.05875	0.3
264.53500	0.2
271.05997	2.0
272.06418	0.3
283.05936	0.5
287.05469	4.1
288.05826	0.3
391.08203	0.4
409.09781	18.7
409.18250	100.0
410.09750	2.6
410.18588	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01852	1.0
55.05498	12.7
57.03421	1.4
57.06865	0.5
57.07066	6.3
59.04979	1.0
65.03914	1.1
66.26909	0.7
67.05491	18.1
69.03404	2.9
69.07053	16.8
71.04983	1.5
71.08630	0.8
71.62909	0.8
79.05476	15.3
81.03401	1.0
81.07037	29.1
81.07512	1.7
83.04944	3.0
83.05375	0.7
83.08601	8.9
85.06510	3.1
85.10146	0.7
86.09684	1.0
87.16010	0.7
89.06013	0.8
91.05459	17.5
93.07027	31.2
93.07619	1.6
95.04948	19.3
95.08588	37.4
95.83903	0.6
97.06506	6.2
97.10136	5.5
103.05439	1.6
105.04507	0.9
105.07008	44.3
107.04934	1.7
107.08571	27.2
109.06506	4.7
109.10132	21.5
111.04489	0.7
111.08021	2.2
111.11686	1.2
115.05389	1.6
117.06984	7.3
119.04876	0.8
119.08561	37.4
121.06483	7.1
121.10119	19.6
123.04473	0.8
123.08045	9.7
123.11687	6.1
125.09619	1.7
127.11127	0.9
128.06197	2.1
129.06972	4.3
130.07738	2.1
131.08537	16.1
133.06490	1.8
133.10104	16.9
134.10385	1.0
135.08018	6.4
135.11641	9.2
137.05946	0.8
137.09579	4.5
137.13206	3.1
139.11151	4.7
140.72937	0.6
141.06973	1.9
142.07784	4.8
142.08713	1.0
143.08534	11.4
144.09233	2.5
145.06444	1.2
145.10097	30.4
146.10727	0.9
147.08008	6.1
147.11658	17.0
149.09608	3.9
149.13205	7.6
151.07509	54.9
152.07895	1.0
153.09129	0.9
153.12732	4.4
153.13812	0.6
154.07855	1.0
155.08492	4.9
155.10565	0.9
156.09323	4.5
157.10109	14.3
158.10774	1.7
159.07991	2.5
159.11653	22.9
160.08794	0.8
161.09532	3.3
161.13194	7.2
163.11122	3.3
163.13527	1.1
163.14795	8.1
165.06960	0.9
165.09070	12.3
167.08549	1.1
168.09245	1.7
169.10080	7.0
170.10825	1.6
171.11661	10.7
172.12370	1.0
173.09596	4.0
173.11737	1.1
173.13225	10.6
174.10356	1.1
175.11151	11.6
175.14789	7.1
177.09082	1.4
177.16370	3.4
179.08430	0.8
179.14221	2.4
181.10056	2.5
181.12178	1.2
181.15843	10.5
182.10843	0.9
183.11658	8.4
184.12367	1.1
185.09624	1.2
185.13202	8.8
186.13928	0.9
187.11121	3.1
187.14783	13.6
189.12718	1.7
189.16389	6.4
191.17899	2.1
193.10262	1.0
193.12180	0.8
193.15730	0.8
194.11008	0.8
195.11652	1.9
196.12436	1.3
197.13206	4.2
199.11028	1.3
199.14714	5.0
201.12628	3.7
201.16345	21.8
203.14236	5.8
203.17976	5.1
205.15831	1.8
207.11784	1.3
207.13763	3.5
209.13193	2.7
209.15186	1.3
211.14816	6.0
213.16316	7.9
215.17973	4.6
217.19524	3.3
219.13809	1.6
221.13275	1.5
221.15309	24.2
221.18712	1.2
223.14793	1.6
225.16374	4.3
227.14331	1.6
227.17940	5.5
229.04948	1.4
229.15814	2.5
229.19424	5.7
231.17432	0.9
233.15367	1.4
234.16180	4.1
235.14778	1.0
237.16411	1.0
239.14259	1.2
239.17874	2.7
241.15675	1.1
241.19495	4.5
242.20062	0.7
243.21017	1.9
245.04387	1.9
249.16339	1.3
253.19521	3.5
255.21053	2.8
257.04410	10.4
257.22623	1.5
258.04993	0.9
265.19568	1.0
267.17401	1.0
267.21014	2.9
269.18973	1.0
271.24176	2.0
281.22604	1.9
283.06378	0.8
283.24103	4.2
286.19070	1.6
287.05450	1.2
287.19943	3.3
293.07990	1.0
300.20706	2.0
305.11670	3.2
307.24008	1.0
313.21588	1.3
318.87396	0.9
329.21207	1.7
347.16312	1.7
365.17551	4.4
391.26135	3.3
391.33514	11.3
409.09274	5.0
409.19904	3.3
409.27176	23.0
409.34525	100.0
410.27603	2.2
410.35019	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	409.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05502	0.7
68.45663	0.4
69.67631	3.6
69.67937	0.6
69.70390	0.4
72.66506	0.5
72.78294	0.5
81.07040	0.7
93.57111	0.5
98.21496	0.7
107.04929	1.2
110.63754	0.5
123.04408	4.6
143.08102	2.5
151.03886	0.6
162.02219	1.2
162.43770	0.5
175.03804	0.7
189.93301	0.6
193.04982	1.2
198.07870	0.6
199.08566	1.4
200.09299	0.9
201.05534	0.5
203.03334	1.6
210.07877	0.7
211.08569	3.2
212.09451	1.1
213.10233	2.3
215.03467	0.6
215.11671	1.0
217.09657	2.1
225.06660	0.7
225.10143	3.7
226.10873	0.5
226.83463	0.5
227.08209	0.7
229.04887	1.0
229.09749	1.3
238.07338	0.5
239.08153	5.9
239.11742	3.7
240.08963	2.5
241.09718	4.7
242.10410	1.0
243.07555	1.2
243.11298	6.5
245.04491	2.1
253.09659	6.2
254.10339	0.8
257.04446	2.9
257.09070	2.6
257.12839	1.8
258.10065	0.7
259.10678	3.2
262.11008	1.2
263.11298	0.7
267.07584	1.3
267.11285	3.6
268.08389	5.8
269.09094	1.2
269.12875	0.9
271.06143	0.8
271.10748	22.5
272.11188	1.2
273.12329	1.7
275.10263	1.9
277.11905	3.2
280.08395	0.6
281.09161	1.8
283.06030	1.5
285.08704	1.6
285.12317	4.5
287.05426	4.2
289.11768	2.1
295.10782	3.2
300.11063	1.4
303.13287	0.6
313.11768	5.8
317.11246	1.8
318.12009	0.8
323.10284	8.1
324.10712	0.6
327.13284	1.8
331.12921	1.0
335.12305	3.1
341.11252	14.9
345.14432	2.3
355.12988	3.2
359.12363	2.3
363.15271	0.6
373.13834	14.6
391.14948	18.1
392.15088	1.1
407.07333	0.5
409.09448	7.8
409.15982	100.0
410.09589	1.0
410.16336	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	409.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49952	0.3
58.06616	0.2
59.47065	0.2
67.05499	0.4
69.03418	0.6
69.07056	0.4
70.06264	1.1
71.04990	0.4
72.54329	0.2
81.03372	0.4
81.07026	0.9
83.08598	0.5
85.02897	0.4
91.05461	0.7
91.09786	0.3
93.07014	0.8
95.04929	0.6
95.08582	0.7
97.10134	0.3
99.04498	0.3
105.03387	0.2
105.06993	0.4
107.01041	0.5
107.08566	0.4
109.06489	0.4
109.10122	0.5
119.04923	0.6
119.08572	0.6
121.10197	0.3
123.04403	2.3
123.11661	0.3
125.09647	0.4
127.03917	0.3
131.08430	0.3
133.10088	0.3
135.07980	0.3
143.10652	0.5
145.10074	0.3
147.04361	0.8
153.01797	0.4
155.04904	0.4
161.09573	0.3
163.03787	0.3
201.05441	1.1
202.06221	0.3
203.05266	0.6
212.17320	0.5
213.05347	0.3
229.04927	7.1
229.12021	0.4
230.05525	1.2
245.04474	1.4
247.13040	3.0
257.04395	22.8
258.05020	3.0
259.05911	0.4
271.05942	1.5
283.06033	0.8
287.05475	3.7
288.05765	0.3
342.61499	0.3
391.08127	0.4
409.09781	18.0
409.18231	100.0
410.09744	1.4
410.18646	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05514	1.2
56.79182	0.8
57.03432	1.7
58.99873	1.1
61.02924	3.2
69.03430	8.3
69.28767	9.3
70.06601	2.4
71.04997	1.6
73.02932	2.4
73.06562	1.2
77.00900	1.5
79.50199	0.8
81.03427	3.9
81.04533	1.2
81.07069	1.2
82.99885	1.2
84.08151	2.3
85.02901	15.8
86.99377	1.0
87.04465	1.1
90.77902	0.8
91.03947	1.0
91.05491	1.5
95.01977	1.1
95.08577	1.0
97.02882	10.7
98.97575	1.8
99.04445	1.4
101.00873	11.0
103.02475	1.6
107.04953	1.7
109.02917	2.9
112.08778	1.3
113.00853	2.3
115.02436	2.9
116.07037	1.0
116.98656	0.9
119.01920	36.6
119.04985	2.7
120.02013	1.4
121.01679	0.9
121.02849	4.8
121.06512	1.9
121.91580	0.9
123.04460	3.2
127.02464	1.1
127.03911	4.9
127.04930	0.8
129.03972	1.3
131.01903	16.3
131.02805	1.3
131.05548	5.5
132.01942	0.9
133.03445	4.8
136.06259	1.4
137.02954	7.1
137.06009	3.2
138.09180	1.0
143.01892	51.3
144.02084	2.6
145.01736	1.5
145.03490	10.9
145.04951	4.7
147.01381	2.2
147.04475	5.4
149.03027	3.4
149.06602	9.4
151.07611	1.0
155.01888	21.7
155.03067	1.3
155.05499	1.4
156.02679	1.8
157.03438	7.8
157.76704	0.8
158.03584	1.0
159.05087	3.8
161.02950	84.5
162.03017	4.2
163.04083	3.0
167.05692	1.6
167.07109	2.8
168.07471	1.1
169.03535	1.3
171.05066	3.3
172.08209	1.0
173.02957	23.6
173.06596	20.5
174.03223	1.7
175.04703	4.6
177.00754	1.1
177.06148	3.5
179.04063	1.4
181.08627	1.2
184.04552	4.2
185.03008	5.7
185.06580	24.0
186.06667	1.2
187.04558	1.9
187.08150	4.8
189.02557	1.2
189.05765	3.5
191.07683	8.8
196.07631	1.3
197.02998	6.4
197.06720	1.1
199.08299	2.4
201.06137	3.0
203.03984	6.7
203.07631	17.4
204.04131	0.9
205.05598	1.8
205.09294	1.3
207.03516	1.1
214.09331	0.9
215.07599	11.8
217.09326	1.4
219.01895	1.1
219.07864	1.5
219.58098	1.1
221.05019	21.3
222.05217	1.2
223.04666	1.9
223.06673	3.3
227.07732	3.5
229.09203	1.8
233.08789	3.4
241.07791	1.3
244.06956	1.4
244.78416	0.8
245.04962	6.8
247.04373	4.0
247.06828	1.4
257.04660	3.4
257.08798	4.6
259.06689	1.2
261.08441	0.9
263.06390	1.4
265.05731	3.3
273.08270	1.1
275.09787	25.6
276.10138	2.5
277.10300	3.5
279.09509	2.3
283.06625	1.4
283.10059	1.2
287.05685	2.4
289.05692	1.7
293.10809	74.0
294.10934	4.8
295.10739	1.1
307.06757	2.6
316.12668	1.2
317.03860	1.2
319.12491	4.3
347.12042	1.4
349.07468	5.4
363.11368	4.5
365.13132	3.3
367.08563	6.8
373.09784	1.6
385.09988	1.2
391.10760	6.5
399.64655	1.1
407.93118	0.9
409.11929	100.0
410.12155	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	7.9
67.05484	13.6
69.03420	7.1
69.07055	25.2
69.49237	13.3
69.49639	4.4
71.05001	9.4
73.55775	2.3
79.05464	6.9
81.03436	4.8
81.07039	18.5
81.91250	1.8
83.04993	4.2
83.08604	19.4
84.60979	1.9
85.02883	8.5
85.06510	13.3
91.05453	5.4
93.07034	18.5
95.04961	6.0
95.08585	31.6
97.02864	5.8
97.06515	13.0
98.20738	4.2
99.04433	7.9
99.08082	7.6
105.07009	13.9
107.08570	18.0
109.02847	4.3
109.06490	8.6
109.10138	44.0
111.08070	5.5
111.11690	4.1
115.07571	7.5
119.08569	22.4
120.08085	2.4
121.02829	9.2
121.10123	13.8
123.08031	6.1
123.11676	10.7
125.09624	6.1
127.03883	5.8
127.07572	2.3
127.08644	2.1
127.11184	4.7
131.08516	2.7
133.10114	43.8
134.10471	2.6
135.11688	30.2
136.11996	2.0
137.09590	9.1
139.03860	5.6
145.08562	2.6
147.04333	2.7
147.11642	4.5
149.13214	8.5
151.11145	2.8
153.12740	2.8
161.06021	2.5
163.03908	4.3
165.16393	3.1
169.04892	2.6
170.10403	2.1
173.06020	2.1
173.11829	2.1
173.13226	2.7
175.14806	68.8
176.15103	4.2
177.16348	8.9
189.65121	1.7
193.15843	100.0
194.16176	4.3
211.13329	7.0
211.16888	55.9
211.18750	3.8
212.17299	3.2
229.14209	2.5
246.11089	2.8
257.04349	10.8
271.05960	56.4
283.05984	11.1
286.98007	2.2
408.15820	3.4
409.09335	11.7
409.18582	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	409.0909
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
64.64867	0.2
67.05462	0.2
69.74672	1.2
81.03424	0.2
91.05476	0.9
95.04956	0.2
111.28452	0.2
115.05379	0.2
119.04922	2.6
123.03554	0.3
123.04409	4.6
127.03872	0.2
133.10052	0.4
135.07979	0.2
147.04381	5.1
155.04877	0.7
163.03899	1.3
165.05400	0.6
169.04884	0.7
171.04225	0.2
173.05896	0.3
175.03847	1.0
183.04346	0.6
187.03888	0.3
201.05365	1.1
202.06076	0.3
203.01460	0.3
203.03355	5.6
211.16786	0.2
212.17104	0.2
213.05415	0.7
215.03288	0.2
229.04926	11.4
230.05536	0.8
241.04903	0.7
243.42754	0.2
245.04416	14.2
246.04750	0.5
253.05002	0.2
254.39499	0.2
257.04401	100.0
258.04971	6.5
259.05902	0.7
269.04422	0.9
271.05899	1.9
283.06021	0.6
287.05460	7.2
288.05893	0.3
299.05417	0.4
345.07486	0.2
391.08163	0.9
409.09119	50.4
410.09430	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0911
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
67.05475	0.4
70.96304	1.0
75.38146	0.4
79.05463	0.4
81.07022	0.5
82.68261	0.3
85.02856	0.3
87.67437	0.3
91.05448	0.8
95.04939	0.6
95.08556	0.4
97.06469	0.5
99.07985	0.3
101.18867	0.3
109.10160	0.3
119.04932	1.8
122.61713	0.4
123.03559	0.5
123.04407	8.8
131.04915	0.4
131.80966	0.3
135.11688	0.6
145.06404	0.4
147.04390	3.0
155.04855	1.3
173.05946	0.9
183.04362	1.2
187.03894	0.5
201.05429	4.4
202.06189	1.4
203.03349	2.0
213.05505	2.0
215.03392	0.7
229.04921	26.2
230.05627	4.3
231.02850	0.4
245.04416	8.6
257.04404	100.0
258.05081	11.6
259.05841	1.1
269.04440	0.9
271.05905	4.2
285.03928	0.6
287.05457	18.1
288.05820	0.9
299.05399	1.2
391.08090	1.6
409.09119	86.1
410.09436	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	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85242	0.9
55.05500	4.9
57.07065	1.5
59.04990	1.5
67.05491	5.0
67.97736	0.9
68.83037	0.9
69.03407	3.5
69.07060	10.4
69.89671	2.0
69.90078	3.7
71.04975	6.4
79.05477	3.4
79.60240	1.0
81.03407	1.5
81.07036	8.3
83.04970	1.6
83.08610	6.3
85.02883	6.9
85.06516	4.2
87.72565	1.2
91.05460	2.4
93.07032	7.9
95.04929	2.6
95.08588	14.7
97.02899	1.6
97.06506	9.6
99.04435	3.6
99.08087	2.0
105.03359	2.6
105.07013	6.7
107.08589	11.8
108.01841	0.9
109.02856	0.9
109.06512	5.8
109.10133	23.0
111.04414	1.3
111.08015	2.3
111.11713	2.0
115.07547	6.2
119.04915	1.2
119.08552	12.1
121.10120	6.5
123.04414	3.3
123.07999	5.4
123.11671	10.1
125.09626	6.0
127.03903	1.8
127.07526	1.1
127.11212	2.9
129.05513	1.2
133.10107	27.5
135.11668	20.7
137.09598	5.1
143.03384	4.5
147.04398	2.3
147.11641	3.3
149.13226	9.4
153.12721	2.9
155.10583	1.9
157.10141	1.2
165.12726	1.5
166.11964	1.1
169.12199	1.4
175.14790	42.9
176.15053	1.5
177.16402	4.1
193.12207	2.9
193.15848	44.8
193.21797	0.9
211.13368	8.3
211.16890	100.0
212.17258	3.8
229.04912	5.9
229.14397	6.2
229.18095	1.3
233.33630	1.1
245.04453	3.8
257.04388	36.7
258.05124	2.6
271.05997	1.6
287.05453	3.1
290.09418	1.1
409.03726	1.4
409.09122	27.8
420.87991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	4.7
57.03407	1.8
57.07037	2.3
57.15116	1.8
67.05493	5.6
69.03431	9.7
69.07068	3.5
69.30247	2.0
69.30468	14.5
69.30882	9.1
71.04971	4.7
75.05152	2.0
79.05470	4.6
81.03403	2.6
81.07052	6.2
83.05009	1.9
83.08586	2.3
85.02888	5.4
85.06520	8.4
91.01801	1.8
91.05453	2.5
93.07028	7.9
95.04945	3.1
95.08582	7.5
97.02857	2.5
99.08083	84.8
100.08407	2.4
105.07020	3.1
107.08620	9.0
109.02876	2.2
109.06504	3.5
109.10138	17.5
111.08069	3.6
113.06010	2.0
119.08562	5.6
121.10143	8.7
123.08090	2.8
123.11798	2.6
125.09628	15.5
127.03916	3.3
133.10101	29.1
135.11708	9.6
136.89439	1.8
137.09618	8.6
139.11194	2.8
151.11176	4.4
152.70381	1.7
153.08992	2.3
163.07440	2.2
175.11110	2.3
175.14793	8.7
187.25497	1.9
193.15858	100.0
194.16209	4.2
203.05264	10.4
209.74583	1.9
211.13306	11.8
211.16930	7.1
229.10707	8.0
229.14352	3.0
229.18025	6.2
236.16370	3.0
271.05899	3.9
280.07849	2.8
294.09573	2.7
296.11121	2.4
298.08984	5.2
334.11185	3.5
340.09930	3.2
358.11295	2.6
390.13831	14.6
391.13864	2.2
409.09439	2.6
409.13071	2.9
409.18323	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	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.0
57.03419	1.3
57.61316	1.2
59.04987	1.5
67.05504	7.3
69.03415	7.4
69.07056	4.8
69.46894	6.4
69.47330	4.2
70.72710	1.2
71.04982	2.1
78.84674	1.1
79.05497	2.8
81.03408	3.1
81.07056	5.4
83.04949	1.7
83.08594	1.7
85.02875	3.5
85.06535	10.6
87.04456	1.5
89.00768	1.0
91.05466	2.6
92.09651	1.1
93.07030	8.1
95.04938	2.5
95.08596	7.2
97.02862	2.2
97.06489	2.6
99.04410	3.2
99.08083	77.9
100.08408	1.5
105.07018	4.0
107.08586	9.9
109.02876	2.1
109.06483	3.3
109.10143	15.5
111.08046	1.5
113.02333	3.1
119.08565	4.3
121.02802	1.2
121.10115	3.8
123.08099	1.6
123.11707	2.4
125.08752	1.5
125.09618	24.1
127.03893	2.5
133.10107	20.9
135.11681	10.6
137.09592	7.1
139.11189	1.6
147.11713	2.8
151.11153	4.0
165.12805	1.4
169.90083	1.1
175.10944	1.2
175.14847	7.6
183.10133	2.8
191.14200	1.3
193.15868	100.0
194.16180	4.0
211.13301	10.9
211.16913	11.8
229.10707	1.8
229.14389	3.2
229.18031	6.1
239.05367	1.4
247.18962	1.6
257.04468	2.6
270.09540	1.4
390.13748	3.0
393.44272	1.2
409.09586	2.6
409.18341	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01846	2.1
55.05502	3.5
57.03417	2.7
57.07076	1.1
61.02904	1.9
64.33970	0.8
67.05495	8.9
69.03410	4.7
69.07047	6.5
69.89648	2.4
69.90063	2.6
71.04981	1.6
79.05476	5.3
81.03398	2.7
81.07040	31.7
83.04958	2.9
83.08599	4.2
85.02888	13.9
85.06519	3.7
91.05475	8.5
93.07022	5.9
95.04960	2.0
95.08601	9.9
97.02882	4.9
97.06503	3.0
97.10152	0.8
99.04421	1.5
99.08073	2.4
101.06009	1.6
101.31690	0.8
105.03368	9.7
105.07016	15.1
107.08582	8.1
109.02847	2.2
109.06512	2.6
109.10141	2.7
113.05981	1.5
115.07530	1.2
119.08569	13.5
121.10119	13.0
122.03553	0.9
123.04446	1.4
123.08051	2.9
123.11681	17.8
127.03896	2.8
127.07560	3.1
133.10117	2.9
137.05952	11.4
137.13232	1.9
139.03891	7.8
141.09071	1.0
145.04932	3.9
145.10010	1.3
147.04407	1.6
147.11664	50.4
148.11977	1.7
151.14789	2.3
153.12738	0.9
157.10110	1.8
165.12724	31.1
169.15901	1.6
175.14818	2.4
180.08669	4.4
183.13771	13.4
193.12280	5.7
193.13939	1.0
193.15865	2.8
203.03450	1.1
209.29184	0.8
211.13345	7.9
211.16852	9.3
214.61096	0.8
229.04973	4.6
229.14313	100.0
229.18019	2.7
230.14655	2.6
245.04424	2.6
257.04425	21.8
258.05206	1.2
268.09259	0.8
287.05411	2.4
315.60742	0.8
337.16641	1.0
355.17511	2.1
409.09079	16.2
409.16309	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	408.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
57.96904	0.5
61.02904	0.6
69.03413	1.2
69.96759	2.8
71.72910	0.5
78.04722	0.7
85.02886	4.4
91.05456	4.3
93.07033	5.5
95.04943	1.0
97.02867	1.1
103.05452	3.8
105.07030	2.5
107.04945	3.1
109.02871	0.8
115.05421	0.6
121.06476	10.2
123.04403	1.4
124.05188	0.9
127.03886	0.7
131.04918	0.7
131.05992	0.5
133.06461	2.4
135.08018	0.7
135.14644	0.5
137.05956	1.1
145.04980	0.7
149.05959	22.8
152.04657	0.9
161.05984	4.3
162.07581	0.6
163.06308	0.6
163.07468	2.9
164.27829	0.6
166.06284	3.7
167.07014	73.4
168.07359	1.0
180.08736	1.1
181.08560	31.8
182.09071	1.2
193.08546	2.9
195.10072	2.4
211.09618	100.0
212.09995	2.4
253.74162	0.5
314.94357	0.5
392.64734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.12687	0.2
67.05457	0.3
69.03416	1.1
69.84809	0.2
69.90069	1.6
70.06564	0.4
71.05015	0.3
73.02924	0.3
78.04680	0.4
79.05470	0.5
81.03394	1.1
81.07050	0.3
83.26248	0.2
84.08123	0.8
85.02888	4.2
91.05457	0.4
93.07018	0.8
95.01305	0.6
95.04964	0.4
97.02868	1.1
98.21467	0.3
99.04416	0.6
99.08076	0.3
105.07017	0.5
106.04136	0.3
107.04926	0.7
109.02881	0.4
112.07701	0.3
113.02333	0.9
121.06495	1.3
123.04430	1.5
124.05229	0.6
127.03908	0.6
132.33624	0.3
137.05910	0.5
143.33235	0.3
145.04956	0.6
147.11105	0.3
149.05981	1.7
151.03931	0.3
152.04669	0.8
155.03287	0.3
161.05925	0.6
165.08974	0.4
166.06206	0.4
167.07011	100.0
168.07372	1.6
175.07553	0.4
181.08575	2.3
193.08578	4.2
211.09622	20.2
215.00696	0.3
229.10675	16.9
230.10951	0.4
234.98969	0.7
239.05499	0.7
246.11197	0.3
303.05099	0.4
408.17737	1.0
409.16269	0.3
414.40900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.6
57.07072	9.8
59.48926	1.4
65.02760	1.3
67.05493	23.6
69.07060	34.7
71.08609	3.2
77.89553	1.2
79.05478	9.4
81.07043	50.6
83.08606	33.4
89.06009	5.5
91.05466	12.4
93.07033	25.1
95.08595	54.6
97.10148	7.5
99.04449	4.8
105.07008	24.2
107.08579	36.4
109.10139	49.4
110.10490	2.0
111.11707	5.8
117.06982	3.6
119.08570	31.0
121.10121	31.3
122.10463	1.8
123.08093	1.4
123.11691	21.6
125.05986	6.4
125.13200	1.6
129.06984	2.3
131.08548	11.1
133.08565	2.0
133.10115	23.4
135.11671	27.4
137.13240	12.0
137.27829	1.2
142.07776	1.5
143.08548	7.5
144.09238	1.3
145.10095	19.2
147.11681	23.1
149.13234	20.4
151.14825	3.1
156.09282	1.6
157.10135	10.8
159.11684	23.0
160.12141	1.6
161.13239	19.1
163.14799	9.8
169.10114	3.6
171.11678	10.8
173.13246	15.3
175.14804	12.8
177.16371	6.2
183.11615	3.3
184.12370	1.4
185.13225	9.8
187.14813	12.8
189.16307	10.1
195.12314	8.4
197.13315	3.0
199.14742	9.9
201.16374	11.7
203.17931	7.7
205.19623	1.6
208.95313	1.3
211.14850	3.3
212.15762	1.2
213.16295	9.4
215.17955	8.8
217.19472	3.6
225.16365	2.6
226.03711	1.3
227.17931	6.4
229.19495	6.1
231.21072	5.1
239.17932	2.0
241.19489	5.4
243.21086	6.1
245.22693	3.6
253.19559	3.0
255.21129	3.6
257.22668	6.9
259.24405	1.7
267.21249	2.0
269.22595	6.6
271.24167	3.7
283.24191	5.1
285.25650	2.5
297.25900	3.9
299.27466	2.0
309.25696	2.2
311.27390	2.1
325.28931	4.8
337.29044	2.3
351.30490	4.8
363.15967	2.1
377.17654	5.4
378.18198	3.7
389.34125	5.7
392.19653	3.5
407.22220	28.6
407.36697	100.0
408.22626	5.7
408.37024	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	408.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25826	0.3
70.95057	0.8
76.94545	0.3
88.22035	0.3
95.11441	0.3
101.00847	0.8
113.90466	0.3
119.01902	5.2
137.02942	2.5
158.99837	0.5
175.02979	0.3
177.00931	12.0
178.01050	1.1
182.99921	0.4
192.22525	0.3
195.02158	0.3
201.00903	0.9
217.04065	2.8
219.01974	25.6
220.02191	1.9
225.00780	2.6
243.01961	7.3
244.02065	0.7
259.00037	0.5
260.00110	0.4
261.03024	100.0
262.03149	7.5
263.03320	1.0
264.98993	0.5
277.01083	0.7
278.01233	0.3
282.99930	0.9
284.00043	0.6
284.04587	2.8
285.04715	0.6
301.01041	2.4
302.01047	1.3
303.00778	0.8
343.01767	0.4
361.27838	1.1
367.02005	2.8
372.51749	0.4
385.03101	19.4
386.03271	2.0
401.00998	0.4
402.01361	0.4
403.04214	23.6
404.04337	2.6
408.04620	1.6
426.05981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3667
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03926	1.3
55.05501	9.6
57.07072	4.9
65.03916	1.0
67.05493	19.6
69.07059	22.6
69.97855	4.5
71.08613	1.9
79.05482	10.8
79.12454	0.8
81.07043	47.3
82.07389	1.0
83.04952	1.0
83.08603	10.3
86.09676	1.4
91.05471	10.8
93.06461	1.6
93.07031	25.7
95.04957	2.2
95.08592	68.4
96.08933	1.3
97.06512	1.6
97.10152	5.4
99.08019	0.9
103.05457	1.2
105.04485	0.9
105.06377	1.6
105.07020	23.6
106.05167	0.8
107.08582	33.2
109.06520	1.3
109.10143	43.0
111.11691	3.3
117.06988	4.3
119.08564	30.6
120.08904	1.2
121.06513	1.0
121.10125	28.8
123.08096	1.3
123.11692	16.9
125.09624	1.1
125.13207	1.1
129.06958	2.8
130.07736	1.1
131.08540	12.0
133.10112	22.0
135.07959	1.0
135.11668	16.9
137.13225	14.6
142.07739	1.6
142.18936	0.8
143.08557	9.5
144.09291	1.4
145.10091	24.4
147.10493	1.1
147.11665	23.1
149.09651	1.6
149.13251	16.4
151.14784	3.1
155.08517	2.6
156.09233	1.5
157.10132	12.8
158.10786	1.0
159.10414	1.7
159.11671	23.5
160.12384	1.4
161.13240	16.5
162.13699	0.9
163.14777	10.0
165.16380	0.9
169.10124	4.1
171.11690	9.5
172.12407	1.1
173.11893	1.6
173.13239	13.9
175.11206	0.9
175.14796	9.2
177.16347	8.8
181.10130	1.5
183.11620	4.9
185.13232	11.6
186.13878	1.4
187.14775	15.4
188.15401	1.0
189.16347	11.3
191.17946	12.0
195.11659	1.3
197.13243	3.7
199.14799	9.4
200.15289	1.0
201.12843	1.1
201.16357	15.5
203.14200	1.6
203.17932	17.8
204.18155	0.9
205.15799	1.2
205.19450	4.2
209.13275	1.2
211.14780	3.3
212.15465	1.0
213.16344	9.1
214.17131	1.5
215.17908	13.3
216.18140	0.8
217.15916	2.3
217.19485	10.5
223.14774	1.4
225.16348	2.7
226.17149	1.5
227.17917	7.6
228.18568	1.1
229.19550	9.4
231.21063	1.7
237.16376	2.0
239.17963	3.9
241.15797	1.1
241.19463	4.8
243.21078	3.5
245.22514	1.8
253.19496	2.4
255.17499	1.1
255.18042	1.2
255.20964	10.6
257.18726	1.4
257.19482	1.3
257.22607	26.6
265.19653	0.9
267.21045	2.7
269.22559	14.9
270.23065	0.9
271.24161	2.5
279.21164	1.1
281.22531	2.1
283.06146	1.3
283.20715	1.8
283.24124	4.6
293.22668	1.1
295.24191	3.2
296.24646	1.0
297.22464	1.6
297.25717	3.7
307.24081	1.1
309.25735	3.1
310.32434	1.1
311.26962	1.3
319.24200	1.0
323.27267	2.7
325.28638	1.7
333.14975	1.6
337.28729	1.5
351.30209	2.1
364.30927	1.5
365.32132	2.2
389.32095	4.7
407.33145	17.5
407.37106	100.0
408.32593	1.4
408.37503	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3663
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03932	2.2
55.05501	14.4
57.07072	9.2
67.05491	24.2
69.07053	50.6
70.80313	3.1
71.08601	2.6
73.44492	1.1
79.05467	13.0
81.07039	87.8
82.07362	1.7
83.08600	16.0
89.06007	2.7
91.05441	9.7
93.07030	28.1
94.56010	1.2
95.04976	2.1
95.08587	64.0
97.10154	6.8
105.06294	1.7
105.07001	29.3
107.08567	36.7
109.06478	1.4
109.10136	51.0
111.11700	3.7
117.07008	4.0
119.08556	31.5
121.10123	36.4
123.11682	25.3
129.06963	2.3
131.08522	11.3
133.10107	20.2
135.11662	23.0
137.13225	13.9
142.07744	1.5
143.08540	5.2
145.10098	18.4
147.11647	27.0
149.13219	15.7
151.14798	2.1
156.09309	1.7
157.10101	10.8
159.11665	31.7
161.13220	17.9
163.14796	8.2
169.10170	3.0
171.11655	9.1
172.12491	1.4
173.13228	17.8
175.14789	10.6
177.16374	9.4
183.11617	1.9
185.13237	9.8
187.14748	12.1
189.16373	11.7
191.17903	4.4
195.12177	2.6
197.13182	4.7
199.14742	7.4
201.16339	9.7
203.17892	7.9
211.14697	2.2
213.16312	9.2
215.17924	11.1
217.19504	3.6
219.21097	1.9
225.16351	2.2
227.17934	8.5
228.18535	2.7
229.19438	10.1
231.21101	4.0
239.17906	2.4
241.19456	5.5
243.21164	2.8
245.22623	2.2
253.19534	3.1
255.21057	5.4
257.22562	6.5
259.24023	1.6
269.22589	5.5
271.24109	3.1
281.22635	2.7
283.24194	7.3
285.25818	1.9
297.25803	5.6
299.27338	2.1
311.27112	2.1
323.27255	2.4
325.28894	7.3
337.28900	2.5
351.30545	6.1
365.31955	2.2
407.36655	100.0
408.36826	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	407.3664
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
54.05420	1.8
55.05499	12.8
57.07063	15.1
67.05483	20.0
69.07051	28.4
71.08611	13.4
71.32906	3.4
74.17068	1.7
79.05491	10.5
81.07037	51.1
83.08605	13.3
89.06004	4.6
91.05469	9.6
93.07021	22.4
95.04970	2.0
95.08586	85.4
96.08971	2.0
97.10117	7.9
104.27148	1.6
105.07009	22.1
107.08572	39.5
109.06474	1.9
109.10133	40.9
111.11705	4.2
113.00005	13.2
117.07012	3.7
119.08559	24.9
121.02853	2.7
121.10111	30.8
123.11697	20.3
127.11207	2.1
129.07045	2.1
131.08521	8.6
133.10103	29.8
135.11642	21.8
137.13234	20.8
143.08559	3.5
145.10086	14.4
147.11653	20.1
149.02310	87.1
149.13213	15.6
150.02652	3.8
151.14700	2.0
157.10132	7.9
159.11685	16.3
161.13205	12.8
163.14815	13.9
167.03368	9.9
169.02609	12.1
171.11694	7.2
173.13234	9.8
175.14819	7.4
177.16371	12.6
185.13258	5.0
187.14787	10.2
189.16321	15.1
190.16769	1.8
191.17961	13.2
197.13390	2.1
199.14850	5.1
201.16341	10.5
203.17900	17.4
205.19548	5.7
213.16434	5.3
215.17883	9.5
217.19482	8.7
227.17850	12.1
229.19470	12.5
231.21059	3.9
241.19475	4.1
243.21078	6.0
245.22658	3.7
255.21092	7.6
257.22562	13.3
269.22543	12.0
271.24225	2.8
283.24237	5.1
297.25797	3.7
309.25677	3.6
323.27426	2.9
337.29028	3.0
365.31943	14.3
407.36758	100.0
408.36911	7.9
431.81506	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05503	12.3
57.07069	8.9
67.05160	1.4
67.05499	20.2
69.07060	40.1
70.05613	3.2
70.06582	1.7
71.08612	3.6
79.05481	9.7
81.07049	65.6
83.08611	14.7
85.06537	0.9
85.10182	1.4
89.06019	3.0
91.05462	7.9
93.07034	22.3
94.07332	0.9
95.04944	2.0
95.08597	58.6
97.10165	7.6
100.98792	0.8
103.91737	0.8
105.07022	21.6
107.08579	30.6
109.06477	1.1
109.10143	40.6
109.14044	0.7
111.11716	4.2
117.07013	2.6
119.08568	25.4
121.10130	27.9
123.11694	21.4
125.13268	1.4
128.06290	0.8
129.07028	1.8
131.08560	8.7
133.08594	1.8
133.10110	16.9
135.11671	17.8
137.09834	0.8
137.13258	9.9
141.10226	3.1
142.07712	1.3
143.08525	5.8
144.09373	1.2
145.10104	18.9
147.11668	17.6
149.13237	14.1
151.14803	2.8
155.08505	1.6
156.09317	1.2
157.10101	9.7
159.11676	21.0
160.12383	1.4
161.13237	14.8
163.14801	7.4
169.10095	2.0
170.10837	1.8
171.11655	9.9
172.12442	0.9
173.13254	14.0
175.14807	9.3
177.16370	6.5
179.17944	1.5
183.11649	2.3
185.13254	8.8
186.13837	1.1
187.14787	14.6
188.15193	0.9
189.16365	8.4
191.17973	3.6
195.12219	2.5
197.13239	2.2
199.14795	7.4
201.16354	12.7
203.17928	6.7
205.19466	1.7
211.14781	2.2
213.16356	7.8
215.17926	10.2
217.19485	4.1
219.21028	1.1
225.16328	2.5
227.17944	9.1
228.18608	1.7
229.19490	8.8
231.21071	2.8
239.17860	1.8
241.19418	4.6
243.21060	3.1
245.22635	1.9
253.19405	1.6
255.21147	5.3
257.22662	6.4
259.24042	1.6
267.21066	1.6
269.22552	7.8
271.24146	2.9
281.22742	1.7
283.24149	5.9
285.25690	2.1
295.24234	1.5
297.25745	4.4
299.23413	0.8
299.27029	1.6
309.25723	1.5
311.27264	1.9
323.27429	2.7
325.28787	4.1
337.28867	3.4
351.30319	5.6
363.15952	1.1
364.31149	1.6
365.31940	3.0
389.37842	1.1
407.22174	4.8
407.36685	100.0
408.22806	1.0
408.37146	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	407.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56317	3.2
55.05502	21.2
57.03418	4.0
57.07067	26.7
60.52447	3.3
67.05484	30.1
69.07050	20.9
71.04987	18.5
71.08620	12.1
71.62442	3.7
78.87477	2.9
79.05482	22.7
81.07034	64.1
81.87453	3.1
83.08606	12.6
85.06517	7.2
89.06012	6.0
91.05467	27.2
93.07019	65.4
95.04968	8.1
95.08578	64.8
97.06467	5.0
97.10119	8.7
105.07008	48.2
107.08566	43.3
109.06497	10.9
109.10137	28.4
111.08074	14.2
112.99992	79.6
113.09573	4.9
117.07014	8.2
117.91019	3.7
119.08556	57.5
121.10123	32.8
123.08067	7.2
123.11681	14.4
125.05967	10.3
127.13542	3.3
128.06213	4.7
129.07001	6.1
130.07802	5.4
131.08527	24.2
133.10098	33.1
135.11668	15.3
137.09581	10.2
137.13191	3.6
141.06943	5.6
142.07724	6.6
143.08537	13.7
145.10100	47.7
147.11636	24.1
149.02318	5.5
149.13225	12.3
155.08553	4.4
157.10118	29.8
158.10779	3.6
158.24316	3.3
158.57094	3.1
159.11659	41.1
161.13213	16.5
163.14793	6.5
169.02571	100.0
169.10104	13.6
171.11658	20.0
173.13214	22.2
175.11229	4.1
175.14789	14.7
175.78436	3.6
177.12697	4.6
177.16357	6.2
183.11670	10.5
185.13222	10.2
187.14757	18.0
189.16339	9.7
197.13228	5.9
199.14746	9.3
201.16347	14.1
203.18034	6.6
211.14778	9.8
213.16389	14.4
215.17905	16.9
223.14795	6.3
227.17896	9.9
229.19511	6.2
237.16393	4.4
241.19513	4.9
255.21083	7.0
257.22647	10.2
263.78137	4.1
267.21002	5.1
281.22455	16.9
283.06094	5.4
299.68591	3.5
323.27469	5.1
349.29083	6.9
389.31711	9.7
407.22128	17.8
407.32895	76.0
407.37482	6.5
408.22351	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01862	0.8
55.05502	7.7
57.03419	1.0
57.07069	4.5
65.03925	0.8
67.05492	15.6
69.03431	1.5
69.07058	19.7
69.86272	1.6
69.86682	2.4
71.05003	0.7
71.08614	2.6
79.05055	0.7
79.05491	10.3
81.07047	35.8
82.07356	0.8
83.04952	1.4
83.08620	7.6
85.06518	1.0
85.10156	0.8
91.05469	11.2
93.07030	20.5
93.07618	1.3
95.04945	1.3
95.08593	36.9
96.08905	0.7
97.06506	4.1
97.10162	4.0
98.20827	1.2
99.08080	0.8
103.05476	0.7
105.07018	28.1
107.08582	25.6
108.08899	0.9
109.06497	1.6
109.10142	31.5
110.10459	0.8
111.08057	3.1
111.11693	2.5
115.05405	0.9
117.07005	5.3
119.08562	29.9
121.06516	1.0
121.10123	18.8
123.08049	2.0
123.11690	9.8
125.09631	1.6
128.06226	2.3
129.06989	5.4
130.07774	1.3
131.08554	18.0
133.10112	20.7
135.08069	2.0
135.11670	12.4
137.09595	1.6
137.13174	3.8
138.33939	0.6
141.06964	2.3
142.07774	3.2
143.08543	14.4
144.09314	1.9
145.10104	25.2
147.08014	1.3
147.11668	16.9
149.09596	2.2
149.13234	9.8
149.14369	1.0
151.11148	0.9
151.14812	1.3
154.07761	1.0
155.08527	4.7
156.09311	2.1
157.10091	16.2
157.11282	1.1
158.10857	1.2
159.11674	23.3
160.12267	0.9
161.09601	2.1
161.13223	11.4
163.11195	1.6
163.14795	6.6
165.12708	0.9
165.16298	0.8
167.08580	0.8
168.09322	1.2
169.10103	7.7
170.10858	0.7
171.11691	11.8
173.09636	4.9
173.13231	15.2
174.13751	1.1
175.11185	1.9
175.14799	8.4
177.12755	1.6
177.16307	3.5
179.08574	0.8
180.09296	0.8
181.10130	2.7
183.11668	7.1
185.09627	0.7
185.13245	10.9
186.13652	0.8
187.11172	6.8
187.14796	12.8
189.12714	6.4
189.16339	8.8
191.14265	1.4
191.17865	4.0
193.10258	0.7
194.10983	0.8
195.11700	3.8
196.12347	0.9
197.13213	6.5
198.13817	1.0
199.11191	1.9
199.14780	8.3
201.12759	4.8
201.16328	7.8
203.14282	4.6
203.17899	7.1
205.15923	1.6
205.19537	0.9
207.11691	1.0
208.12430	1.0
209.13226	3.8
211.11501	0.7
211.14778	5.3
213.12744	2.6
213.16359	4.3
215.14343	2.0
215.17908	3.4
217.15887	1.7
217.19432	5.1
219.17459	0.7
221.13188	1.0
223.14728	3.3
225.12767	1.2
225.16322	3.9
227.14345	3.2
227.17937	2.4
229.15877	1.7
229.19525	2.5
230.07333	0.6
231.17377	1.0
231.21088	0.8
235.14894	1.8
237.16423	3.7
238.16740	0.7
239.14273	1.7
239.17928	3.3
241.15883	1.6
241.19533	2.6
243.17441	1.1
243.21094	1.8
245.22482	0.6
245.79710	0.6
249.16382	1.6
250.00897	0.7
251.17903	2.7
253.15959	1.2
253.19502	2.8
255.17450	1.6
255.21112	1.3
257.19009	1.2
263.17978	2.0
265.19543	1.5
267.17355	1.3
267.21008	2.0
269.19058	2.3
269.22629	3.4
271.20648	0.8
277.19489	1.6
279.21033	2.6
281.18951	2.4
281.22729	2.3
283.20444	1.5
283.24106	1.5
293.22522	1.2
295.20670	2.5
295.24246	1.4
297.22150	2.8
297.25500	0.8
299.23706	1.4
305.22513	1.4
307.24109	2.5
309.22070	0.7
309.25671	0.9
311.23657	1.9
319.24219	1.3
322.20105	0.7
323.27536	0.8
325.25339	1.8
333.25848	2.1
335.27353	1.6
337.25421	1.0
347.27176	0.8
351.26944	2.7
361.28842	0.8
363.30505	0.9
379.33826	0.9
389.31992	20.4
390.32672	0.8
407.33075	100.0
408.33426	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.2
57.07059	1.9
61.53037	0.4
62.08415	0.4
67.05498	11.8
67.21572	0.4
69.03413	0.7
69.07060	11.7
70.67554	0.5
70.67892	1.4
71.04987	1.2
71.08616	1.1
71.52850	0.4
71.59107	0.4
79.05486	6.7
81.07047	23.1
82.07397	0.6
83.04945	0.4
83.08605	6.3
84.08128	0.8
91.05461	7.3
93.07036	15.3
95.04946	2.0
95.08595	32.5
96.08923	0.8
97.06522	1.7
97.10159	4.3
99.08076	2.0
105.07015	19.4
106.07341	0.6
107.04917	0.6
107.08580	21.1
109.06504	1.7
109.10140	19.3
111.08074	2.6
111.11709	1.3
115.05444	1.0
117.07011	4.2
119.08566	21.9
120.08897	0.5
121.06487	0.5
121.10126	14.9
123.08080	1.2
123.11687	9.4
125.09544	0.9
125.13256	0.6
128.06169	2.3
129.06970	3.0
130.07741	0.7
131.08554	15.5
132.08861	0.5
133.10115	20.3
135.07985	0.7
135.11678	6.9
137.09615	0.8
137.13240	4.5
139.11182	0.9
141.06995	1.7
142.07788	2.5
143.08540	19.6
144.09288	1.0
145.10106	34.0
146.10648	0.8
147.11667	12.0
149.09595	1.0
149.13235	9.6
151.11200	0.9
151.14822	1.0
153.06895	0.5
153.12724	1.2
154.07759	0.5
155.08536	5.3
156.09328	2.3
157.10117	16.4
158.10814	1.2
159.11671	19.0
160.12331	0.5
161.09576	1.2
161.13242	9.3
161.14568	0.6
163.11139	0.9
163.14798	10.9
165.07079	0.6
165.12775	0.7
165.16330	2.0
166.07722	0.5
167.08572	0.9
168.09338	1.1
169.10109	15.2
170.10835	1.6
171.11662	12.2
172.12384	0.8
173.09735	0.4
173.11781	0.5
173.13239	10.6
173.14661	0.7
175.11217	1.0
175.13309	0.9
175.14799	11.5
175.16235	0.8
177.12830	1.2
177.14841	0.4
177.16356	10.0
179.14284	1.5
181.10091	5.9
181.15886	2.0
182.10889	0.9
183.11679	9.9
184.12422	1.6
185.13242	6.5
186.13998	0.6
187.14804	23.3
188.15141	0.8
189.09114	0.6
189.12766	1.2
189.16371	12.7
191.14296	1.4
191.17966	1.8
193.10133	0.7
193.15915	1.1
194.11026	0.6
195.11670	3.0
196.12335	0.7
197.13205	6.4
199.14784	8.8
201.16370	8.5
203.14290	1.4
203.17935	6.9
205.15868	1.0
205.19489	0.6
207.11653	1.0
207.17401	0.5
209.13219	3.1
210.13997	0.9
211.14775	5.2
213.16331	8.2
215.14348	1.3
215.17918	5.6
217.15860	17.0
217.19493	1.2
218.16240	0.7
219.17360	0.8
221.13156	0.8
222.14142	0.5
223.14815	3.5
224.15370	0.9
225.16354	5.8
227.17950	5.6
229.15936	2.5
229.19469	2.8
231.17433	3.8
233.18948	2.4
235.14896	0.5
237.16347	38.9
238.16757	2.2
239.17908	31.1
240.18362	0.7
241.19469	15.5
243.17451	1.9
243.21037	2.5
245.18918	1.4
249.16405	0.8
251.17986	2.5
253.19496	10.9
255.17325	1.0
255.21040	4.4
257.04425	0.6
257.19012	7.1
257.21997	0.5
263.17789	1.1
265.19394	2.8
267.20984	4.5
269.18951	1.8
269.22626	1.5
277.19531	2.2
279.18250	0.8
279.20987	3.8
281.19901	0.5
281.22629	2.5
283.20569	2.1
291.21130	1.0
293.22556	2.2
295.24231	0.9
297.21976	0.7
305.22580	1.1
307.24188	1.3
309.25891	0.7
311.23615	4.1
311.27084	0.8
315.19733	1.0
319.24167	1.3
321.25711	0.7
323.23907	0.5
333.25790	1.6
337.25220	2.4
347.27075	0.7
349.28891	7.5
351.26678	1.0
361.28842	1.0
365.28351	0.6
377.32300	0.5
379.29721	1.4
379.33929	1.1
389.23981	0.6
389.32001	11.9
390.32205	0.9
407.33063	100.0
408.33490	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	407.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.05503	8.9
57.03426	0.8
57.07065	2.6
64.98817	0.5
65.03936	1.1
67.05497	14.8
67.11186	0.5
68.07087	0.5
69.03421	2.9
69.07057	10.9
70.78030	1.7
71.05001	1.3
72.93791	0.6
77.50957	0.5
79.05483	9.6
81.03393	1.3
81.07049	30.2
82.07389	0.9
83.04985	3.8
83.08620	4.9
85.06537	1.0
91.05470	14.1
93.07036	26.2
94.07393	1.0
95.04986	3.1
95.08596	41.3
96.08934	1.0
96.46060	0.5
97.06502	1.2
97.10178	3.1
99.04421	0.6
99.08076	1.3
103.05481	1.1
105.04503	0.6
105.07019	32.6
106.07329	0.6
107.04938	0.8
107.08582	39.2
108.08906	1.2
109.06521	3.7
109.10144	26.4
110.10472	0.6
111.08070	3.3
111.11737	0.7
115.05435	0.9
117.06998	4.5
119.04910	2.7
119.08568	38.8
120.08920	1.7
121.06519	1.4
121.10135	24.1
123.08065	3.1
123.11698	11.4
125.09612	5.8
127.11188	0.6
128.06209	1.6
129.06996	4.3
130.07793	1.6
131.08556	22.5
132.08878	0.7
133.06540	0.5
133.10112	25.5
134.10484	1.0
135.08070	1.6
135.11676	13.0
136.12047	1.1
137.09599	3.2
137.13240	2.9
139.11249	1.1
141.06998	1.4
142.07797	1.7
143.08546	14.1
144.09317	1.8
145.10107	35.9
146.10506	1.2
147.04396	8.0
147.08060	1.2
147.11671	16.6
148.04703	1.2
148.12006	0.6
149.09627	1.6
149.13249	16.5
151.11169	3.2
151.14790	0.9
155.08530	2.9
156.09355	2.3
157.10115	15.0
158.10866	2.3
159.08076	1.3
159.11674	18.8
160.12068	1.5
161.09657	1.3
161.13239	10.2
163.11191	1.8
163.14810	13.7
165.07141	0.7
165.12701	1.2
165.16408	0.8
167.08565	0.7
168.09314	0.9
169.10120	6.1
170.10867	1.3
171.11659	13.0
172.12358	1.5
173.09581	0.8
173.13246	18.4
174.13815	0.8
175.11203	2.3
175.14810	15.7
176.15193	0.8
177.12781	2.1
177.16365	12.1
181.10117	2.1
182.10922	1.1
183.11659	8.0
184.12430	1.3
185.09560	0.6
185.13237	10.2
186.13829	0.8
187.11369	1.4
187.14801	52.4
188.15143	2.6
189.12793	1.7
189.16362	18.8
191.14296	5.3
191.17929	2.9
193.15782	0.7
194.10913	0.7
195.11696	2.2
196.12384	0.8
197.13258	6.3
198.13960	1.1
199.14784	11.7
199.16527	0.8
200.15204	0.7
201.12802	1.8
201.16374	17.5
202.16679	0.7
203.14348	2.7
203.17926	10.4
205.15860	3.6
205.19553	1.4
207.11729	0.7
207.17426	1.0
209.13264	3.2
211.14793	5.2
213.16350	19.0
213.18303	1.0
214.16946	1.6
215.14372	1.8
215.17931	14.6
216.18314	0.9
217.12340	0.8
217.15868	6.1
217.19507	2.6
221.13135	0.7
223.14804	2.6
225.16396	4.9
226.17000	0.7
227.17950	7.4
229.15828	2.5
229.19408	3.3
231.17365	3.9
231.21101	0.7
233.15390	0.7
233.18997	3.7
235.14839	0.7
237.16386	3.4
239.17914	6.2
240.18492	0.7
241.19469	7.8
243.17464	2.0
243.21078	3.9
245.19086	1.4
246.37888	0.6
249.16362	0.6
251.18002	2.1
252.18709	0.6
253.19519	4.8
254.19850	0.6
255.21088	6.1
257.04507	0.9
257.19049	1.7
257.22601	0.8
259.20602	0.9
263.17776	1.2
265.19516	3.7
267.21054	7.4
269.18985	1.1
269.22665	2.1
277.19492	0.7
279.21024	2.6
281.22653	2.1
282.23083	0.6
283.20630	2.0
283.24216	2.2
285.22214	0.9
291.21072	1.1
293.22662	3.0
295.24249	1.1
297.22311	0.9
305.22369	1.4
307.24280	1.6
309.22418	0.8
311.23636	10.2
312.24023	0.8
313.21317	0.6
313.25125	0.7
319.24313	1.8
321.25775	1.1
323.27313	0.6
328.73267	0.6
333.25809	1.7
335.27289	0.7
337.25287	2.3
347.27322	0.7
349.28781	3.8
351.26892	1.1
360.93045	0.5
365.28525	0.7
379.33731	1.1
389.32031	16.8
390.28143	0.6
390.32449	2.1
407.33139	100.0
408.28448	0.8
408.33481	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	407.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.05502	8.8
57.07049	2.0
65.03927	1.3
67.05495	14.7
69.03405	3.1
69.07056	8.5
70.78874	0.7
70.79904	1.6
70.80238	1.3
71.04960	1.0
75.48837	0.7
79.05480	10.1
81.07047	28.7
83.04963	3.8
83.08602	5.5
85.06514	1.0
91.05465	12.1
93.07027	24.6
95.04939	2.2
95.08595	45.6
96.08950	1.3
97.06518	0.9
97.10152	2.0
99.08065	1.8
105.07015	35.8
107.08577	39.0
108.08845	1.0
109.06506	3.3
109.10140	28.3
111.08060	3.5
112.98017	0.6
115.05397	1.1
117.07011	6.0
119.08569	44.3
120.08865	0.8
121.06541	1.1
121.10126	33.5
122.10480	0.6
123.08073	2.1
123.11694	13.3
125.09615	7.2
128.06206	2.0
129.06969	3.5
130.07794	1.5
131.08554	21.7
133.09096	1.2
133.10110	25.1
134.10487	1.0
135.11674	14.7
137.09590	2.8
137.13225	2.3
139.11270	1.0
141.06978	1.5
142.07765	1.8
143.08542	16.2
144.09262	2.3
145.10106	44.3
145.84341	0.7
146.10451	1.4
147.11670	17.8
149.09627	1.5
149.13237	12.1
149.89226	0.7
151.11153	4.6
155.08572	3.7
156.09341	2.0
157.10112	12.2
158.10851	1.7
159.11664	25.6
160.12428	0.8
161.09605	1.4
161.13229	10.2
163.11203	1.3
163.14818	12.6
165.12784	1.2
169.10048	4.4
170.10977	1.4
171.11664	11.1
172.12384	2.7
173.13243	24.1
175.11195	2.1
175.14789	14.0
176.15202	0.9
177.12759	1.2
177.16342	8.5
181.10115	1.0
183.11646	5.4
184.12526	1.1
185.13217	9.7
186.13760	1.0
187.14798	65.6
188.15172	2.4
189.16365	15.6
190.16652	1.1
191.14301	5.9
191.17944	2.0
193.15845	1.4
195.11661	2.0
197.13263	5.2
199.14778	13.3
201.12656	1.0
201.16362	19.9
203.14395	1.9
203.17918	7.3
205.15880	5.5
207.17416	2.8
209.13263	2.6
211.14702	3.8
212.15491	0.8
213.16353	29.0
214.17033	2.2
215.14447	0.9
215.17931	22.9
216.18283	1.0
217.15884	4.1
217.19493	3.1
223.14767	2.6
225.16374	3.2
227.17885	5.8
229.15842	2.9
229.19496	3.5
231.17465	2.4
231.21016	1.0
233.18962	2.7
235.14969	0.8
237.16338	2.6
239.17931	3.9
241.19493	9.0
243.17473	1.9
243.21019	4.8
244.21457	0.8
245.19019	1.1
249.16327	1.0
251.17947	2.0
253.19467	2.4
255.21013	8.0
257.18927	2.1
257.22650	1.1
265.19611	1.4
267.21045	8.4
269.18979	0.8
269.22626	3.1
279.21170	1.8
281.22568	3.8
283.20657	2.4
283.24225	2.3
293.22574	2.0
295.24255	0.9
297.21957	0.8
311.23697	6.8
312.23932	1.2
319.24146	1.7
333.25821	1.2
337.25250	3.1
347.27197	0.8
349.28986	1.6
351.26761	0.9
377.32056	0.8
379.33496	1.8
389.31973	17.7
389.36816	1.3
390.32254	1.0
407.33047	100.0
408.33365	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	407.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.05501	14.1
57.07059	10.4
67.05486	15.8
69.03395	1.9
69.07052	46.0
69.54585	1.3
71.08601	2.6
77.08827	1.3
79.05473	10.6
81.06570	2.0
81.07040	34.4
81.85153	1.4
83.04953	2.2
83.08149	1.7
83.08596	15.8
85.10169	1.7
89.06011	3.6
91.05461	12.1
93.07023	18.4
95.04930	1.8
95.08588	35.5
97.06502	6.7
97.10130	4.7
99.08067	1.8
105.07007	22.0
107.08569	22.9
108.08961	1.2
109.06496	3.7
109.10136	30.2
110.39787	1.3
111.08059	2.5
111.11674	5.2
112.99995	2.4
115.05466	1.2
115.52891	1.1
117.06966	6.7
119.08557	20.9
121.06430	2.7
121.10110	17.5
123.08047	4.6
123.11692	12.6
128.06224	1.3
129.07008	7.0
130.07780	1.2
131.08531	14.6
133.08519	1.4
133.10098	17.0
135.07990	2.4
135.11667	12.5
137.09634	2.0
137.13226	8.1
141.06926	3.4
142.07796	2.4
143.08542	9.3
144.09306	2.3
145.10100	19.7
147.08037	1.7
147.11649	10.6
149.09622	2.0
149.13226	4.8
151.14801	2.6
155.08488	6.4
156.09244	3.2
157.10085	14.6
159.11626	16.3
161.09589	3.1
161.13266	9.7
163.11145	1.5
163.14767	6.7
165.16417	1.5
168.09268	2.0
169.02597	2.0
169.10098	8.8
171.11652	14.2
173.09630	2.9
173.13213	11.5
175.11130	2.4
175.14789	6.8
177.16307	3.6
181.10060	5.1
182.10706	2.3
183.11642	9.2
185.13197	10.8
187.11066	1.9
187.14825	8.0
189.12764	3.1
189.16327	3.9
191.17921	2.8
195.11697	4.3
197.13245	10.7
199.11145	2.4
199.14799	8.2
201.12828	1.4
201.16357	7.0
203.14246	3.7
203.18050	2.6
205.19460	2.2
207.11604	1.7
209.13206	9.2
211.14825	9.2
213.12737	2.3
213.16368	5.7
215.14296	2.1
215.17867	3.6
217.15865	4.1
217.19498	3.4
221.13268	2.2
223.14806	4.5
225.16280	7.2
227.14319	1.2
227.17798	3.2
229.15837	5.7
229.19456	3.5
231.17393	3.8
234.31953	1.4
237.16310	4.5
239.17917	2.5
241.15787	4.2
241.19545	4.0
243.17392	6.8
251.17880	6.4
253.15820	1.5
253.19588	2.0
255.17374	7.0
255.21043	1.8
257.18967	3.3
265.19464	3.0
267.17340	2.7
269.18985	41.9
269.22220	2.8
270.19421	3.2
271.20496	2.4
273.61151	1.3
277.19501	2.0
279.21109	3.6
281.19073	2.5
281.22284	1.4
283.20493	5.4
283.23764	1.6
295.20554	4.2
296.21133	2.1
297.22052	18.2
299.23630	1.7
307.24115	1.4
311.23489	1.6
323.23596	2.8
325.25079	4.7
335.27420	2.9
337.25098	3.1
351.26758	4.4
389.26935	1.5
389.31815	5.9
390.32251	2.2
407.32980	100.0
408.33316	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	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38131	0.5
53.03932	0.6
55.01837	0.5
55.05503	17.8
57.01901	0.5
57.03425	0.7
59.04988	0.7
67.05494	1.5
69.03412	1.6
69.07050	1.0
69.55473	4.1
71.04971	0.6
78.05638	0.5
79.05475	1.0
81.07033	2.6
83.04971	8.4
83.08605	15.0
85.02873	2.3
85.06531	1.0
91.05454	0.9
93.07040	3.6
95.04956	1.2
95.08612	2.4
97.06499	2.1
97.10192	2.7
99.04434	1.7
105.07028	2.9
107.08585	8.8
109.02813	0.7
109.06474	1.1
109.10128	7.9
111.08056	3.1
113.09563	0.6
119.08557	1.0
121.06516	0.9
121.10118	3.5
123.11708	2.4
125.09589	3.4
133.10127	1.9
135.11673	0.7
136.11172	0.6
145.10095	1.7
147.04381	0.6
147.11801	0.8
149.09581	0.5
149.13200	3.3
151.11166	21.5
163.11188	3.4
163.14813	0.6
167.14301	23.6
168.14630	0.8
173.09610	0.8
173.13240	0.8
179.14343	1.0
181.12230	0.7
191.10622	3.6
191.14308	1.3
209.15340	100.0
210.15688	3.9
227.12764	3.0
227.16336	0.7
234.41295	0.5
353.15665	0.7
372.18979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.4
60.27433	1.8
67.05494	4.1
69.03424	3.9
69.07052	6.3
70.06577	2.3
71.14253	3.1
79.05482	5.1
81.07050	18.6
82.78828	1.6
83.04948	3.4
85.02886	8.3
87.04439	8.2
88.02454	1.7
89.55404	1.6
91.05450	4.8
91.41823	1.6
92.49081	1.5
93.07029	16.1
95.08605	9.3
97.02866	2.6
104.26479	1.7
105.03359	2.4
105.07018	9.3
107.08572	11.6
109.02839	2.8
109.06509	3.6
111.08036	2.2
119.08531	7.4
121.02835	5.4
121.10122	48.8
123.08058	3.2
123.10800	3.4
123.11685	56.7
124.03945	2.7
124.11983	2.6
131.08517	4.7
132.41171	1.8
133.10106	8.5
135.08052	6.2
135.11650	2.6
137.05869	2.4
139.07516	2.9
139.11180	2.6
145.10036	2.2
147.11671	11.0
149.09604	19.2
151.11163	26.9
153.09132	1.7
161.13220	2.0
163.07533	6.3
163.14838	2.1
165.12715	9.0
167.07053	17.3
167.10648	71.2
173.13231	15.5
179.32852	2.0
191.06966	3.7
191.14261	16.7
209.07982	2.7
209.11720	2.4
209.15327	14.5
227.09146	16.5
227.12703	4.3
227.16386	100.0
228.16681	3.7
242.75748	2.2
259.11124	2.6
297.08530	2.1
339.09976	1.9
373.11832	2.1
389.13040	4.8
414.87054	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55053	0.6
53.03927	1.2
54.02169	0.6
55.05509	3.2
57.03422	2.8
58.16786	0.6
59.04993	3.3
61.02924	1.1
67.05489	2.9
69.03420	3.1
69.07059	7.6
70.91624	1.9
71.04972	1.5
73.88199	0.5
74.18934	0.5
79.05109	0.4
79.05481	21.0
81.03405	2.2
81.07049	33.2
83.04976	1.1
83.08605	1.4
85.02900	8.9
85.06532	1.2
87.04514	0.9
91.05476	4.2
93.07039	11.1
94.69484	0.7
95.04975	0.7
95.08601	9.9
97.02892	2.4
97.06514	7.4
99.04498	1.1
99.08073	0.8
105.07017	8.9
107.08582	100.0
108.08900	2.2
109.06483	5.0
109.10149	3.8
112.37001	0.6
115.07566	2.8
119.02206	0.7
119.08563	7.6
121.10130	24.0
121.11008	1.5
122.10508	0.8
123.04392	0.7
123.08049	2.5
123.11721	0.8
125.09661	4.0
127.03918	1.4
131.08572	2.9
133.10107	4.7
135.11671	7.5
137.09584	0.9
137.13213	1.2
139.11185	1.2
145.04939	1.7
145.10098	1.7
147.11676	2.5
149.09557	0.8
149.13246	3.4
151.11113	0.8
157.10100	0.9
159.08107	0.7
159.11707	0.8
161.13242	14.9
163.05850	0.7
163.14792	12.3
173.13264	5.1
175.14828	5.4
177.12755	2.7
179.14291	90.8
180.14571	2.6
181.12259	0.7
191.14273	29.5
192.14618	1.6
193.15872	13.1
193.17642	1.0
207.13699	0.8
209.15334	43.7
210.15633	1.0
215.14258	0.8
233.15236	1.5
267.85883	0.7
272.95538	0.7
275.16342	0.9
299.16467	1.0
317.17334	2.1
317.20947	0.6
335.18332	3.2
353.19666	4.2
371.20602	1.7
378.33878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28207	0.7
53.57366	0.7
55.05254	1.2
55.05502	14.3
57.07050	0.8
57.65020	0.7
59.04996	0.9
59.55174	0.6
65.03938	0.7
67.05484	2.0
69.03403	2.7
69.07060	1.9
70.08593	3.4
71.04986	1.4
79.05484	1.6
79.24919	0.7
81.03407	1.2
81.07061	5.1
83.04965	14.0
83.08605	10.9
85.02885	3.0
85.06528	1.4
91.05481	1.6
93.07027	3.2
95.04950	2.7
95.08578	3.0
97.02907	1.1
97.06512	2.9
97.10155	2.6
99.04460	0.8
99.08028	0.8
105.06998	2.7
106.02915	0.7
107.08588	6.7
109.06499	2.4
109.10139	9.2
111.08072	2.7
115.07571	1.8
121.10120	5.0
123.08051	0.8
123.11691	5.0
124.03934	1.4
125.09613	4.4
127.03825	1.0
127.11193	1.3
131.08568	1.6
133.10106	13.2
135.08015	2.2
135.11685	1.9
147.11668	3.1
149.13271	3.7
151.09962	1.0
151.11171	21.4
152.11441	1.0
153.09088	2.9
153.77635	0.8
163.14799	2.1
167.14302	24.9
173.13245	6.3
177.16289	0.7
191.14282	8.7
193.29391	0.7
209.15338	100.0
210.15715	3.5
227.16354	3.5
250.06987	0.9
294.10550	0.9
374.10300	1.4
407.12817	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81626	1.3
55.01863	2.8
55.05503	6.2
57.03432	1.9
61.02902	4.2
65.05315	2.1
67.05477	4.5
69.03414	7.3
69.07061	10.1
69.59715	10.8
71.04984	3.9
74.06722	1.4
78.04689	2.5
79.05481	8.1
81.03407	2.2
81.07041	13.3
83.04955	6.2
83.08604	4.2
85.02886	22.4
85.06532	4.0
86.09689	1.6
87.04449	1.8
91.03941	2.3
91.05441	7.8
93.07027	24.7
95.04955	6.8
95.08584	24.6
97.02872	7.3
97.06507	7.5
97.10198	1.9
98.20743	3.0
99.04442	3.4
99.08060	3.0
103.05463	2.2
105.03370	1.4
105.06997	14.9
105.22068	1.5
106.04160	1.7
106.07368	1.5
107.04935	4.1
107.08573	35.0
108.05290	1.9
109.02897	2.8
109.03817	1.3
109.06495	5.3
109.10136	9.6
111.08067	4.0
112.62471	1.4
115.05422	1.7
115.07577	3.2
119.08569	11.0
121.06468	4.6
121.10120	82.7
121.48638	1.5
122.05998	1.6
122.10455	2.4
123.04400	5.5
123.08028	3.4
123.11705	4.2
125.09615	4.6
127.03869	3.1
131.04897	2.3
131.08554	10.9
131.59599	1.6
133.06468	2.6
133.10100	100.0
134.06801	1.8
134.10413	2.1
135.08034	7.1
135.11694	7.0
137.05962	2.6
137.09584	2.7
139.11154	75.0
140.11523	2.4
145.04956	5.0
145.10078	6.3
147.04398	3.3
147.11621	9.2
149.09619	5.5
149.13199	6.7
151.11148	42.8
152.07024	1.7
153.09082	3.0
158.10919	5.1
161.06061	3.0
162.06297	2.9
163.07529	5.5
163.14798	21.4
164.07877	4.1
165.12729	1.9
167.06993	39.9
167.08392	2.0
167.14262	2.2
168.07324	27.2
173.13232	42.0
177.09135	1.6
179.06972	2.1
179.10677	2.6
181.08530	2.0
182.08890	1.6
189.12689	4.0
191.14278	79.5
192.14563	3.0
193.08546	8.2
194.08925	4.8
207.09901	1.8
209.11888	9.4
209.15326	75.5
210.15727	3.5
227.12842	7.0
227.16309	12.5
265.09576	2.1
269.09232	2.3
297.08646	4.7
315.09625	1.7
324.13019	1.6
339.09589	2.1
356.15680	3.3
371.20572	3.7
389.13409	8.0
407.13211	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	406.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	3.8
55.01856	2.7
55.05502	9.9
56.05005	1.5
57.03425	9.4
58.03749	1.9
59.04995	2.5
61.02901	5.9
61.53848	1.1
65.50042	1.3
67.05489	2.3
69.03414	17.1
69.07037	6.1
69.64920	1.0
69.77682	6.1
69.78097	2.6
70.03748	3.1
70.06580	9.0
71.04984	7.0
73.02905	8.9
75.28693	1.3
76.02203	3.4
79.05476	5.1
81.03410	9.0
81.07050	6.2
82.03757	2.3
82.06544	1.3
83.04955	5.3
83.08598	5.6
84.04477	4.4
85.02890	47.4
85.06520	3.5
86.03214	9.5
86.09676	1.7
87.04421	2.9
91.03928	3.1
91.05457	9.3
93.07027	14.5
95.04939	4.0
95.08584	5.4
97.02873	18.8
97.06497	3.3
98.03214	3.2
98.09686	3.5
98.21320	1.7
99.04417	6.9
99.08073	1.8
102.46217	1.3
103.03944	2.1
103.05429	4.2
105.07027	11.1
105.74333	1.4
107.04916	3.3
107.08571	18.7
107.78437	1.2
109.02863	8.6
109.06499	5.6
109.10141	6.3
110.03185	4.4
111.00790	2.0
111.04465	1.7
111.08055	2.5
112.07587	10.2
113.04236	1.6
115.03898	3.2
116.01669	5.3
117.06991	1.3
119.08578	5.1
121.02860	5.7
121.06454	9.7
121.10122	14.7
123.04399	10.8
123.08026	1.7
123.11677	2.2
125.09592	2.1
126.03103	4.9
127.03963	12.9
128.04230	3.7
131.04936	7.8
131.08551	5.7
133.04935	3.2
133.10107	30.2
135.04399	1.3
135.08051	3.5
135.11653	2.2
137.05997	7.9
137.09584	4.8
139.03853	1.4
139.11098	1.9
140.04675	2.8
140.07072	6.4
141.05460	18.5
141.06535	2.3
141.58525	1.3
142.05791	10.6
145.04941	14.0
145.06400	3.6
145.10097	2.6
146.05272	3.6
147.04420	2.4
147.11700	4.3
149.05951	18.4
149.13240	2.6
151.11176	6.9
155.06953	2.2
156.08452	3.3
156.10207	2.2
157.06831	1.6
158.10887	1.4
159.04428	4.8
162.02205	2.1
163.03894	1.9
163.06067	3.1
163.07515	5.7
163.11111	1.5
163.14786	4.7
165.05440	1.4
167.07013	100.0
167.14281	7.5
168.07324	2.6
169.04941	35.6
169.06348	2.5
170.05267	33.4
173.13214	14.2
177.05432	34.0
178.05797	1.5
180.08722	1.5
181.08630	3.2
191.06992	10.1
191.14265	26.1
209.08089	35.5
209.15327	38.7
211.05978	1.6
215.09192	3.2
226.15053	1.6
227.09102	97.7
228.09431	4.7
233.10089	1.7
244.09492	1.4
252.63344	1.3
259.11053	18.4
285.12872	1.4
406.16165	2.9
407.15244	5.0
418.60101	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.6
55.01854	2.3
55.05499	1.7
56.05030	5.3
57.03418	3.9
58.99319	0.7
58.99574	8.3
61.01104	0.7
67.05472	0.6
68.05003	1.5
69.07059	1.1
70.02920	0.7
70.06142	2.9
70.33740	0.6
73.01112	1.0
74.00652	1.1
76.02216	17.2
76.03984	0.8
79.05481	3.4
80.05003	0.8
81.06580	0.7
81.07043	14.3
83.06071	0.8
84.04491	20.3
84.08134	0.8
85.01132	2.6
85.02905	0.7
85.06483	0.5
86.00636	4.9
86.99040	5.5
87.02684	4.0
88.02190	1.8
89.46874	0.5
91.05468	0.7
93.07009	1.3
94.06554	1.0
95.05004	0.6
95.08599	2.7
96.08098	0.8
97.01066	1.0
97.06498	2.1
98.09670	9.9
99.05553	0.6
99.08092	3.7
102.05521	5.0
105.06986	1.5
110.09642	2.1
111.08045	0.7
112.03915	3.2
113.04204	5.4
115.05794	1.1
116.01659	20.5
121.02850	2.3
121.10094	1.0
122.09623	1.2
123.08031	1.7
123.10403	0.6
127.05761	1.4
129.06557	2.6
129.07393	1.2
130.04993	5.8
130.06848	4.6
130.08624	1.6
133.10100	3.6
135.07982	0.8
135.54944	0.5
139.03966	0.5
139.05769	1.5
142.03185	2.1
142.04984	0.7
143.02701	1.0
144.01118	6.8
145.05954	0.8
148.78978	0.6
156.08388	15.7
156.10155	8.2
157.06804	7.1
162.02171	20.4
167.07002	8.6
174.02267	0.5
174.09445	10.1
179.04814	8.1
187.05396	0.7
188.03702	0.7
189.03204	0.9
191.14348	0.9
209.08034	1.8
209.15361	1.2
210.11296	2.7
216.06844	4.5
227.09077	3.8
233.05818	1.8
237.87032	0.6
242.08324	1.1
245.05855	0.8
248.49814	0.6
259.11069	100.0
260.09122	1.2
260.11664	3.0
277.12079	1.9
285.12570	1.4
308.09079	0.9
313.12097	4.2
318.10895	1.0
329.84341	0.6
331.13092	4.9
332.12833	0.8
333.13318	0.5
343.13303	0.9
388.15399	2.2
389.14001	0.9
406.16290	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.372
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05505	5.5
57.03416	0.5
57.07069	9.7
58.74466	0.3
66.93259	0.3
67.05495	1.1
69.03409	0.8
69.07058	9.8
70.87209	0.7
71.04958	0.5
71.08622	5.9
75.49220	0.4
79.05479	0.7
81.07053	1.8
83.01329	7.0
83.04969	1.1
83.08607	6.5
85.06516	0.5
85.10176	2.5
91.05473	0.5
93.07019	2.3
95.04927	0.4
95.08573	2.2
95.30937	0.3
97.06512	2.9
97.10155	4.1
105.07030	0.5
107.08600	2.7
109.06503	0.8
109.10133	1.6
111.08051	2.5
111.11703	1.2
116.44691	0.3
119.08572	0.4
121.06493	1.3
121.10129	2.6
123.08054	2.2
123.11647	0.7
125.05975	5.1
125.08717	0.5
125.09604	4.3
126.06776	0.7
127.07536	2.3
133.10141	0.5
135.08058	0.9
135.11673	1.9
137.09633	2.1
137.13156	0.4
139.07520	18.9
139.11151	2.5
140.07877	0.7
145.10112	0.5
149.05739	0.3
149.09589	0.9
149.13274	0.9
151.11156	4.1
153.09074	4.7
153.12689	2.3
159.11668	0.9
163.11186	0.6
165.12706	0.9
167.10658	6.4
167.14326	0.8
173.13249	0.8
177.12729	0.7
181.12201	8.6
182.12663	0.4
191.14236	0.8
195.13786	7.1
205.15843	0.4
209.15355	5.1
217.17943	0.3
219.17172	0.4
223.16953	3.1
237.18459	1.6
251.20036	1.7
265.21606	2.2
278.95584	0.4
279.23154	2.2
293.24762	1.4
307.26157	0.5
321.27881	0.9
335.29434	0.9
349.30988	1.0
387.36026	1.1
405.37204	100.0
406.37534	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	405.3721
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
53.03920	0.9
55.01846	1.6
55.05502	2.6
57.07070	6.3
67.05492	6.4
69.03423	0.6
69.07043	2.2
69.71418	2.4
69.71834	0.9
71.08616	5.5
75.25655	0.5
79.05479	1.1
81.07042	1.8
83.01315	1.1
83.04937	0.7
83.08582	1.9
85.02856	0.5
85.06546	0.5
85.10175	3.0
91.05463	4.2
93.07026	25.7
95.04963	1.3
95.08591	15.2
97.06505	1.7
97.07316	0.5
97.10130	1.2
98.20846	1.2
105.04507	0.9
105.07029	0.8
107.08551	3.6
109.10159	1.2
111.08062	13.4
121.06486	1.6
121.10108	1.7
123.11671	0.5
125.05962	1.2
125.09619	1.7
127.07559	1.5
131.43958	0.6
135.11653	1.0
139.07515	13.9
151.11186	1.2
153.09088	9.3
157.08586	1.9
159.11751	0.6
167.10649	6.7
181.12190	6.2
186.68520	0.6
195.13797	4.4
209.15282	3.7
223.16942	2.1
237.18451	1.3
251.20076	0.7
265.21521	0.9
279.23190	1.3
290.91431	0.5
293.24701	0.7
405.37204	100.0
406.37549	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	5.4
57.03406	1.0
57.07069	8.6
67.05494	1.9
67.63693	0.4
69.03417	1.2
69.07049	7.9
69.56653	3.9
69.63710	0.5
70.55325	0.4
71.08624	5.1
79.05460	1.0
81.07034	1.9
83.01324	6.0
83.04965	0.5
83.08603	6.4
85.06529	0.6
85.10181	3.2
91.05466	0.8
93.07030	2.3
95.08577	2.3
96.08904	0.5
97.06496	3.1
97.10149	3.4
103.09426	0.4
105.07003	1.2
107.08582	2.4
109.06500	1.1
109.10150	2.0
111.08053	2.6
111.11673	1.7
111.29575	0.5
121.06483	1.5
121.10132	2.3
123.08028	1.9
123.11702	0.9
125.05976	4.5
125.09601	4.3
127.07533	2.2
133.10054	0.6
135.08006	0.7
135.11646	1.2
137.09618	2.5
139.07510	36.5
139.11145	2.2
140.07820	0.6
149.13248	0.7
151.11159	4.1
153.09091	4.9
153.12746	1.4
165.12679	1.1
167.10646	6.1
167.14256	0.9
177.12663	0.9
179.14265	0.6
181.12195	8.2
191.14343	1.0
195.13757	7.4
209.15347	3.7
223.16928	1.8
237.18556	1.7
251.20073	1.2
251.23779	0.6
265.21548	1.2
279.23181	1.4
293.24692	0.9
307.26114	0.7
311.65225	0.5
321.27747	0.6
349.30991	0.8
387.35992	1.0
405.37189	100.0
406.37488	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	405.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01859	0.6
55.05250	0.6
55.05500	5.6
57.03408	0.5
57.07066	2.1
59.04987	0.5
65.03934	0.5
67.05495	8.0
69.03414	1.9
69.06710	0.6
69.07057	5.7
70.06573	2.0
71.04977	0.6
71.08607	0.5
71.62440	0.7
72.13767	0.4
79.05478	6.6
81.07047	18.2
83.04968	4.7
83.08601	3.3
85.06512	0.6
86.09726	0.8
91.05465	9.4
93.07026	17.5
95.04948	1.8
95.08592	22.2
97.06527	1.2
97.10139	1.6
97.16864	0.4
99.08084	1.5
103.05474	0.5
103.67551	0.4
105.07011	23.6
107.08576	23.1
107.70595	0.4
109.06520	2.9
109.10136	15.6
111.08056	1.9
114.98450	0.4
115.05392	0.8
117.07025	4.2
119.08562	28.7
120.08886	0.9
121.06480	1.4
121.10126	19.4
121.11019	1.0
122.76514	0.4
123.08071	2.4
123.11694	6.6
125.09605	5.0
128.06250	2.4
129.06993	5.6
130.07802	1.1
131.08553	19.1
132.08972	0.5
132.10188	1.0
133.09090	0.9
133.10109	18.4
135.11670	8.5
137.09590	2.0
137.13257	1.0
139.11153	0.6
141.06990	2.1
142.07794	3.0
143.08536	15.3
144.09306	1.1
145.10097	30.4
146.10504	1.2
146.11778	1.5
147.08020	0.5
147.11662	10.8
149.09592	1.1
149.13223	4.8
151.11122	3.0
154.07785	0.7
155.08537	4.6
156.09326	4.6
157.10097	14.9
158.10838	1.6
159.08069	0.5
159.11668	16.4
160.12079	0.6
161.09567	0.9
161.13231	9.4
163.11165	1.3
163.14787	4.2
165.12708	1.0
167.08556	1.2
168.09328	1.1
169.10101	9.8
170.10896	3.4
171.11681	20.2
172.12267	1.6
173.13235	16.2
174.13615	0.8
175.14789	7.8
177.12807	0.6
177.16341	3.1
179.08492	0.6
181.10046	2.6
182.10902	1.5
183.11664	10.8
184.12302	1.2
185.13240	29.6
186.13687	1.6
187.14793	35.3
188.15155	1.7
189.16389	4.2
191.14293	3.7
193.10153	1.4
193.15871	0.9
194.10847	0.6
195.11688	4.2
196.12537	1.1
197.13220	10.1
198.13863	1.1
199.14792	15.5
200.15196	0.9
201.12624	0.7
201.16356	11.6
203.14326	1.8
203.17955	2.6
205.15852	5.9
207.11676	1.6
208.12469	0.5
209.13255	4.6
210.13890	1.0
211.14792	14.8
212.15414	2.5
213.16354	15.1
214.16757	0.6
215.14363	1.3
215.17900	3.8
217.15839	1.8
217.19615	0.7
219.11914	0.6
219.17409	1.6
221.13237	1.3
222.13989	0.9
223.14786	3.6
224.15433	0.6
225.16318	3.7
227.17917	4.0
229.15932	2.7
229.19415	1.1
231.17453	3.9
233.19016	0.6
235.14740	1.8
235.16911	0.5
236.15356	0.5
237.16319	3.1
239.17888	7.3
240.18544	0.7
241.19466	5.9
243.17551	1.0
245.18889	1.3
247.14745	0.9
249.16429	1.5
251.17836	3.0
253.19495	6.9
254.20129	1.3
255.21068	1.8
257.18744	0.8
261.16467	0.9
263.17996	1.8
265.19464	5.0
267.18469	0.7
267.21051	5.0
269.19089	0.9
275.17963	0.5
277.19455	1.3
279.21173	3.1
281.19263	0.6
281.22595	2.0
283.20462	0.7
291.21066	1.6
293.22583	1.5
295.20685	0.7
297.22156	0.5
300.28931	4.2
303.21155	0.7
305.22495	0.6
307.24118	1.0
309.22098	0.6
311.23688	1.0
317.22665	1.3
319.24045	0.7
331.24191	1.3
335.23642	1.7
344.31531	2.8
347.27310	1.6
349.25266	1.1
361.28775	0.5
370.74911	0.5
377.32059	1.7
387.25543	0.5
387.30402	10.9
388.30600	1.1
400.94086	0.5
405.31470	100.0
406.31134	3.7
406.35928	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	405.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80667	0.4
51.56464	0.5
52.82869	0.5
53.03930	1.8
55.01857	2.0
57.03430	8.9
61.02920	5.4
67.05492	0.8
68.99780	1.0
69.03423	14.9
69.07083	0.6
70.06575	1.8
71.04997	2.5
71.28544	0.5
71.28860	0.5
73.02900	2.2
75.04463	1.2
78.01585	0.5
81.03405	9.1
82.06564	1.2
83.04977	1.1
84.08095	0.6
85.02893	50.5
85.06505	0.5
86.03198	0.7
86.09688	1.5
87.04456	1.9
91.03956	3.1
91.05453	1.7
93.07030	1.4
95.04970	1.0
95.08590	0.8
97.02267	1.0
97.02880	14.8
98.03668	0.6
99.04446	6.4
100.07595	0.8
103.03926	2.2
107.08614	0.6
109.02869	16.9
109.06503	0.6
109.10152	0.6
111.00775	3.2
111.04424	0.9
112.07588	0.5
115.03918	0.7
117.05479	2.7
117.25327	0.5
119.04919	0.8
121.06468	0.9
121.10114	1.2
123.04429	1.1
123.08023	0.6
126.03118	10.9
127.03903	18.7
129.05434	0.9
133.10118	0.5
137.09578	1.2
139.03864	0.5
139.11256	0.7
139.12733	0.5
140.07066	0.7
141.05447	38.6
142.05713	0.5
145.04950	16.2
147.04364	0.8
149.05981	0.9
154.02586	1.4
155.03516	0.5
155.10611	0.6
159.06541	0.7
163.05991	2.9
163.07350	0.8
165.21393	0.5
167.07066	3.0
169.04942	100.0
170.05315	1.9
171.06473	0.6
175.03893	0.8
177.05441	0.8
181.12202	0.7
183.06407	0.8
191.07007	0.8
201.07646	0.8
207.06488	1.7
207.13756	1.2
208.06815	1.9
209.08095	1.3
211.05966	2.9
213.14880	1.2
225.07422	1.0
225.14830	2.3
226.07758	0.9
227.09071	1.9
243.08685	1.3
243.11205	0.5
243.15706	1.0
247.11601	0.8
259.11111	0.6
290.09659	0.5
388.19083	0.7
405.13950	1.8
405.21826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1175
Annotation	Chalconaringenin 2'-xyloside
Peak:m/z	Relative Intensity
53.03937	0.4
53.24663	0.4
53.59486	0.4
55.01849	0.8
55.05494	1.0
57.03414	1.0
62.01427	0.4
65.03915	0.9
67.01869	0.5
67.05483	1.4
68.99749	0.5
69.03405	1.6
69.07042	1.1
71.05000	0.4
71.62624	0.7
73.02901	1.5
78.41901	0.4
79.05462	1.8
81.03397	1.1
81.07037	2.1
83.04945	0.8
85.02890	1.5
85.06530	0.8
91.05460	6.2
93.07017	1.5
95.04941	1.5
95.08580	2.3
97.02872	1.3
97.06501	1.9
99.04470	0.4
103.05451	0.5
105.07005	1.8
107.04932	2.5
107.08572	1.5
108.22566	0.4
109.02855	0.5
109.06499	0.7
109.10128	1.3
111.04395	1.0
115.05441	0.7
117.87231	0.5
119.04935	7.6
119.08564	1.0
121.06518	1.2
121.10167	1.4
123.04436	3.1
123.08036	3.8
124.08392	2.3
125.05970	0.6
125.09628	0.9
127.03929	0.8
129.06976	0.8
131.08592	0.9
133.06454	0.5
133.10054	0.8
137.05951	3.6
139.03853	4.1
140.04189	0.9
143.04877	0.8
145.06447	0.9
145.10086	0.9
147.04388	29.9
147.11595	0.5
148.04730	1.0
149.06018	0.5
149.09579	0.5
151.03928	2.0
153.01799	53.7
154.02135	1.2
157.06448	0.5
159.08183	0.5
161.05942	1.2
163.03859	0.7
167.07004	5.6
169.17500	0.4
171.02861	1.7
171.04303	0.6
175.07498	0.9
179.03282	0.5
179.07022	0.9
181.04924	8.4
189.05396	0.9
189.09094	1.2
193.08598	0.8
195.06393	0.4
203.06979	1.7
205.08566	0.9
207.06374	0.6
207.13718	0.8
208.14124	2.1
218.05659	0.5
219.10143	2.2
221.08061	1.3
225.18591	0.7
226.15164	0.9
233.07971	4.1
251.09280	0.5
263.09158	1.0
273.07523	100.0
274.07855	4.7
277.08481	0.5
315.08838	0.6
352.12424	0.5
357.12994	0.5
387.14410	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	405.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
55.01851	0.5
57.03422	0.6
58.21200	0.3
65.03919	1.5
67.59830	0.3
69.03419	3.2
69.86237	2.0
71.01337	0.3
75.78354	0.3
76.62753	0.3
81.03406	4.9
85.02895	6.1
87.00037	0.3
87.04466	0.5
91.05463	0.4
93.03391	0.3
95.04957	6.0
95.24306	0.3
97.02868	3.1
98.20856	0.6
99.04440	0.6
105.05438	0.3
109.02847	2.6
111.04418	1.8
121.02843	100.0
122.03171	1.4
123.06575	0.4
127.03902	2.2
129.05481	0.4
137.05882	0.4
139.03874	16.9
141.05429	0.5
145.04945	1.0
147.04375	0.6
148.55254	0.3
152.48274	0.4
166.72108	0.3
167.06989	0.5
169.04929	1.6
174.65877	0.3
176.04166	0.3
208.06834	0.4
225.07680	0.3
226.07895	0.5
247.06175	0.4
265.07013	7.4
269.36469	0.3
283.08047	14.5
284.08450	0.4
298.07425	0.3
314.50229	0.3
405.21155	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	4.0
57.03434	1.8
63.21308	0.9
67.05476	1.4
69.03413	2.3
69.07054	1.5
70.77863	3.5
71.04943	1.0
79.05462	2.3
80.66680	1.1
81.03390	1.2
81.07043	6.2
83.04963	6.2
84.75179	0.9
85.02893	17.5
85.06523	1.7
91.05459	2.1
93.07023	3.0
95.04946	1.5
95.08596	3.8
97.02814	1.4
97.06516	2.5
99.24841	1.0
105.07041	5.9
107.08573	8.0
108.25114	0.9
109.06503	14.4
109.10107	2.2
111.08088	4.7
119.08571	7.1
121.10118	15.2
123.08044	8.3
123.11693	16.5
124.80235	1.0
125.09660	1.1
131.08536	1.7
133.06479	1.6
133.10115	2.2
135.08025	2.0
135.11711	2.5
137.05899	1.1
137.09596	26.3
137.13187	0.9
138.10002	1.2
145.10126	1.4
147.08014	2.2
147.11652	15.0
149.09601	6.3
151.07494	3.6
151.11122	1.0
158.97890	1.1
161.13240	7.4
163.07436	1.1
163.11128	1.5
165.12724	100.0
166.13055	3.5
167.06989	2.8
171.11665	3.5
174.10419	3.5
179.14293	8.0
189.12723	18.4
207.13768	59.4
208.14146	1.5
225.14798	1.6
314.40750	1.2
318.94165	1.0
334.78207	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02889	0.4
61.57074	0.4
61.61148	0.4
64.55154	0.4
67.05478	0.9
69.03405	1.5
70.60535	1.5
79.05466	1.0
81.03397	1.0
81.07053	0.8
83.04957	1.9
85.02889	4.5
91.05486	0.6
93.07028	1.6
95.04953	1.1
95.08588	3.1
97.02869	1.3
97.06519	1.3
99.08086	0.8
105.03368	2.0
105.07030	1.1
107.08589	1.0
109.02908	0.5
109.06497	1.8
109.10104	0.6
111.04450	0.9
116.23261	0.5
119.04939	0.4
119.08570	1.6
121.06551	0.6
121.10120	3.9
123.08049	100.0
124.08364	2.5
125.05967	0.4
127.03910	0.8
131.08597	0.5
133.10098	0.9
135.11682	1.1
137.06012	0.4
137.09576	0.9
145.04965	1.0
145.10112	1.1
147.11638	0.8
149.09639	1.6
151.07520	1.0
151.11143	2.9
161.09608	0.6
163.11163	1.6
165.12804	0.5
167.10684	1.5
181.12215	10.9
189.12724	1.6
207.13774	4.6
225.14819	21.5
226.15129	0.6
267.08679	1.1
321.79672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20251	0.7
50.69197	0.7
52.23124	0.6
55.05484	1.2
56.44491	0.7
58.86044	0.8
59.04987	0.8
63.23167	0.7
66.29096	0.7
67.05481	1.9
69.03419	1.2
69.07048	1.0
70.60951	0.9
70.61267	2.2
71.04983	4.5
73.15284	0.8
73.52151	0.8
79.05476	2.8
81.03397	1.6
81.07030	2.8
83.04959	2.6
83.08595	2.9
85.02888	6.7
87.04446	5.5
91.05457	2.2
93.07012	2.3
95.04942	3.9
95.08582	2.7
97.02868	1.0
97.06498	2.2
99.04428	7.4
101.05997	0.9
105.07003	2.5
107.08580	34.4
109.06520	6.4
119.08542	2.3
121.10126	9.8
123.08050	100.0
123.11664	6.2
124.08382	3.1
125.05971	1.9
125.09615	28.8
131.08545	3.1
133.10010	1.0
137.09599	1.6
139.03859	5.6
139.11107	4.4
143.10637	1.0
145.10173	0.7
147.11615	3.3
149.09604	38.0
150.09911	1.5
151.07532	5.3
151.11169	0.8
163.11145	0.8
165.12727	3.3
167.10677	12.7
171.11604	0.9
183.13802	4.8
189.12679	5.7
191.10678	1.1
207.13788	13.9
219.10104	2.8
225.14828	91.0
226.15152	3.6
235.13274	2.3
237.14799	1.4
249.14836	3.9
291.15912	1.2
351.18109	1.7
369.18997	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.7
57.18185	2.2
57.22667	2.1
58.98672	2.4
59.67451	2.3
60.62589	1.7
65.67564	1.9
67.05492	2.7
69.03405	4.6
69.07054	3.6
69.48682	19.3
71.04964	3.6
78.40731	2.0
79.05474	3.3
81.07041	3.6
85.02872	2.9
85.06522	7.4
91.05474	12.3
93.07020	5.6
95.04955	3.9
95.08581	7.2
105.03411	3.7
105.07018	42.5
107.08562	12.1
109.06516	12.1
117.07000	3.2
119.08567	47.9
121.10126	11.7
123.08040	9.6
123.11675	4.0
131.08554	9.5
133.06467	2.2
133.10123	2.3
137.09584	6.3
143.08603	2.3
143.17549	2.1
145.10106	13.3
147.11667	72.0
149.09604	17.1
151.07544	6.3
156.09328	3.0
161.13229	5.4
163.07497	2.5
163.11238	3.6
165.12694	5.8
167.07014	15.7
174.10384	2.9
181.04858	2.8
189.12714	49.4
190.13016	3.5
193.08557	2.8
207.13782	100.0
208.14032	2.4
225.14828	5.3
298.60541	2.0
351.17633	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53948	1.1
55.05489	2.4
57.07058	1.2
59.04993	1.6
67.05457	2.6
69.03431	1.9
70.74409	1.4
70.74749	3.7
71.04973	1.8
79.05475	3.4
81.07027	5.1
83.04949	1.8
85.02889	16.3
91.05464	15.5
93.07012	3.5
95.04923	2.3
95.08588	2.8
97.02885	1.5
100.67134	1.2
105.03352	2.1
105.07007	10.1
107.08569	11.3
109.06476	3.0
109.10139	2.5
115.05441	1.6
117.07008	2.1
119.08559	15.0
121.02879	1.3
121.10122	8.7
121.69312	1.2
123.04380	1.5
123.08045	2.7
123.11684	12.4
125.09585	1.7
131.08562	8.9
133.10091	4.7
135.08026	14.8
135.11652	2.9
137.05981	1.9
137.09592	1.8
139.03906	2.0
141.01785	1.2
141.06938	1.2
143.08549	5.6
145.10107	6.5
147.08008	10.9
147.11642	16.2
149.09598	12.3
156.09340	9.0
157.09651	1.2
161.09636	2.4
161.13211	6.5
163.03813	1.3
163.11162	1.3
165.09087	2.6
165.12698	3.1
167.06996	2.6
171.11670	23.5
180.31673	1.2
189.12712	34.6
190.12985	1.4
193.08612	7.6
202.91716	1.1
207.13766	100.0
208.14180	6.3
211.09598	2.3
225.14793	1.3
327.90787	1.2
374.46277	1.4
405.16910	1.3
412.68497	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97165	0.7
53.03941	0.8
55.01878	1.0
55.05492	2.0
57.03429	1.4
57.07060	1.8
61.02920	1.3
62.99820	0.9
67.05504	4.1
68.22414	0.8
69.03411	4.5
70.06586	5.5
70.78194	2.8
71.04968	1.5
79.05475	2.7
81.03400	1.5
81.04539	2.7
81.07040	19.4
85.02890	96.0
86.03245	1.0
91.05465	13.1
93.07034	2.6
95.04934	1.4
95.08584	5.3
97.02866	2.7
98.21523	0.8
99.04399	0.9
105.03372	0.9
105.07008	8.1
107.08582	5.0
109.02863	1.7
109.06493	2.9
109.10132	10.6
112.07606	6.4
115.03983	0.9
119.04922	9.2
119.08569	10.0
121.02858	6.4
121.10126	9.4
123.04426	1.7
123.08054	2.7
123.11689	100.0
124.12037	3.4
125.05972	6.7
125.09609	1.2
127.03938	1.7
127.04967	1.2
131.08528	1.9
132.01978	0.8
133.02859	0.9
133.06458	1.0
133.10100	1.2
137.05948	1.5
137.09608	1.4
139.03856	1.3
140.07066	2.0
145.04942	2.0
145.10124	3.7
147.04385	9.6
147.08009	2.9
147.11679	14.6
147.12801	1.6
148.11932	0.8
149.09567	7.4
151.07475	3.1
156.09229	1.4
161.13217	2.4
163.03906	4.5
163.11108	1.9
165.12772	0.9
167.07021	1.3
169.08635	1.1
171.11624	1.7
175.02463	1.6
175.03888	17.8
179.14207	1.5
180.08784	1.3
181.04984	1.2
189.12721	25.4
190.12938	0.9
192.04089	4.6
193.08560	3.3
207.04529	1.8
207.06502	44.4
207.13766	70.8
208.06918	2.5
208.14119	2.7
211.09669	1.3
225.07536	20.1
225.14821	23.7
226.07996	1.3
242.18027	0.8
253.08182	1.4
265.06970	0.9
283.07947	1.7
384.44666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98146	1.5
57.07075	2.0
66.32190	1.6
67.05492	3.6
69.03423	4.9
69.46909	8.9
69.47318	4.5
79.05495	2.0
81.07049	18.0
85.02894	92.2
88.46595	1.8
91.05457	11.6
95.04956	2.5
95.08565	3.9
97.02854	2.9
105.06992	8.8
107.08578	5.8
109.06516	2.2
109.10126	11.4
119.04947	6.8
119.08556	6.6
121.02837	2.9
121.10127	8.9
123.11692	100.0
124.12020	4.6
125.05982	5.0
131.08548	1.9
145.04871	2.1
145.10114	6.2
147.04405	7.4
147.08098	3.9
147.11679	15.7
149.09657	8.0
151.07500	3.6
165.12784	2.2
171.11620	2.3
175.03925	10.4
189.12706	24.9
192.04123	2.7
193.08592	2.8
207.06535	26.3
207.13776	63.3
225.07613	12.9
225.14804	22.5
225.16573	2.1
227.12814	1.9
252.08635	2.1
340.56146	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02171	1.2
53.03910	1.9
55.01854	2.0
55.05488	4.5
56.05025	1.7
57.03420	1.1
59.12786	1.0
61.02921	2.0
65.03922	2.4
65.64283	1.0
67.04238	11.7
67.05476	4.0
68.05024	1.2
69.03423	5.9
69.07053	17.0
69.92964	7.3
70.06561	4.8
71.04953	2.4
75.56871	1.2
80.04989	3.8
81.03393	2.6
81.07020	2.6
82.06565	74.3
83.04945	3.2
84.08129	12.8
85.02891	14.9
86.09689	87.4
87.04419	1.3
91.05466	13.9
93.07020	4.2
94.06549	2.3
95.04952	5.6
95.08556	1.9
96.08109	3.1
97.02855	6.0
97.06504	2.4
99.04425	3.6
100.07597	73.1
101.88249	1.3
103.05475	1.5
105.07013	2.7
107.04946	2.5
107.08559	2.0
109.02856	2.7
109.06548	2.0
109.07580	2.0
109.10088	1.3
110.06055	5.8
111.06799	3.4
112.07594	5.8
112.11171	1.3
119.04932	25.2
119.08541	1.8
121.02861	2.2
121.06527	2.2
121.10110	1.5
122.06010	2.2
123.04400	5.2
123.15083	1.2
124.07566	1.2
127.03889	6.5
129.05470	1.4
129.06973	2.6
131.08539	1.7
133.10127	2.5
135.08037	2.6
135.11665	1.9
136.07529	15.6
136.08403	2.1
137.06001	2.0
137.09589	1.7
145.04953	4.3
147.04384	23.3
149.02278	1.2
150.12752	4.7
151.07538	1.4
151.12283	1.7
152.14302	3.7
155.08498	2.3
157.03940	2.0
157.06448	4.3
159.07925	1.7
160.11966	1.2
162.05463	8.0
164.04582	2.1
165.05508	8.7
165.06807	1.8
165.13940	1.6
167.07011	6.3
170.07288	1.2
172.08826	12.9
173.09598	6.9
175.03874	39.5
176.04309	2.0
176.11462	2.4
178.12268	3.8
179.07010	2.5
180.08649	2.9
180.11064	1.2
182.08099	10.3
183.06599	1.4
183.08092	2.8
185.09639	6.4
187.07503	2.4
189.09026	1.7
189.12660	2.2
192.04149	10.1
193.12177	1.7
194.12521	1.6
195.14908	22.4
197.07961	1.3
200.10634	13.5
202.12242	3.4
206.12529	1.9
207.06493	100.0
207.13725	4.1
208.06683	1.7
211.07524	2.6
218.11784	1.5
223.14366	9.2
224.13602	3.5
225.07533	50.2
225.14833	2.5
226.08125	1.6
228.10130	4.5
229.08586	6.0
242.13823	1.9
243.11353	1.5
246.11217	38.2
247.11658	1.9
263.13843	30.2
263.16467	2.2
295.16336	7.6
313.19049	3.5
346.58957	1.4
359.19577	29.0
359.23880	2.2
360.19376	1.7
374.20691	1.9
376.22272	17.6
386.20840	3.3
387.19031	23.3
404.21725	75.7
405.15381	7.6
405.21939	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83032	1.0
57.03419	1.2
61.02917	1.4
63.92019	1.0
65.03946	1.4
67.04218	3.7
67.05476	1.1
69.03404	3.5
69.07053	4.5
71.04955	0.9
71.35899	1.6
73.02899	0.9
80.05013	1.8
81.03392	2.4
81.07040	1.0
82.06566	22.7
84.08124	3.6
85.02884	16.0
86.09685	22.7
87.04418	1.1
91.03922	1.7
91.05462	12.9
92.90974	0.9
93.07035	2.2
95.04948	3.1
95.08585	1.1
96.08073	1.1
97.02863	4.4
97.06571	1.7
98.39631	0.8
99.04447	2.1
100.07600	19.0
105.06984	1.4
107.04882	1.5
107.08613	1.1
109.02831	1.5
109.06538	1.3
109.10085	1.3
110.06039	1.9
112.07587	1.5
117.06940	0.9
118.04118	1.1
119.04913	21.5
119.08568	1.6
121.02807	1.2
121.06490	1.3
121.10136	1.6
122.05981	0.9
123.04397	2.7
123.08041	1.6
127.03883	3.2
129.07047	1.4
134.95920	0.9
135.08032	1.9
136.07526	3.9
137.09639	1.9
145.04921	3.6
147.04382	20.9
149.09528	0.9
157.03925	1.8
157.06409	1.1
162.05481	2.0
162.07605	0.9
164.04552	1.5
165.05452	1.6
165.12572	0.9
167.07014	4.4
171.11717	1.1
172.08807	4.1
173.09546	2.1
175.03877	37.5
175.11150	1.3
176.04245	1.5
178.12212	1.1
179.06972	2.2
180.08655	4.5
182.08072	2.7
189.12714	1.7
192.04147	10.8
193.04814	1.5
194.12575	1.3
195.14917	5.8
197.08096	1.1
200.10674	4.0
202.12144	1.1
207.06487	100.0
207.13789	3.6
208.06836	4.8
211.13301	1.0
213.14903	1.1
223.14532	4.2
224.03894	1.0
224.13583	1.9
225.07544	56.1
225.14827	1.3
226.07901	2.1
228.10214	1.9
242.13878	1.7
246.11174	11.1
263.13834	8.5
301.58939	0.9
313.80075	1.0
359.19537	9.4
376.22321	5.0
387.19034	5.8
404.21747	21.4
405.15268	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01018	0.5
53.03929	0.6
55.05498	1.4
57.03430	3.5
57.07051	0.5
58.03780	0.5
59.04992	0.7
61.46035	0.5
63.63064	0.4
65.03907	0.6
67.05494	2.4
68.59476	0.5
69.03425	2.5
69.07060	0.9
70.40668	1.1
70.41064	1.0
71.01346	0.6
71.04994	0.9
73.02906	1.1
75.04459	1.8
79.05480	2.4
80.05818	0.5
81.03421	0.7
81.07051	1.6
82.58078	0.4
83.04966	0.9
83.08614	0.5
85.02891	7.4
85.06539	2.4
91.05466	100.0
92.05800	2.6
93.07030	2.1
95.01332	2.4
95.04945	1.1
95.08591	5.7
97.02873	1.2
97.06510	1.0
98.21418	0.5
99.00793	0.7
99.04443	0.8
99.08085	1.3
103.05426	0.5
105.03377	10.3
105.07014	9.2
106.03723	5.4
107.08591	2.7
109.02871	1.1
109.06499	3.1
113.02362	1.2
113.05991	1.2
117.07032	0.8
117.86230	0.5
119.04924	0.5
119.08563	12.6
121.10143	3.6
123.04407	1.6
123.08036	6.0
123.11656	0.9
124.04737	0.7
125.05952	0.6
127.03883	1.0
127.07555	2.3
128.04207	0.6
131.08539	1.8
132.09380	0.6
133.06491	0.7
133.10103	0.6
135.11703	1.7
137.05969	8.1
137.09584	2.0
137.13249	1.0
139.03903	0.8
141.01813	5.5
145.04944	0.6
145.10088	3.5
147.08023	1.1
147.11673	14.8
149.09578	2.9
151.07555	0.8
156.09358	0.8
159.02847	0.9
159.08109	0.5
161.13188	2.5
163.11186	1.9
165.12727	0.6
167.07045	1.2
171.11691	0.9
179.14307	3.4
181.12262	1.5
189.12718	13.2
193.08580	48.1
194.08946	2.0
195.48341	0.5
207.13773	26.2
211.09625	27.0
212.09970	1.4
225.14929	1.7
249.07404	0.5
250.07954	0.9
267.08652	1.4
268.08960	3.6
351.10873	0.5
351.17957	0.6
353.37708	0.7
369.11932	2.2
369.19202	1.1
404.14316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.05487	12.6
57.07055	6.7
63.45918	2.8
67.05218	2.7
67.05501	33.6
69.07058	27.7
71.04992	3.3
71.15931	2.9
71.62792	4.8
73.10122	2.8
75.96139	2.8
79.05482	27.2
80.11142	2.9
81.03401	4.3
81.07045	69.6
82.07400	3.4
83.08582	6.8
85.06518	3.4
87.47678	3.0
91.05458	28.0
93.07036	56.5
95.04939	8.7
95.08594	100.0
97.06529	4.1
97.10162	3.0
105.07018	73.4
107.08588	59.9
109.06481	7.2
109.10146	41.2
111.08067	26.9
117.07040	17.3
119.08572	58.1
121.06443	4.4
121.10119	42.3
123.08029	4.2
123.11685	30.2
125.09564	4.8
128.06192	4.8
129.01839	7.5
129.06961	11.8
130.07771	4.0
131.07574	4.1
131.08545	46.3
133.10115	52.8
135.08034	6.2
135.11673	32.9
137.09576	3.8
137.13219	11.3
139.11153	12.8
141.06914	4.5
142.07724	3.3
143.08525	36.6
144.09261	3.0
145.10106	79.1
147.08098	3.8
147.11667	42.1
149.09590	7.7
149.13242	25.7
151.11115	2.9
153.09232	3.1
153.12756	4.0
155.08531	13.0
156.09283	3.9
157.01297	6.7
157.10126	39.5
158.10806	5.5
159.11658	43.4
161.09608	7.5
161.13222	38.4
162.55383	3.1
163.11185	8.5
163.14798	10.9
165.12758	11.7
167.06953	4.7
169.10101	18.2
171.11659	32.5
173.09592	5.3
173.13217	32.4
175.11191	10.7
175.14822	17.2
177.12633	5.9
177.16339	8.2
179.14229	18.2
181.10069	7.1
183.02803	4.2
183.11630	20.5
185.08159	4.0
185.13251	31.8
187.11102	3.4
187.14801	40.5
189.12668	4.9
189.16411	5.4
191.14194	6.0
195.11652	6.9
197.13202	12.0
199.14874	20.0
201.12630	7.6
201.16370	12.2
203.10617	4.5
203.14380	5.5
205.12161	7.8
207.13692	4.3
209.13356	7.3
211.14713	11.2
213.12799	5.7
213.16322	10.6
215.14301	4.8
215.17818	4.1
217.12236	6.2
217.15875	5.1
219.13815	6.4
223.14838	7.7
225.16270	5.9
227.17921	5.3
229.15811	5.4
231.13779	10.8
237.16470	4.8
239.18108	4.8
241.19438	4.6
245.15288	13.1
251.17838	3.7
263.16376	6.1
265.19424	10.7
267.21027	11.4
270.39505	3.2
281.22513	5.6
293.22549	6.2
321.25790	6.1
325.21432	4.5
327.23062	4.2
327.26846	4.7
339.23090	10.7
339.26746	13.6
341.28275	6.8
345.24149	4.7
355.26199	11.0
357.27866	11.3
367.22318	4.6
367.26260	19.5
373.09225	18.5
373.27295	23.4
375.30444	4.2
385.27408	32.3
403.13800	20.3
403.24756	7.0
403.29599	77.1
404.13562	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	403.1954
Annotation	Spionoside B
Peak:m/z	Relative Intensity
52.92352	4.4
54.34093	3.9
55.01880	4.4
55.05508	6.9
57.03421	7.6
59.04995	6.1
59.38989	4.1
61.02882	6.1
65.13635	4.3
65.39735	3.9
67.05483	8.2
69.03412	20.5
71.17488	4.4
71.17831	9.8
79.05470	5.0
81.03409	10.0
81.07038	12.3
83.04964	26.0
85.02901	53.9
91.05460	20.6
93.07019	31.2
95.04951	12.4
95.08582	16.5
97.02874	10.0
97.06509	14.0
99.04453	17.4
105.07026	8.5
107.08584	18.0
109.02885	6.6
109.06486	41.8
111.08099	9.4
113.05993	6.7
119.04958	8.1
119.08574	18.9
121.02870	7.8
121.06502	24.7
121.10124	25.6
123.04392	11.0
123.08046	12.7
125.09658	5.1
131.08565	5.1
133.10094	6.9
135.08044	22.1
135.11705	4.2
137.09608	25.7
139.07484	34.4
139.11227	4.8
145.10075	7.8
147.04417	10.4
147.08115	6.0
149.05960	11.1
149.09587	31.5
151.11168	11.0
153.09091	12.7
159.11668	10.8
161.09605	13.8
163.11147	12.5
165.01833	18.0
165.09097	12.6
167.07033	12.7
169.12254	4.9
175.03893	13.8
175.11130	25.9
177.12694	9.4
179.10637	21.5
181.12245	5.1
183.02859	12.7
183.10138	18.4
187.11133	6.7
191.03439	9.4
192.04306	5.8
193.12189	77.2
205.12204	48.4
207.06522	41.6
211.13318	16.2
223.13239	100.0
225.07561	23.5
233.04340	7.3
233.70309	4.4
241.14345	37.1
251.05428	7.2
385.18506	19.7
403.14703	7.6
403.19501	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	403.1592
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02373	0.9
51.50541	0.5
53.03946	3.4
53.04151	0.7
55.01862	1.1
55.05495	2.2
56.47662	0.5
57.03426	1.7
61.02917	1.0
69.03420	8.7
69.66570	2.2
69.67001	2.1
71.04981	4.7
79.05479	8.6
81.03413	7.8
83.04968	3.2
85.02893	17.2
86.09703	0.7
91.05466	1.0
95.04958	5.5
97.02879	3.7
97.06519	1.0
99.04437	1.4
101.05999	10.7
105.03377	100.0
105.06977	0.9
106.03714	1.4
107.08556	0.8
109.02859	6.2
109.06535	0.8
110.02406	0.6
119.07023	4.0
119.08538	0.8
121.02838	4.0
121.10153	1.0
123.04408	22.8
123.05309	1.1
123.08099	0.6
127.03895	7.6
137.08069	10.2
139.03900	1.8
145.04976	2.1
145.10129	0.7
147.04393	1.1
151.03934	0.8
155.90245	0.5
165.05453	1.0
179.06938	0.7
179.10222	0.6
189.05405	0.6
201.05528	0.8
205.12163	0.8
207.06522	0.8
223.13232	0.9
231.06511	1.8
233.08168	0.7
241.14352	1.5
246.80008	0.6
249.07567	8.9
251.05534	0.7
263.05420	0.8
267.08609	29.0
268.08987	1.1
332.00516	0.6
385.12848	1.8
403.13940	1.3
420.91003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
53.79653	1.7
54.98477	1.6
55.01841	2.2
55.05500	4.1
57.03432	1.8
57.07058	1.7
67.05486	4.0
69.03418	11.4
69.07051	6.8
69.73827	10.9
69.94019	1.8
71.04977	2.1
79.05462	3.3
80.81181	2.2
81.03393	2.5
81.07041	4.4
82.06557	6.3
83.04966	11.7
85.02885	9.9
85.06534	2.9
86.09695	9.0
91.05460	16.0
93.07027	56.0
95.04938	13.6
95.08577	7.7
97.02878	3.3
97.06512	2.4
99.04437	14.9
100.07586	5.4
103.05415	2.7
105.07015	3.7
107.04957	2.4
107.08580	5.0
109.02789	2.3
109.06511	8.0
109.10130	2.8
111.08080	2.9
112.44389	1.7
117.06988	3.1
119.04906	6.8
119.08543	6.4
121.02885	3.8
121.06482	100.0
121.10098	5.1
123.04411	9.0
123.08028	3.8
125.09644	1.8
125.61023	1.7
127.03944	3.3
127.07529	8.6
131.08527	3.3
133.10060	2.3
135.07990	10.9
136.07550	2.3
137.05966	2.0
137.09592	5.8
139.07530	5.3
142.71446	1.8
144.09297	1.9
145.10121	4.1
147.02689	1.7
147.04341	9.8
147.08018	4.3
147.11574	1.9
149.09576	6.2
151.07529	2.1
151.11159	3.5
153.09106	4.8
157.10027	1.8
159.11658	10.2
161.05960	2.3
163.11142	3.2
165.01901	2.3
165.09097	4.9
167.07066	3.5
169.12125	2.7
172.08755	1.8
175.03873	11.3
175.11137	9.0
177.12715	4.5
179.06973	2.2
179.10672	3.3
187.11140	7.2
192.04214	1.9
193.12212	5.1
205.12204	63.4
206.12523	2.9
207.06482	33.6
211.13269	13.8
223.13219	35.1
225.07515	15.5
241.09512	2.0
241.14420	8.3
246.11176	4.4
263.14041	1.9
359.19559	3.4
403.14771	2.3
403.19650	3.8
404.21683	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	403.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44906	2.6
69.62327	17.9
98.97574	6.9
116.98581	6.9
119.01903	5.6
119.03956	2.3
134.99686	5.0
137.02910	4.0
152.87927	2.3
177.00941	12.8
190.44388	2.5
219.01985	23.0
220.02089	2.6
225.01138	3.7
234.99991	3.8
243.02068	6.4
253.34436	2.6
258.99893	9.0
261.00198	5.3
261.03046	100.0
262.03256	11.9
263.02823	5.1
277.00934	14.4
278.01007	3.6
278.97559	2.3
279.00757	12.7
282.99893	13.9
283.17392	2.8
284.00034	2.9
284.99869	8.9
301.00958	22.0
302.01138	5.7
303.00882	21.1
319.02032	2.8
361.00314	4.2
367.02386	3.5
385.03409	17.1
398.97690	6.1
401.01056	4.1
403.00482	14.2
403.04297	23.2
404.00745	3.0
404.05148	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
51.02362	0.5
53.03937	3.3
55.01875	0.5
55.05507	0.6
57.03421	2.2
59.04984	1.3
61.02922	1.3
64.61263	0.5
67.05473	0.5
69.03419	8.8
69.07056	0.9
71.04990	1.1
77.03905	0.7
79.05487	9.6
80.66160	0.4
81.03410	7.2
81.07044	1.7
83.04974	1.4
83.08588	0.6
85.02897	19.0
85.06522	0.7
91.05477	1.2
92.34283	0.5
93.07041	2.7
95.04961	5.1
95.08633	1.2
97.02901	3.7
97.06507	1.1
97.68291	0.4
99.04471	1.3
101.06009	1.3
105.03381	100.0
105.07023	1.1
106.03721	1.5
107.04967	0.7
107.08580	1.6
109.02865	5.4
109.06517	1.2
109.10132	0.9
117.06955	0.8
119.04975	0.7
119.07059	1.5
119.08546	1.2
121.06495	1.0
121.10148	3.4
123.04413	21.8
123.08066	1.3
123.11723	0.6
125.09584	1.0
127.03905	8.2
129.01779	0.7
131.08504	0.7
133.10153	0.6
135.04362	0.5
135.08047	0.6
135.11697	0.5
137.05972	0.7
137.08093	1.3
137.09621	0.6
139.11162	0.8
145.04939	2.1
145.10081	0.7
147.04369	0.9
147.07933	0.4
147.11655	0.7
148.04829	0.5
149.06062	0.5
149.09641	1.4
151.07462	0.5
163.03760	0.6
163.11131	0.5
165.05455	1.1
165.09119	1.3
167.07108	1.1
169.08640	0.5
175.11171	0.6
179.07071	0.6
181.04926	0.6
193.12215	0.8
205.12221	1.3
205.15778	0.6
223.13242	2.5
223.16873	1.6
225.19830	0.4
231.06509	1.8
235.09497	0.5
241.14337	3.8
241.18034	1.1
249.07567	7.4
267.08609	27.9
268.08975	0.8
385.12866	0.9
403.13861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	4.0
55.05501	30.4
55.82442	3.8
57.03429	21.3
57.03653	4.7
60.65004	4.2
63.61094	4.2
65.03928	4.3
67.05496	52.0
69.03410	9.5
69.07061	45.8
71.05005	8.4
71.62715	6.3
71.63096	4.4
79.05479	61.3
81.03377	7.2
81.07050	100.0
83.04951	15.9
83.08605	18.9
85.06490	7.4
85.64454	4.0
86.09724	5.0
90.54587	4.2
91.05458	46.2
93.07028	62.6
95.04951	12.9
95.08609	36.4
97.02898	4.5
97.06501	19.4
97.10162	11.0
99.08062	6.0
105.07017	39.6
107.04952	8.0
107.08572	43.1
109.02853	4.8
109.06508	13.4
109.10117	16.5
111.08069	7.3
117.07011	13.1
119.08582	30.7
121.06494	7.4
121.10143	26.8
122.10477	4.2
123.08042	7.1
123.11654	7.3
125.09613	11.9
129.01802	4.9
129.06937	5.1
131.07689	4.3
131.08521	27.2
133.10136	28.7
135.08040	6.3
135.11676	32.7
137.09512	6.8
143.08510	6.9
145.10098	19.2
147.11674	16.9
149.09619	15.0
149.13211	22.4
155.08447	5.0
157.10027	11.2
159.11603	21.4
163.11160	8.3
171.11540	6.1
173.13168	10.1
175.14778	5.4
177.12653	20.6
185.11055	4.3
187.10976	4.8
189.12762	5.7
195.13715	9.7
199.14717	6.1
207.13800	4.2
227.12715	13.7
246.72704	4.3
247.20630	5.8
255.15869	64.3
257.18988	13.7
269.17441	91.8
270.91006	4.2
275.20059	35.4
349.23767	31.1
367.24701	5.1
373.09164	7.2
402.28247	6.3
403.13898	12.2
403.29660	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	402.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.2
53.44072	3.3
55.01860	4.4
55.05502	32.1
55.32372	3.4
57.03427	24.3
57.07058	2.9
64.10858	3.3
67.05492	83.7
69.03408	10.0
69.06712	4.6
69.07057	58.3
69.42384	5.7
69.42720	32.3
71.04979	9.1
74.09755	3.1
74.38419	3.2
79.05480	66.4
80.09805	3.5
81.03410	9.5
81.07043	100.0
83.04971	16.8
83.08604	27.0
85.02897	5.3
85.06508	7.0
87.04448	3.9
91.05462	53.5
93.07024	83.0
95.04940	16.7
95.08585	46.5
97.02833	3.6
97.06499	21.9
97.10136	20.2
97.24489	3.2
98.21468	6.2
99.08064	8.8
102.18410	3.2
105.07014	45.9
107.04937	9.1
107.08572	61.8
109.02863	6.3
109.06512	6.0
109.10121	17.8
111.08038	6.8
117.06999	20.2
119.08564	43.0
121.06492	7.0
121.10117	26.1
123.08045	6.2
123.11692	5.7
125.09632	13.3
129.01859	3.7
129.07010	3.9
131.08548	28.9
133.10091	38.3
135.08012	5.8
135.11687	28.4
137.09599	6.6
143.08522	5.1
145.10120	21.0
147.11621	21.6
149.09578	12.0
149.13251	21.3
157.10094	9.9
159.11691	27.3
161.09622	5.1
161.13210	11.6
163.11128	13.9
163.14748	3.9
171.11607	5.7
173.13239	15.9
177.12766	13.9
179.14235	3.2
181.12250	4.4
183.11673	6.3
185.13269	5.3
189.11154	4.9
193.12440	3.8
195.13776	11.9
197.13206	6.4
215.18033	3.5
227.12775	14.3
229.19722	4.9
239.17830	7.8
247.20692	4.9
255.15851	51.8
257.18979	11.6
269.17413	94.9
275.20010	49.0
286.20084	8.2
349.23685	58.5
367.24814	12.8
373.09320	5.6
384.27094	5.1
402.28241	6.0
403.13956	3.9
403.24927	4.7
405.17029	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	402.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03402	0.2
61.69817	0.2
65.03926	0.6
69.03419	0.4
69.07065	0.3
69.99889	1.1
77.06262	0.2
79.05483	0.6
81.03397	0.7
81.05756	0.2
81.07037	0.5
81.73931	0.2
81.96575	0.2
82.07379	0.2
83.04967	0.3
85.02895	0.7
85.06530	0.3
91.05465	6.4
93.07024	0.5
95.04946	0.3
95.08569	0.4
96.81638	0.2
97.02885	0.5
98.98489	0.2
105.03362	0.3
105.07011	0.7
107.04914	0.4
107.08598	0.3
108.05288	0.3
109.02851	0.3
109.06487	0.3
109.10129	0.4
118.10758	0.2
119.04922	19.2
119.08580	0.5
120.05258	0.5
121.02856	0.5
121.10136	0.2
123.04413	1.0
127.03905	0.3
131.04921	0.8
133.10149	0.3
135.11681	0.2
139.03882	0.4
139.97865	0.2
145.10126	0.2
147.04387	100.0
148.04710	3.6
149.04892	0.3
151.07466	0.3
153.05409	0.3
159.38609	0.2
165.05470	2.3
167.07002	1.3
168.07384	0.6
177.05421	0.2
181.04913	0.2
187.07448	0.3
205.12308	0.3
221.15327	0.4
222.15721	0.6
223.09605	1.8
223.13216	0.4
223.16920	0.3
232.08220	0.2
233.08127	0.4
240.16556	0.2
241.17929	0.3
248.07825	0.2
270.08347	0.3
283.08743	0.2
291.08801	0.5
309.09717	2.3
316.09012	0.5
331.11349	0.8
337.10196	0.2
352.12402	0.3
384.15347	0.7
385.12521	0.4
402.16235	0.4
403.14285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01855	0.3
55.05497	0.5
57.03415	0.6
57.07056	1.1
61.02915	0.4
63.91076	0.4
67.05480	1.0
69.03407	1.3
70.06584	0.4
70.95725	0.9
71.04973	0.3
73.02921	0.4
73.06538	0.5
73.61127	0.4
74.24968	0.3
81.03381	0.5
85.02897	2.9
85.06506	0.6
91.05468	2.6
93.07023	4.3
95.04955	0.7
97.02867	1.7
101.00890	0.4
103.05453	3.0
107.04890	0.5
109.02879	0.5
113.72997	0.3
116.98630	0.3
119.01910	0.6
121.06484	100.0
122.06822	1.8
124.11010	0.3
127.03919	0.7
138.09116	37.4
139.09456	0.4
143.01888	1.1
145.04881	0.5
147.04433	0.5
147.05751	0.9
151.07454	0.3
157.03436	0.4
161.02917	1.3
163.03905	0.6
167.07086	0.6
170.04300	0.3
173.02943	0.7
173.06613	0.7
174.04434	0.4
185.03035	0.4
185.06578	0.6
191.07538	0.5
193.09189	0.4
203.03955	0.7
203.07562	0.4
219.07890	3.9
219.57974	1.3
221.05009	0.7
228.08388	0.5
270.11249	1.2
270.61499	0.5
275.09814	1.7
276.09589	0.3
293.10754	2.4
335.11676	1.6
336.11975	0.6
402.12918	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05475	0.2
55.07346	0.3
57.03431	0.2
59.04984	0.2
65.03937	0.7
67.05480	0.3
68.59588	0.2
69.03403	0.6
69.07072	0.2
69.45359	1.1
69.45775	0.5
70.06613	0.2
75.26253	0.2
79.05479	0.3
81.02995	0.2
81.03411	0.9
81.07040	0.7
81.74467	0.2
83.04986	0.2
84.88351	0.2
85.02896	1.0
85.06533	0.4
85.65253	0.2
91.05470	6.0
93.07039	0.6
95.04974	0.3
95.08600	0.4
97.02877	0.3
97.81302	0.2
103.05502	0.4
105.03434	0.3
105.07001	0.7
107.04947	0.5
107.08572	0.5
109.02849	0.3
109.06506	0.3
109.10135	0.6
110.06923	0.2
111.04408	0.2
111.08057	0.2
116.31522	0.2
118.96081	0.2
119.04926	17.3
119.08595	0.7
120.05272	0.5
121.02869	0.7
121.06475	0.2
121.10126	0.3
123.04423	0.8
127.03825	0.4
131.04883	1.0
131.08516	0.2
133.10039	0.2
135.11699	0.3
137.05862	0.2
137.09543	0.3
139.03894	0.4
144.50146	0.2
145.04994	0.2
145.06459	0.2
145.10107	0.6
147.04388	100.0
148.04727	3.6
148.81798	0.2
149.05930	0.5
153.05463	0.3
157.14128	0.2
159.11685	0.2
161.05963	0.2
165.05470	2.4
167.07054	1.2
168.07387	0.5
179.67261	0.2
181.04918	0.3
187.07381	0.2
205.08563	0.3
205.12209	0.4
217.08601	0.3
221.15530	0.2
222.15704	0.4
223.09605	2.2
223.13165	0.3
223.16951	0.3
240.16454	0.3
241.17973	0.4
248.07890	0.3
264.10736	0.2
291.08527	0.5
306.66217	0.2
309.09647	2.0
316.08923	0.5
331.11249	0.6
338.11075	0.2
352.12579	0.3
367.12219	0.2
384.15381	1.0
385.12616	0.4
402.15854	0.5
403.14038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.3
57.03404	2.1
61.02916	2.3
65.74690	1.3
68.63757	1.4
69.03419	2.5
69.66167	5.4
69.66600	5.0
81.03385	2.6
81.29728	1.4
84.21585	1.4
85.02874	3.0
87.00804	2.6
95.04964	2.2
96.04486	1.4
97.02863	2.2
98.20749	1.4
101.69505	1.3
103.05476	2.6
105.33186	1.6
106.02903	7.0
109.02858	2.0
112.92550	1.3
113.63542	1.3
117.05461	1.9
117.07015	1.5
119.03384	3.0
121.02867	2.5
123.04405	2.8
124.03904	8.9
131.04912	11.6
133.06433	3.2
139.03883	2.6
141.06964	4.5
143.03426	2.6
145.06482	2.1
146.03586	2.4
147.04402	2.6
149.05957	1.7
150.96548	1.4
155.06998	3.1
157.02928	1.7
157.06442	2.7
159.04431	1.8
161.05933	5.6
167.07021	2.0
169.06490	7.2
171.04314	2.7
173.05984	2.9
175.03841	1.7
176.04655	3.4
177.05417	2.6
180.07799	7.1
181.04890	1.5
185.05907	1.9
186.06680	2.6
187.03906	12.6
187.07523	5.1
189.01918	2.2
189.05457	5.6
191.07011	23.6
193.08524	4.2
194.11847	1.9
197.05966	8.2
199.03926	1.7
201.05492	1.8
201.09131	2.5
203.03438	1.8
203.07050	4.2
204.04141	10.7
205.08577	2.4
207.06551	2.6
211.07611	1.8
213.05533	2.2
214.06198	4.0
215.06963	10.8
217.04919	4.0
217.08583	2.8
218.05754	2.4
219.06471	17.8
221.07910	2.0
223.13318	2.2
229.08583	6.2
231.06523	4.6
232.07097	2.2
233.07976	1.8
235.06013	2.7
240.12306	3.2
241.14343	2.2
242.05707	2.2
243.06512	7.2
245.04469	6.3
245.07993	7.7
247.09550	8.2
250.07089	3.3
257.08032	12.5
260.06778	18.0
261.07416	3.4
262.04742	2.5
268.08102	5.2
273.07678	4.1
275.09097	100.0
276.09448	4.1
277.07104	13.1
277.79828	1.6
287.05469	7.6
293.10211	3.7
301.06937	8.6
302.07654	1.4
319.08057	25.0
337.09125	50.6
338.09418	1.7
355.10104	3.0
403.14020	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.8
57.07054	5.0
59.54183	1.5
67.05160	1.9
67.05498	26.0
69.07062	13.3
71.08618	3.6
71.62759	1.8
79.05485	9.3
81.07042	40.2
83.08610	8.1
91.05455	10.2
93.07027	21.5
94.07394	1.6
95.04960	1.6
95.08591	100.0
96.08926	2.0
97.06508	1.6
97.10153	3.9
105.07013	29.0
107.08581	25.8
109.10143	58.8
111.11703	1.6
117.06993	5.2
119.08556	17.2
121.06508	1.7
121.10123	19.7
123.11684	7.8
129.06973	2.3
131.08543	16.0
133.10101	20.6
135.11678	10.3
137.13251	13.5
142.07726	1.6
143.08537	7.6
145.10117	20.8
147.11673	18.1
149.05952	2.0
149.09564	2.8
149.13246	14.3
151.14799	32.2
155.08549	1.7
156.09334	1.4
157.10110	8.5
159.11661	14.1
161.13243	19.0
163.11099	2.0
163.14793	19.5
165.16356	3.6
169.10095	2.3
171.11641	8.5
173.13208	11.1
175.14796	5.3
177.09157	1.9
177.12717	1.6
177.16350	13.4
179.14333	1.9
183.11716	3.0
185.13222	10.0
187.14778	11.5
189.12688	1.8
189.16344	3.9
190.60620	1.4
191.10703	3.0
191.17873	7.0
193.12201	2.6
197.13188	2.7
199.14766	4.6
201.16310	2.8
203.10626	3.4
203.14294	1.9
205.12144	2.4
205.19528	2.2
207.13739	4.8
209.11711	4.5
211.14796	1.5
213.12532	1.4
217.12160	5.5
219.13773	5.7
231.13866	7.8
233.15338	4.9
237.14757	1.9
245.15381	5.1
247.16763	1.7
249.14757	2.0
263.16428	3.7
281.22696	1.5
285.18402	2.4
287.20172	1.6
313.21295	1.4
337.28818	5.1
355.29834	4.4
365.28308	2.3
383.29370	20.1
401.18170	3.3
401.30417	54.1
402.30826	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2531
Annotation	Pumilaside B
Peak:m/z	Relative Intensity
53.03938	6.2
55.01872	5.0
55.05506	30.6
57.03403	3.9
57.07061	15.8
58.76553	3.5
59.04993	4.9
67.05501	31.5
69.03425	18.3
69.07064	31.3
69.33929	22.4
69.34355	16.6
71.01325	3.3
71.04982	28.4
73.02906	7.2
79.05475	32.8
81.03405	8.2
81.07048	100.0
83.04973	5.3
83.08603	22.8
85.02896	39.2
85.06557	9.6
91.05471	22.4
93.07042	58.2
94.07363	5.4
95.04969	10.9
95.08600	91.5
97.02870	10.2
97.06521	8.4
97.10160	8.5
99.08078	16.3
105.07018	44.1
107.04941	7.4
107.08580	81.7
109.02828	6.2
109.06537	8.9
109.10137	57.6
111.04440	4.2
111.08102	9.7
111.11700	8.7
113.09647	5.1
115.03902	5.1
117.07011	7.8
119.08557	56.7
121.10131	43.0
123.04433	5.1
123.08049	13.8
123.11670	44.5
125.09600	18.0
127.03903	11.5
127.11190	19.1
131.08569	9.9
133.04913	6.4
133.10127	37.7
135.08093	4.3
135.11676	86.2
137.13228	22.0
139.11172	4.4
143.08536	5.6
143.10660	39.0
145.10078	18.1
147.11678	34.7
149.09557	5.8
149.13223	31.2
153.01805	13.1
153.12735	14.4
156.05782	4.3
157.10149	8.1
159.07976	4.4
159.11638	22.1
161.09598	5.7
161.13315	19.4
163.11151	5.0
163.14790	10.0
167.07050	9.1
169.10204	7.1
171.11641	7.9
173.09627	4.3
175.14824	9.4
177.16246	4.9
181.04912	4.3
189.12846	6.0
199.90315	3.9
203.14236	4.0
203.17928	57.9
205.19470	21.4
215.17818	3.9
217.08568	6.7
221.15398	5.8
221.18994	42.2
223.20413	5.7
233.18942	4.4
239.16374	4.8
239.20078	8.5
245.18887	5.9
247.09779	5.2
315.08597	8.0
319.09842	3.6
329.21118	5.9
330.10922	8.8
347.22333	5.6
365.23358	5.0
383.14932	6.6
383.24393	6.2
401.16202	7.9
401.26288	4.1
402.16281	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	401.2526
Annotation	Pterodontoside H
Peak:m/z	Relative Intensity
50.58703	6.2
51.02362	6.6
52.72552	6.0
53.03930	9.7
55.01846	7.2
55.05497	39.1
57.03431	11.8
61.02922	9.4
67.05482	31.9
69.03419	24.6
69.07054	37.5
71.04980	29.0
71.21666	18.1
73.02885	7.6
79.05481	28.8
81.03387	13.1
81.07049	100.0
83.04974	13.2
83.08611	21.0
85.02892	48.2
85.06551	8.8
91.05462	22.1
93.07021	69.3
95.04950	14.3
95.08592	79.2
97.02880	13.4
97.10166	11.2
101.54861	7.5
105.03387	12.8
105.07001	53.8
107.08573	95.4
109.06480	8.9
109.10139	59.9
111.08050	11.3
111.11724	10.0
119.08571	90.6
121.10139	47.5
123.08008	16.4
123.11684	63.5
125.09619	20.5
127.11154	26.5
129.06953	10.2
131.08560	21.5
133.10109	43.4
135.11685	87.5
137.09576	15.6
137.13196	13.0
142.07695	7.9
143.10645	36.9
145.10117	24.9
147.11678	44.4
149.13242	32.1
151.11179	12.2
153.12688	11.2
157.10141	23.1
159.08005	9.4
159.11662	32.0
161.13261	29.9
163.14845	11.9
169.10188	7.6
171.11621	14.9
173.13260	14.7
177.12709	8.0
197.13142	7.5
203.17949	66.5
205.19505	18.0
207.11661	10.6
213.12865	9.4
219.17426	10.9
221.18939	77.2
225.12703	11.0
239.20163	7.5
243.17642	6.2
245.19116	7.8
271.15610	6.3
314.57495	7.8
329.21027	14.5
347.21927	13.2
365.23099	9.6
383.24335	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	401.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.1
53.18307	2.5
55.01862	8.5
55.05509	32.1
57.03426	9.0
57.07059	8.6
59.04983	5.7
61.02915	3.7
67.05492	29.4
69.03424	28.5
69.07060	28.9
71.04983	32.1
71.62309	3.0
71.62712	3.5
73.02905	6.6
73.06553	3.2
79.05125	3.1
79.05496	35.4
81.03414	13.2
81.07053	100.0
83.04965	10.5
83.08607	20.4
85.02902	38.3
85.06543	17.6
87.00803	3.0
91.05466	25.8
93.07034	66.9
95.04951	18.8
95.08601	55.5
97.02898	13.0
97.06517	11.6
97.10166	5.8
99.04426	7.7
99.08086	8.6
103.03955	2.9
105.03382	8.8
105.07023	54.4
107.04950	9.0
107.08588	77.9
109.02874	6.4
109.06510	11.0
109.10141	58.2
111.04427	7.4
111.08073	7.8
111.11717	4.5
113.09635	3.8
117.07012	11.7
119.08571	65.3
120.99950	3.0
121.06504	8.7
121.10136	39.6
123.04414	11.3
123.08067	19.5
123.11700	45.5
124.03941	10.6
125.09576	16.2
127.03890	9.7
127.07549	4.9
127.11177	28.6
129.06984	7.1
131.04936	5.0
131.08537	13.3
133.04984	3.9
133.06473	4.9
133.10115	50.9
135.08052	8.6
135.11678	99.1
137.06052	3.8
137.09584	7.4
137.13219	16.1
139.03905	12.2
139.11177	7.7
139.84885	3.1
141.12723	2.7
142.07745	3.6
143.08543	7.2
143.10638	28.1
144.09235	3.9
145.04939	6.9
145.10121	20.3
147.08041	5.4
147.11676	34.0
148.94490	2.8
149.09599	6.7
149.13258	26.8
151.07529	5.4
151.11171	6.6
153.12721	11.6
157.10132	13.0
159.08000	3.8
159.11684	18.3
161.09590	8.2
161.13231	20.8
163.11206	7.1
163.14832	7.2
165.09094	4.6
165.12703	9.0
167.07069	15.5
167.10724	4.1
169.10121	5.8
170.10866	2.8
171.08012	3.4
171.11673	6.9
173.09520	3.0
173.13277	9.5
175.11168	5.5
175.14769	8.8
179.10629	3.7
181.05006	3.8
183.11681	5.8
185.13261	5.7
187.11198	4.5
189.12747	2.8
193.15796	4.0
195.11835	3.2
195.13828	4.2
199.14819	3.4
201.16356	3.2
203.14326	8.1
203.17924	45.8
205.08524	4.9
205.19496	16.5
207.11806	3.2
213.12761	5.9
217.08656	6.6
217.72462	3.0
221.15361	12.7
221.18982	39.0
221.56049	2.8
222.19737	3.3
225.12813	3.3
227.17749	5.1
233.18909	5.0
239.16422	12.8
239.20068	9.2
243.13799	5.0
245.19084	5.2
246.12698	3.0
247.09720	3.3
253.58121	3.2
261.14774	3.4
269.07907	4.7
299.05530	7.8
305.20581	3.0
315.08597	10.1
323.13156	3.9
329.20822	3.7
330.10922	12.2
333.26688	2.9
343.11539	3.1
347.22202	7.6
351.12164	6.4
358.10220	3.4
365.23361	4.8
383.14828	10.0
383.24109	4.5
401.08200	4.3
401.16187	8.2
401.21176	4.4
409.05612	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	401.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
53.45107	1.0
53.76129	1.0
55.01862	4.7
55.05505	1.0
57.03419	6.7
61.02917	8.0
67.05482	3.8
69.03418	31.3
69.23828	0.9
69.59693	4.1
69.60117	3.6
71.04965	3.5
72.08118	1.2
73.02907	6.3
79.05474	3.5
81.03413	9.5
81.07048	2.8
83.04961	8.5
83.52544	0.9
85.02889	65.4
86.03194	1.4
86.09696	1.4
87.04454	6.9
91.03936	1.7
91.05453	4.2
91.69386	0.9
93.07018	6.4
95.04959	6.6
95.08585	4.1
97.02873	16.1
97.06493	2.8
99.04439	6.2
101.02345	1.3
105.03371	35.0
105.07024	4.8
106.03693	2.1
107.04935	2.7
107.08576	12.2
109.02856	7.1
109.06488	7.0
109.10131	8.9
111.04431	1.1
111.08076	5.5
115.91838	1.2
117.07007	2.1
119.08580	5.0
121.02866	2.5
121.06487	4.4
121.10112	2.7
123.04407	1.4
123.08080	5.4
123.11707	1.1
125.05968	2.3
125.09605	3.7
127.03887	12.2
131.08583	2.2
133.06496	1.9
133.10080	5.6
135.04399	1.1
135.08032	17.9
135.11667	1.6
137.05981	3.3
137.09578	12.4
139.03889	1.9
139.07501	7.1
142.07704	1.3
143.08559	2.0
145.04947	5.5
145.06465	1.1
145.10106	1.8
147.04414	1.6
149.09586	7.1
151.11186	2.5
153.09091	10.0
157.10110	1.3
159.08018	2.0
161.09596	13.5
163.07521	9.3
163.11092	1.8
165.09120	2.0
167.07034	4.4
167.10664	1.6
173.09563	1.1
175.11201	3.9
177.09143	3.9
179.10658	17.6
181.04903	1.0
181.08551	10.9
183.10152	1.0
188.06599	1.0
191.10675	1.8
195.10133	32.5
197.11736	10.0
203.10623	4.9
217.08603	1.1
221.11685	65.6
222.11971	2.8
239.12732	82.0
240.13042	3.9
247.09622	1.1
249.07484	1.6
269.07932	1.0
281.49542	1.1
285.92160	1.0
315.08600	2.3
323.12564	1.1
330.10864	1.2
337.51465	1.3
357.15408	2.2
383.17371	8.7
401.17984	100.0
402.18152	5.2
417.67197	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.159
Annotation	Gomisin R
Peak:m/z	Relative Intensity
53.03940	1.6
69.03403	2.1
69.29010	1.0
69.64697	4.2
69.65124	3.3
71.04971	1.3
78.02404	0.9
78.47311	0.9
79.05486	12.6
81.03428	1.3
81.07031	3.1
83.04971	1.2
85.02894	2.8
87.69513	1.0
91.05464	5.0
93.07027	1.6
95.04960	3.1
96.50995	0.8
97.02873	1.0
98.20759	1.7
101.00626	1.1
101.99910	0.8
103.05490	1.1
105.03378	5.6
105.07029	2.7
107.04945	24.0
107.08556	1.6
109.06485	0.9
109.10127	1.2
110.63426	1.0
115.05443	3.5
117.06996	2.5
121.06451	1.3
121.10067	1.3
123.04414	5.4
123.11652	1.1
124.05190	5.5
125.05973	1.7
128.06175	3.1
129.07024	5.4
131.04893	1.2
131.08546	6.7
133.06508	1.3
137.05959	1.8
139.03909	1.7
141.06947	4.0
144.05711	4.5
145.05014	0.9
145.06421	4.9
147.07980	1.2
149.06020	1.1
152.04669	2.6
153.05385	2.0
156.05667	11.3
157.06412	2.6
158.07234	1.4
159.08022	11.9
161.05934	1.9
163.03857	2.8
165.06943	1.2
167.07021	83.4
168.07439	1.1
169.06363	1.5
170.07208	1.4
173.05943	5.5
174.06554	1.3
175.07475	1.9
177.05420	1.9
179.06929	1.8
181.04938	1.5
181.06525	1.4
181.08461	1.9
182.07341	1.0
184.05054	2.0
185.05948	1.4
186.06726	4.7
187.07509	9.8
189.05507	1.6
190.06140	1.2
190.07709	1.6
191.07007	2.2
191.08568	1.3
193.06473	1.2
193.08549	1.3
195.06496	3.3
198.06746	1.0
201.09140	1.2
202.06174	3.6
202.07838	2.2
203.06897	1.2
203.08578	2.1
204.07727	1.7
205.06517	2.6
205.08530	14.1
206.07199	1.3
207.06432	4.6
207.08238	1.8
208.05148	21.7
208.08582	2.0
209.05771	1.3
209.08009	1.4
210.06735	2.1
211.07536	1.8
212.26126	1.2
213.05438	1.5
214.06197	1.2
215.06783	1.9
215.08624	2.3
217.08571	34.0
218.07149	3.3
219.08026	11.2
219.10127	5.7
220.08806	4.0
221.05971	6.3
221.09630	1.2
221.15363	2.4
223.11214	1.4
225.05489	1.1
226.06107	2.2
227.07014	1.5
229.08485	4.4
230.07130	1.7
231.07988	6.3
231.10150	2.9
232.08826	1.3
232.33994	1.0
233.05989	1.5
233.09566	3.9
234.06610	2.1
235.07494	3.5
236.04610	9.1
236.08269	3.1
237.05084	1.5
237.08957	2.6
238.06172	1.5
239.06984	3.5
240.04079	2.6
241.04860	1.3
241.08568	2.1
245.09625	2.3
246.06644	2.3
247.07440	11.9
247.09648	20.2
248.08252	12.2
249.05434	2.0
249.09042	3.6
250.06090	2.1
251.10625	3.1
253.08542	1.4
254.05702	9.2
255.06430	3.1
256.07321	1.2
257.04385	1.6
258.06668	1.3
259.07449	2.7
260.08307	1.5
261.09100	6.7
262.06293	1.1
262.09811	4.2
263.06979	2.8
263.10596	7.2
264.07788	6.5
264.10217	0.9
265.08539	4.3
266.05621	2.2
266.08643	1.1
267.06372	5.1
268.03571	3.4
269.08051	25.8
270.08362	1.0
271.06036	1.8
271.09592	4.6
272.06750	4.6
275.06946	5.6
276.07736	7.2
277.08533	5.2
278.09161	1.2
279.10104	7.3
280.10687	2.2
281.08008	2.7
281.11514	1.2
282.05264	3.1
282.08813	15.0
284.06827	1.7
285.07700	1.8
287.06180	1.1
287.09088	3.1
289.08429	2.1
290.09262	5.2
291.10092	11.3
292.07181	4.5
292.10693	1.5
293.08008	8.6
294.08514	1.3
295.09274	1.2
296.10455	2.7
297.07648	1.4
297.10910	1.1
299.09073	4.9
300.06284	1.8
301.07123	3.0
304.07141	1.8
305.07990	3.1
305.11438	1.4
307.09546	10.3
308.07095	1.6
308.10287	6.8
309.07431	2.3
309.11075	3.0
310.08353	6.9
311.12772	2.4
313.10687	1.2
315.08582	83.9
316.09152	4.8
318.08865	1.9
319.09576	7.8
320.10269	2.0
321.07544	2.5
321.11035	1.5
322.08466	1.9
323.09253	1.9
323.12701	12.1
324.09708	1.3
325.10696	2.6
327.08572	1.2
328.09344	4.0
330.10928	100.0
331.11569	15.3
336.09753	3.8
337.10706	7.2
338.07767	1.4
339.08408	1.6
339.12222	10.5
340.12848	1.6
343.11682	15.9
344.11987	1.5
350.11407	1.7
351.12234	28.4
352.12881	6.1
353.10117	5.5
356.12576	2.6
368.12549	8.6
369.13266	5.0
371.14844	7.0
371.88873	1.1
373.16263	1.5
383.14841	69.6
384.15149	3.4
401.11346	1.9
401.16022	26.9
401.21255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74897	0.6
53.03941	1.4
55.01862	5.8
55.05498	1.5
55.23151	0.5
57.03430	17.6
57.07067	1.1
59.04984	2.6
61.02914	13.4
67.05493	1.7
69.03419	36.3
69.07053	1.3
70.03739	0.6
70.27286	2.0
71.01326	3.0
71.04978	2.8
73.02907	67.1
79.05483	2.7
81.03409	5.5
81.07054	2.3
83.04974	1.3
83.08612	0.8
84.04483	1.2
84.15157	0.7
85.02892	100.0
85.06564	0.9
86.03231	1.0
86.09692	0.7
87.00786	0.8
87.04462	9.4
91.03924	4.9
91.05473	1.7
93.07037	2.3
95.04979	2.0
95.08611	2.1
97.02878	49.9
97.06476	0.8
98.03210	0.8
99.04450	5.8
100.07587	0.6
100.11236	1.4
101.02388	1.1
103.03921	2.5
105.03368	1.6
105.06358	0.6
105.07023	2.0
107.04950	1.6
107.08575	2.6
109.02871	9.2
109.06518	2.3
109.10153	2.2
111.04401	1.7
111.08112	0.6
115.03910	31.3
117.07008	1.6
119.08554	1.9
121.02823	3.2
121.06480	0.9
122.03175	1.2
123.04433	2.0
123.11700	0.7
125.72860	0.7
127.03898	30.9
128.04280	0.6
129.84631	0.6
131.08562	1.2
132.06566	1.0
133.04942	35.8
133.10139	1.9
135.04367	1.1
135.08055	1.1
135.11687	1.2
137.05927	0.9
137.09618	1.9
139.03865	1.3
143.08585	0.7
145.04935	50.0
145.10094	0.9
147.04407	0.7
147.11739	0.7
149.06020	1.3
149.09645	0.9
150.07579	4.0
151.03918	1.1
153.09193	1.1
161.09641	1.2
163.03975	3.3
163.05995	25.3
163.07384	1.1
167.07054	2.7
173.09602	1.3
175.07553	0.7
175.11284	0.7
177.09128	0.8
177.12622	0.7
179.10693	1.6
181.05002	1.3
182.15424	1.1
183.15787	1.2
185.11746	0.8
193.04994	1.2
193.08516	0.6
195.06554	0.8
195.10156	2.1
197.11766	1.4
199.05936	1.2
203.10512	0.9
210.14758	1.0
211.15160	1.5
217.06857	0.8
220.13553	0.7
221.11682	4.6
221.13657	0.8
223.05980	4.8
239.12717	7.3
241.07059	5.8
247.11818	1.1
251.14874	6.4
259.08102	9.0
260.08347	0.7
277.09174	1.9
295.10165	4.3
315.08633	2.2
330.10965	1.9
355.24121	0.8
383.15112	2.1
383.23550	1.2
400.21573	0.9
400.30493	1.0
401.17703	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	400.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35903	1.3
53.03916	1.2
55.01863	2.0
57.03430	27.3
57.07064	4.4
59.04995	1.3
61.02677	1.3
61.02917	13.9
67.05470	1.4
69.03419	37.4
69.07055	1.5
70.06586	1.4
71.01345	3.3
71.04982	2.3
71.17900	2.9
73.02909	56.7
79.05476	2.8
80.69915	1.2
81.03398	6.7
81.07053	3.2
83.04970	1.8
85.02894	100.0
85.06548	1.4
86.03223	1.5
87.04435	6.6
88.06045	1.1
88.53948	1.1
91.03939	4.5
91.05464	2.9
93.07051	2.4
93.70640	1.2
94.07359	1.6
95.04932	1.4
95.08578	2.0
97.02878	50.0
97.10894	1.2
99.04443	3.9
99.08083	1.8
105.03363	1.8
105.07012	3.4
106.03696	1.2
107.04935	4.4
109.02868	9.2
109.10159	2.9
112.07591	1.6
115.03913	41.5
121.10101	2.4
124.07537	1.3
127.03899	31.2
131.08565	1.7
132.06529	1.9
133.04941	19.5
133.10124	1.6
134.10422	1.5
135.04419	1.6
137.05884	1.2
144.05637	2.2
145.04938	56.0
150.07587	5.8
156.05690	2.0
159.08031	2.0
163.03929	6.1
163.05991	31.3
164.10689	2.1
167.07018	14.6
172.37132	1.2
174.91673	1.2
181.04956	2.0
184.05197	1.4
187.07570	2.1
192.10210	2.7
205.08597	2.5
208.05098	3.4
217.08589	5.4
219.08069	2.7
220.09572	1.3
223.05943	3.3
231.08017	1.6
236.03735	2.5
238.10674	10.4
241.07100	4.7
247.07420	2.8
247.09567	2.9
247.11758	4.3
248.08293	1.5
251.14832	6.8
254.05910	1.8
259.07953	6.3
263.10718	1.6
269.08011	3.0
276.07642	1.6
291.10089	2.8
295.10184	4.9
307.09506	2.3
311.05368	1.7
315.08600	11.3
319.09512	2.0
323.12799	1.6
330.10886	13.8
339.12283	3.2
343.11685	2.1
348.62515	1.5
351.12134	4.7
355.15677	1.3
364.28265	2.9
369.13263	1.5
382.29391	4.2
383.10919	1.8
383.14905	11.9
400.30530	6.2
401.11731	2.4
401.16400	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15975	0.1
55.01857	0.9
56.67284	0.2
56.96540	0.3
57.03418	1.5
59.04972	0.2
61.02911	0.5
66.12558	0.2
69.03415	2.8
69.96947	0.8
71.01323	0.4
71.04970	0.2
73.02903	1.1
79.05453	0.2
80.53333	0.2
81.03384	0.5
83.04941	0.4
85.02893	2.3
87.04433	0.4
89.05998	0.2
90.05499	0.2
94.04029	0.4
95.04888	0.2
97.02880	2.7
99.04443	0.4
103.03883	0.2
105.06996	0.2
109.02837	0.2
112.65980	0.2
115.03899	1.2
119.03545	0.9
119.04863	0.3
123.04376	0.2
127.03902	0.5
133.04941	1.3
133.06470	0.2
135.04361	0.2
136.06160	100.0
137.04535	0.6
137.06604	1.4
143.03450	0.2
145.04962	0.3
161.05862	0.4
162.06352	0.3
163.03870	0.6
165.24130	0.2
181.04967	0.2
187.06001	0.3
189.07527	0.3
193.08600	0.2
194.08957	0.3
207.75684	0.2
268.10364	10.0
269.10519	0.3
400.14624	6.2
401.14658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27631	0.9
55.01859	5.2
57.03431	19.6
59.04988	1.0
60.83377	0.9
61.02916	15.3
67.05505	0.9
69.03419	29.9
69.07022	1.0
70.68037	2.0
71.01340	3.0
71.04995	1.4
72.85636	0.9
73.02907	63.3
74.09737	0.9
79.05499	2.2
81.03417	5.5
81.07048	1.5
83.04955	1.2
85.02893	100.0
87.04462	7.1
88.38817	0.9
91.03934	5.7
91.05449	1.3
93.07039	2.5
95.04963	1.1
95.08592	1.6
97.02879	46.5
98.03193	0.9
99.04443	4.9
103.03927	2.3
105.03375	1.2
105.06987	1.3
106.26863	0.8
107.04958	1.1
107.08562	1.3
109.02858	7.0
109.06520	1.6
109.10124	2.2
114.05531	1.1
115.03911	29.5
117.06987	1.0
119.08562	1.7
121.02856	2.7
122.03162	1.4
123.04382	1.2
127.03899	29.0
131.08586	1.3
133.04947	32.0
135.11627	1.2
137.09608	1.2
145.04941	55.9
146.05238	1.1
149.05971	1.9
149.09596	1.0
150.07605	3.0
150.45270	0.9
163.03909	1.7
163.05991	30.4
163.07375	2.0
167.07074	2.7
179.10629	2.5
181.05006	1.0
181.07057	1.4
183.15739	1.6
193.04871	1.2
195.10210	2.2
197.11578	1.1
217.06963	1.4
221.11719	3.4
223.05939	5.5
238.05434	1.1
239.12772	5.3
241.07018	5.9
251.14917	6.1
259.08102	9.2
277.09299	1.7
295.10272	4.7
315.08575	1.4
383.14877	1.5
401.17035	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	399.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01854	7.1
55.05508	20.4
55.37109	2.4
57.03413	8.9
57.07057	2.9
59.04993	3.3
63.80030	2.7
67.05499	34.5
69.03419	12.0
69.07050	20.3
71.05000	6.8
71.08623	8.3
71.62418	3.2
71.62855	3.0
73.02906	3.1
79.05483	31.4
81.03409	7.5
81.07045	100.0
83.04964	9.9
83.08612	9.0
84.08107	3.4
85.02895	8.5
85.06525	9.0
91.05454	25.9
93.07027	52.6
95.04956	12.6
95.08595	46.6
97.02866	3.9
97.06503	13.7
97.10155	12.5
98.97581	3.3
101.06008	4.0
105.07016	50.2
107.04928	5.0
107.08581	45.1
109.06528	12.5
109.10146	40.9
109.10838	4.7
111.04479	3.5
111.08076	10.8
112.03302	2.7
112.63786	2.6
116.04694	3.8
117.06983	10.9
118.19324	2.9
119.08564	37.9
121.02831	2.7
121.06477	6.3
121.10126	36.8
123.04395	2.8
123.08044	10.0
123.11703	9.6
125.09628	12.1
127.03886	3.6
129.05450	10.6
129.07010	6.5
131.08551	23.2
133.10126	28.8
135.08023	6.3
135.11702	13.2
137.09610	12.1
137.13237	3.7
141.07008	3.1
142.07780	3.6
143.08560	10.3
145.10115	36.2
147.04361	3.7
147.06465	4.6
147.08054	4.2
147.11690	17.6
149.09645	5.5
149.13280	11.2
151.03905	8.5
151.11163	8.2
153.01814	5.1
153.05467	4.3
155.08556	6.2
157.08762	2.7
157.10112	13.6
159.11679	27.3
161.09566	3.2
161.13223	14.7
163.11137	17.1
163.14796	5.3
165.12779	6.7
169.10118	6.3
171.11697	9.2
173.11940	3.1
173.13142	16.2
175.11180	5.8
175.14857	8.7
177.09154	2.9
177.12778	3.8
181.10048	3.5
183.11711	8.1
185.13145	3.1
187.14871	4.6
189.11174	5.2
191.14197	3.5
197.13266	6.1
199.14734	3.9
199.90381	2.7
201.16365	32.3
203.14363	4.1
213.16376	3.7
219.17392	17.0
227.12602	3.8
235.14772	3.4
237.18495	5.2
245.04428	4.8
273.04031	6.3
302.04184	10.7
335.23679	6.5
353.24582	3.7
363.23135	5.9
381.13391	4.2
381.23715	4.4
381.28018	7.3
399.10474	40.8
399.14920	5.7
399.24521	17.4
399.29028	10.1
399.33408	5.8
400.10809	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	399.2887
Annotation	17beta-Hydroxyestr-4-en-3-one cyclopentanepropionate
Peak:m/z	Relative Intensity
55.01846	3.0
55.05497	12.1
57.03449	1.1
57.07057	4.4
59.05006	1.2
65.03950	1.5
67.05492	14.2
69.07063	9.2
70.21791	3.3
70.22205	1.9
71.04960	2.6
71.08600	2.0
78.00243	0.9
79.05484	12.1
81.03365	1.0
81.07043	34.9
83.04951	4.8
83.08607	4.8
85.06529	6.4
91.05453	16.0
93.07030	38.2
93.94067	0.9
95.04952	3.4
95.08595	39.8
97.06512	15.0
97.10144	2.2
99.04440	5.9
99.08062	1.3
101.06003	5.1
105.07013	40.9
106.36928	0.9
107.04939	2.0
107.07852	2.0
107.08577	39.0
108.08923	1.4
109.06499	5.9
109.10140	17.0
111.04441	1.0
111.08058	10.6
117.07011	6.5
119.08562	47.7
120.08965	1.2
121.06489	11.3
121.10121	30.8
123.08032	11.0
123.11684	6.3
125.09616	3.4
127.07483	1.6
128.06168	2.5
129.05476	1.3
129.07014	6.1
131.08546	22.7
133.06448	1.5
133.10114	33.5
134.10533	1.0
134.77037	1.0
135.08025	9.4
135.11674	27.4
137.09621	3.6
141.06969	1.7
142.07774	6.1
143.08545	17.6
144.09258	3.0
145.06509	1.2
145.10106	34.5
146.07239	1.6
146.10484	1.4
147.08022	29.5
147.10487	1.5
147.11656	31.1
149.09601	13.1
149.13242	13.1
151.11176	2.7
155.08521	5.1
156.09322	4.0
157.10101	27.9
158.10768	1.4
159.07996	3.8
159.11665	30.1
160.08835	1.1
161.09602	32.1
161.13235	16.6
162.10298	1.5
163.11151	19.0
163.14827	4.6
165.12753	4.5
169.10094	6.3
171.07881	1.2
171.11662	19.1
173.09583	5.5
173.13219	15.1
174.10291	1.1
174.13632	1.0
175.11163	29.2
175.14786	9.8
176.11896	2.5
177.12738	19.7
179.14343	1.7
181.10158	2.2
181.12198	6.1
183.11670	5.7
185.09612	2.8
185.13237	18.6
187.11148	6.1
187.14769	13.4
189.12712	27.0
189.16342	5.5
190.13492	2.6
191.14275	12.0
193.12228	3.4
193.15829	1.5
195.11734	2.9
195.13794	11.4
197.13251	6.5
199.11124	1.9
199.14781	18.4
199.71666	1.1
201.12766	8.8
201.14346	1.3
201.16336	5.8
203.14296	17.0
205.15834	5.1
207.13838	5.2
209.13211	2.7
209.15334	2.7
211.14838	7.5
213.12733	2.1
213.16382	4.1
215.14278	6.1
217.15822	16.4
219.17398	2.9
221.15408	2.8
223.14839	2.8
225.16377	4.4
226.17084	1.4
227.14354	2.6
227.17975	2.3
229.15802	1.2
231.17419	1.6
235.16925	2.3
239.14268	1.2
239.17935	4.1
241.15852	2.2
241.19359	1.2
243.17545	2.4
245.15318	2.5
249.16360	1.0
251.17912	1.0
253.19574	3.0
255.17369	1.8
257.19034	1.4
259.17105	1.0
265.19446	1.7
267.21054	2.0
269.19077	1.2
271.20557	2.7
280.21725	1.5
281.22543	1.4
283.20609	1.3
285.18466	1.1
285.22058	1.4
285.53125	1.3
291.21158	1.1
309.21661	1.2
313.21667	1.1
321.22113	1.1
325.21719	1.5
327.23209	1.8
345.12192	1.1
345.25812	3.7
353.24625	2.4
353.28494	3.2
363.23077	1.2
363.26752	26.9
364.27338	1.6
381.24005	1.7
381.27823	95.1
382.28284	8.3
399.24570	9.8
399.28952	100.0
400.29239	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	399.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38094	1.3
55.01855	4.0
55.05489	3.8
56.96551	1.7
57.03416	9.8
57.07061	1.6
59.04970	3.6
61.02900	4.2
67.05476	2.3
69.03413	18.2
69.07058	100.0
70.07397	1.3
70.65086	1.2
71.04969	5.6
71.08619	3.0
72.93736	1.3
73.02905	16.3
73.06527	2.2
76.11043	1.3
77.58355	1.2
79.05468	2.8
81.03396	5.3
81.07021	5.5
83.04953	4.6
84.04498	1.3
84.08135	1.3
85.02888	45.4
85.06524	2.5
85.10143	2.1
87.04438	4.0
87.08094	18.1
89.05998	4.8
91.05454	2.3
93.07037	2.2
95.04939	1.4
97.02874	28.9
97.06485	2.4
98.20712	3.3
98.97569	3.1
99.04436	4.2
99.08070	1.6
101.06006	15.0
103.03924	2.6
105.09128	15.7
107.04932	2.5
109.02824	6.3
109.06409	1.5
110.07156	2.6
111.04406	2.7
111.08079	2.0
115.03921	12.4
116.98553	1.8
117.05488	2.0
119.01942	1.3
119.07022	3.9
121.01676	1.8
121.02845	2.4
121.06479	1.5
122.06032	1.2
123.08067	2.1
125.02323	2.6
127.03884	16.2
129.05434	2.8
131.04880	2.6
133.04951	7.5
133.06458	1.4
134.99585	1.8
135.06613	1.5
136.06152	5.5
137.05933	2.1
137.08095	3.7
137.09563	1.9
145.04909	19.2
147.04378	2.4
147.06506	3.9
149.05933	1.5
161.02931	1.6
161.05977	2.7
163.02696	2.5
163.03867	2.0
163.06035	10.0
167.07022	1.5
172.15529	1.3
173.05991	1.4
175.04138	2.2
183.10146	3.1
183.13869	1.5
188.09991	2.0
188.98402	1.7
195.10120	2.6
203.12730	2.6
205.03725	1.4
221.04778	2.2
223.06268	2.9
229.22475	1.6
231.08479	1.4
233.48875	1.3
234.99152	1.3
235.06415	4.8
237.02719	3.4
237.12218	3.1
250.09250	3.0
255.01591	3.7
259.08145	2.4
263.11365	1.5
265.05872	1.6
297.06473	2.1
330.38809	1.3
339.08981	3.0
371.06894	1.3
399.05368	2.0
399.09735	1.7
399.17419	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	399.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28330	3.2
56.05018	3.2
61.02906	8.4
69.03425	19.4
70.06546	4.6
70.29066	11.8
70.92899	3.5
73.02913	4.0
80.56946	3.5
81.03401	7.6
81.07041	4.3
85.02889	40.8
91.05444	3.2
97.02886	24.8
99.04376	3.0
101.00857	10.1
102.05512	4.9
103.00607	10.5
109.02879	4.0
118.08620	14.6
119.01900	28.6
120.01981	6.5
121.01645	38.9
121.02884	26.9
127.03895	12.0
131.01854	6.8
133.03448	4.1
135.04414	5.8
136.06151	13.0
137.05981	3.6
139.02673	5.4
143.01868	9.8
144.03194	4.3
145.01630	5.7
145.03439	14.7
145.04922	13.6
146.03554	3.3
147.03191	15.3
155.01819	5.5
157.01675	4.3
157.03423	28.2
158.03563	5.2
159.03169	29.4
161.02937	12.2
163.02660	13.7
163.03883	14.7
165.04269	4.7
170.05875	3.5
173.03011	8.8
175.04477	14.2
177.04237	14.3
185.02887	3.8
194.57164	4.0
195.04974	4.0
195.06953	8.1
195.57260	6.3
205.05554	8.2
207.05260	9.9
211.04666	4.5
213.05997	5.0
221.04796	6.6
223.04503	7.2
223.06506	48.6
224.06789	7.4
225.06328	41.1
229.06183	7.4
235.06364	11.7
241.07677	14.4
243.07463	19.9
244.07161	4.9
245.04979	7.2
250.09312	11.7
252.09375	4.4
265.07794	26.8
267.07401	7.5
277.07819	4.0
279.05621	5.6
279.09299	8.7
293.09027	35.4
295.06918	3.8
297.06458	4.4
299.09760	3.9
309.08325	4.7
335.12015	3.5
337.09161	4.1
339.05585	12.3
339.09299	20.7
357.06198	7.6
357.10156	9.2
363.06104	10.3
367.10965	5.3
371.89352	4.5
381.06973	18.7
381.12286	14.3
399.05743	6.3
399.10684	100.0
400.11041	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	399.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22342	1.1
52.28366	1.1
55.01854	2.2
56.05031	1.2
56.96555	6.3
57.03420	3.7
57.73124	1.0
61.02922	3.4
69.03428	10.7
69.37947	10.7
70.06570	2.0
71.01338	1.2
71.08630	2.2
71.92995	1.1
73.02901	3.3
77.00886	1.6
81.03404	3.9
84.08129	2.8
84.95998	2.4
85.02895	39.5
87.04453	1.8
88.06974	1.3
91.03922	1.3
95.01891	1.2
97.02879	18.4
98.97581	13.0
99.04441	2.8
101.00849	6.2
101.05984	1.8
102.05587	1.4
102.96927	1.0
103.03976	1.2
103.05462	1.5
105.03369	1.5
105.06990	1.9
106.51427	1.1
107.04954	2.8
109.02862	5.1
110.07117	1.7
110.97575	3.1
111.04425	1.3
112.07622	1.5
113.00835	2.2
115.02443	1.2
115.03924	1.3
116.98624	10.0
118.17318	1.1
119.01907	29.7
120.01965	1.2
121.01638	2.2
121.02827	4.7
121.06471	2.9
123.04459	1.2
127.03888	7.6
128.98558	3.4
130.08646	3.7
131.01886	13.9
131.04878	1.4
132.95808	1.1
133.03470	1.9
133.06531	1.8
134.99663	4.7
135.04349	1.7
136.06172	9.6
137.02148	2.4
137.02965	4.4
137.05911	2.2
139.02426	1.4
142.61624	1.2
143.01889	4.9
145.03436	11.6
145.04924	3.7
146.99651	4.1
147.01367	2.2
147.04362	1.8
149.01172	1.8
149.02922	3.4
155.01866	9.1
157.03476	6.7
158.99623	2.8
159.03210	1.2
161.01208	4.9
161.02957	15.3
161.05867	1.9
163.02652	1.7
163.03947	4.9
165.03990	1.6
167.01894	2.7
167.07031	2.9
169.03439	1.2
173.02924	10.3
174.03435	1.5
175.02736	1.4
175.04436	2.9
177.00597	4.0
177.05420	1.5
179.02069	2.1
181.03394	4.1
181.08638	1.4
183.01373	2.0
183.05016	7.0
183.38206	1.3
185.02913	7.5
187.02936	1.7
187.04466	6.8
193.01874	1.2
193.03511	3.9
195.01344	7.1
197.02917	19.3
198.03296	1.2
199.04514	6.1
201.06226	1.5
203.03979	4.5
205.03516	3.4
205.05531	1.7
207.05070	1.8
209.02856	5.9
211.04538	7.6
213.00639	5.4
213.02437	31.5
215.03981	5.7
217.03403	1.1
219.01659	8.1
219.05020	3.0
221.02933	6.9
221.05054	5.0
223.00862	6.4
223.04488	6.5
223.06511	1.6
225.06221	1.4
226.05861	1.2
227.03952	3.6
229.05609	2.2
231.01627	6.5
231.03577	10.7
233.02887	2.8
235.04462	5.1
235.06500	1.5
236.01567	1.3
237.02463	39.8
237.06143	3.6
238.02855	2.1
238.05400	1.2
239.04057	5.1
241.01898	2.1
241.05667	2.1
243.01549	1.4
244.06871	1.9
245.02914	1.7
245.04994	6.5
247.00818	1.2
247.04420	6.0
249.02319	9.8
249.06059	2.7
250.02400	1.1
250.09300	7.5
251.03957	7.6
253.05573	4.6
255.03508	59.7
256.03726	4.4
260.04236	2.0
261.02454	4.8
263.03830	11.8
263.06024	1.5
265.01971	1.8
265.05536	3.9
267.03525	25.2
269.05026	3.8
270.08264	1.2
273.04510	5.3
277.05493	1.2
278.05002	3.2
278.58850	2.2
279.03448	22.1
281.05042	18.4
281.13333	2.0
283.02930	3.1
285.04465	7.8
290.05078	1.5
291.03558	11.9
293.04974	1.5
297.04468	20.7
297.07458	1.8
303.03528	1.6
309.04568	3.0
310.08560	1.4
321.04559	10.4
330.66266	1.3
339.05591	100.0
340.05759	7.1
357.06631	96.5
358.06808	7.9
362.07043	2.8
375.07687	9.5
376.07843	1.5
380.08167	7.6
387.20712	1.3
393.08743	32.6
394.09088	4.1
399.07425	40.5
399.11853	3.7
399.18326	1.3
400.07477	3.4
416.10120	3.4
417.08511	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	398.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01860	2.1
57.03432	34.5
59.04962	1.8
61.02911	15.0
63.45868	1.5
69.03422	34.0
69.07056	52.1
70.30003	5.5
71.01339	4.0
71.04958	2.6
73.02498	3.6
73.02907	73.2
81.03407	5.5
81.07056	2.6
85.02893	100.0
86.09660	1.6
86.64746	1.6
87.04441	4.2
87.08105	3.3
91.03930	4.4
93.07031	2.1
95.08582	3.0
97.02878	60.8
98.03206	2.0
99.04430	4.3
103.03909	4.0
107.84301	1.5
109.02881	10.8
111.08103	3.5
115.03912	52.0
123.08047	2.2
127.03906	35.7
132.06451	2.3
133.04947	20.4
145.04941	59.4
150.07623	3.3
163.05992	49.7
164.77591	1.7
183.10138	2.9
189.49997	1.8
193.05042	1.6
195.10181	2.2
201.11192	2.7
201.94313	1.4
213.11176	3.4
223.06009	6.5
231.12308	4.0
241.07019	9.9
259.08112	15.9
295.10220	22.5
302.10880	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00397	1.3
55.01861	4.1
57.03433	18.4
59.04985	5.5
61.02922	7.4
69.03419	61.2
69.07060	34.0
70.05686	9.3
71.04983	2.6
73.02907	34.4
75.04478	1.7
81.03413	4.5
81.07029	1.7
83.04983	2.1
83.08600	2.3
85.02893	93.4
85.06557	3.2
87.04455	43.8
91.03905	2.0
91.05486	2.4
93.07031	4.3
95.04976	2.4
95.08614	2.1
97.02876	69.5
99.04451	4.8
103.03921	2.4
105.03393	4.1
105.07001	2.3
107.08521	2.7
109.02865	8.4
109.06522	2.7
111.04460	1.6
111.08064	12.5
111.30330	1.7
115.03912	83.9
121.02869	3.5
127.03905	20.0
133.04947	100.0
134.05278	1.8
141.09109	2.2
145.04939	44.9
147.07994	3.0
150.07599	11.2
153.09055	3.3
163.06000	31.3
165.09058	3.7
167.06987	9.6
183.10132	3.1
183.13727	1.7
187.06052	1.6
195.10185	3.9
201.11238	4.9
201.14737	1.5
217.07120	2.6
219.12283	1.7
223.06038	6.9
231.12260	3.1
237.11133	2.8
241.07088	6.9
259.08112	15.6
277.09140	4.6
295.10263	14.1
297.04025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1653
Annotation	R-L3
Peak:m/z	Relative Intensity
52.30823	1.5
53.03922	2.5
55.01861	21.5
55.05489	2.4
56.05037	2.0
56.95911	1.4
56.96537	2.7
57.03431	9.6
57.07075	9.9
59.04982	3.8
60.04503	4.0
61.02900	5.3
65.03888	1.6
67.05472	7.4
69.03413	20.5
69.07046	9.3
70.02948	8.6
70.06573	4.5
71.01318	2.4
71.04962	3.5
71.61760	2.2
72.04504	41.2
72.08084	1.6
72.93761	2.0
73.02901	25.7
74.02400	4.5
79.05469	3.1
81.03399	7.9
81.07001	2.2
83.04948	5.0
84.08098	2.0
85.02896	23.8
85.06516	9.0
86.09702	8.6
87.04440	5.5
87.08070	4.9
90.05540	41.4
91.05428	4.1
93.06979	2.3
95.04964	10.9
95.08575	2.1
96.08089	1.9
97.02876	29.5
98.02407	16.9
98.97599	2.5
99.04457	4.5
100.03960	7.4
100.07633	2.1
101.06009	2.4
103.07523	3.7
105.06987	9.5
109.02872	3.6
109.06409	1.6
110.07130	6.1
111.04375	2.9
112.07634	2.4
113.02354	3.6
113.05978	11.2
115.03911	24.2
115.05420	2.1
116.03436	30.8
116.07050	4.5
116.98593	2.2
117.06944	1.7
119.01900	3.7
119.04914	3.1
120.08050	4.5
121.06457	4.5
123.04331	2.2
123.08045	2.0
124.07576	26.5
125.02309	10.3
127.03909	9.7
130.08620	1.7
131.07050	3.4
132.95834	2.6
133.04932	28.6
133.06436	7.8
136.06184	4.1
136.07516	2.1
138.77670	2.2
139.03857	2.9
140.07004	3.3
142.08612	20.7
143.01974	1.7
144.06462	1.8
145.04921	3.6
147.04367	6.4
153.09123	2.1
160.09680	11.8
161.02960	3.7
161.04462	4.4
161.05948	13.4
163.03912	4.3
166.08601	6.8
167.06964	3.1
169.04861	1.9
172.11189	3.6
174.03093	3.1
174.11249	10.9
174.96860	2.1
175.05983	4.9
183.10115	4.7
184.09651	31.8
187.04547	1.7
187.05905	8.5
193.08522	8.7
195.01273	2.5
197.08029	2.0
200.10632	2.4
201.11272	2.8
202.10710	100.0
203.03902	1.8
203.05507	18.8
203.11102	2.8
204.04152	1.9
211.09610	2.5
213.00589	1.9
215.05495	34.4
218.11728	7.6
219.12341	3.1
220.11795	18.3
221.06609	19.7
222.06810	2.2
223.06598	1.6
233.06528	41.6
234.06674	4.5
235.06119	2.1
236.06288	5.2
236.09120	3.8
236.12906	8.7
236.14746	1.9
237.02696	2.7
245.04999	1.8
250.09190	41.6
251.09465	2.3
268.10178	8.3
273.07565	1.6
278.05457	2.6
321.04456	2.8
325.09396	1.9
327.32901	1.7
338.04236	1.8
339.05396	3.1
344.13385	3.9
354.09775	1.7
362.14413	37.1
363.14609	2.0
380.15448	86.9
381.15982	5.0
398.09000	3.4
398.18365	2.0
399.06201	3.2
399.12299	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	398.1484
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
55.01849	1.6
55.05503	0.6
57.03413	1.7
57.07052	0.5
61.02919	0.4
67.05480	1.2
67.21963	0.4
69.03406	1.3
69.07051	0.7
71.01321	0.5
71.62843	0.5
73.02898	0.7
75.78735	0.4
79.05473	0.6
81.03384	0.6
81.07033	1.4
85.02898	2.7
87.04437	0.5
91.05478	0.5
93.07025	0.5
94.07278	0.4
95.04930	0.5
95.08596	0.6
97.02870	0.8
97.06480	0.4
105.06985	1.6
107.08520	0.8
109.05077	0.8
109.06507	0.5
109.10117	0.6
115.03849	0.4
115.21152	0.4
119.08510	0.7
121.02835	1.1
121.10094	1.0
123.04401	0.5
125.09613	0.5
127.03857	0.6
131.04860	0.4
133.10132	0.5
134.04591	6.5
135.02950	0.7
140.02687	0.6
145.10115	0.5
147.04338	0.8
148.06102	0.5
152.05650	1.9
156.53784	0.4
158.07060	0.5
159.11632	0.6
161.09608	0.5
165.02310	4.9
167.02586	1.4
181.05399	0.6
182.04929	100.0
183.02890	0.5
183.05154	1.8
185.08154	0.5
189.01808	0.7
190.03032	0.4
191.03410	0.6
194.04941	2.6
200.09116	0.6
205.05449	2.3
216.04564	1.1
217.15872	0.6
218.16141	2.0
219.02638	0.5
219.06937	0.8
219.17615	0.5
221.08611	0.4
231.02858	2.3
231.06927	6.1
248.09605	11.6
249.03864	0.7
261.03717	0.7
266.10657	83.6
267.10950	3.0
279.04980	1.0
285.07526	1.4
304.18100	1.9
314.09146	0.8
336.20554	1.5
339.08362	0.5
351.08508	1.8
398.14835	45.8
398.23413	2.4
399.10611	1.0
399.15173	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	397.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	14.1
57.07071	18.8
59.65379	1.6
61.81911	1.4
67.05494	23.4
69.07059	32.0
69.30907	7.2
69.31329	11.1
71.08623	18.2
74.00616	1.6
79.05485	12.1
81.07046	50.2
83.08610	15.0
85.10165	9.5
91.05461	11.6
93.07035	24.5
95.08588	43.4
96.80166	1.5
97.10140	9.5
98.20777	3.7
105.07010	28.6
107.08579	19.1
109.10140	39.4
111.11699	5.1
112.29665	1.4
117.06963	2.7
119.08556	21.4
121.10130	13.8
123.11684	14.7
125.13248	2.4
131.08531	3.0
133.10127	17.7
135.11671	31.6
136.95561	1.6
137.13225	4.4
145.10089	4.4
147.11667	56.6
148.11981	2.1
149.13240	17.8
151.14777	4.2
159.11661	7.1
161.13225	43.9
163.14781	5.9
165.16248	3.0
168.97676	1.5
173.13258	4.4
175.14818	18.6
177.16312	2.0
187.14799	3.5
189.16362	7.2
201.16338	6.1
203.17947	7.5
215.17909	7.7
217.19545	2.6
229.19441	5.1
243.20998	7.4
247.24283	1.9
257.22595	6.2
261.25778	5.7
262.89246	1.9
275.27234	3.5
287.27325	5.4
287.61163	1.6
289.28934	2.1
301.29077	1.6
315.30563	3.3
397.38239	100.0
398.38565	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	397.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05709	0.5
53.03939	0.8
55.05499	5.7
57.03435	0.7
57.07051	1.5
57.88663	0.4
65.03931	0.8
67.05496	9.5
69.07059	8.5
71.04962	0.5
71.08614	0.8
71.62541	0.6
71.62920	0.7
73.02884	0.6
77.03941	0.5
79.05051	0.7
79.05479	10.6
79.74477	0.5
79.80941	0.5
81.03441	0.4
81.07043	27.2
82.07390	0.6
82.54501	0.5
83.04970	0.5
83.08606	4.1
84.08120	0.8
85.02945	0.6
91.05463	11.3
92.05769	0.8
92.95396	0.6
93.07032	30.5
94.07346	0.7
95.04966	1.7
95.08594	28.7
96.08917	0.8
97.02892	0.6
97.06510	0.8
97.10149	1.6
105.07017	22.6
106.07309	0.7
107.04948	0.7
107.08579	36.7
108.06123	0.5
108.08897	0.8
109.06488	1.0
109.10140	12.5
111.08041	0.9
115.05461	0.5
115.36070	0.4
117.07012	1.9
119.08567	28.7
121.10124	22.0
121.11006	1.1
123.08089	1.1
123.11677	3.3
125.09599	1.1
129.06995	1.2
131.08554	5.5
133.10112	19.5
135.11674	10.5
137.13249	2.0
139.07466	0.8
141.07019	0.6
141.35544	0.5
142.07820	1.0
143.08530	2.1
145.10104	8.7
147.10490	0.8
147.11665	19.8
149.13237	100.0
150.13556	2.3
151.11284	0.6
153.09085	2.8
155.08583	0.8
157.10106	3.9
158.73753	0.5
159.11659	9.3
161.13237	49.2
162.13579	1.6
163.07539	0.6
163.14803	36.5
164.15128	0.8
165.09148	0.9
165.12733	1.0
167.10674	1.1
169.10112	1.2
171.11705	3.8
172.12488	0.5
173.13243	4.8
175.11098	0.6
175.14798	14.4
175.16260	1.0
176.15129	0.6
177.09038	1.9
177.16325	5.5
181.10104	0.5
183.11696	1.0
185.13219	2.1
187.14812	3.6
189.16357	18.6
190.16779	1.1
191.17928	4.2
193.12135	0.8
195.11934	0.6
195.13718	0.6
197.13254	1.1
199.14816	2.0
201.16353	9.7
203.17928	19.1
204.18381	0.6
205.19481	3.4
207.13638	0.7
207.17401	1.2
211.14825	0.8
213.16371	2.2
215.17921	5.7
217.19556	0.8
219.13811	0.7
219.17722	0.5
221.15350	0.6
221.19049	0.6
227.17894	2.4
229.15852	1.3
229.19514	1.7
235.16876	3.5
239.17873	0.7
241.19495	1.5
243.21039	1.2
247.16891	10.1
249.18523	4.5
253.19485	0.6
255.21068	6.0
261.18454	4.3
269.22919	0.6
273.18533	1.1
279.20975	0.7
281.22467	1.5
287.20001	1.3
289.21545	1.0
301.21512	0.9
309.25833	0.7
315.22989	0.6
333.25757	1.1
351.30450	14.7
352.30740	0.8
361.24948	0.6
379.25809	3.5
379.30261	1.1
397.27039	5.9
397.30969	23.5
398.31348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2732
Annotation	CHEBI:68422
Peak:m/z	Relative Intensity
50.90711	0.8
52.43292	0.9
53.62990	1.0
55.05504	7.4
56.24515	0.8
57.03413	1.1
57.07047	1.6
67.05494	11.3
69.07056	8.4
69.80486	5.9
71.82732	1.0
79.05489	10.5
81.07049	28.8
83.04980	1.1
83.08611	2.2
85.06515	1.1
91.05470	14.5
93.07032	25.6
95.04952	2.6
95.08598	27.5
97.06508	1.9
97.10130	1.6
97.98396	0.8
102.17502	0.9
105.07019	48.1
106.07354	1.0
107.08575	25.0
109.06500	1.4
109.10143	15.3
111.08070	1.9
115.05400	1.7
117.07020	6.5
119.08568	32.3
120.08904	1.1
121.06499	2.1
121.10112	12.1
123.08038	1.7
123.10911	0.9
123.11651	5.0
125.06008	1.2
125.09664	1.1
128.06178	3.4
129.06990	5.9
130.07742	1.9
131.08546	20.2
133.10118	36.6
134.10442	1.1
135.08058	1.1
135.11682	19.5
137.13206	1.8
141.06976	3.1
142.07730	4.3
143.08539	19.4
144.09282	2.9
144.67607	0.9
145.10104	28.6
147.07997	2.2
147.11668	33.4
149.09578	2.4
149.13255	13.6
155.08516	7.6
156.09273	3.4
157.10109	24.4
158.10689	1.5
159.11684	32.1
160.12207	1.3
161.09595	3.0
161.11946	2.0
161.13231	27.9
163.11128	2.3
163.14796	6.5
165.09074	1.0
165.12715	1.8
167.08600	1.5
168.09305	1.7
169.10106	4.8
170.10858	2.2
171.11676	17.5
172.12125	1.7
173.09592	1.8
173.13237	19.1
174.13657	1.2
175.11121	2.8
175.14815	14.4
177.09134	1.7
177.12720	1.8
177.16415	1.8
181.10107	3.5
183.11711	8.2
185.09598	1.9
185.13255	13.1
187.11208	2.1
187.14799	11.1
189.09120	1.6
189.12788	2.5
189.16389	7.3
191.10609	2.1
191.14381	1.3
193.10124	1.5
195.11699	4.8
197.13237	6.1
199.14812	14.4
200.15178	1.2
201.09262	1.5
201.16333	7.3
203.10667	1.7
203.14291	2.7
203.17953	3.7
205.12219	2.8
207.11685	2.2
207.13609	1.1
209.11519	2.1
209.13243	5.2
210.13965	1.4
211.14827	5.2
213.12769	1.1
213.16394	5.2
215.10687	2.0
215.17900	3.4
217.12206	4.2
217.15810	3.5
219.13754	1.5
221.13290	1.6
223.14789	3.2
225.16382	5.3
227.14313	2.7
227.17886	8.3
229.12228	3.9
231.13741	5.0
237.16342	2.8
239.18007	2.2
243.13878	1.8
245.15379	12.0
249.16501	1.6
251.17896	2.4
253.19434	1.8
255.13745	2.0
257.15286	1.8
263.16223	1.7
265.19449	1.5
269.15207	2.3
271.16901	1.9
273.21255	1.0
277.19461	2.5
279.20987	2.1
287.16415	1.7
289.18079	2.3
291.20987	1.7
305.22552	2.7
323.19977	2.2
327.19034	1.1
333.25607	12.4
335.27344	3.6
337.21573	1.3
341.21176	1.1
351.26703	7.7
351.30496	1.8
353.28427	1.7
361.25250	4.7
379.26196	35.0
379.30841	1.9
380.26559	4.2
397.27246	100.0
398.27472	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	397.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37793	0.1
57.03415	0.3
61.02902	0.2
65.35048	0.1
65.43011	0.1
67.01843	0.2
67.05477	0.2
68.99758	0.2
69.03426	0.7
69.07049	0.3
70.06561	0.2
71.04965	0.3
71.61184	0.2
71.61555	0.2
72.08130	0.2
79.05481	0.4
81.03405	0.4
81.07014	0.3
83.04967	0.2
83.08591	0.4
84.08120	0.5
85.02882	1.0
85.06525	0.2
86.09708	0.1
87.04458	0.2
91.05473	0.4
93.07055	0.3
95.04939	0.4
95.08578	0.2
97.02870	0.6
97.06487	0.2
99.04440	0.2
105.06986	0.4
107.04946	0.3
107.08547	0.6
109.02826	0.4
109.06549	0.2
109.10120	0.2
110.06022	0.1
110.07153	0.2
111.04433	0.2
115.14387	0.1
117.06979	0.3
121.02839	2.6
121.06451	0.3
121.10092	0.2
123.08080	0.2
125.05960	0.7
125.09628	0.2
127.03886	0.4
127.04833	0.1
129.09090	0.4
131.04845	0.2
131.08574	0.3
132.95799	0.3
135.08028	1.5
137.09517	0.1
139.03888	0.2
145.04903	0.3
145.06488	0.3
147.04381	0.4
149.05943	0.2
151.03880	6.0
153.09027	0.2
154.09497	0.2
161.05988	2.2
161.07269	0.3
162.06683	0.2
163.03874	0.3
163.07472	0.5
167.07018	0.2
168.95863	0.2
172.07558	0.2
172.09584	0.3
174.96753	0.2
176.04648	0.4
186.96768	0.2
188.07066	0.4
189.05386	0.3
190.06206	4.7
191.06989	4.6
192.07530	0.3
193.03246	0.3
193.04924	3.7
198.96889	0.2
199.09592	0.2
199.13080	0.2
200.09834	0.2
216.97873	0.3
217.04930	3.9
217.10667	0.4
218.05371	0.3
218.10945	0.3
221.05011	0.8
235.05963	100.0
236.06331	2.8
236.09090	0.4
277.00040	1.1
306.41055	0.1
397.10852	1.5
397.14999	0.3
397.19693	0.4
398.08923	1.3
398.13910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.097
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53286	1.4
55.01862	2.5
56.96532	1.8
57.03417	4.0
59.04991	2.2
61.02907	4.4
69.03421	13.6
69.07063	1.7
70.06568	2.1
71.04978	2.2
71.60990	2.5
71.61391	3.1
73.02884	3.1
77.00891	3.5
80.09424	1.4
81.03403	6.7
81.07011	1.7
82.99367	1.6
82.99855	3.9
84.08104	1.5
85.02892	25.6
86.09675	4.3
91.05460	2.3
97.02877	12.6
98.97579	2.9
99.04425	2.1
100.07603	4.2
101.00858	30.2
102.00928	2.2
103.02458	1.7
105.00356	2.0
105.03373	2.2
107.04950	4.9
109.02858	4.9
111.04334	1.4
115.02430	4.3
115.04053	1.6
118.04169	2.4
119.01903	100.0
119.04887	3.1
120.01987	3.8
121.01650	2.4
121.02865	4.0
121.06480	3.1
125.00892	1.4
125.03421	1.4
127.03868	9.0
131.01907	16.7
131.04947	2.0
133.01633	2.5
133.03430	7.5
136.06180	1.8
136.07480	1.7
137.02936	14.9
139.02431	4.5
139.04187	2.0
142.01054	2.7
142.03488	3.3
142.04759	1.8
143.01881	28.7
145.03452	29.0
145.04919	5.9
147.03291	2.6
147.04405	5.2
149.02933	4.3
152.04520	1.9
152.05656	2.0
155.01849	13.5
157.03441	40.0
158.03636	3.2
160.02153	4.3
161.02934	70.4
162.03024	3.9
163.03947	3.4
167.07085	1.9
169.03502	2.4
171.04976	2.9
173.02942	27.0
173.04460	2.1
174.03040	1.9
175.04460	27.5
176.04686	2.3
177.02512	2.6
177.04141	2.6
181.05598	2.4
183.04991	6.7
184.04443	2.4
184.05887	3.8
185.02953	4.8
185.06644	3.0
186.03076	1.8
187.04553	3.5
189.04059	1.7
191.05467	2.7
193.05479	1.9
194.07169	9.0
194.57298	2.4
195.05042	3.2
197.02985	5.3
201.00676	2.8
203.03987	19.7
203.05598	8.9
205.03764	3.9
205.05565	15.5
205.07310	2.8
207.05009	14.1
209.06520	5.3
211.04596	4.0
211.06615	4.1
213.06090	3.2
215.05534	11.1
219.01782	3.3
219.04996	8.8
221.04951	18.0
221.06627	36.4
222.06885	1.9
223.04765	2.3
223.06589	50.5
224.06761	2.6
225.06050	9.3
226.06027	1.6
227.07657	8.1
233.06555	91.3
234.06842	4.9
235.04147	11.3
235.06580	9.2
237.06042	7.3
239.04027	2.2
241.07651	23.0
242.07718	2.4
244.99899	2.0
245.04858	9.6
247.04492	5.0
247.06723	2.5
249.06084	5.0
251.07629	18.1
253.05551	19.5
256.08200	3.0
261.06158	1.9
263.05930	17.8
264.06577	2.1
265.05194	8.5
265.07922	10.6
266.08093	1.9
271.06592	3.6
277.05472	28.2
277.08069	2.9
279.09283	2.4
281.08817	2.7
289.05466	4.7
291.04221	2.1
291.09378	38.8
293.07034	8.5
295.06577	35.5
296.06683	2.7
305.01837	3.7
305.10614	1.7
306.10745	2.1
307.06241	2.5
309.08081	21.4
313.07684	3.3
317.07175	3.8
318.08243	2.6
319.06216	2.8
335.08160	6.5
337.07404	8.9
337.09827	12.8
349.09628	1.9
355.08676	26.6
361.06134	9.3
365.04886	1.7
367.10983	4.0
373.09750	22.3
375.10101	1.7
379.06793	17.0
379.11014	7.3
397.09390	39.9
398.09830	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	397.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	2.4
58.99847	2.0
61.02913	1.5
69.03402	3.2
69.34284	7.6
69.34699	3.0
70.99844	1.3
77.00885	3.4
81.03389	1.6
82.99841	2.0
83.88033	1.0
84.97567	0.9
85.02882	5.7
91.05466	1.5
95.01921	2.8
97.02856	2.9
99.04436	1.7
101.00861	25.7
102.00917	1.2
103.02465	1.2
105.00349	1.0
110.07089	1.1
113.00838	1.3
115.02388	3.6
119.01901	92.0
120.01959	3.7
127.02393	3.1
127.03885	2.3
131.01959	2.2
131.49693	1.1
133.03450	10.2
133.04279	1.8
137.02940	14.2
139.02362	7.8
142.03482	2.6
143.01878	16.2
145.03442	37.5
145.04675	1.8
146.03525	1.7
147.04955	1.6
151.04558	1.3
155.01898	2.2
157.03442	78.6
158.03554	3.4
161.02925	30.9
162.03113	1.5
163.04546	10.5
169.03461	1.4
173.02971	2.8
175.04494	45.5
176.04550	1.2
180.05020	1.5
181.05566	6.0
182.09499	1.0
183.04919	1.5
184.04402	1.4
184.05798	1.4
185.02911	1.5
187.04500	3.6
194.07085	16.5
194.57147	2.8
197.02927	1.1
203.03969	3.5
205.05531	25.7
207.05054	1.3
211.06633	2.0
219.05066	1.3
221.06593	3.7
223.06590	100.0
224.06821	3.7
227.03993	1.4
233.06551	8.0
235.06201	4.5
241.07646	40.7
242.07861	2.8
245.05017	2.1
246.08206	5.5
251.07848	1.3
253.05356	1.2
263.06131	1.2
263.09744	4.4
265.05164	1.5
265.07654	16.2
266.07819	1.3
277.05487	3.1
279.09006	1.6
291.09201	95.9
292.09439	7.2
293.07092	17.7
295.06470	3.7
307.08759	5.5
309.08041	1.9
311.08276	1.4
317.07220	9.2
319.08752	2.0
321.10202	1.0
335.08145	22.2
337.09918	9.1
361.06140	22.6
362.06616	2.5
379.06982	43.9
379.10977	6.3
380.07251	3.9
397.08142	35.2
398.08609	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01865	1.5
55.05496	4.2
56.05022	7.2
57.03417	3.7
60.04509	2.1
67.05493	2.5
68.35131	1.1
69.03416	8.8
69.07040	2.3
70.06574	3.2
71.04953	2.9
71.62301	1.7
71.62670	1.9
72.08128	2.0
73.02920	3.0
73.06537	4.0
74.06066	100.0
74.09710	2.0
79.05481	1.8
80.05026	1.2
81.03403	8.4
81.07032	3.9
83.04965	1.9
83.08592	1.9
84.04484	2.2
85.02890	13.4
85.06544	3.2
86.06082	2.4
86.09660	1.3
87.04494	1.2
87.38347	1.3
90.05528	3.2
91.05417	1.3
93.07034	5.2
95.04976	5.6
95.08601	2.4
97.02874	6.2
97.06515	4.0
98.02408	1.2
98.06035	11.9
99.04443	3.9
101.06007	5.7
102.05522	11.6
105.07010	1.5
107.04954	1.5
107.08578	4.5
109.02861	9.4
109.06485	3.7
109.10142	1.7
111.04430	2.0
111.08059	2.4
113.05985	4.0
114.05502	1.4
116.07069	49.6
120.06555	36.8
120.08071	2.4
121.02859	5.1
121.06488	2.3
123.04459	1.2
124.07593	1.7
125.02359	1.2
125.05975	1.8
125.09627	1.3
127.03912	11.0
127.07554	2.1
133.10086	1.2
135.08022	3.9
135.11617	1.3
137.05994	2.1
139.03885	2.2
139.07550	2.8
141.05464	1.2
141.09129	1.6
143.07033	1.7
144.06534	57.7
145.04938	3.7
145.10123	1.4
151.03879	1.6
153.09088	4.5
155.06923	1.6
162.07603	21.2
163.07497	2.0
163.11197	2.4
167.07086	2.0
169.08601	1.3
171.10152	1.4
175.08583	1.1
181.08559	10.8
181.12244	2.8
182.08034	1.5
185.11676	1.5
187.10855	2.5
199.09644	15.6
199.13287	1.9
202.10771	1.6
210.07564	2.7
217.10687	7.4
219.79781	1.1
228.08528	2.6
234.05540	1.1
234.07651	2.0
234.11421	1.7
235.06004	8.9
235.10747	1.6
240.08765	1.4
246.09795	1.8
251.18272	1.1
264.10843	1.4
270.09686	8.9
288.10654	11.3
306.11819	12.5
360.16376	8.2
361.07474	1.3
378.17447	1.7
396.16418	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01861	6.9
55.05494	0.8
57.03433	4.6
57.07071	1.3
59.04990	0.6
59.60014	0.5
61.02919	6.4
67.05489	1.5
68.99785	2.0
69.03420	32.7
69.07063	2.5
71.04986	4.5
71.08617	2.3
71.63003	0.9
73.02905	5.9
79.05491	0.9
81.03406	20.6
81.07035	3.1
83.01315	1.1
83.04974	1.3
83.08614	0.5
85.02894	100.0
86.03237	1.6
87.00818	37.7
87.04477	1.2
91.03931	1.1
91.05469	1.5
93.07037	2.7
95.04942	1.5
95.08589	1.9
97.02878	26.6
97.06531	1.3
98.03202	0.8
99.04445	14.3
101.02392	1.1
105.01853	78.5
105.07018	2.3
106.02167	0.9
107.08585	2.3
108.04484	2.4
109.02864	25.6
109.06498	1.0
109.10124	0.8
110.03188	0.6
111.04414	0.6
111.11708	1.3
115.03906	1.1
117.01844	1.9
117.06981	0.7
119.08556	1.6
121.06500	3.5
121.10108	1.2
123.02905	1.0
125.09595	1.1
126.05502	1.1
127.03902	75.0
128.04251	1.7
129.01851	3.4
131.08563	1.1
133.10107	1.2
135.11673	0.9
136.07610	0.9
137.23869	0.6
139.03807	0.6
145.04939	32.5
145.10095	1.6
147.02856	1.8
147.04352	0.5
147.11690	0.8
151.07478	0.6
157.10115	0.8
159.02861	13.4
159.07956	0.6
159.11703	1.0
162.12729	0.7
167.06944	0.6
169.10063	0.8
171.02820	0.7
171.11746	0.6
177.03909	0.6
179.10634	0.6
183.11668	0.6
189.03899	3.9
213.03918	3.9
217.15807	0.8
230.06564	0.7
231.04971	27.4
235.16884	1.2
248.07507	1.4
249.06050	9.1
282.18597	1.3
361.18396	0.8
396.21060	1.3
396.29428	2.7
397.21405	0.7
397.26239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86489	1.4
55.05494	7.4
57.07064	13.0
62.91140	1.7
67.05492	10.8
69.07057	16.4
71.08626	14.1
71.23056	4.3
79.05465	7.0
81.07042	40.3
83.08611	9.3
85.10158	8.8
89.06014	2.9
91.05447	14.5
93.07038	10.8
95.08588	25.8
97.10152	6.0
105.07011	20.0
107.08559	11.3
109.10146	9.4
111.11693	5.6
117.07005	6.4
119.08553	10.5
121.10130	4.7
122.22639	1.7
122.86205	1.7
123.11689	6.1
125.13277	3.2
131.08571	11.5
133.10104	24.5
135.11690	3.8
143.08539	3.6
145.10091	39.2
147.11665	17.1
149.13242	4.0
151.07539	3.2
157.10147	6.6
159.11681	24.1
161.13261	4.8
171.11647	2.5
173.13217	8.5
175.14769	2.2
185.13275	4.0
187.14819	3.0
195.12210	2.4
196.12567	2.1
199.14757	2.7
201.16353	3.3
213.16406	4.8
227.17964	2.6
241.19548	3.8
247.24025	1.9
255.21033	5.1
275.27200	3.1
296.16891	2.3
389.32538	1.9
395.36649	100.0
396.37112	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	396.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.8
55.01863	1.6
56.96523	1.1
57.03420	3.7
59.79845	0.9
61.02912	2.0
69.03069	1.5
69.03421	21.6
70.06580	1.7
71.04973	4.7
71.62076	1.3
72.08115	1.2
73.02911	1.4
74.06071	5.8
81.03404	21.8
81.07027	1.5
82.03828	1.1
83.04951	1.4
84.08125	3.4
85.02893	31.9
85.06504	1.4
87.04449	2.0
88.36351	1.0
93.07010	1.7
95.01314	44.2
95.04967	2.7
97.02878	13.2
98.97570	2.1
99.04445	5.2
102.05548	1.4
107.04919	1.3
107.08600	2.2
108.08127	1.5
109.02872	19.5
109.06490	1.5
113.02354	100.0
114.02661	2.4
114.05558	1.1
116.07061	2.9
118.08652	1.2
119.01910	1.3
120.06543	1.3
120.08082	1.1
121.02840	2.8
121.06512	2.4
123.04356	1.9
123.06541	1.2
125.05904	1.5
127.03892	24.1
134.99564	1.2
135.08040	1.9
137.05902	1.2
144.06619	2.7
145.04945	4.0
145.06186	0.9
147.04401	1.6
151.03902	1.0
153.09131	1.7
155.03345	1.4
158.03563	1.2
167.07016	2.6
173.02959	1.4
181.08562	2.9
181.12222	1.4
188.06923	1.2
197.94185	1.2
199.09715	7.4
200.07031	1.1
208.21474	1.1
217.10635	3.1
219.06558	1.4
221.04465	4.1
223.09048	2.5
234.99043	1.7
235.05988	4.9
236.04463	1.2
239.05482	35.3
253.05637	1.5
257.06531	32.3
293.03372	1.1
306.12122	1.4
315.72134	1.1
355.08795	2.6
373.09726	2.7
396.12863	3.6
397.11188	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.0
57.07072	17.5
61.09086	1.8
67.05491	19.8
69.06714	2.1
69.07060	26.0
69.43537	11.2
69.43959	3.4
71.08620	16.6
79.05492	12.3
81.07047	51.9
82.37991	1.5
83.08613	12.2
85.10175	11.4
85.93829	1.7
89.06026	1.7
91.05460	18.4
93.07031	15.4
95.08598	32.2
97.10146	11.2
105.07026	33.2
105.07738	1.9
107.08596	15.9
107.34240	1.5
109.10138	16.3
111.11689	6.5
117.07020	14.2
119.08568	12.7
121.10155	10.4
121.14977	1.4
123.11669	7.8
125.13249	2.0
129.06972	4.3
130.07724	2.3
131.08549	19.2
133.10123	32.3
135.11711	5.8
137.13252	3.4
139.14758	1.6
142.07787	2.0
143.08554	5.7
145.10104	50.4
147.11655	18.1
149.13252	3.6
155.14291	1.4
157.10123	8.8
159.11685	39.4
160.12129	1.9
161.13223	7.2
163.14827	3.0
171.11722	4.1
173.13206	11.2
175.14818	3.9
180.59073	1.5
185.13239	4.6
187.14838	4.4
189.16473	2.4
195.12364	1.6
199.14798	6.6
201.16339	4.1
203.17914	2.3
213.16414	6.6
227.17957	4.7
241.19545	4.4
247.24167	3.4
255.21188	5.9
289.28891	1.7
297.25903	1.6
301.28857	1.8
395.36694	100.0
396.37140	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	395.2937
Annotation	Sargaol
Peak:m/z	Relative Intensity
53.03930	1.6
55.05508	5.5
55.50281	0.7
57.07058	1.1
65.03916	1.1
67.05167	0.8
67.05495	11.8
69.07059	6.6
71.32983	1.5
79.05045	1.0
79.05482	11.2
81.07041	26.1
83.08581	2.7
85.06532	1.0
91.05460	11.6
93.06458	1.3
93.07029	25.2
95.04950	1.8
95.08591	22.3
97.10117	0.9
105.07011	29.0
106.07334	1.0
107.08576	29.0
109.06497	1.0
109.10130	10.4
111.08071	0.9
117.07018	4.0
119.08560	26.1
121.10118	19.6
122.10408	0.9
123.08012	1.3
123.11678	5.1
129.06944	2.7
130.07741	0.8
131.08546	13.2
131.27762	0.7
133.10110	43.7
134.10448	0.8
135.08044	1.4
135.11661	19.6
137.13249	1.2
142.07751	0.9
143.08540	4.6
144.09288	2.3
145.10095	16.1
145.11128	1.3
147.10472	1.1
147.11658	19.5
149.13239	10.3
153.09055	1.5
155.08533	2.5
156.09302	0.9
157.10107	7.5
158.10785	0.9
159.11671	28.5
160.12091	1.5
161.09589	1.0
161.13231	37.9
162.13522	1.5
163.14778	4.8
169.10124	2.9
171.11650	6.4
173.09447	0.7
173.11719	1.1
173.13235	19.4
175.14792	13.3
177.16318	3.5
181.10088	1.3
183.11638	3.6
185.13191	3.2
187.14778	12.6
188.15338	0.7
189.16350	12.7
195.11722	1.1
197.13220	3.3
199.14812	5.8
201.16356	18.2
203.17882	4.7
211.14778	2.9
213.16356	10.3
215.17911	8.1
217.15910	1.0
217.19498	1.0
223.14838	1.5
225.16333	5.2
227.17903	6.1
229.19519	1.6
235.16890	1.5
237.16315	1.2
239.17883	4.0
241.19464	4.7
243.17271	0.7
243.21001	1.1
245.15633	0.7
247.14682	0.8
247.17014	3.8
249.18495	1.6
251.17892	0.7
253.19469	8.1
255.21034	2.4
259.16904	3.1
261.18527	5.2
265.19418	1.0
267.21048	2.9
269.22617	2.1
271.16852	2.4
273.18600	4.0
279.20984	2.8
281.22333	0.9
285.18512	2.1
287.20004	3.0
293.22498	1.9
299.19974	9.1
301.21555	2.0
307.24118	1.7
311.20004	0.8
313.21561	1.7
315.23206	1.8
321.25769	0.9
325.21475	1.4
339.23270	1.0
346.45340	0.7
349.28842	32.6
350.29309	3.5
353.24783	0.9
354.05389	0.7
367.30005	0.9
377.28381	1.6
395.29367	100.0
396.29691	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	395.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.6
55.05463	0.5
69.03407	1.1
69.07050	0.9
70.06575	2.0
71.04955	0.7
71.61739	0.9
74.06076	0.9
81.03394	0.8
81.07043	0.6
84.04479	0.7
84.08138	0.6
85.02893	1.8
95.04953	0.9
95.08621	0.4
97.02864	1.2
97.55228	0.4
98.97543	0.4
101.04205	0.4
107.08542	0.5
109.02852	1.1
112.07568	1.2
113.03499	1.9
114.05515	0.5
119.08524	0.5
120.08053	0.6
121.02824	1.9
127.03874	0.9
136.07498	0.4
137.05893	1.1
140.07068	0.8
144.06537	0.9
145.05034	0.4
147.04358	1.3
157.51694	0.4
162.02118	0.5
187.08763	0.4
197.08125	0.5
199.08705	1.6
200.09348	1.6
201.10210	1.2
211.08618	2.1
212.09364	0.7
213.10202	5.7
214.10956	0.8
215.11772	7.1
217.09711	1.5
217.12735	0.4
223.12346	0.4
225.06651	0.5
225.10277	3.2
226.10936	1.2
227.08061	0.9
227.11650	0.9
228.09018	0.5
228.12535	0.6
229.09744	1.9
231.11241	1.4
234.07520	0.5
234.99031	0.8
239.08281	2.7
239.11801	3.5
240.08925	1.3
241.09686	3.5
241.13260	3.1
242.10463	3.4
243.07652	0.8
243.11255	7.1
245.09087	1.1
249.10016	0.8
251.11687	0.7
253.09689	5.2
254.10548	0.6
255.11212	0.9
256.12024	1.0
257.09229	3.2
257.12845	1.2
259.10742	2.8
263.10199	2.6
266.12451	0.4
267.07687	0.5
267.11249	2.7
268.08466	2.0
269.12781	3.9
271.10736	24.6
272.11078	0.6
275.10202	2.6
282.10135	0.5
285.09097	0.9
285.12137	4.1
286.09338	0.7
287.10889	0.5
287.13745	2.3
295.10645	1.9
297.12299	6.3
300.10873	0.8
303.09750	1.3
303.13443	1.1
304.10553	0.5
313.11816	7.2
315.13306	6.2
321.10718	3.2
323.10318	2.4
331.12863	3.2
333.14392	2.0
335.07846	1.4
341.11276	6.8
349.13870	1.9
359.12326	12.8
377.13351	17.5
378.13644	1.0
395.14410	100.0
396.14706	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	395.1332
Annotation	Fortuneanoside A
Peak:m/z	Relative Intensity
51.02365	1.2
53.03952	5.0
55.01871	1.7
57.03422	3.6
61.02919	5.5
66.64158	0.7
67.05489	2.7
69.03431	7.5
69.07056	1.1
71.04980	1.6
71.62655	1.8
73.02908	2.3
79.05477	1.6
81.03418	6.0
81.07045	4.4
85.02898	24.1
91.03932	0.9
91.05471	2.2
93.07033	2.2
95.04940	6.6
95.08579	3.1
97.02884	9.5
97.06485	1.0
99.04439	3.1
105.03381	55.1
105.04509	2.3
105.07019	2.6
107.04979	1.0
107.08607	1.5
109.02862	2.9
109.10137	3.5
119.04966	1.1
119.08538	1.8
121.10122	1.7
123.04420	68.0
123.11711	1.8
124.04757	1.7
125.09592	1.4
127.03912	5.6
128.07240	1.0
131.08548	2.3
135.07945	1.2
135.11697	1.7
139.03886	20.3
145.04968	4.9
145.06482	2.9
145.10054	1.5
147.04402	3.8
147.11668	1.0
149.09528	0.9
151.03922	8.1
159.08073	2.5
163.11127	1.0
169.06509	1.9
171.11655	0.8
172.05159	1.3
173.05997	1.4
173.09663	1.0
183.08041	1.5
187.07530	26.0
187.11098	1.0
189.05577	1.0
191.07022	7.3
197.05952	2.0
197.18913	1.1
200.04659	4.1
207.06557	1.6
211.07506	3.4
215.07010	54.6
215.20186	0.9
216.07416	1.8
225.08969	1.0
227.07060	3.5
231.06255	0.9
233.08067	100.0
233.21213	0.9
234.08438	2.9
239.06969	3.1
243.02820	1.4
245.08003	5.9
253.08626	1.5
257.08124	7.2
269.08105	1.3
273.07596	2.4
275.09097	3.8
281.08109	1.9
293.07904	1.2
299.09158	7.8
311.09067	1.7
341.10129	2.0
350.84326	1.0
359.11209	1.9
395.12094	1.3
395.20346	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	395.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.5
51.02356	1.2
52.53327	0.3
53.03933	3.6
55.01866	0.8
55.05494	0.7
56.56232	0.3
57.07063	0.4
65.03931	0.6
67.05492	1.7
68.99786	0.6
69.03429	1.0
69.07059	0.3
69.49609	2.4
71.04982	0.4
77.03910	1.6
79.05499	0.3
81.03409	1.1
81.07030	1.4
83.04975	0.4
83.08588	0.6
85.02901	0.6
85.06533	0.5
88.36209	0.2
91.05486	0.7
93.03376	0.4
93.07050	0.9
95.04951	9.0
95.08575	1.3
97.02853	0.4
97.06503	0.3
97.10146	0.4
99.04443	0.3
105.03373	73.3
105.04517	1.9
105.07009	0.9
106.03682	1.2
107.08584	0.5
109.02867	0.4
109.06499	0.4
109.10133	1.1
111.00780	0.4
111.04466	1.2
119.04900	0.5
119.08580	0.7
121.10117	0.6
123.04406	100.0
123.11646	0.5
124.04743	1.8
127.03909	0.5
131.04895	0.5
131.08522	0.7
133.10046	0.5
139.03877	31.2
140.04221	0.6
145.10143	0.4
147.04385	2.2
147.07864	0.2
151.03880	9.3
157.10147	0.4
159.11649	0.6
163.03886	0.9
163.07481	0.3
167.03358	0.6
169.10130	0.3
173.13231	0.3
176.79646	0.2
179.17929	0.3
181.06508	0.4
187.14801	0.3
189.05473	0.5
197.18964	0.7
198.15742	0.5
215.14227	0.6
215.20036	0.4
227.07005	0.7
229.08580	0.4
233.09380	0.3
233.15263	0.3
233.21001	0.4
243.02838	0.8
245.04457	0.5
255.06487	0.6
269.07999	0.9
273.07553	3.7
362.83176	0.3
369.60294	0.3
395.12769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19040	1.6
61.02902	2.6
69.03410	6.1
69.99937	9.8
73.02885	2.7
84.08138	4.1
85.02902	14.1
86.88188	1.6
92.41065	1.8
97.02861	4.7
98.55719	1.7
101.00871	2.8
115.02351	2.0
119.01920	4.9
127.03912	4.2
130.08603	2.9
133.03397	2.6
143.01897	2.6
145.03419	2.7
145.04955	2.9
155.01892	3.4
157.03439	3.2
159.03224	2.2
166.07092	1.8
171.05037	2.7
173.02928	5.1
179.05687	2.4
221.04997	3.2
223.06648	3.9
245.05002	3.0
261.08200	3.4
265.36533	1.9
266.07986	1.8
279.09241	5.8
307.40353	1.8
375.59100	1.7
390.19360	1.7
395.05280	100.0
395.13861	43.0
396.05637	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01868	1.9
55.05510	1.5
56.05004	0.9
56.96545	1.1
57.03432	2.7
59.07524	0.8
61.02918	3.5
67.05500	1.3
69.03424	8.2
69.07056	1.2
69.89619	5.9
70.06587	4.4
72.04493	1.1
73.02913	2.2
74.06094	1.4
78.11100	0.9
79.05507	3.2
81.03419	3.5
81.07049	1.2
84.04498	3.9
84.08136	18.6
85.02898	23.0
86.09721	1.3
90.05576	1.2
91.03945	1.7
91.05469	12.7
95.04953	2.2
97.02899	8.1
98.97580	1.3
99.04439	2.4
103.03977	1.4
107.04950	7.2
109.02879	3.3
112.07588	1.1
116.98628	1.2
119.01957	1.1
119.04932	40.4
120.08116	1.8
121.02886	1.9
121.06493	6.4
123.04381	1.8
123.83749	1.0
124.07613	1.2
127.03909	7.3
131.04868	0.9
133.06499	1.3
135.04398	11.5
135.45441	0.9
137.05974	37.7
138.09209	1.3
140.07117	1.0
145.04941	5.1
147.04401	70.6
148.04695	1.6
149.05949	7.8
151.07552	7.9
155.01904	1.3
160.07722	1.0
161.05933	1.2
162.04158	4.6
163.03947	1.7
163.07527	1.6
164.04686	1.2
165.05457	2.0
167.07050	25.4
174.09169	1.5
177.05453	1.7
179.07027	100.0
180.07417	2.9
181.08586	1.6
188.10701	2.1
191.06987	2.2
197.08086	7.9
202.10843	1.2
211.09683	1.2
216.10237	5.0
219.01672	1.3
220.11743	1.0
221.05020	1.7
222.05438	2.2
233.12820	2.4
234.98973	1.1
237.02834	2.0
259.63699	1.1
261.57791	1.2
263.08951	4.6
275.09286	2.6
276.09869	1.9
293.10181	1.4
295.47485	0.9
302.17041	1.8
306.11008	2.0
311.11227	7.0
330.20041	4.9
334.10623	1.6
341.60092	1.1
352.11728	1.2
394.20239	4.7
394.34650	1.7
394.52881	1.1
395.07309	1.1
395.13321	2.5
395.18268	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01854	2.1
56.96554	2.9
57.03418	4.3
60.04506	1.7
61.02908	6.4
65.03943	1.6
67.05463	1.8
67.47366	1.2
69.03413	16.1
69.07055	2.5
69.53010	12.1
70.06573	2.9
71.04982	2.7
73.02901	3.8
74.06072	1.6
77.00901	1.9
79.05471	5.9
81.03403	6.7
81.07034	5.1
83.04971	2.1
84.08129	2.7
84.36693	1.3
85.02887	43.8
87.04495	3.3
91.03922	2.5
91.05469	11.9
93.06966	1.3
95.04942	3.8
95.97917	1.5
97.02877	19.2
98.97562	3.3
99.04443	3.2
101.00890	5.7
101.10753	2.6
107.04949	3.3
109.02879	3.3
109.06504	21.4
111.04417	2.1
113.03489	1.4
115.03895	2.1
116.07065	1.9
116.98627	2.7
119.01897	20.2
119.04905	17.9
120.01989	5.0
121.01648	2.5
121.02821	12.6
121.06466	5.1
122.03663	1.7
123.04443	3.5
127.02440	2.1
127.03886	9.8
131.01894	8.2
132.01987	2.7
133.01674	1.5
133.02724	2.3
133.03563	2.3
135.04410	3.2
136.03700	2.0
137.02956	3.5
137.05952	100.0
138.06267	3.3
140.03398	5.7
140.06972	1.7
143.01874	12.6
144.01996	5.5
145.03554	7.8
145.04886	9.6
147.01355	2.6
147.04372	42.7
147.05510	2.9
149.02921	1.8
151.07521	2.5
153.05441	2.9
155.01891	6.1
156.01881	2.1
157.03473	7.7
158.99562	1.7
161.02925	18.8
162.03029	11.1
163.02661	3.3
163.03914	4.5
165.05446	28.1
166.07228	6.0
167.07013	6.1
169.03441	2.1
171.04991	2.9
173.02933	7.7
173.06639	3.0
174.03093	3.2
174.06781	3.8
175.02792	1.5
175.04520	4.9
176.04684	3.3
177.05588	1.6
179.07013	44.2
180.07344	2.5
181.08562	2.3
185.02991	3.0
185.06584	3.4
186.06799	3.1
187.04529	4.1
189.06035	2.1
191.07681	1.9
197.08060	96.9
198.06714	2.5
198.08473	4.2
199.04457	2.9
203.04007	5.5
203.07651	1.8
204.04189	2.9
204.07848	2.0
205.03714	2.0
205.05600	3.1
215.04025	1.7
216.07809	1.9
219.01781	1.7
219.05179	1.6
221.05005	10.8
222.05128	7.4
223.04631	5.2
223.06647	4.7
225.06079	1.9
232.06377	1.6
235.04567	4.1
239.04155	1.8
241.05539	1.8
245.05013	8.3
246.05196	6.6
247.04646	4.1
249.06429	1.7
253.05571	2.5
260.14920	3.3
261.56604	1.5
263.03922	2.1
265.05301	2.5
265.07751	5.5
269.04987	2.0
273.08127	3.1
275.09717	2.3
276.09854	5.2
279.03937	2.3
281.05072	4.4
293.04996	6.3
293.10703	7.4
294.10950	10.4
295.10526	3.2
305.10678	2.4
306.10678	2.8
308.08890	2.2
309.08472	1.8
311.05972	5.2
316.09421	5.3
317.08951	1.7
323.06186	2.0
323.09610	1.6
327.08810	1.7
334.10339	8.5
334.13672	4.2
335.09930	4.1
352.11646	2.8
353.06894	1.9
353.10925	2.1
358.22220	3.4
367.10931	2.1
371.08163	1.9
376.11450	4.5
376.23325	3.7
384.48288	1.4
389.09091	4.0
394.12943	13.3
394.24356	5.0
394.34637	1.8
395.11880	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	393.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
55.05258	1.2
55.05505	15.7
57.07067	14.8
67.05495	12.7
69.07059	23.5
69.39962	8.8
69.40296	1.5
71.08618	8.4
71.56425	0.9
79.05027	1.6
79.05476	11.4
80.37393	1.0
81.07047	57.0
82.07389	1.2
83.08607	37.2
85.10184	5.3
91.05459	8.7
93.07038	13.4
95.04936	0.9
95.08597	19.9
95.09160	1.7
97.10155	9.1
105.07018	17.7
105.62875	0.9
106.88962	0.9
107.08580	15.7
108.08926	1.5
109.10142	14.1
111.11711	1.7
117.07002	4.9
119.08574	11.2
121.10129	10.7
122.10437	1.0
123.11737	4.8
125.13251	1.3
128.06221	1.8
129.06969	5.4
131.08543	11.1
133.10101	14.2
135.11659	6.2
137.13243	2.5
139.14844	1.6
141.06995	2.1
142.07788	4.1
143.08562	7.6
144.09306	1.4
145.10100	19.2
146.10394	1.1
147.11678	10.1
149.13254	3.4
154.07819	1.2
155.08536	6.2
156.09305	1.1
157.10106	29.9
158.10556	0.9
159.11679	20.9
160.12044	1.4
161.13237	4.8
163.14832	3.7
169.10080	5.0
171.11674	9.5
172.12080	0.8
173.13281	6.9
175.14842	3.6
177.16356	2.0
181.10187	1.6
182.10818	1.0
183.11661	8.8
184.12421	1.1
185.13228	15.3
186.13817	1.2
187.14838	5.3
189.16412	1.8
191.17889	1.0
195.11726	2.0
197.13260	8.8
198.13799	1.2
199.14819	10.2
201.16377	4.5
203.18028	1.2
209.13345	2.8
211.14809	11.5
213.16388	5.0
215.18001	1.9
220.12617	0.9
223.14861	1.8
225.16328	6.1
227.17999	1.7
237.16328	5.3
239.17938	8.6
241.19547	1.1
251.17957	4.1
252.18710	9.7
253.19478	21.0
254.19789	1.3
267.21155	1.7
273.25516	0.9
281.22748	2.2
295.24121	5.1
299.27316	1.5
309.25763	2.6
313.28973	2.6
325.28915	0.9
327.30380	1.7
337.28616	1.5
347.27350	1.8
361.87601	0.9
375.26480	1.5
376.26080	1.4
393.27661	12.6
393.35144	100.0
394.29926	1.8
394.35300	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	393.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.7
55.95546	1.0
57.07061	4.0
67.05492	11.7
69.07056	15.3
71.34024	1.4
71.34362	2.1
75.84046	1.1
76.79247	1.0
79.05472	4.9
81.07046	36.1
83.08615	5.8
89.06021	3.0
91.05458	4.9
93.07035	17.1
93.85466	1.4
95.08592	51.9
97.10166	3.5
105.07021	13.3
107.08582	27.8
109.09442	2.3
109.10143	27.3
109.10896	1.3
111.11694	2.1
115.50801	1.1
117.07018	2.2
119.08564	21.8
121.10137	24.7
123.11694	16.6
131.08536	8.0
133.08569	1.4
133.10114	14.0
135.11667	20.2
137.13234	11.0
143.08553	3.9
145.10104	14.8
147.11662	13.2
149.13232	24.0
151.14815	3.5
157.10104	7.2
159.11668	15.9
161.13214	7.5
163.14816	9.1
171.11653	6.1
173.13249	8.7
175.14801	5.9
177.16418	7.6
181.68304	1.2
185.13222	5.1
187.14844	11.1
189.16351	8.7
191.17863	5.2
195.12262	4.2
195.25621	1.1
199.14746	2.8
201.16322	9.8
203.17932	11.9
213.16327	5.6
215.17905	9.8
217.19440	6.1
227.17928	4.8
229.19481	7.9
231.21082	2.2
239.17882	1.5
241.19540	5.4
243.21013	13.3
253.19441	1.5
255.21039	12.6
257.22617	10.3
269.22687	9.7
271.24054	1.3
281.22699	1.3
283.24136	2.1
297.25803	5.4
309.25623	2.3
323.27371	2.3
337.28775	2.1
351.30359	4.4
376.25949	1.4
379.00269	1.0
385.76620	1.1
393.35089	100.0
394.35468	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	393.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52682	0.6
55.05495	4.8
57.03419	4.9
57.07064	34.4
63.66963	0.7
67.05165	1.0
67.05493	12.1
69.07058	8.6
69.62899	3.0
69.63318	2.0
70.45231	0.7
71.08619	25.0
79.05462	1.8
81.07042	18.6
83.08601	10.5
85.06523	0.9
85.10167	14.6
89.06017	1.8
91.05438	0.7
93.07018	2.5
94.07293	0.7
95.04939	0.9
95.07969	0.9
95.08588	23.8
97.10152	5.5
98.98448	54.5
105.07005	1.8
107.08578	1.3
109.10131	11.2
111.11697	1.5
116.99482	1.9
119.08568	2.1
121.10128	1.5
123.11697	5.7
124.99972	0.8
125.13281	1.0
131.08546	0.9
133.08604	0.8
133.10089	1.0
135.11644	0.8
137.13208	2.8
140.01076	1.0
143.08424	0.7
145.10100	1.6
149.13268	0.8
151.14810	0.7
155.01010	100.0
156.01382	1.6
157.10091	1.1
159.11642	1.5
159.22380	0.7
173.13234	1.3
195.12267	1.6
196.03682	1.0
203.18068	0.7
215.44203	0.6
217.40285	0.8
221.22615	1.4
239.23676	11.8
240.24054	0.7
376.25851	1.3
393.23679	1.3
393.34967	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.05502	23.3
55.26151	2.2
57.03409	2.9
57.07066	19.3
65.03946	2.5
66.52973	2.5
67.05490	36.4
69.03401	3.0
69.07050	26.1
71.04973	3.4
71.08614	12.3
79.05473	37.3
79.05893	3.2
81.07037	75.0
83.04969	4.0
83.08601	13.6
85.10172	5.1
91.05462	50.9
91.05991	3.4
93.07024	90.8
95.04951	61.2
95.08583	75.8
97.06532	11.4
97.10166	4.8
98.20795	7.7
98.98441	23.7
101.99415	2.4
103.05457	4.4
103.65123	2.4
105.07005	100.0
106.07329	4.2
107.05005	3.6
107.08573	58.2
108.08889	3.8
109.06516	16.9
109.10129	39.2
111.08047	3.9
115.05444	4.6
116.06197	4.7
117.06993	21.3
119.08556	98.1
121.06477	24.5
121.10126	40.6
122.10398	2.5
123.08074	10.5
123.11720	10.9
125.09692	3.2
128.06229	9.9
129.06987	18.4
130.07761	8.1
131.08559	43.0
132.09390	4.9
133.10110	54.9
133.11081	4.3
134.10448	3.1
135.08049	7.8
135.11656	27.7
136.11990	3.0
137.09662	2.7
139.11179	3.8
141.06952	8.4
142.07765	23.6
142.87141	2.3
143.08533	38.3
144.09283	10.6
145.10098	77.6
146.10527	7.0
147.08044	3.9
147.11676	24.5
149.09557	4.9
149.13260	4.5
151.11157	3.3
154.07825	3.4
155.01012	34.8
155.08487	13.9
156.09314	13.0
157.10091	61.8
158.10703	8.0
159.08038	5.0
159.11665	41.5
161.09593	20.9
161.13237	9.0
163.14841	3.4
165.06969	4.2
167.08554	6.6
168.09273	3.9
169.10091	23.2
170.10809	4.9
171.11682	29.2
172.12260	5.5
173.09601	4.6
173.13248	24.2
174.13730	3.7
175.11185	9.8
175.14752	14.9
179.08517	6.7
180.09230	3.5
181.10088	8.0
182.10847	4.1
183.11601	17.5
184.12498	5.2
185.13300	14.7
187.11160	9.7
187.14807	14.5
192.09235	3.3
193.10117	7.7
194.10811	3.9
195.11607	12.4
196.12125	3.5
197.13232	18.0
199.11163	3.7
199.14790	10.6
201.12677	5.4
201.16351	8.8
205.10086	2.4
205.15866	3.1
206.10776	3.2
207.11688	10.3
209.13202	19.8
210.13863	2.8
211.14804	11.3
213.16283	5.9
213.82083	2.5
219.11624	3.2
219.17426	3.4
221.13274	6.9
223.14864	6.3
225.16313	7.4
227.14317	3.6
235.14687	4.8
237.16315	5.3
239.18153	3.1
239.23660	6.0
249.16296	3.1
251.17941	4.4
253.15886	9.2
253.19359	4.0
255.16931	4.2
259.20407	2.6
263.18060	3.7
265.19525	6.0
266.20325	2.6
267.20950	3.2
271.20416	3.1
304.26257	5.6
314.28564	2.9
356.03879	2.9
375.26849	8.0
376.26376	5.0
393.27316	13.4
393.35516	3.2
395.46579	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56968	0.2
55.01836	0.2
55.05503	0.2
67.05464	0.4
68.05017	1.6
69.03411	0.4
70.06549	0.3
71.32782	0.5
73.02881	0.3
79.05473	0.4
81.07014	0.5
85.02888	0.3
86.02399	0.3
93.07008	0.2
95.04958	0.3
97.02868	0.2
105.06957	0.2
107.04932	0.3
107.08553	0.5
109.10144	0.3
113.05998	0.2
124.05046	0.5
125.05947	0.3
125.09603	0.3
127.03882	0.3
130.04997	1.0
133.10106	0.3
137.09576	0.3
140.03375	1.0
147.30879	0.2
149.04549	0.7
149.05698	0.2
150.35515	0.2
151.03854	0.4
159.11540	0.2
160.05162	0.2
166.07228	0.6
172.06000	1.0
189.06395	0.6
195.13757	0.2
197.08078	0.4
201.06398	1.6
202.07196	1.6
203.07977	1.8
204.08765	6.4
209.42712	0.2
210.07576	0.2
213.14813	0.2
215.07953	1.7
216.08765	100.0
217.09325	4.2
218.10342	5.9
225.04181	0.4
225.06396	8.2
226.07196	3.4
227.07927	1.3
228.08682	1.1
229.09511	1.4
230.10333	9.4
231.06444	1.7
231.10489	0.3
231.56223	0.2
240.08755	51.6
241.09357	3.0
242.06648	0.3
242.10262	0.5
246.09819	6.4
247.10043	0.3
255.09888	0.5
258.09872	2.7
267.09900	0.3
268.08261	5.0
272.11386	4.2
273.11584	0.2
283.09415	1.2
286.09332	0.4
300.10852	53.6
301.11060	2.0
311.08856	0.8
315.12042	1.1
315.20346	0.3
317.13342	0.3
333.12985	3.1
334.13293	0.2
343.11307	2.0
361.12491	5.5
362.12302	0.2
375.14029	6.3
393.15100	43.6
394.15433	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05482	0.5
59.12821	0.4
63.49503	0.4
67.05477	1.8
69.03405	1.1
69.07059	0.7
71.04964	0.9
71.61655	0.6
76.37099	0.4
79.05487	2.5
81.07046	3.5
83.04964	0.5
85.02867	0.5
85.06525	0.7
91.05462	3.4
93.07032	2.6
95.04944	1.6
95.08615	2.0
97.02901	0.4
97.06496	0.7
97.63625	0.4
99.04454	0.6
103.05437	0.9
105.07016	10.2
107.04931	1.2
107.08568	2.0
109.02862	0.5
109.06494	1.9
109.10121	1.6
111.08046	0.7
115.05413	2.6
117.06999	3.0
119.04895	1.2
119.08553	1.1
121.02858	0.7
121.06496	1.3
121.10098	1.6
123.04399	1.3
123.08028	2.7
123.11669	0.7
124.05218	0.5
125.09653	0.7
127.07540	0.5
127.11221	0.7
128.06165	0.8
132.05666	0.6
133.06479	8.6
133.10106	0.5
135.08049	2.1
135.11612	0.8
137.05954	2.0
143.05969	1.0
143.08539	1.3
145.06403	0.6
145.10135	0.6
147.04413	1.1
147.11693	0.5
149.05989	0.8
149.09648	0.7
151.06406	0.8
151.07523	11.0
151.11096	0.9
152.04730	0.4
153.12743	0.5
156.74583	0.4
161.05939	6.1
162.06714	2.3
167.07014	13.6
167.08417	1.0
171.08052	1.0
171.82159	0.4
173.13129	0.4
175.07491	2.1
177.09077	100.0
178.09424	2.7
184.05368	0.5
188.08250	0.8
193.08578	43.4
194.08902	1.0
195.10155	7.2
196.10400	0.7
203.10632	0.9
215.12711	0.6
221.11688	8.7
259.08362	0.8
393.14188	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.8
55.01867	1.5
55.05508	5.8
57.03421	4.3
59.04986	0.6
61.02902	2.5
62.05768	0.7
67.05492	1.0
69.03072	1.2
69.03416	17.0
69.07043	2.8
71.04977	8.3
71.18865	2.0
72.08148	1.1
73.02900	3.7
74.00632	0.9
79.05482	1.1
81.03399	13.8
81.07037	1.4
83.01346	0.9
83.04970	5.2
83.08599	3.4
84.04490	2.8
84.08112	1.3
85.02889	34.2
85.06515	1.0
86.09626	0.8
90.96449	0.7
91.05466	2.0
93.07028	1.7
95.01314	43.5
95.04925	1.4
97.02882	10.3
97.06506	1.1
99.04444	4.4
101.05997	17.7
107.04939	2.0
109.02862	13.1
109.06519	1.5
111.04427	0.8
113.02345	100.0
113.05952	1.1
114.02694	1.1
115.03882	1.6
116.01683	2.0
116.98595	1.0
119.05210	1.1
119.07032	6.0
121.02847	6.7
121.06429	0.8
121.10160	1.1
122.03161	0.9
123.08035	0.9
124.07619	0.7
125.05982	0.9
127.03900	16.0
129.05403	1.0
130.04962	1.7
131.04889	1.1
133.04967	1.8
135.04381	0.9
137.05981	3.8
137.08070	16.9
139.03926	0.9
140.33763	0.7
145.04958	3.0
145.06769	1.3
147.04381	2.1
151.03929	0.9
151.07523	1.5
162.02231	3.4
163.03836	1.0
167.06969	1.4
169.08488	0.8
177.05486	1.2
179.06976	1.6
195.10173	1.1
197.08089	1.7
215.09081	1.3
221.04416	3.2
230.08502	1.4
231.08752	1.7
231.11916	0.7
234.98994	1.5
239.05463	12.5
246.05817	1.0
246.09767	1.5
248.09483	3.3
257.06512	16.5
259.08218	1.9
265.12195	1.0
319.12985	0.8
375.11966	1.3
393.12982	5.4
393.17368	3.6
394.16486	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06708	1.0
52.96526	0.9
55.01858	1.3
56.96554	1.0
57.03404	2.4
58.76051	0.9
61.02901	2.6
61.10320	0.9
69.03416	6.8
69.35101	1.1
69.87679	6.9
70.06553	1.1
71.04959	1.3
73.02898	2.5
81.03384	3.4
82.99832	2.2
83.04971	1.3
84.08130	1.7
85.02889	16.5
86.49340	1.1
87.04486	1.4
91.05458	1.2
95.04967	1.3
97.02880	7.6
97.42490	1.1
97.67822	1.0
98.21453	1.0
98.97529	3.0
99.04436	2.1
101.00855	11.2
101.06000	1.0
103.02421	1.3
107.04928	1.1
109.02853	2.1
109.06493	1.9
111.04404	1.4
113.00829	3.3
113.03458	4.3
115.02367	1.6
115.64798	1.0
116.98600	1.3
117.75072	1.0
119.01900	32.5
119.04898	3.3
119.08633	1.0
120.01971	1.4
121.01630	3.8
121.02837	12.6
121.06475	7.5
122.06789	3.8
123.04410	1.0
127.03887	5.4
131.01884	16.2
131.05511	4.5
133.01785	1.3
133.03445	6.9
137.02919	3.7
137.05949	11.0
138.06270	1.4
138.09055	1.5
139.02454	1.4
139.09438	1.8
143.01868	49.4
145.01628	5.0
145.03432	10.9
145.04926	3.7
147.01387	1.8
147.04243	9.2
149.02930	1.7
149.06657	8.0
155.01854	18.1
155.05511	1.1
156.02637	2.3
157.03430	7.3
159.04974	3.7
161.02930	79.3
162.03085	3.5
163.02661	7.5
163.03940	4.4
165.05476	2.0
167.07036	2.1
169.03442	2.0
169.84857	1.2
169.86333	1.1
171.04976	4.9
173.02942	26.1
173.05226	2.1
173.06569	21.3
174.03212	1.4
174.98503	1.2
175.03006	1.7
175.04459	8.3
177.02437	1.0
177.04269	1.2
177.06010	3.6
179.05505	1.3
179.07018	4.2
183.04968	1.8
184.04514	3.3
185.02927	4.5
185.06569	20.2
186.06747	1.3
187.04381	2.5
187.08104	5.4
189.06088	2.8
191.07668	6.0
197.02876	2.0
197.06483	2.8
197.08078	5.5
198.98483	2.4
199.04597	1.1
199.08112	2.1
201.02428	1.4
201.06053	3.0
203.04005	10.7
203.07584	13.7
204.07802	1.2
205.03751	1.6
205.05556	2.4
205.26761	1.1
209.06480	1.6
213.06071	2.7
215.07635	10.6
216.07808	1.8
217.09201	1.5
219.01633	1.3
219.03477	1.6
219.07137	1.8
221.05003	34.0
222.05159	2.2
223.04578	4.9
223.06581	2.9
225.06059	2.1
227.07594	4.2
231.03384	1.5
231.07187	4.1
233.08591	3.7
239.06329	1.8
241.07712	2.3
242.42332	1.2
243.07120	1.6
244.04582	1.3
244.06683	4.8
244.56982	1.7
245.04942	13.2
245.57106	1.4
257.08615	5.0
259.06729	2.2
261.08105	3.1
263.06116	2.0
265.07709	3.2
273.04553	1.2
273.08130	2.4
275.09769	26.7
279.09192	4.4
283.00458	1.1
285.07822	1.5
287.09647	4.1
293.10776	62.3
294.11005	4.7
303.05414	2.9
305.10715	6.8
306.10840	1.2
307.08722	3.4
315.09192	10.2
316.09338	1.3
321.06696	1.7
321.10406	1.4
333.10327	20.8
351.10071	8.8
374.11484	1.4
375.11331	13.8
376.11435	1.7
393.12372	100.0
394.12698	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	393.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83923	0.2
53.03929	0.6
65.03919	0.9
67.01858	0.4
67.05473	0.3
68.99769	0.4
69.03422	0.4
69.07019	0.2
69.74963	1.5
71.04971	0.2
79.05494	0.3
81.03411	3.6
81.07034	0.4
85.02901	0.2
91.05467	7.3
93.07034	0.4
95.04959	0.3
95.08588	0.4
97.02888	0.5
98.20776	0.4
99.04436	2.5
105.07018	0.3
106.26250	0.2
107.08560	0.4
109.02126	0.3
109.02867	4.0
109.10110	0.3
119.04929	20.1
119.08538	0.4
120.05231	0.4
127.03906	2.9
129.06992	0.2
135.11795	0.2
141.05450	0.2
145.10094	0.3
147.04391	100.0
148.04735	2.9
148.05815	0.4
157.06499	0.3
157.10123	0.4
157.63557	0.2
169.04942	15.2
170.05186	0.3
199.18205	0.2
251.26524	0.2
254.46313	0.2
255.06570	1.5
273.07513	4.3
274.08115	0.3
315.08554	2.5
344.97211	0.2
376.11218	0.3
393.18951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41932	0.2
53.03937	0.3
55.01862	0.3
55.05481	0.2
65.03918	0.6
67.01839	0.4
67.05484	0.3
68.95937	0.2
68.99765	0.4
69.03415	0.3
71.04974	0.2
71.51793	0.4
71.52148	0.2
79.05453	0.3
81.03410	3.3
81.07023	0.4
85.02880	0.5
91.04893	0.4
91.05463	7.2
93.07027	0.7
94.14570	0.2
95.04976	0.3
95.08586	0.3
97.02872	0.4
99.04436	2.5
105.07008	0.4
107.08543	0.3
109.02865	3.6
109.06491	0.3
109.10132	0.3
118.22108	0.2
119.04920	19.6
119.08521	0.4
120.05254	0.5
121.10123	0.4
127.03904	2.6
129.06996	0.2
131.08546	0.2
133.10135	0.4
145.10080	0.3
147.04382	100.0
148.04723	2.7
153.12584	0.2
157.06499	0.4
161.13202	0.2
169.04933	16.0
170.05257	0.5
187.07484	0.2
227.07001	0.3
235.94051	0.2
255.06441	1.5
273.07507	4.6
308.09000	0.2
315.08542	2.9
321.56635	0.2
330.73666	0.2
333.10712	0.4
376.11292	0.4
393.18835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.01854	0.2
55.05499	0.4
57.01999	0.2
57.03426	0.3
65.03934	0.6
67.01849	0.4
67.05481	0.8
69.03410	0.5
69.07055	0.6
71.04971	0.5
71.62695	0.5
79.05473	0.8
80.14105	0.2
81.03401	4.0
81.07033	1.2
83.04953	0.3
85.02930	0.2
91.05466	7.2
93.07017	1.0
95.04964	0.6
95.08584	0.7
97.06509	0.2
99.04446	2.5
105.07021	0.9
107.08569	0.9
109.02856	3.7
109.10108	0.5
117.07042	0.2
117.39546	0.2
119.04923	18.2
119.08560	0.8
120.05231	0.5
121.06494	0.2
121.10111	0.5
127.03911	2.2
129.07004	0.3
131.08470	0.4
133.10112	0.6
135.08014	0.2
135.11638	0.3
143.08447	0.4
145.10141	0.5
147.04384	100.0
147.11642	0.5
148.04724	2.8
149.02252	0.3
149.09612	0.4
157.06470	0.2
159.11688	0.4
161.09654	0.3
161.13153	0.3
163.03839	0.3
169.04936	15.1
170.05226	0.5
171.11668	0.5
173.13258	0.3
181.10057	0.2
183.67255	0.2
185.05894	0.3
191.06961	0.3
197.08037	0.5
255.06516	1.8
273.07523	4.9
278.72516	0.3
315.08597	3.0
348.20294	0.2
375.14240	0.2
393.11929	0.6
393.23624	0.7
393.27942	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	393.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01846	0.3
55.05497	0.3
59.83173	0.2
65.03923	0.5
66.20166	0.2
67.01861	0.4
67.05482	0.3
68.99765	0.4
69.03392	0.4
70.05710	1.2
71.04964	0.4
76.44646	0.2
77.01696	0.2
79.05466	0.2
81.03404	3.1
81.07030	0.9
85.02876	0.4
91.05466	7.7
92.62302	0.2
93.07033	0.8
95.04962	0.4
95.08576	0.6
97.02880	0.3
98.21412	0.3
99.04424	2.4
105.07014	0.5
107.08586	0.6
109.02866	3.8
109.10130	0.4
119.04919	18.6
119.08525	0.7
120.05232	0.5
121.10091	0.5
123.04453	0.3
123.11654	0.2
127.03904	3.1
133.10110	0.4
135.11618	0.3
145.10133	0.4
147.04385	100.0
148.04721	2.7
149.09616	0.3
157.06512	0.3
159.11568	0.2
161.13235	0.2
167.12726	0.2
169.04938	15.1
170.05266	0.3
171.11719	0.2
199.76680	0.2
219.58150	0.2
242.35898	0.2
255.06454	1.5
273.07523	4.7
315.08588	2.7
377.58432	0.3
393.18707	0.8
393.23181	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01863	0.3
55.05504	0.6
57.07047	0.6
65.03917	0.6
67.01833	0.4
67.05489	0.8
68.99773	0.3
69.03405	0.7
69.07060	0.5
71.04978	0.4
71.29433	0.6
74.19954	0.3
79.05476	0.6
81.03408	3.6
81.07040	1.3
83.04957	0.3
83.08605	0.4
85.02898	0.7
85.06522	0.6
86.02891	0.2
91.05468	8.4
93.07025	0.6
95.04988	0.4
95.08570	1.3
97.02864	0.4
97.06513	0.3
99.04431	2.6
105.03363	1.1
105.07004	1.0
107.08588	1.0
109.02862	3.8
109.10137	1.6
111.08076	0.3
117.06931	0.3
119.04926	20.9
119.08583	0.7
120.05282	0.5
121.10111	0.5
123.04436	0.3
125.09622	0.7
127.03896	2.6
127.11137	0.6
131.08499	0.3
133.04849	0.2
133.10121	0.7
135.11702	0.4
145.02867	0.3
145.10114	0.6
147.04387	100.0
148.04718	2.4
149.09645	0.4
151.07503	0.3
157.06516	0.3
161.09616	0.3
161.13240	0.3
169.04944	16.3
177.16382	0.5
195.17470	0.4
213.18564	0.4
231.19492	0.5
255.06505	1.1
273.07562	4.5
315.08575	2.9
369.62122	0.3
393.18921	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83727	0.7
55.01848	1.2
61.02908	0.9
69.03412	3.4
70.06577	2.9
70.60683	1.5
70.61086	1.5
75.05505	0.7
78.08697	0.8
79.05476	3.2
81.03398	1.8
85.02898	8.8
91.05470	2.1
95.04883	0.9
95.26080	0.7
97.02879	2.3
99.04459	1.1
100.07594	3.2
103.05447	3.5
105.07020	4.1
107.04936	36.6
107.08571	1.2
109.02850	1.3
110.06020	2.6
112.07615	1.6
115.05436	2.2
117.07003	1.2
121.06518	1.3
123.04424	1.1
127.03896	2.3
128.06995	0.9
135.08047	13.5
140.06999	0.9
145.04887	1.5
145.07585	1.2
151.07507	1.0
154.06261	2.3
155.07001	1.7
163.06139	0.8
163.07516	24.3
167.07008	47.4
168.07372	1.4
169.05028	1.1
179.75966	0.9
180.07790	2.4
184.92886	1.0
195.10135	100.0
196.10458	3.0
213.11174	56.3
214.11510	2.6
230.11784	1.2
233.66899	0.8
272.11273	1.2
272.31305	1.0
368.29919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72073	4.3
57.03419	3.9
61.02898	5.7
61.75051	4.3
69.03398	17.4
71.08694	7.8
71.09038	10.2
79.19350	5.2
85.02878	26.2
93.38342	6.3
97.02859	7.4
119.01947	5.8
121.02866	12.0
127.03914	13.4
145.04941	11.1
157.03441	8.2
161.02917	6.4
163.03818	7.2
184.05840	8.2
193.06349	13.6
221.05119	8.2
223.06606	17.3
241.07663	8.6
247.74257	4.6
265.07657	26.4
393.00995	9.7
393.05698	100.0
393.11414	13.5
404.69901	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	392.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01860	1.9
55.05466	0.8
57.03400	2.2
61.02912	1.9
61.47205	1.0
65.03891	0.8
67.05490	1.4
69.03417	4.3
69.07043	1.7
69.50467	0.8
70.06573	4.8
71.04970	0.8
74.06057	4.2
79.05473	2.7
80.57771	0.8
81.03398	4.3
81.07023	1.5
83.04967	2.1
85.02882	10.4
91.05443	2.2
92.04985	2.2
93.07029	1.3
95.04946	2.3
95.08581	1.2
97.02863	3.4
97.06458	1.1
98.06061	1.0
99.04468	1.4
103.05428	3.2
105.07028	4.0
107.04936	32.8
107.08569	2.6
108.08910	0.9
109.02847	1.9
109.10112	1.1
110.06028	11.9
111.04411	1.2
112.07591	2.8
115.05390	1.4
115.07578	1.0
116.07086	2.3
119.08601	0.9
120.05704	1.0
120.08868	1.1
121.02846	10.4
123.04402	2.2
123.08010	1.2
124.05200	1.0
127.03895	3.3
129.05450	1.5
131.04916	1.6
135.08015	11.6
137.05936	1.9
140.07030	2.7
142.06819	2.1
144.00873	0.9
144.06512	1.5
144.66927	1.1
145.04900	1.4
147.04359	2.6
149.02293	2.0
149.05894	1.1
149.09622	2.0
153.05350	0.9
154.06279	1.6
163.07524	28.9
164.07878	1.1
167.07007	79.1
168.07359	1.5
176.15091	1.5
177.09088	1.1
180.07672	1.8
181.08469	2.0
184.05881	1.2
194.11864	1.0
194.16203	0.9
195.06427	1.4
195.10133	26.8
195.11853	1.8
200.69867	0.9
210.15596	0.8
212.12762	1.0
213.11179	100.0
214.11475	4.1
230.06398	1.1
230.13855	1.7
230.17499	1.2
315.13568	0.9
392.13388	2.0
392.18411	1.4
393.15009	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05487	1.6
56.05018	1.1
57.03424	14.6
57.07053	1.0
58.99578	5.7
63.39850	0.7
65.03920	1.1
70.09064	3.9
71.04954	0.8
73.01111	0.7
76.02213	45.6
76.03977	1.1
83.06089	2.5
84.04491	22.7
84.08141	3.9
85.01097	0.8
85.02885	2.2
85.06528	20.5
85.14684	0.7
86.99022	1.6
87.02673	1.5
88.02191	2.6
89.00601	1.9
91.05486	1.3
91.74825	0.9
97.02877	1.4
99.02649	5.2
99.05576	0.7
109.02867	0.8
112.03944	1.8
112.71894	0.8
113.02335	1.1
116.01659	10.7
117.03696	100.0
121.02831	5.5
125.04194	3.0
127.03930	0.9
129.06570	5.7
130.04976	13.4
136.44807	0.8
137.05940	1.2
142.03195	3.2
142.06825	6.1
143.05246	4.2
144.01143	6.4
145.04886	0.9
149.02309	2.4
150.02702	1.1
160.07883	20.3
162.02176	29.6
167.07016	1.9
170.02829	0.9
179.04822	20.3
187.05418	1.6
194.11835	0.9
228.06870	1.5
230.13834	1.4
233.05910	4.7
245.09514	92.8
246.07829	9.0
246.09978	1.6
252.05826	1.6
261.06293	0.8
263.10547	13.1
299.10663	1.2
308.09143	1.7
317.11591	13.5
329.11630	1.2
392.14810	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	391.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
53.17014	0.4
55.05260	0.5
55.05500	7.8
55.64716	0.4
57.07067	4.0
59.44514	0.4
65.03902	0.5
67.05491	11.2
69.07055	21.4
70.98493	1.0
70.98843	0.4
71.08620	2.1
79.05470	5.7
81.07038	21.2
83.08605	5.3
85.06570	0.5
88.07572	0.5
91.05453	5.6
93.07024	13.5
95.04942	1.1
95.08588	35.3
95.84081	0.4
96.08884	0.5
97.06567	0.5
97.10153	4.1
99.77186	0.4
105.07010	12.3
106.07316	0.6
107.08577	16.6
108.08897	0.5
109.06493	0.5
109.10133	22.6
111.11690	4.7
117.06985	3.0
119.08557	17.7
120.08889	0.6
121.10119	14.5
121.11003	0.7
122.10432	0.5
123.11691	8.2
125.13256	0.9
126.43247	0.4
128.06186	1.6
129.06973	2.9
131.08539	8.5
133.10104	18.0
134.10338	0.5
135.11659	7.8
137.13220	3.1
141.06979	1.3
142.07762	2.7
143.08527	16.3
144.09192	0.9
145.10092	21.3
146.10439	0.7
147.04327	0.5
147.11673	7.0
149.02321	9.8
149.13223	8.0
151.14772	0.7
154.07700	1.2
155.08522	4.6
156.09319	1.5
157.10103	14.3
158.10713	0.9
159.11665	14.8
160.12006	0.5
161.13214	5.3
163.14809	6.0
165.16367	0.6
167.03349	1.3
167.08563	0.6
168.09300	1.8
169.10089	11.5
170.10832	1.3
171.10219	0.8
171.11659	12.2
172.12360	1.1
173.11736	0.6
173.13219	10.6
174.13695	0.7
175.14787	6.0
176.24800	0.4
177.16322	4.1
179.08557	0.4
181.10103	2.0
182.10881	1.0
183.11653	14.0
184.12329	1.8
185.13214	13.1
186.13669	1.2
187.14781	19.7
188.15088	0.7
189.16357	4.3
191.17894	4.7
193.10025	0.6
195.11682	2.9
196.12378	1.2
197.13226	9.5
198.13777	0.7
199.14774	11.1
200.15213	0.6
201.16354	10.0
203.17894	3.7
207.11636	0.6
209.13228	2.6
210.13911	0.9
211.14804	6.9
212.15323	0.8
213.14308	0.9
213.16341	13.4
215.17873	5.4
217.19495	4.6
220.29712	0.4
223.14774	2.6
224.15530	1.0
225.16338	6.1
226.16957	0.5
227.17891	6.1
229.19466	4.7
231.21106	0.5
234.54272	0.5
235.14809	0.5
237.16321	6.6
238.16548	0.6
239.17902	12.9
240.18468	0.6
241.19424	6.9
243.20963	1.0
251.17908	1.9
253.19453	11.9
255.21043	4.4
265.19449	3.7
267.21051	10.6
268.21530	0.9
269.22525	2.3
277.19125	0.5
279.21002	3.8
280.21637	0.7
281.22540	7.3
283.24225	1.0
293.22495	1.5
295.24142	36.0
296.24405	2.6
297.25714	1.0
307.23914	2.0
309.25781	0.6
321.25687	11.5
322.26276	0.8
335.27090	2.4
349.28891	1.1
376.30975	0.5
391.33487	100.0
392.26294	0.5
392.33908	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	391.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05505	15.5
57.07070	10.3
65.03940	1.5
67.05494	12.7
69.07060	29.8
71.08620	9.2
76.09677	1.0
79.05473	5.4
81.07051	23.0
83.08614	16.1
85.06499	1.0
85.10174	1.9
91.05442	5.5
93.07041	10.6
95.04963	1.7
95.08030	2.2
95.08595	26.3
96.08919	1.7
97.02811	1.1
97.10173	6.6
97.10729	1.4
98.97165	1.1
98.98452	3.3
105.07026	14.9
106.07385	1.5
107.08563	13.1
109.10152	22.4
111.11695	5.5
113.05974	1.5
117.06977	3.6
119.08557	13.7
121.10120	13.4
123.11684	9.5
125.13266	3.6
128.06261	1.8
129.06999	2.5
131.08548	10.5
133.10115	11.3
135.11678	7.2
137.13272	6.4
141.06941	2.6
142.07764	2.1
143.08554	17.0
144.09305	2.2
145.10107	41.9
146.10422	1.3
147.11676	6.6
149.02339	30.0
149.13235	7.6
150.02629	1.8
151.14821	1.6
155.01027	4.1
155.08531	8.6
156.09271	2.1
157.10104	18.8
158.10895	1.9
159.11690	24.4
161.13182	5.6
163.14835	7.2
165.16380	2.9
167.03409	2.9
169.10104	19.7
170.10782	1.7
171.11676	18.5
172.12012	1.8
173.13263	12.7
175.14827	2.9
177.16344	6.6
179.17914	1.3
181.10051	2.3
182.10728	1.7
183.11700	14.3
184.07404	1.6
185.13277	8.3
187.14793	10.5
189.16406	4.3
191.17851	3.0
195.11649	3.5
197.13229	9.6
199.14784	10.0
201.16341	26.7
202.16768	1.8
203.17961	3.6
209.13269	3.6
210.13809	1.2
211.14799	5.2
213.16364	8.7
215.17963	4.3
223.14801	1.8
225.16434	4.4
227.17958	4.9
229.19508	1.4
237.16476	5.9
239.17923	66.5
240.18291	3.9
241.19485	68.4
242.19838	3.4
251.18036	2.3
253.19485	18.2
255.21060	3.7
265.19644	3.5
267.21014	12.7
269.22696	1.4
279.21036	3.7
281.22653	5.0
283.24319	1.3
293.22699	2.9
295.24170	12.1
307.24231	3.1
321.25818	4.2
391.33557	100.0
392.33847	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	390.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.2
53.03931	0.5
69.03408	0.8
70.38477	0.4
70.38874	0.7
81.03399	0.3
82.19523	0.3
84.08116	0.3
85.02878	1.0
90.75829	0.3
91.05463	2.2
93.07028	4.1
95.04942	1.0
97.02853	0.6
103.05463	2.7
103.14305	0.2
105.04514	0.3
119.01881	0.4
121.06480	100.0
122.06812	2.5
131.85287	0.2
138.09113	36.4
139.09421	0.8
143.01840	0.5
157.03372	0.3
161.02887	0.7
163.03835	0.6
193.02960	0.2
203.04041	0.3
219.07797	0.4
221.05133	0.3
234.78191	0.3
245.58676	0.3
264.11346	0.4
265.07251	0.3
293.10757	0.3
390.13541	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05498	2.8
57.07069	1.1
59.04990	0.9
59.51650	0.4
61.08366	0.4
67.05500	4.5
68.05866	0.4
69.03410	1.3
69.07055	2.2
70.11227	2.2
71.04985	4.0
72.07033	0.4
79.05473	2.2
81.03415	0.8
81.07055	4.0
83.04978	1.5
83.08610	1.6
85.02904	3.4
85.06530	7.7
91.05475	1.2
93.07041	6.7
95.04977	1.2
95.08597	5.6
97.02874	0.9
97.06519	0.5
99.08081	72.6
100.08424	1.1
105.07018	2.4
107.08582	8.0
109.02842	0.4
109.06514	1.3
109.10137	12.3
119.08566	3.4
121.10134	5.7
123.04379	0.6
123.08064	1.2
123.11706	3.7
125.09603	1.2
127.03934	0.9
131.08633	0.5
133.10117	26.6
134.10452	0.8
135.11678	9.7
137.09586	5.0
143.10664	1.1
145.04962	0.9
147.11679	1.1
149.02324	0.8
149.13271	0.7
151.11131	2.1
152.04248	0.5
154.81012	0.4
165.16373	0.6
167.07021	0.7
169.53958	0.4
175.14825	9.3
177.16367	8.4
193.15857	100.0
194.16162	2.8
210.18405	0.5
211.16920	3.0
229.17921	0.7
273.42236	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88711	0.5
51.02360	0.7
53.03936	3.4
55.01878	0.6
55.05481	0.5
57.03414	1.2
61.02934	0.6
67.05498	0.9
69.03420	6.9
69.07071	0.7
71.04974	2.0
71.46893	1.0
79.05482	6.0
81.03402	11.0
81.07033	1.8
83.04987	0.8
85.02417	1.0
85.02892	13.3
85.06535	0.9
91.05501	0.8
93.07040	1.3
95.04957	5.2
95.08583	1.4
96.05307	0.8
96.08906	0.7
97.02871	7.0
99.04430	4.4
105.03374	100.0
105.06973	1.3
106.03726	1.7
107.08565	2.4
108.08907	1.0
109.02864	9.4
109.06512	1.3
109.10135	1.0
110.06866	0.7
110.10498	0.5
110.12726	0.5
111.07993	0.6
119.08538	1.0
121.02878	3.8
121.10088	0.7
123.04406	14.7
123.08074	0.6
123.11701	0.6
127.03905	8.2
133.10083	1.2
134.10457	1.6
135.07990	0.7
137.05960	1.4
139.03844	0.7
145.04916	2.7
148.11990	0.9
151.11154	1.2
174.13625	1.3
191.14302	1.1
192.14644	2.2
193.12303	0.7
193.15968	0.6
209.15388	1.9
210.15741	3.7
215.48013	0.6
227.16391	2.4
228.16776	3.7
231.06500	1.7
236.16382	1.2
245.02066	0.6
249.07542	22.6
250.07968	0.6
267.08588	44.2
268.08963	1.4
283.08017	1.3
298.41965	0.6
303.93140	0.6
364.27014	0.6
399.33459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17364	1.4
55.01863	3.2
61.02908	2.6
69.03419	4.0
69.79028	8.7
79.05480	3.5
81.03410	2.3
81.07053	1.2
85.02895	13.5
91.05470	4.0
95.04959	2.4
97.02856	2.1
98.20720	1.7
99.49378	1.2
103.05457	5.1
105.07013	46.5
107.04916	2.7
109.06474	2.9
115.04763	1.1
115.05424	6.3
118.04141	2.4
119.04916	5.7
127.03931	2.7
133.06464	48.2
134.10435	1.6
143.04903	1.4
143.06038	3.2
149.05988	2.7
151.07523	3.5
161.05951	100.0
162.06302	2.5
165.56738	1.2
167.07048	1.7
168.07843	1.9
179.07065	2.3
180.08641	3.1
181.08669	1.2
185.68500	1.1
193.08580	84.5
196.07263	2.7
197.07938	1.3
210.15666	3.3
211.09595	16.9
228.06639	1.4
228.12302	2.9
228.16795	1.7
247.08159	1.2
384.93411	1.2
390.17929	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	390.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98295	0.9
53.03922	2.8
55.05497	1.2
57.03419	1.4
64.18532	1.0
64.22642	0.9
67.05507	1.5
68.79526	1.0
69.03415	6.5
69.07060	1.2
70.06566	1.9
70.11236	1.7
70.11639	4.4
71.04967	2.1
71.51137	0.9
72.08094	1.1
73.02888	2.5
75.42932	1.2
79.05469	3.6
81.03397	4.8
81.07036	4.5
82.07345	1.4
83.04989	2.2
85.02872	9.6
85.06528	1.7
86.09726	1.5
86.47285	1.1
87.04431	1.2
89.27734	1.0
91.05460	3.4
92.05776	1.5
93.07030	4.5
94.07357	1.6
95.01295	3.0
95.04951	6.7
95.08578	3.0
96.08894	1.1
97.02866	3.8
97.06494	2.0
98.21410	1.2
99.04452	2.5
99.08043	1.2
105.03374	100.0
105.07009	3.6
106.03693	1.9
107.04923	2.7
107.08579	3.6
108.08875	1.1
108.17757	1.1
109.02878	2.8
109.10127	3.0
110.10455	2.3
111.04408	1.8
113.02328	3.5
119.08538	2.6
120.08897	1.3
121.10106	5.5
122.10464	3.9
123.04438	5.5
123.08008	1.9
123.11654	4.3
124.07581	1.7
124.08395	1.3
124.12023	4.2
125.09618	2.3
127.03884	3.2
131.03380	1.3
131.08542	1.9
133.10132	2.5
134.10440	1.7
135.08026	1.9
141.01802	4.8
147.04388	1.4
147.11609	1.4
148.11974	2.3
149.09593	3.3
150.09926	2.0
151.03783	1.4
151.11165	2.1
153.09050	2.0
161.05954	4.4
161.09540	2.1
163.07539	1.2
167.06992	2.1
167.10674	3.8
168.10976	3.3
168.12332	1.0
172.59366	1.1
173.13206	1.2
179.03430	2.5
179.07002	26.9
181.04852	1.2
189.09071	2.9
191.14284	1.9
192.14627	2.6
193.08580	1.9
193.12160	1.4
197.08061	34.0
207.10184	2.4
208.14168	1.4
209.15350	3.2
210.15707	6.7
211.09468	1.4
227.16348	3.5
228.16788	8.8
249.07545	4.9
278.32983	1.3
343.78949	1.0
412.52548	1.2
412.94434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.6
51.68110	0.4
53.03922	1.3
54.05022	0.5
55.01831	0.5
55.05498	1.5
55.31715	0.4
57.03411	1.5
67.05490	1.5
68.05848	0.5
69.03408	3.1
69.07047	0.9
70.06580	1.3
71.01334	0.6
71.04952	0.6
71.62351	0.8
73.02881	1.3
74.91227	0.4
77.03913	1.0
79.05476	2.8
80.05807	0.6
80.27628	0.4
81.03403	0.6
81.07041	1.6
83.04951	1.4
83.08587	0.5
84.05308	0.4
85.02890	6.9
85.06523	1.2
86.03199	0.5
86.06867	0.6
89.94952	0.4
91.05482	1.1
91.95674	0.4
92.05796	0.6
93.07005	2.1
94.07365	0.8
95.01320	2.8
95.04945	4.7
95.08591	5.0
96.08918	2.6
97.02870	1.0
97.09306	0.4
97.10143	0.5
99.00791	0.9
99.08077	1.1
103.03902	1.1
103.05463	0.5
105.03369	100.0
105.07003	6.6
106.03692	2.6
107.04932	0.7
107.08576	2.8
108.08923	1.6
109.02859	1.1
109.06490	1.1
109.10117	1.4
110.10464	0.9
111.08080	1.1
111.69945	0.5
113.02346	2.4
114.06306	0.4
115.05402	0.9
119.08553	1.2
121.10107	1.9
122.10474	1.3
123.04423	3.9
123.08044	1.9
123.11692	0.8
124.08395	0.5
124.12016	0.7
125.05988	0.5
125.09600	5.6
126.09945	3.6
127.03896	0.8
131.03369	1.2
131.04875	0.5
131.08553	0.5
133.06456	6.2
133.10085	1.9
134.10429	1.3
135.08006	0.7
135.11690	0.9
136.08348	0.7
136.11980	0.5
137.05885	0.4
138.09926	0.7
141.01807	6.7
147.11646	0.7
148.04660	0.5
148.12009	0.6
149.05994	0.7
149.09590	7.5
149.13191	0.5
150.09932	7.3
150.13589	0.5
151.11169	1.2
152.11517	1.4
153.05457	0.6
153.09076	1.8
154.09428	1.4
155.10626	0.7
159.02856	1.2
161.05956	12.5
163.14786	1.4
164.15172	0.7
166.12935	0.5
167.07010	1.0
173.13312	0.6
174.13609	0.8
175.14734	0.7
177.05475	0.7
179.06996	28.6
180.07401	0.7
189.09106	0.4
191.14304	1.9
191.65392	0.5
192.14647	4.4
193.08562	8.1
193.15703	0.6
197.08055	38.0
198.08444	1.2
207.10199	0.8
207.13826	0.7
208.14096	1.6
209.15431	6.8
210.15718	13.9
211.16812	0.4
227.16212	0.5
228.10217	0.8
228.16667	2.1
249.07526	1.0
262.76019	0.4
337.09012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03936	3.3
55.01864	1.2
56.96559	0.5
57.03413	2.1
57.21352	0.5
61.02908	1.1
63.86191	0.5
65.83901	0.5
69.03416	14.9
69.19433	0.5
69.88693	0.5
70.06577	0.8
70.95596	0.8
70.95919	1.2
71.04970	1.6
71.57897	0.5
73.02910	1.4
74.06079	0.8
78.03442	9.5
79.05470	0.8
80.04991	2.3
81.03402	19.4
81.07027	0.8
84.04488	0.7
84.08126	1.0
85.02888	14.4
86.09668	1.0
87.04447	1.9
91.05443	1.3
93.06983	0.7
94.06544	1.5
95.04937	1.3
95.08585	1.1
96.04464	4.1
97.02872	7.8
98.97582	1.4
99.04444	4.2
102.41187	0.5
105.05455	0.6
105.07013	2.4
106.02895	57.4
107.03235	0.8
107.04946	1.0
109.02861	12.8
109.06488	1.0
110.06049	0.6
112.07610	0.6
116.75288	0.5
116.98628	0.9
119.04897	0.5
119.08533	1.1
121.02814	0.8
121.06629	0.5
122.06001	4.5
123.04402	1.1
124.03928	100.0
125.04290	1.3
127.03897	8.4
128.98592	0.7
133.06470	2.7
133.10097	0.6
136.07582	0.7
137.05952	0.8
140.07040	10.7
142.08627	1.3
145.04924	1.4
147.04362	1.2
154.08582	2.7
161.05946	4.0
163.03915	0.9
164.10687	0.7
165.05438	1.3
165.09041	0.7
166.05022	1.6
167.06984	2.5
175.07507	0.8
179.06995	0.6
180.07797	2.6
193.04984	0.6
193.08585	4.4
194.09381	0.6
203.04866	0.6
210.11212	1.6
228.08632	0.9
228.12236	18.5
228.16095	0.7
229.06068	0.7
232.06059	3.9
250.07071	22.9
251.07336	0.7
268.08105	60.0
269.08374	1.9
277.04758	0.6
390.13788	13.1
391.14651	0.6
391.19370	1.3
397.96698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2164
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03933	1.9
55.05503	5.4
57.03428	2.0
67.05486	2.3
69.03423	5.8
69.07056	4.6
70.77348	3.8
71.04974	3.6
79.05473	2.7
81.03403	1.8
81.07035	6.7
83.01313	3.8
83.04958	3.9
83.08604	1.3
85.02894	12.5
85.06521	2.3
91.05465	2.8
93.07034	7.9
95.04942	4.6
95.08559	6.0
97.02885	4.1
97.06498	3.7
99.04420	3.3
99.08083	13.1
101.05994	4.4
103.83849	1.1
105.07015	4.7
107.08580	12.4
109.02917	1.2
109.06521	2.8
109.10127	7.0
111.08061	4.1
119.08543	3.0
119.70972	1.1
121.06511	1.8
121.10119	15.3
123.07996	2.5
123.11681	4.3
123.98262	1.2
125.05981	1.5
125.09621	6.8
127.03902	3.0
127.11166	3.3
131.08560	2.1
133.10117	17.7
135.08025	4.7
135.11664	4.7
137.09590	4.4
137.13263	2.5
139.07504	4.8
139.11160	3.9
145.04973	1.5
145.10075	2.3
147.11641	1.7
148.12613	1.2
149.09590	20.5
149.13246	5.4
151.11168	5.1
153.09122	7.1
158.10866	1.5
160.65306	1.1
163.14792	8.2
165.12650	1.4
167.10564	1.2
173.13249	11.0
181.15813	3.1
191.14273	22.7
198.49698	1.4
209.15340	100.0
210.15652	3.9
227.16402	32.0
268.03741	1.1
276.43201	1.3
389.13580	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2163
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03943	2.3
55.01859	2.1
55.05505	14.8
57.03423	3.7
57.07067	2.2
59.04985	2.1
61.02909	3.2
62.44534	1.1
63.66830	1.0
67.05482	5.1
69.03427	10.5
69.07058	8.2
69.63348	9.0
69.63688	1.5
69.81590	1.1
71.04965	4.1
79.03929	1.4
79.05464	2.6
81.03410	3.4
81.07048	11.5
83.04477	1.8
83.04971	32.6
83.08590	8.0
85.02890	22.9
85.06538	6.2
87.04443	1.9
91.05442	1.1
93.07026	4.7
95.04972	2.1
95.08595	4.8
97.02905	6.5
97.06499	2.5
97.10151	4.1
98.20734	2.1
99.04416	2.0
99.08092	2.0
105.07004	2.9
107.08585	17.3
109.02898	2.1
109.06496	2.8
109.10144	35.7
111.08060	1.9
113.05963	3.6
113.09590	1.5
119.08593	1.7
121.10131	5.4
123.08059	1.4
123.11687	19.4
125.09589	10.9
127.03897	3.4
127.07527	2.1
127.11192	4.2
133.10118	10.2
135.11687	1.6
137.05946	2.1
137.09595	2.1
138.06212	1.3
145.04953	3.4
147.11665	1.5
149.09604	2.6
149.13240	4.1
151.10118	1.6
151.11191	18.9
167.14291	28.9
169.12216	92.0
170.12576	2.4
173.13222	5.1
173.14529	1.2
178.05585	1.2
191.14348	5.6
209.15337	100.0
210.15689	5.4
218.54907	1.2
227.16393	40.8
228.16666	1.6
289.86841	1.1
382.74451	1.1
396.48969	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2162
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.03930	1.7
55.05501	2.0
55.69717	1.3
57.03408	1.4
57.07058	2.3
58.44381	1.4
60.66215	1.1
61.02911	3.1
65.03912	1.5
67.05490	7.3
69.03423	7.3
69.07041	2.3
70.68118	4.0
70.68481	1.4
71.04976	11.7
73.02917	4.0
79.05462	1.5
81.03402	3.7
81.07061	10.6
85.02892	25.1
85.06532	10.1
87.04447	1.5
91.03928	1.4
91.05445	4.0
93.07034	14.1
95.04958	83.5
95.08575	6.5
96.05286	2.1
97.02861	7.3
97.06534	6.4
99.04445	25.1
99.08076	11.8
105.07023	12.2
107.08584	20.0
109.02852	2.5
109.06520	3.8
109.10140	44.7
111.08102	2.5
113.09531	1.6
115.07568	7.3
117.07047	1.7
119.08551	5.3
121.02847	5.4
121.10106	7.2
123.11703	18.0
125.09614	2.9
127.03905	4.3
127.07537	3.9
127.11200	1.7
131.08539	9.4
133.10115	82.7
135.08022	3.9
139.11156	7.3
139.22559	1.6
140.04666	5.0
143.08568	1.3
145.04958	3.9
147.11603	1.8
149.09564	2.1
149.13240	6.6
151.11143	18.8
153.09081	39.9
155.07016	7.9
158.10889	4.2
161.05916	1.4
163.14745	3.2
169.12236	13.7
173.13240	28.6
181.04968	9.6
184.93671	1.4
191.14276	48.7
209.07959	1.6
209.15329	100.0
210.15718	4.2
227.09100	14.7
227.16391	13.5
288.80865	1.3
302.57544	1.4
389.17691	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	389.2167
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
55.05494	4.4
57.03417	1.1
61.02913	1.5
69.03416	3.7
69.07047	3.3
71.04990	1.3
71.53872	1.6
79.05467	2.6
81.03400	2.9
81.07057	2.9
83.01331	4.0
83.04978	3.7
83.08601	1.9
85.02905	9.9
85.06512	3.5
88.37148	1.0
91.05489	1.4
93.07040	4.7
95.04939	1.9
95.08589	4.4
97.02882	4.0
97.06509	4.0
99.04458	3.0
99.08086	17.1
101.06031	6.6
104.80594	1.2
105.07024	3.8
107.08578	8.7
109.02869	1.7
109.06512	2.7
109.10137	7.7
111.08087	4.0
116.49100	1.1
119.08573	2.2
121.06535	1.2
121.10127	12.1
123.08076	1.5
123.11687	1.8
125.09606	5.9
127.03957	2.8
131.08588	2.2
133.10104	12.5
135.08051	4.1
135.11644	2.9
137.09627	3.5
137.13196	1.3
139.07503	2.8
139.11134	2.7
145.04910	1.4
145.10213	1.5
147.04353	2.3
147.11749	1.6
149.09621	15.3
149.13271	4.8
151.11169	7.4
151.46439	1.1
153.09081	3.6
153.94400	1.2
163.14825	4.6
167.06989	2.8
167.10687	1.3
173.13254	6.1
181.15869	2.7
191.14311	15.7
193.15869	1.7
209.15347	100.0
210.15714	3.5
227.16383	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	389.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
54.40169	0.3
55.01864	0.9
55.05501	0.7
56.26022	0.2
57.03420	0.5
59.04966	0.3
65.03932	2.6
67.05492	0.8
69.03428	1.3
69.07089	0.7
71.04984	0.9
71.61968	0.3
79.05486	1.2
81.03405	2.0
81.07048	1.9
83.04968	0.6
85.02902	1.9
85.06520	0.8
91.05467	100.0
92.05801	1.6
92.10318	0.3
93.03374	0.5
93.07034	1.9
95.04935	1.8
95.08586	1.1
97.02879	0.8
97.06525	0.7
99.04441	1.5
99.08084	0.4
100.14047	0.3
103.03923	0.3
103.05441	0.4
105.01852	0.3
105.03374	1.4
105.07008	2.4
106.03676	0.4
107.08582	3.6
109.02866	0.9
109.06524	1.0
109.10152	1.4
111.04509	0.3
111.08072	0.6
119.08540	1.2
121.06502	0.7
121.10126	1.9
123.04498	0.3
123.08081	0.8
123.11704	0.6
125.09625	0.5
127.03898	1.0
129.07018	0.7
131.04938	0.9
131.08511	0.5
131.23497	0.3
133.06520	0.5
133.10095	2.8
135.08052	0.4
135.11664	0.8
137.02281	0.4
137.05981	0.7
137.09558	0.5
139.03883	0.3
139.07561	0.3
139.11171	0.4
145.10106	1.2
147.11667	0.6
149.02319	1.8
149.06038	1.2
149.09541	0.6
149.13203	0.5
151.07530	0.5
151.11182	0.7
153.09106	0.5
157.06604	0.3
159.08073	0.3
161.02388	0.5
161.09599	1.1
161.13177	0.5
163.03856	0.3
163.07564	0.6
163.11133	2.4
163.14865	0.4
163.49007	0.3
165.06955	0.4
167.03368	4.3
167.07042	0.4
167.10646	0.6
169.08595	3.2
169.09956	0.5
173.05928	0.3
173.13242	1.1
175.03905	0.8
179.03394	0.6
179.10638	0.5
179.14238	1.7
181.12260	0.7
183.08098	0.4
189.08992	0.3
191.03409	1.1
191.10649	1.1
191.14285	1.8
203.03416	1.2
209.11681	1.1
209.15335	2.6
215.03378	0.9
221.04420	0.8
227.06979	0.6
227.12767	2.3
227.16328	1.2
233.04420	2.0
239.06992	2.5
245.04478	1.7
251.07085	1.2
257.08078	3.4
263.05490	0.9
265.08643	0.5
269.08160	0.8
281.06644	0.8
282.95135	0.2
285.07928	0.3
293.08029	5.7
294.08661	0.3
299.07489	0.4
305.08099	0.5
311.09097	4.3
317.07965	0.6
323.09073	7.5
335.09103	3.8
341.10135	0.5
353.10123	7.5
353.14551	0.5
354.10901	0.3
371.11127	2.9
371.15906	0.4
371.21600	0.3
389.12125	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	389.2163
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03922	0.8
55.05496	4.4
57.03430	1.0
57.07053	1.1
59.04997	0.8
61.02900	1.4
61.08557	0.7
67.05478	2.8
69.03424	6.7
69.07054	5.0
69.43127	4.8
69.43559	2.2
71.04974	2.2
71.17596	0.6
72.29263	0.7
79.05480	2.5
81.03396	2.9
81.07047	5.2
83.01331	4.9
83.04955	6.0
83.08611	1.7
85.02422	0.9
85.02894	12.8
85.06538	4.3
88.75510	0.7
91.05462	3.1
93.07023	5.9
95.04950	4.4
95.08605	4.7
97.02895	4.5
97.06516	5.6
97.10162	1.2
99.04439	4.8
99.08080	15.7
101.05986	4.8
104.55562	0.7
105.03389	6.8
105.06982	4.1
107.04921	1.3
107.08582	11.6
109.02850	2.4
109.06506	4.1
109.10135	7.4
111.00362	0.8
111.08059	4.5
113.09633	0.7
115.07536	1.1
119.08581	3.8
119.54622	0.7
121.06491	1.6
121.10128	12.4
122.03155	0.9
123.04397	1.3
123.08063	2.7
123.11697	2.4
125.05962	1.0
125.09601	7.2
127.03886	3.1
127.07517	1.3
131.08524	2.3
133.10110	15.3
134.10487	1.0
135.08043	3.5
135.11635	2.7
137.05959	1.1
137.09612	4.4
137.13255	1.4
139.07529	4.2
139.11156	3.6
145.04897	1.3
145.10109	1.5
147.04427	0.8
147.11617	2.1
149.09607	13.1
149.13252	4.8
151.11157	5.5
153.09082	5.6
155.10631	1.1
161.09518	0.9
163.14798	5.5
165.09048	1.0
165.12653	1.3
167.07033	1.4
169.12148	1.1
171.10149	1.0
173.13229	7.8
177.28349	0.7
181.15858	2.6
191.14264	16.1
194.63611	0.7
209.15335	100.0
210.15616	3.2
227.12912	0.8
227.16414	17.9
228.16766	1.0
249.07523	2.7
265.09601	0.8
267.08624	2.5
283.10922	0.7
293.09106	0.7
297.08380	1.1
389.13394	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	388.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.01847	1.7
55.05482	1.7
56.89158	0.4
57.03415	1.1
57.07062	2.0
57.95858	0.5
59.04973	0.6
65.03919	1.7
67.05499	3.1
69.03406	1.9
69.07057	5.4
69.79546	2.5
71.04970	1.6
79.05455	3.0
81.03394	1.1
81.07037	11.2
83.04969	0.7
83.08607	1.7
85.02888	4.4
85.06520	1.5
91.05461	34.4
93.03363	0.6
93.07021	6.6
95.04951	2.8
95.08574	5.2
97.02863	1.2
97.06516	5.1
97.35439	0.4
98.06845	0.8
98.21442	0.9
99.04431	0.5
99.08038	0.5
103.05457	0.5
105.07004	4.0
107.08564	10.0
108.05724	0.6
109.02872	0.7
109.06496	11.1
109.10136	6.1
111.04404	1.4
112.04749	0.5
115.05421	0.7
117.06973	1.2
119.04869	0.6
119.08562	2.4
121.06465	1.6
121.10114	10.6
123.04409	7.2
123.08025	7.1
123.11679	37.3
124.04706	1.8
124.12027	0.8
127.03865	1.1
131.04880	0.9
131.08546	3.4
133.10101	18.8
134.10416	0.7
135.08034	6.7
135.11658	2.6
136.97752	0.5
137.05923	3.9
137.09627	0.9
137.13203	1.0
138.06264	1.7
139.03871	33.0
139.07463	1.0
139.11256	0.7
140.04210	15.6
142.66582	0.5
143.08569	0.6
145.06421	1.1
145.10095	1.9
146.06876	1.0
147.04407	2.4
147.11646	1.7
149.02414	0.6
149.05934	2.0
149.09598	1.3
149.13245	1.9
150.06305	1.3
151.03862	2.0
151.11121	0.5
153.08978	1.2
154.11603	0.5
158.10887	1.6
160.05080	0.7
161.06021	2.5
162.06303	1.4
163.03867	8.6
163.07486	0.7
163.11127	0.8
163.14781	4.6
164.04190	6.3
165.05429	1.1
165.09016	1.0
167.03415	1.2
167.07008	2.0
168.07405	0.6
169.08618	0.7
173.05960	1.4
173.09618	0.6
173.13234	12.4
175.07484	0.6
176.07829	1.6
177.05472	2.5
179.03392	0.7
179.06920	0.6
181.04901	1.0
182.05324	0.8
188.07880	0.6
189.09082	2.1
190.09393	2.1
191.03371	0.6
191.06946	1.2
191.14265	100.0
192.10960	1.5
192.14578	4.0
193.08519	3.0
194.08932	0.8
201.08913	0.8
202.09427	1.9
204.11024	0.7
206.08847	0.5
207.06425	0.7
209.12022	0.5
209.15331	9.0
216.10947	0.7
217.08647	0.6
219.10085	5.1
220.10480	6.4
221.75787	0.5
227.12669	0.6
227.16348	3.3
227.19836	0.5
232.10461	0.9
233.04410	1.0
239.06929	0.7
243.10126	0.8
244.10275	1.4
257.08047	1.0
262.11572	1.2
267.69943	0.5
285.63403	0.5
293.07901	1.4
311.09140	1.0
322.08212	0.5
323.08929	2.6
326.11154	0.9
335.09109	1.1
344.12289	0.5
345.12985	1.2
352.12299	0.8
353.10330	2.4
370.13910	0.8
371.11002	0.8
371.15182	0.8
388.14600	2.3
388.25500	1.1
389.11609	0.7
389.15945	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01846	1.1
55.05506	1.2
57.07063	2.7
61.02934	1.1
63.62107	1.0
64.33386	1.1
67.05482	3.6
69.03430	2.4
69.07057	1.5
70.75916	1.3
70.76222	2.3
71.04988	5.9
73.52962	1.0
79.05490	4.1
79.70773	1.1
81.07059	4.4
82.18994	1.0
83.04971	1.4
85.02903	6.5
85.06538	3.2
91.05474	4.5
93.07037	5.6
95.04959	4.8
95.08598	5.3
97.02907	2.4
97.06527	3.3
99.04463	1.6
103.27509	1.1
105.07022	8.0
107.08591	8.7
109.06510	100.0
109.10146	23.0
109.10891	1.1
110.06848	2.4
110.10448	1.3
111.08077	2.4
111.61028	1.0
117.06992	1.8
119.08549	2.7
121.06541	1.4
121.10134	4.5
123.04395	1.4
123.08054	8.6
131.08560	13.7
133.10123	30.6
135.08047	36.2
135.11661	1.7
136.08438	1.2
137.05946	2.9
139.03880	23.8
140.04214	12.8
143.08542	1.7
145.04929	2.1
145.10101	3.7
147.11708	2.6
149.06042	1.4
149.09599	3.0
149.13292	1.7
151.03769	1.2
153.09084	3.8
158.10934	2.1
163.03862	2.5
164.04205	1.4
167.06937	1.3
173.13268	28.8
174.13577	1.3
177.05470	7.7
191.14288	87.6
192.14613	2.5
209.15346	76.1
210.15689	3.7
219.10121	1.3
220.10541	2.2
244.10461	1.6
276.81976	1.1
321.86588	1.2
390.31018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05500	1.4
56.14420	0.7
57.07063	1.4
65.03919	0.9
67.05492	3.2
69.03416	0.9
69.06754	0.7
69.07059	6.1
70.96215	1.8
71.04988	11.0
76.78036	0.7
79.05495	5.2
81.03416	1.3
81.07050	8.1
83.04950	0.9
83.08609	2.3
85.02898	3.0
85.06547	6.9
91.05459	5.3
93.07035	10.0
95.04947	3.0
95.08597	8.8
97.02867	0.9
97.06524	14.5
98.06822	1.0
99.00542	0.7
105.07018	12.1
107.08584	21.0
109.06503	6.0
109.10117	4.8
111.04422	0.9
111.08076	2.7
117.06998	2.1
118.97061	0.7
119.08567	8.6
121.10134	22.5
121.11008	1.1
123.04427	5.1
123.08037	3.8
123.11672	2.3
131.08560	10.8
133.10120	86.8
134.10423	2.4
135.08043	10.6
135.11707	1.8
135.25684	0.7
137.05930	2.8
137.09566	0.8
138.06311	1.4
139.03908	7.5
140.04221	4.6
143.08517	1.4
144.09317	0.8
145.10130	4.5
147.04417	1.1
147.11681	14.6
149.09625	1.9
149.13240	11.5
151.03891	1.9
158.10878	2.6
161.05888	1.1
163.11131	1.4
163.14810	20.1
173.13258	29.3
174.13565	1.5
175.07552	0.8
181.05026	0.8
191.14293	100.0
192.14615	4.6
193.08615	1.0
199.11034	0.7
199.60547	0.9
209.15343	2.9
219.10092	3.3
220.10466	3.1
221.91159	0.7
235.07947	1.1
359.14636	0.9
388.14655	1.2
389.15723	1.9
395.45343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.9
55.01847	2.6
55.05483	3.0
57.07064	2.0
65.03942	2.2
67.05496	4.3
69.03440	1.9
69.07054	5.3
70.95966	1.9
70.96342	5.7
71.04986	12.8
79.05476	5.8
81.07054	4.3
83.04980	2.5
83.08623	2.1
85.02895	4.6
85.06521	6.9
91.05466	5.8
93.07022	14.3
95.04961	3.6
95.08580	12.0
97.02815	1.9
97.06516	36.5
98.06859	8.2
105.07030	11.1
107.08585	23.5
109.06506	6.6
109.10125	2.9
111.04428	2.7
111.08067	4.9
113.79305	1.6
117.06993	2.6
119.08573	7.2
121.10130	33.7
123.04414	11.0
123.08071	3.5
124.04753	2.9
129.06975	2.1
131.08511	12.0
133.10114	89.1
134.10471	2.9
135.08060	14.7
135.11697	1.8
137.05934	4.9
139.03880	58.7
140.04208	27.4
143.08568	2.0
145.10059	4.1
147.08090	1.9
147.11664	15.1
149.13239	15.8
158.10782	2.1
163.03923	3.8
163.11217	2.6
163.14772	5.2
164.04279	3.5
173.13243	29.9
175.07495	3.0
181.04880	1.8
191.14275	100.0
192.14656	4.4
195.99365	1.8
201.09044	6.5
202.09396	13.5
209.15320	4.0
219.10156	14.3
220.10490	27.5
226.18167	4.3
243.53302	1.8
281.12335	1.6
308.79437	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82899	1.1
51.06483	1.1
57.98866	1.1
59.06362	1.2
67.05463	1.2
69.03069	2.2
69.03419	34.1
69.07059	2.3
70.95917	1.3
70.96249	2.2
71.04961	1.4
81.07050	2.4
83.04966	3.7
85.02869	7.4
85.06513	1.7
91.05454	7.9
93.07018	2.5
95.08595	6.1
97.02857	2.1
97.06522	2.7
105.07009	2.7
107.08578	9.0
109.06504	2.9
109.10117	1.3
111.08086	2.2
119.08575	2.5
121.10124	8.8
123.11691	4.6
125.09621	17.8
126.09882	1.1
131.08536	4.6
133.10115	2.7
135.08025	8.6
135.11658	4.0
145.10124	2.2
147.11720	1.6
149.09564	2.9
149.13286	2.4
153.09088	5.3
158.10881	2.0
163.11162	1.8
163.14796	5.6
165.12718	2.9
173.13213	15.5
191.14267	66.2
192.14661	1.7
209.15327	100.0
210.15665	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	388.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68084	0.3
53.03933	0.8
55.01844	1.5
55.05494	1.3
57.03408	0.4
57.07049	0.8
59.04975	0.5
65.03906	1.0
67.05503	2.4
69.03399	1.4
69.06709	0.5
69.07056	4.5
70.08460	0.8
70.08881	1.4
71.04967	0.9
79.05464	1.8
81.03403	0.9
81.07044	10.7
83.04958	0.6
83.08593	1.5
85.02905	3.5
85.06515	1.8
90.50262	0.5
91.05469	25.5
93.03394	0.4
93.07032	4.6
95.04939	1.7
95.08598	4.4
97.02870	0.9
97.06519	4.1
98.06860	0.5
98.66132	0.4
99.04421	0.6
103.05482	0.6
105.07011	4.3
107.08575	7.3
109.02888	0.7
109.06497	6.2
109.10155	5.5
111.04436	1.1
111.08070	0.5
117.07035	0.7
119.04900	0.4
119.08581	2.2
121.06490	1.4
121.10132	9.5
122.03705	0.4
123.04418	5.8
123.08043	5.0
123.11692	32.7
123.58201	0.4
124.12008	0.9
125.99525	0.5
127.03899	0.9
131.04880	0.8
131.08554	4.7
133.09094	0.8
133.10115	16.4
134.10472	0.5
135.04337	0.5
135.08034	5.6
135.11700	2.7
137.05956	3.3
137.09575	1.0
137.13251	1.3
138.06300	0.9
139.03883	22.4
139.11153	0.5
140.03125	0.6
140.04211	10.3
145.04953	0.5
145.10057	1.8
147.04385	1.9
147.11627	0.4
149.05931	0.8
149.09596	1.3
149.13225	1.1
150.06340	0.8
151.03862	2.8
153.09100	0.8
157.06450	0.4
158.10809	0.7
160.05070	0.5
161.05943	1.8
162.06271	0.7
163.03874	4.2
163.07550	0.5
163.11163	0.8
163.14789	4.6
164.04250	1.9
165.05484	1.1
165.09061	0.5
167.03394	0.9
167.06998	1.5
168.07333	0.8
173.05956	1.1
173.13249	8.8
174.13551	0.5
174.38010	0.4
175.07452	1.0
176.07823	0.7
176.23630	0.4
177.05406	0.9
179.03300	0.7
181.04893	0.7
189.05412	0.7
189.09093	0.7
190.09389	0.7
190.88110	0.4
191.14279	100.0
192.14575	3.3
193.08557	2.6
193.15883	0.7
201.09062	0.8
202.09389	1.2
205.78789	0.4
207.06389	0.5
209.15320	6.8
209.18767	0.4
215.10623	0.5
219.10126	2.7
220.10423	2.1
227.07120	0.5
227.16370	4.4
231.10120	0.5
232.10480	0.9
237.11044	0.4
243.10303	0.5
244.10472	1.0
249.11255	0.7
257.08087	1.0
262.11633	0.6
293.08035	1.7
311.09119	1.2
320.00211	0.4
323.08990	1.8
335.09091	1.1
345.13223	1.2
353.10284	1.9
353.19507	1.2
358.13617	0.6
370.13522	0.8
371.10858	0.7
371.15002	1.0
388.14526	2.1
389.16214	0.7
400.28088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01106	0.4
53.03932	0.6
55.01859	0.5
55.05494	1.6
57.03415	0.6
57.07052	0.7
61.02921	0.5
65.03909	0.7
66.00628	0.3
67.05493	2.1
69.03416	3.0
69.07045	1.4
70.50960	1.4
71.04977	0.4
77.03912	0.4
79.05466	2.8
81.03387	0.9
81.07043	2.6
83.04974	0.7
85.02892	3.8
88.34184	0.4
91.05472	8.4
93.07025	2.7
95.04935	1.1
95.08581	1.1
97.02899	1.6
97.06494	0.5
99.04423	0.5
102.24856	0.3
103.05441	0.5
104.18885	0.3
105.07012	15.7
107.08574	4.5
109.06474	0.8
109.10128	0.5
115.05418	1.4
116.06227	1.8
117.07013	4.1
119.08561	21.4
120.08855	0.7
121.06522	0.4
121.10124	3.3
123.04436	0.3
123.08044	0.7
127.03880	0.5
128.06154	1.1
129.06995	6.1
130.07794	2.0
131.08549	21.5
132.08882	0.4
133.06554	0.4
133.10107	4.3
135.08054	1.8
137.05995	0.8
139.03891	1.3
140.04245	0.5
142.07751	0.6
143.08539	14.5
143.09671	0.7
144.09344	4.1
145.05017	0.9
145.10098	13.5
146.10431	0.6
147.11667	18.1
147.99312	0.3
148.11995	1.2
149.09615	1.3
149.13191	1.8
156.09279	1.0
157.10126	0.8
158.10890	16.2
159.11150	0.5
163.03917	0.9
163.11221	0.5
164.04175	0.6
165.12730	1.4
167.06982	0.5
171.11650	0.4
173.13237	100.0
173.81877	0.3
174.13550	4.6
175.14897	0.6
180.08661	0.4
184.17699	0.4
189.09142	0.4
191.14279	43.9
192.14615	1.9
209.15332	1.6
226.15132	0.5
227.12741	0.5
227.16454	0.7
236.09174	0.5
366.85501	0.4
388.23026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52965	0.2
53.03938	0.3
55.05503	1.2
57.03429	0.3
57.07059	0.8
59.04970	0.3
61.02895	0.5
61.35982	0.2
65.02950	0.2
65.03931	0.7
67.05505	1.9
69.03410	2.2
69.07049	2.2
69.41174	1.4
69.41611	1.0
71.04974	0.4
79.05481	2.9
79.24923	0.3
81.03413	0.5
81.07044	2.7
83.04957	0.8
83.08587	0.6
85.02895	2.5
88.73721	0.2
91.05465	7.7
93.07035	3.8
95.04970	1.3
95.08585	2.1
97.02860	0.6
97.06512	0.6
98.20784	0.6
99.04430	1.1
103.05454	0.6
103.37245	0.3
105.04540	0.3
105.07016	11.5
106.07300	0.4
107.08585	10.2
109.06512	1.0
109.10136	1.3
115.05431	0.8
116.06200	1.0
117.06998	4.4
119.08562	12.2
120.08837	0.4
121.06503	0.5
121.10130	11.0
121.11017	0.6
122.10522	0.5
123.08034	1.9
123.11697	0.5
124.08351	0.3
124.12019	0.3
125.09604	0.4
127.03868	0.7
128.06209	0.8
129.06984	3.5
130.07797	1.9
131.04901	0.5
131.08554	18.5
132.09286	0.6
133.10124	5.2
133.11095	0.5
134.10561	0.3
135.08029	3.1
135.11652	0.9
137.05940	0.8
137.09604	0.7
139.03847	1.0
140.04297	0.3
142.07771	0.5
143.08543	7.2
144.09322	3.0
145.04919	0.6
145.10106	12.8
146.10437	0.3
147.08072	0.3
147.10486	0.4
147.11662	7.3
149.09602	1.3
149.13237	7.4
153.09073	0.6
156.09361	0.6
157.10118	0.6
158.10887	10.2
159.11189	0.3
161.09645	0.5
163.03888	0.8
163.07632	0.3
163.11159	0.6
163.14780	0.9
164.04239	0.6
165.05536	0.4
165.12785	0.3
167.07042	0.4
169.08641	0.4
169.12268	0.3
171.11656	0.5
173.13242	17.8
174.13628	0.7
175.14804	7.8
175.16248	0.5
175.69824	0.2
180.08687	0.4
182.05365	0.3
190.09314	0.3
191.14281	100.0
192.14618	4.9
193.15814	0.6
208.14127	0.5
209.15352	2.7
226.15189	0.4
227.12843	0.4
227.16420	1.5
246.97798	0.3
335.18393	0.4
388.14905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2889
Annotation	5,10-Dihydroxyfurospinulosine 1
Peak:m/z	Relative Intensity
52.55481	1.6
55.05502	11.3
57.07066	9.1
67.05499	19.0
69.03400	2.3
69.07052	19.5
71.08614	1.8
71.63152	1.8
73.27788	1.7
79.05470	11.7
81.07047	72.0
83.08604	10.1
91.05463	14.9
93.07030	22.1
95.08596	100.0
97.10149	6.4
105.07018	37.2
107.08579	41.4
108.08874	1.6
109.06497	1.7
109.10140	32.1
117.07018	7.3
119.08568	20.3
121.10129	23.7
121.90977	1.8
123.11690	27.4
124.32925	2.0
127.56182	1.7
129.06976	3.8
130.07780	2.0
131.08563	21.5
131.64505	1.5
132.08878	1.8
133.10110	30.1
135.08000	1.9
135.11679	18.7
137.13242	63.1
142.07747	2.2
143.08530	12.6
145.10091	23.9
147.11665	23.4
149.06042	1.9
149.09592	5.3
149.13248	27.4
151.14801	6.2
157.10118	16.9
158.10834	2.0
159.11679	23.3
161.09595	2.6
161.13237	26.8
163.11142	3.4
163.14806	22.9
165.16431	2.1
171.11703	13.3
173.13240	14.6
175.11212	2.1
175.14799	6.4
177.09135	2.5
177.14986	1.5
177.16350	10.6
179.10664	2.2
183.11623	1.8
184.09308	1.7
185.09575	1.8
185.13173	12.7
187.11049	2.5
187.14798	12.7
189.12721	2.8
189.16379	3.6
191.10602	4.0
191.17950	3.9
193.12193	2.3
195.10139	2.6
197.13182	2.7
199.14812	8.9
201.16388	4.2
203.10703	3.0
203.14330	3.1
205.12172	4.4
207.13731	5.6
209.11702	5.8
211.14877	2.1
213.12592	1.8
213.16403	3.7
215.14406	1.9
215.17970	3.0
217.12187	7.6
217.15862	2.6
219.13753	6.0
227.17876	2.4
231.13707	10.2
233.15381	5.7
239.17964	2.2
245.15291	7.4
247.16998	2.5
249.14838	2.6
253.19414	1.9
259.16840	2.0
263.16470	4.9
269.22714	2.4
299.19958	1.9
323.27252	8.9
325.28909	2.5
341.28375	7.7
351.26724	5.4
369.27878	31.8
370.28195	2.9
387.28876	58.4
387.33585	3.4
388.29050	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	388.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.24187	0.3
55.01837	0.3
57.03436	0.3
59.23175	0.3
62.83502	0.3
62.86408	0.3
69.03424	0.9
69.64261	1.0
69.64686	0.7
73.02911	0.5
85.02901	2.0
87.04457	0.3
91.05456	2.4
93.07027	4.3
95.04952	1.1
97.02870	1.1
99.04424	0.3
101.00845	0.4
103.05449	2.2
105.61630	0.3
114.25137	0.3
119.01897	1.6
120.01952	1.3
121.06480	100.0
122.06832	1.8
123.04413	0.4
127.03889	0.7
131.01884	0.4
133.03488	0.3
134.05995	0.4
138.09111	35.6
139.09477	0.6
143.01872	0.6
145.03435	0.6
145.04941	0.5
146.03648	0.4
147.04318	0.5
150.05357	0.3
152.07050	1.2
153.03136	0.3
153.07394	0.3
157.03453	0.7
158.03601	0.8
159.03130	0.7
161.02925	1.1
166.04973	0.4
167.01901	0.3
173.02847	0.5
175.04521	0.7
176.04697	0.8
177.00935	0.3
184.05829	0.3
185.02808	0.3
203.04041	0.3
204.04488	0.3
206.05821	0.6
219.01895	0.6
221.04941	0.5
223.04655	0.3
223.06609	1.2
224.06830	1.6
225.06305	0.8
226.02696	0.3
226.10645	0.6
227.10196	0.9
229.00439	0.4
241.07545	0.4
242.07863	0.9
243.07375	0.4
265.07520	0.5
266.07767	0.4
268.06888	0.3
310.04321	0.3
328.05719	1.2
329.02103	0.3
346.09628	0.5
347.03638	0.3
388.09302	0.5
388.13705	7.8
389.13510	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2522
Annotation	12alpha-Hydroxy-3-oxochola-4,6-dienoate
Peak:m/z	Relative Intensity
55.01833	2.1
55.04279	2.3
55.05497	16.4
59.04984	2.5
65.03912	5.1
67.05494	26.4
69.03410	3.3
69.07053	14.3
69.54564	16.9
69.54976	5.0
70.47741	2.3
71.04968	10.4
79.05474	20.6
81.07043	57.2
82.86781	3.0
83.04947	3.6
83.08596	7.1
85.06533	17.9
91.05476	28.6
93.07027	46.2
95.04957	6.5
95.08592	76.7
97.06516	12.6
97.10129	3.4
98.59506	2.6
105.07019	65.7
105.07740	3.4
107.04926	3.2
107.08578	52.6
109.06484	8.2
109.10139	48.9
111.08044	7.5
111.11674	2.3
113.09647	11.6
117.06976	17.8
119.08562	65.5
121.06478	7.9
121.10123	35.5
121.76673	2.5
123.04379	5.3
123.08029	11.4
123.11698	13.9
125.09608	4.3
128.06177	8.5
129.06973	18.7
130.07745	5.6
131.08546	52.2
133.10115	53.8
135.08041	5.3
135.11633	18.4
137.05952	3.6
137.09613	14.3
137.13220	8.0
139.03867	24.2
139.11075	4.1
141.06964	7.5
142.07736	9.7
143.08551	45.6
144.09343	3.7
145.10098	77.7
146.10420	2.3
147.04269	3.1
147.08014	9.4
147.11658	41.6
149.05948	2.4
149.09607	15.0
149.13284	11.9
151.07483	5.6
151.11118	7.2
153.12645	4.2
155.08536	20.0
156.09259	8.5
157.10114	57.6
158.10767	2.4
159.08003	7.0
159.11670	56.6
161.09589	9.8
161.13194	29.2
163.03804	3.2
163.11153	9.9
163.14804	11.0
165.06921	6.0
165.12778	3.9
166.07738	3.9
167.08537	7.3
168.09305	3.5
169.10110	34.2
170.10762	4.1
171.07906	2.6
171.11671	44.8
173.09596	8.5
173.13249	35.0
175.11157	10.1
175.14789	11.3
177.09047	4.2
177.12700	6.4
177.16460	2.5
179.08531	6.8
179.14259	4.3
181.10092	10.5
182.10960	2.5
183.11679	41.5
184.12433	3.2
185.09595	7.9
185.13243	47.5
187.11140	8.2
187.14827	26.9
189.12733	7.4
189.16370	6.3
191.10600	3.9
191.14252	5.9
193.10081	7.7
193.12164	2.9
193.15744	3.1
194.10809	3.4
195.11647	18.8
196.12337	3.1
197.13258	29.8
199.11201	6.7
199.14792	24.3
201.12720	7.5
201.16364	7.8
203.10623	5.1
203.14284	8.8
205.12221	8.3
206.10927	3.6
207.11745	7.5
207.13623	3.8
209.13281	20.7
211.14792	21.0
213.12720	6.6
213.16327	12.4
215.14311	3.2
215.17892	5.1
217.12161	7.0
217.15839	4.9
217.19397	4.4
219.10097	9.2
219.13849	2.8
220.12329	2.8
221.13203	8.6
223.14803	9.7
225.16316	10.9
227.14316	7.7
229.12282	2.5
229.15787	4.5
231.13716	5.8
233.13277	5.0
234.90378	2.6
235.14870	6.1
237.16298	8.1
239.17879	6.3
241.19650	3.0
245.15274	4.9
249.16359	7.8
251.17863	8.4
253.19417	4.7
261.16360	4.3
263.17950	10.1
265.19479	4.7
267.17514	4.6
267.20969	3.6
269.18985	2.4
275.17914	2.9
277.19452	7.3
278.45981	2.7
279.21066	7.9
281.22635	6.8
291.21060	18.8
295.16885	3.4
295.20529	7.5
299.16684	3.0
305.22498	23.2
307.24170	6.0
309.22064	5.4
317.22635	15.0
323.19824	4.8
323.23642	73.3
324.24091	5.4
325.21567	5.2
325.25162	14.8
331.24216	5.3
333.22079	8.1
341.20663	3.8
341.24692	72.8
342.24750	3.6
351.23141	42.6
369.24142	70.4
369.28415	3.9
387.25183	61.5
387.30286	100.0
388.25864	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2005
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03924	6.3
55.01863	6.7
55.05504	18.4
57.03429	15.4
57.07078	1.7
61.02917	15.9
67.05504	9.9
69.03417	46.6
69.07067	12.9
69.44169	8.4
69.44574	4.0
70.03739	2.0
70.06567	1.5
71.04987	15.0
72.87363	1.7
73.02910	17.1
74.03242	2.0
79.05470	9.8
81.03410	18.4
81.07046	23.6
83.04967	59.9
83.08598	3.8
84.08106	1.6
85.02890	100.0
85.06515	5.0
85.23581	1.5
85.42754	1.2
86.03223	6.2
87.04440	7.8
90.46248	1.4
91.03939	4.6
91.05476	7.1
93.07045	10.1
95.04953	23.6
95.08595	13.4
97.02877	35.1
97.06512	6.3
98.03218	3.3
99.04434	43.5
99.08027	1.5
103.03916	1.9
103.05441	2.0
105.07018	11.8
106.02928	1.6
107.04944	2.5
107.08570	21.7
109.02866	11.5
109.06509	11.4
109.10125	14.8
111.04430	1.4
111.08076	3.6
115.03910	7.4
116.04230	2.0
116.07061	1.6
119.04907	1.6
119.08557	8.8
121.06478	5.1
121.10105	9.5
123.04414	7.8
123.08051	4.9
123.11700	20.1
124.03931	2.7
125.05975	2.3
125.09597	19.1
127.03886	28.7
128.04240	3.3
131.04909	1.8
131.08530	4.6
133.04926	2.9
133.06464	3.3
133.10107	11.9
135.07993	2.0
135.11697	4.1
136.07536	1.6
137.05962	5.4
137.09595	23.2
141.09076	1.6
145.04942	28.1
145.06203	1.9
145.06430	1.5
145.10115	4.0
146.05266	5.6
147.04385	3.5
147.11636	3.6
149.06013	1.9
149.09578	15.4
149.13235	4.4
151.03967	2.0
151.07545	3.5
151.11169	21.9
153.09123	3.3
153.12730	34.4
155.10612	1.4
159.11671	11.6
161.05930	1.5
161.13228	3.9
163.06006	6.8
163.07355	2.1
163.11166	3.7
165.12752	2.7
167.03267	2.0
167.07011	83.5
167.10670	9.0
167.14304	11.0
168.07330	2.8
171.11723	2.4
173.09579	1.6
173.13217	3.1
176.99980	1.5
177.05457	2.2
177.12764	9.3
179.06911	1.6
181.08600	2.0
183.13760	2.5
185.08125	2.2
189.12671	5.3
191.03348	2.8
191.14296	4.2
193.08621	3.8
194.73114	1.5
195.13780	75.7
196.14082	1.5
201.12404	1.6
207.06454	5.7
207.13779	16.9
209.15355	9.6
211.09578	1.8
217.01332	3.9
225.11134	2.8
225.14784	28.0
225.16853	2.3
226.10692	1.6
235.02330	3.4
249.14922	1.4
260.08563	1.9
263.12836	1.6
290.06213	1.7
341.80200	1.6
357.18988	4.1
369.12271	1.6
387.16144	19.6
387.20081	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	387.2004
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.73721	1.9
55.05495	3.6
57.07054	4.1
63.70733	1.8
67.05489	23.0
69.03421	3.5
70.60935	7.8
81.07041	4.1
81.79128	2.2
85.02905	9.4
85.06519	10.7
91.05459	4.2
93.07031	8.1
95.04993	3.0
95.08588	100.0
96.08916	4.3
97.78002	1.8
99.94427	1.8
105.07013	6.0
107.08575	10.1
109.10144	3.7
113.06014	11.8
118.14313	1.7
119.08562	18.1
121.10118	7.8
123.08038	33.2
123.11670	6.9
125.05967	2.4
135.11664	13.7
137.09563	2.9
147.11653	8.3
149.09592	34.5
151.07559	2.2
151.14728	3.5
157.03653	2.0
161.13249	16.3
163.11206	7.1
165.12741	7.5
171.11615	2.8
179.14288	3.0
189.12709	21.2
207.13765	77.2
225.14751	4.7
348.70502	2.3
385.86200	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2004
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05504	6.0
57.03420	2.6
59.05001	15.0
59.40384	2.4
67.05485	14.7
69.03418	7.3
69.69421	17.3
71.04977	3.0
79.05468	6.8
81.07035	6.7
81.36215	2.7
83.04918	4.0
85.02885	12.0
85.06505	5.9
91.05450	9.5
93.03394	2.5
93.07025	18.2
94.04212	2.5
95.04951	6.1
95.08593	30.5
97.06522	2.9
101.06000	7.5
105.03387	5.3
105.07001	21.6
107.04949	3.8
107.08577	45.4
109.06503	26.2
109.10133	12.6
109.34831	2.7
111.08028	4.2
113.06013	5.1
115.05452	3.5
117.06987	3.1
119.08560	19.5
121.02831	4.9
121.06484	3.9
121.10093	10.5
122.03690	5.7
122.07249	3.6
123.04326	4.1
123.08052	48.0
126.64301	2.3
127.03837	3.5
133.06470	3.3
133.10098	9.6
135.08002	12.4
135.11678	14.1
137.05965	100.0
137.09589	89.4
139.03868	5.8
141.09077	2.6
143.04874	2.4
145.06476	5.4
145.10100	3.7
147.07980	5.0
147.11644	11.5
149.09586	22.2
151.03851	2.8
151.07521	5.7
153.09097	7.2
161.13231	17.5
163.03899	5.7
163.11151	12.1
165.09123	8.2
165.12738	2.4
167.07077	11.8
171.11639	5.3
173.79359	3.0
174.10371	6.4
177.12708	4.1
179.14310	4.2
181.04936	9.8
181.12187	5.2
189.09126	3.8
189.12686	28.9
207.13773	61.3
225.14813	25.8
226.15303	2.3
230.00407	2.4
241.22046	3.0
332.22400	2.5
357.13202	8.8
387.14429	38.2
387.19330	5.0
388.14993	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.2
55.05495	1.0
55.87375	0.6
57.03427	0.8
59.04963	0.6
61.13123	0.6
65.03944	0.8
65.41043	0.6
67.05487	2.0
69.03403	2.8
71.04980	1.0
71.13288	1.1
72.08154	0.9
79.13452	0.6
81.03409	4.4
81.07023	2.5
83.04941	1.0
85.02892	6.9
91.05466	4.5
93.07022	2.4
95.04944	1.6
95.08577	2.8
97.02870	2.1
97.06506	0.7
99.04437	1.4
103.05443	1.3
105.03378	0.7
105.06986	3.9
107.04934	3.3
107.08575	2.7
109.06483	2.0
109.10127	1.1
111.08003	0.9
113.06003	1.1
117.07025	0.8
119.04910	1.7
119.08550	6.2
121.06526	4.0
121.10126	2.2
123.04417	1.8
123.08054	7.2
123.11653	1.7
124.03943	0.7
125.06004	1.1
127.03905	1.6
131.08524	0.9
133.02814	0.8
133.06496	1.2
133.10115	1.7
135.04375	0.8
135.08023	5.9
135.11601	1.0
136.05186	1.2
137.05942	2.7
137.09587	1.5
138.06741	1.0
139.07504	1.2
145.04897	0.9
145.06450	1.0
147.04373	2.5
147.08029	9.5
147.11673	3.2
148.05112	3.2
148.08766	1.1
149.05956	2.0
149.09610	5.3
151.03912	0.8
151.07507	8.8
153.05426	2.4
153.09027	1.1
154.06212	0.7
159.11688	2.3
161.05928	1.4
161.13185	4.7
162.06749	1.4
163.03841	2.2
163.07530	17.8
163.11171	1.4
164.08018	0.9
165.05423	2.0
165.09120	1.6
165.12683	0.7
166.06215	5.8
167.07024	5.2
168.07758	3.1
173.16806	0.7
175.03818	0.7
177.09074	8.5
177.12651	1.7
178.09857	76.4
179.07063	5.2
179.10623	10.0
179.14233	0.9
181.05042	3.7
181.08563	45.6
182.08856	0.8
189.12703	5.3
193.08618	0.9
194.09346	11.3
195.10133	2.4
207.10190	1.4
207.13748	16.3
209.11697	100.0
210.11978	4.1
225.14838	9.8
227.12715	3.5
237.11073	0.6
247.04666	0.8
269.95261	0.7
330.78754	0.7
387.15732	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1432
Annotation	Kenusanone D
Peak:m/z	Relative Intensity
55.01851	2.5
56.11012	0.5
65.03930	0.6
67.05489	1.1
68.99782	1.4
69.03400	1.0
69.07043	0.8
69.42059	5.4
73.61827	0.5
81.07045	1.2
83.04961	1.5
85.02876	0.5
91.05460	1.2
93.03405	1.4
93.07020	1.0
95.04970	1.1
95.08589	0.6
97.06513	7.8
103.05442	1.1
105.07005	1.8
107.04942	0.7
107.08593	1.1
109.06499	0.5
109.10197	0.7
111.04411	4.4
113.74091	0.5
115.05392	1.0
117.07002	1.0
119.08567	0.9
121.10137	0.6
122.03617	0.9
123.04428	5.5
123.11713	0.6
128.06190	0.6
129.07013	0.6
131.04915	1.8
133.10123	0.6
135.04437	0.9
135.11673	0.5
137.05949	10.3
137.09573	0.6
139.03879	100.0
140.04230	1.1
143.08549	0.9
145.06493	1.8
145.10110	1.2
149.05891	3.6
151.03873	2.5
155.03354	0.7
155.06081	0.5
155.08481	0.7
157.06424	0.7
159.08090	0.5
160.05180	1.4
161.05917	4.1
161.09618	0.5
163.03867	13.8
163.07538	1.0
165.05440	0.7
165.09102	0.8
167.03413	0.6
167.07014	9.7
171.08037	1.0
172.80479	0.6
173.05952	2.2
173.09554	1.4
174.06871	0.5
175.07481	2.9
179.03378	1.5
179.08614	0.5
181.04944	3.2
183.08090	0.6
185.05901	0.6
185.09598	0.6
186.06784	1.0
187.07472	0.9
189.09091	6.2
191.07033	1.2
191.10626	3.5
191.14357	0.7
193.08603	1.6
197.06000	0.9
197.09566	0.9
200.08200	0.7
201.09042	5.3
203.10674	1.7
205.08629	0.8
210.06874	0.8
213.09138	0.9
214.06241	1.3
215.07077	0.5
215.10626	3.4
217.08557	0.8
219.10106	11.4
219.12189	0.7
225.09068	1.1
229.05106	0.5
231.10175	3.6
233.08041	1.1
243.10152	8.7
261.11200	2.2
295.05917	0.8
313.07135	0.9
325.10678	1.4
351.12335	0.9
357.13248	1.0
369.13324	2.1
387.14505	6.4
407.56567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71600	0.3
53.03923	0.4
53.88547	0.4
55.01854	1.6
55.05507	0.6
55.16698	0.3
57.03426	0.4
65.03925	1.3
67.05499	1.8
68.99774	1.4
69.03416	0.6
69.07058	2.1
79.05486	3.9
81.07044	0.8
83.04977	0.8
93.03390	1.1
95.04977	1.9
97.02891	0.4
97.06519	44.1
98.06841	0.5
98.20721	0.9
99.04496	0.4
107.04968	0.7
111.04429	3.1
111.41483	0.3
119.04926	0.4
119.08524	0.4
121.02921	0.5
123.04415	17.8
127.03903	0.7
131.04962	0.4
133.06454	0.6
135.04382	0.7
137.05971	1.5
139.03886	100.0
140.04207	1.4
145.06468	0.7
147.04381	1.4
147.07970	0.5
149.05956	0.6
151.03926	0.8
153.05429	0.9
159.08093	0.6
160.05127	0.7
161.05951	3.6
163.03882	3.9
165.05475	0.7
173.05977	0.4
175.03894	1.1
175.07542	1.7
181.04967	1.1
187.07552	0.4
189.05403	0.8
189.09117	0.8
201.09076	9.9
203.10719	0.5
205.08636	0.8
214.27711	0.4
217.08627	2.6
219.10138	13.0
220.10564	0.4
225.09172	0.4
231.10181	1.7
243.10138	1.3
249.11296	0.6
257.11713	0.4
259.09631	0.7
261.11227	0.9
283.60681	0.4
327.08813	0.9
369.13315	7.5
370.13663	0.7
387.14288	1.1
407.81433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
54.79274	0.4
55.01861	1.6
55.05494	0.7
57.03423	0.7
65.03925	1.1
67.05496	1.7
68.99774	1.3
69.03409	1.0
69.07045	1.2
69.43089	3.5
69.43491	0.5
79.05476	1.2
81.03383	0.4
81.07027	0.7
83.04973	1.3
85.02905	0.7
85.06551	0.5
91.05458	0.9
92.36865	0.4
93.03407	0.7
93.07053	0.5
95.04955	1.5
95.08609	0.7
97.02876	0.9
97.06512	2.1
103.05456	1.0
105.03386	1.2
105.07015	1.1
106.03712	0.7
107.04937	0.7
107.08575	0.5
109.06509	1.3
109.10114	0.9
111.04439	4.0
115.05437	0.7
117.07012	0.7
119.08589	0.6
121.02849	0.5
121.10156	0.6
122.03606	0.4
123.04417	4.8
123.08075	0.7
127.03873	0.6
129.06982	1.0
131.04918	1.8
131.08583	0.8
133.06496	0.6
135.04375	0.7
135.07996	0.6
135.11638	0.7
137.05960	5.5
137.09647	0.6
138.47421	0.4
139.03889	100.0
140.04221	1.6
143.04836	0.4
143.08585	0.6
145.06459	1.3
145.10118	1.1
147.04387	0.6
147.11694	0.8
148.12035	0.5
149.05951	3.9
151.03877	1.1
151.07420	0.5
153.05490	0.7
155.03368	0.8
155.08521	0.7
157.06465	1.2
160.05191	1.2
161.05962	5.9
161.09660	0.6
163.03893	15.0
163.07512	0.7
163.11232	0.4
165.05458	1.1
165.09094	0.9
167.03294	0.5
167.07082	2.7
169.04944	0.5
169.10170	0.7
171.08032	0.9
171.11671	0.4
173.06013	1.3
173.09581	1.3
175.07509	4.6
177.05527	1.0
177.09047	0.6
179.03392	2.2
181.04999	1.9
183.08099	0.5
185.06007	0.6
186.06802	0.8
187.07523	1.5
189.05478	0.7
189.09087	5.6
189.12721	1.1
190.13045	2.0
191.07140	0.5
191.10663	3.7
193.08600	1.8
195.08044	0.5
197.09628	0.9
199.07558	0.7
200.08401	1.1
201.09103	6.9
203.10677	1.5
205.08650	0.7
207.13800	1.4
210.06712	0.5
213.09090	1.0
214.06250	1.1
215.10648	3.8
217.08621	1.7
219.10152	16.6
220.10349	0.7
225.09061	0.9
225.14815	0.9
230.34140	0.4
231.10019	3.0
242.09631	0.4
243.10152	5.4
261.11197	2.2
271.05914	0.4
295.06085	0.6
313.07138	0.4
325.10645	1.8
333.11127	0.5
341.13788	0.6
343.11761	0.4
351.12167	2.5
357.13229	1.1
369.13419	2.1
387.14334	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	386.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
55.01867	0.8
55.05503	5.2
55.41917	0.5
57.03419	1.5
57.07064	9.5
59.04996	0.9
61.02899	1.7
67.05466	1.1
69.03423	3.5
70.91505	0.7
70.91860	1.1
71.04983	0.8
73.06522	1.1
81.03394	1.1
81.13393	0.6
82.70251	0.5
83.04972	0.6
83.08612	3.2
83.09557	0.5
85.02886	10.9
87.04437	0.6
89.06016	52.0
93.07037	1.1
95.04935	4.1
95.08560	0.9
97.02888	3.8
99.04439	0.8
101.09641	8.5
102.63305	0.6
105.03359	1.0
105.07008	1.0
107.07025	1.5
107.08568	3.4
109.02854	1.3
109.10104	0.7
116.57333	0.5
117.74310	0.6
119.04848	0.6
119.08548	1.1
119.10663	1.0
121.10117	1.8
123.04350	0.8
123.08039	2.1
125.09599	0.9
127.03910	2.0
133.08578	16.0
133.10110	0.8
137.05920	2.4
139.03871	4.9
145.04926	1.8
145.10153	0.5
145.12201	8.3
145.95029	0.6
147.04344	1.1
147.07979	0.7
147.11708	0.8
148.04649	0.6
149.09569	1.1
151.09637	20.7
161.05952	0.9
163.03897	4.7
163.11154	0.7
165.09016	1.2
165.12672	0.8
167.07021	2.2
175.07518	1.2
177.16345	1.5
189.09117	1.4
191.10681	0.6
207.15877	100.0
208.16193	3.0
219.10023	1.0
225.14842	1.3
249.14867	3.3
251.40701	0.6
261.14975	0.8
267.15570	0.6
291.15640	1.0
320.49661	0.6
326.00159	0.6
351.17923	1.3
363.27097	0.6
387.14352	2.5
387.19861	1.5
397.20447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.4
58.99844	0.5
63.46020	0.2
68.98272	0.2
69.03405	0.6
71.09576	0.5
73.02922	0.4
77.00874	0.9
82.99853	0.6
85.02890	1.6
86.76159	0.2
87.47477	0.2
89.00882	0.6
95.01913	0.5
97.01353	0.3
101.00863	8.9
102.00970	0.3
103.02434	0.3
115.02419	1.1
119.01901	21.2
120.01987	1.0
124.02464	0.2
127.02417	1.1
127.03915	0.4
127.63690	0.2
131.01894	0.9
133.03430	2.5
137.02914	2.4
139.02403	1.9
142.03406	0.3
143.01866	4.5
144.01933	0.3
145.03442	9.2
151.04517	0.3
157.03441	21.9
158.03600	1.0
161.02936	5.4
162.03130	0.4
163.04488	2.5
169.03427	0.4
171.04951	0.7
175.04497	10.5
176.04736	0.3
180.05157	0.4
181.05527	1.7
184.05788	0.4
187.04523	0.4
189.06059	0.8
205.05521	7.6
223.06590	29.4
224.06775	1.6
225.06384	0.3
241.07651	10.4
242.07787	0.6
246.08203	0.9
265.07657	8.1
266.07849	0.7
267.07483	0.7
277.07700	0.7
279.09238	7.5
280.09467	0.5
291.09058	0.5
352.15875	0.3
367.10602	0.3
387.13403	100.0
388.13681	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	387.1432
Annotation	Comazaphilone D
Peak:m/z	Relative Intensity
53.03918	0.4
55.01873	2.2
57.03418	0.6
65.03925	0.9
67.05495	2.3
68.99773	1.1
69.03410	0.5
69.07055	2.8
79.01248	0.4
79.05481	3.1
81.07065	0.9
83.04967	1.5
91.05455	0.9
93.03397	1.3
95.04961	2.4
97.02878	0.6
97.06522	27.6
98.21477	1.0
99.04436	0.6
103.46554	0.4
107.04922	1.0
111.04440	3.1
115.05452	0.4
119.04937	0.9
123.04419	17.2
127.03911	0.6
128.06323	0.4
129.06964	0.3
131.04881	0.5
131.08580	0.4
132.05745	0.4
133.06509	0.7
135.04414	1.2
137.05986	1.3
139.03886	100.0
140.04202	1.7
145.06461	1.2
147.04382	1.3
147.08009	0.4
148.05148	0.5
149.05972	0.7
153.05472	0.8
159.04411	0.8
159.08067	0.5
160.05133	0.7
161.05974	3.8
163.03899	4.8
165.05475	0.9
165.09079	0.4
167.03378	0.6
173.05913	0.5
175.03906	0.8
175.07521	1.7
181.04878	1.2
183.78062	0.3
185.09546	0.5
189.05426	1.0
189.09157	1.0
197.09584	0.4
201.05777	0.4
201.09081	12.7
202.09839	1.0
203.10384	0.4
205.08586	0.5
215.10612	0.6
217.05103	0.7
217.08621	3.3
219.10144	38.4
220.10562	1.2
225.09203	0.4
231.10103	2.3
243.10153	1.6
249.11197	0.6
257.11499	0.6
259.09671	0.8
261.11264	0.8
273.07458	0.4
274.29587	0.4
285.11414	0.5
301.06915	0.4
327.08524	0.9
327.12012	0.6
351.12689	0.5
369.13297	9.7
387.14404	1.9
400.06290	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.01860	6.6
57.03426	16.1
59.04986	2.3
61.02915	13.5
69.03416	34.7
70.06995	6.5
71.01337	2.2
71.04958	2.1
73.02902	71.4
77.76632	1.3
81.03397	5.9
83.04885	1.1
85.02886	100.0
86.03200	1.9
87.04454	11.4
91.03929	6.1
97.02872	56.4
98.03107	1.2
99.04424	4.2
103.03912	3.2
109.02835	9.0
115.03907	38.4
123.04403	1.4
127.03896	34.3
133.04941	54.9
140.54312	1.3
145.04930	66.5
150.07643	4.0
163.05983	41.1
163.07368	1.7
167.06985	16.7
173.31685	1.6
181.07028	1.2
193.04836	1.7
193.95158	1.2
194.05316	1.2
199.05966	1.4
207.13824	1.3
217.06964	1.4
223.05959	6.4
225.14587	1.6
237.13225	9.5
241.06938	6.8
254.15787	1.2
259.08109	12.3
269.00604	1.2
277.09048	4.2
295.10242	6.3
387.15912	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	386.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03924	2.4
55.01861	4.0
55.05510	0.9
57.03426	3.5
57.07061	1.2
58.76943	0.7
61.02914	6.2
65.03918	1.2
67.05484	2.4
67.68445	0.8
68.99784	0.7
69.03419	15.6
69.07048	1.6
70.07427	3.0
70.07841	1.3
70.44313	0.6
71.04979	2.9
73.02897	3.9
79.05482	22.6
79.89278	0.7
81.03409	5.8
81.07045	1.8
85.02895	75.4
85.06532	32.0
86.03223	1.3
87.04459	1.8
91.03957	4.7
91.05471	1.6
91.46098	0.8
93.07001	1.5
95.04955	3.3
95.08594	1.0
97.02878	19.3
97.06522	23.4
98.21465	1.3
99.04439	3.9
103.05457	1.4
105.03378	28.2
105.07030	1.5
107.04951	1.2
107.26227	0.7
109.02875	5.9
109.06521	1.0
111.04414	2.5
115.03913	1.2
117.06973	1.2
119.08537	0.9
123.04414	100.0
124.04736	2.4
127.03909	19.1
128.06224	0.9
131.04901	5.0
131.50052	0.7
133.06509	1.1
135.04430	0.8
137.05975	6.0
139.03885	60.0
143.08440	0.9
145.04945	40.5
147.04428	1.2
147.07983	1.1
147.17740	0.9
149.05951	1.7
151.03882	1.1
153.01830	11.4
153.05382	1.2
154.02159	4.8
161.05963	4.4
163.03915	6.1
163.05989	12.6
163.07393	1.6
165.05469	1.5
167.03400	2.0
167.07060	1.5
173.05923	1.2
175.07451	3.6
177.05389	1.1
181.05003	1.6
181.08594	0.7
185.09364	0.7
189.09084	9.5
190.09489	1.7
201.09018	1.7
203.07034	0.8
217.08530	2.0
217.10446	0.8
219.08044	1.5
219.10138	22.8
229.10626	4.1
260.09906	1.1
285.09744	2.1
325.10742	1.1
326.10971	3.8
335.55191	0.8
357.13589	1.2
368.12265	1.2
369.13159	0.9
387.14383	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	386.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01868	1.5
57.03429	33.1
59.04977	1.1
61.02916	14.7
63.47781	0.9
66.26309	1.0
69.03417	29.3
70.05367	3.1
70.05782	2.5
71.01331	1.9
71.04993	1.9
73.02908	65.9
74.03242	1.5
78.04710	1.3
81.03402	6.1
85.02892	100.0
87.04451	3.8
91.03946	5.4
93.07069	1.4
95.01305	1.2
95.04924	1.6
96.04467	1.1
97.02879	46.5
99.04449	3.8
105.07043	1.3
106.04177	1.4
107.04985	1.5
109.02873	9.4
115.03922	36.4
115.04739	1.9
123.04391	2.9
124.05202	1.0
127.03900	30.5
132.06599	1.5
133.04939	13.3
145.04941	61.7
146.05286	1.0
150.07588	5.9
152.04657	1.3
161.05984	1.1
163.05997	44.2
165.28065	0.9
167.07021	75.8
176.51468	1.1
193.08603	2.8
204.88754	1.4
205.12061	1.0
207.13828	1.2
211.09695	3.5
223.05945	4.8
237.13335	10.1
241.07097	4.5
254.59821	1.1
259.08136	6.2
295.10181	5.3
408.08490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07169	1.0
55.01855	5.0
57.03432	22.2
59.04969	1.5
61.02918	15.9
62.06040	1.0
62.69218	1.1
62.99803	1.1
69.03421	36.5
69.03803	1.9
69.44505	8.7
69.44909	2.2
71.01348	3.0
71.04967	1.7
73.02911	72.8
81.03415	6.1
81.07037	1.7
83.04957	1.6
85.02895	100.0
86.03230	1.7
87.04469	7.2
91.03947	5.6
93.07046	1.5
95.23949	1.1
97.02881	50.2
99.04449	6.3
103.03915	1.9
109.02856	8.4
111.04425	1.5
115.03146	2.1
115.03918	33.0
119.08627	1.2
125.09657	1.4
127.03905	35.6
133.04959	37.4
145.04942	64.0
149.09584	1.2
150.07581	3.9
151.83325	1.3
163.06007	39.6
167.07019	13.1
193.04863	1.4
195.13744	2.1
207.13818	1.1
223.06009	7.1
225.14780	2.2
237.13289	7.8
241.07025	6.9
259.08124	13.0
277.09317	2.1
295.10104	6.7
344.12015	1.3
386.14551	1.5
387.15994	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01862	0.6
55.05486	0.3
57.03420	1.4
57.07711	0.3
58.06591	1.8
59.04994	0.6
60.99551	0.3
61.02919	2.1
68.04996	0.6
69.03419	5.4
69.91673	1.9
70.06574	0.4
71.04967	0.8
73.02905	0.9
79.05486	0.9
81.03419	2.0
83.01331	0.4
85.02890	13.6
87.04453	0.5
91.03933	0.8
91.05459	2.0
95.04954	0.4
97.02882	5.0
97.06573	0.4
99.04443	0.9
99.06819	0.5
103.05450	3.5
105.07009	11.0
107.04920	1.5
109.02853	1.3
109.14421	0.3
109.30940	0.3
115.03912	0.5
118.06535	4.1
119.07299	0.4
120.08090	9.6
121.02844	0.9
123.04455	0.5
124.75908	0.3
127.03874	2.1
128.06206	1.5
130.06511	0.8
131.04942	2.0
131.07274	0.6
131.08534	0.4
132.08035	0.5
143.08543	1.5
145.03899	0.3
145.04889	2.0
147.04353	0.4
149.05894	0.5
151.03886	0.4
160.11194	46.6
161.11514	1.8
163.03906	0.4
167.07019	3.9
178.12241	45.4
179.12556	1.3
183.05247	0.3
206.11729	9.3
206.14999	0.4
220.21027	0.4
224.12773	100.0
225.13147	3.5
248.12697	0.9
256.33075	0.4
261.07019	0.4
275.09238	0.4
276.09436	1.6
350.15942	1.5
368.16611	0.5
386.14044	1.2
386.18115	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	385.2731
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
50.64867	0.8
51.02374	0.9
55.01860	1.8
55.05503	9.2
57.03438	1.6
57.07066	2.1
60.22232	1.0
60.90114	0.7
65.03926	1.5
67.05500	13.1
67.86913	0.9
67.90983	0.7
69.03426	6.0
69.07058	9.5
69.18604	0.9
69.30553	7.5
69.30974	2.8
69.78214	0.7
71.04991	1.8
77.03876	0.9
79.05486	15.7
81.03398	1.5
81.07049	34.1
83.04963	2.5
83.08595	4.5
83.52362	0.9
85.02899	1.5
85.06531	2.0
86.76001	1.0
91.05465	18.2
93.07033	33.8
95.04973	4.7
95.08595	29.3
97.06516	15.6
97.10162	3.2
98.20647	1.9
99.08110	1.9
103.05476	1.6
105.07019	40.5
106.07345	1.1
107.08584	51.1
108.08936	1.1
109.06501	4.9
109.10149	19.3
111.08072	9.3
113.06034	0.9
117.07008	6.4
119.06157	1.1
119.08568	46.5
120.08899	1.0
121.06503	17.1
121.10127	64.0
122.10484	2.8
123.04457	1.3
123.08063	9.0
123.11695	7.6
124.05122	0.9
125.09673	1.4
126.51213	0.9
128.06229	3.6
129.06999	7.3
130.07806	1.5
131.08549	25.2
133.06557	2.0
133.09094	1.8
133.10112	37.6
134.10472	1.5
135.08031	11.1
135.11678	23.7
137.06047	1.2
137.09639	4.1
137.13254	2.8
139.11223	1.1
141.06984	2.5
142.07742	3.7
143.08540	15.1
143.77457	1.0
144.09383	2.1
145.06508	2.0
145.10106	27.0
146.10446	1.3
147.08035	40.9
147.11673	24.3
148.08420	1.6
149.09604	17.1
149.13237	9.1
151.11169	4.3
153.01823	4.0
153.09084	1.3
155.08531	5.0
156.09323	4.1
157.10118	21.2
158.10728	1.2
159.08061	3.4
159.11678	22.1
160.08853	1.7
161.09607	50.8
161.13229	15.7
162.10187	2.1
163.04013	1.1
163.11153	17.5
163.14783	5.5
165.12775	2.5
167.08562	1.1
167.10701	3.3
168.09401	1.0
169.10114	5.7
170.10925	1.2
171.02931	2.7
171.08119	1.3
171.11673	17.2
172.08705	0.9
173.09602	5.8
173.13217	15.2
173.14627	1.0
175.11159	25.7
175.14795	10.4
176.11766	1.8
177.12724	9.5
177.16383	3.3
179.10704	2.4
179.14282	3.1
181.10089	1.3
181.12270	8.6
183.11641	7.2
185.09647	3.5
185.13260	14.8
187.07465	1.0
187.11226	8.0
187.14815	9.9
189.12726	33.8
189.16393	3.5
190.13463	2.9
191.14288	9.0
193.12213	8.9
195.11681	3.2
195.13835	2.4
197.13237	5.0
199.11241	1.4
199.14799	11.3
201.12729	10.9
201.16315	4.3
202.13292	0.9
203.14299	20.2
203.16124	1.3
205.12233	2.0
205.15871	5.0
207.11821	1.7
207.13860	1.8
207.17429	2.1
209.13356	2.0
211.14876	4.0
213.12752	2.1
213.16466	2.4
215.14278	9.9
215.18028	1.3
217.15862	11.2
219.17540	1.6
221.13210	1.2
221.15315	1.2
223.14818	2.5
223.16841	1.5
224.15448	0.9
225.12814	1.8
225.16307	4.1
227.14377	1.6
227.17833	1.1
229.15871	1.7
231.17403	1.6
237.16463	1.6
239.14381	1.2
239.17987	2.0
241.15871	2.4
241.19576	1.0
243.17522	3.4
251.17920	1.0
253.19443	1.3
255.13918	1.2
255.17468	1.1
257.19089	1.6
265.19400	1.0
267.20840	1.2
269.19034	1.7
271.20612	1.1
277.19199	1.2
283.20914	1.4
297.22052	1.1
307.24152	2.1
311.20081	1.3
313.21649	1.4
323.23767	2.1
325.25153	15.7
326.25650	1.5
331.24356	2.0
339.23260	1.8
339.26913	5.2
349.21097	1.4
349.25220	23.7
349.29269	1.3
350.25583	1.8
367.22705	3.5
367.26312	100.0
368.26596	7.3
385.13422	1.8
385.23642	8.7
385.27487	87.4
386.23648	1.6
386.27902	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	385.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01861	4.7
55.05500	13.3
57.03416	2.6
57.06815	1.5
57.07066	6.1
59.04991	1.7
60.70956	1.5
65.03923	1.6
67.05115	1.8
67.05491	30.6
67.74729	1.4
69.03426	7.5
69.07059	14.7
71.04974	3.6
71.08624	12.5
71.62527	1.7
71.62937	2.0
72.92073	1.4
79.05479	24.7
81.07045	33.9
83.04967	5.0
83.08599	5.4
84.36423	1.7
85.06527	9.5
87.04447	2.1
91.05467	21.1
93.06458	2.4
93.07030	33.2
95.04956	12.5
95.08595	30.4
96.05744	2.6
97.02865	16.6
97.06498	9.7
97.10165	3.0
99.08060	9.3
105.07011	20.5
107.04922	2.4
107.08569	19.0
109.06493	14.8
109.10125	15.3
110.07311	1.6
111.04420	13.7
111.08064	5.5
113.05978	5.7
116.98650	1.5
117.06989	4.2
119.08555	17.6
121.06494	16.1
121.10122	25.2
122.10503	1.7
123.04405	9.0
123.08057	7.1
123.11700	5.8
124.05184	4.7
125.05935	3.7
125.09606	4.0
129.06967	2.0
131.08539	20.3
133.10078	11.8
134.34288	1.6
135.08028	7.0
135.11671	7.5
137.05951	4.3
137.09605	5.0
137.13206	1.6
139.11150	3.5
142.07724	1.8
143.08556	5.2
145.10101	6.8
147.04427	1.9
147.08044	4.2
147.11665	9.3
148.45209	1.4
149.02318	1.6
149.09592	14.8
149.13213	4.7
151.11169	4.9
151.63422	1.4
153.01797	3.0
155.08527	3.1
157.10147	2.8
159.07870	1.7
159.11700	6.6
161.09555	2.5
161.13225	10.0
163.11168	7.1
163.14761	2.3
165.09160	1.6
165.12744	18.3
167.10651	4.8
169.10081	2.5
171.11694	3.6
173.13252	4.5
175.11244	2.0
175.14792	3.3
177.12750	2.2
177.16298	1.5
179.14342	3.4
181.12202	100.0
182.12514	4.2
185.13266	2.9
187.11197	1.5
187.14838	3.5
189.12697	5.9
189.16338	2.2
191.14290	3.8
191.17932	2.4
193.12280	2.1
199.14827	2.3
201.12697	1.8
203.14206	1.8
203.17981	2.1
205.12296	2.1
207.13808	2.7
209.13069	1.5
215.17885	1.7
228.41161	1.4
231.13629	1.8
261.22342	2.1
263.16360	3.6
277.21548	3.1
287.19977	2.3
289.21515	10.0
293.21262	1.8
305.21085	26.2
350.24484	2.0
351.25244	81.5
352.25644	5.5
367.25967	2.7
367.29953	2.8
385.08926	2.0
385.23242	8.5
385.27725	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	385.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01859	1.8
55.05494	0.8
57.03427	2.6
59.08173	0.4
61.02919	3.8
66.06051	0.5
69.03419	11.5
69.33850	5.5
71.04961	1.7
73.02885	1.6
79.05477	1.3
81.03397	4.7
81.07037	1.8
83.04961	1.0
85.02893	29.6
85.06519	0.5
87.04494	1.1
91.03936	1.5
91.05435	3.1
93.07030	3.0
95.04944	1.5
95.08567	1.6
95.22639	0.5
97.02878	8.2
97.06513	1.2
98.87754	0.5
99.04405	2.4
103.74265	0.5
105.03370	0.8
105.07010	4.9
107.04935	0.9
107.08573	2.9
109.02870	3.1
109.06502	2.2
109.10155	1.6
111.04449	0.9
115.05432	0.5
117.06997	0.8
119.04952	3.4
119.08584	4.5
121.06476	4.3
121.10116	3.6
123.04390	1.2
123.08044	2.0
127.03907	6.0
128.06221	0.8
131.08527	1.5
133.06483	1.0
133.10103	5.1
135.08028	5.4
135.11655	1.4
137.05939	0.9
137.09589	6.0
139.03845	0.7
142.07721	0.5
143.08540	2.9
145.04921	5.2
145.10104	3.0
147.04396	17.6
147.08000	3.2
147.11646	0.7
149.05974	1.0
149.09569	2.0
151.07457	0.6
151.11194	0.9
159.11685	3.2
161.09604	6.8
163.07489	5.9
163.11153	7.5
165.05461	1.2
165.09047	4.2
172.08818	0.7
175.04027	0.4
175.11165	4.5
177.12698	4.9
179.10652	21.1
180.10869	0.6
183.80353	0.5
187.11180	3.0
189.12672	0.7
201.05431	1.9
205.12204	44.0
206.12573	2.2
207.13710	0.5
223.13258	100.0
224.13622	3.8
247.51091	0.6
247.88521	0.5
350.88477	0.5
385.12558	2.3
385.18369	10.0
400.15302	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09142	0.2
53.03921	0.8
55.05507	0.3
57.03411	1.1
59.04957	0.4
61.02917	1.7
64.68658	0.2
67.05485	0.8
69.03080	0.3
69.03419	6.2
70.08844	0.6
70.09245	0.6
71.04974	0.7
73.02921	1.3
79.05463	0.8
81.03396	1.7
81.07032	0.7
83.04969	0.5
85.02891	25.5
86.03199	0.5
87.04437	1.1
89.86981	0.2
89.87623	0.2
91.03930	0.6
91.05460	1.2
93.07034	4.0
95.04942	0.8
95.08607	1.6
97.02874	3.3
99.04429	1.3
105.03396	1.5
105.07011	2.0
107.08577	3.5
109.02843	1.1
109.06500	1.4
109.10126	2.1
111.04373	0.3
117.07010	0.4
119.08563	5.7
121.06494	0.6
121.09298	0.5
121.10123	6.7
123.04414	0.3
123.08025	0.9
127.03897	1.8
131.08490	0.6
133.10097	0.9
135.08018	0.4
135.11696	0.4
137.09601	12.4
139.11127	0.4
143.08549	0.5
145.04904	0.5
145.10088	2.1
147.08035	0.8
151.89633	0.3
159.11688	1.1
161.09602	1.4
163.11148	3.4
165.09090	1.0
175.11206	0.6
177.05441	0.4
177.12753	0.7
179.10651	3.9
187.11189	0.9
203.10690	0.3
205.12210	20.2
206.12549	0.7
223.13254	100.0
224.13602	3.8
247.20221	0.3
256.07047	0.3
367.98544	0.3
385.18466	10.6
386.18787	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	5.7
55.05502	7.0
57.03415	9.4
57.07067	19.7
59.04989	4.6
61.02912	8.9
62.06066	5.7
67.05486	6.9
69.03416	32.5
69.07054	6.3
69.52759	28.7
70.06586	8.6
71.04964	9.2
72.08112	3.5
73.02926	6.6
79.05482	9.5
81.03401	16.5
81.07047	9.7
81.34940	3.3
83.04954	15.5
84.08132	12.5
85.02889	51.9
85.06521	7.1
87.04460	3.7
89.05992	4.1
91.05449	17.4
93.07023	26.0
95.04947	10.1
95.08598	11.4
97.02852	18.5
97.06492	4.5
99.04423	6.2
101.06026	3.1
103.05468	3.3
104.07088	14.4
105.07008	13.5
107.08575	19.1
109.02865	8.4
109.06513	9.3
109.10159	5.9
111.04436	3.7
113.05981	3.7
117.07029	4.3
119.04921	3.8
119.08553	18.2
121.02851	31.7
121.06490	34.4
121.10133	12.2
121.21081	2.8
123.04404	9.9
123.08032	14.8
123.11721	3.7
124.12011	3.6
127.03889	27.8
131.08574	5.7
132.92332	2.9
133.06464	3.5
133.10100	16.6
135.08061	17.5
135.11627	5.6
137.05948	7.1
137.09619	6.8
139.03857	5.5
139.07562	4.2
145.04929	9.0
145.10095	15.6
146.06007	4.3
147.04396	13.8
147.08066	16.5
149.05981	12.5
149.09598	11.0
151.03874	35.8
153.09135	4.3
159.11664	13.1
161.06021	4.7
161.09586	14.2
162.05379	3.4
163.11157	31.9
165.09109	41.8
167.07014	6.6
175.11151	8.9
177.09001	5.4
177.12732	42.4
179.10670	7.1
187.11142	12.9
188.13698	6.3
191.05440	5.9
193.12219	13.5
195.13704	4.4
200.00749	3.4
201.05363	16.8
205.12207	78.3
211.06062	5.0
223.09772	5.0
223.13245	100.0
224.13222	3.4
247.11763	13.9
344.95291	3.4
368.13351	3.8
385.14108	11.4
385.18713	10.1
385.26913	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	385.1276
Annotation	(2S,3S)-3,5,7-Trihydroxy-2'-methoxy-6'',6''-dimethylpyrano[2'',3'':4',3']flavanone
Peak:m/z	Relative Intensity
53.03912	0.4
55.01865	1.8
55.05489	0.7
57.03425	0.4
58.16446	0.4
58.88960	0.3
67.01858	8.4
67.05512	2.0
68.99779	3.9
69.01699	0.3
69.03413	0.8
69.07056	3.6
74.73715	0.3
79.05478	3.6
81.03394	1.1
81.07027	1.6
83.01300	0.4
83.04955	0.7
85.02876	0.7
89.03902	1.4
91.05460	1.3
93.07008	1.2
95.04933	1.2
95.08575	1.2
97.02876	1.2
97.06516	17.2
105.07007	1.0
107.04955	0.9
107.08590	1.2
109.06453	0.5
109.10145	0.6
111.00766	1.1
111.04395	0.7
111.08059	0.5
114.95258	0.4
117.03371	1.5
117.06961	0.4
117.14381	0.4
119.04944	0.5
119.08581	0.9
121.06472	0.5
121.10133	0.7
123.04417	4.2
123.11713	0.4
125.02355	1.1
127.03877	0.6
129.01828	1.0
131.08516	0.8
133.02827	1.1
133.10071	0.7
134.03632	0.8
135.04401	4.3
135.11617	0.4
136.05237	0.3
137.02390	0.5
137.05951	3.3
139.03883	1.0
143.08530	0.6
145.02831	3.0
145.10114	0.6
147.04379	2.4
147.08049	0.4
147.11682	0.6
149.02332	0.8
151.03874	1.6
153.01805	100.0
154.02167	2.1
157.06509	0.4
157.10161	0.7
159.04376	1.0
159.11671	0.4
161.02335	0.8
163.03880	13.7
163.07564	0.5
163.11182	0.4
164.04227	0.6
166.02592	2.8
171.02864	43.3
172.03252	1.2
173.02248	1.8
173.06017	1.9
177.05386	0.6
179.01801	0.8
179.03368	14.2
185.13293	0.4
187.07466	0.4
189.09105	2.4
189.10771	0.4
203.03401	0.6
213.05550	0.5
215.06996	3.4
215.10564	3.3
231.06364	0.5
233.07935	0.5
233.11626	1.9
241.08604	1.8
259.06104	1.2
259.09647	6.4
269.04407	0.5
270.05292	0.5
271.06006	0.8
287.05438	2.2
288.05939	0.6
289.06744	1.7
299.05453	3.6
325.07141	2.7
325.10535	0.7
341.10147	2.6
343.11783	0.5
349.21518	0.5
367.11697	22.7
367.22360	0.6
368.12076	1.2
385.12781	41.2
385.22861	1.9
386.13110	2.5
399.28278	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15916	0.8
55.01859	3.9
57.03426	2.1
61.02913	3.1
65.03942	0.9
67.05508	1.6
69.03415	1.2
70.06579	2.8
71.01595	2.5
73.02872	1.1
81.03396	1.7
81.07037	1.2
83.01327	1.2
83.04984	2.6
85.02892	6.1
87.00822	3.0
91.05460	3.3
93.07016	1.0
94.79037	1.2
95.04954	1.4
97.02902	2.6
97.25011	1.0
100.61356	1.1
101.02377	2.3
103.05473	3.7
105.07024	3.5
107.04944	1.7
109.02851	1.4
111.04403	1.1
115.05460	3.5
117.07034	2.0
118.04156	3.4
119.03400	6.5
119.04906	2.3
121.02821	2.3
121.06503	1.8
121.10117	1.3
123.04402	2.9
125.05952	1.0
127.03883	1.8
129.06992	1.9
130.04155	1.4
131.04912	18.0
131.08575	1.4
133.06487	4.5
137.05997	1.1
137.09637	1.3
139.03900	2.5
141.06990	9.1
143.03381	3.2
143.04964	1.7
144.05724	2.2
145.04964	1.1
145.06473	3.3
146.03635	3.3
147.04393	3.7
147.08057	2.3
149.02437	1.2
149.05940	1.3
155.07013	1.3
157.02844	2.9
157.06505	4.7
158.07181	1.5
159.04425	3.5
159.08009	2.2
161.05962	11.2
163.03975	1.3
165.05524	2.5
167.06961	5.1
168.05710	1.6
169.06494	8.7
171.04391	3.0
172.05170	2.2
173.06000	4.1
175.03908	3.3
175.07578	1.6
176.04707	4.0
177.05487	2.4
180.07811	5.3
181.04967	2.6
182.05298	1.2
182.09369	1.3
183.08119	1.1
185.05965	3.4
185.15300	1.5
186.06758	5.3
187.03912	11.3
187.07484	5.0
188.04698	2.3
189.01840	3.4
189.05449	10.0
190.06172	1.8
191.07014	24.0
192.07669	1.7
193.08589	3.7
197.05956	8.7
198.06599	1.2
199.03946	2.8
200.04802	2.2
201.05505	2.5
201.09077	2.5
203.03445	2.4
203.07016	2.7
204.04137	11.2
205.04858	2.0
205.08571	4.4
205.12207	4.1
207.06512	2.3
209.07973	1.2
213.05423	3.8
214.06230	4.4
215.06990	14.6
216.04199	1.3
217.04919	6.1
217.08557	2.4
218.05649	3.9
219.06502	21.2
220.06862	2.8
221.04305	1.1
221.08145	2.3
223.13342	8.0
226.06181	1.6
227.06859	1.1
229.08563	7.9
230.05728	1.3
231.06689	5.2
232.07191	2.4
233.08124	3.3
235.05995	3.1
239.07097	1.3
241.04886	1.4
242.05713	4.0
243.06506	9.9
245.04465	9.6
245.08038	6.9
247.09665	9.2
249.07555	2.4
257.08054	15.4
258.08600	1.3
259.05981	1.7
260.06793	25.4
261.07413	2.4
262.04764	3.2
263.05487	2.9
273.07544	5.4
275.09125	100.0
276.09399	5.1
277.07028	16.3
278.07361	1.5
287.05533	8.4
291.08676	2.1
293.09845	1.8
301.07068	5.7
319.08081	17.2
337.09094	11.4
349.09686	1.0
355.10098	1.8
385.18668	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99866	2.2
62.00260	2.0
69.03410	5.8
69.51952	19.3
85.02885	9.8
85.59768	2.4
98.21432	5.9
98.99710	2.2
101.00809	2.9
108.47898	2.4
119.01908	7.8
121.02807	3.1
127.03917	4.2
143.01836	3.3
145.03455	4.6
157.03484	8.2
163.02711	3.2
175.04498	4.6
184.05731	3.3
191.31667	2.6
205.05458	3.3
223.06577	15.7
241.07637	4.7
265.07648	31.4
277.07648	5.0
286.06821	2.5
313.46625	2.4
367.10986	3.7
385.09113	100.0
386.09122	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	385.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87711	1.7
51.42002	2.1
55.01858	4.4
55.05495	3.2
57.03430	3.6
61.02903	3.7
69.03412	4.2
69.85247	10.0
73.02908	2.0
73.06530	2.8
81.03402	2.5
85.02898	10.1
87.04453	3.4
90.05476	2.2
91.05479	4.6
95.04971	3.4
97.02872	6.1
99.04421	2.0
101.02342	2.5
101.05984	7.2
101.06594	2.1
103.05463	5.6
105.07012	25.6
107.04937	2.1
109.02876	3.1
112.05982	2.2
115.05453	10.6
117.07030	2.9
118.04145	4.5
119.03415	5.1
119.04932	2.1
119.07009	3.3
123.04414	4.7
127.03896	4.5
129.05528	2.4
129.06967	1.9
131.04929	19.6
132.05719	2.0
133.06476	27.4
139.03847	2.5
141.06950	7.7
143.03357	3.6
143.04915	3.1
145.04982	3.7
145.06448	5.9
146.03625	2.7
147.04395	4.1
155.04855	3.0
155.07002	4.6
156.05708	2.2
157.02803	2.6
157.06512	4.3
159.04375	4.5
161.04594	3.1
161.05952	52.9
165.05444	2.9
167.07037	18.5
169.06407	8.9
171.04366	4.9
173.05914	6.8
175.03891	4.4
175.07445	2.0
176.04628	4.3
177.05482	4.2
180.07753	5.1
181.04933	3.9
183.06512	3.9
185.05984	3.6
186.06688	4.6
187.03860	10.5
187.07504	2.7
189.01804	2.8
189.05392	12.9
190.06129	3.4
191.07008	28.4
192.07668	3.3
193.08551	37.2
197.05930	11.1
198.06886	2.1
200.04681	3.4
201.05467	4.2
201.09154	4.7
202.07918	2.0
203.07066	4.5
204.04202	9.9
205.04918	2.8
205.08597	6.0
207.06465	4.7
211.07512	2.5
213.05389	3.5
214.06213	3.2
215.06978	13.4
216.04082	2.7
217.04950	7.0
217.08487	3.7
218.05745	2.7
219.06511	20.9
221.08003	2.2
225.05347	2.3
229.04950	3.1
229.08533	6.5
230.05876	2.4
231.06517	7.4
232.07118	5.0
233.04391	4.5
233.08067	7.4
235.06018	4.7
242.05647	3.1
243.06413	9.4
245.04414	7.4
245.08150	5.4
247.05995	3.0
247.09602	7.1
249.07553	5.2
251.09131	12.6
253.07431	3.4
257.08093	14.8
260.06790	21.0
261.07532	6.2
262.04700	2.9
263.05450	2.7
263.09186	4.4
273.07550	5.0
275.09097	100.0
276.09473	3.9
277.07001	15.9
287.05475	6.7
289.06927	2.4
301.07108	6.5
307.08112	2.2
319.08102	14.4
337.08963	9.1
367.10202	2.8
385.11383	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	385.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93670	0.2
59.39992	0.1
60.16476	0.1
69.47154	1.2
69.47568	0.3
82.64597	0.2
82.99862	0.2
98.52499	0.2
98.97595	1.0
101.00828	0.8
104.79539	0.2
116.98598	0.9
119.01913	5.4
120.02015	0.3
122.97803	0.3
134.99660	0.6
135.19246	0.2
137.02927	1.9
138.03001	0.2
140.98737	0.2
142.03462	0.2
153.00850	0.4
158.99908	0.4
177.00946	13.5
178.01018	1.3
182.99904	0.7
183.25951	0.2
193.04024	0.5
195.01987	0.3
195.23283	0.2
200.02657	0.2
201.00937	1.0
216.98943	0.2
217.04070	3.0
218.04070	0.3
218.34755	0.2
219.01997	24.8
220.02133	2.5
221.02333	0.2
225.00838	2.4
226.01186	0.2
235.00023	0.4
236.99745	0.2
242.03639	0.5
243.01973	6.7
244.02078	0.6
259.00000	0.9
260.00122	0.5
261.03049	100.0
262.03189	10.9
263.03262	0.6
264.98999	0.3
266.03540	0.4
276.98087	0.3
277.00961	2.0
278.01111	0.6
279.00760	1.4
282.99951	2.3
284.00113	0.7
284.04636	3.7
284.99954	0.9
285.04907	0.3
301.01056	4.8
302.01202	1.8
303.00833	1.7
304.00836	0.3
319.02240	0.2
324.02740	0.2
325.00964	0.4
343.02094	1.9
344.02087	0.7
360.99576	0.3
361.03467	0.4
362.03287	0.2
367.01996	2.0
368.02307	0.4
374.01541	0.2
385.03183	15.9
386.03339	2.4
403.04468	21.9
404.04648	3.4
408.04660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
53.11432	1.0
55.01852	1.2
55.05496	2.0
57.03425	2.0
57.07057	0.9
57.37512	0.9
59.04994	1.7
65.03955	0.9
65.29278	0.9
66.74487	1.0
67.05501	2.5
69.03408	4.0
69.07066	8.2
70.06553	1.5
71.04983	15.1
71.17263	1.8
78.73220	1.0
79.05490	5.1
81.03397	2.5
81.07049	41.3
83.04974	2.3
84.04484	1.7
85.02892	9.2
87.04456	1.2
91.05466	2.4
93.07053	4.2
95.04941	2.8
95.08592	2.6
97.02875	3.0
97.06521	4.5
99.04395	2.1
99.08092	3.3
101.05982	1.5
105.07036	3.7
107.08591	9.6
109.02900	1.5
109.06507	3.4
109.10141	10.6
111.08113	2.0
111.11733	4.9
113.05945	1.4
119.04948	1.5
119.08575	2.0
121.02868	2.6
121.06524	2.0
121.10120	3.0
123.04427	1.9
123.08033	1.9
123.11690	13.7
125.02073	1.2
127.03899	3.0
133.06453	2.1
133.10114	3.6
135.08084	1.3
139.11139	7.1
145.05014	2.1
145.06400	1.4
145.10126	1.2
147.04396	2.9
151.03918	2.3
151.11171	20.4
157.12222	9.5
159.10193	1.2
161.05983	2.1
163.11224	1.3
165.09088	1.6
167.06993	1.7
169.12231	20.1
187.13284	100.0
188.13571	2.1
201.05399	4.1
205.12257	4.6
205.14343	15.0
208.07991	1.2
208.78687	1.3
216.61691	1.1
222.11351	1.8
223.13316	4.3
231.08937	1.1
238.05237	1.6
255.06651	1.2
349.18433	2.0
384.16116	1.3
384.20660	1.6
385.13959	1.8
385.18744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01869	14.2
55.05510	10.7
57.03429	13.2
57.07062	9.2
59.04985	5.7
59.95211	1.9
61.02925	11.6
65.03929	2.0
67.05497	5.8
69.03425	55.9
69.07061	10.1
69.56300	17.6
70.02931	4.8
70.06583	7.4
71.01385	2.6
71.04981	8.0
72.04511	29.5
72.08123	4.7
73.02919	19.9
73.06552	2.6
74.06081	4.2
78.82355	1.9
79.05480	4.7
81.03416	16.5
81.07027	7.1
83.04971	26.9
84.08148	2.2
85.02903	43.7
85.06524	9.4
86.06052	2.3
86.09699	12.9
87.04444	6.7
87.08088	3.8
89.03910	4.5
89.06022	3.5
90.05553	47.1
91.03951	4.7
91.05482	8.3
93.07019	2.9
95.04981	10.9
95.08589	3.5
97.02905	17.3
98.02422	14.7
98.06059	2.2
98.97582	5.7
99.04449	18.2
99.08068	2.8
100.03949	8.4
101.06006	9.5
103.03933	3.6
103.05433	4.6
103.07602	3.8
105.07018	15.3
107.04935	7.0
107.08578	2.8
109.02879	7.5
109.06535	3.0
110.07127	3.4
111.04443	17.2
112.07589	3.6
113.06008	5.6
115.05459	4.5
116.03437	23.4
116.98624	3.5
117.03410	2.5
117.05544	2.0
117.07005	3.0
119.01922	2.8
119.03438	2.7
119.04928	7.5
119.06944	2.4
120.01924	2.4
120.08107	4.7
121.02859	9.1
121.06479	2.8
123.04395	5.8
123.08031	2.7
124.07584	22.0
125.05949	2.4
126.05444	2.1
127.03928	14.3
129.05486	30.9
130.06508	2.0
130.08673	3.0
131.04919	8.1
131.07005	6.6
132.10176	5.8
133.05026	2.3
133.06471	17.4
134.02721	3.9
135.04431	4.7
136.06183	8.6
136.07579	9.8
138.05508	13.0
139.03877	4.3
141.06981	3.6
142.08669	14.0
145.04951	10.1
145.06587	2.4
147.04399	15.0
147.06566	3.2
148.07523	2.2
148.09628	2.9
149.05966	3.6
151.03865	4.0
152.37865	1.9
157.07616	2.6
158.06012	3.6
159.04465	2.9
159.06335	2.6
160.09683	12.4
161.01270	2.3
161.03044	2.3
161.05965	26.8
162.07776	5.2
163.03899	23.0
163.05966	2.3
165.05411	2.6
165.07474	2.3
166.08549	5.0
167.07039	12.3
169.06461	2.9
169.08603	2.9
169.12213	2.3
173.06013	3.1
173.08086	9.0
174.11284	10.5
175.04042	3.4
175.06184	4.6
175.08727	5.1
180.07806	4.3
183.06470	2.9
184.09680	30.9
187.04002	5.8
187.05975	3.1
187.07555	2.4
187.09592	4.2
187.13304	3.4
189.05707	4.5
189.07587	15.1
191.07022	13.7
193.08620	17.7
197.05959	5.0
201.05783	3.4
201.07576	43.2
201.09329	4.4
202.10741	100.0
203.03835	2.0
203.08244	2.7
203.11053	3.7
204.04234	6.4
204.06548	7.9
204.08415	3.2
204.10132	4.9
205.06926	4.2
205.08653	3.8
205.10643	2.3
207.06529	5.6
207.08640	7.5
208.07292	4.5
211.09605	3.6
215.07010	5.4
217.05006	4.6
218.10155	15.7
219.06503	7.8
219.08640	23.4
220.11761	30.2
221.09116	7.4
221.12132	2.9
222.07613	14.9
222.09537	5.1
222.11336	4.5
229.08548	4.3
231.06558	4.7
233.04446	2.2
233.08209	3.6
235.06216	2.4
236.11327	34.6
237.02856	5.5
238.05321	4.7
243.06546	4.7
245.04581	4.8
245.08203	2.5
246.05324	2.4
247.09634	2.6
251.09029	8.0
252.07391	17.9
254.12270	3.2
257.08133	6.2
260.06787	10.3
261.07669	3.0
273.07709	2.5
275.09100	40.3
277.07047	6.3
287.05661	4.7
291.08624	2.3
298.31622	2.2
301.07300	4.1
319.08136	7.9
324.06143	2.7
330.15073	5.9
337.09085	4.8
348.16534	50.0
366.17560	37.0
384.12003	7.5
384.16336	4.8
385.08017	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	383.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.8
57.03419	3.5
57.07049	3.3
59.05001	2.3
65.03922	2.4
65.43699	1.6
67.05495	42.0
69.07049	14.1
71.04973	3.2
71.62730	1.5
71.63165	2.3
79.05477	18.4
81.07044	52.0
83.08590	6.2
83.17030	1.5
85.06539	24.2
91.05461	25.7
93.06462	2.5
93.07031	43.8
95.04941	5.0
95.08041	3.3
95.08593	42.4
97.06522	16.4
97.10178	2.8
105.07017	55.4
107.08580	44.2
109.06479	6.0
109.09444	2.9
109.10137	36.2
111.08059	13.4
117.07009	8.9
119.08566	69.7
120.08803	2.5
121.06461	5.8
121.10130	30.8
123.08044	11.9
123.11666	11.4
125.09618	2.5
128.06198	3.8
129.06969	7.3
130.07805	2.2
131.08540	27.8
133.10117	43.0
135.08022	7.2
135.11682	19.4
137.09596	7.2
142.07695	4.2
143.08559	17.2
144.09323	4.0
145.10098	34.1
147.08018	5.5
147.11656	36.0
149.09593	6.1
149.13231	23.5
151.07593	2.3
151.11125	2.1
155.08530	6.5
155.10675	1.8
156.09291	5.9
157.10078	21.8
159.08061	1.7
159.11681	37.5
159.12970	2.2
161.09612	11.9
161.13226	41.0
163.11119	7.8
163.14809	9.5
165.12688	5.0
169.10139	7.2
171.11649	15.8
173.09546	3.3
173.11716	8.9
173.13232	26.3
175.11130	8.4
175.14798	29.3
177.12778	9.5
177.16302	3.9
179.14307	3.5
181.10121	2.8
183.11653	5.6
185.13208	15.4
187.11160	5.7
187.14764	18.6
189.12737	31.2
189.16354	6.8
190.13399	2.6
191.14217	11.2
195.11676	3.2
197.13252	8.7
199.14783	13.7
201.12766	7.7
201.16357	6.8
203.14285	14.5
203.17812	3.4
205.15923	4.7
207.13837	1.8
209.13300	3.8
209.91447	1.9
211.14828	4.1
213.16336	6.5
215.14288	8.2
215.17937	4.7
217.15878	8.7
221.15379	4.8
223.14757	3.6
225.16389	4.5
227.17860	4.2
229.15804	3.1
241.19545	2.0
243.17482	2.0
251.17880	2.1
253.19493	2.6
255.17390	2.5
259.20181	2.4
309.22192	3.0
309.25565	2.8
337.28864	3.0
347.27390	12.8
361.65396	1.7
365.28326	57.3
365.31812	2.2
366.28760	3.7
383.24765	15.8
383.29391	100.0
384.29681	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2935
Annotation	Jaspaquinol
Peak:m/z	Relative Intensity
50.92669	1.0
53.03936	1.4
55.05502	10.0
57.03420	1.9
57.07054	2.6
59.04993	2.1
62.59196	1.2
64.17545	1.2
65.03931	1.9
66.36479	1.2
67.05495	55.3
68.05831	1.2
69.07056	12.9
71.04990	2.3
71.88803	1.1
79.05470	10.2
81.07045	52.5
83.08605	7.0
85.06531	1.9
91.05466	16.7
93.07032	31.0
93.07615	2.3
95.04924	2.6
95.08589	44.8
97.06503	1.2
97.10162	3.8
105.07013	46.8
107.04922	1.5
107.07851	2.5
107.08572	39.5
109.06503	2.2
109.10137	46.7
111.08071	1.8
117.07004	4.3
119.08559	48.9
121.06474	1.3
121.10123	21.2
123.08071	1.7
123.11720	6.0
125.05972	1.3
125.09621	1.6
129.06993	2.6
131.08569	7.3
132.09311	1.3
133.10103	28.4
133.11069	2.3
135.11674	9.6
137.13257	1.5
143.08536	4.9
145.10085	10.7
147.11653	19.5
149.12006	2.6
149.13228	53.1
153.09059	2.6
155.10626	1.6
157.10080	7.6
159.11682	17.4
161.13234	89.2
162.13602	2.5
163.07561	1.3
163.14806	15.6
169.10078	1.7
171.11653	10.6
173.11716	13.1
173.13243	6.2
175.11194	2.6
175.14803	57.8
176.15135	1.8
177.16350	19.7
183.11700	2.3
185.13278	5.4
187.14758	3.7
189.16339	28.2
190.16789	1.4
191.17961	3.3
192.99736	1.4
193.15858	4.2
197.13217	3.2
199.14818	3.9
201.16376	3.9
203.14223	1.2
213.12714	1.6
213.16338	6.3
215.18013	3.6
221.15315	11.1
227.17859	3.2
229.14226	1.3
235.16911	3.4
237.16290	1.3
241.19463	27.4
242.19804	1.5
243.13606	1.4
253.19511	1.4
255.01653	2.5
255.21016	3.4
267.21017	4.5
273.18283	1.2
281.22522	1.3
283.17084	1.5
301.21552	4.2
313.21613	2.2
325.21524	1.9
337.28848	47.7
338.29031	1.7
365.28564	2.2
383.24478	26.1
383.29373	100.0
384.25159	2.5
384.29749	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03938	4.7
55.05500	21.3
56.96551	5.1
57.03414	2.3
57.07059	10.7
59.04988	6.6
67.05497	41.2
67.05832	4.9
69.03414	12.7
69.07042	11.8
69.27992	26.7
71.04977	5.3
71.08595	3.0
79.05486	26.2
81.07042	43.7
83.04961	8.6
83.08601	5.2
85.06525	9.5
91.05473	45.5
93.07031	94.0
94.07372	2.6
95.04955	32.6
95.08593	52.3
96.08955	2.5
97.06519	13.4
97.10246	2.9
98.20767	5.8
103.05443	2.5
105.07019	79.9
107.08586	48.8
109.06509	26.2
109.10153	37.8
111.08108	12.1
115.05437	4.5
117.07030	17.2
119.08566	62.2
120.09380	3.9
121.06512	13.8
121.10123	46.6
123.08058	22.2
123.11648	5.3
128.06230	7.6
129.06979	16.0
130.07747	2.8
131.08548	27.7
133.06491	7.0
133.10118	30.5
135.08073	26.9
135.11693	10.4
137.05977	3.9
137.09618	11.1
137.13208	2.5
141.06987	3.0
142.07790	17.6
143.08546	20.1
144.09315	7.6
145.10107	38.2
146.07158	3.4
147.08009	25.6
147.11690	21.8
148.08788	7.9
149.09601	32.2
149.13251	5.3
151.07523	33.5
153.09138	4.0
155.08539	6.4
156.09334	6.6
157.10098	39.8
158.10745	4.7
159.08051	8.1
159.11664	23.3
160.08813	2.9
161.09592	23.7
161.13237	12.4
163.11157	6.5
165.09084	39.5
169.10103	8.0
170.10873	6.3
171.11649	9.8
173.09572	10.0
173.13220	12.8
175.11153	22.4
175.14859	10.0
177.09088	10.4
178.09848	4.2
181.10168	3.6
183.11697	5.9
184.90277	2.9
185.13200	18.1
187.11104	8.0
187.14825	6.1
189.12709	11.4
189.16365	3.5
190.84033	2.5
191.14333	3.3
195.11707	5.8
197.13309	6.0
199.11198	3.8
199.14821	5.7
201.12717	11.6
203.14270	27.7
207.11702	4.8
207.13773	9.9
209.13225	9.0
209.15387	7.1
211.11040	4.2
213.12686	5.7
213.16312	2.8
215.14259	6.3
216.14879	3.1
217.12151	3.3
219.13725	8.4
221.13351	4.1
221.15332	91.1
223.14917	5.1
225.12866	6.4
225.16376	6.9
227.14278	8.2
231.13687	2.9
233.15392	5.7
234.16081	19.7
239.17934	3.0
241.15862	4.6
262.06778	2.7
265.16040	2.6
281.19049	5.5
286.19293	4.3
287.20065	9.5
299.20090	7.6
303.19519	12.3
342.64423	2.2
347.23682	5.8
352.29730	2.7
365.24741	18.9
383.25690	100.0
383.29642	7.9
383.36652	5.8
384.26047	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	383.2573
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03927	5.7
55.01851	4.4
55.05500	22.1
56.37545	2.6
57.03415	4.1
57.07060	10.6
57.12664	2.6
59.04995	6.4
65.03940	3.4
67.05494	80.9
68.45763	2.3
69.03409	14.5
69.07045	16.5
71.04987	8.8
71.62978	3.7
73.64948	2.7
79.05477	27.3
81.07039	56.7
83.04975	8.8
83.08611	11.5
85.06538	7.5
86.09695	3.3
91.05467	44.5
93.07030	85.1
95.00981	2.6
95.04959	30.9
95.08587	58.5
97.06506	18.6
97.10151	4.1
100.81680	2.4
103.05467	4.5
105.07017	79.5
107.08582	49.7
109.06502	19.6
109.10146	61.4
111.08054	12.7
113.09645	4.2
115.05468	5.2
117.07003	17.0
119.08562	65.2
120.09480	2.6
121.06480	16.6
121.10124	52.7
121.58217	2.5
123.08046	23.5
123.11656	4.3
125.09642	2.7
128.06206	10.0
129.06956	13.4
130.07811	4.4
131.08559	33.2
133.06496	6.2
133.10101	37.5
135.08026	25.6
135.11673	16.7
137.05940	3.8
137.09633	10.4
142.07758	19.4
143.08533	27.4
144.09349	5.8
145.06554	5.5
145.10104	46.8
146.07234	3.2
147.08047	18.5
147.11668	26.7
147.50598	2.9
149.09595	25.9
149.13261	11.5
151.07520	27.5
153.09064	3.5
155.08580	9.0
155.10690	5.9
156.09360	9.6
157.10107	39.5
158.10867	3.7
159.08086	9.5
159.11673	26.5
161.09602	23.8
161.13248	17.7
163.11156	10.1
165.09074	21.8
167.08542	4.7
169.10126	9.0
170.10889	6.2
171.11658	19.9
173.09648	10.6
173.11739	12.4
173.13307	13.0
174.10384	3.4
175.11160	15.6
175.14850	15.1
176.15166	3.7
177.09091	6.8
179.14275	2.7
181.10011	3.4
181.12241	3.4
183.11699	8.6
185.09598	3.9
185.13272	14.7
187.11198	8.8
187.14798	12.3
189.12692	17.7
189.16365	4.6
191.14258	5.1
195.11731	8.5
197.13290	11.0
199.11229	3.9
199.14896	5.0
201.12733	8.7
201.16531	4.1
203.14333	22.7
207.13838	8.4
209.13330	10.8
209.15262	4.7
211.11096	5.0
211.14839	4.4
213.12766	7.7
213.16382	5.1
215.14227	17.9
219.13828	4.3
221.13289	4.4
221.15308	67.0
223.14847	4.9
225.12804	2.9
227.14334	11.4
231.13879	3.3
233.15411	7.9
234.16162	11.5
239.17894	3.6
241.15991	3.1
253.16089	2.6
271.16891	3.3
274.19479	3.3
281.19073	4.9
287.20108	7.2
295.80746	3.0
299.20090	7.0
303.19626	8.3
309.18518	3.3
347.23663	2.8
365.24557	15.5
365.28552	6.8
383.25525	100.0
383.29691	12.5
383.36807	5.7
384.26151	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	383.2574
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03925	5.3
55.01849	3.9
55.05506	21.8
57.03424	3.0
57.07058	10.7
59.04978	8.9
67.05490	46.5
69.03419	16.4
69.07066	15.9
69.50569	19.2
71.04964	6.9
71.08645	2.7
79.05479	29.9
81.03410	3.0
81.07041	49.8
83.04948	8.7
83.08595	6.0
85.06530	13.2
87.35612	2.6
91.05458	37.4
93.07026	88.6
95.04955	30.1
95.08587	46.3
96.08895	2.8
97.06506	12.4
97.10181	3.7
98.20794	6.3
105.07010	81.0
107.08570	44.1
109.06501	24.2
109.10133	33.9
111.04437	3.4
111.08064	10.9
116.06201	3.4
117.06995	15.9
119.08571	64.1
121.06523	15.2
121.10116	53.5
123.08041	28.8
123.11665	5.2
125.09569	3.6
128.06190	9.2
129.06972	13.2
130.07811	3.3
131.08551	34.1
133.06499	7.8
133.10101	38.6
135.08028	25.8
135.11644	10.4
137.09637	13.4
141.06970	6.2
142.07736	19.3
143.08543	24.3
144.09300	6.2
145.10091	38.7
146.07217	3.0
147.08022	20.2
147.11658	20.9
149.09601	26.4
149.13242	5.1
151.07503	23.3
155.08484	7.6
156.09322	8.2
157.08942	3.3
157.10107	38.0
159.08070	5.5
159.11623	21.8
161.09608	21.4
161.13179	10.1
163.11131	7.9
163.14798	3.3
165.09093	39.0
169.10056	7.3
170.10878	7.4
171.11652	11.0
173.09599	7.4
173.13206	8.0
175.11171	20.3
175.14766	10.0
177.09134	12.8
177.12802	4.1
179.08492	4.2
181.10089	3.1
183.11644	7.6
185.13202	11.3
187.11118	8.8
187.14819	4.1
189.12750	14.6
191.14297	3.7
194.10828	4.9
195.11658	8.3
197.13237	9.3
199.11101	5.5
199.14812	5.0
201.09052	3.2
201.12724	10.9
203.14267	31.9
207.11786	3.4
207.13733	11.2
209.13342	5.8
209.15359	7.5
213.12889	4.6
215.14366	7.6
216.15048	4.4
219.13763	3.7
221.13692	3.7
221.15326	100.0
222.15514	4.1
225.12711	4.3
225.16333	4.6
227.14314	6.9
227.17906	3.2
233.15453	6.1
234.16106	15.1
281.18912	4.3
286.19183	3.0
287.19980	10.7
299.19925	4.9
303.19504	9.9
309.18338	4.3
327.18845	2.6
365.24554	18.9
365.28467	3.6
380.40363	2.6
383.25607	98.2
383.29703	11.2
384.26004	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01836	0.4
55.05498	8.9
57.03426	2.4
57.07057	1.6
59.04991	5.2
65.03925	2.2
67.05489	100.0
68.05818	1.3
69.03402	0.7
69.07053	3.8
71.04985	3.3
71.63016	0.8
73.02902	0.4
79.05471	4.1
81.07037	17.3
83.08605	6.3
85.06522	2.9
91.05460	7.4
93.07029	5.5
95.04973	0.9
95.08590	8.1
96.77835	0.4
97.06485	1.1
97.10129	0.3
99.08029	0.4
105.06988	3.6
107.08550	4.8
109.06496	0.9
109.10133	81.8
110.10467	1.2
111.08059	3.5
117.06982	0.9
119.07773	0.8
119.08553	9.1
119.09342	0.7
121.10110	1.9
123.08060	0.6
123.11652	1.2
125.09538	0.8
127.11189	0.4
129.06992	0.9
131.08557	2.3
133.10088	2.4
135.11662	1.1
137.09560	4.4
143.08549	1.5
145.10133	2.3
147.11649	2.3
149.09593	0.5
149.13188	1.9
155.08621	0.5
155.10606	3.9
157.10083	1.7
159.11710	2.0
161.13194	2.7
163.11180	0.6
163.14801	0.8
165.12492	0.5
171.11612	0.9
173.11710	31.5
173.13074	1.2
174.12000	0.9
175.11096	1.0
175.14702	2.2
177.12701	0.4
177.16420	0.6
181.10074	0.4
183.11601	0.8
185.13243	0.8
187.14824	1.2
189.12653	0.6
189.16498	0.4
193.10036	0.4
195.11685	0.7
197.13171	0.8
199.14699	0.7
199.41911	0.4
201.16338	0.5
211.14925	0.5
213.16348	0.6
227.17609	0.4
231.13622	0.5
241.19545	0.6
243.13876	0.6
253.19443	0.4
258.67688	0.4
325.21655	0.8
337.28793	0.8
365.24597	1.3
365.28378	1.0
375.18732	0.5
383.24252	59.4
383.29315	3.2
384.24594	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01852	10.6
55.05504	19.8
57.03423	12.2
57.07065	6.4
61.02918	7.6
64.83395	2.9
67.05503	31.5
69.03427	37.4
69.07055	23.0
70.77823	9.2
71.01344	6.1
71.04980	50.1
73.02898	10.7
79.05494	17.3
81.03408	28.6
81.07049	76.2
83.04976	9.7
83.08598	11.0
85.02891	51.1
85.06499	8.1
87.04460	3.7
91.05477	32.4
93.07041	52.7
95.04949	17.5
95.08598	68.4
97.02885	18.1
97.06519	9.7
97.10167	7.0
99.04439	7.4
99.08044	4.3
103.03930	11.2
105.07015	73.2
107.04934	3.9
107.08576	49.8
109.02847	7.9
109.06525	15.2
109.10137	49.8
111.04426	9.2
111.08084	8.3
115.03891	8.0
115.05460	5.2
117.07010	16.0
119.08572	100.0
120.08892	4.3
121.06506	7.2
121.10133	53.3
123.08041	18.3
123.11690	26.9
125.09599	10.3
127.03888	5.9
127.11172	32.6
128.06223	6.1
129.05449	7.5
129.06992	12.9
131.08528	25.8
133.04955	4.4
133.06419	3.8
133.10085	38.5
135.08054	9.8
135.11661	31.8
137.05971	6.4
137.09639	17.0
137.13242	6.7
139.11107	5.5
141.06934	3.9
142.07724	7.2
143.08502	18.8
143.10617	4.3
145.04915	4.9
145.06479	5.5
145.10098	42.5
147.04399	5.1
147.08046	7.4
147.11668	43.2
149.09641	3.8
149.13217	18.9
151.11160	9.5
153.09073	3.4
153.12767	6.6
155.08527	10.7
156.09343	6.2
157.10097	43.2
159.08060	4.6
159.11665	65.1
161.09599	9.7
161.13255	21.7
163.11177	9.6
163.14865	4.7
165.09079	3.8
165.12691	6.0
169.10109	12.9
171.08028	3.5
171.11659	22.1
173.09627	6.2
173.13274	14.9
175.11200	9.1
175.14835	12.3
177.05553	3.6
177.12810	8.5
177.16365	5.3
178.06262	3.5
181.10150	7.8
182.11061	4.1
183.11656	13.9
185.13298	13.4
187.14796	8.0
189.09097	5.3
189.12755	11.0
189.16388	10.0
190.06189	11.1
191.14383	4.5
193.08604	5.9
193.12155	3.9
193.15891	4.6
195.11710	8.3
197.13269	11.0
199.14827	6.7
201.12766	12.3
201.16380	11.9
203.14293	8.1
203.17950	33.4
205.12236	5.0
206.05641	5.4
207.11658	7.8
213.12766	8.3
213.16338	7.7
215.17868	8.0
217.10498	4.3
219.13803	5.6
219.17393	11.6
221.08096	47.9
221.15352	8.2
221.18919	24.0
225.12737	11.4
227.17929	6.0
229.15860	4.8
231.17419	9.9
233.18991	17.5
241.15904	5.2
243.13760	7.3
243.17561	5.3
245.19048	18.8
253.14539	4.1
257.19049	4.9
259.17010	4.6
261.14758	9.8
263.20004	7.4
275.20029	4.1
287.20056	6.9
299.20090	7.0
305.21091	4.8
311.20026	13.6
329.20999	20.3
347.22137	24.8
365.12445	12.7
365.23239	15.4
383.24493	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	383.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01863	9.0
55.05501	26.0
57.03423	12.5
57.07063	7.6
58.42390	3.4
59.04970	3.5
61.02909	13.5
67.05497	38.1
69.03419	47.2
69.07053	29.9
70.76305	10.9
71.01357	4.1
71.04986	50.0
73.02886	10.9
73.06547	3.2
76.88715	3.3
79.05477	32.5
81.03402	33.8
81.07044	100.0
83.04965	15.4
83.08605	12.9
85.02892	56.4
85.06512	6.0
87.04455	4.7
91.05040	3.2
91.05472	35.0
93.07027	80.1
95.04954	27.6
95.08594	84.0
97.02850	22.8
97.06525	20.7
97.10162	8.9
99.04437	12.4
99.08084	6.4
101.05980	3.8
103.03922	11.3
105.07018	87.7
107.04902	7.8
107.08574	78.9
109.02853	8.8
109.06473	25.5
109.10136	67.9
111.04412	10.2
111.08062	13.3
111.11665	3.8
113.09608	4.2
115.03917	7.6
117.06997	14.3
119.04917	3.4
119.08559	94.3
121.06481	15.1
121.10117	62.3
123.04405	13.9
123.08057	25.0
123.11681	20.7
125.05909	5.0
125.09598	16.9
126.82309	3.3
127.03890	11.6
127.07607	4.7
127.11148	29.2
128.06229	6.7
129.05429	6.0
129.06987	9.6
131.08557	40.7
133.04910	7.2
133.06479	7.8
133.10115	61.5
135.08015	12.9
135.11671	60.8
137.05914	5.3
137.09619	11.8
137.13216	9.2
139.11172	6.9
141.06955	5.0
142.07779	9.3
143.08542	21.5
144.09294	7.9
145.04965	3.9
145.10083	52.8
146.10500	3.6
147.04335	4.7
147.08073	11.6
147.11655	59.1
149.09584	8.1
149.13248	17.5
151.07602	3.6
151.11157	11.1
153.12709	11.6
155.07066	4.0
155.08499	9.9
156.09383	5.5
157.10097	40.4
159.08057	6.5
159.11664	59.1
161.09596	11.1
161.13200	29.3
163.11127	8.3
163.14819	5.5
165.09128	4.7
165.12813	6.7
167.10541	4.0
169.10083	9.9
170.42726	3.4
171.11665	29.9
173.09633	6.7
173.13257	19.9
175.11169	9.8
175.14696	15.6
177.09117	4.3
177.12708	10.0
177.16360	9.4
181.10060	7.1
183.11670	11.8
185.09589	4.0
185.13203	12.0
187.11148	8.3
187.14803	12.9
189.09068	4.2
189.12738	10.9
189.16356	27.3
191.14243	4.8
193.15869	10.9
195.11734	10.1
195.17320	3.8
197.13252	9.6
199.11249	5.9
199.14888	4.3
201.12706	15.0
201.16327	16.3
203.14279	7.0
203.17950	28.4
205.15881	7.6
207.10030	5.0
207.11794	7.9
207.17448	3.2
209.13255	5.8
213.12671	5.9
213.16324	10.5
215.17940	13.0
217.15810	4.6
219.17384	8.3
221.07977	16.8
221.15335	5.2
221.18915	16.0
223.14870	5.7
225.12727	10.4
225.16405	4.9
227.17902	14.9
228.48059	3.7
229.15729	4.7
231.17430	12.6
233.18973	13.4
241.15750	3.9
243.13869	5.8
243.17401	4.1
245.18909	18.7
248.53188	3.5
257.18912	4.9
261.14792	8.7
263.19955	9.2
269.18854	4.1
279.15823	3.9
287.20032	7.8
297.17023	4.9
299.20078	3.8
305.21097	5.4
311.20038	17.2
329.21097	18.1
347.22159	21.3
353.10239	3.4
365.23224	27.3
383.10959	8.6
383.24265	45.0
383.84052	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	3.9
53.03933	8.2
55.01865	10.6
55.05505	19.1
57.03430	18.8
57.07067	4.5
59.04994	5.8
61.02910	13.1
67.05495	35.6
69.03417	52.7
69.07047	24.2
70.53612	13.3
71.04978	75.1
73.02904	14.6
79.05476	29.3
81.03400	40.3
81.07038	98.2
83.04963	16.9
83.08605	11.9
85.02888	69.3
85.06518	5.7
87.04459	5.5
91.05462	40.8
93.07019	81.4
95.04962	28.9
95.08591	73.1
97.02888	36.4
97.06518	17.6
97.10155	5.1
98.21368	4.4
99.04446	5.7
99.08087	6.3
103.03936	16.5
105.07001	100.0
105.07658	5.6
107.04898	8.1
107.08572	81.1
109.02839	11.2
109.06500	18.2
109.10132	69.9
111.04417	27.3
111.08062	9.7
115.03908	9.3
115.05415	4.7
117.07003	20.8
118.11836	3.8
119.08560	94.5
121.06486	13.6
121.10124	72.4
123.04397	11.3
123.08047	16.2
123.11673	28.2
125.05978	4.6
125.09596	25.0
127.03893	13.0
127.11163	43.1
128.06227	8.1
129.05469	4.2
129.06987	13.8
130.07809	4.4
131.08566	38.2
133.10109	68.3
135.04366	4.7
135.08032	15.0
135.11653	52.6
137.09604	11.6
137.13214	4.5
139.07535	9.6
139.11110	4.3
141.05373	4.9
141.06946	6.3
142.07735	6.7
143.08542	27.6
143.10655	7.8
144.09302	8.5
145.04996	7.0
145.06425	5.1
145.10091	58.1
147.08041	9.5
147.11656	59.3
149.09596	9.0
149.13240	21.8
151.07446	5.6
151.11179	11.7
153.12718	16.9
155.08583	11.6
156.09348	4.9
157.06526	4.7
157.10081	38.2
159.07999	7.5
159.11671	70.9
160.12117	3.9
161.09622	14.8
161.13203	34.5
163.11142	9.5
163.14827	10.0
165.12860	6.0
169.10101	11.8
171.07974	6.2
171.11670	23.3
173.13225	29.7
175.11220	9.2
175.14821	13.8
177.09109	5.0
177.12743	13.2
177.16333	8.7
179.08499	4.4
183.11685	16.2
185.13255	15.5
187.11209	7.0
187.14816	14.6
189.10994	3.8
189.12708	11.7
189.16319	36.2
191.14339	7.6
193.15900	10.0
195.11737	6.5
197.13235	15.5
199.11227	4.3
199.14708	6.7
201.12755	9.6
201.16359	22.1
203.14258	7.2
203.17908	21.2
204.18262	4.4
207.11838	6.0
207.17484	5.2
213.12718	8.4
213.16273	9.4
215.14346	5.7
215.17929	8.0
217.10684	18.1
219.17369	12.8
221.15526	4.3
221.19020	11.4
223.14900	6.1
225.12704	11.6
227.18022	10.7
231.17525	8.8
233.19020	5.2
239.17743	4.2
241.15811	4.6
241.51169	4.4
243.13687	6.3
245.18933	21.0
257.18875	7.4
259.16818	5.6
261.14807	7.9
261.18533	4.8
263.20120	17.1
269.18893	8.3
275.20157	5.3
279.15753	5.9
287.20047	10.5
297.16861	7.3
299.20074	8.4
305.21124	9.0
311.19986	21.6
329.21042	20.5
347.22144	19.4
365.23102	29.4
383.10760	4.5
383.24329	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	383.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01849	4.9
55.05506	12.8
57.03424	8.0
57.07067	3.5
59.04970	2.2
61.02908	6.1
65.03916	2.2
67.05495	18.2
67.99374	1.4
69.03067	1.8
69.03419	20.7
69.07060	12.9
69.82424	8.6
71.01322	2.7
71.04970	4.8
71.08607	2.6
73.02898	5.4
79.05476	12.9
81.03404	13.0
81.07040	63.0
82.07344	1.8
82.37181	1.3
83.04949	4.5
83.08599	6.4
85.02888	46.6
85.06530	2.8
87.04471	2.8
91.03962	1.5
91.05462	15.9
93.07028	59.4
95.04942	8.1
95.08592	48.2
97.02866	16.0
97.06504	9.1
97.10182	2.4
99.04435	5.2
99.08089	1.5
101.02379	2.8
101.06039	1.4
103.03912	2.9
103.05483	1.6
105.07017	50.8
107.08577	52.1
109.02862	6.3
109.06509	6.3
109.10132	36.8
111.04436	3.5
111.08046	3.9
115.03941	2.0
115.37117	1.2
117.06979	3.7
119.08559	52.8
121.06482	2.7
121.10120	30.9
123.04395	1.7
123.08047	5.8
123.11687	16.6
125.05972	1.8
125.09620	2.2
127.03892	8.8
127.11205	1.5
129.05412	2.3
129.06996	2.0
131.08540	12.8
133.04962	3.0
133.06479	2.1
133.10112	32.2
135.08040	2.4
135.11652	17.3
136.89418	1.5
137.09618	1.7
139.07565	1.8
142.07785	1.7
143.08533	6.0
145.04927	9.0
145.10083	19.4
147.08095	2.1
147.11659	44.1
149.09573	2.0
149.13271	10.6
151.11151	23.6
155.08553	2.5
157.10052	8.6
158.10770	1.4
159.11664	15.4
161.13237	16.5
163.11169	3.8
163.14769	19.0
165.09137	1.7
165.12701	3.0
169.10100	4.1
171.08353	1.5
171.11623	7.8
173.13251	15.7
175.11284	1.9
175.14795	35.5
176.14986	1.4
177.16389	2.5
183.11720	4.0
185.13246	4.1
187.14813	5.1
188.06812	1.5
189.09018	1.5
189.12761	1.6
189.16301	7.1
195.11656	2.9
197.13287	2.0
199.09608	1.7
199.14807	4.6
201.16362	16.1
203.17924	100.0
204.18236	2.7
205.19501	2.5
209.13362	1.8
213.16354	6.5
215.17868	5.1
216.15396	1.4
217.15814	1.5
219.17374	3.0
221.08015	4.2
221.18987	17.8
225.16318	3.2
227.17920	7.3
229.15706	2.1
231.17471	7.4
233.18953	4.2
239.17873	2.8
245.18962	6.0
257.18951	2.2
261.18475	4.2
269.18997	3.2
275.20187	3.2
287.19882	2.4
299.20071	4.6
311.20120	6.8
317.20938	2.4
329.21045	16.8
347.22150	19.1
365.23184	13.5
383.11050	1.8
383.24274	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	383.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14705	0.5
53.03938	1.0
55.01849	1.2
55.05490	2.1
57.03425	1.6
57.07067	3.9
59.04980	1.2
60.04520	2.7
61.02910	1.3
62.54957	0.6
67.05505	3.4
67.75632	0.5
69.03432	3.2
69.07059	3.6
69.87856	0.8
69.88264	2.7
70.03732	0.6
70.06593	1.2
71.04588	0.9
71.04984	14.3
73.02905	0.7
73.06547	0.9
79.05479	1.7
81.03391	1.3
81.07050	10.3
83.04968	1.5
83.08608	2.1
83.31999	0.6
85.02895	8.0
85.06537	2.5
86.03210	0.7
87.04459	0.9
91.03918	0.6
91.05451	1.5
93.07025	8.9
94.07420	0.7
95.04934	1.0
95.08591	10.5
97.02892	3.4
97.06511	1.6
97.10172	0.8
98.97569	0.7
99.04452	1.1
99.08085	6.0
101.05994	1.2
105.07011	1.2
106.07283	0.6
107.07862	0.9
107.08578	11.3
108.08929	0.6
109.02863	0.8
109.06487	1.4
109.10146	6.7
111.08063	1.5
119.04901	1.5
121.02863	1.0
121.06477	0.8
121.10133	6.1
123.11708	6.3
125.09634	1.2
127.03880	2.1
131.07001	0.6
136.06183	4.8
137.06624	1.3
145.04944	2.5
147.04385	3.2
148.06229	0.8
149.13242	14.6
151.11171	1.1
160.08719	1.5
165.05513	0.7
167.06982	0.6
167.14301	12.4
168.10980	1.5
169.08649	0.6
169.12189	3.4
176.96906	0.9
177.00227	0.6
181.04889	1.5
181.71931	0.5
185.11797	2.0
185.15349	100.0
186.08440	0.8
186.12056	1.3
186.15668	2.4
186.96837	0.7
187.13263	1.5
202.10934	1.6
203.11165	2.2
203.14394	0.8
203.16399	14.8
208.07336	1.1
211.30394	0.6
217.04857	0.9
220.11938	1.3
220.98973	1.0
221.12241	3.1
234.99103	0.8
238.05348	0.7
265.06635	0.8
297.14417	0.8
337.62350	0.5
353.07565	0.8
365.27353	1.1
375.32675	0.6
383.13608	2.9
383.17715	3.0
383.22403	0.5
383.28107	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14705	0.5
53.03938	1.0
55.01849	1.2
55.05490	2.1
57.03425	1.6
57.07067	3.9
59.04980	1.2
60.04520	2.7
61.02910	1.3
62.54957	0.6
67.05505	3.4
67.75632	0.5
69.03432	3.2
69.07059	3.6
69.87856	0.8
69.88264	2.7
70.03732	0.6
70.06593	1.2
71.04588	0.9
71.04984	14.3
73.02905	0.7
73.06547	0.9
79.05479	1.7
81.03391	1.3
81.07050	10.3
83.04968	1.5
83.08608	2.1
83.31999	0.6
85.02895	8.0
85.06537	2.5
86.03210	0.7
87.04459	0.9
91.03918	0.6
91.05451	1.5
93.07025	8.9
94.07420	0.7
95.04934	1.0
95.08591	10.5
97.02892	3.4
97.06511	1.6
97.10172	0.8
98.97569	0.7
99.04452	1.1
99.08085	6.0
101.05994	1.2
105.07011	1.2
106.07283	0.6
107.07862	0.9
107.08578	11.3
108.08929	0.6
109.02863	0.8
109.06487	1.4
109.10146	6.7
111.08063	1.5
119.04901	1.5
121.02863	1.0
121.06477	0.8
121.10133	6.1
123.11708	6.3
125.09634	1.2
127.03880	2.1
131.07001	0.6
136.06183	4.8
137.06624	1.3
145.04944	2.5
147.04385	3.2
148.06229	0.8
149.13242	14.6
151.11171	1.1
160.08719	1.5
165.05513	0.7
167.06982	0.6
167.14301	12.4
168.10980	1.5
169.08649	0.6
169.12189	3.4
176.96906	0.9
177.00227	0.6
181.04889	1.5
181.71931	0.5
185.11797	2.0
185.15349	100.0
186.08440	0.8
186.12056	1.3
186.15668	2.4
186.96837	0.7
187.13263	1.5
202.10934	1.6
203.11165	2.2
203.14394	0.8
203.16399	14.8
208.07336	1.1
211.30394	0.6
217.04857	0.9
220.11938	1.3
220.98973	1.0
221.12241	3.1
234.99103	0.8
238.05348	0.7
265.06635	0.8
297.14417	0.8
337.62350	0.5
353.07565	0.8
365.27353	1.1
375.32675	0.6
383.13608	2.9
383.17715	3.0
383.22403	0.5
383.28107	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17127	1.7
55.01858	4.0
55.55398	1.5
57.03432	8.1
60.28537	1.5
61.02921	11.0
65.03931	2.0
69.03420	24.8
70.02914	2.3
70.06575	2.3
70.12588	1.8
70.12858	7.8
71.04976	2.8
73.02900	6.3
73.06538	1.8
74.02440	2.6
79.05450	1.6
81.03416	13.3
85.02893	56.1
85.06535	1.9
86.09666	2.5
87.04459	2.7
91.03937	3.8
91.05456	5.5
94.06544	4.1
97.02286	1.9
97.02879	26.0
98.03168	1.6
99.04431	4.8
99.08071	1.7
101.00867	5.3
103.03931	3.2
106.01490	1.8
107.04959	2.0
109.02868	7.8
110.07138	2.8
111.04443	2.9
115.03927	2.0
116.98586	2.5
117.05707	1.9
118.06502	6.8
119.01909	21.5
119.04921	4.6
121.02842	20.0
121.06461	6.3
127.03899	13.6
130.06502	58.2
131.01877	6.7
132.04431	17.3
132.08035	5.1
133.03421	4.3
134.05971	1.9
135.04366	2.6
137.02924	3.8
137.05939	5.7
138.09100	1.8
142.06534	3.0
143.01871	7.6
143.07295	2.5
144.01984	2.6
144.06921	2.2
144.08052	27.1
145.03481	10.0
145.04955	6.4
145.07573	17.3
146.05969	15.9
147.03296	2.8
147.04361	16.3
148.04752	3.6
148.07530	5.6
154.06512	6.6
155.01846	4.1
156.08051	4.2
157.03427	8.6
157.07599	56.8
158.03723	2.1
158.05997	52.3
158.07976	2.7
159.03117	2.3
159.09160	7.6
160.07558	4.8
161.02962	12.5
161.05891	2.3
162.09091	1.7
163.02704	2.6
163.03934	9.1
167.07021	2.9
169.07590	7.6
170.05981	3.8
170.07910	3.3
171.09138	8.0
172.07484	10.7
173.02887	8.0
173.06702	1.7
174.05458	6.3
175.04437	4.2
175.08653	61.6
176.06970	3.8
181.07527	4.0
182.05910	2.0
182.08388	3.6
183.09128	15.6
184.06009	3.1
184.07588	4.2
184.55811	2.4
185.02911	6.0
185.07076	14.5
186.05518	3.8
187.04492	3.3
187.08685	2.1
190.08630	2.0
196.04414	1.8
197.02956	11.9
199.07076	1.7
199.08611	11.3
200.07013	18.0
201.10135	2.3
202.10570	1.7
203.04015	4.7
203.08122	100.0
204.06520	4.8
204.08368	2.7
205.05542	2.0
209.07010	7.0
213.09854	2.0
215.03926	4.7
215.08012	3.6
216.04274	2.2
216.08911	4.7
217.09695	32.0
221.02904	5.6
221.05008	7.2
221.09172	57.4
222.02481	3.3
223.06593	5.5
225.06424	2.1
227.08083	13.2
228.06555	3.3
229.09424	1.8
231.07610	5.3
233.03049	2.3
235.08348	1.9
239.04005	5.3
239.07782	2.1
240.03612	2.0
241.07611	2.8
243.07607	2.5
244.06842	4.6
245.02863	3.8
245.05020	12.4
245.09126	22.6
251.10478	3.8
263.06094	3.0
263.10242	55.2
264.10611	3.4
265.05310	2.2
265.07727	4.7
266.07846	2.8
269.09363	2.2
273.08386	3.2
275.03955	5.0
275.10223	2.8
281.05188	1.8
299.10187	6.2
311.10202	2.7
320.12506	2.2
323.05988	16.4
323.09882	9.4
324.06183	2.2
329.11307	3.1
337.10431	1.9
341.07224	6.8
342.06873	1.8
347.12302	11.8
348.10703	11.6
365.09012	3.1
365.13361	42.6
366.13553	2.7
367.10822	2.8
383.08197	12.4
383.14539	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	383.0947
Annotation	Resorcinolnaphthalein
Peak:m/z	Relative Intensity
51.25161	0.6
62.28256	0.6
69.86351	3.4
74.56676	0.7
78.24493	0.6
78.25084	0.6
108.35993	0.6
141.02922	0.6
246.58432	0.8
268.41495	0.6
296.10196	0.6
378.22656	0.7
383.09457	100.0
384.09839	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	383.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51409	1.0
56.62842	1.1
57.03424	4.3
61.02922	3.5
69.03429	10.9
69.86908	1.7
69.87317	5.0
73.02901	2.5
74.02443	2.5
79.21788	1.0
81.03412	9.3
85.02891	33.0
89.86023	1.0
94.06557	2.2
97.02871	11.0
98.20732	2.0
99.04457	2.4
103.03885	2.5
104.41935	1.2
106.06511	1.2
109.02880	2.3
115.05548	1.5
118.06538	4.3
119.01920	1.8
120.04382	1.3
121.02847	2.0
127.03901	6.2
127.73661	1.2
130.06506	54.6
132.04433	17.4
132.08055	5.5
134.05989	2.1
138.05453	1.4
142.06465	2.2
143.07320	2.7
144.06937	1.6
144.08061	20.2
145.05049	3.3
145.07573	20.7
146.05974	10.1
147.04385	2.0
148.07516	5.6
154.06467	5.6
156.06854	1.5
156.08076	3.4
157.07582	59.0
158.05986	48.9
158.08022	1.8
159.09163	8.7
160.07561	3.1
161.02991	1.5
166.06578	1.3
168.08086	2.0
169.07536	6.6
170.06021	2.8
170.08394	1.6
171.09116	7.4
172.07552	11.0
174.05475	8.1
174.09039	1.4
175.08644	56.4
176.07106	2.1
176.08995	1.4
181.07591	2.6
182.05959	1.7
182.08430	3.4
183.09135	15.2
184.06090	1.7
184.07645	2.8
185.07056	11.1
186.05502	3.6
186.07866	2.8
187.08679	2.8
188.07207	1.4
190.08643	1.9
191.59053	1.1
195.09131	1.5
196.07550	1.7
199.08656	12.6
200.07060	17.2
200.08875	1.9
202.08879	1.3
203.08118	100.0
204.06561	4.4
204.08435	1.9
207.09143	2.2
209.07068	8.0
210.09001	1.5
214.08794	1.3
215.08139	3.1
216.06760	1.3
216.08914	4.2
217.09685	28.2
218.10298	1.1
221.09161	51.9
227.08078	9.2
228.06584	3.5
231.07559	7.6
243.07635	1.9
245.09161	23.2
245.11433	1.7
246.07468	1.3
253.09552	1.7
257.09198	2.1
263.10233	53.9
264.10663	1.5
266.08047	1.8
267.11096	1.3
269.09238	2.2
274.10696	1.6
275.10229	2.0
287.10010	1.7
292.11737	1.7
299.10309	7.7
301.11923	1.3
311.10245	2.4
329.11359	4.0
347.12332	12.1
348.10757	11.1
365.13388	38.1
366.13501	1.8
383.14450	43.1
384.14212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
53.07321	1.0
55.01865	1.5
56.96552	1.3
57.03417	2.6
59.48720	1.1
61.02901	2.9
65.03922	1.4
67.46220	1.0
69.03416	11.4
69.07063	1.8
70.06576	2.0
71.01320	1.1
71.04973	1.5
71.60763	1.9
71.61124	1.2
73.02900	2.6
74.06065	1.0
77.00896	1.7
81.03408	6.5
81.07040	1.6
82.99819	1.2
85.02886	18.7
85.06550	1.8
86.03264	1.1
87.04440	2.2
91.05460	1.9
95.04930	1.5
97.02875	18.6
98.97533	3.5
99.04440	2.5
101.00854	12.3
103.03902	1.2
105.00346	1.7
109.02850	6.8
113.00838	2.3
115.02417	1.6
115.03936	1.1
116.98595	2.8
119.01900	63.4
119.04909	1.9
120.01965	2.6
121.02848	46.1
121.06471	4.0
127.02334	1.4
127.03906	5.5
130.06505	4.8
131.01884	18.2
131.04849	1.2
132.04396	1.2
133.03441	3.6
137.02931	21.1
138.05446	1.6
139.02287	1.3
142.03427	1.6
143.01875	11.4
144.08029	2.8
144.59726	1.0
145.03470	24.0
145.04924	3.0
145.07588	1.7
146.05917	1.5
147.01352	1.9
147.04362	2.2
148.07506	1.1
149.02933	4.0
155.01871	16.4
157.03436	12.0
157.07597	5.5
158.05965	3.5
159.01334	1.5
159.05028	1.2
161.02925	40.6
162.02988	2.2
162.05527	1.6
163.03941	5.7
167.01854	2.9
167.07016	4.2
169.03436	2.2
169.07455	1.1
170.00572	1.2
173.02931	20.1
175.04413	7.3
175.08575	6.1
177.05466	2.1
179.01863	10.8
179.04007	2.5
183.09192	1.7
184.04535	3.2
185.02927	24.9
186.05417	1.9
187.04518	9.0
189.05948	1.2
191.03987	3.3
195.04997	1.5
196.04558	1.6
197.02921	58.5
198.03101	1.2
198.06221	1.2
200.07094	1.8
203.01903	4.2
203.03967	13.5
203.08099	12.2
204.06604	2.6
205.05537	2.9
208.04597	1.1
215.03967	22.9
217.09653	4.0
220.04529	3.2
221.02957	40.7
221.05005	8.0
221.09145	10.8
222.03114	1.9
223.04555	1.9
227.03989	4.8
233.02928	4.9
233.05003	2.6
235.04529	3.8
237.02750	3.2
239.03951	26.7
244.04433	1.2
245.02867	14.7
245.05060	45.0
245.09029	2.4
246.05371	1.9
247.04514	3.2
249.06110	2.1
251.03986	3.7
253.05473	3.3
257.02747	1.8
257.05069	5.0
257.07507	1.3
263.03885	9.9
263.06113	14.8
263.10043	6.0
265.05322	6.2
269.02768	1.8
275.03949	17.8
276.04202	1.4
281.04971	13.2
283.06619	1.5
286.07803	1.2
287.03964	2.9
292.58337	1.9
293.05066	5.4
297.14456	1.6
299.06149	2.7
305.05060	3.1
311.05917	2.7
323.06085	34.7
323.09686	1.4
324.06348	2.8
341.07077	31.3
342.07388	1.7
358.51044	1.1
359.08267	4.5
364.08813	3.2
365.13394	4.6
373.61166	2.2
383.08179	100.0
383.13278	7.8
384.08130	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	382.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.1
55.05497	2.8
56.05022	6.0
57.03428	2.1
57.07072	2.3
59.04975	2.2
60.89724	1.0
61.00737	1.1
61.02908	1.1
67.05485	2.0
67.45104	1.0
69.03408	10.0
69.07063	3.4
70.06574	3.1
70.39587	3.5
70.39962	2.4
71.04977	2.7
72.04509	5.7
72.08147	1.8
73.02908	3.4
74.06067	100.0
77.66197	1.3
81.03407	10.3
81.07056	1.8
83.04951	2.6
84.04501	4.0
85.02888	15.7
85.06562	2.8
86.06047	2.9
86.09695	2.4
87.04445	2.6
90.05542	23.4
93.07013	1.5
95.04946	4.4
97.02876	10.2
97.06528	1.2
98.02376	5.8
98.06031	10.9
98.97567	1.7
99.04424	3.2
100.03982	1.7
102.05524	8.5
103.07566	1.8
103.75650	1.1
104.06979	1.3
107.08587	1.5
108.90779	1.1
109.02854	15.4
109.06481	1.3
110.07168	1.5
110.09743	1.2
111.04440	1.6
113.05978	2.1
114.05466	1.2
116.03435	5.0
116.07076	48.7
116.98585	1.4
120.06553	29.2
121.10103	2.6
124.07576	6.7
127.03900	11.6
136.07564	2.1
142.08612	5.2
144.06529	69.3
145.04958	5.3
147.04355	2.1
149.09570	2.2
160.09718	3.2
162.05481	1.5
162.07582	16.2
163.03923	2.1
166.08583	2.2
167.07004	1.8
167.10637	2.0
174.05531	2.4
174.11159	1.9
181.04889	2.3
184.09656	9.9
185.08052	3.4
185.11714	4.1
199.05952	3.4
202.10713	21.0
203.09172	2.4
203.12827	1.5
210.07651	2.0
211.09602	1.7
216.08597	1.7
217.07100	4.9
220.06018	5.0
220.11752	28.4
220.13776	1.9
221.09183	2.3
228.08586	2.9
230.10382	1.7
234.09731	6.4
246.09772	1.5
252.08470	2.0
262.12808	3.4
264.10846	1.6
270.09677	14.9
288.10706	16.1
297.14450	1.6
306.11752	12.2
318.04562	1.3
328.13855	9.9
346.14819	6.5
364.16043	12.5
382.16055	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1701
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01851	0.8
55.05480	0.9
57.03420	1.1
57.07055	2.6
59.04983	2.0
59.41378	0.6
61.02914	0.8
67.05479	1.1
69.03407	2.3
69.07054	3.6
70.02937	2.6
70.09803	3.2
71.04975	1.1
72.04504	7.0
73.02904	1.8
81.03393	1.7
81.07044	1.1
83.04970	1.5
85.02897	6.0
85.06532	5.2
86.09670	1.0
87.08079	1.0
88.07610	5.3
90.05539	54.7
95.04971	3.5
96.08097	0.7
96.62674	0.6
97.02876	3.1
97.06506	0.7
98.02396	5.9
99.04509	0.8
100.03954	1.4
102.06660	0.6
103.07565	3.2
109.02868	1.1
111.08146	0.7
112.07567	0.6
112.89454	0.8
113.06001	2.3
116.03430	8.1
118.66351	0.6
121.10208	0.6
124.07577	8.2
127.03870	1.4
131.07033	1.0
142.08612	4.3
145.04941	1.2
155.10670	0.7
160.09625	1.4
163.08565	0.7
166.08638	1.6
167.07076	0.7
167.10654	1.5
174.11250	1.5
178.71159	0.6
184.09657	10.4
185.08017	1.0
185.11711	2.8
191.24176	0.6
197.94559	0.6
202.10698	16.6
202.12482	1.3
203.09198	1.1
203.12759	0.9
210.51102	0.6
214.33618	0.8
220.11766	100.0
221.12291	1.3
227.49747	0.6
383.09174	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01860	1.5
55.05492	6.3
57.03410	1.6
59.04992	2.6
59.90801	0.8
60.04501	3.4
61.02904	2.9
64.64086	0.8
67.05477	4.8
69.03417	8.2
69.07056	8.1
70.06568	1.2
70.95736	2.2
70.96076	1.2
71.04975	7.5
79.05477	7.8
81.03383	2.8
81.07043	15.6
83.04961	8.2
83.08605	1.6
85.02888	17.1
85.06515	2.8
87.00763	0.9
87.04441	1.8
89.05996	0.9
91.05452	2.8
93.07038	8.4
95.04943	5.7
95.08585	10.9
97.02358	0.9
97.02873	6.2
97.06500	6.5
97.10136	1.8
99.04423	3.0
99.08079	3.0
101.06016	1.6
105.01830	1.4
105.07005	4.3
107.04922	1.5
107.08578	40.4
108.08879	1.0
109.02876	1.8
109.06519	5.3
109.10143	13.4
111.04398	1.6
111.08067	3.8
111.11694	2.7
113.05982	2.3
115.03859	1.0
117.09055	1.0
119.08599	1.9
119.86872	0.8
121.06514	1.5
121.10116	21.0
121.10875	0.8
121.85867	0.9
123.08052	7.7
123.11710	2.0
125.05968	1.6
125.09613	20.6
126.06293	0.9
126.09912	1.2
127.03914	6.0
127.07539	1.7
131.08517	2.4
135.08014	1.8
136.08818	1.7
137.09595	8.5
139.11165	17.4
141.09058	1.9
145.04941	4.7
149.09592	6.3
150.07729	3.4
151.08075	2.9
155.10614	6.6
157.12207	5.8
159.07993	1.1
162.05437	1.4
167.10655	63.2
168.10991	2.4
171.10182	0.9
185.11700	61.6
186.12140	1.3
190.04968	1.2
203.12750	100.0
204.13124	3.8
213.41170	1.0
220.07222	1.9
382.22171	1.6
382.27966	4.5
383.13016	1.4
392.13211	0.9
397.61243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01867	0.9
55.05266	0.4
55.05503	7.0
57.03425	0.7
57.07060	1.5
58.39662	0.5
59.04981	0.8
65.03939	1.0
67.00024	0.5
67.05494	6.6
69.03410	0.6
69.07056	5.5
71.04980	0.7
73.06554	0.4
77.03926	0.5
79.05482	7.8
81.03362	0.5
81.07042	20.5
83.04964	1.5
83.08600	1.5
83.42990	0.4
85.06522	3.1
91.05460	8.7
93.07026	18.9
95.04964	2.3
95.08591	20.0
97.06514	4.6
97.10164	1.1
98.20662	0.9
99.04430	2.4
99.08022	0.8
101.05994	2.5
103.05385	0.5
105.07013	20.1
106.07377	0.9
107.08575	21.1
108.08922	0.6
109.06503	2.7
109.10135	9.3
109.10822	0.9
111.08070	3.2
111.11670	0.5
115.05424	1.3
117.07012	5.2
119.08561	18.3
121.06496	4.6
121.10117	16.8
123.08031	2.4
123.11685	3.0
125.09598	1.4
127.07548	1.0
128.06180	3.4
129.06104	0.7
129.06990	5.6
130.07780	1.1
131.08542	24.5
132.08890	0.9
133.06450	0.8
133.10110	14.9
135.08029	2.8
135.11670	14.7
137.09602	1.6
137.13206	0.6
139.07495	0.6
139.81145	0.5
141.06967	2.1
142.07745	5.2
142.35089	0.5
143.08537	19.3
144.09267	2.2
145.10100	22.7
146.10454	0.8
147.08029	4.3
147.11664	12.0
149.09619	2.8
149.13200	5.9
151.11147	1.9
153.09122	0.7
155.08539	5.2
156.09303	3.9
157.10100	33.8
158.10612	1.5
159.08020	0.9
159.11668	19.8
160.11964	0.6
161.09575	5.2
161.13231	6.6
162.10355	0.8
163.11151	6.5
163.14835	2.3
165.12761	3.0
167.08539	0.8
167.10640	0.8
168.09322	1.0
169.10101	5.9
170.10855	1.7
171.08105	1.0
171.11652	24.2
172.12273	0.7
173.09615	2.9
173.13239	12.5
175.11159	5.8
175.14781	3.7
177.12726	7.8
178.13100	0.6
179.10646	0.6
179.14217	0.5
181.10144	0.8
181.12225	4.4
182.10829	0.7
183.11674	5.8
184.12398	0.5
185.09671	1.5
185.13231	26.4
186.13699	1.0
187.11171	3.7
187.14780	12.9
189.12675	3.5
189.16362	1.8
190.13393	0.7
191.14308	2.2
193.10283	0.6
193.12210	1.3
193.15775	0.7
195.11696	2.9
195.13777	7.7
197.13213	5.2
199.14789	21.8
200.15247	0.7
201.12726	2.9
201.14658	0.5
201.16302	3.4
203.14233	3.7
203.17924	0.8
205.09996	0.6
205.15909	1.2
207.11894	0.7
207.13727	2.5
209.13261	2.0
209.15213	0.9
211.14801	4.6
213.12671	1.7
213.16353	2.6
215.14203	2.9
215.17909	0.6
217.15909	2.5
219.13802	0.9
219.17424	1.6
221.13353	0.7
223.14766	1.7
223.16815	0.6
225.12790	0.6
225.16341	3.2
227.14336	2.4
227.17912	1.4
229.90132	0.5
233.15317	1.1
234.39975	0.6
235.14659	0.7
235.16924	0.7
237.16273	1.6
237.18462	0.7
239.14314	0.6
239.17886	3.2
241.19435	1.0
245.15346	1.5
249.16310	1.1
249.18651	0.6
251.17912	1.1
253.15808	0.7
253.19547	1.6
255.17558	0.8
255.21228	0.5
263.17892	0.8
265.19440	1.6
267.17395	0.8
267.21149	1.4
269.19019	0.6
271.16922	0.8
271.20404	0.7
280.21851	1.4
281.22287	0.9
283.20734	0.5
285.18533	0.5
289.21594	1.6
291.21036	0.8
293.18970	0.6
293.22552	0.6
311.19931	0.5
321.22260	0.8
325.21652	0.7
335.23547	0.9
339.12219	1.8
339.23087	0.6
345.25671	3.2
353.24829	1.0
354.25110	0.5
363.26782	13.0
364.27393	1.3
381.27829	100.0
382.28186	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59435	2.3
53.03932	7.1
53.65839	2.9
55.01862	5.1
55.05501	25.0
57.03420	10.9
57.07058	9.3
59.04985	3.1
60.42163	2.4
61.02916	11.0
67.05486	29.9
67.09873	2.3
69.03419	60.8
69.07051	21.0
69.33771	23.7
71.04981	29.3
73.02907	5.6
75.04465	3.2
75.68156	2.1
79.05482	29.8
81.03425	15.8
81.07044	70.6
82.07376	2.4
83.04965	24.9
83.08593	8.3
84.17909	2.1
85.02891	63.5
85.06519	2.8
87.04454	5.6
91.03944	3.1
91.05463	39.7
93.06461	4.3
93.07032	73.5
95.04949	19.0
95.08594	56.4
97.02876	34.0
97.06508	9.5
97.10129	4.2
99.04439	20.3
103.03939	5.2
103.05473	2.5
105.07014	95.0
107.04946	4.4
107.08581	84.1
108.08903	3.2
109.02853	7.3
109.06502	10.1
109.10138	44.5
111.04451	3.9
111.08042	6.1
115.03913	4.1
115.05440	3.0
117.07007	15.2
119.08562	73.9
121.06488	7.6
121.10121	68.7
122.10448	2.4
123.08031	11.5
123.11709	13.9
125.09612	16.4
127.03910	27.6
127.11179	6.6
128.06212	4.1
129.05522	3.7
129.06973	10.2
130.07751	5.4
131.08542	41.2
133.06490	3.2
133.10106	56.2
135.08018	6.2
135.11664	18.2
137.05974	3.4
137.09625	4.3
137.13206	3.2
139.11098	3.2
141.05426	2.5
143.08545	14.6
144.09290	6.6
145.04939	15.7
145.06361	2.3
145.10100	100.0
146.10580	3.5
147.11670	42.5
149.09560	7.4
149.13243	18.1
153.05472	3.7
155.08530	3.8
157.10097	19.4
159.08052	4.8
159.11670	98.1
161.09555	5.0
161.13220	64.8
162.13640	2.7
163.11116	4.7
163.14801	6.7
165.12839	3.4
169.10139	5.7
171.11641	9.6
172.12349	4.3
173.09555	4.0
173.13243	23.6
175.11211	5.3
175.14795	10.4
177.16353	5.7
183.11584	3.4
183.66669	2.4
185.13284	4.9
187.11183	3.8
187.14769	5.4
191.17917	3.8
195.11644	4.2
199.14758	7.7
201.12622	2.7
201.16342	84.2
202.16765	4.2
203.14470	2.5
203.17947	22.9
211.14755	2.8
213.16368	4.9
215.18019	3.1
217.15833	10.4
219.17395	36.1
226.76228	2.5
229.15680	2.8
231.17412	6.3
239.14189	3.5
243.17296	5.2
261.18506	3.5
273.18521	4.0
285.18594	3.1
327.19400	3.3
345.20578	8.7
363.21478	11.0
381.22672	23.6
394.41293	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	381.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01857	4.4
55.05503	27.5
57.03424	11.2
57.07069	10.0
61.02923	10.2
65.03924	3.2
67.05499	27.6
69.03067	3.6
69.03423	56.4
69.07063	21.0
69.44918	15.9
70.66273	1.8
71.01354	2.6
71.04984	20.4
71.56833	1.8
73.02895	5.8
79.05483	27.6
81.03409	17.5
81.07047	72.5
83.04967	21.7
83.08617	12.7
85.02895	59.2
85.06554	3.8
87.04468	5.3
91.03966	3.3
91.05470	37.3
93.07031	67.9
93.07618	4.0
95.04964	17.8
95.08600	64.0
97.02879	39.5
97.06509	9.3
97.10172	3.4
99.04444	24.5
103.03931	4.0
103.05452	2.6
105.03399	2.1
105.07015	100.0
107.04990	2.5
107.08583	85.9
108.08912	1.9
109.02864	9.3
109.06503	8.4
109.10143	30.6
111.04460	4.3
111.08073	4.9
113.02323	1.9
115.03961	2.6
117.07010	17.0
119.08569	75.8
120.08952	3.2
121.02860	2.8
121.06506	4.7
121.10126	81.5
123.08031	9.4
123.11703	12.3
125.05985	2.9
125.09640	4.5
127.03900	28.2
127.07519	2.7
128.06256	3.1
129.05505	2.7
129.06947	8.8
130.07762	9.5
131.08549	42.1
133.10112	41.1
135.08046	5.1
135.11671	21.0
137.05963	3.6
137.09624	2.8
139.11113	2.3
141.05420	4.1
143.08524	9.9
144.09349	10.4
145.04958	12.6
145.10103	86.3
147.11665	37.6
149.09622	6.0
149.13245	20.8
151.11234	2.6
153.05437	3.6
155.08482	2.9
156.09280	1.9
157.10094	14.9
158.10915	4.9
159.11678	91.3
160.12054	3.5
161.09605	5.5
161.13235	75.2
163.11186	6.8
163.14812	10.8
165.59502	2.0
167.07079	2.2
169.10155	4.3
171.11655	8.2
173.13245	24.2
175.11159	2.3
175.14825	9.3
177.16409	7.0
183.11674	2.4
185.09625	3.8
187.14845	3.4
189.16373	5.1
191.17870	3.3
197.13257	2.5
199.14836	7.8
201.16365	90.0
202.16792	3.7
203.14362	2.2
203.17947	27.8
213.16382	5.4
215.18018	2.8
217.15887	9.8
219.08650	1.9
219.14049	2.1
219.17426	38.7
220.17770	2.5
221.18822	2.1
223.40767	1.7
227.09187	3.2
229.16026	2.3
231.17476	4.2
240.01073	1.7
259.16916	2.1
261.18591	2.5
273.13541	4.7
291.14743	2.4
302.17435	29.7
303.19507	2.0
313.10410	2.0
314.96124	2.0
320.18542	35.6
345.20703	6.6
363.21783	8.9
364.21271	8.7
377.59961	1.8
381.22842	16.4
382.22244	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.3
55.01851	11.4
55.05502	31.0
57.03434	16.1
57.07052	8.4
59.04983	4.9
61.02905	11.0
65.03931	6.5
67.05492	36.4
69.03418	51.7
69.07053	36.7
69.50214	2.8
71.01348	3.9
71.04976	39.9
71.62656	4.7
73.02901	9.3
79.05477	38.7
81.03398	31.2
81.07043	87.6
83.04967	24.8
83.08603	9.0
85.02411	5.0
85.02889	55.8
85.06524	14.6
87.04449	4.6
91.05463	64.8
93.07026	88.0
93.07611	4.3
95.04950	27.0
95.08587	71.6
97.02874	27.3
97.06511	13.5
97.10146	8.5
99.04435	14.4
99.08071	3.3
103.03930	8.7
103.05416	4.0
105.03368	8.3
105.07010	95.2
107.04945	6.5
107.08575	74.4
109.02850	13.3
109.06506	18.5
109.09442	5.3
109.10136	64.5
111.04401	5.1
111.08057	13.2
115.03907	8.4
115.05357	2.6
117.06974	18.9
119.04930	5.3
119.08560	68.6
121.02810	4.8
121.06512	15.3
121.10119	70.8
123.04422	29.7
123.08047	15.6
123.11699	19.2
125.05907	3.4
125.09616	32.3
127.03896	21.3
127.07545	7.3
127.11165	22.1
128.06158	3.5
129.05421	4.0
129.06992	15.5
130.07739	5.5
131.08539	39.6
133.06454	7.6
133.10104	100.0
135.08038	11.1
135.11674	33.2
137.05972	6.3
137.09578	11.6
137.13205	3.9
139.03885	6.4
139.11119	5.7
141.05464	2.4
141.06953	6.3
142.07738	11.1
143.08559	21.1
143.10576	3.9
144.09314	5.3
145.04932	6.0
145.06479	8.5
145.10097	73.5
147.04399	7.9
147.08063	6.2
147.11661	34.4
149.09608	13.7
149.13239	11.2
151.03868	9.8
151.07549	3.8
151.11150	10.6
153.06889	4.7
155.08525	7.9
156.09338	6.5
157.10114	32.8
159.08029	13.2
159.11659	54.2
161.09552	10.5
161.13222	27.9
163.07649	3.4
163.11124	11.2
163.14787	11.7
165.05470	8.7
165.09154	3.0
165.12724	8.6
167.07109	3.8
167.08482	3.5
169.10107	10.8
171.08034	3.7
171.11678	16.3
173.09639	6.3
173.13217	14.7
175.07555	3.4
175.11172	9.7
175.14783	13.5
177.12697	8.2
179.14191	3.0
183.11658	5.8
185.09615	5.2
185.13165	4.3
187.11160	8.5
187.14801	9.2
189.12762	6.1
191.07092	3.1
191.10634	5.0
191.14287	3.9
191.17879	21.2
195.11707	4.9
197.13255	6.1
199.11185	4.8
199.14806	8.8
201.12740	6.4
201.16336	57.3
203.14331	5.2
203.17944	4.9
213.09009	4.2
213.12695	4.7
213.16316	9.1
215.08891	3.5
217.12267	4.1
217.15837	9.2
219.13811	4.0
219.17392	53.3
225.16347	3.4
229.08542	8.8
229.12306	2.8
229.15791	3.7
231.17407	10.7
235.16919	3.1
237.18497	5.6
241.15991	2.8
243.17416	8.3
255.17401	6.0
261.18365	6.7
267.17572	3.4
277.14447	3.8
285.18396	3.4
297.18506	6.0
302.17288	5.0
303.08612	4.3
309.18408	5.4
315.19562	4.7
327.19543	9.6
345.20361	13.9
363.21844	14.1
381.09433	6.6
381.13678	5.6
381.18222	3.9
381.22787	54.6
381.27664	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	381.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75277	2.6
53.02953	2.5
53.03931	9.8
53.05225	2.3
55.01852	8.0
55.05510	27.1
56.05029	22.5
57.03417	9.9
57.07055	8.1
60.75331	3.3
61.02908	12.0
62.56316	2.5
65.03943	3.4
67.05492	30.0
69.03069	4.7
69.03420	68.2
69.07059	24.8
71.01315	2.8
71.04984	21.6
71.62485	2.6
71.62846	3.1
73.02899	5.7
75.04470	3.4
79.05482	28.8
81.03406	22.6
81.06564	4.7
81.07047	66.6
82.28609	2.6
82.98689	3.2
83.04949	16.2
83.08603	10.1
85.02895	65.4
85.06543	4.1
87.04433	7.6
91.03967	2.7
91.05470	45.4
93.07030	70.5
95.04967	15.2
95.08595	66.5
96.08908	3.2
97.02882	43.8
97.06515	19.6
97.10168	4.6
99.04452	16.3
99.08019	2.6
103.09258	2.7
105.07021	93.7
107.08582	81.0
109.02872	10.1
109.06511	11.8
109.10140	36.3
111.04389	3.1
111.08095	6.1
115.03927	5.9
115.05382	3.4
117.06992	17.8
119.08565	75.6
121.06490	7.3
121.09305	4.1
121.10131	62.8
123.04400	2.9
123.08072	8.1
123.11707	13.6
125.02330	2.8
125.09583	7.1
127.03904	30.7
128.06216	3.7
128.22243	2.8
129.07011	30.9
130.07742	8.5
131.04922	3.1
131.08554	39.8
133.10112	41.9
135.08029	4.5
135.11659	16.5
137.05940	5.3
137.09590	7.9
141.07008	3.3
142.07762	5.0
143.08585	16.7
144.09344	10.7
145.04912	15.1
145.09021	5.6
145.10109	88.8
147.06769	8.9
147.07944	4.8
147.11674	39.7
148.11975	2.5
149.09592	8.8
149.13232	22.1
151.11143	2.8
153.05424	3.6
155.08496	3.0
157.10092	19.9
159.08034	5.9
159.11679	86.4
161.09575	6.8
161.13243	54.4
163.11166	7.0
163.14812	6.9
171.11707	7.1
172.12531	2.9
173.13231	22.2
174.09084	3.4
174.30612	2.5
175.14825	7.5
176.06981	2.6
176.10699	4.8
177.07745	6.6
177.09111	3.7
177.16409	4.1
179.07063	3.3
181.10071	3.2
184.11201	11.5
185.13380	3.0
187.11214	3.8
187.14807	5.2
189.12767	3.2
191.14302	3.5
191.17921	7.3
199.14784	5.8
201.12747	4.2
201.14557	5.6
201.16351	77.0
201.18214	4.1
202.12198	3.8
203.14240	3.0
203.17961	21.5
204.10094	3.3
205.10931	2.7
206.11775	3.1
213.12694	3.6
213.16364	2.8
214.65605	2.5
217.12425	3.3
217.15910	9.9
219.13760	4.0
219.17392	32.2
258.14923	4.4
261.18372	3.8
273.13354	13.9
291.14612	8.2
302.17459	90.4
309.18570	4.0
320.18533	100.0
345.20630	5.7
346.20215	4.1
363.21750	5.8
364.21317	19.8
381.13959	3.9
381.22598	22.6
381.27426	5.1
382.22278	56.0
390.93353	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	381.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.0
55.01855	5.9
55.05510	7.6
56.43530	1.5
57.03419	2.6
57.07049	4.4
59.04991	1.7
60.04502	1.5
61.02905	2.1
67.05486	4.7
69.03419	8.7
69.07047	5.5
69.73627	10.7
71.04985	40.0
72.08152	1.9
73.02896	2.2
73.06538	8.6
79.05468	8.0
81.03401	5.0
81.06629	2.2
81.07051	24.7
83.04962	6.1
85.02898	15.6
85.06545	10.5
91.05473	5.6
93.07041	22.2
95.04947	3.4
95.08589	9.9
97.02865	5.1
97.06508	20.0
99.04443	2.5
99.08082	42.5
100.29457	1.6
101.05996	3.2
105.07021	13.0
107.08572	21.0
109.02856	3.7
109.06496	7.3
109.10131	5.8
111.04401	2.3
111.08041	7.0
113.05976	4.7
113.22408	1.6
119.08559	3.9
120.08075	1.9
121.06472	1.8
121.10133	8.9
123.08057	2.9
123.11671	6.4
125.09619	4.1
127.03918	3.8
127.07532	18.9
131.08475	2.5
135.08127	2.0
137.09590	2.8
137.13199	9.7
139.07559	1.5
139.11139	5.6
141.12752	1.8
145.04936	3.1
147.04376	4.5
147.11679	14.8
149.09637	3.6
150.07732	81.8
151.08060	1.6
155.10674	2.0
161.06065	2.0
162.05472	2.7
165.12732	20.4
166.09314	2.4
167.10669	9.6
171.10135	2.7
183.10280	3.1
183.13792	100.0
184.10524	3.4
184.14214	3.8
185.11711	12.3
190.04948	2.9
193.08604	2.5
201.14981	2.8
203.12787	9.8
219.15881	5.8
220.09514	1.9
253.55453	1.5
275.41071	1.5
293.10236	3.1
302.17578	1.6
321.09659	3.9
331.09277	1.9
381.11554	39.0
381.16077	1.7
382.11441	5.2
382.22266	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	381.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15588	1.3
59.85530	1.1
71.15139	3.0
82.50253	1.1
104.46576	1.2
104.68650	1.1
112.15776	1.2
133.00792	1.2
143.11728	1.2
145.53667	1.1
201.01546	2.6
219.02728	1.8
381.07886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60616	0.4
56.96559	0.6
57.03423	1.0
61.02916	1.0
69.03417	2.9
71.04973	0.8
71.62067	0.6
73.02924	0.6
77.00900	0.5
81.03436	1.2
82.99900	0.6
83.05017	0.4
85.02894	6.6
85.03358	0.6
88.74850	0.4
91.03961	0.5
94.99827	0.5
97.02877	2.3
98.97572	3.3
99.04434	0.6
101.00868	3.0
103.02446	1.3
109.02868	0.8
111.02950	0.6
113.00893	1.3
115.02412	3.6
116.98646	1.6
119.01897	7.8
120.01943	0.5
121.01665	1.2
121.03467	0.6
127.03921	1.5
129.02220	0.7
129.04008	1.5
131.01874	5.0
133.01704	1.4
133.03447	16.1
135.03192	0.8
137.02959	0.6
137.04553	0.7
141.03979	0.5
143.01874	3.6
145.01692	0.8
145.03444	4.1
145.04961	1.9
147.03233	1.6
147.05000	5.2
151.04498	2.5
155.01857	5.7
156.02650	1.0
157.01663	1.1
157.03445	6.1
159.03236	1.3
159.05005	8.3
161.02930	5.1
163.02794	0.7
163.04535	0.7
165.04120	0.5
165.06091	0.7
167.02003	0.7
169.03510	1.4
171.01437	0.6
171.03505	1.0
171.04971	6.0
173.02945	7.6
173.04614	0.7
173.06618	0.8
175.02953	0.9
175.04555	4.1
177.00764	0.6
177.04407	1.9
177.06110	5.9
178.06139	0.6
179.01930	1.4
183.03415	1.1
183.04955	4.7
185.02904	2.2
185.06641	1.7
185.86044	0.5
187.04588	1.5
189.04440	1.1
189.06108	3.0
193.03647	0.5
195.05286	1.3
195.07175	5.0
197.02881	3.6
197.06660	1.3
199.04559	1.4
201.04312	1.5
201.06102	3.6
203.04039	3.0
203.05791	0.7
203.07770	0.6
205.03842	0.9
207.05151	0.6
211.04582	1.9
213.06061	1.5
215.07693	0.7
219.01782	1.1
219.05280	1.1
219.07112	20.2
220.07364	0.7
221.05032	10.4
221.06985	0.8
222.05388	0.9
223.04871	4.4
223.06723	1.5
225.06149	1.9
231.07109	19.6
232.07428	1.0
233.08672	4.7
237.02742	1.0
242.08226	0.9
243.07327	0.6
244.07880	0.5
245.05028	13.1
245.08795	1.0
246.05229	0.8
247.04774	1.2
249.06583	1.1
255.07074	6.7
259.04501	1.2
259.07101	2.2
261.06412	2.8
261.08386	2.5
261.58395	0.8
262.07083	0.9
265.07718	0.8
273.08170	6.8
279.09436	2.1
290.08350	0.5
291.09201	1.3
303.07608	0.5
303.09326	0.5
305.10910	0.7
321.10342	100.0
322.10617	3.6
335.08359	0.5
339.11539	13.5
340.11188	0.7
363.09973	1.4
381.07968	7.5
381.12360	9.9
393.12381	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01854	3.6
55.05497	7.3
56.05054	1.2
56.72202	1.4
57.03413	2.6
57.07062	3.2
60.04507	3.0
61.02905	2.8
67.05482	5.4
69.03410	11.4
69.07053	3.7
71.04975	4.7
71.62480	2.6
72.04507	2.1
73.02898	2.4
74.09701	4.0
79.05482	5.2
81.03407	7.0
81.04517	1.6
81.07047	11.4
82.06561	4.5
83.04961	4.4
83.08598	4.2
84.08128	29.3
85.02885	20.4
85.06525	3.5
91.05450	7.8
93.07022	4.8
95.01318	1.7
95.04945	5.9
95.08588	8.9
97.02888	7.9
97.06519	2.4
99.04439	3.3
101.05957	2.3
102.12798	2.3
105.07013	24.4
107.04942	9.3
107.08586	7.6
109.02843	4.9
109.03504	1.3
109.06492	22.6
109.10126	5.6
110.02366	2.2
111.04437	1.4
113.02347	1.2
113.05953	2.1
115.03924	2.3
119.04921	5.3
119.08553	16.1
120.08067	1.9
121.02825	7.2
121.06512	2.7
121.10119	96.9
122.10459	2.3
123.06644	1.3
123.08027	14.5
123.11684	12.6
124.07555	3.1
125.05969	2.3
127.03900	6.3
127.07531	30.6
128.07065	20.6
128.07932	2.8
129.05440	1.9
129.10213	20.2
130.08614	8.5
135.11647	4.1
137.05934	1.8
137.09627	7.9
137.13272	2.0
139.03894	2.4
145.04971	3.0
147.04399	10.4
147.08086	1.6
147.11661	45.1
150.07727	13.6
155.07001	3.2
155.08221	1.8
157.04973	1.8
158.34854	1.3
165.09082	8.0
165.12726	42.8
167.06973	1.5
169.04938	1.6
183.06497	4.5
183.10175	14.5
183.13771	100.0
184.14134	2.6
190.08632	2.7
201.07533	5.9
201.11276	6.4
202.10709	2.7
203.05440	3.7
215.05486	4.4
218.08150	4.6
234.98967	3.1
250.09116	8.6
256.12891	3.1
345.14456	1.8
362.17429	18.7
362.25143	3.1
363.01648	1.8
363.17297	1.8
380.14374	2.5
380.18048	5.5
381.02512	3.5
381.11438	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	380.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.1
54.95037	1.0
55.01845	1.4
55.05502	1.7
57.03385	1.1
61.02908	1.6
63.73375	1.1
67.05488	3.8
69.03416	2.3
69.07063	2.6
69.70097	8.8
71.04983	54.7
79.05482	14.4
81.07027	11.1
83.04973	2.4
83.97812	1.1
85.02896	7.0
85.06533	3.8
91.05480	4.6
93.07032	16.6
95.04934	1.7
95.08595	9.0
97.02860	1.8
97.06499	5.9
99.08059	1.9
105.07026	11.2
107.08585	14.4
109.02856	1.3
109.06505	3.3
109.10115	4.2
111.08002	1.2
113.05969	1.7
118.09403	1.3
119.08549	5.8
121.10126	7.2
123.08080	1.5
123.11727	2.3
125.09602	3.0
127.03869	1.7
129.90993	1.5
135.11703	1.2
137.09621	3.9
137.13251	4.1
143.10696	1.6
147.04382	4.1
147.11659	15.7
152.05675	1.5
155.10699	2.4
165.12729	100.0
166.13095	3.5
183.10191	4.5
183.12112	2.7
183.13754	44.6
183.15306	2.4
184.14268	1.6
201.11171	6.2
218.11673	7.8
321.14209	1.6
381.16373	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.2
67.05486	4.2
69.03428	1.6
69.07047	2.6
71.04977	18.4
71.47068	1.6
73.06538	6.7
79.05466	2.8
81.07033	11.7
83.04978	1.0
83.08582	1.0
85.02888	4.1
85.06529	3.9
87.08037	1.0
91.05454	2.0
93.07024	7.5
95.04935	0.7
95.08586	8.1
97.02872	1.9
97.06504	11.5
99.08076	23.3
105.07005	5.7
107.08573	5.9
109.06498	1.8
109.10126	4.8
111.08068	2.2
119.08557	1.7
121.10125	3.5
123.08054	1.5
123.11663	5.1
125.09637	0.8
127.07522	7.8
135.07991	0.8
137.09561	1.8
137.13219	5.5
147.11676	8.7
155.10701	0.8
165.09074	1.2
165.12729	12.2
183.13771	100.0
183.17302	2.4
184.14139	2.5
201.13094	0.9
201.14780	4.2
203.15894	0.8
206.11555	1.0
345.19019	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
54.24769	0.7
55.01869	1.2
55.05506	2.8
57.03424	1.4
61.02926	1.5
67.05492	14.2
69.03408	4.1
69.07056	2.6
70.77967	1.5
71.04983	1.7
72.01155	0.7
79.05491	1.4
81.03411	4.3
81.07040	14.4
82.07420	0.8
83.08607	1.2
85.02885	9.8
85.06539	0.8
91.03938	0.6
91.05460	2.8
91.30707	0.6
93.07032	2.4
93.10413	0.7
95.04956	2.9
95.08587	10.3
97.02871	4.6
97.06539	1.0
99.04455	3.1
99.08081	2.1
105.07012	1.7
107.08595	4.2
109.02853	4.8
109.06515	2.0
109.10139	57.4
110.10468	1.5
119.08556	4.6
121.10143	3.5
123.11694	5.9
125.05139	1.0
125.05973	7.0
127.03881	3.1
127.07552	2.1
137.09598	99.2
138.09923	2.2
141.12732	1.4
145.04942	2.7
146.05980	2.4
147.11624	3.7
155.10645	27.8
156.10909	0.7
161.13110	0.7
165.09090	68.7
165.12721	2.9
166.09470	1.6
174.05446	1.3
180.08630	1.7
181.04970	0.7
183.10150	24.7
183.13770	9.6
201.11189	100.0
201.14754	4.8
202.11540	2.4
206.11665	0.9
216.79410	0.7
219.12215	3.5
291.12228	2.4
309.13367	11.8
327.14252	4.1
381.05801	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1577
Annotation	Abafungin
Peak:m/z	Relative Intensity
53.03928	0.4
55.01855	0.6
55.05506	0.5
56.96537	0.5
57.03426	1.9
60.05629	0.6
61.02910	1.0
67.05492	0.9
68.69440	0.4
68.99782	0.5
69.03427	3.8
69.23531	0.4
70.06581	0.7
71.04972	0.7
71.61537	0.4
71.61913	0.5
73.02906	0.6
74.06060	1.7
75.04466	0.9
76.02239	0.5
79.05499	0.6
81.03406	1.9
81.07011	0.8
83.04951	1.8
84.08112	0.5
85.02413	0.7
85.02893	8.4
86.09674	1.0
87.04445	0.4
91.03884	0.5
91.05441	1.2
93.03426	0.4
93.07026	0.9
95.01309	1.8
95.04958	1.2
96.47912	0.3
97.02879	3.6
97.06479	0.7
98.97579	1.5
99.00838	0.4
99.04438	0.6
105.06985	0.7
107.04939	0.5
109.02878	2.0
109.06496	0.5
110.03520	0.4
110.06034	0.4
111.04418	3.2
113.02368	2.0
113.06007	0.4
116.07082	0.5
116.98590	1.2
119.04895	3.2
119.08568	0.5
121.02841	1.2
121.06474	0.8
123.00800	0.4
125.05969	1.7
127.03933	2.5
128.98595	0.4
129.05476	1.1
130.06502	0.4
132.10237	0.6
134.99599	0.6
137.05962	5.2
138.06317	4.0
143.07033	0.8
145.04938	1.6
147.04404	1.2
149.05965	2.9
150.96811	0.4
154.03868	0.4
158.97401	0.6
158.99635	0.8
159.06458	0.4
162.02315	0.4
163.07529	0.7
167.06993	3.6
174.06638	0.4
176.98396	0.4
177.00700	1.1
181.08540	1.2
182.08925	1.6
183.06477	0.4
183.10139	0.6
185.08084	0.9
199.09708	2.2
199.11299	0.5
200.10008	0.6
216.98061	0.6
217.10471	9.5
219.01726	0.5
225.07161	0.5
233.14919	2.1
234.98964	1.5
237.02902	0.6
257.06619	0.4
259.03903	0.5
310.67770	0.4
319.04736	1.3
355.09076	0.5
360.15323	0.4
379.15695	100.0
380.16180	3.8
384.75729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95032	1.7
69.03405	5.9
69.63156	6.6
69.63590	4.9
73.02905	1.4
73.95695	1.6
85.02887	10.7
88.29875	1.6
94.99799	1.8
97.02859	8.0
98.97532	2.2
101.00861	10.5
103.02401	1.8
108.02356	1.7
113.00868	2.4
113.03471	3.6
115.02390	4.3
117.03953	1.9
119.01128	2.8
119.01905	31.4
121.01646	4.2
121.02840	2.0
121.06470	5.6
122.06820	3.4
127.02412	2.6
127.03911	2.7
128.14267	1.5
131.01889	22.1
133.01660	2.2
133.03452	20.3
137.02904	4.4
139.02414	1.9
143.01889	15.7
145.02399	2.9
145.03432	28.2
146.03502	2.0
147.03207	2.9
147.05055	2.1
149.02939	4.3
151.04489	2.3
155.01875	22.2
156.02620	7.3
157.01665	3.8
157.03433	29.3
159.03249	2.5
159.05037	6.1
161.02928	26.7
162.03030	2.2
163.02708	1.8
163.04503	5.5
167.01933	2.2
169.03441	10.2
171.03188	3.0
171.04993	11.7
173.01407	2.1
173.02937	37.1
173.06563	1.8
174.03554	2.1
175.02753	4.3
175.04483	23.0
176.04366	1.7
177.02460	1.9
177.04192	2.1
177.06131	2.4
181.03450	4.5
183.04999	3.7
185.02917	9.6
187.02740	3.5
187.04478	13.9
189.06018	8.3
191.03952	2.7
193.03531	5.0
197.02930	4.9
199.02768	3.4
199.04437	13.6
201.04280	2.4
201.06067	4.9
203.04007	28.3
203.05873	1.3
203.07605	2.1
205.03781	2.5
205.05511	3.0
209.02843	3.5
211.04494	12.1
215.04010	1.9
217.03674	1.9
217.05542	3.5
219.01807	2.0
221.05028	87.9
222.05226	5.4
223.04764	4.6
223.06677	3.5
229.05557	8.3
229.09196	2.2
231.03502	5.6
235.04497	4.2
239.06345	4.5
241.05466	5.2
245.05057	34.4
246.05060	2.5
247.06656	32.1
249.04530	4.5
253.05713	1.9
257.05032	43.1
258.05145	1.8
259.06592	74.0
260.06793	5.4
261.06079	18.0
263.05914	7.6
265.07715	2.2
271.06705	2.0
273.00931	2.1
273.08218	3.3
275.06046	5.1
275.56473	1.8
277.07645	5.7
279.09283	9.8
281.39447	1.6
283.06570	6.3
287.02472	1.7
289.07614	3.0
291.09302	2.7
293.05405	1.9
300.09332	1.8
301.07593	26.2
307.08429	2.3
317.07120	2.2
319.08789	100.0
319.12192	3.8
320.08817	6.7
337.07800	18.4
349.09933	2.9
361.09760	22.9
362.09592	1.9
379.06537	4.9
379.11124	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	379.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03937	4.7
55.01862	0.8
55.05502	1.2
57.03436	0.9
67.05479	1.8
69.03419	7.2
69.07059	1.7
70.87274	1.6
71.04976	1.4
71.27480	0.5
73.02937	0.6
77.03901	0.9
79.05479	4.8
81.03410	17.5
81.07049	4.3
83.04971	1.1
83.08609	0.9
85.02894	6.7
85.06531	1.1
89.16364	0.5
91.05477	1.8
93.07037	2.5
95.04959	6.0
95.08610	3.2
97.02879	11.8
97.06515	0.6
99.04445	3.2
99.08080	0.9
105.03379	100.0
105.07018	1.4
106.03730	1.7
107.08587	1.7
109.02864	11.7
109.10146	3.6
111.08115	0.7
113.02354	71.6
114.02650	0.7
119.08577	1.4
121.10143	1.5
123.04414	7.5
123.08069	0.5
123.11691	1.8
125.09621	1.1
127.03905	11.3
133.10136	1.0
143.08652	0.6
145.04984	3.4
145.10098	0.6
147.11703	0.8
149.13283	0.7
157.64142	0.5
159.11670	0.7
163.14792	0.6
167.07016	0.9
179.07004	1.6
181.04916	3.0
199.14809	0.9
207.06517	3.7
231.17261	0.5
244.09517	2.1
245.09326	0.7
249.07556	27.7
267.08600	5.5
319.12878	0.6
329.62408	0.6
335.20407	1.2
379.14975	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66154	0.8
55.86715	0.8
61.27382	0.8
69.03386	1.2
70.06578	100.0
70.88719	1.1
70.89059	1.9
71.04972	0.8
72.02840	0.8
74.38306	0.8
79.05465	1.2
81.03402	3.4
81.07039	1.1
85.02890	3.9
87.04454	1.3
91.05465	2.5
93.07018	2.0
95.04917	0.9
97.02864	2.3
103.05465	1.2
105.07037	0.9
107.04929	1.0
107.08588	1.6
109.02864	5.4
112.07583	98.7
113.07936	1.8
115.05415	2.0
116.07076	2.9
117.07008	1.9
119.08560	1.2
121.06480	2.7
122.03500	0.9
122.18280	0.8
124.41836	0.8
127.03904	3.0
135.08064	2.2
137.05962	13.9
137.09531	0.8
138.06284	7.4
140.07037	63.8
144.05464	1.0
145.06485	2.7
147.04356	1.2
147.07999	1.7
149.06052	1.0
153.09061	1.3
158.08095	12.9
166.06317	1.4
167.07022	4.1
173.05930	4.5
175.07516	4.0
181.08574	13.6
192.07899	1.2
198.05304	0.9
199.09601	12.5
200.06972	1.0
205.08586	10.0
207.10121	3.0
219.10098	1.4
223.09634	1.1
230.10316	1.5
235.09544	8.5
238.61302	0.9
247.09669	1.0
253.10661	3.2
258.08020	1.2
259.09509	1.5
261.11273	1.1
265.10742	2.1
266.10190	3.8
273.10959	2.0
284.11279	13.2
285.11322	0.8
289.10611	2.3
302.12326	3.7
307.11679	3.0
335.04385	0.9
342.15359	1.6
378.11807	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76224	0.2
60.54230	0.2
61.37595	0.2
70.05578	0.8
70.05976	0.4
74.44886	0.2
82.89886	0.2
85.02859	0.3
91.05473	0.4
92.06240	0.2
95.04962	0.3
98.20804	0.3
107.04923	0.6
120.05732	0.3
123.04401	0.7
136.05182	0.4
137.05966	2.0
138.06784	1.3
148.05180	7.8
149.05569	0.2
151.03871	1.0
154.06238	0.3
166.06294	0.5
181.08574	100.0
182.08914	2.3
199.09595	0.5
273.43109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29284	1.0
53.03925	3.0
55.01851	1.4
57.03415	2.1
61.02920	2.8
61.39774	0.9
67.05482	1.7
69.03423	7.8
69.89103	6.4
70.06564	2.5
71.04951	1.2
72.08169	1.2
73.02885	2.5
75.20680	1.0
81.03401	3.7
85.02889	20.0
91.05435	1.1
95.01308	5.1
95.04947	16.1
95.78848	1.0
97.02882	5.8
109.02849	4.0
111.04384	1.5
113.02366	9.7
119.04971	1.5
121.02838	3.7
121.06542	1.3
123.04410	13.8
125.02324	4.6
127.03896	5.6
135.07930	1.1
137.05991	5.1
140.04660	75.7
141.05046	1.9
145.04926	5.3
152.21490	1.0
155.07004	36.6
167.03362	1.9
167.07002	5.9
173.08063	3.7
180.08643	7.4
181.04935	11.2
181.08565	9.2
199.05986	100.0
199.09637	5.7
199.28535	1.2
200.06285	2.5
216.08618	1.5
237.02455	1.1
247.26848	1.1
311.33929	1.1
378.14410	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	378.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
54.25904	0.5
55.01864	0.8
61.02913	1.1
61.39536	0.5
69.03410	1.9
69.66798	2.4
69.67208	1.0
70.06565	1.2
73.48574	0.5
74.01050	0.5
81.03396	1.0
85.02882	7.1
91.04952	0.9
91.05470	8.7
93.07032	10.4
95.04951	2.3
97.02878	1.7
103.05450	5.1
109.02850	0.9
111.04373	0.6
111.19777	0.5
112.07562	1.5
119.04916	2.2
120.05685	1.4
121.02792	0.6
121.05631	1.1
121.06483	14.2
123.04444	0.6
125.05956	1.1
127.03895	1.5
133.02798	0.8
135.08107	0.7
137.05975	1.8
138.06700	1.5
140.07037	0.8
145.04942	1.7
147.04359	0.8
148.05165	1.3
149.05977	4.7
151.03929	1.0
151.07416	0.5
153.05403	1.5
166.06224	8.5
167.06953	1.7
174.60551	0.5
180.08638	1.9
181.08565	100.0
182.08868	3.3
184.07336	1.0
199.09621	66.7
200.09958	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
54.85193	1.2
55.01858	3.7
55.05507	1.6
56.96550	4.3
57.03422	7.4
59.04959	1.4
59.57444	1.1
60.04513	1.7
61.02910	7.4
65.03928	1.1
67.05487	2.5
67.83081	1.2
69.03420	24.7
69.07046	1.9
70.06581	2.9
71.04984	3.6
71.62308	2.5
73.02896	4.0
73.92075	1.3
74.09693	1.4
76.02168	1.3
79.05478	4.4
81.03412	10.7
81.07047	10.4
82.06604	1.4
83.01296	1.2
84.08121	2.9
84.96037	1.8
85.02891	64.5
87.04442	4.3
91.03936	4.4
91.05464	7.9
93.07009	3.3
95.04940	2.9
96.08117	2.0
97.02882	23.2
97.06514	2.9
98.97578	12.2
99.04431	3.4
103.05438	3.2
105.06991	1.4
105.24051	1.2
107.04949	11.1
109.02865	7.4
109.06493	4.3
110.06017	3.3
110.97545	1.3
111.04409	2.4
112.07572	4.4
116.98629	8.5
119.01915	4.2
119.04931	12.3
121.02854	9.2
121.06477	4.9
123.04420	1.2
124.07584	11.1
125.05953	5.2
127.03893	15.1
128.98564	2.4
130.08549	2.0
131.01895	2.0
131.04880	3.8
132.95837	1.2
134.05957	1.8
134.99641	4.4
135.04399	11.4
135.08051	2.0
136.05190	2.0
137.05959	60.8
138.05486	6.1
139.03886	4.5
140.04674	4.8
140.07066	2.1
143.00101	1.8
145.03557	1.1
145.03943	1.2
145.04961	10.2
146.99667	1.9
147.04344	7.0
148.05096	1.7
149.01128	1.6
149.02917	1.5
149.05913	5.6
151.07518	23.0
152.07045	46.2
153.05437	22.7
155.01855	1.9
155.07013	3.0
157.03479	1.8
158.99670	2.0
161.01186	2.6
161.02946	2.9
162.05415	2.6
163.02689	1.5
163.03946	3.8
163.07533	4.5
166.06253	1.8
167.06996	7.2
170.08124	3.6
170.99652	1.8
173.02922	4.0
174.96951	1.9
175.04497	1.9
177.00694	3.0
177.05409	3.6
180.06526	44.2
181.05017	13.4
181.06879	2.2
181.08565	90.5
198.07594	100.0
199.06133	6.3
199.07907	3.0
199.09583	6.7
203.04056	1.6
209.07936	1.7
216.03171	3.0
216.08636	56.7
216.11984	2.5
217.08990	3.0
219.01700	4.7
221.04973	2.4
222.03308	1.5
223.05260	3.9
224.06105	1.3
227.09135	2.2
232.05885	2.5
234.98994	3.6
235.09755	1.5
237.02774	11.4
245.04958	1.5
250.03198	2.1
252.05728	2.7
255.07307	1.5
265.07669	1.7
268.04279	4.0
273.08472	1.3
283.04935	3.5
288.08658	2.2
294.92563	1.3
295.07529	1.6
305.08777	2.3
307.04791	2.8
314.10760	1.5
319.12216	1.8
325.05908	2.3
368.62131	1.6
378.02859	1.9
378.07928	7.0
378.12418	2.0
378.24875	2.8
379.10437	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01855	1.8
55.05478	0.9
57.03422	2.9
60.05647	4.5
62.95020	0.7
67.05479	1.5
69.00878	0.9
69.03411	2.9
69.07048	0.9
69.56876	5.2
69.57285	1.5
70.52840	0.7
71.04965	2.2
75.04446	0.8
79.05476	2.6
81.03409	1.7
81.07018	1.6
83.04967	1.6
85.02882	2.4
85.06521	1.5
86.03532	8.0
87.04444	0.9
91.05447	5.6
93.07056	1.3
95.01241	1.0
95.04960	3.0
95.08615	1.6
97.02871	1.0
97.06501	1.3
99.04436	1.6
103.05444	2.9
103.87994	0.8
105.07025	1.4
107.04926	1.1
107.08578	3.7
108.91601	0.8
109.02849	1.2
109.06499	2.5
111.04403	1.8
113.05968	1.4
117.07026	2.0
119.04914	3.6
121.06485	3.4
123.04410	1.1
125.09610	2.6
127.03896	2.2
130.06412	0.9
131.04909	3.7
133.02797	0.8
135.08012	7.0
137.05969	7.2
139.07457	1.0
145.06467	1.6
147.04385	3.6
149.05971	4.2
151.07518	10.2
152.06226	1.0
153.05492	6.1
153.06874	5.2
153.09096	2.5
155.08504	2.7
157.06525	1.3
161.05971	1.2
163.07474	5.6
165.06966	9.7
167.07036	2.2
168.05739	2.2
169.06458	1.7
171.08026	0.8
171.10216	0.8
175.07486	1.6
177.09114	1.9
181.06467	8.0
181.08572	1.2
182.07280	1.7
183.08017	10.7
184.05080	4.0
185.05943	3.2
187.07436	1.5
188.07013	1.1
193.06448	1.9
195.04518	1.0
195.06459	2.4
195.08057	0.9
196.05197	2.1
197.05959	1.8
197.07950	0.9
197.09647	1.6
197.11668	1.5
197.15385	1.3
198.06714	2.4
199.07516	7.7
199.09395	1.3
200.08131	1.7
207.04416	2.7
209.05960	3.6
209.48767	0.8
210.06688	2.0
211.07492	13.7
212.04691	3.5
212.07918	2.0
213.05472	3.7
213.09135	1.0
215.10626	3.4
215.14680	1.4
221.05887	1.0
223.03900	5.2
223.07483	1.4
225.05527	1.1
225.09132	3.6
226.06183	2.6
227.06985	15.9
228.07683	2.6
237.05432	3.1
239.07019	5.5
241.04930	2.9
241.08563	3.5
242.09184	1.2
243.10168	10.3
245.08124	1.7
253.08525	2.1
254.05762	0.9
255.06505	10.0
256.07196	1.8
269.07993	2.3
271.09604	18.0
271.54230	0.9
272.07053	1.0
272.10211	2.8
275.12683	1.3
278.11258	6.5
288.09872	100.0
289.10217	3.8
292.12918	5.9
300.09894	2.8
301.10696	10.2
302.11414	50.9
303.12198	47.5
304.12527	2.7
318.10843	3.8
345.13528	0.9
377.15030	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.05500	0.5
57.03415	0.3
60.05637	0.4
65.03922	0.9
67.05488	0.9
68.95837	0.3
69.03413	1.7
69.07052	0.7
71.04964	0.5
71.61739	0.4
75.02624	0.3
79.05472	3.7
81.03401	3.3
81.07035	3.3
83.04973	1.0
85.02866	0.7
85.06525	0.7
86.03522	0.8
87.04465	0.4
91.05505	0.7
93.07014	1.1
94.04181	0.5
95.04959	2.1
95.08576	0.9
96.05750	1.7
97.02863	0.3
99.04411	0.9
105.07008	0.6
107.08556	0.9
108.05666	0.4
109.02850	0.9
109.06493	2.4
109.10149	0.5
111.04396	0.4
111.08096	1.5
113.05973	0.6
119.08563	0.6
121.02855	0.3
121.10107	1.0
122.03622	2.1
123.08004	0.3
124.05181	3.5
125.05907	0.3
127.03831	0.5
128.04683	0.4
129.05446	0.5
133.10168	0.4
134.10426	0.3
135.08051	0.6
137.02306	1.1
137.05971	1.0
138.06306	0.5
139.07498	5.2
141.01791	0.9
147.11589	0.5
151.03899	1.1
152.04663	8.1
154.06210	0.9
156.04146	1.2
156.96811	0.3
159.11557	0.4
163.07654	0.3
165.07513	0.3
167.06970	1.1
177.09082	0.5
178.09416	0.4
181.04926	0.3
181.08548	0.4
184.03709	0.4
185.08076	1.6
195.06496	100.0
196.06848	2.3
197.15349	0.4
198.11832	0.4
199.09494	0.3
213.07553	0.7
220.91800	0.3
278.11450	0.5
292.12680	0.5
377.12201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.145
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
52.99298	0.4
53.03937	2.5
55.01850	0.9
55.05494	0.4
57.03438	6.0
59.04997	0.5
60.05624	0.9
61.02921	2.9
69.03423	12.2
69.99565	2.6
70.06550	0.4
71.01330	1.7
71.04992	3.6
73.02890	1.8
75.04476	2.6
77.89635	0.5
79.05492	0.6
81.03411	3.9
81.07024	1.8
85.02887	1.0
85.06509	0.6
86.03529	2.0
88.48598	0.5
91.05450	1.4
91.70386	0.4
93.07014	0.8
95.08532	0.5
97.02861	0.7
98.20838	1.0
99.04443	4.7
105.06979	0.6
107.04937	0.6
107.08556	0.5
109.06470	1.0
113.02315	1.3
115.52676	0.4
117.05475	1.0
121.02831	0.8
125.05930	0.5
127.03889	0.7
133.10080	0.5
137.05974	9.7
145.07567	1.3
157.06264	0.6
161.09528	0.6
170.07133	1.2
172.08682	23.1
173.09045	0.6
177.05342	0.4
179.10620	3.3
186.99338	0.4
190.09747	1.0
197.11717	5.7
198.06592	4.8
200.08191	3.4
214.09808	0.7
214.14410	0.6
215.07014	0.6
215.12857	0.6
215.14734	1.7
216.07677	14.6
218.09242	0.8
243.08757	60.5
244.07108	1.3
244.09146	1.3
278.11386	1.0
292.12836	1.2
297.09048	0.4
312.41574	0.4
317.10495	0.5
359.13464	2.5
377.14520	100.0
378.14859	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	377.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76856	1.9
53.03933	2.5
55.01852	8.3
57.03423	13.4
58.17197	1.9
59.05413	2.0
61.02917	16.5
62.38326	2.2
69.03075	2.2
69.03416	32.5
69.51804	6.9
69.52232	8.5
70.28764	2.4
71.04977	4.3
73.02898	15.2
81.03415	11.1
83.04935	2.6
85.02891	100.0
86.03188	5.6
87.04443	5.0
91.03962	5.1
97.02882	30.8
98.20718	2.3
99.04430	7.7
101.00849	7.1
101.02364	2.1
102.67365	1.8
103.02464	2.1
109.02837	6.5
111.02925	2.6
114.02221	2.1
115.02425	4.2
115.03903	2.6
119.01897	33.4
120.01998	5.5
121.01614	6.4
121.04211	2.1
121.06452	3.1
122.06792	3.3
127.03903	36.4
131.01881	12.9
133.03415	5.1
135.03233	2.5
135.04317	2.6
136.07513	5.2
136.49997	2.5
137.02869	7.5
139.02380	3.4
143.01845	11.5
145.03386	13.1
145.04979	23.9
146.05133	4.0
147.03140	2.5
148.04639	4.6
149.02927	2.5
149.04724	1.8
153.03104	3.2
153.53250	4.3
154.03024	2.4
154.04701	3.4
154.08607	12.9
155.01831	7.2
157.01471	2.6
157.03433	21.7
158.03540	2.9
159.01381	3.5
161.02924	20.9
162.02968	3.5
163.03891	6.2
169.03456	6.4
171.01337	7.3
173.02921	13.6
175.04535	13.6
176.04597	2.8
177.02429	3.7
181.05464	3.5
183.55034	2.8
184.04135	2.8
184.05771	44.3
184.55809	9.1
185.02977	10.4
187.00856	2.9
187.02705	3.0
187.04428	4.1
189.02361	6.3
193.06305	40.9
193.56361	7.4
195.01326	10.0
197.02882	2.6
201.02386	4.1
202.06844	2.5
203.03943	4.8
204.55179	2.3
205.05438	6.6
205.55765	4.3
206.05374	8.5
206.55560	3.7
207.01472	3.8
207.03404	4.7
211.04465	2.2
213.02400	17.2
213.04213	2.8
219.03412	2.1
221.04999	6.4
223.04533	2.9
223.06586	42.3
224.06726	7.5
225.02417	6.6
225.06407	2.2
229.01898	2.7
231.03511	17.4
241.07651	18.4
245.05014	6.1
246.05237	4.5
249.04686	2.8
257.01410	3.5
259.03140	2.0
259.06570	8.8
261.04440	2.5
265.07651	66.4
266.07816	10.8
271.06573	5.0
273.04544	4.1
274.08914	2.5
275.02448	16.2
277.07596	7.0
287.02478	3.1
295.08664	6.9
305.03378	2.4
305.07034	2.3
315.05551	3.9
317.03668	4.4
317.06839	3.4
319.05173	2.9
333.06494	3.9
335.04163	3.5
335.08151	5.0
347.04474	3.1
351.07486	2.8
353.09097	6.7
367.10934	5.9
377.04684	87.6
378.05273	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	377.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76856	1.9
53.03933	2.5
55.01852	8.3
57.03423	13.4
58.17197	1.9
59.05413	2.0
61.02917	16.5
62.38326	2.2
69.03075	2.2
69.03416	32.5
69.51804	6.9
69.52232	8.5
70.28764	2.4
71.04977	4.3
73.02898	15.2
81.03415	11.1
83.04935	2.6
85.02891	100.0
86.03188	5.6
87.04443	5.0
91.03962	5.1
97.02882	30.8
98.20718	2.3
99.04430	7.7
101.00849	7.1
101.02364	2.1
102.67365	1.8
103.02464	2.1
109.02837	6.5
111.02925	2.6
114.02221	2.1
115.02425	4.2
115.03903	2.6
119.01897	33.4
120.01998	5.5
121.01614	6.4
121.04211	2.1
121.06452	3.1
122.06792	3.3
127.03903	36.4
131.01881	12.9
133.03415	5.1
135.03233	2.5
135.04317	2.6
136.07513	5.2
136.49997	2.5
137.02869	7.5
139.02380	3.4
143.01845	11.5
145.03386	13.1
145.04979	23.9
146.05133	4.0
147.03140	2.5
148.04639	4.6
149.02927	2.5
149.04724	1.8
153.03104	3.2
153.53250	4.3
154.03024	2.4
154.04701	3.4
154.08607	12.9
155.01831	7.2
157.01471	2.6
157.03433	21.7
158.03540	2.9
159.01381	3.5
161.02924	20.9
162.02968	3.5
163.03891	6.2
169.03456	6.4
171.01337	7.3
173.02921	13.6
175.04535	13.6
176.04597	2.8
177.02429	3.7
181.05464	3.5
183.55034	2.8
184.04135	2.8
184.05771	44.3
184.55809	9.1
185.02977	10.4
187.00856	2.9
187.02705	3.0
187.04428	4.1
189.02361	6.3
193.06305	40.9
193.56361	7.4
195.01326	10.0
197.02882	2.6
201.02386	4.1
202.06844	2.5
203.03943	4.8
204.55179	2.3
205.05438	6.6
205.55765	4.3
206.05374	8.5
206.55560	3.7
207.01472	3.8
207.03404	4.7
211.04465	2.2
213.02400	17.2
213.04213	2.8
219.03412	2.1
221.04999	6.4
223.04533	2.9
223.06586	42.3
224.06726	7.5
225.02417	6.6
225.06407	2.2
229.01898	2.7
231.03511	17.4
241.07651	18.4
245.05014	6.1
246.05237	4.5
249.04686	2.8
257.01410	3.5
259.03140	2.0
259.06570	8.8
261.04440	2.5
265.07651	66.4
266.07816	10.8
271.06573	5.0
273.04544	4.1
274.08914	2.5
275.02448	16.2
277.07596	7.0
287.02478	3.1
295.08664	6.9
305.03378	2.4
305.07034	2.3
315.05551	3.9
317.03668	4.4
317.06839	3.4
319.05173	2.9
333.06494	3.9
335.04163	3.5
335.08151	5.0
347.04474	3.1
351.07486	2.8
353.09097	6.7
367.10934	5.9
377.04684	87.6
378.05273	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	377.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27952	0.6
64.13853	0.5
70.62953	1.0
70.63354	1.2
85.02964	0.7
94.93065	0.8
112.33823	0.6
112.89616	7.0
114.89429	1.6
122.17134	0.6
136.94090	1.1
153.03319	1.5
162.03793	1.3
162.53854	1.2
174.53822	0.5
184.19479	0.6
198.98640	0.8
204.87003	0.9
205.05608	5.3
205.55794	2.3
212.85335	1.7
214.85114	1.2
221.04185	5.1
256.97476	1.1
261.02216	10.3
262.02332	0.8
278.95215	0.7
281.05685	0.7
284.97113	1.1
286.08200	7.8
286.58340	4.1
303.03241	33.0
304.03543	1.9
305.05811	0.8
316.94559	5.1
317.01181	100.0
317.94876	0.7
318.01373	5.4
321.04053	1.0
334.95508	1.5
335.02222	1.9
340.85144	0.7
340.98807	21.4
341.99048	1.9
358.90704	1.0
377.03305	81.8
378.03473	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	377.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11398	3.1
55.01862	6.3
57.03415	7.1
61.02913	8.9
63.01480	3.2
66.55564	3.7
69.03410	27.0
71.62062	4.7
73.02915	8.3
81.03399	4.0
85.02895	52.8
87.04434	4.8
91.05428	5.3
97.02872	17.5
99.04455	4.7
101.00872	5.7
109.02865	4.5
119.01901	22.3
121.06488	9.4
122.06808	11.8
127.03896	25.7
131.01823	5.1
137.02902	5.6
143.01862	5.6
145.03444	10.5
145.04967	14.4
151.73709	4.2
155.01776	4.1
157.03415	18.7
158.03542	4.3
161.02928	12.4
163.03822	22.4
165.74854	3.7
167.06987	5.7
173.02986	6.3
175.04457	8.3
184.05820	26.3
184.55901	4.5
193.06325	27.0
193.56477	6.5
205.05437	6.1
210.78674	4.0
213.02406	7.0
221.02933	4.1
221.04959	5.7
223.06615	33.9
224.06841	6.6
231.03423	7.0
241.07674	8.1
257.01660	3.7
265.07663	43.0
266.07779	6.5
275.02554	7.8
317.03677	4.8
377.04620	100.0
377.08487	77.1
377.11963	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	376.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07066	33.4
58.07378	0.3
60.34760	0.2
81.07032	0.4
84.08118	0.4
91.05460	0.2
93.07037	0.5
95.08564	0.4
98.20747	0.5
105.06986	0.2
107.08602	0.5
108.04457	0.3
109.10115	0.3
119.08575	0.4
121.06466	0.6
121.10099	0.4
124.08735	0.4
125.07096	3.7
126.05480	3.8
131.08528	0.2
134.07117	0.3
135.05513	0.4
135.11694	0.3
136.03865	0.3
136.41057	0.2
145.10085	0.2
147.11597	0.2
187.14851	0.2
191.11761	0.7
192.10225	0.3
208.14398	2.0
209.12817	9.8
210.11279	1.1
211.05736	0.2
217.41093	0.2
218.12845	3.6
219.11247	2.0
256.20547	0.2
260.15161	0.7
274.19067	0.6
275.17502	6.6
276.17685	0.3
292.20123	7.9
293.18503	7.0
294.18933	0.3
302.18576	16.0
303.18927	0.8
317.24701	0.6
335.25800	0.7
342.98044	0.2
343.22449	0.4
355.19525	0.3
358.24954	1.1
376.25867	100.0
377.26205	6.5
377.31311	0.3
394.21735	0.3
394.26929	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	376.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10048	0.3
53.03927	0.9
55.01870	0.4
57.03425	0.5
69.03422	0.9
71.61469	0.8
81.03407	0.5
85.02885	3.1
91.03938	0.5
91.05483	2.8
93.07034	4.9
95.04972	0.7
97.02870	1.0
99.04506	0.4
103.05446	3.1
119.01931	0.9
121.06487	100.0
122.06787	1.7
127.03874	0.6
131.01874	0.4
138.09117	34.5
138.64247	0.3
139.09523	0.4
143.01898	0.7
145.03476	0.5
145.05008	1.1
152.46429	0.4
153.03183	1.9
153.53174	0.4
157.03430	1.1
161.02933	0.5
174.03740	1.1
183.73994	0.3
186.88882	0.4
195.06979	0.3
204.04868	0.7
205.05576	1.3
205.55634	0.7
214.04900	0.4
223.06689	0.8
259.06754	0.5
265.07697	0.6
317.01270	0.9
344.31918	0.5
376.10269	5.3
376.14740	0.6
377.04224	0.8
377.08426	1.5
377.12192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26450	0.4
53.03937	1.1
53.07838	0.4
55.01861	0.5
57.03421	0.5
61.02903	0.4
65.03931	1.2
67.05499	0.6
69.03426	2.9
71.04971	1.0
79.05478	0.7
81.03414	7.8
81.07024	0.7
84.41355	0.5
84.80573	0.4
85.02899	5.4
86.06036	0.4
86.09689	0.8
91.05463	0.6
93.07030	1.0
95.04951	5.1
95.08560	0.6
97.02891	4.3
99.04444	1.5
102.91365	0.4
105.03355	0.8
105.06992	0.5
107.04949	0.7
107.08592	0.5
109.02856	4.2
109.06463	0.6
111.04438	1.2
119.04959	0.6
119.08568	0.9
120.08122	0.6
121.02855	100.0
122.03196	1.0
123.04356	0.5
124.07568	1.0
127.03923	3.6
133.10088	1.1
135.11719	0.6
137.05956	1.6
138.06282	0.5
138.09073	0.9
139.03883	19.6
145.04996	0.9
149.09647	0.7
161.09576	2.3
167.07051	1.1
168.07332	0.7
178.12328	0.5
179.10661	3.7
180.88078	0.5
195.06546	0.6
196.13292	0.5
197.11700	2.7
214.14348	4.4
229.50620	0.6
247.06047	1.0
249.15642	0.4
262.00259	0.4
265.04266	1.1
265.07031	13.9
274.06152	0.4
283.08099	27.7
284.08533	0.9
326.29767	0.4
376.13376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95164	0.2
51.02372	0.2
51.49463	0.2
53.03942	0.4
55.01875	0.2
57.03428	0.4
61.02922	0.4
61.96552	0.2
69.03415	1.1
69.82053	1.4
73.02912	0.4
73.70653	0.2
77.03927	0.3
81.03384	0.5
85.02885	1.8
86.33475	0.2
87.04452	0.2
91.05466	2.8
93.07030	5.1
95.04959	1.1
97.02865	1.1
99.04439	0.4
101.00851	0.4
103.05457	3.2
105.04529	0.3
109.02879	0.2
119.01913	1.1
121.06484	100.0
122.06826	1.5
127.03899	0.7
131.01878	0.7
133.03436	0.8
137.04568	0.5
137.05911	0.2
138.09114	34.1
139.09407	0.2
143.01912	0.4
145.03453	0.8
145.04994	0.3
155.01881	0.5
157.03441	0.7
158.03662	0.2
159.05009	0.3
161.02945	0.7
169.03439	0.3
169.06940	0.2
173.02954	1.0
175.04523	0.7
185.02890	0.5
187.04448	0.4
189.06055	0.3
193.03470	0.2
199.04430	0.4
203.03979	0.6
211.04431	0.4
215.00189	0.2
221.05049	1.3
223.06523	0.6
227.07553	0.8
227.57715	0.6
242.08148	0.3
245.04987	0.8
247.06590	0.3
259.06619	3.7
265.07718	0.3
273.04471	0.7
277.07733	0.3
279.09100	0.5
287.06024	0.5
291.05609	0.3
317.07285	1.1
335.08170	3.6
368.63968	0.2
377.09222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65583	0.4
53.03939	0.8
54.32008	0.4
57.03423	0.5
65.03931	0.9
69.03426	3.3
69.55704	3.8
71.04978	0.9
75.85188	0.4
81.03410	7.6
81.07056	0.7
82.11407	0.4
83.92567	0.4
85.02883	5.2
91.05487	0.7
93.07029	0.6
95.04948	5.4
97.02881	5.3
99.04440	1.1
105.03361	1.2
105.07007	0.5
107.04871	0.5
107.08571	1.1
109.02873	4.0
111.04426	1.5
115.21942	0.5
121.02851	100.0
122.03165	1.6
123.08049	0.5
124.07589	1.0
127.03883	3.3
131.08575	0.6
133.10138	0.7
135.08096	0.5
135.11665	1.2
137.05939	1.8
137.09703	0.6
138.09105	0.9
139.03874	18.0
145.04948	1.5
150.12880	0.5
151.03947	0.5
151.07495	0.6
161.09628	1.9
167.07018	0.9
178.12254	0.5
179.10620	3.1
195.06546	1.5
196.13318	0.5
197.11708	4.4
214.14359	4.8
247.06023	0.7
265.07053	14.5
283.08084	24.4
284.08331	0.7
376.13168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50616	0.5
51.99589	0.5
53.03939	4.0
55.01867	0.7
55.05489	0.9
55.33830	0.5
57.03420	1.4
62.65339	0.5
67.05499	0.7
69.03419	9.0
69.07043	2.0
70.06563	1.1
71.04980	1.3
71.35178	1.6
74.03288	0.5
77.03923	0.8
79.05475	6.0
81.03407	13.6
81.07043	1.4
84.04502	0.7
85.02895	11.7
86.09725	0.7
87.54076	0.6
93.07045	1.5
94.07400	0.7
95.04935	3.5
95.08601	2.1
97.02890	7.7
97.06535	0.9
99.04450	2.5
99.08057	1.3
105.03375	100.0
105.07007	1.2
106.03687	1.6
107.08588	2.1
107.19088	0.6
108.08863	0.9
109.02863	10.6
109.06480	1.1
109.10162	0.9
111.04413	0.7
111.08037	0.7
119.08556	0.8
121.10123	2.7
122.10474	1.2
123.04400	13.9
123.08069	0.9
124.07581	4.8
127.03904	8.8
131.08498	0.7
133.10123	1.0
135.08075	0.6
135.11694	0.6
137.05962	1.3
138.09116	2.1
145.04926	3.3
150.12749	1.6
161.09563	2.9
162.02260	1.2
165.05522	0.6
177.16371	2.0
178.12285	1.6
178.16667	4.9
179.10649	4.9
181.27573	0.6
195.06509	0.8
196.13275	1.5
197.11786	1.1
213.18466	0.8
214.14351	17.7
214.18791	1.9
231.06451	1.3
249.07550	31.1
267.08594	38.3
268.09015	1.0
376.15253	0.8
376.19675	1.1
377.13971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.237
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03923	3.0
55.01844	3.2
55.05502	6.0
57.03408	2.6
57.07053	1.2
62.28266	1.0
67.05473	4.6
69.03419	13.3
69.07049	10.6
69.91727	1.9
69.92139	4.6
71.04981	5.5
73.02894	2.8
74.00679	1.2
79.05467	8.8
81.03411	9.5
81.07040	16.2
83.04968	2.1
83.08617	6.9
85.02886	15.6
85.06522	5.4
86.09667	1.2
87.04442	1.5
91.05444	4.2
93.07025	13.2
95.04935	5.9
95.08585	22.0
97.02872	6.3
97.06476	2.2
97.10156	3.5
98.21450	1.4
99.04426	3.2
99.08070	17.0
101.05991	1.4
105.03371	56.3
105.07005	5.3
107.04908	1.9
107.08572	29.9
109.02857	6.5
109.06481	2.5
109.10121	9.8
111.04429	1.7
111.08086	7.1
113.09576	1.7
117.06952	1.5
119.08567	3.4
121.02741	1.2
121.06455	3.0
121.10117	45.2
123.04400	9.7
123.11668	1.1
124.07610	1.7
125.09602	6.4
127.03889	8.1
131.08542	1.8
133.10086	4.0
135.08029	2.4
135.11652	8.6
137.05945	7.2
137.09581	3.8
137.13246	6.2
139.11090	1.8
145.04915	3.4
147.11629	1.8
149.09605	1.4
149.13237	3.0
151.03888	5.3
151.07506	1.7
153.05490	1.2
159.11723	1.6
161.05899	2.8
161.09560	3.9
163.11024	1.4
165.09073	2.5
167.07028	3.4
175.07527	1.7
177.05351	2.4
177.09018	2.5
177.16351	100.0
178.16664	2.2
179.10635	4.2
195.13667	2.3
195.17410	16.1
197.11713	1.2
213.15213	1.5
213.18440	36.4
214.14322	4.7
214.18884	1.6
218.05493	2.4
221.17618	1.2
245.08267	1.0
249.07549	15.6
267.08597	19.6
315.09665	1.4
345.13181	1.6
356.95255	1.3
357.13177	2.7
375.14792	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	375.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08867	0.6
53.03936	3.7
55.01663	0.6
55.01865	6.7
55.05501	20.3
57.03426	7.5
57.07064	4.3
59.04980	3.6
59.53735	0.6
61.02916	11.2
67.05495	8.1
69.03419	38.1
69.07058	37.9
69.46411	6.5
71.04980	11.3
73.02904	5.7
75.66064	0.7
79.05488	3.8
81.03403	13.5
81.07047	25.3
83.01326	0.9
83.04969	8.6
83.08610	9.5
85.02892	80.5
85.06531	22.2
86.03214	1.6
87.04459	6.0
87.08086	1.0
91.03939	4.7
91.05444	2.0
93.07040	12.8
95.08592	41.2
96.08916	1.0
96.33617	0.7
97.02876	27.9
97.06517	4.8
97.10153	12.2
98.03220	0.7
99.04436	5.0
99.08078	20.7
101.02370	1.0
105.06989	1.1
106.48526	0.6
107.08572	22.8
108.63882	0.7
109.02858	9.6
109.06425	0.7
109.09435	1.3
109.10138	16.3
111.08047	3.0
111.11703	5.9
112.06931	0.7
113.09615	8.4
115.03941	0.9
119.08577	1.0
121.10127	32.9
121.11014	1.7
122.10477	0.9
123.08069	1.3
123.11688	8.9
125.09628	6.8
125.13277	0.9
127.03890	18.6
127.11155	1.6
135.11670	18.0
137.13237	20.1
139.11177	8.7
145.04938	14.8
147.11607	0.9
149.13231	4.7
151.07425	0.7
151.14793	4.8
153.12724	12.3
163.05974	0.7
177.09085	2.9
177.16360	100.0
178.16684	4.6
193.08499	1.4
195.17416	45.5
196.17772	2.9
211.16719	0.8
213.09245	1.0
213.18465	73.7
214.18878	3.0
224.06961	0.9
339.21481	1.1
375.14337	0.7
375.23660	11.0
382.53186	0.7
387.44638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.0
55.05496	5.4
57.03415	1.3
57.07059	1.3
61.02900	1.1
67.05486	4.0
69.03416	4.8
69.07059	11.1
69.92435	2.9
69.92842	1.6
71.04977	3.2
73.02911	0.8
79.05471	4.8
81.03420	1.6
81.07042	12.8
83.04998	1.5
83.08600	6.0
85.02888	10.9
85.06528	7.0
91.05456	3.6
93.07022	12.9
95.01347	1.7
95.04963	1.3
95.08592	24.6
95.43916	0.8
97.02868	2.8
97.06532	1.1
97.10157	3.7
99.04434	2.2
99.08083	16.8
105.07019	5.6
107.04916	0.9
107.08578	27.7
109.02872	1.1
109.06492	1.0
109.10147	7.3
110.06056	1.5
111.04404	1.1
111.08051	9.2
113.02332	4.4
113.09610	1.9
117.07049	0.9
119.08577	2.6
121.10121	48.5
122.10487	1.3
123.04424	1.3
123.08054	2.0
123.11675	2.5
125.09613	6.4
127.03891	2.1
133.06485	0.9
133.10071	1.7
135.11690	9.3
136.11996	1.0
136.44484	0.8
137.05960	2.0
137.09616	1.6
137.13258	4.3
139.03894	1.0
139.11212	1.3
145.04951	2.9
149.13235	3.1
151.03873	2.7
151.07416	1.1
151.11075	1.6
159.11702	0.9
161.05960	1.0
163.06056	1.5
165.09026	1.1
167.06956	4.7
175.07584	1.1
177.09053	6.3
177.16354	100.0
178.16785	4.5
193.08574	2.8
195.13773	2.0
195.17406	20.1
213.15125	5.1
213.18457	35.0
214.18811	2.7
221.11626	1.4
265.08594	0.9
273.18289	0.8
303.08484	1.2
375.14618	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05497	1.3
57.03417	1.2
57.07070	0.7
65.03933	0.6
67.05486	2.9
69.03428	2.1
69.07063	3.3
71.04971	1.0
71.62108	0.6
79.05477	3.8
81.03395	1.3
81.07047	6.7
83.04944	0.7
83.08627	0.8
85.02893	2.8
85.06529	1.2
89.45518	0.4
90.21481	0.4
91.05458	3.5
92.22839	0.4
93.07027	3.6
95.04959	1.4
95.08582	5.9
97.02881	1.2
97.06493	1.0
97.10145	0.8
99.04426	1.3
99.08080	1.2
101.55727	0.4
103.05444	0.7
105.07016	9.3
107.04984	1.0
107.08580	4.3
109.02875	0.8
109.06503	1.1
109.10134	4.2
111.04433	0.7
111.08062	0.9
111.11670	0.4
115.05444	1.9
117.06990	3.3
118.90056	0.4
119.04911	1.5
119.08546	1.3
121.06503	1.7
121.10133	4.1
123.04411	1.7
123.08024	2.4
123.11697	4.0
125.05912	0.6
125.09596	2.4
127.03898	1.2
129.07036	0.6
131.04849	0.6
131.08548	0.5
132.05746	0.6
133.06479	8.0
133.10103	1.7
135.08040	1.4
135.11699	1.2
137.05959	1.2
137.09569	1.8
139.07573	0.5
139.11104	0.9
143.04889	0.4
143.06029	0.8
143.08530	0.8
145.06458	0.7
145.10109	0.7
147.04411	1.0
147.11650	0.9
148.03952	0.7
149.05991	0.7
149.09566	0.9
149.13234	0.8
151.03854	0.9
151.07518	10.4
151.11157	1.8
152.04637	0.5
155.10573	0.6
160.05188	0.6
161.05966	7.5
162.06744	2.0
163.07510	0.6
163.11208	0.5
167.07024	14.3
169.12242	1.0
171.07983	0.6
173.13301	0.5
175.07533	2.1
177.09082	100.0
177.16341	4.2
178.06226	0.5
178.09421	2.5
179.10637	0.6
193.08578	44.3
194.08907	1.7
195.08276	0.6
195.10126	6.6
195.11824	0.5
195.13828	1.3
195.17455	2.0
203.10667	1.3
211.17010	0.5
213.09106	0.6
213.14774	1.0
213.18478	4.1
221.11713	9.5
224.07034	1.2
227.08055	0.5
306.40274	0.4
318.79230	0.6
321.24106	0.6
321.56677	0.4
343.12500	0.5
375.11609	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2371
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
55.05496	4.0
59.66736	1.2
63.02769	1.2
67.05494	2.0
69.03410	2.0
69.07062	8.1
70.71568	3.3
71.04980	1.9
79.05495	2.6
81.07048	8.7
83.08604	5.9
85.02885	5.3
85.06524	2.3
93.07000	6.7
95.08594	20.6
95.96452	1.3
97.10158	2.9
99.08076	10.6
103.33858	1.3
105.07004	1.8
107.08587	22.1
109.10136	5.9
111.08057	4.9
113.09601	2.0
114.56141	1.2
118.86567	1.5
121.09306	2.1
121.10130	36.9
125.09625	4.6
135.11652	6.3
137.13216	4.9
149.13232	3.1
177.16357	100.0
178.16730	4.7
189.08522	1.2
195.17415	18.0
213.18463	30.9
214.18787	1.6
231.63739	1.4
266.10001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15142	0.5
53.03925	0.7
53.52864	0.6
55.01854	1.5
55.05490	0.7
57.03410	1.6
61.02903	2.2
66.52520	0.5
67.05486	1.1
69.03415	4.5
69.07058	1.2
70.34169	0.5
70.91336	1.3
70.91647	0.6
71.04959	1.3
79.05465	1.6
81.03390	2.0
81.07033	2.0
82.18379	0.6
83.04960	0.6
83.10478	0.6
85.02887	13.7
85.06519	0.6
91.03938	0.8
91.05455	2.0
92.05813	0.9
93.07028	2.0
95.04951	0.9
95.08584	1.1
96.08903	0.8
97.02862	3.9
99.04444	0.7
99.08072	1.8
102.30766	0.6
103.05452	8.5
103.76859	0.5
105.03405	0.6
105.06995	3.8
106.46540	0.6
106.97239	0.6
107.04922	10.7
107.08582	1.2
109.02840	1.8
109.10135	1.4
110.10454	0.9
115.05434	0.7
119.08572	1.0
120.05688	0.9
120.08887	0.7
121.06481	1.8
121.10101	1.4
123.04405	0.7
123.11639	0.8
124.05264	0.7
127.03901	3.1
131.04906	2.3
133.10167	0.9
135.08023	9.2
135.11658	1.1
139.03877	4.6
141.77528	0.6
145.04935	3.0
145.09982	0.6
147.04401	1.6
147.11646	1.0
148.05153	1.0
148.12080	1.1
151.03876	1.1
151.07458	0.6
154.06216	43.8
155.06604	0.9
156.10956	0.6
159.11604	0.9
163.07506	33.9
164.07845	1.3
165.05435	1.2
167.06978	2.1
177.09076	1.4
177.16357	0.8
180.07666	8.6
195.10130	100.0
196.10518	3.4
196.12039	0.7
202.27229	0.7
212.17009	0.7
221.66151	0.6
302.74545	0.7
374.13736	0.7
375.14859	1.3
375.19757	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	374.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.9
58.39000	0.4
61.02906	1.2
69.03417	2.0
70.06568	0.5
70.76709	0.8
70.77116	0.7
79.05444	0.4
81.03387	1.3
84.08098	0.5
85.02894	7.1
87.04459	1.0
89.06014	46.2
90.06332	0.6
91.05433	0.5
97.02876	2.4
99.04404	0.5
107.07035	3.6
109.02827	1.0
110.07145	0.4
117.03370	0.7
124.03931	0.9
127.03880	1.8
133.08577	16.7
137.05890	0.7
145.02824	1.8
145.04878	0.8
147.04364	0.4
149.06006	0.5
151.09647	2.5
167.07056	0.5
177.05432	5.2
177.11191	3.7
194.04538	0.6
195.06522	2.9
195.12248	100.0
196.12601	2.4
212.05588	0.5
374.14697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01850	0.7
57.03415	0.7
61.02900	0.7
61.21883	0.1
63.40402	0.2
67.05486	0.3
68.99780	0.4
69.02615	0.1
69.03076	0.2
69.03421	3.1
69.07047	0.3
69.67897	0.9
69.68308	0.3
70.06577	0.5
71.04964	0.7
72.08140	0.5
72.91296	0.2
73.02901	0.7
78.99918	0.2
79.05467	0.5
81.03397	3.2
81.07040	0.5
83.04966	0.6
84.08127	1.0
85.02887	6.2
86.03234	0.3
86.09684	0.8
87.00821	2.0
87.04469	0.2
91.03934	0.3
91.05464	1.3
93.07013	0.6
95.04959	0.4
95.08582	0.4
97.02869	2.6
97.06496	0.3
99.04433	1.2
101.05975	0.2
103.05433	0.2
105.01830	1.0
105.07011	1.1
106.02885	0.3
107.04938	0.3
107.08572	1.5
109.02852	3.6
109.06484	0.4
110.06033	0.4
111.08031	0.2
117.01852	0.4
117.03407	0.3
118.03654	0.3
119.04962	0.3
119.08544	2.3
120.08080	0.4
121.02846	3.0
121.06454	0.2
121.10136	0.7
123.04433	0.4
123.08035	0.3
124.03935	0.7
125.04282	0.4
125.09559	0.3
127.03889	100.0
128.04225	1.5
129.01842	0.4
129.10205	0.5
131.08545	0.8
133.06467	0.3
133.10114	0.3
135.04430	0.4
135.08040	0.4
137.05942	1.0
137.09575	0.4
139.03912	0.4
145.02831	0.7
145.04962	1.3
146.03133	0.6
147.04352	0.3
147.08038	0.7
149.05934	0.3
149.09616	0.9
153.09117	0.2
159.02859	1.5
159.08047	0.2
163.03864	0.7
164.04224	0.2
165.09070	1.0
167.06979	0.8
167.10672	0.3
177.05415	1.3
177.09003	0.9
177.16457	0.3
178.05782	2.1
179.07036	0.3
195.04895	0.2
195.06450	0.8
195.10051	1.5
195.13731	0.3
196.06844	1.2
212.09180	0.3
213.03873	0.3
213.11166	8.8
213.14717	0.5
231.04967	0.6
251.07268	0.3
269.08478	0.7
283.07996	0.4
375.11682	0.5
375.15887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87473	0.4
53.03926	0.8
55.01855	0.7
57.03419	1.0
61.02908	1.7
67.05479	0.4
69.03123	0.4
69.03429	4.7
69.59664	2.2
69.60074	0.9
70.06567	0.5
71.04974	0.5
72.08150	0.5
72.50620	0.4
73.02899	1.0
81.03392	1.5
81.07030	0.4
85.02897	16.3
87.04465	0.7
89.03901	3.0
91.03915	1.1
91.05457	1.0
97.02886	5.4
99.04454	1.0
109.02861	1.4
117.03371	12.4
117.04208	0.6
119.04911	0.6
121.06494	0.4
123.04344	0.5
127.03915	3.6
134.03572	1.4
135.04358	1.5
137.05946	0.6
145.02831	40.9
145.04924	4.1
146.03210	0.9
147.04361	0.4
148.77777	0.4
149.05974	7.3
152.06998	0.6
153.05458	0.9
162.03061	0.7
163.03893	3.8
165.04515	0.5
167.06963	0.5
177.05457	100.0
178.05780	2.9
180.08659	1.7
186.05447	0.7
194.08107	1.0
195.06517	63.9
196.06837	1.4
212.07114	0.9
212.09143	1.2
212.12651	0.6
269.80859	0.5
279.08688	0.5
374.12241	0.4
374.18182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40557	0.4
53.03930	0.8
61.02906	0.7
65.80755	0.4
69.03410	1.6
70.78194	1.1
81.03410	1.1
84.08134	0.8
85.02890	3.4
91.05473	2.8
93.07034	4.6
95.04960	1.2
97.02863	2.1
99.47871	0.5
101.44242	0.4
103.05452	3.0
108.90638	0.5
119.01911	1.1
121.06483	100.0
122.06815	2.3
127.03910	1.5
128.04616	0.5
136.07533	1.0
138.09114	33.1
139.09389	0.5
143.01802	0.4
145.01651	0.7
145.03455	0.8
145.04938	0.9
147.04350	0.7
148.07541	2.4
157.03500	0.5
160.31729	0.4
161.02951	0.7
163.02649	1.0
163.03879	0.5
164.07050	0.9
173.02904	0.7
176.07076	2.3
185.06537	0.4
194.08228	3.6
203.04079	0.5
209.01448	0.5
212.09189	2.5
213.02086	0.7
221.04991	0.9
223.06609	0.7
227.07516	0.5
243.07234	0.4
245.05077	0.6
282.26157	0.5
332.12164	0.4
333.10229	1.1
344.53415	0.4
351.09958	1.0
353.34692	0.5
374.08084	1.0
374.14493	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08372	1.0
53.03928	2.2
55.05508	7.9
57.03432	1.3
57.07066	5.6
67.05168	1.6
67.05497	25.6
69.03416	1.7
69.07053	14.8
69.95682	6.7
70.06592	1.3
71.04956	1.2
71.08607	2.3
71.68407	1.2
72.36865	1.1
79.05482	17.8
81.07045	100.0
82.07378	1.8
83.04942	2.0
83.08604	4.9
84.08116	3.3
86.09690	7.6
87.04491	1.5
88.07622	1.5
90.46753	1.3
91.05457	11.4
91.84155	1.2
93.07030	40.7
95.04959	2.1
95.08594	46.8
96.08918	1.3
97.06548	1.7
99.08087	1.5
102.09160	1.3
105.07019	40.0
107.08579	31.7
109.06532	2.1
109.10145	24.8
111.08103	1.7
111.11721	1.8
115.05402	1.2
117.06998	7.2
119.08567	22.5
121.06518	1.8
121.09307	2.1
121.10125	31.8
123.08089	1.6
123.11691	75.1
124.12105	2.1
126.19181	1.2
129.06963	3.0
131.08560	16.4
133.10109	24.8
135.11668	31.7
137.09612	1.4
137.13252	8.5
143.08534	11.0
145.10101	24.9
147.11661	34.4
149.05943	1.7
149.09613	3.4
149.13239	33.6
150.13605	1.7
151.14857	1.3
155.08553	1.7
156.09325	2.4
157.10130	10.8
158.10811	1.4
159.11687	18.1
161.09657	1.5
161.13234	40.2
163.11153	4.7
163.14799	16.7
165.09142	1.2
165.12711	3.7
169.10114	1.5
171.11674	13.2
173.13232	14.7
175.11113	2.7
175.14793	11.3
177.09120	3.2
177.16370	6.9
179.10533	1.5
179.14345	6.1
179.17932	1.5
183.11668	2.4
185.13249	11.7
187.14783	11.6
189.12770	3.2
189.16385	4.7
191.10635	5.3
191.14362	2.9
193.12245	3.9
193.15697	1.3
197.13312	2.1
199.11183	1.4
199.14793	6.5
201.12735	2.7
201.16417	3.6
203.10614	2.7
203.14278	2.7
205.12202	4.4
205.15945	1.2
207.13760	8.5
209.11617	7.2
211.14793	1.9
215.14540	1.2
215.17874	1.9
217.12230	8.0
217.15773	2.3
217.19460	1.3
219.13776	9.6
221.11694	1.2
225.16356	2.4
227.17834	1.9
231.13799	11.3
233.15318	4.0
237.14803	4.8
245.15366	7.1
247.62357	1.3
249.14812	4.3
255.21046	1.6
263.16400	3.7
281.22812	1.8
309.25760	10.4
311.27274	2.4
312.32449	3.6
327.23447	1.6
327.26709	6.5
337.25089	3.6
348.04706	1.5
355.26257	35.1
356.26602	2.3
373.13272	1.1
373.18811	2.9
373.22772	2.6
373.27328	42.8
373.35046	4.6
374.26840	1.6
374.31009	3.3
374.36285	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	373.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
55.05492	10.1
57.03432	1.8
57.07050	5.9
65.03922	1.6
65.57569	1.3
67.05492	28.5
67.99934	1.5
69.03380	1.9
69.07058	18.7
79.05481	17.7
81.03381	1.5
81.07043	100.0
82.07345	1.8
83.04992	2.1
83.08605	10.1
86.09698	1.9
91.05467	17.4
93.06466	2.3
93.07033	41.9
94.44860	1.2
95.04942	3.0
95.08589	56.2
97.06496	3.6
97.10129	2.6
98.20721	3.4
99.04472	1.5
103.05492	2.0
105.07018	57.3
107.08572	43.3
109.06499	2.1
109.10141	52.0
110.96806	1.4
111.11690	3.4
117.07021	11.6
119.07784	1.9
119.08572	26.0
121.06495	1.4
121.10123	44.6
123.11684	71.0
125.47401	1.2
128.06189	1.9
129.06981	4.5
131.08548	27.1
133.10110	47.6
135.11673	42.3
137.09550	1.8
137.13219	9.8
139.07541	1.3
142.07790	4.2
143.08548	16.1
145.09039	2.3
145.10107	40.8
145.11273	2.0
146.10411	1.8
147.07990	2.2
147.11668	53.0
148.11848	1.8
149.05972	3.1
149.09595	7.1
149.13237	37.3
151.07492	2.0
151.11191	1.7
151.14847	3.4
155.08531	3.6
156.09309	2.0
157.10101	22.2
158.10503	1.6
159.11668	30.3
161.09557	2.2
161.13235	36.1
163.11189	6.5
163.14798	21.2
165.16394	3.2
169.10081	4.1
171.11647	16.4
173.09587	1.6
173.13219	21.5
175.07524	1.6
175.11217	2.9
175.14793	9.7
177.09067	3.7
177.12677	8.7
177.16325	8.8
179.10573	1.5
179.14297	3.8
183.11610	3.2
185.09604	1.9
185.13237	15.3
187.14784	17.4
189.09007	2.3
189.12708	2.3
189.16380	6.9
191.10648	8.7
191.14304	2.7
193.12251	4.1
195.10188	4.8
197.13174	2.9
199.11208	2.7
199.14807	11.7
201.16405	7.1
203.10605	4.8
203.14259	3.0
203.17905	2.3
205.12245	6.5
205.15889	2.6
207.13777	5.6
209.11662	17.6
211.14888	1.9
213.12579	2.1
213.16284	2.2
215.14290	1.9
215.17920	1.7
217.12247	9.9
217.15779	2.9
218.12383	1.4
219.13725	7.2
221.11729	2.5
225.16357	3.2
227.14351	1.9
227.18010	2.0
229.15762	1.9
229.28899	1.7
231.13779	19.0
233.15341	5.7
235.13292	1.6
237.14908	2.2
239.17838	2.5
241.19652	1.9
245.15303	10.3
246.25485	1.4
249.14786	4.8
253.15994	1.5
253.19403	2.0
255.21045	4.3
263.16382	4.9
271.16953	1.4
281.22623	4.2
309.25677	18.7
311.27206	8.4
327.26801	10.8
337.25269	8.7
343.08163	2.1
355.26224	56.3
356.26572	6.0
356.30609	1.5
373.12756	3.0
373.27319	71.7
374.27463	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	373.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01849	1.6
55.05500	5.2
56.70315	0.9
57.03425	1.9
59.04975	1.7
61.02910	2.7
67.05488	7.9
69.03417	10.9
69.07055	2.7
71.04973	3.4
71.05572	1.9
79.05476	3.5
81.03394	3.7
81.07044	8.9
83.04967	3.5
83.08596	3.2
85.02415	1.6
85.02893	20.6
85.06525	3.8
87.04471	1.4
87.71726	1.3
90.27003	1.0
91.03935	2.1
91.05490	2.4
93.07023	17.6
95.04960	12.9
95.08591	22.1
97.02863	6.9
97.06524	1.1
97.10178	1.1
99.04440	10.0
99.08077	100.0
100.08389	1.8
101.05986	1.8
105.06988	2.9
107.08580	13.4
109.02873	2.8
109.06481	2.9
109.10138	23.4
111.08071	1.9
113.05997	1.7
113.09607	2.1
119.08577	7.2
121.10120	4.6
123.08059	1.8
123.11707	6.1
125.09607	4.1
127.03905	5.2
133.10141	5.5
135.11667	21.2
137.09589	11.1
139.11154	1.3
145.04926	5.0
147.11578	1.1
151.11168	1.2
151.14804	1.6
155.10637	20.6
159.91933	1.1
165.16313	2.3
175.14764	7.0
193.15855	26.7
193.17625	1.4
211.16907	87.3
212.17316	1.6
222.63115	1.0
222.95583	1.1
233.28696	1.0
308.73618	0.9
372.73575	1.0
373.22250	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	373.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01849	1.6
55.05500	5.2
56.70315	0.9
57.03425	1.9
59.04975	1.7
61.02910	2.7
67.05488	7.9
69.03417	10.9
69.07055	2.7
71.04973	3.4
71.05572	1.9
79.05476	3.5
81.03394	3.7
81.07044	8.9
83.04967	3.5
83.08596	3.2
85.02415	1.6
85.02893	20.6
85.06525	3.8
87.04471	1.4
87.71726	1.3
90.27003	1.0
91.03935	2.1
91.05490	2.4
93.07023	17.6
95.04960	12.9
95.08591	22.1
97.02863	6.9
97.06524	1.1
97.10178	1.1
99.04440	10.0
99.08077	100.0
100.08389	1.8
101.05986	1.8
105.06988	2.9
107.08580	13.4
109.02873	2.8
109.06481	2.9
109.10138	23.4
111.08071	1.9
113.05997	1.7
113.09607	2.1
119.08577	7.2
121.10120	4.6
123.08059	1.8
123.11707	6.1
125.09607	4.1
127.03905	5.2
133.10141	5.5
135.11667	21.2
137.09589	11.1
139.11154	1.3
145.04926	5.0
147.11578	1.1
151.11168	1.2
151.14804	1.6
155.10637	20.6
159.91933	1.1
165.16313	2.3
175.14764	7.0
193.15855	26.7
193.17625	1.4
211.16907	87.3
212.17316	1.6
222.63115	1.0
222.95583	1.1
233.28696	1.0
308.73618	0.9
372.73575	1.0
373.22250	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	373.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01854	2.0
57.03433	1.4
60.42694	0.7
63.52672	0.6
65.03930	0.8
67.05476	0.7
69.03417	2.4
70.06576	1.0
70.19454	3.4
73.02892	1.2
78.04700	1.0
79.05490	5.0
81.03400	5.8
81.04519	6.8
83.04956	0.7
85.02887	5.3
87.74691	0.6
90.33986	0.7
91.05368	3.2
95.04939	2.6
97.02878	2.7
98.97585	1.3
99.04430	0.7
103.05458	14.0
105.07028	6.0
106.04213	1.0
107.04939	87.9
107.08583	0.9
108.05255	0.9
108.08097	1.7
109.02837	1.2
109.03961	1.1
115.05437	4.4
117.06977	1.6
120.05733	5.1
123.04422	4.1
123.05200	0.6
124.05198	1.5
124.07525	0.7
127.03988	1.5
127.05009	4.2
129.04671	0.7
131.04909	7.0
133.06456	2.1
134.66248	0.6
135.08034	31.8
136.07487	0.7
136.08415	1.1
137.05946	1.5
139.03906	0.8
145.07552	3.3
147.04375	2.3
152.04683	0.7
152.07077	1.4
154.06218	2.1
161.05893	1.6
163.07518	100.0
164.07854	2.9
167.07014	53.4
168.07390	1.7
173.03011	0.6
177.05470	1.3
180.07791	1.4
181.08548	1.2
188.06671	0.7
193.08548	1.7
195.10139	64.9
196.10458	1.8
211.11140	0.8
212.09137	1.5
213.11099	1.9
221.04991	1.2
229.03145	0.7
232.08591	0.8
253.08302	3.7
271.09286	1.2
291.12122	1.1
351.11130	0.7
362.09595	0.8
373.07278	0.9
373.15854	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	373.2213
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03922	0.9
55.05505	3.6
57.03427	1.4
57.07071	0.9
61.02893	1.4
67.05494	4.7
69.03403	4.1
69.07037	3.1
70.78050	2.3
71.04980	1.5
74.68156	0.6
77.76538	0.6
79.05482	2.4
81.03413	1.4
81.07054	6.5
83.04958	2.6
83.08585	3.0
84.78459	0.7
85.02888	10.4
85.06487	1.6
91.03916	0.9
91.05449	2.6
93.07032	4.4
95.04957	1.1
95.08582	13.7
97.02880	2.5
97.06488	2.6
99.04469	0.7
99.08083	1.3
105.03349	1.2
105.06996	3.6
107.08566	6.2
109.02834	1.0
109.06499	3.0
109.10132	19.6
111.08063	9.1
119.08547	12.2
121.10125	6.9
123.04443	0.8
123.08035	9.5
123.11678	4.3
125.09610	1.7
127.03881	2.6
127.11151	0.7
133.10110	12.5
135.10680	0.9
135.11664	13.8
137.09587	26.2
137.13245	2.5
138.10382	1.7
139.11101	0.9
145.04915	2.3
147.11690	1.6
149.13220	5.0
151.11148	1.6
151.14778	3.1
162.73711	0.6
165.12808	3.2
165.16338	1.3
173.70168	0.7
174.41464	0.8
175.14795	22.7
193.15837	19.9
195.85515	0.6
200.20129	0.7
211.16890	100.0
212.17311	3.4
267.08530	1.6
334.28970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2216
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
53.03937	2.5
55.01856	2.5
55.05500	6.8
57.02238	0.8
57.03424	1.9
57.07067	2.2
59.04983	1.7
61.02920	1.9
64.13417	0.8
65.03925	0.7
66.63351	0.8
67.05492	12.2
69.03420	13.1
69.07062	9.7
70.93481	1.5
70.93816	1.7
71.04978	7.2
73.02908	1.3
78.49619	0.8
79.05490	8.0
81.03400	13.8
81.07043	28.4
83.04971	5.3
83.08611	5.0
85.02892	20.0
85.06528	6.4
87.04453	1.9
91.03954	1.6
91.05451	8.7
93.07027	15.5
95.04966	7.9
95.08591	21.7
97.02868	9.0
97.06503	4.6
97.10157	4.1
99.04451	7.3
99.08078	100.0
100.08439	1.5
105.03384	1.4
105.07011	14.8
105.75092	0.8
107.04298	0.9
107.04906	5.2
107.08575	15.2
109.02876	7.1
109.06516	4.3
109.09367	1.1
109.10142	24.1
111.08077	2.7
111.11773	0.8
112.33257	0.7
113.09594	1.1
117.07041	1.0
119.08548	15.3
121.02862	1.3
121.06498	2.0
121.10136	12.0
123.04408	2.6
123.08061	3.6
123.11688	11.6
125.09629	5.0
127.03881	9.7
127.07549	2.7
127.11250	1.0
129.06985	1.2
131.04878	0.9
131.08557	1.9
133.10104	8.3
135.11670	15.6
137.05943	1.9
137.09605	11.0
139.03894	3.5
139.11162	1.2
143.08559	1.2
143.10677	1.6
145.04947	4.4
145.06459	1.3
145.10094	1.3
147.11673	20.0
149.09703	1.8
149.13226	2.5
151.03897	1.1
151.11188	3.0
151.14799	1.4
153.05476	1.1
153.12727	2.4
155.10629	14.8
159.11682	1.1
163.07498	1.0
165.12732	14.7
167.07013	7.6
171.13809	1.3
175.07599	1.0
175.11211	0.9
175.14821	10.8
177.05504	1.5
183.13802	3.2
191.07008	1.2
193.12224	2.3
193.15855	27.5
194.16170	0.9
203.06979	1.2
205.08604	1.4
211.16902	48.5
212.07080	1.2
212.17232	1.5
219.62541	0.9
225.08838	0.9
229.14342	6.2
253.09085	0.8
267.11108	0.9
273.22000	1.0
283.10007	0.9
295.10013	1.0
296.90549	0.8
300.09860	1.4
301.21777	1.2
309.11270	1.1
313.11533	1.9
313.37109	0.9
319.22668	1.4
327.12097	0.9
337.23724	1.4
354.31326	0.9
355.11823	1.6
355.17728	2.0
373.13022	7.6
373.21924	4.2
373.26877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01861	1.3
57.03451	1.3
60.94908	0.5
61.02902	0.7
65.03917	0.7
69.03417	1.5
69.83912	3.2
73.02904	1.4
78.04678	1.4
79.05479	6.2
81.03403	5.2
85.02898	4.5
91.05421	2.5
91.05814	2.2
93.05448	1.0
95.04418	0.5
95.04936	2.8
97.02876	1.9
98.20781	0.7
98.45625	0.6
99.04463	0.6
103.05457	13.3
105.07018	6.7
107.04943	95.1
107.08588	1.2
108.05277	2.0
109.02890	1.1
109.06496	0.9
111.04460	0.6
115.05434	5.1
117.03358	0.9
117.07004	3.1
119.04951	0.8
120.05746	4.5
121.02879	0.9
121.06487	1.0
123.04417	4.0
124.05233	1.5
125.02453	0.6
127.03894	1.5
131.04932	5.8
133.06487	2.7
135.08038	33.2
136.08401	0.7
137.05963	5.5
139.03896	0.8
145.02806	2.0
145.04956	1.3
145.06523	0.5
145.07599	2.8
147.04372	1.4
149.05867	0.7
151.03831	0.8
152.04646	1.3
154.06189	1.8
161.05939	1.2
163.07524	100.0
164.07878	2.2
167.07021	54.1
168.07318	1.3
177.05441	5.4
180.07791	2.0
181.08559	2.2
193.08598	1.7
195.06548	3.3
195.10147	67.7
196.10490	1.6
213.11284	1.5
223.09654	0.7
223.46066	0.7
287.00552	0.7
291.12329	1.3
355.14703	1.0
357.06598	1.0
373.03708	0.6
373.14804	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47824	0.5
53.03934	1.3
53.63933	0.4
55.01859	1.3
55.05511	0.6
57.03423	2.4
59.04983	0.9
61.02916	3.0
62.06076	0.7
68.04994	0.5
69.03418	8.2
69.07053	0.6
70.06581	1.4
71.04980	1.7
71.62521	0.5
72.04512	0.8
72.08152	0.4
72.93785	0.4
73.02910	1.6
73.04736	0.7
74.06092	0.5
79.05485	1.1
79.11925	0.4
81.03409	3.5
81.04549	1.1
83.01318	0.6
83.04971	0.6
84.08138	0.5
85.02893	19.1
86.03200	0.4
86.09682	0.5
87.04450	2.2
87.15444	0.4
91.03931	1.9
91.05378	0.6
91.05772	3.8
93.07033	0.6
95.04940	0.7
97.02873	9.5
98.97584	0.6
99.04447	1.9
101.05991	0.5
103.05433	2.7
105.07015	3.8
107.04940	4.0
109.02855	2.4
109.06492	0.7
111.04456	0.7
113.03474	0.4
115.03959	0.7
117.03433	0.4
117.05736	0.6
117.07000	1.8
118.06545	2.0
119.07288	2.8
120.08085	3.6
121.02856	1.3
121.06484	0.6
123.04403	0.6
123.05542	0.5
123.08095	0.5
127.03905	4.8
127.04867	0.7
129.05457	1.1
129.06970	3.2
131.04912	1.5
131.07298	0.7
133.02870	0.5
133.05081	0.4
133.06375	0.5
134.06015	0.7
135.04341	0.5
135.08017	1.6
136.06183	0.7
143.03371	0.4
144.08025	0.5
145.04930	3.9
146.09624	5.2
147.04424	0.8
147.06555	0.5
148.07520	1.3
150.09100	1.6
152.07031	1.0
157.04932	0.6
163.03918	2.4
163.06224	0.5
163.07536	2.7
164.10689	92.5
165.05467	0.6
165.10997	2.3
167.05724	0.4
167.06990	2.0
174.09148	1.0
175.06010	1.0
177.05472	0.6
178.05901	0.5
180.06349	1.1
192.10130	4.1
193.04935	0.8
195.06572	0.5
195.10139	1.9
210.11215	100.0
211.06084	0.6
211.11577	2.4
234.11238	0.5
252.09538	0.6
257.08850	0.5
268.97717	0.9
286.00977	1.0
289.06424	0.4
336.14264	1.0
354.15347	0.8
356.06671	1.8
357.06705	0.4
372.12299	5.5
372.16415	14.2
373.07065	1.5
373.15723	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31930	2.6
52.77016	2.1
53.03934	6.3
53.81357	2.6
55.05494	18.7
57.07051	7.4
67.05491	22.7
69.07047	15.0
71.04972	3.5
74.09711	3.1
75.09191	2.3
79.05484	27.4
81.07037	56.8
82.34441	2.2
83.04957	4.2
83.08601	7.4
87.04463	3.2
91.05454	35.3
93.06454	4.3
93.07027	60.7
93.85886	2.6
95.04955	7.0
95.08589	47.0
97.06508	6.6
97.10168	5.8
98.20715	6.2
99.08051	2.9
101.06010	8.0
105.07014	88.2
107.08570	50.5
109.06510	5.7
109.10139	35.7
111.08046	3.7
111.11691	3.4
115.05495	2.6
117.06979	11.9
119.08557	49.4
121.06487	3.7
121.10128	49.5
123.08066	2.9
123.11687	21.4
128.06186	3.9
129.05473	3.8
129.06960	5.1
130.07750	3.4
131.08539	37.8
133.10106	100.0
135.08040	3.2
135.11668	30.9
137.09590	3.1
137.13194	5.9
141.06975	2.8
142.07774	8.3
143.08546	22.3
143.09569	3.5
144.09285	2.6
145.10107	43.8
145.55934	2.9
147.06502	3.8
147.08022	4.2
147.11653	77.7
149.09601	7.5
149.13226	27.1
151.11110	2.6
155.08556	10.1
156.09305	4.2
157.10114	23.1
158.10880	2.9
159.11682	40.6
161.09615	2.9
161.13219	48.4
163.11145	5.8
163.14850	12.5
169.10083	9.9
171.11659	26.4
172.12405	2.7
173.13219	19.1
175.11104	3.9
175.14799	10.7
177.16354	5.5
179.10587	3.0
183.11656	10.8
185.13249	24.1
187.14845	11.8
189.12700	4.7
189.16423	2.8
191.10634	7.6
191.14281	4.1
195.11722	3.1
197.13261	10.5
199.14833	12.8
201.09169	2.7
201.12669	3.1
201.16382	7.3
203.10634	4.9
203.14432	4.2
205.12184	7.7
207.13913	4.6
209.11679	10.4
209.13435	3.3
209.15154	2.6
211.14754	6.0
213.16302	5.0
215.10544	4.0
217.12170	6.5
223.14787	3.6
225.16350	4.7
229.12230	5.1
231.13766	13.8
243.13739	5.9
245.15364	4.9
249.14851	4.8
251.18066	5.2
253.19450	7.8
255.20955	2.5
265.19464	3.4
269.15244	4.0
277.43637	2.9
279.21085	4.9
307.24161	21.2
309.25552	12.2
325.25150	10.9
335.23575	7.1
353.24695	59.6
353.28925	3.6
354.25061	3.5
371.25711	99.9
372.26282	5.6
372.31421	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	371.2575
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
53.03937	3.1
55.01870	1.6
55.05505	23.7
57.03444	1.8
57.07070	3.4
58.60957	1.7
59.04994	2.2
61.51426	1.7
67.05495	40.3
67.25316	1.6
69.03407	5.1
69.07057	17.7
69.31888	11.2
69.32310	7.2
69.39657	1.5
71.04982	4.2
71.08597	2.5
79.05479	25.6
81.03410	10.2
81.07043	49.4
83.04967	5.2
83.08609	10.4
85.02911	6.1
85.06538	2.4
91.05436	21.8
93.07032	46.4
94.07356	1.6
95.04955	8.7
95.08591	51.6
97.02856	2.4
97.06522	6.4
97.10195	9.1
98.20705	3.4
99.04433	3.4
99.08021	1.8
101.06010	5.1
102.12597	1.7
105.03410	3.0
105.07013	61.3
107.07861	2.5
107.08582	48.6
108.52873	2.0
109.06506	5.8
109.10136	40.3
111.04443	4.2
111.08094	3.9
113.09598	1.6
115.05380	2.0
117.07005	11.8
119.08558	45.0
121.02744	1.6
121.06543	3.5
121.10116	46.4
122.51005	1.5
122.56777	1.9
123.04440	2.7
123.08053	3.5
123.11694	17.6
125.09611	8.7
127.03893	1.9
127.07575	2.1
128.06187	3.6
129.05455	5.2
129.06987	6.9
130.07790	2.7
131.08546	26.9
133.10110	30.5
135.08067	5.6
135.11681	24.7
137.09607	4.4
137.13213	4.0
139.07532	2.1
139.11188	1.9
141.06995	2.8
142.07776	5.7
143.08545	23.9
144.09291	3.5
145.10106	39.4
147.06525	5.5
147.08075	2.7
147.11662	41.8
149.05930	1.9
149.09610	4.6
149.13234	23.5
151.07555	4.7
152.77451	2.1
155.08508	13.0
156.09351	4.5
157.08798	2.4
157.10115	29.9
159.08090	3.8
159.11659	42.2
161.09621	3.6
161.13216	23.7
162.14630	1.7
163.07541	2.1
163.11206	6.0
163.14825	17.7
165.09094	4.7
165.12813	3.1
167.07135	2.5
169.10066	13.8
171.11653	18.5
173.09627	5.4
173.11771	7.0
173.13290	14.8
175.11194	5.8
175.14818	15.7
177.09077	3.0
177.12634	3.4
177.16446	5.1
181.10155	5.6
181.12250	2.2
182.10851	2.3
183.11693	10.4
184.12538	1.9
184.97272	2.1
185.13242	22.2
187.11142	5.9
187.14787	12.9
189.12761	4.2
189.16412	5.5
191.10701	8.0
191.14377	4.4
193.12273	2.1
193.28844	2.0
193.30704	1.7
195.11655	8.4
197.13176	10.6
199.11314	2.0
199.13258	2.3
199.14828	11.4
201.12744	2.0
201.16330	8.0
203.10660	4.8
203.14293	4.0
205.12241	5.4
207.11621	2.2
209.11699	5.0
209.13312	6.8
209.15198	3.6
211.14803	7.9
212.86246	1.7
213.12804	2.2
213.16396	7.2
215.10710	5.8
215.14294	3.5
215.17958	3.3
217.12279	5.4
217.15826	2.0
223.14888	5.5
225.16451	5.4
227.18001	3.4
229.12308	3.8
230.06424	2.2
231.13739	10.5
237.16409	5.0
239.17992	3.5
243.13815	4.7
245.15309	2.6
249.14740	4.0
251.17992	5.2
253.19554	6.8
257.15372	5.2
265.15683	2.3
265.19589	3.7
267.21271	2.4
269.15506	3.5
271.16934	2.2
275.16290	4.4
279.21088	6.6
283.16983	2.8
285.10410	2.1
287.16669	2.0
297.18713	2.8
301.09811	2.3
307.24103	15.3
309.25766	10.8
325.21692	3.7
325.25113	14.5
327.23117	2.5
327.26715	2.0
335.23798	6.5
347.14410	3.0
353.24673	63.7
353.28775	3.8
354.25146	2.6
371.25760	100.0
371.70782	1.9
372.26321	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39611	0.8
51.02425	0.8
53.03935	2.0
53.23454	0.7
55.01862	2.9
55.05500	2.5
57.03429	2.1
58.72671	0.9
59.04982	2.4
59.20521	0.8
65.63462	0.8
65.93398	0.8
67.05495	1.9
69.03418	5.6
69.06673	0.8
69.07051	15.5
71.04964	4.8
71.29304	0.9
71.29688	2.4
79.05481	4.2
81.03404	9.2
81.07037	5.2
83.04972	3.5
83.08588	1.0
85.02884	7.1
85.06528	1.5
91.05429	4.1
93.07026	18.5
95.04948	2.4
95.08572	6.8
95.50824	0.8
97.02860	2.8
97.06503	4.5
99.04430	2.7
101.06006	0.8
105.07001	8.0
107.04943	1.1
107.08565	19.5
109.02843	5.1
109.06474	4.4
109.10145	4.1
111.08070	2.5
115.07562	1.2
117.07059	1.3
119.07770	0.8
119.08551	4.2
121.06473	15.7
121.10114	13.3
123.04429	1.0
123.08075	3.1
127.03886	5.8
127.11156	1.6
129.06996	0.9
131.04887	3.1
131.08531	4.9
133.10104	9.2
135.08008	8.0
135.11624	4.7
137.05925	1.1
137.09583	1.3
139.07573	0.9
139.11128	1.9
145.04922	1.9
145.10112	4.7
146.10391	1.0
147.04393	1.2
147.11655	32.6
148.11922	1.2
149.09604	7.1
149.13219	7.4
151.03877	1.5
151.11115	1.9
158.10895	2.2
159.08029	1.0
161.09599	4.4
163.11172	7.3
163.14803	2.9
167.07043	3.0
167.10649	2.3
169.08575	1.2
173.13234	8.7
176.11809	0.8
181.12146	1.8
187.05965	0.8
191.10713	5.5
191.14261	100.0
192.14616	4.9
193.15953	1.1
209.11708	2.5
209.15303	43.4
210.15672	2.5
217.08569	1.0
219.08029	0.8
219.10165	0.8
227.12759	2.5
249.09096	1.4
311.12653	1.0
321.11179	1.1
339.12201	5.6
340.12790	0.9
353.15668	1.1
354.10764	0.9
371.15161	3.4
371.21057	1.1
381.21671	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91064	1.0
55.01864	2.6
55.05507	1.8
57.03435	1.7
57.17565	1.0
61.02918	2.2
67.05502	4.9
69.03412	6.2
69.07052	2.5
70.77178	2.7
71.04985	3.0
79.05478	3.7
81.03413	4.2
81.07046	3.9
83.04973	3.2
83.81707	0.9
85.02892	16.9
85.06525	2.5
87.04433	1.0
91.04008	1.1
91.05475	3.5
93.07027	8.9
95.04956	13.1
95.08593	40.8
97.02860	5.8
97.06517	11.1
98.21418	0.9
99.04444	3.6
105.07008	7.9
107.04929	1.0
107.08584	10.8
109.02881	2.9
109.06480	1.8
109.10128	6.3
111.08086	2.0
115.07545	1.5
117.06993	1.4
119.08578	4.6
120.45182	1.1
121.06519	2.5
121.10117	12.1
123.08068	3.6
123.11716	2.6
125.09609	2.6
127.03923	3.3
131.08545	6.0
133.10109	100.0
134.10457	2.8
135.08044	4.2
135.11691	2.9
137.05948	1.8
137.09654	1.1
139.11244	1.3
143.08582	1.1
145.04924	3.0
145.10123	3.1
147.04390	2.2
147.11720	4.5
149.09593	14.4
149.13263	4.0
151.03912	1.2
151.11171	11.8
153.09088	4.0
158.10918	4.2
161.05815	0.9
163.11118	1.0
163.14783	6.0
167.07037	3.6
173.13237	30.1
174.13675	1.5
191.14270	45.1
192.14587	1.6
193.08575	1.9
209.11649	1.2
209.15337	15.4
276.09241	0.9
366.36273	1.0
371.16748	50.2
372.17212	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	371.2574
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
53.03935	1.5
55.05503	10.1
57.07047	3.3
63.93242	1.1
67.05489	15.3
69.03427	1.4
69.07048	10.3
69.71320	2.0
69.71732	5.8
71.08609	2.1
79.05489	10.3
81.06576	2.1
81.07046	33.0
81.77112	1.1
83.04975	1.8
83.08596	5.7
85.02899	1.1
88.89745	1.1
91.05445	13.2
93.07033	30.8
95.04960	3.3
95.08590	33.9
97.06503	1.8
97.10163	2.7
99.07999	1.1
105.07012	45.0
107.08575	33.2
109.06490	2.9
109.10139	26.6
109.10703	0.6
111.04465	1.1
113.45853	1.1
115.05430	1.3
117.07008	7.1
119.08566	32.6
121.06487	2.1
121.10128	37.1
122.10514	1.7
123.08022	3.2
123.11688	15.6
125.05967	1.3
125.09618	1.2
128.06226	1.9
129.05479	1.5
129.06956	6.4
131.08554	22.5
133.10120	31.8
135.08018	1.5
135.11674	18.4
137.13261	5.6
141.06958	2.7
142.07787	5.4
143.08543	16.4
144.09314	1.9
145.10109	24.9
147.06505	1.4
147.08005	1.6
147.11661	43.0
149.05933	1.8
149.09596	3.9
149.13242	14.4
155.08524	13.2
156.09346	5.3
157.10112	20.7
158.10828	1.5
159.08009	1.6
159.11679	28.9
160.12199	1.3
161.09589	1.7
161.13223	26.7
163.11142	1.9
163.14792	13.2
165.12706	1.4
167.08545	2.6
169.10088	9.7
170.10843	1.8
171.11650	14.6
173.09552	1.8
173.13234	12.5
175.11154	2.9
175.14801	7.1
177.09099	2.2
177.12900	1.8
177.16367	4.1
181.10110	3.0
183.11670	9.0
184.12292	1.3
185.13245	15.1
187.11136	3.2
187.14789	11.2
189.09053	1.4
189.12766	3.1
189.16335	1.7
191.10609	3.7
191.14278	1.4
195.11690	4.3
197.13304	8.5
199.14786	8.3
201.16345	8.5
203.10663	1.6
203.14259	2.3
205.12207	5.6
207.11720	1.7
207.13599	1.7
209.11566	1.9
209.13274	3.8
211.11339	1.3
211.14865	6.1
213.12759	1.1
213.16351	4.6
215.10640	4.8
215.14206	1.7
217.12215	3.9
217.15811	1.3
219.13770	2.2
223.14912	4.0
225.16382	3.0
229.12265	5.0
231.13759	8.2
233.15240	1.3
235.13107	1.7
237.16296	3.5
239.17886	2.1
243.13716	3.1
245.15404	3.4
247.13350	1.3
249.14935	3.8
251.17926	3.9
253.19479	4.1
255.20984	1.5
257.15335	3.8
261.14722	1.9
265.19565	1.8
269.15302	1.9
275.16370	3.2
279.20963	5.3
283.17001	2.9
297.18561	3.3
307.24164	12.1
309.25998	5.6
311.20071	1.5
315.19626	1.5
325.21646	2.1
325.25082	6.6
335.23688	4.0
353.24591	41.3
354.25095	3.6
371.25745	100.0
372.26291	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03938	1.1
55.01861	1.8
55.05496	2.5
57.03415	2.2
59.04959	1.0
61.02913	4.5
61.22401	0.8
67.05505	3.6
69.03424	15.3
69.07060	3.2
69.44849	1.4
69.45245	6.3
71.04985	2.3
73.02908	0.9
78.67841	0.7
79.05482	3.3
81.03405	8.9
81.07034	4.8
83.04971	4.9
83.08614	1.2
85.02896	27.1
85.03413	1.4
85.06520	0.8
86.03254	0.9
87.04404	0.7
91.03947	1.5
91.05470	3.4
92.03503	0.8
93.07014	4.3
95.04956	18.3
95.08590	8.1
97.02875	8.3
97.06524	1.8
99.04439	6.3
99.08080	1.6
105.07023	5.8
107.04914	0.9
107.08576	8.3
109.02843	3.5
109.06496	8.1
109.10143	2.9
110.93332	0.8
111.08066	2.6
115.03915	0.7
119.08568	4.1
121.06511	2.9
121.10123	10.4
123.08040	4.7
123.11687	3.3
125.09618	5.9
127.03902	6.7
129.06973	0.9
131.04840	0.7
131.08566	3.5
133.06520	1.4
133.10109	13.5
134.10492	0.8
135.08015	5.1
135.11691	1.9
137.06023	3.5
137.09558	5.5
145.04944	6.3
145.10124	3.0
147.07991	1.4
147.11702	4.3
149.05830	0.9
149.09583	10.8
149.13246	4.7
151.07303	0.7
151.11166	23.0
153.09097	8.1
156.05652	0.9
157.06404	0.8
158.10895	1.9
159.08035	1.4
161.09563	0.8
163.11118	2.5
163.14766	1.9
165.12726	24.4
167.07018	5.8
167.10669	1.5
169.08467	0.9
173.13235	9.6
175.07607	1.7
177.05447	1.1
177.09102	0.7
187.07553	2.5
189.09033	0.7
191.10628	0.9
191.14278	29.3
192.14592	2.2
193.08472	0.9
193.15842	1.5
207.13708	1.2
208.14311	1.3
209.15341	100.0
210.15701	5.2
217.08633	2.6
234.06480	0.7
239.07080	0.8
247.09598	1.0
260.08255	0.7
277.08600	0.7
278.94925	0.7
281.11719	0.9
285.07617	1.7
300.09830	1.8
309.11267	1.2
321.10992	1.1
326.11240	0.8
341.13498	1.0
353.13467	1.5
371.16028	2.2
371.20633	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	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07940	1.7
50.12941	1.9
53.03940	3.4
55.01862	2.5
55.05492	4.6
57.07052	2.1
65.03929	3.4
67.05484	6.1
69.03419	58.2
69.07053	6.7
70.06124	10.7
71.04964	7.8
79.05473	13.7
81.03400	23.9
81.07052	14.4
83.04960	11.3
83.08596	2.7
85.02899	17.8
85.06518	6.7
91.05465	56.7
92.05841	3.0
93.07030	26.6
94.07386	1.9
95.04943	5.7
95.08589	17.2
97.02870	5.8
97.06502	5.8
98.20695	1.8
99.04434	7.4
101.05988	2.0
103.05357	1.8
105.07008	29.2
106.07296	2.3
107.04929	7.7
107.08582	45.8
108.08886	2.5
109.02863	9.8
109.06496	13.2
109.10126	6.8
111.04451	1.8
111.08058	6.3
117.06953	3.7
119.08557	11.2
121.02827	2.9
121.06512	8.9
121.09309	2.3
121.10133	29.6
123.04436	2.5
123.08020	7.4
123.11701	6.1
125.09601	27.8
127.03902	10.4
130.07782	1.7
131.04950	2.5
131.08539	11.9
133.10092	15.4
135.08032	18.8
135.11659	14.1
137.05951	14.6
137.09610	4.8
137.13329	1.9
143.08533	3.5
144.05716	2.4
145.04936	3.7
145.10092	20.3
147.04414	4.4
147.11646	5.7
149.05949	2.9
149.09583	14.3
149.13210	6.4
151.03899	4.8
151.07454	2.1
153.09081	7.6
155.70879	1.8
156.05678	4.4
158.10922	3.6
159.08014	3.1
161.09561	4.5
163.07376	2.3
163.11142	29.5
163.14832	7.6
165.12779	4.7
167.03418	2.3
167.07045	12.4
173.09627	2.8
173.13220	24.8
175.07506	4.0
179.06995	1.7
179.10620	2.4
181.12161	5.7
187.07498	4.7
189.09109	2.7
191.10696	22.6
191.14270	100.0
192.14635	4.3
206.07144	2.2
207.02788	1.9
207.06433	2.3
207.10150	2.4
209.08188	1.8
209.11787	6.4
209.15324	94.0
210.15678	4.4
217.08553	13.8
219.08029	2.3
219.10124	4.4
220.38127	2.1
221.09630	2.7
227.12772	8.7
233.09619	2.3
236.11777	1.9
239.07025	3.6
241.08649	2.2
247.09648	3.5
249.09145	6.5
252.07706	4.1
261.09106	3.3
263.06857	2.3
264.07782	2.1
265.08661	5.0
266.09445	2.5
269.08029	2.4
275.72269	1.8
277.08505	4.0
278.09332	2.5
280.07343	3.6
283.05771	2.4
285.07587	6.7
287.05527	3.4
293.08118	5.7
293.11679	5.0
296.10477	2.5
300.09787	7.0
309.11118	5.0
310.11966	2.0
311.05411	4.9
311.08936	3.0
311.12534	2.3
321.11157	6.2
323.09070	5.7
329.06512	5.6
335.09073	3.6
338.11227	1.7
339.12320	20.2
341.13834	3.2
353.13354	4.5
353.15891	3.2
361.02133	2.1
371.07578	5.7
371.14810	16.3
372.15283	2.7
390.12112	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.9
55.05491	4.8
56.20720	1.8
57.03428	2.6
67.05485	7.0
69.03416	12.5
69.07048	7.5
71.04972	7.4
71.06174	3.3
71.06517	4.4
79.05476	7.4
81.03396	6.9
81.07063	10.1
83.04952	12.0
83.08605	3.4
85.02899	15.1
91.05455	5.2
93.06528	1.8
93.07016	12.0
93.64370	1.9
95.04954	56.5
95.08585	17.8
96.05263	3.4
97.02880	6.2
97.06498	6.6
99.04427	13.7
99.08060	2.9
105.07006	12.7
105.14937	2.1
107.04955	2.5
107.08568	36.5
109.02859	4.0
109.06477	8.1
109.10146	18.1
111.08054	3.6
119.08595	6.5
121.06452	5.9
121.10126	29.1
123.08012	4.4
123.11711	3.4
125.09614	9.4
127.03883	3.3
131.08511	5.5
133.10109	16.5
135.08029	13.0
135.11682	5.3
137.09576	8.1
139.11165	5.1
145.04980	5.0
145.10075	7.5
147.11653	11.8
149.09619	13.1
149.13246	15.7
151.03854	2.3
151.11154	68.3
153.09085	20.3
158.10873	2.6
163.11157	6.1
163.14819	14.8
165.12744	6.1
173.13264	14.5
178.08083	2.1
191.10658	4.5
191.14285	90.7
192.14680	4.4
209.15338	100.0
210.15648	6.1
218.50870	2.5
339.05078	2.3
371.14578	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03924	3.6
55.01851	4.5
55.05502	6.3
57.03410	5.5
57.07054	1.9
61.02919	6.3
66.92421	1.3
67.05495	11.3
67.78020	1.2
68.65302	1.3
68.99750	1.2
69.03072	1.8
69.03422	28.1
69.07062	12.3
71.04988	7.5
71.08588	1.7
71.62495	2.1
73.02900	5.1
79.05124	1.2
79.05484	15.6
81.03407	21.1
81.07047	18.1
83.01328	1.5
83.04956	4.5
83.08582	4.2
85.02895	51.2
85.06516	2.8
86.03187	1.4
87.04444	3.4
91.03933	5.3
91.05435	11.8
93.07030	25.3
95.04948	15.6
95.08602	14.3
97.02882	19.2
97.06525	8.1
97.10147	2.0
98.06828	1.5
99.04453	8.3
101.05996	1.8
104.16459	1.2
105.03329	1.5
105.07021	26.1
107.04919	5.2
107.08579	36.4
108.08897	1.5
109.02869	11.5
109.06500	26.5
109.10130	9.5
111.04434	3.3
111.08057	5.1
115.05395	2.4
117.06984	3.9
119.04893	2.1
119.08559	16.7
121.02821	1.4
121.06474	9.5
121.10120	19.1
122.07266	2.8
123.04414	15.1
123.08061	13.8
123.11684	2.8
125.05968	1.7
125.09631	1.2
127.03898	19.0
128.06190	1.8
129.05499	2.1
129.07048	2.6
131.08562	16.1
133.06560	1.2
133.10117	55.3
134.10437	3.1
135.04387	2.3
135.07085	2.1
135.08032	28.5
135.11665	7.2
137.05931	3.7
137.09581	2.5
139.03851	1.9
143.08542	4.1
144.09233	1.2
145.04941	23.2
145.10098	15.8
147.04398	12.2
147.06483	3.1
147.07950	1.8
147.11658	11.5
148.04726	1.7
149.05984	1.8
149.09587	8.3
149.13188	4.0
151.03893	11.0
151.11160	2.8
153.01810	2.2
157.10094	2.4
158.10828	3.7
159.08026	3.4
159.11655	3.4
161.05971	3.0
161.09593	2.7
163.03812	4.1
163.05911	1.6
163.07486	2.2
163.11165	17.6
163.14784	2.8
164.04193	1.3
165.05432	4.8
165.09050	1.5
165.12732	30.5
166.13168	1.4
167.07033	11.4
167.10492	1.3
169.10016	1.7
171.11649	2.4
173.09601	2.8
173.13240	25.5
175.07530	2.9
175.11153	7.0
175.14784	2.1
176.11578	7.4
179.03270	1.4
179.07027	1.4
181.12190	4.1
183.11568	1.7
187.07568	1.8
191.10657	15.5
191.14281	100.0
192.14612	3.5
193.15886	6.1
199.14764	1.3
207.13689	2.1
209.11865	2.5
209.13429	2.2
209.15326	27.0
211.07631	1.8
217.08606	3.0
219.10091	9.7
220.10495	2.0
227.12733	4.7
236.08276	1.6
249.08981	1.4
264.07806	1.6
265.09375	1.4
279.10309	1.6
285.00763	1.5
285.07303	1.4
303.08701	1.4
309.17001	2.5
311.10147	2.2
321.11029	1.6
325.13843	1.3
339.12213	4.5
341.13794	1.6
353.15964	2.5
353.24411	2.2
356.17905	6.5
371.11053	3.1
371.14954	4.8
371.20615	42.7
371.25616	2.9
371.29697	2.0
372.20779	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28093	0.7
53.03928	3.6
53.86662	0.8
54.82631	0.8
55.01856	3.9
55.05497	3.7
55.05744	0.9
57.03430	6.4
58.04050	1.0
59.05022	0.8
61.02914	9.7
65.03919	1.1
67.05498	4.0
69.03419	25.2
69.07062	9.7
69.59749	0.7
69.92493	4.8
71.04996	5.0
73.02904	4.3
79.05483	7.4
81.03405	15.3
81.07040	6.5
83.04977	1.7
83.08609	2.4
85.02892	71.3
85.06520	2.9
87.04459	5.7
91.03954	5.7
91.05421	5.9
93.07025	14.1
93.77227	1.0
95.04957	17.3
95.08585	5.0
97.02267	1.5
97.02877	23.1
97.06519	3.9
98.06782	1.0
99.04438	8.1
101.02386	0.9
101.05998	2.2
102.68163	0.8
105.06999	10.9
107.04935	2.4
107.08578	21.0
109.02863	12.2
109.06488	7.7
109.10091	4.2
111.04380	1.1
111.08084	2.1
112.78938	0.9
117.06990	1.3
119.04944	1.1
119.08540	7.9
121.02859	3.4
121.06484	6.2
121.10132	11.1
122.07275	3.2
123.04401	1.7
123.08051	15.1
123.11641	1.8
125.09645	1.2
127.03889	21.7
129.05461	1.4
129.07002	1.3
130.07755	1.1
131.08525	3.3
133.06459	1.5
133.10086	6.0
135.08032	30.7
135.11661	5.9
137.05925	2.7
137.09509	1.7
139.03864	0.9
139.07509	1.0
145.04935	31.4
145.06120	1.5
145.10094	6.3
147.04391	2.5
147.11656	6.3
147.15656	0.8
148.08754	1.3
149.06000	1.3
149.09566	4.5
149.13264	1.5
151.03894	1.3
151.11224	1.1
159.08067	1.5
159.11679	1.3
161.09576	2.3
163.05989	2.2
163.11162	11.9
163.14813	1.9
165.12726	41.6
166.13135	1.5
167.06987	4.9
173.09679	0.9
173.13202	2.5
175.14833	2.3
176.11948	4.1
177.05518	1.3
177.12628	1.3
181.12195	2.2
187.07547	1.4
191.10652	8.6
191.14276	100.0
192.14632	4.6
193.15846	7.3
207.13765	2.3
209.11691	3.1
209.15353	16.5
217.08652	1.2
219.10107	1.1
227.12689	2.0
277.08600	1.1
281.11893	1.1
293.08151	1.1
295.09866	1.0
296.10522	1.1
300.09796	1.3
309.11038	0.9
309.16904	1.0
311.09930	1.2
321.11115	1.6
327.18005	1.8
339.12183	2.1
353.15601	1.2
368.81787	1.0
371.15298	3.4
371.20587	61.5
372.20969	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	371.2059
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.96678	3.3
53.03936	9.3
55.01853	5.3
55.05508	26.0
55.39753	3.5
55.85992	2.8
57.03424	17.8
57.07061	12.6
59.04978	3.2
61.02906	9.5
67.05484	14.2
69.03422	50.1
69.07052	24.3
71.01350	3.5
71.04974	11.5
71.17154	6.7
73.02917	5.5
79.05480	23.2
81.03407	24.5
81.07053	72.1
83.04966	40.7
83.08614	44.4
84.08925	3.9
85.02419	5.6
85.02898	97.4
85.06542	8.7
85.19855	3.6
87.04433	3.4
91.05465	14.2
93.07028	36.9
95.04968	33.9
95.08604	20.0
97.02878	37.4
97.06520	16.9
99.04439	28.5
103.03916	4.6
105.07000	18.6
107.08584	58.0
108.22424	3.0
109.02866	62.6
109.06509	55.3
109.10142	50.0
111.08068	24.0
115.05387	3.6
119.08570	17.8
121.06451	3.8
121.10123	52.3
123.08051	10.7
123.11695	26.5
125.09614	14.2
125.13264	8.8
127.03909	75.8
127.07521	6.0
128.97629	3.1
129.06921	4.1
131.08562	10.7
133.10104	46.5
135.08026	13.9
135.11667	19.9
137.06007	4.3
137.09564	8.2
139.03865	5.5
139.07518	4.3
139.11208	6.3
143.08546	4.8
145.04941	18.5
145.10042	6.1
146.32744	3.2
147.08025	4.9
147.11662	11.6
149.13245	53.5
151.11177	19.2
153.09129	16.1
158.10922	5.2
162.09325	2.9
163.11185	3.3
163.14810	15.2
167.14301	65.0
169.04900	6.4
169.12297	5.7
171.10164	8.1
173.13248	30.3
181.12212	7.2
187.05978	12.0
191.14284	60.6
194.02104	37.8
205.07040	32.4
209.04430	100.0
209.15343	97.1
209.17348	5.4
210.04788	4.3
217.96779	3.9
227.16333	5.8
233.15355	5.0
353.19556	11.5
371.16516	6.0
371.20572	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2057
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03926	1.4
55.05490	3.1
67.05471	2.5
69.03412	4.7
69.07047	2.5
70.06165	6.1
73.25089	1.2
79.05473	4.4
81.03396	3.2
81.07039	6.6
82.65372	1.3
83.04948	1.3
83.06615	1.1
84.98985	1.0
85.02882	2.5
85.86761	1.4
91.05453	4.2
93.07013	2.7
95.04924	1.7
96.61509	1.2
98.20837	1.6
99.04474	1.8
105.07000	4.6
107.04942	1.6
107.08585	15.9
108.08863	1.6
109.06494	4.6
109.10129	4.9
111.39514	1.2
117.07008	3.3
119.08575	3.1
121.06481	1.3
121.10122	10.0
122.07278	4.7
131.08516	2.7
133.10109	100.0
134.10460	3.9
135.08022	12.3
135.11678	1.9
137.05951	1.6
137.09593	65.6
138.09898	1.5
142.79097	1.2
145.10091	1.6
147.11617	1.7
149.13249	8.2
152.99847	1.4
163.11252	2.2
163.14804	2.9
173.13263	5.9
176.24353	1.2
191.10590	2.4
191.14275	41.0
203.52551	1.3
209.11682	1.2
209.15373	5.8
221.12276	1.4
352.05133	1.3
371.14523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74221	0.5
53.03930	1.5
55.01864	1.6
55.05497	1.9
57.03413	1.9
59.05000	0.7
61.02926	3.8
63.33383	0.5
67.05492	2.6
69.03418	13.7
69.03793	0.9
69.07039	1.6
69.56615	1.2
69.57030	3.6
71.04967	1.8
73.02894	1.7
79.05476	2.2
81.03403	7.1
81.07044	3.5
83.01299	0.6
83.04961	2.5
83.08644	0.8
85.02893	31.9
87.04475	0.9
90.41488	0.5
91.03963	1.5
91.05460	2.5
91.84983	0.5
93.07011	4.1
95.04955	3.7
95.08586	3.2
97.02891	8.9
97.06534	0.6
98.21410	1.3
99.04441	2.2
105.07012	3.3
107.04925	1.6
107.08587	6.6
109.02877	2.8
109.06515	6.9
109.10137	2.5
111.08037	0.6
119.08582	2.1
121.06480	0.8
121.10126	7.6
121.10933	1.0
122.07299	0.6
123.08083	4.1
123.10889	0.7
123.11687	3.2
127.03901	6.8
129.06987	0.8
131.05002	0.7
131.08594	1.6
133.10097	3.6
135.08047	2.1
135.11646	1.1
137.05962	4.5
137.09602	6.0
137.13217	0.8
145.04944	8.5
145.10110	0.8
147.11659	1.4
149.09599	31.4
149.13205	3.6
150.09895	0.7
151.11165	27.7
152.11394	0.7
156.05722	1.1
159.08020	1.0
163.14868	0.8
165.12735	36.2
166.13074	1.1
167.07065	2.8
170.23071	0.5
173.13248	1.7
174.06821	0.6
176.53714	0.7
181.12155	0.7
183.14655	0.6
187.07544	1.5
191.14268	12.7
193.15820	3.4
200.02130	0.7
204.52017	0.6
209.15338	100.0
210.15646	4.3
217.08630	2.5
223.07552	0.5
239.06966	0.9
247.09734	1.2
249.09132	1.6
251.06844	0.6
263.06793	0.7
277.08371	1.1
285.07486	1.2
293.11731	0.9
300.09875	2.1
301.10666	0.9
309.11124	1.0
313.10699	0.6
321.11191	1.5
326.11368	0.8
341.13754	0.9
353.13812	1.9
371.14853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.4
67.05494	2.2
69.03419	4.3
69.07054	4.1
70.95893	3.3
72.73089	1.2
79.05479	5.0
81.03427	1.8
81.07047	8.3
83.04947	1.6
85.02885	4.2
86.99802	1.2
88.74368	1.2
89.08678	1.3
91.05460	4.4
93.07031	4.1
95.08578	3.5
97.02882	1.7
105.07012	5.5
107.04922	1.8
107.08569	21.0
109.06495	6.1
109.10142	6.9
112.16690	1.1
117.07041	1.2
119.08562	3.8
121.10114	12.4
122.07232	3.0
123.08102	2.1
131.08594	1.7
133.10106	100.0
134.10457	5.1
135.08025	10.4
135.11667	2.2
137.05957	1.6
137.09586	51.1
147.11624	2.5
149.13248	10.8
151.11186	1.3
163.14816	5.3
173.13242	7.0
179.14276	1.2
191.14261	48.5
192.14569	3.0
193.15880	1.3
209.15344	13.9
217.08478	1.7
353.19489	1.8
371.14700	1.9
384.68195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03945	3.1
55.05503	13.8
57.03414	5.1
57.07058	9.6
59.05004	3.2
61.02899	5.1
65.30126	1.9
67.05494	13.5
69.03421	27.1
69.07057	17.2
71.04997	5.4
71.06366	4.4
71.06701	3.9
71.08616	2.4
73.02905	3.0
79.05466	11.4
81.03405	11.2
81.07047	37.7
83.04985	19.9
83.08619	31.9
85.02410	4.1
85.02897	53.2
85.06557	6.0
87.04472	2.6
91.03952	2.7
91.05394	11.7
93.07041	22.2
95.04964	12.3
95.08586	8.7
97.02902	16.9
97.06520	30.2
99.04456	9.2
102.63808	2.0
105.07008	16.2
107.08574	35.4
109.02869	14.5
109.06507	100.0
109.10145	52.2
111.08073	11.4
119.08559	11.8
121.02879	2.8
121.06483	2.5
121.10135	37.2
123.08071	8.1
123.11702	15.0
125.06018	2.4
125.09620	3.3
125.13287	4.2
127.03888	25.5
127.07584	3.3
128.04228	2.3
131.08539	18.9
133.09087	4.0
133.10109	75.9
134.10522	2.5
135.08038	24.5
135.11688	9.0
137.06027	2.8
137.09666	2.9
139.07547	2.3
139.11142	5.2
143.08598	3.1
145.04948	7.1
145.10129	6.6
147.11668	6.5
147.74971	2.4
149.09581	4.1
149.13252	24.3
150.05481	2.5
151.11165	9.9
153.09055	10.4
158.10931	3.6
163.03906	2.3
163.11237	2.4
163.14882	10.5
167.14281	32.4
168.26230	2.1
169.12239	3.4
171.10167	4.3
173.13237	32.8
174.13568	2.9
191.14285	96.4
192.14645	3.8
205.07094	9.9
209.04437	3.1
209.15352	52.3
209.17323	3.2
211.19388	2.1
335.18576	3.9
353.19452	4.6
355.06845	2.6
371.20505	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	371.206
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
50.01593	0.7
51.02380	1.0
53.03934	3.8
55.01862	3.7
55.05500	5.1
57.03424	5.8
57.07063	1.4
59.04985	0.8
61.02921	10.5
65.03933	0.9
67.05489	5.1
69.03418	28.8
69.06703	1.3
69.07055	11.9
70.74116	2.3
70.74703	0.7
71.04630	1.0
71.04986	8.8
71.08642	1.1
73.02907	5.7
79.05477	9.6
81.03406	21.8
81.07050	10.8
83.01289	1.0
83.04974	4.4
83.08607	2.7
85.02892	99.2
85.06528	4.4
86.03232	1.7
87.04454	5.5
91.03944	4.8
91.05431	8.0
93.07024	18.8
95.04948	13.6
95.08594	10.8
97.02876	28.2
97.03503	1.6
97.06504	7.1
97.10114	0.8
97.76275	0.7
98.03239	1.0
99.04435	8.5
99.08099	1.2
101.02373	1.2
101.06021	0.7
103.03897	0.9
103.05441	1.0
105.03390	2.1
105.07011	17.5
107.04935	2.2
107.07849	1.7
107.08577	31.1
109.02870	13.5
109.06499	9.8
109.10130	7.1
111.04436	2.4
111.08071	4.8
111.11668	0.9
113.06033	1.3
115.05438	1.0
117.07006	2.7
119.04912	1.0
119.08575	8.3
120.08914	0.8
121.02889	1.4
121.06477	9.1
121.10132	17.9
122.07256	3.2
122.10406	1.0
123.04410	2.8
123.08044	15.7
123.11712	2.6
125.05971	2.1
125.09636	0.8
127.03896	24.7
127.07599	1.3
129.05450	1.9
129.06996	1.6
131.08553	7.1
133.06485	0.9
133.10118	25.7
135.08034	28.8
135.11658	7.6
136.08421	1.0
137.05972	2.4
137.09612	2.5
139.07564	1.8
139.11151	1.1
143.08557	2.6
145.04939	28.3
145.06148	1.4
145.10097	10.5
147.04388	2.8
147.06578	1.2
147.08043	1.6
147.11661	8.7
148.08798	1.2
149.05933	1.3
149.09576	6.2
149.13245	5.0
151.03889	2.4
151.07532	1.4
151.11182	2.8
153.01819	1.5
153.09140	0.9
155.08591	1.0
157.10089	2.0
158.10907	1.8
159.08052	1.3
159.11728	1.7
161.05984	1.7
161.09619	2.0
163.03911	1.5
163.06013	2.6
163.07463	1.5
163.11142	17.2
163.14764	1.8
165.09087	0.9
165.12729	40.2
166.13094	1.8
167.07031	6.9
167.10687	1.5
171.11632	1.1
173.09581	1.0
173.13202	8.8
175.03900	1.0
175.07536	1.1
175.14807	2.6
176.11917	2.6
177.05478	1.6
177.12741	2.3
177.16454	0.8
181.12190	4.5
183.11842	0.8
187.07498	2.2
189.12781	1.0
191.06947	1.3
191.10686	11.8
191.14275	100.0
192.14622	4.9
193.15851	10.1
207.13808	3.1
209.12117	3.9
209.15329	31.5
210.15703	0.9
217.04947	0.9
217.08614	1.7
217.15643	0.8
219.10161	2.1
227.12820	3.5
233.09457	0.9
235.07463	1.0
239.06819	0.8
249.09122	1.2
277.08539	0.9
285.00851	0.9
293.08597	0.8
293.11652	1.0
296.10376	1.0
303.01300	0.8
309.10992	1.3
309.16928	1.7
317.21133	1.0
327.11823	1.1
335.14987	1.2
335.18365	4.0
339.12387	3.9
341.13898	1.5
353.15598	2.5
353.19785	2.2
353.24249	1.3
371.07465	1.6
371.11450	2.2
371.15298	4.0
371.20605	77.0
372.20853	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	371.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.6
54.27197	0.8
55.01852	1.9
55.05494	1.8
57.03413	1.3
57.07055	2.3
59.04704	0.8
59.04992	12.4
60.05311	2.7
61.02934	0.8
65.03947	1.1
67.05485	2.5
69.03422	7.3
69.07033	2.5
69.22304	0.7
69.89427	2.1
69.89834	3.9
71.04979	1.6
73.02899	0.9
78.04688	2.4
79.05046	1.3
79.05479	11.7
81.03410	10.6
81.07043	6.8
83.04959	2.0
83.08588	1.0
85.02887	8.1
85.06524	2.0
88.82060	0.7
91.05456	12.3
93.07037	12.3
95.04947	4.2
95.08580	3.7
97.02875	2.1
97.06506	2.6
99.04437	3.3
103.05417	2.0
105.03374	3.8
105.07016	16.6
106.04147	1.6
107.04944	14.3
107.08584	16.2
109.02834	4.3
109.06506	4.5
109.10127	2.5
111.08056	2.1
115.05421	3.1
115.11195	2.6
116.11533	2.4
117.06988	2.8
118.04160	1.1
118.30308	1.0
119.04910	1.4
119.08580	6.1
121.06500	4.0
121.10120	8.4
123.04408	7.5
123.08016	1.3
124.05178	3.7
125.05971	2.2
127.03905	5.0
128.06204	3.7
129.06982	7.6
131.04907	3.6
131.08562	2.7
132.05690	2.0
133.06467	6.3
133.10153	4.8
135.08051	4.5
135.11662	4.0
137.05942	2.8
139.03894	1.2
139.07516	0.8
141.06966	1.1
143.04919	1.1
144.05627	1.4
145.06474	2.1
145.10097	5.6
147.04367	2.3
147.08022	3.7
147.11714	1.9
148.32365	0.8
149.06000	1.3
149.09589	3.6
149.13219	1.2
151.03851	3.4
151.07521	1.2
152.04660	2.4
153.05449	2.8
153.09000	1.1
156.05569	1.3
157.06438	1.4
159.08032	6.5
160.05170	1.3
161.05963	11.7
161.09602	2.0
163.03850	1.1
163.07492	1.0
163.11154	12.0
165.05518	1.3
167.07021	100.0
168.07361	3.1
171.07996	2.0
172.05161	2.3
173.09584	1.3
173.13293	1.9
175.07535	19.4
176.04713	1.1
177.05440	2.2
178.07721	1.9
179.06944	1.0
179.10483	1.1
181.12227	2.9
184.05200	2.4
187.07516	24.7
189.06961	1.7
189.09061	2.5
190.07751	1.5
191.07010	7.0
191.08693	1.8
191.10597	9.9
191.14273	5.1
191.16377	2.7
192.07739	1.2
192.16742	5.5
193.10211	1.1
194.50781	0.9
195.07971	1.4
198.59512	0.8
199.07533	7.5
201.09084	1.0
202.07764	1.9
203.08487	3.0
204.09367	1.1
205.06570	1.2
205.10139	1.2
206.07236	3.5
207.08034	1.8
207.13760	1.0
209.08109	1.4
209.11694	2.8
209.15276	5.0
215.08536	1.9
217.08449	2.2
218.07246	3.8
219.08005	3.7
219.10152	3.1
220.08595	0.9
221.09644	4.3
223.07469	1.3
227.12730	2.9
231.08012	2.8
232.08701	1.2
233.09550	2.8
234.06703	3.1
235.07524	2.8
236.08173	0.9
246.06754	1.9
247.07481	2.3
249.09163	6.8
250.06274	1.1
250.10019	1.0
251.07051	2.0
260.08252	1.5
261.09134	4.1
262.06351	0.9
263.07074	1.8
264.07693	1.0
265.08545	1.5
266.09396	1.6
275.07053	1.0
277.08527	3.9
278.09262	1.5
279.06357	2.0
279.10095	1.0
281.08536	1.0
281.11676	10.4
282.12152	1.0
289.08521	4.3
290.09430	1.0
291.10092	1.5
293.08344	1.2
293.11697	3.6
294.08841	1.6
295.09546	0.9
306.08688	1.2
307.09659	1.9
309.11145	10.8
310.11707	1.8
311.09015	1.9
321.11157	7.9
322.11847	1.7
326.11407	2.4
339.12149	3.1
341.13776	15.6
353.13223	4.4
371.07410	1.1
371.14682	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	371.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	4.6
69.03404	9.0
69.31436	7.3
69.31848	19.9
73.02883	2.9
77.00887	2.8
81.03400	4.3
81.92910	2.9
85.02899	20.2
97.02888	8.9
101.00848	20.3
111.01318	2.5
119.01908	61.9
127.03890	5.3
131.01851	4.4
133.03427	5.2
137.02936	8.8
139.02406	6.5
142.03481	2.9
143.01834	13.0
144.39687	2.8
145.03482	18.6
145.04437	3.2
148.04747	3.2
157.03456	51.3
161.02888	15.6
163.03914	8.8
175.04489	31.4
181.05508	4.2
184.05759	4.3
185.02866	4.8
194.07053	5.8
205.05499	25.6
206.05577	3.5
213.04579	4.1
223.06586	100.0
224.06863	4.5
241.07645	35.7
245.08691	2.8
246.08151	3.4
258.41440	3.0
265.07648	43.3
266.07684	4.2
267.07697	3.3
276.88730	2.9
277.07736	3.2
279.05560	4.8
281.07123	23.2
293.07074	34.0
305.07104	31.2
311.08337	32.4
323.08282	19.3
327.32294	2.8
353.09238	96.3
354.09467	7.1
371.06812	40.8
371.10715	10.8
371.14441	4.3
387.13324	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	370.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.16576	0.6
55.01866	1.4
55.05501	2.0
57.03424	1.9
57.07061	15.2
58.51432	0.5
59.04988	100.0
61.02914	1.1
64.92222	0.6
67.05491	1.5
68.99796	0.8
69.03418	6.3
69.07055	1.3
69.50661	4.9
71.04977	1.3
73.02903	0.7
77.06059	0.5
79.05484	5.3
81.03403	6.5
81.07044	3.1
83.04967	1.0
85.02885	12.0
91.05457	9.3
92.05807	0.7
93.07030	5.5
95.04964	2.0
95.08603	1.8
97.02882	5.1
97.10130	0.9
99.04426	3.0
99.18594	0.5
103.05431	0.9
105.03373	0.8
105.07007	7.7
106.07333	1.2
107.04932	4.4
107.08564	8.5
109.02868	3.4
109.06494	1.4
109.10123	0.9
111.04373	0.7
115.05457	1.0
115.11183	27.8
116.06222	0.7
117.09112	1.1
119.04922	0.7
119.08528	3.6
121.06513	2.5
121.10113	4.1
123.04392	3.2
123.11690	0.7
124.05180	1.0
127.03893	4.0
128.04173	0.6
128.06226	1.4
129.06999	2.2
129.71014	0.6
131.04948	1.6
131.08519	1.0
132.05713	1.2
133.06502	2.5
133.10123	2.7
134.10448	1.3
135.08022	1.7
135.11705	1.4
137.05978	1.7
139.03865	6.4
140.04169	2.7
142.76018	0.5
145.04971	1.7
145.06415	0.6
145.10052	2.7
147.04353	1.4
147.08060	1.3
147.11656	1.0
149.05969	0.8
149.09581	1.2
151.03879	1.9
152.04628	0.8
153.01944	0.6
153.05484	0.9
156.32350	0.6
159.07996	3.4
161.05945	5.6
161.09639	1.7
162.09981	1.6
163.03931	1.9
163.11159	6.8
164.04268	1.7
167.07016	35.1
172.05165	1.3
173.09624	1.2
173.15364	5.2
175.07486	9.3
175.08759	0.7
176.04462	1.2
177.05511	1.2
178.07794	1.0
179.07021	1.1
179.08635	0.6
181.04916	0.5
181.12347	1.9
187.07518	8.9
189.05493	0.7
189.09094	1.2
190.07774	1.3
190.09410	0.8
191.07034	2.1
191.10629	7.2
191.14447	3.6
191.16377	49.5
192.16786	1.4
193.10101	0.8
199.07478	3.3
201.09206	1.2
202.07750	1.1
203.08559	1.8
205.22519	0.7
206.07233	0.7
207.06522	0.9
208.06798	1.1
209.11595	1.0
209.15388	2.0
216.11087	0.7
217.08620	0.8
218.07297	1.4
219.08080	0.9
219.10181	1.6
220.08629	0.7
220.10600	1.6
221.09573	1.3
227.12723	0.9
231.08348	0.8
233.09689	1.4
234.06773	1.6
235.07443	0.9
246.06711	0.7
247.07587	1.0
249.09140	2.5
251.07060	0.7
252.07906	0.7
261.09195	1.0
263.07199	0.8
265.08606	0.6
275.07086	0.8
277.08588	1.1
278.09436	0.9
281.11606	3.4
289.08621	1.7
291.10147	0.8
293.08267	1.0
293.11490	1.3
294.08475	0.8
296.06519	0.7
306.08856	0.6
307.09604	0.6
309.11108	4.4
310.11987	0.8
314.07513	1.0
321.11163	3.2
322.11865	0.5
323.09180	1.0
325.10962	0.6
326.11276	0.9
339.12320	2.2
341.13766	4.8
342.23001	0.6
344.28857	0.7
352.14951	0.8
353.13901	1.1
353.15994	0.8
370.13382	3.0
371.00577	0.9
371.15085	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0968
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
53.03949	0.5
55.01898	0.3
55.05502	1.9
57.03440	0.5
57.07069	1.3
58.07454	0.2
59.04986	0.3
61.02926	0.7
67.05505	1.1
69.03420	3.9
69.07060	1.7
70.06597	0.4
71.04995	0.8
71.57696	0.4
73.02909	0.4
79.05489	1.5
81.03414	1.8
81.07048	4.8
83.01313	0.3
83.04970	2.9
83.08608	2.6
85.02894	5.9
85.06538	0.6
88.15638	0.2
91.05481	0.9
93.07042	2.2
95.04939	1.4
95.08614	1.5
97.02892	2.3
97.06525	0.9
97.10165	0.3
99.04461	0.9
105.07026	1.5
107.04975	0.5
107.08588	3.4
109.02869	3.1
109.06516	4.1
109.10149	3.6
110.03671	0.7
111.04423	0.4
111.08064	1.4
115.03917	0.2
117.07002	0.3
119.04964	0.3
119.08546	1.2
120.02095	0.4
121.02874	0.5
121.06525	0.4
121.10134	3.4
123.04413	0.4
123.08043	0.8
123.11698	1.5
125.09608	0.8
125.13270	0.6
127.03914	3.7
127.07558	0.3
129.05505	0.4
131.08554	0.8
133.10115	4.1
135.04430	0.3
135.08055	1.3
135.11684	0.9
137.05949	0.6
137.09581	0.4
138.03137	0.7
139.03862	0.3
139.11198	0.4
144.01242	0.3
145.04965	0.8
145.10118	0.6
147.04420	0.3
147.08076	0.5
147.11719	0.8
149.02322	1.6
149.06007	0.3
149.09583	0.5
149.13251	3.1
151.03879	0.3
151.07489	0.3
151.11191	1.1
153.05437	0.4
153.09045	1.1
161.09644	0.3
161.13235	0.4
163.03867	0.7
163.07446	0.3
163.14825	1.1
165.05438	0.4
165.09103	0.4
166.02560	1.3
167.07045	0.6
167.14311	3.7
169.05054	0.3
169.12251	0.4
171.10110	0.5
173.13252	2.4
175.11185	0.3
177.05476	0.4
181.12273	0.3
187.05984	0.9
187.07512	0.3
189.09189	0.3
191.03284	0.3
191.14288	3.9
194.02094	47.3
195.02444	1.3
205.07082	1.5
207.06409	0.3
209.04428	100.0
209.15317	5.4
210.04724	2.3
217.08627	0.3
227.16307	0.3
233.15480	0.2
268.98059	0.2
335.18530	0.4
353.19531	0.7
355.06833	0.4
371.16455	1.7
371.20560	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2629
Annotation	Cortol
Peak:m/z	Relative Intensity
50.86620	2.5
55.01852	5.7
55.05503	26.1
57.07057	10.2
67.05493	29.1
67.46307	3.4
69.03422	7.3
69.07065	25.4
70.68138	3.2
70.68484	9.2
71.04986	4.3
71.08624	16.4
72.66480	3.0
76.14734	3.2
79.05489	22.2
81.07047	38.9
83.04976	6.8
83.08596	8.1
85.06535	4.6
85.52965	2.7
91.05459	19.5
93.07031	26.1
95.04947	11.2
95.08585	34.8
97.06508	11.5
97.10119	4.4
99.08070	18.5
105.07010	24.6
107.04913	3.8
107.08569	23.3
109.06517	27.7
109.10126	14.5
111.08095	7.1
117.07001	7.2
119.08549	22.8
121.06509	17.1
121.10136	15.9
123.08068	8.9
123.11652	6.1
125.09611	4.6
129.07014	3.7
131.08543	12.3
133.06499	4.5
133.10114	16.5
135.08028	8.3
135.11667	8.1
137.09584	4.0
139.11139	5.1
141.09100	3.1
143.08514	7.1
145.10078	16.9
147.04401	4.6
147.08032	3.6
147.11641	10.1
149.09575	5.5
149.13226	5.7
157.10103	8.0
159.11667	11.3
161.09607	4.8
161.13249	6.7
163.11110	9.3
163.14857	5.2
165.12732	49.9
171.11687	3.0
173.09584	3.3
173.11855	3.2
173.13239	8.0
175.14803	5.3
177.12691	10.8
179.14301	4.6
181.15857	8.2
183.11632	5.1
185.09612	3.0
185.13237	5.8
187.14819	7.0
189.12724	4.4
189.16360	3.2
191.14258	9.5
201.12723	4.7
209.15364	3.6
243.20992	4.3
247.17052	4.2
261.22061	23.6
271.20395	4.9
279.23157	7.7
289.21597	78.1
307.22614	24.6
333.24228	54.5
351.25369	100.0
352.25653	4.0
369.24081	37.8
369.28073	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	370.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01860	0.6
57.03409	0.5
57.07060	3.1
61.02906	1.4
67.05509	1.0
69.03413	2.6
70.06595	0.6
71.04982	33.6
71.62404	0.5
73.02917	0.8
78.56398	0.5
79.13148	0.6
81.03400	1.4
81.07053	0.7
85.02894	7.6
85.06531	7.3
91.05431	1.1
95.04962	1.6
95.08580	0.6
97.02873	2.0
99.04390	0.7
101.13734	0.4
103.07542	0.5
105.07003	0.7
107.08603	0.6
109.02876	0.7
109.10091	0.6
113.05969	4.7
116.08446	0.4
119.04889	0.5
119.08559	0.6
123.04439	0.8
123.11707	1.1
124.12054	0.8
127.03912	1.6
127.07545	12.5
131.07025	18.5
131.08545	0.8
137.05957	1.1
141.01808	0.6
141.05389	0.6
141.15924	0.5
145.04918	1.7
145.08577	100.0
146.08908	1.5
158.90076	0.5
159.10143	4.3
167.07074	0.8
173.08104	4.4
175.03772	0.7
177.05470	1.6
177.11212	3.8
178.05772	2.0
178.07173	0.4
180.08649	2.4
181.04707	0.5
190.13084	0.8
191.09113	24.3
191.14345	0.6
207.06599	0.7
207.13869	0.6
208.06805	1.2
208.09895	0.5
208.11771	2.7
208.13927	0.9
217.08598	0.9
224.67601	0.5
247.09825	0.6
297.80554	0.5
353.13852	0.7
371.16614	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2629
Annotation	Betaenone B
Peak:m/z	Relative Intensity
52.75018	2.0
53.03936	2.7
55.05499	18.6
57.03421	5.1
57.07074	5.0
67.05499	41.8
69.03444	2.6
69.07059	16.0
71.08622	36.5
71.62764	3.5
79.05484	36.5
80.30224	2.3
81.03410	6.6
81.07047	47.2
83.04986	10.3
83.08606	9.8
85.06542	4.4
88.24646	2.1
91.05474	28.2
93.07029	60.6
95.04956	10.2
95.08595	42.3
97.06509	11.4
97.10166	3.7
99.08067	24.8
105.07016	22.3
107.04929	6.3
107.08585	31.3
109.06497	7.8
109.10156	18.7
111.08054	3.4
113.09599	2.8
117.07008	5.5
119.08587	17.8
121.06464	4.2
121.10130	26.8
123.11730	2.4
129.07033	3.3
131.08540	9.1
133.10127	11.7
135.07961	2.5
135.11671	36.4
137.09598	4.7
141.09073	4.9
143.08519	4.3
145.10110	10.5
147.11681	8.7
149.13272	11.6
151.11189	14.8
157.10146	4.4
159.11678	6.8
159.97835	2.4
161.09657	3.5
161.13202	12.5
163.11214	5.6
163.14865	2.7
165.12721	15.4
167.10645	2.5
171.11717	4.4
173.13237	3.2
175.14799	3.3
177.12682	4.8
179.14301	100.0
180.14819	2.7
185.13313	4.8
189.12711	4.6
199.14862	3.5
207.13777	2.0
221.15369	3.9
222.60547	2.3
235.16890	3.8
241.19447	2.5
246.66756	2.9
259.20566	4.1
261.22192	2.5
277.19254	1.4
277.21603	64.7
289.21616	6.3
293.17371	5.8
307.22787	6.9
333.24167	5.5
351.25275	81.7
352.25525	6.0
369.23938	6.1
369.28207	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	369.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70037	2.1
53.03944	4.5
53.66025	2.1
55.01865	3.7
55.05508	22.3
57.03428	10.7
57.07061	5.3
59.04988	7.4
61.02912	5.8
67.05489	17.6
69.03419	24.7
69.06718	3.6
69.07066	50.9
70.06590	5.5
71.04984	18.1
71.61523	2.3
71.61929	3.1
73.02890	4.4
73.06545	7.2
79.05494	12.6
81.03415	12.5
81.07046	31.4
83.04987	15.3
83.08603	9.3
84.04479	3.9
84.08135	3.3
85.02899	38.0
85.06538	11.1
86.09712	2.9
87.04434	4.8
89.03898	6.0
89.06016	7.2
89.74858	2.1
91.03934	2.3
91.05457	14.5
93.07035	42.2
95.04962	8.9
95.08598	45.3
97.02908	13.0
97.06537	14.0
99.04430	8.1
99.08114	3.4
101.05999	12.5
105.05514	2.7
105.07007	6.9
107.04928	5.7
107.08587	40.7
108.08928	4.7
109.02852	7.7
109.06482	4.2
109.10139	34.7
110.07183	3.2
111.04443	7.6
111.08047	4.8
112.08408	2.7
112.09583	2.2
115.03896	4.3
115.07545	5.3
117.03362	14.0
119.04903	7.0
119.07092	3.1
119.08566	6.4
120.08091	2.7
121.02865	7.4
121.06528	4.8
123.04389	4.4
123.11675	6.6
125.09641	3.1
125.13242	3.9
127.03890	12.7
129.05435	6.6
131.04900	3.5
131.08517	4.1
132.95827	4.1
133.02844	5.6
133.06473	3.0
133.10114	4.1
133.45232	2.1
133.63959	2.2
135.08054	4.2
135.11685	63.7
136.07553	2.8
137.05980	7.9
137.09642	2.9
137.13242	3.7
139.03902	5.7
145.02832	31.6
145.04951	8.1
147.04430	14.3
148.04836	2.5
149.05965	7.5
150.96904	4.5
151.03894	5.3
153.09145	6.9
153.12733	100.0
154.09409	7.5
157.04921	2.8
159.04417	6.4
161.02382	2.7
161.06024	3.1
162.05470	6.1
162.96844	3.0
163.03796	3.9
165.05479	2.7
167.03365	10.2
167.07050	11.7
171.10168	26.5
171.13800	30.2
172.10472	28.1
175.03905	10.1
175.06021	2.7
176.98543	4.6
177.00043	20.2
177.05447	71.8
178.58058	2.5
179.03391	12.5
180.06583	5.0
182.08130	3.5
189.11205	10.3
189.12796	6.5
189.14839	40.5
190.11543	13.4
191.17395	2.4
195.01070	3.0
202.61885	2.3
205.05127	2.7
207.06227	21.1
207.13878	6.2
207.15874	5.4
208.06039	7.1
208.09566	3.3
225.00558	9.4
328.07663	2.4
351.11292	6.3
369.04611	14.6
369.11813	8.0
369.15817	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	369.1903
Annotation	Cedronolactone A
Peak:m/z	Relative Intensity
53.03925	3.3
55.01847	3.4
55.05488	4.5
55.05726	1.3
55.30116	1.0
57.03435	9.2
57.07068	1.4
59.04983	3.5
61.02900	4.0
65.03927	2.4
67.05222	1.0
67.05496	11.6
69.03072	1.9
69.03422	30.4
69.07053	4.6
69.31629	9.3
71.01323	4.0
71.04976	5.0
71.18552	0.8
73.02914	5.7
73.06526	3.1
79.05492	6.5
81.03412	13.2
81.07047	15.9
83.01303	1.0
83.04974	4.9
83.08589	1.4
85.02895	76.8
85.06510	2.6
85.83184	1.0
86.03206	1.3
86.09672	1.1
87.04469	2.4
88.19190	1.0
89.03897	1.4
91.05471	52.2
93.07034	12.3
94.04061	1.0
95.01294	2.7
95.04955	8.4
95.08593	12.0
97.02882	15.9
97.06496	3.1
99.00773	1.3
99.04454	8.1
103.03927	2.9
103.05448	1.5
105.03371	3.1
105.07018	21.5
107.04932	3.5
107.08572	15.9
109.02874	4.8
109.06500	16.0
109.10144	22.7
111.04427	4.0
111.08079	2.6
113.02383	5.1
115.05451	1.8
117.03371	3.9
117.06989	3.7
119.04953	9.9
119.08561	27.8
121.06483	4.8
121.10133	10.2
122.07263	1.1
123.04450	2.6
123.08043	8.9
123.11694	37.7
125.05965	17.0
125.09609	1.2
127.03911	10.4
128.06207	1.5
129.05455	1.2
129.06966	2.7
130.07745	1.6
131.03371	2.1
131.04909	1.3
131.08559	8.9
133.06462	6.0
133.10117	7.7
135.04431	1.8
135.08026	4.5
135.11641	3.4
137.06001	6.6
137.09599	55.3
139.03859	1.3
139.07512	4.6
141.01807	2.5
142.07751	2.0
143.08549	5.9
145.02823	12.3
145.04918	5.5
145.06448	2.8
145.10103	13.6
147.04373	7.2
147.08035	9.1
147.11682	21.1
149.05942	2.9
149.09605	14.2
151.07568	9.9
151.11143	3.0
153.12730	1.4
154.13129	1.6
156.09344	7.1
157.10126	3.5
159.02805	1.2
159.06607	1.2
159.08017	3.9
159.11650	4.6
160.08824	1.5
161.06065	1.0
161.09604	7.3
161.13249	9.4
163.03882	1.9
163.07570	1.0
163.11133	10.8
165.09055	2.2
165.12726	2.3
167.06978	1.2
167.10765	1.7
171.08008	1.6
171.11700	6.4
171.13771	2.7
172.08853	1.3
172.14101	4.6
173.09593	3.6
173.13286	2.5
174.10403	2.3
175.03906	9.5
175.07507	1.3
175.11156	3.2
177.04013	2.0
177.05453	25.1
177.12714	2.7
179.06982	1.7
179.10602	1.7
179.14304	2.6
183.10141	1.3
185.09460	1.4
185.13246	1.4
187.06038	1.6
187.07556	1.8
187.11177	2.2
189.09111	2.4
189.12723	51.4
190.13058	2.2
191.10606	2.0
191.14346	6.6
193.08611	8.9
201.12730	6.1
205.12251	1.5
207.06453	17.5
207.13779	96.2
208.05104	1.5
208.14067	3.0
213.12703	2.7
215.05475	1.2
219.08038	1.5
219.13789	2.1
225.14841	15.2
231.13736	4.4
233.06058	1.3
237.09070	1.2
247.07454	3.7
248.08424	1.3
249.09160	1.3
249.14870	4.2
273.14847	1.2
275.07114	1.5
277.08411	2.3
280.07248	1.5
290.09406	1.2
291.15656	1.6
292.07495	1.2
294.08798	1.6
300.09714	1.4
303.15784	1.3
305.08105	1.8
307.09586	3.7
315.08548	8.0
324.09735	1.1
326.11453	1.4
333.17023	7.1
337.10532	2.7
339.08420	1.3
339.12192	3.5
351.11102	4.4
351.17972	29.7
351.21799	1.2
369.13727	6.9
369.19034	100.0
370.12717	1.3
370.19397	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	369.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.3
55.05495	3.3
55.74490	1.4
57.03421	3.1
61.02896	2.9
67.05464	1.6
69.03413	21.9
69.07050	2.6
70.78388	5.0
71.04974	3.0
73.02882	1.8
79.05502	9.9
81.03406	8.5
81.07015	3.2
82.86170	1.4
83.04951	6.8
83.08593	2.1
85.02882	19.3
85.06483	1.6
91.05453	9.5
93.07038	3.0
93.59636	1.3
95.04935	4.6
95.08588	4.2
97.02889	7.0
97.13856	1.3
99.04397	4.3
103.05457	4.0
103.52419	1.5
105.03373	6.0
105.07013	16.9
106.93957	1.4
107.08585	8.8
109.02869	5.5
109.06458	2.4
117.07029	1.9
119.04907	6.5
119.08554	8.6
120.31326	1.3
121.06485	11.3
121.10108	4.5
123.08044	6.9
127.03873	6.6
131.08528	5.0
132.78395	1.5
133.06464	100.0
133.10089	9.3
134.06799	3.6
135.08006	7.5
137.09602	4.7
137.87634	1.5
139.03856	4.2
143.08519	2.7
145.04904	2.6
145.10094	3.0
147.04367	6.1
147.08025	5.7
147.11652	5.9
149.09608	4.4
149.13179	1.7
151.07486	5.0
158.10847	3.0
159.08017	3.9
159.31679	1.6
161.09561	9.2
161.13210	2.2
163.03842	4.2
163.11156	17.8
165.38516	1.7
173.13213	4.4
174.10323	3.3
175.03862	10.5
179.10643	3.5
181.98209	1.5
189.12704	47.4
191.08263	1.9
191.14282	53.3
192.14644	2.1
207.06470	19.6
207.10416	2.0
207.13756	53.0
208.05124	3.4
243.13632	2.0
245.15175	1.5
247.07510	2.6
269.07935	1.7
277.08694	1.8
285.07483	2.0
293.08090	2.2
307.09720	1.6
315.08511	7.0
323.08966	2.0
324.09692	1.9
326.24356	1.8
340.06082	1.9
351.11526	3.6
352.13858	4.7
369.13284	9.8
369.18866	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	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01862	2.0
55.05494	3.3
57.03419	4.6
59.04998	2.3
61.02922	5.9
67.05502	2.8
69.03420	24.0
69.07059	3.4
69.49488	11.4
71.04976	3.6
72.20792	1.6
73.02894	4.5
79.05482	3.5
81.03409	8.6
81.07043	6.0
83.01375	1.1
83.04973	10.4
85.02893	52.6
87.04415	1.8
91.03931	4.0
91.05464	5.3
93.07048	8.1
95.04934	6.6
95.08591	3.0
97.02883	16.0
97.06513	2.8
99.04436	6.0
105.07022	18.3
107.04926	3.8
107.08575	9.9
109.02867	7.8
109.06477	6.1
109.10129	3.9
110.07198	1.6
111.04373	1.8
117.06996	3.7
118.68530	1.2
119.04960	6.8
119.08564	17.1
121.06481	8.0
121.10117	7.2
123.04420	2.8
123.08064	4.6
123.11691	13.0
125.05994	2.0
125.09609	1.9
125.12675	1.2
127.03893	12.7
129.06943	1.5
130.07796	1.3
131.03143	1.3
131.08545	5.8
132.03241	1.2
133.06453	3.4
133.10098	11.8
135.08034	5.4
135.11726	1.6
137.09593	7.9
142.07780	1.6
143.08524	4.2
145.04942	9.3
145.06398	1.9
145.10089	10.1
147.04384	3.8
147.08023	6.8
147.11670	11.4
149.06004	2.3
149.09601	52.9
149.13220	2.1
150.09874	1.3
151.11174	29.7
156.09329	5.5
159.08034	3.4
159.11740	1.9
160.08807	1.5
161.09610	8.8
161.13281	7.8
163.07454	1.5
163.11150	25.9
165.12811	1.5
171.11630	10.8
173.13255	2.4
174.10388	7.7
175.03871	5.2
175.11176	1.6
177.05424	2.3
179.10672	8.1
179.14250	1.3
187.11142	1.3
189.12729	52.7
190.13029	2.0
191.14288	59.4
192.14603	1.5
205.06984	1.4
205.12230	3.6
207.06447	8.1
207.13779	100.0
208.14151	3.3
333.16830	2.9
351.17914	2.8
369.19055	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	369.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95988	0.5
51.02371	0.6
53.03912	2.3
55.01855	2.7
55.05502	4.3
57.01576	0.5
57.03432	3.7
57.07041	1.5
57.63271	0.5
59.04963	1.8
61.02927	3.1
62.87635	0.5
65.03914	1.2
67.05499	9.9
69.03424	21.1
69.07038	2.4
71.01326	1.0
71.04993	2.9
71.61916	0.6
71.62317	0.8
73.02911	2.9
77.03870	0.6
78.03448	1.2
79.05496	4.3
81.02969	0.7
81.03410	10.9
81.07049	4.7
83.04974	5.8
83.08598	1.1
85.02898	27.2
85.06538	4.3
86.71727	0.6
87.04404	1.5
89.03449	0.6
89.03913	5.7
91.03922	0.8
91.05466	9.1
93.07028	6.9
95.04969	4.2
95.08598	28.2
96.04465	0.6
97.02884	10.1
97.06501	1.7
99.04439	3.7
101.06012	0.6
103.03937	0.7
103.05438	0.9
105.07024	13.4
106.02915	6.3
107.04931	1.2
107.08586	10.3
109.02863	8.4
109.06521	4.1
109.10148	4.8
111.04417	1.7
113.06001	3.9
115.05427	0.7
117.03365	16.6
117.06989	1.9
119.04931	7.5
119.08571	15.5
121.02773	0.8
121.06511	2.8
121.10137	9.3
123.04455	0.6
123.08053	10.8
123.11684	3.1
124.03941	10.4
125.09622	1.0
127.03914	7.8
127.11183	1.1
128.06229	1.1
128.11491	0.9
129.06952	0.9
130.07706	1.2
131.08514	3.8
133.06522	4.3
133.10121	14.0
134.03569	1.5
135.04402	1.2
135.08049	3.7
135.11703	3.6
137.05962	1.2
137.09610	4.9
137.13196	0.8
142.07693	1.2
143.08562	3.1
145.02838	42.5
145.04939	6.4
145.06416	1.5
145.10098	6.6
146.03151	1.5
147.04391	4.0
147.08015	5.2
147.11665	7.4
149.05974	7.2
149.09607	38.0
149.13168	0.9
150.09949	0.6
151.07500	2.1
151.11171	20.6
151.14751	0.8
153.09155	0.7
153.12706	0.5
154.13005	1.2
156.09329	6.3
159.08038	6.1
159.11655	1.6
160.08794	2.3
161.05962	1.4
161.09613	4.9
161.13239	10.4
163.03889	1.4
163.11177	16.5
163.14844	0.8
164.04202	0.7
164.11461	0.8
165.09070	0.8
165.12785	3.5
167.07082	0.7
171.11661	7.3
171.13768	1.8
172.14130	2.4
173.09602	1.3
173.13260	1.9
174.10400	18.6
175.03900	6.8
175.10962	1.1
177.05455	100.0
178.05821	4.4
179.10660	1.6
179.14339	1.2
185.09666	0.8
187.11180	1.0
189.12735	94.2
190.06316	0.8
190.13075	2.8
191.14293	15.6
205.06984	0.6
205.12259	0.8
207.04532	0.9
207.06468	20.0
207.09857	1.3
207.13789	64.0
208.06723	1.0
208.14140	2.0
209.15327	0.6
225.00551	1.0
231.13678	0.7
235.50850	0.6
249.14964	0.8
250.07077	5.0
268.08096	3.3
295.05731	0.5
295.98032	0.5
333.16943	0.9
351.10657	3.7
351.18018	2.3
352.13934	2.1
369.05054	1.3
369.11591	1.8
369.15244	1.5
369.19101	11.9
370.19580	0.6
388.49548	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.0
55.01855	2.3
55.05495	1.9
57.03424	3.5
59.04975	1.5
61.02920	5.8
67.05496	2.5
69.03416	25.2
69.07046	2.2
69.87347	3.5
69.87755	1.3
71.04979	3.5
72.90544	0.7
73.02905	3.1
79.05471	4.1
81.03407	9.9
81.07045	5.4
83.04980	4.8
85.02892	35.6
87.04440	2.1
91.03942	2.0
91.05460	11.6
93.07048	4.1
95.04977	3.8
95.08591	2.7
97.02877	13.6
97.06504	1.6
99.04436	3.5
103.05446	1.1
105.07008	16.3
107.04937	1.3
107.08578	7.3
109.02855	5.7
109.06503	15.6
109.10139	2.5
111.04417	1.1
111.08075	1.4
116.06213	1.1
117.07008	1.8
119.04911	7.0
119.08567	15.8
121.06490	3.3
121.10124	5.7
123.04405	1.0
123.08057	5.3
127.03901	7.7
128.06223	1.6
129.06966	2.2
131.08545	12.7
133.06447	11.6
133.10114	7.0
135.07974	3.9
135.11705	1.5
137.02304	1.8
137.05923	2.5
137.09619	1.1
139.03889	2.0
143.08530	3.5
145.04938	6.3
145.06393	0.8
145.10103	10.4
147.04391	4.7
147.08029	12.5
147.11655	6.5
149.05914	0.9
149.09578	2.2
151.07518	51.1
151.11038	1.5
152.07866	1.4
156.09340	6.4
157.09958	0.9
159.08034	2.0
159.11702	2.4
160.08774	2.2
161.09587	8.3
161.13194	5.1
163.03825	2.1
163.11156	31.7
164.11603	1.2
165.09096	1.7
165.12735	1.8
171.11653	10.8
173.09505	0.8
173.13277	1.8
174.10358	2.5
175.03854	8.1
177.05431	1.1
179.10657	2.1
189.12715	54.2
190.12975	1.1
191.14270	41.3
203.14381	1.0
207.04587	0.9
207.06482	17.2
207.13763	100.0
208.14151	3.5
215.07085	0.9
231.13806	2.1
235.07529	0.9
247.07591	1.7
248.13551	0.9
249.08871	1.0
273.14960	1.4
276.07715	0.9
277.08493	1.5
295.09439	0.8
299.47971	0.8
305.08438	1.1
313.06979	2.0
315.08618	3.3
324.09656	1.0
333.20691	1.0
341.06522	6.3
351.10834	3.4
369.06064	10.6
369.12762	5.1
369.19043	6.3
370.06201	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1327
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
52.13372	0.5
53.03919	0.9
54.80702	0.6
55.01855	1.9
55.05489	1.1
57.03424	0.7
57.03875	0.6
60.52802	0.6
61.05112	0.6
65.03926	0.9
67.05478	1.9
68.99408	0.6
68.99776	2.4
69.03412	3.0
69.07030	1.0
71.04975	0.6
71.62504	0.6
79.05455	1.3
81.03407	2.4
81.07029	1.2
83.04951	1.6
85.02885	1.7
91.05475	4.3
93.03397	1.4
93.07018	1.4
95.04942	2.2
95.08586	0.7
97.02885	1.6
97.06510	1.1
99.04445	1.4
103.05441	2.2
105.07001	5.5
107.04916	0.9
107.08559	1.4
109.02858	0.9
109.10161	0.8
111.00799	1.2
111.04450	3.9
115.05424	1.2
117.06989	1.3
119.04929	3.9
119.08554	2.1
121.02849	0.8
123.04414	10.3
127.03876	1.3
128.06203	0.9
129.06992	2.2
131.04890	4.8
131.08505	1.6
133.06468	1.8
133.10143	3.2
137.05983	1.5
139.03880	100.0
140.04216	1.4
141.06978	0.8
143.08536	1.7
145.06444	1.8
145.10098	3.1
147.04379	4.5
147.08022	0.9
149.05949	6.8
151.03850	3.7
151.07491	0.9
153.01900	0.7
153.05452	2.5
155.08536	1.4
157.06438	1.6
159.08150	0.8
159.11711	0.8
160.05177	4.8
161.05940	9.8
161.09589	2.5
163.03880	19.4
163.05223	1.4
163.07573	1.0
163.11084	1.0
165.05421	0.8
165.07007	1.3
167.03355	0.8
167.07022	2.4
167.08495	1.1
169.06552	0.7
169.10120	1.5
171.08023	1.7
173.05937	2.3
173.09630	2.3
175.03902	7.3
175.07495	3.9
177.05460	1.3
177.09050	1.2
179.03369	13.0
179.08531	1.1
179.10652	1.4
181.05000	0.9
181.06424	0.9
182.07281	0.8
183.08058	0.9
185.05992	1.2
185.09579	0.9
186.06776	1.0
187.07524	2.3
187.11205	0.8
189.09048	10.1
189.12698	2.2
191.06990	0.9
191.10631	10.7
195.08046	1.7
197.05862	0.9
197.09616	2.5
198.06754	0.7
199.07512	1.6
200.08304	1.9
201.09067	12.6
203.10660	2.0
205.08720	1.0
207.06470	12.2
207.13731	1.3
210.06633	1.5
211.07571	1.2
213.09012	3.4
214.06296	1.3
215.07172	0.9
215.10666	9.7
219.10123	16.1
221.06067	1.1
225.09081	4.9
229.04967	1.1
229.08553	1.2
231.10098	6.0
239.10739	1.3
243.10118	6.9
257.11581	0.8
267.06430	1.0
277.08286	0.7
295.05969	5.1
305.07953	1.2
305.11411	0.9
309.07529	4.5
313.07053	8.1
313.10468	0.9
321.07584	1.5
322.08307	2.9
323.09082	1.2
325.10657	2.2
333.11380	1.2
351.12186	13.2
369.13229	11.7
369.87775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1174
Annotation	3-O-Feruloylquinic acid
Peak:m/z	Relative Intensity
53.03931	1.3
55.01853	1.2
55.05501	1.3
57.03176	0.7
57.03428	7.5
57.07044	0.6
61.02910	2.0
61.71693	0.5
65.03923	1.1
67.01824	0.4
67.05490	1.9
69.03412	5.5
69.07056	1.5
69.07413	0.4
70.06579	0.7
70.74023	1.3
71.01343	7.3
71.04970	1.4
73.02905	9.4
73.06532	1.2
75.04460	1.4
79.05480	1.9
81.03406	4.1
81.07037	2.8
83.01344	1.2
83.04961	1.9
85.02890	22.2
85.06569	0.5
87.34300	0.4
89.02362	0.6
89.03909	0.8
91.05465	100.0
92.05795	2.0
93.07005	2.8
95.01316	4.1
95.04964	1.5
95.08593	3.3
97.02876	8.1
97.06531	0.7
98.97618	0.5
99.00811	2.2
99.04439	3.3
99.08072	0.6
100.17101	0.4
101.02355	2.2
103.03909	2.9
103.05431	0.5
105.03370	1.2
105.07030	3.6
107.04917	1.1
107.08551	3.1
109.02868	1.5
109.06511	1.6
109.10137	3.6
111.04414	1.0
111.08071	1.2
113.02350	8.5
117.03352	1.6
117.05538	0.8
117.06985	0.6
117.47816	0.5
119.04915	3.3
119.08557	5.5
121.06476	1.8
121.10112	1.6
123.04425	0.9
123.08047	1.7
123.11681	1.4
125.05994	0.9
127.03912	1.9
129.05449	0.5
129.07022	1.1
131.03378	4.5
131.08568	1.5
133.06476	0.9
133.10109	1.9
135.04420	0.8
135.08054	1.1
135.11710	0.8
137.05959	6.4
137.09589	9.0
139.03886	0.5
141.01805	7.8
143.03394	0.5
143.08607	1.0
145.02840	3.9
145.04942	1.6
145.10138	1.1
147.04391	2.5
147.08038	1.5
147.11656	2.3
149.06030	0.7
149.09590	1.8
151.03975	0.5
151.07533	1.2
151.11166	0.5
153.12761	0.5
154.13045	0.6
156.09320	0.6
157.10071	0.8
159.02859	2.8
159.06534	0.9
159.08015	1.0
159.11707	1.1
161.09628	1.4
161.13184	3.2
163.03900	0.5
163.11185	2.1
165.09015	0.7
167.07033	0.7
169.04970	1.6
171.08054	0.5
171.11726	0.9
171.13768	1.1
172.14151	1.4
173.09564	0.6
173.13242	0.7
174.10394	0.5
175.03938	3.2
175.11108	0.6
177.04013	0.5
177.05431	8.5
177.12665	0.8
179.06979	0.5
179.10622	0.6
181.12343	0.5
187.06010	1.7
189.09099	0.8
189.12706	8.6
191.10727	0.6
191.14299	1.4
193.08577	23.8
194.09006	0.6
197.04459	1.0
207.06422	7.5
207.08028	0.5
207.10144	0.6
207.13789	11.4
208.06078	0.6
215.05418	3.3
231.13759	0.6
233.06412	0.7
235.09583	4.2
247.07428	0.7
249.14847	0.8
285.07593	0.5
293.08005	0.6
307.09552	0.5
315.08609	1.1
326.11395	0.6
327.26276	0.6
333.09604	1.1
337.10596	1.5
338.11465	0.6
339.12390	0.6
351.10663	2.7
351.17700	2.7
369.11423	4.1
369.18970	7.5
369.27011	2.3
370.12781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01853	1.2
55.05503	1.0
55.98285	0.3
57.03431	7.3
59.04996	0.6
61.02913	1.4
65.03937	1.2
67.01856	0.4
67.05479	1.6
69.03066	0.6
69.03417	6.0
69.07051	0.7
69.98224	2.0
70.06559	0.4
71.01348	7.3
71.04971	1.1
73.02907	9.2
73.06541	0.6
74.40861	0.3
75.04462	1.3
79.05473	1.2
81.03396	2.8
81.07052	2.1
83.01318	1.1
83.04961	1.1
83.08607	0.5
85.02894	20.8
85.06514	0.4
87.04458	0.6
91.05468	100.0
91.12238	0.4
92.05804	2.1
93.07042	1.9
94.40759	0.4
95.01318	4.0
95.04939	2.1
95.08588	1.6
97.02881	7.6
97.06520	0.4
99.00813	2.2
99.04446	2.9
101.02368	2.8
101.06006	0.4
101.63470	0.3
103.03935	3.0
105.03374	0.4
105.07019	2.4
107.04998	0.9
107.08573	1.5
109.02873	1.5
109.06507	1.8
109.10127	1.8
111.04469	0.6
111.08084	1.4
113.02358	7.8
113.05939	0.4
115.03908	0.4
117.03403	1.3
117.05508	0.8
117.06996	0.6
119.04929	3.2
119.08568	2.3
121.02824	0.3
121.06471	1.2
121.10117	1.0
123.00785	0.6
123.04413	0.8
123.08070	1.2
123.11703	0.9
124.03954	0.7
124.10205	0.4
125.05971	0.5
125.09575	0.5
127.03918	1.8
129.06985	0.8
131.03378	4.4
131.08539	1.6
133.06476	0.9
133.10107	1.7
134.42413	0.4
135.04408	0.9
135.08067	0.5
135.11612	0.5
137.05959	6.7
137.09618	1.2
139.03886	0.8
139.07510	0.4
141.01807	10.1
141.05444	0.5
143.08511	0.8
145.02829	3.2
145.04903	1.7
145.10083	0.6
147.04390	2.2
147.08032	1.1
147.11655	0.9
149.05991	0.8
149.09612	1.3
151.03876	0.5
151.07530	1.0
154.13049	0.4
155.03395	0.5
157.03990	0.5
159.02899	2.4
159.04047	0.4
159.06502	1.1
159.07928	0.8
159.11647	0.6
161.05940	0.6
161.09608	1.3
161.13219	0.7
163.03955	0.6
163.07559	0.4
163.11197	1.5
165.05536	0.4
165.09064	0.8
167.07047	2.9
169.04988	1.5
171.11713	0.8
173.09634	0.4
175.03886	3.3
177.03993	0.7
177.05423	5.3
177.09055	0.5
179.06979	0.6
179.10710	0.7
187.06041	1.3
189.09094	1.5
189.12729	3.9
191.10680	0.5
191.14287	0.6
193.08583	25.1
194.08937	0.8
197.04427	1.7
207.06404	7.2
207.10226	1.0
207.13770	4.4
208.06612	0.3
211.09543	0.5
215.05426	3.4
215.07014	0.4
221.08170	1.0
229.14313	0.8
233.06374	0.7
235.09615	5.1
277.05197	0.3
277.10861	0.6
291.08347	0.5
305.10593	0.4
307.09503	0.5
309.11258	0.3
315.08759	0.9
333.09656	1.1
337.10455	0.8
351.10596	2.5
369.11615	4.0
369.19296	1.0
392.32993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.25296	0.4
55.01844	1.2
55.05500	0.7
56.17916	0.5
56.55119	0.4
57.03420	1.4
57.38713	0.4
59.04979	1.8
61.02905	1.4
65.03947	0.5
65.47075	0.4
67.05484	1.3
69.03415	13.1
69.07040	1.1
69.75014	2.7
70.06551	0.6
71.04993	2.5
72.93759	1.4
73.02909	0.9
77.42584	0.4
79.05466	1.0
81.03409	2.3
81.07054	1.2
83.01312	0.5
83.04961	1.3
85.02892	7.6
85.06509	1.4
87.04453	3.3
89.03915	0.5
89.06019	0.5
90.94803	0.8
91.05451	2.6
91.44775	0.5
93.07027	1.6
95.04943	1.2
95.08570	0.8
97.02872	4.5
97.06492	1.0
98.20810	0.6
98.97570	0.5
99.04419	1.0
103.07529	0.5
105.05463	1.4
105.07000	2.2
107.04932	2.5
107.08582	1.9
108.95850	0.5
109.02853	2.2
109.06496	1.0
109.10116	0.7
110.07132	0.5
111.04386	0.7
111.08089	1.1
116.98608	0.4
117.07002	0.5
119.04921	1.1
119.08553	2.3
120.08050	0.4
121.02826	1.6
121.06487	0.4
121.08661	0.6
121.10115	1.0
127.03858	3.0
127.11227	0.5
130.07732	0.9
132.95790	1.5
133.06468	0.6
133.10052	1.0
135.04523	0.6
135.11668	1.5
137.05922	1.4
139.03856	0.5
141.05420	0.7
143.08511	0.9
144.95872	0.4
145.02805	0.5
145.04921	1.9
145.10118	3.4
146.97386	0.5
147.04355	0.7
147.07985	0.5
147.11630	0.4
150.96864	1.3
153.09000	0.7
153.12685	1.3
155.06950	0.5
156.09319	1.3
157.05005	0.6
158.97343	1.6
159.11673	0.9
161.13210	0.6
162.05515	0.6
162.96907	0.6
163.03922	0.7
163.11168	4.6
167.03339	5.3
167.05739	0.5
167.06975	2.4
171.10178	0.8
171.11620	0.9
171.13777	2.9
172.10446	0.8
175.03752	0.7
176.98390	1.0
177.05396	1.8
179.03410	0.9
185.04198	3.5
186.96864	0.6
189.12712	51.6
193.08617	0.5
195.06477	0.5
206.05557	3.7
207.06288	8.8
207.08287	1.2
207.13760	1.3
207.15997	0.5
212.98358	0.5
216.97949	1.3
224.98494	0.7
225.00563	1.0
231.08546	0.5
232.99127	0.7
234.98970	4.1
261.04001	0.9
266.99371	1.2
321.00443	1.4
323.01807	0.6
351.11740	0.9
351.15451	0.5
369.02802	3.2
369.11505	100.0
369.19070	5.9
370.03326	2.5
370.11752	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01860	4.9
55.05495	7.8
57.03426	9.1
57.07062	3.1
59.04980	2.6
61.02912	3.4
61.72753	1.1
62.96650	1.4
67.05499	13.8
69.03418	18.7
69.07059	11.8
69.56722	2.6
69.57131	6.4
71.04981	7.3
73.02902	3.8
79.05483	4.4
81.03407	6.9
81.07050	8.2
83.04960	7.1
83.08599	9.8
85.02890	24.1
85.03410	1.2
85.06527	13.9
87.04444	1.7
89.03896	4.5
91.03987	1.4
91.05473	11.4
93.07027	10.1
95.04956	3.9
95.08588	26.7
96.78204	1.1
97.02891	11.6
97.06522	2.9
98.21468	2.3
99.04433	3.2
99.08076	2.7
105.07022	10.9
107.08579	11.0
109.02870	7.1
109.06506	4.3
109.10144	25.4
111.08061	4.3
113.05994	2.6
116.00122	1.1
117.03365	17.1
119.04943	8.5
119.08560	12.0
121.02822	2.3
121.06461	3.2
121.10123	6.4
123.04408	1.6
123.08066	11.0
123.11708	2.5
125.09586	1.7
125.13280	1.8
127.03898	7.6
127.07552	2.3
127.11181	15.9
131.08565	2.9
133.06462	1.7
133.10095	8.8
135.04404	3.6
135.08054	3.4
135.11656	8.2
137.05940	1.8
137.09547	5.8
143.08534	3.2
145.02823	47.5
145.04802	5.8
145.06380	1.1
145.08572	2.3
145.10088	5.8
147.04384	4.7
147.08058	4.7
147.09146	2.0
147.11650	6.5
149.05960	6.2
149.09592	29.6
151.07544	1.9
151.11159	15.1
153.12715	29.0
155.07111	1.4
155.14267	3.0
156.09279	3.1
159.08026	4.9
161.09598	2.2
161.13205	9.1
163.03838	8.7
163.06053	1.2
163.07481	1.3
163.11168	13.3
164.04243	7.3
165.09105	1.4
165.12791	2.4
167.07005	1.4
170.28522	1.2
171.10162	4.9
171.11595	3.6
171.13780	49.7
172.14073	2.3
174.10406	12.2
175.03879	11.3
177.05443	100.0
179.10695	2.4
188.07153	1.1
189.12714	61.0
191.14252	11.6
192.26604	1.2
206.04405	3.4
207.06435	16.4
207.13765	45.5
217.45020	1.3
221.18837	1.2
278.19196	1.4
324.15341	1.4
351.10739	5.1
351.18109	2.9
368.18152	1.9
369.04797	2.1
369.11563	1.9
369.19080	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	368.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.4
55.05501	6.0
57.03413	2.9
57.07053	1.4
59.04966	1.3
61.02917	0.9
67.05495	7.8
69.03415	5.6
69.06710	1.1
69.07057	14.7
70.06580	1.1
71.04974	6.9
71.14627	0.8
71.62451	1.4
73.02898	0.9
73.06541	0.7
74.06043	1.0
74.09725	0.8
79.05467	3.4
81.03387	2.1
81.07043	6.9
83.04965	4.0
83.08604	2.3
85.02887	14.2
85.06534	7.0
86.03193	0.9
86.06859	1.4
87.04456	1.6
91.05451	2.5
93.07016	6.4
95.04955	5.3
95.08592	4.6
97.02883	4.4
97.06519	6.4
97.10164	0.8
99.04440	2.1
99.08041	0.7
101.02366	1.9
101.05990	2.8
103.03906	0.8
105.06998	1.4
107.04906	0.7
107.08572	15.2
108.95834	0.7
109.02846	2.5
109.06489	5.8
109.10152	6.0
110.07017	0.8
111.04424	2.3
111.08053	5.7
115.03907	12.2
115.07518	0.8
117.03352	1.4
117.06967	1.0
117.60545	0.7
119.04891	2.0
120.08116	1.4
121.02851	1.3
121.10116	1.2
123.04421	0.8
123.08050	1.4
125.09583	4.6
127.03908	3.4
127.07513	3.3
127.43477	0.7
129.05450	1.9
132.95792	0.8
133.10097	0.8
135.08041	4.8
135.11638	4.4
136.06139	1.4
137.05984	1.7
143.10649	1.2
145.02834	3.0
145.04974	2.2
145.06296	0.8
145.08549	1.4
147.04376	3.2
149.05983	1.2
153.09077	23.9
153.12704	6.9
153.73486	0.7
154.09396	0.9
157.12206	1.0
159.04469	1.0
162.05482	2.3
163.03885	2.0
167.03363	1.2
167.06984	1.9
169.12277	1.2
170.12537	1.3
171.10135	100.0
172.10472	2.2
175.03882	1.2
177.00011	3.6
177.05438	8.6
178.04898	0.7
187.13297	1.0
188.13571	2.1
189.05423	1.0
189.11191	43.6
189.14848	2.7
190.04927	1.5
190.11388	1.0
195.00963	0.8
202.77173	0.8
205.14423	0.9
207.06532	2.2
208.05963	0.8
236.11444	3.0
315.14493	0.8
368.12973	1.0
368.17368	3.3
368.20798	1.2
369.04736	1.5
369.11404	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02232	1.0
53.03912	1.3
55.01867	1.2
55.05494	3.6
57.03425	2.1
57.07051	1.2
59.04994	2.5
61.02894	1.8
67.05487	2.6
69.03412	4.1
69.07050	6.0
69.85070	1.2
70.61292	1.0
71.04977	20.4
71.17623	1.9
71.17947	1.4
73.02877	1.7
73.06529	3.9
74.10868	1.1
76.53498	1.0
79.05481	5.7
80.25370	1.0
81.07037	22.1
82.07375	3.2
83.04953	3.8
83.08595	2.2
85.02879	9.2
85.06512	4.7
85.06987	1.3
87.04447	1.9
89.03922	1.4
91.05458	4.0
93.07024	15.4
95.04963	2.6
95.08590	2.8
96.27639	1.0
97.02880	4.0
97.06499	2.6
99.04423	1.8
105.07016	2.2
107.08587	12.3
108.08969	1.7
109.02856	2.6
109.06483	2.5
109.10130	3.8
111.04405	1.8
111.08071	3.9
115.07535	3.2
117.03350	3.4
119.04901	1.7
119.08564	1.7
123.11642	2.0
124.12083	1.7
125.09605	3.5
127.03893	3.6
129.09129	3.4
133.10156	1.4
135.08006	1.6
135.11667	22.0
137.05942	2.4
143.10640	1.2
145.02823	9.8
145.04924	2.1
147.04355	3.0
147.08070	1.8
147.09134	1.8
149.05989	2.5
150.49159	1.1
151.11140	1.1
152.11458	2.1
153.09105	2.6
153.12717	100.0
154.12987	5.1
157.08607	1.2
163.03839	2.0
163.05994	1.4
164.04247	1.2
170.12520	2.3
171.10135	10.7
171.13783	2.5
175.03888	2.3
177.05437	22.4
177.06863	1.9
187.13260	4.3
188.02774	1.2
188.13562	8.2
189.11212	7.4
189.12613	1.6
192.04141	1.6
206.03864	3.2
206.15338	2.6
207.06343	7.2
235.13222	1.0
273.32117	1.1
282.15237	4.4
368.09180	5.6
368.20789	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	368.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	7.3
55.01859	4.5
55.05491	10.2
57.03415	9.7
59.04989	63.8
60.95119	2.8
61.02913	7.0
67.05487	7.5
67.17839	3.2
69.03417	38.1
69.07044	10.6
69.44083	6.9
69.44494	18.1
71.01334	2.6
71.04974	14.1
73.02879	7.3
79.05479	4.2
81.03399	22.9
81.07041	22.1
82.06565	3.1
82.07361	6.6
83.04961	16.6
83.08591	5.7
84.08090	2.9
85.02889	85.3
85.06515	10.9
87.04454	81.8
87.55257	2.6
90.87509	2.6
91.03883	3.1
91.05463	23.6
93.07023	10.7
93.87608	2.6
95.04955	5.7
95.08567	2.9
97.02271	5.3
97.02873	81.9
97.03501	4.3
97.06500	3.7
98.03198	3.6
99.04429	11.8
99.96623	3.1
105.05489	100.0
105.06993	5.4
107.08549	13.0
109.02865	23.7
109.06504	4.5
109.10148	5.8
110.07154	7.1
111.04443	2.7
111.08069	7.5
115.03896	5.3
117.03355	3.7
118.07492	2.6
123.08035	3.3
123.11676	4.8
125.09560	10.9
126.34486	4.0
127.03899	59.2
127.07468	4.9
129.09081	8.7
130.86925	2.6
135.11670	5.9
136.06174	3.1
137.05962	4.9
143.07019	5.6
143.10652	6.6
145.02892	13.7
145.03877	4.7
145.04938	68.1
147.08067	2.9
152.11476	6.4
153.09048	10.7
153.12746	22.7
157.12300	3.1
163.03862	3.5
163.05980	5.7
166.21594	3.0
169.12173	4.6
170.12563	6.2
171.10147	35.1
171.13768	2.9
175.09531	4.3
177.05446	19.5
187.13268	4.0
188.13551	11.8
189.11208	18.4
193.08585	7.0
206.15253	8.1
207.06415	6.6
213.07436	4.4
231.08560	35.6
249.09673	28.8
308.63568	3.8
345.63647	4.2
367.63324	5.2
368.13245	6.5
368.20615	30.4
373.62506	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	367.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01866	13.5
55.05502	29.1
57.03429	15.5
57.07045	3.7
63.91560	1.3
65.03941	2.8
65.20684	1.7
67.05493	61.1
67.27174	1.4
69.03407	6.6
69.07059	32.5
70.28654	3.4
71.04990	5.7
74.16824	1.5
79.05483	49.0
81.03403	5.6
81.07041	100.0
83.04968	7.5
83.08617	14.0
85.06520	4.5
90.38827	1.5
91.05468	43.2
92.05801	1.8
93.07027	49.2
94.07384	1.8
95.04951	12.1
95.08591	41.8
97.02852	1.8
97.06519	17.8
97.10158	7.0
99.08088	4.9
105.07015	56.9
106.07375	1.6
107.04960	10.2
107.08582	42.8
109.06484	13.9
109.10144	24.3
111.08055	5.9
115.05453	1.6
117.06996	12.6
119.08568	40.5
121.06484	6.4
121.10136	21.8
123.04410	1.5
123.08065	8.7
123.11668	9.0
125.09604	6.1
129.06953	4.1
131.08553	20.3
133.10109	31.4
135.08043	9.1
135.11638	11.9
137.09587	7.2
137.13197	2.0
143.08534	7.4
145.10104	22.2
147.07971	2.1
147.11655	24.1
149.09581	17.2
149.13225	8.8
151.11156	6.4
155.08566	2.5
157.10114	7.7
158.10504	1.8
159.11665	18.0
161.09544	2.0
161.13240	8.0
163.11174	9.0
163.14709	2.6
165.09196	1.9
165.12778	4.0
169.10081	4.2
171.10158	2.2
171.11687	6.4
171.17427	1.9
173.09601	2.1
173.13261	9.4
175.11172	5.1
175.14877	2.1
177.12730	6.1
181.10065	2.5
183.11661	4.5
185.13261	2.6
187.11177	2.6
187.14819	2.1
189.11163	3.8
193.12274	2.8
195.13754	2.3
197.13264	5.5
201.16460	1.8
211.14714	1.7
215.14253	2.3
219.13791	1.7
227.12685	2.0
229.19510	5.4
235.16866	2.2
239.14284	2.0
239.17989	3.9
245.13850	2.0
247.20552	6.2
257.18918	12.3
265.21594	2.2
269.17368	8.2
275.20016	72.7
276.20459	3.0
293.21030	7.7
309.20404	2.0
346.28119	1.6
349.23700	33.9
350.24188	3.4
367.24969	45.1
368.25095	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	367.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97867	1.7
51.02362	2.2
51.32617	1.5
53.03928	5.9
54.13108	1.4
55.01853	3.1
55.05504	23.1
55.05750	2.9
57.03445	3.3
57.07068	10.1
57.47702	1.3
59.04982	3.0
65.03923	4.1
67.05495	41.2
69.03425	9.2
69.06711	2.0
69.07059	25.8
70.66573	5.2
71.04985	7.9
71.08608	2.9
79.05482	34.9
81.06568	2.8
81.07045	55.9
83.04954	6.1
83.08605	8.2
85.06519	6.7
91.05469	55.9
92.06274	1.9
93.07031	83.1
95.04964	36.3
95.08595	67.3
97.06522	16.3
99.04430	1.8
99.08112	1.8
102.48068	1.5
103.05442	3.5
105.04524	1.7
105.07019	93.9
107.04922	3.1
107.08578	68.0
109.06490	15.7
109.10141	52.3
111.08024	7.5
113.14326	1.8
115.05427	5.7
116.06216	3.9
117.07015	19.7
119.08566	100.0
120.08889	3.0
121.06515	10.0
121.10123	55.1
123.08045	7.8
123.11695	16.1
123.39590	1.6
125.09612	2.5
128.06197	15.6
128.52777	1.5
129.06998	17.2
130.07782	7.4
131.08556	61.0
132.08904	2.0
133.06451	1.9
133.10110	61.2
135.08047	16.9
135.11674	26.0
137.09572	6.3
139.11166	2.2
141.06966	6.1
142.07761	18.6
143.08537	41.4
144.09323	10.8
145.06471	3.9
145.10109	70.6
146.07240	5.7
146.10533	2.0
147.08032	13.2
147.11668	24.1
149.09605	22.5
149.13226	4.9
151.11212	2.1
153.05499	1.7
153.06941	1.6
154.07715	2.8
155.08510	11.6
156.09317	13.8
157.10110	55.5
158.10820	6.9
159.08049	6.8
159.11665	44.5
160.08673	2.3
160.12383	2.0
161.09604	49.7
161.13245	10.8
163.11140	6.9
163.14799	2.1
163.69443	1.6
165.07056	3.4
167.08588	7.2
168.09308	4.4
169.10091	24.4
170.10852	6.9
171.07916	1.9
171.11671	30.7
172.08827	1.7
172.12350	4.8
173.09587	6.9
173.13237	30.1
174.13818	1.6
175.11244	7.9
175.14812	20.3
177.12674	1.8
179.08513	10.2
180.09261	2.4
181.10120	11.8
182.10854	6.0
183.11664	24.6
184.12415	4.8
185.09579	5.6
185.13214	17.3
186.13863	2.0
187.11110	5.0
187.14807	15.4
189.12724	5.0
189.16357	2.3
191.14304	4.4
193.10110	4.6
194.10875	10.1
194.14139	1.8
195.11633	13.6
196.12466	4.6
197.13240	17.5
198.13802	2.3
199.11166	4.4
199.14738	18.4
200.15277	1.5
201.12700	5.1
201.16331	10.5
203.14264	1.4
205.15771	2.5
207.11679	7.0
208.12352	2.3
209.13217	28.0
209.15102	2.8
210.13939	2.6
211.11346	1.9
211.14755	11.0
213.12727	5.4
213.16339	6.3
215.14273	4.1
217.15854	3.5
220.12471	1.8
221.13376	3.1
223.14807	8.6
224.15614	2.6
225.16315	7.0
227.14290	24.0
227.17694	2.6
229.15828	2.2
233.13222	1.5
235.14784	4.5
237.16315	5.9
239.18024	10.3
241.19510	2.7
247.14844	2.1
249.16351	3.7
250.17160	2.9
251.17976	3.7
253.19481	4.6
255.17369	6.8
257.19003	4.9
265.19464	6.8
267.17389	5.1
269.18997	3.8
271.20691	2.1
279.17459	1.9
283.20483	2.9
293.18939	5.5
349.25061	11.4
367.26270	18.7
367.30063	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
55.01867	11.5
55.05262	3.8
55.05504	52.2
56.02206	2.2
57.03419	8.0
57.07066	2.8
59.04980	3.3
65.03918	3.2
67.05495	61.0
69.03411	5.8
69.07056	17.6
71.04972	6.8
79.05482	100.0
80.05827	2.2
81.03398	3.0
81.06572	3.2
81.07044	58.4
83.04974	31.8
83.08607	18.3
85.02888	2.2
85.06531	3.8
86.37701	2.3
91.05462	42.7
93.07025	65.2
94.07355	2.4
95.04948	10.3
95.08597	27.2
97.06518	7.9
97.10159	20.7
99.04424	2.2
99.08068	3.5
103.05438	1.9
105.07016	44.5
107.04940	37.1
107.08578	78.2
108.21165	2.2
109.06481	4.8
109.10138	29.9
111.08063	5.7
115.05431	2.7
117.06999	16.2
119.08564	37.2
121.06506	5.7
121.10128	27.0
123.08088	3.5
123.11706	9.4
125.09617	27.3
129.06985	5.0
131.08543	23.1
133.10101	31.0
135.08012	11.9
135.11668	8.5
137.09572	4.7
143.08551	6.6
144.09207	1.9
145.10114	20.8
147.07967	2.1
147.11661	26.7
149.09590	71.9
149.13231	5.3
153.09047	4.5
155.08511	4.5
157.10100	6.2
159.11659	15.7
161.13214	6.6
163.11195	4.6
163.14796	6.9
169.10048	5.1
169.12224	8.4
171.10106	2.9
171.11665	6.0
173.09508	2.7
173.11694	6.6
173.13235	8.5
183.11638	3.3
184.83641	2.1
185.13190	4.0
187.11113	3.4
187.13304	2.7
187.14804	4.2
189.11168	21.8
191.14265	4.6
197.13188	3.3
209.13423	2.6
209.15303	9.6
211.14706	2.7
227.12721	8.3
229.19411	9.1
233.15213	2.5
239.17867	4.1
245.13774	4.9
247.20500	4.2
257.18979	20.4
275.20026	83.9
276.20309	3.9
323.12598	3.7
349.23669	83.9
350.23914	4.6
367.15311	4.1
367.26022	12.1
367.30005	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	367.247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01866	13.5
55.05502	29.1
57.03429	15.5
57.07045	3.7
63.91560	1.3
65.03941	2.8
65.20684	1.7
67.05493	61.1
67.27174	1.4
69.03407	6.6
69.07059	32.5
70.28654	3.4
71.04990	5.7
74.16824	1.5
79.05483	49.0
81.03403	5.6
81.07041	100.0
83.04968	7.5
83.08617	14.0
85.06520	4.5
90.38827	1.5
91.05468	43.2
92.05801	1.8
93.07027	49.2
94.07384	1.8
95.04951	12.1
95.08591	41.8
97.02852	1.8
97.06519	17.8
97.10158	7.0
99.08088	4.9
105.07015	56.9
106.07375	1.6
107.04960	10.2
107.08582	42.8
109.06484	13.9
109.10144	24.3
111.08055	5.9
115.05453	1.6
117.06996	12.6
119.08568	40.5
121.06484	6.4
121.10136	21.8
123.04410	1.5
123.08065	8.7
123.11668	9.0
125.09604	6.1
129.06953	4.1
131.08553	20.3
133.10109	31.4
135.08043	9.1
135.11638	11.9
137.09587	7.2
137.13197	2.0
143.08534	7.4
145.10104	22.2
147.07971	2.1
147.11655	24.1
149.09581	17.2
149.13225	8.8
151.11156	6.4
155.08566	2.5
157.10114	7.7
158.10504	1.8
159.11665	18.0
161.09544	2.0
161.13240	8.0
163.11174	9.0
163.14709	2.6
165.09196	1.9
165.12778	4.0
169.10081	4.2
171.10158	2.2
171.11687	6.4
171.17427	1.9
173.09601	2.1
173.13261	9.4
175.11172	5.1
175.14877	2.1
177.12730	6.1
181.10065	2.5
183.11661	4.5
185.13261	2.6
187.11177	2.6
187.14819	2.1
189.11163	3.8
193.12274	2.8
195.13754	2.3
197.13264	5.5
201.16460	1.8
211.14714	1.7
215.14253	2.3
219.13791	1.7
227.12685	2.0
229.19510	5.4
235.16866	2.2
239.14284	2.0
239.17989	3.9
245.13850	2.0
247.20552	6.2
257.18918	12.3
265.21594	2.2
269.17368	8.2
275.20016	72.7
276.20459	3.0
293.21030	7.7
309.20404	2.0
346.28119	1.6
349.23700	33.9
350.24188	3.4
367.24969	45.1
368.25095	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	367.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	12.0
55.01865	30.6
55.05506	26.1
57.03416	8.7
64.21180	2.0
67.05165	3.2
67.05498	49.2
69.03402	3.5
69.06711	3.7
69.07058	43.5
71.04978	7.3
71.62910	3.5
79.05049	4.0
79.05484	44.6
81.03403	19.3
81.07046	70.4
82.07364	3.5
83.04973	11.9
83.08605	11.6
85.02876	3.0
85.06559	3.8
90.52564	2.4
91.05467	61.1
93.07034	50.7
95.01319	9.1
95.04971	14.4
95.08598	50.0
97.06522	48.9
97.10158	4.5
99.08077	2.6
103.05441	2.5
105.07013	85.1
107.04940	22.7
107.08572	29.8
109.06490	9.2
109.10133	22.0
111.08076	5.8
117.07005	18.5
119.08565	56.0
121.06502	8.8
121.10123	19.2
123.04406	4.1
123.08009	12.4
123.11700	7.0
125.09624	4.1
129.07022	4.2
131.08539	30.8
133.10112	51.6
134.10492	2.7
135.08069	5.2
135.11647	15.2
137.09564	6.3
139.11153	2.7
141.06934	3.1
143.08521	9.0
145.06442	3.3
145.10104	26.6
147.11671	20.2
148.12045	2.5
149.09586	10.8
149.13234	9.0
151.11147	4.7
155.08530	6.4
157.10074	10.6
159.11679	22.8
161.09627	4.9
161.13211	9.5
163.11159	7.1
163.14851	4.4
169.10101	4.8
171.10229	3.4
171.11670	8.1
173.09572	3.0
173.13245	9.8
175.11160	3.5
175.14764	7.4
177.12706	8.6
177.16373	3.1
179.14252	17.1
183.11630	4.9
185.13243	4.4
187.11127	6.7
187.14854	6.5
197.13199	6.5
199.14769	3.5
201.16360	2.9
203.17938	2.9
209.15402	2.3
211.14801	3.2
213.16273	2.7
225.16469	2.3
229.19418	4.3
237.16344	3.1
239.17897	8.2
247.20506	4.4
257.18958	12.1
275.20023	100.0
276.20364	8.1
321.25510	3.2
349.23657	65.4
350.23801	3.0
367.26297	30.4
367.30023	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.05487	3.7
57.03419	1.9
57.07060	1.7
59.04972	2.4
59.13762	1.1
61.02916	2.3
67.05482	3.8
69.03423	7.6
69.07056	9.0
69.59275	1.2
70.37921	3.6
71.04977	20.7
73.02903	1.4
79.05478	7.3
81.03412	2.6
81.07041	59.1
82.07371	2.7
83.04971	7.0
85.02885	12.5
85.06524	1.9
91.05442	2.4
93.07033	7.7
94.07358	1.6
95.04960	3.1
95.08570	3.5
97.02863	3.8
97.06499	7.1
99.04434	1.2
99.08086	3.0
105.06989	2.3
107.08566	11.3
109.02861	3.1
109.06485	3.5
109.10140	15.2
111.08054	2.8
111.11733	5.5
113.05942	1.2
119.08555	1.5
121.06474	1.6
121.10072	2.7
123.11685	19.6
124.12055	1.1
125.02277	1.3
127.03878	3.7
133.10066	4.5
135.04364	3.2
135.11639	2.5
139.11162	8.0
141.12668	1.8
145.02795	2.4
145.04874	2.3
147.09172	6.7
151.11151	26.0
152.11520	2.1
153.12747	8.2
157.12207	16.5
162.04021	1.3
163.03871	23.5
169.12204	28.2
171.10091	2.1
177.12721	1.5
187.13257	100.0
188.13628	2.3
205.12184	3.5
205.14296	5.5
206.03821	1.4
245.12883	1.4
249.07443	1.2
281.14935	10.0
350.13367	1.4
367.09952	3.7
367.13770	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01854	1.0
55.05499	0.4
57.03427	2.2
59.04972	0.5
61.02916	1.1
63.02372	0.3
67.05480	0.6
67.21253	0.3
69.03069	0.4
69.03420	6.3
71.01326	1.0
71.04990	2.6
71.62682	0.5
73.02894	0.6
77.03902	0.3
79.05467	1.0
79.95504	0.3
81.03398	2.0
81.07027	0.6
85.02891	0.5
85.06530	0.4
87.04454	0.5
89.03897	2.7
91.05465	1.1
93.07019	0.5
95.04967	0.5
95.08606	0.6
97.02869	2.4
97.06537	0.3
99.04434	2.6
105.06992	1.1
107.04936	1.5
107.08559	0.6
109.02812	1.6
109.10173	0.7
110.10494	0.3
117.03363	4.7
117.05491	0.7
118.06498	1.1
119.08574	0.5
120.08038	0.4
123.04391	1.0
123.08008	0.3
124.12005	0.6
127.03878	1.2
131.08539	0.4
133.10106	1.0
134.10373	0.4
135.04396	12.0
145.02827	8.9
145.07584	6.0
145.10066	0.6
146.08305	0.4
147.09142	16.3
151.11182	0.4
152.11464	0.5
157.10045	0.4
159.07938	0.5
159.09145	6.1
159.11447	0.3
160.09953	1.0
161.09615	0.7
161.13203	0.4
163.03876	98.8
164.04192	2.7
169.12286	0.5
170.12535	0.6
173.05836	0.3
173.07181	1.0
173.10753	0.3
175.08678	0.8
184.09938	0.7
185.10678	2.8
186.11418	0.4
187.08633	0.9
187.12299	0.7
189.10204	0.9
191.08124	77.5
192.04001	0.5
192.08472	1.4
197.10712	1.0
199.08722	0.8
199.12271	1.2
201.10121	0.7
213.10123	1.6
215.11772	1.1
216.07668	6.8
225.10193	0.9
227.11784	0.4
231.11365	0.4
233.09035	0.5
233.12839	0.6
243.11388	0.4
245.12859	0.5
259.10901	0.5
263.13898	7.3
271.10791	0.9
289.06903	0.4
289.11783	3.4
307.12827	31.8
308.13162	1.0
313.21613	0.5
349.14908	0.8
350.13409	100.0
351.13852	3.1
367.11624	0.4
367.16046	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41380	1.3
53.49998	1.3
55.05499	3.6
57.03434	2.3
59.05001	4.7
61.02913	2.4
62.43169	1.2
67.05483	5.3
69.03416	5.4
69.07052	9.7
69.96450	2.7
69.96858	5.2
71.04979	25.0
79.05482	8.8
81.07047	61.5
81.29862	1.3
83.04961	6.4
83.08638	2.1
84.96058	1.4
85.02901	12.4
85.06532	2.2
88.65273	1.4
91.05440	1.9
93.07037	4.3
94.15618	1.3
95.04979	2.6
95.08604	4.0
97.02885	7.5
97.06512	6.0
97.10133	1.4
99.04442	1.8
99.08080	3.0
100.02185	1.3
102.05524	2.9
105.05495	2.4
105.07037	3.7
107.08590	14.7
109.02883	3.5
109.06509	3.2
109.10139	18.9
111.08040	2.5
111.11702	6.1
114.92365	1.4
119.03502	1.7
121.10122	2.1
123.08097	1.6
123.11708	23.0
125.09592	2.7
127.03887	3.7
133.10109	5.2
133.62367	1.3
136.06174	20.3
139.11186	9.8
145.04924	3.5
147.09172	1.6
151.11166	32.4
157.12224	19.3
162.04074	22.9
163.03810	6.2
169.12230	34.3
169.13663	2.8
170.12578	1.7
171.10190	2.5
187.13272	100.0
188.13501	1.3
205.12372	2.2
205.14330	24.3
206.06544	5.5
206.15086	1.8
244.25174	1.3
255.16681	1.3
281.14981	3.4
295.34485	1.1
308.23706	1.7
317.11197	1.4
367.09866	2.5
367.16785	5.1
368.20703	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	367.102
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
52.31934	0.2
53.03932	0.3
55.05502	0.5
57.03436	0.2
65.03934	0.2
67.01859	0.2
67.05486	0.5
69.03412	0.8
69.07053	0.4
70.08757	0.4
70.09164	0.5
71.04965	0.2
78.52910	0.2
79.05491	1.2
81.03421	0.9
81.07032	0.7
83.04941	0.3
84.08128	0.2
85.02898	1.2
85.06538	0.5
87.00803	0.2
89.03903	3.0
91.05482	0.5
93.07027	0.6
95.04949	0.7
95.08594	1.0
97.02885	1.9
97.06480	0.3
97.10191	0.3
99.04459	0.4
99.08107	0.3
105.01858	0.6
105.07014	1.5
107.04942	1.6
107.08573	0.5
109.02858	1.7
109.06522	0.3
109.10144	0.4
117.03369	5.1
118.03671	0.2
119.04881	0.2
119.08559	0.5
121.02824	0.3
121.06506	0.3
121.10123	0.3
123.04406	0.6
123.08051	0.2
123.11692	0.3
124.11985	0.2
125.09648	0.2
127.03868	1.3
128.04243	0.2
130.93185	0.2
131.08501	0.3
132.95808	0.3
133.10117	1.0
135.04404	12.5
135.08054	0.2
136.04745	0.3
137.09642	0.2
141.99982	0.2
143.08493	0.4
145.02832	9.8
145.10027	0.4
146.03139	0.5
147.04373	0.5
147.08121	0.2
151.11186	0.2
161.09622	1.4
163.03886	100.0
164.04228	3.1
169.12250	0.2
170.12592	0.4
171.08020	0.2
187.11115	0.2
187.16898	0.2
189.09074	0.5
189.11189	0.2
198.96906	0.3
205.12204	0.3
217.24026	0.2
246.98947	0.2
289.06976	0.5
295.05975	0.2
316.49249	0.2
367.11270	1.0
367.17499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01851	2.2
55.05487	2.0
56.96549	0.6
57.03426	3.2
57.07074	0.6
59.04979	1.6
61.02914	3.2
67.05483	1.4
69.03069	1.0
69.03414	12.2
69.07052	0.7
70.06572	3.2
71.04973	2.1
71.60538	0.7
71.61012	1.1
73.02895	2.3
73.06551	2.8
73.26134	0.6
79.05477	1.0
81.03394	3.8
81.07037	0.9
83.01344	0.6
83.04966	3.5
84.08121	1.3
85.02889	22.5
85.06528	0.7
86.09696	0.7
87.04446	2.9
89.06016	0.9
90.94783	1.1
91.03936	0.7
91.05455	1.3
93.07030	1.2
95.01282	0.8
95.04939	2.5
97.02866	8.7
97.06516	0.7
98.97553	1.2
99.04425	2.3
101.05998	4.1
103.03936	2.4
103.05427	1.2
105.07021	1.5
109.02866	2.7
109.06454	0.8
110.07128	0.8
111.04404	0.9
111.08069	1.0
112.07575	1.1
113.02341	0.9
115.05444	1.4
116.98563	0.7
117.05707	0.7
117.06952	1.1
118.06519	11.7
119.04965	0.6
119.07016	0.8
121.02876	1.2
123.04443	4.1
127.03893	9.8
127.08588	0.6
129.05438	1.4
129.06973	1.2
130.06505	7.0
131.04890	1.7
132.04396	2.5
132.05663	1.8
132.08058	6.2
132.95807	1.1
133.06461	1.9
135.04422	0.7
136.06126	1.2
137.09648	0.6
140.07010	1.0
142.06502	1.7
143.07253	3.3
144.08063	12.9
144.95718	0.6
145.04939	2.7
145.06520	1.2
145.07516	2.8
146.05981	51.4
146.99680	0.8
147.04356	1.1
147.06351	0.9
150.96788	0.9
155.07033	0.8
156.08046	7.0
157.06448	0.8
158.05989	1.1
158.08249	0.9
158.09618	1.1
158.97427	1.1
159.09172	3.7
160.03835	0.7
160.05165	1.3
160.07549	5.0
161.05945	1.6
162.04099	2.5
162.05501	1.5
162.96814	1.0
163.00500	2.1
163.03835	1.0
164.54974	0.6
167.07028	5.5
168.06697	0.7
168.08078	2.9
169.07497	0.9
169.12236	1.0
170.05960	5.7
171.06554	1.1
171.09097	0.9
172.07439	0.9
174.05504	1.4
174.09059	0.8
175.04291	0.6
176.98436	1.2
178.04967	32.5
181.03526	0.6
181.04959	0.9
182.06030	1.2
183.06532	4.8
183.09091	1.1
184.07532	3.4
185.05870	0.6
185.08302	0.9
186.09053	1.5
187.03864	0.7
187.08607	1.0
187.13135	0.7
188.07031	100.0
189.07390	3.1
192.07774	8.8
192.09486	0.9
192.10199	0.7
197.08206	0.7
200.04559	0.6
200.07083	1.5
201.07668	1.1
202.08649	3.0
205.01538	1.8
205.09689	56.9
206.04440	55.9
206.07761	0.8
206.08269	0.8
206.09935	1.1
210.05664	0.7
210.09047	0.9
212.06888	1.0
216.97900	0.9
217.01544	2.5
217.09637	1.0
219.06589	1.0
223.06023	4.2
224.06744	0.6
228.06680	1.3
229.09705	2.2
230.08081	32.1
231.06427	1.5
231.08519	1.1
233.08054	1.6
234.08571	0.7
234.99017	2.3
237.02686	0.9
241.01627	0.8
245.08203	1.1
247.10764	12.3
249.07523	1.8
258.11176	1.5
259.06085	0.6
260.09189	0.9
271.10516	0.8
276.12161	1.6
283.10739	1.0
289.07019	1.7
294.13361	0.8
307.04681	10.2
307.08032	1.3
314.10175	1.1
331.12888	3.2
332.07574	1.2
332.11203	5.2
349.09271	1.2
349.13986	3.2
350.08603	1.3
350.12265	15.8
351.12402	0.8
367.10245	5.9
367.14954	11.9
367.22079	1.4
368.09796	2.0
368.14502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01867	0.6
55.05494	1.5
57.03426	0.7
61.02917	0.8
64.27128	0.5
65.03929	0.7
69.03410	4.3
69.07021	0.6
71.04980	8.5
71.14603	1.4
73.02913	0.9
79.05479	10.9
81.03409	2.3
81.07043	100.0
82.07373	1.3
83.04971	7.4
83.08605	2.1
85.02888	11.7
87.04473	0.7
91.05466	2.6
93.07028	15.5
95.04966	2.3
95.08602	1.6
97.02880	2.9
97.06471	0.8
99.04457	1.3
99.08083	5.1
101.06002	0.9
102.89575	0.6
105.07027	3.2
107.08591	2.4
109.02867	1.0
109.06525	0.9
109.10149	1.1
111.08041	0.9
123.08044	1.5
123.11703	2.5
127.03910	5.5
133.10126	6.1
135.11679	0.7
145.04932	6.1
147.09230	1.0
151.11154	3.4
163.05997	1.7
169.08629	0.8
169.12251	2.0
187.09760	1.2
220.54199	0.7
233.10042	0.8
243.12271	11.7
281.14911	1.4
328.82861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.05487	4.2
57.03421	4.2
57.07063	2.4
59.69899	1.4
61.02892	1.7
65.03905	2.5
67.05494	10.3
69.03407	5.4
69.07048	6.2
71.04967	6.1
71.62801	3.3
72.08128	1.5
79.05460	5.5
80.88847	1.5
81.03399	2.7
81.07043	26.4
82.07372	1.6
83.04946	2.9
85.02887	14.4
85.06523	1.9
85.33561	1.3
86.09690	1.9
87.01133	1.4
89.03892	2.0
91.05453	2.8
93.07029	11.1
95.04937	3.4
95.08585	48.1
97.02856	7.1
97.06490	2.8
99.04443	11.9
99.08044	2.2
105.03391	1.4
105.07001	7.8
107.04937	3.2
107.08572	6.3
109.02852	2.8
109.06490	4.3
109.10131	22.8
111.08052	1.9
113.05973	7.7
117.03357	4.1
120.08089	2.7
121.06480	2.6
121.10164	3.1
123.04396	6.0
123.10810	2.9
123.11682	49.3
125.09641	1.8
127.03865	6.2
127.07505	2.6
133.10136	7.3
135.04407	9.2
137.05946	1.9
145.02829	6.4
147.04358	3.9
147.07951	1.7
151.11157	34.9
155.07031	1.9
163.03868	69.1
169.12212	100.0
173.12929	2.0
181.04874	1.6
185.09659	1.9
187.13229	11.0
190.09686	2.4
191.08159	2.2
201.12268	1.9
237.20828	1.7
249.07513	1.6
253.09969	1.6
267.08667	1.8
304.18719	10.8
322.19202	2.0
331.13809	1.9
348.21585	4.2
366.21832	3.3
367.11734	4.1
367.16122	2.0
369.05948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01867	2.3
55.05500	4.3
57.03422	2.0
59.04998	0.7
59.89369	0.6
61.02914	1.5
61.59760	0.6
62.06068	3.2
65.03943	0.6
67.05487	4.9
69.03416	4.3
69.07060	2.9
69.73427	1.1
69.73835	3.3
69.77131	0.6
70.06598	0.8
71.04983	5.2
72.08141	1.6
73.02898	0.9
79.05480	4.3
81.03390	1.7
81.07041	18.7
81.07513	1.1
83.04962	6.1
83.08601	1.6
85.02895	9.0
85.06516	1.7
86.09693	2.3
91.05463	3.9
93.07026	10.9
95.01308	4.7
95.04962	5.8
95.08578	3.5
97.02859	3.8
97.06498	1.8
98.21443	1.2
99.04423	1.4
99.08063	1.5
99.17100	0.7
101.06004	1.2
103.03912	1.0
103.05450	0.8
105.07005	5.7
107.04939	0.9
107.08575	8.8
109.02857	1.6
109.06502	2.5
109.10139	3.8
110.06013	2.3
111.08064	1.6
112.54169	0.7
113.02332	2.7
113.05991	1.2
115.05447	0.7
116.80104	0.6
117.06971	1.4
120.08096	1.5
121.10133	2.4
123.04352	0.8
123.08030	2.8
123.11695	6.4
125.05971	1.0
125.09573	1.3
127.03898	2.5
127.07477	0.6
131.04897	1.3
131.08502	0.7
133.06471	1.3
133.10088	8.3
136.06189	0.7
139.11134	1.5
141.09044	1.0
143.08504	1.1
144.06624	0.7
145.04951	1.9
145.06468	1.6
147.04410	0.7
147.08095	0.6
147.09145	2.6
148.05135	0.8
149.05888	0.6
151.07510	1.6
151.11137	8.5
153.06897	0.7
157.12260	1.5
160.11172	0.8
161.05960	1.8
162.05472	79.4
163.03902	1.4
163.05890	3.2
167.07043	2.9
169.06377	0.9
169.08614	3.8
169.12234	9.2
171.07967	1.0
173.05806	0.8
176.04768	0.9
181.06396	1.1
181.08578	0.8
186.09038	0.9
187.09694	3.9
187.13307	5.4
190.04948	15.6
191.05354	0.6
191.07004	1.5
193.08617	3.5
194.05614	0.8
198.06821	0.7
199.07436	1.4
204.06517	100.0
204.15875	5.0
205.06837	4.8
205.08511	0.9
205.14299	1.0
209.08026	1.8
223.06108	0.8
223.09663	0.7
227.06950	2.3
233.08081	1.6
245.04239	0.6
245.08063	0.9
261.07458	1.8
262.17914	0.7
281.14923	4.1
286.18076	0.9
287.08887	0.8
304.18851	1.6
305.09985	2.0
322.20193	0.7
323.11200	19.3
344.11826	1.0
366.15176	1.4
366.19095	11.3
367.10312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01863	7.9
55.05503	30.1
57.03188	0.8
57.03429	13.6
57.07053	1.6
59.04987	1.3
65.03902	1.5
67.05496	45.3
69.03084	1.3
69.03423	13.7
69.07057	39.1
71.04958	3.2
71.62961	1.2
79.05480	32.4
81.03390	5.5
81.07045	38.8
83.04967	8.4
83.08603	11.1
85.02872	1.1
85.06528	3.4
86.23318	0.9
91.05469	26.3
93.07031	30.6
95.04961	12.3
95.08591	21.1
97.02878	15.6
97.06509	6.7
97.10155	15.1
99.04404	1.0
99.08101	1.4
103.05405	1.1
105.07018	24.6
107.04933	10.7
107.08582	26.2
109.02851	0.9
109.06520	6.2
109.10133	19.4
111.04418	2.2
111.08104	4.9
111.08745	0.9
115.05422	1.0
117.07006	10.0
119.04945	1.6
119.08568	16.2
121.06485	4.6
121.10126	9.6
123.08062	6.2
123.11665	3.1
125.06027	1.0
125.09603	14.1
128.06177	1.4
129.05421	1.2
129.06990	4.4
130.07816	0.9
131.08543	12.1
133.06458	3.2
133.10109	18.0
135.08061	7.0
135.11673	5.2
137.09573	4.0
141.06937	1.6
142.07784	1.1
143.08546	6.5
145.06454	1.3
145.10112	11.3
147.07991	8.5
147.11662	6.4
149.09593	5.4
149.13187	2.8
151.11143	8.1
153.09082	1.6
155.08530	2.2
157.10126	5.3
159.07996	2.3
159.11655	7.3
161.09579	5.5
161.13193	2.4
163.11131	3.6
163.14742	1.0
165.09062	2.3
169.10127	1.9
169.12236	1.3
171.10245	1.2
171.11636	3.5
173.09570	1.7
173.11784	1.6
173.13226	1.9
175.11159	3.9
177.09102	3.0
177.12740	2.6
179.10660	1.3
181.10077	1.9
183.11629	2.5
185.13205	2.3
187.11163	1.4
187.14755	2.0
189.11183	8.9
189.12666	1.5
193.10077	1.0
193.12152	1.1
195.11746	2.0
195.13766	2.8
197.13260	1.3
199.11353	1.0
199.14790	1.6
201.16406	1.1
203.14348	1.2
205.12183	3.7
207.11740	1.0
209.13295	1.3
219.13698	1.1
223.13231	30.2
227.12714	3.6
227.17966	1.7
237.10376	1.0
237.16394	1.6
245.19012	3.4
253.14334	5.8
255.17354	2.0
263.19980	3.3
273.18454	21.1
291.19504	100.0
292.19873	4.9
308.13901	0.9
347.22141	3.7
351.43277	0.9
365.23190	87.2
365.28079	4.9
366.23419	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01869	7.2
55.05505	28.4
56.96563	1.3
57.03429	10.4
59.04990	1.2
67.05495	34.4
69.03416	13.3
69.07059	41.4
70.74404	1.8
70.74766	1.8
71.04985	2.8
73.02909	1.4
79.05484	30.3
80.30728	0.9
81.03401	5.8
81.06568	1.7
81.07046	30.3
83.04958	3.6
83.08603	11.8
85.02876	1.8
85.06522	2.8
91.05463	16.0
93.07033	20.6
95.01300	1.1
95.04955	12.3
95.08595	16.2
97.02875	17.4
97.06507	5.0
97.10155	17.3
103.05436	1.0
105.06355	1.9
105.07014	17.9
107.04944	6.7
107.08575	17.3
109.06490	3.6
109.10135	12.5
109.10815	1.4
111.04404	1.3
111.08076	3.1
117.07011	7.4
119.04889	1.4
119.08569	14.7
120.34899	0.9
121.06481	2.8
121.10125	8.2
123.08070	6.2
123.08807	0.9
123.11694	2.6
125.09614	14.2
128.06218	1.0
129.06992	2.9
130.07771	1.6
131.08546	9.1
133.06467	3.3
133.10115	9.1
135.08005	5.6
135.11667	4.2
137.09573	3.6
143.08519	5.6
145.10092	8.7
147.08044	4.2
147.11694	4.8
149.09628	2.9
149.13248	2.9
151.07550	1.1
151.11104	1.4
153.09116	0.9
155.08485	1.5
157.10104	4.9
159.08070	1.4
159.11671	5.1
161.09604	2.4
161.13258	1.6
163.11177	2.4
165.09088	3.2
169.10136	2.5
171.11638	3.8
173.09567	2.0
173.11815	1.6
173.13211	1.7
175.11131	1.9
177.12712	2.0
183.11667	1.4
185.09683	1.3
185.13231	1.8
187.11249	1.8
187.14870	1.7
189.11206	7.5
189.12674	2.2
193.12315	1.4
195.11740	1.8
195.13855	2.5
197.13179	1.2
199.14845	1.1
205.12245	2.6
209.13313	1.7
213.16560	1.2
223.13254	32.0
227.12639	1.9
227.17972	1.4
237.16376	1.2
245.19044	1.8
255.17508	1.3
263.20273	1.3
267.09027	2.6
273.18439	14.9
284.12677	1.4
285.09976	5.0
291.19498	100.0
292.19958	3.7
347.22314	3.6
347.27127	1.0
365.23212	64.5
365.28165	2.8
366.23459	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
54.94575	0.9
55.01654	0.8
55.01864	8.1
55.05502	31.0
57.03423	12.1
57.07057	1.1
62.97307	0.8
65.03918	1.3
67.05493	40.2
69.03419	13.6
69.07057	38.7
71.04974	2.8
71.41575	0.8
71.62220	0.8
79.05479	32.5
81.03413	5.1
81.07044	37.7
83.04971	9.0
83.08595	10.4
85.06509	2.9
91.05469	24.3
93.06461	1.7
93.07029	27.2
93.07623	1.7
95.04953	12.0
95.08038	1.4
95.08593	19.8
97.02273	1.1
97.02880	15.3
97.06522	5.3
97.10155	16.5
99.08118	1.1
103.05451	0.9
105.07012	25.2
107.04936	9.7
107.08574	22.0
109.02805	1.0
109.06494	6.2
109.10138	18.4
111.04456	1.3
111.08051	3.6
113.05971	1.3
115.05407	1.6
117.07005	10.1
119.04893	1.4
119.08562	18.5
121.06499	4.7
121.10122	10.6
123.08064	5.3
123.11678	2.4
125.06013	1.1
125.09610	13.8
128.06198	0.8
129.05470	1.4
129.06978	4.6
131.08537	12.0
133.06479	4.4
133.10101	18.6
135.08026	8.3
135.11656	5.5
137.09616	4.3
142.07724	0.9
143.08546	6.0
145.06474	0.9
145.10141	8.1
147.08012	6.8
147.11629	5.0
149.09570	5.2
149.13219	3.6
151.11145	7.6
153.09070	1.5
155.08507	2.0
157.10049	5.3
159.07991	2.0
159.11667	5.8
161.09554	5.6
161.13226	2.1
163.11108	2.1
165.09103	2.7
165.12746	1.1
167.08444	0.8
169.10042	2.3
169.12225	1.4
171.10138	1.5
171.11635	5.0
173.09570	1.2
173.11784	1.4
173.13217	2.2
175.11176	2.7
175.14754	1.1
177.09142	1.0
177.12718	2.6
183.11691	1.1
185.13232	2.4
187.11252	1.8
187.14807	1.4
189.11182	8.0
189.12737	1.8
193.12117	1.1
195.11688	2.3
195.13814	2.4
197.13295	1.2
199.14793	1.3
205.12192	2.8
209.13252	1.5
213.16319	1.0
215.12732	1.0
221.15550	1.2
223.13222	27.6
227.12709	3.5
227.17874	2.5
241.98723	0.8
245.18925	2.8
249.14842	1.1
253.14331	5.6
255.17380	2.8
260.78534	0.8
263.19913	2.9
273.18436	23.7
280.36987	0.9
291.19492	100.0
292.19879	3.2
319.24197	1.1
332.52258	0.9
334.01523	0.9
347.22067	3.5
347.26459	1.5
365.23190	83.3
365.28012	3.7
366.23541	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	365.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.01850	10.8
55.05507	18.4
57.03436	16.1
57.07066	6.5
61.02925	13.5
65.03928	3.1
67.05491	27.7
69.03421	55.2
69.07058	21.5
70.77822	6.7
71.01344	2.5
71.04958	7.8
73.02914	14.0
75.04452	2.8
79.05482	24.1
81.03407	22.2
81.07048	84.1
81.26868	2.3
83.04963	13.9
83.08604	8.9
85.02892	70.7
85.06496	3.4
87.04463	8.1
91.03973	4.6
91.05466	27.7
91.12115	2.2
93.07033	58.1
95.04980	16.2
95.08591	64.0
97.02878	25.8
97.06526	8.0
97.10140	7.6
99.04449	13.6
101.02360	4.8
103.03931	9.8
105.07015	81.9
107.04920	3.3
107.07855	4.1
107.08583	69.4
109.02874	6.9
109.06477	12.0
109.10143	37.1
111.04428	7.9
111.08066	4.2
115.03905	6.3
117.06970	11.7
119.08563	96.6
121.06491	7.3
121.10117	40.0
123.08044	8.8
123.11682	24.1
125.05977	5.9
125.09605	5.6
127.03893	14.3
128.06192	2.6
129.05461	5.6
129.06979	7.6
129.79831	2.3
130.07828	2.9
131.08560	32.8
133.04953	5.8
133.06456	2.9
133.10118	53.7
135.08066	8.5
135.11687	29.7
137.05939	6.0
137.13231	3.8
139.07477	5.5
141.06917	4.3
142.07788	4.8
143.08562	19.6
144.09311	4.4
145.04935	10.3
145.10112	53.0
147.08028	5.0
147.11673	56.5
149.09589	3.3
149.13239	14.3
151.11165	6.9
153.05455	2.8
155.08510	9.0
156.09315	7.6
157.10118	29.4
159.06537	3.7
159.11682	52.8
161.09599	7.8
161.13228	23.3
163.11131	4.4
163.14787	6.1
165.09074	2.9
169.10136	8.3
170.10867	4.2
171.11661	25.1
173.08144	4.6
173.09550	5.5
173.13231	44.3
175.11275	4.1
175.13277	5.3
175.14796	96.6
177.09058	2.9
177.12796	3.2
177.16376	12.1
180.09254	3.0
181.10117	7.5
182.10832	3.2
183.11633	11.9
185.13202	13.4
187.11259	3.4
187.14781	23.0
188.07132	2.6
189.12711	4.2
189.16350	39.7
193.10124	4.8
195.11679	4.2
196.12459	3.3
197.13272	9.1
199.14883	12.4
201.11150	3.9
201.16341	54.1
203.17935	63.6
204.18347	3.4
209.13219	4.8
211.14862	5.7
213.12730	4.3
213.16353	22.5
215.17914	24.3
217.10652	5.4
221.11760	2.7
223.14821	2.7
225.16434	12.6
227.17894	26.3
229.16302	2.3
229.19487	3.1
231.17392	7.2
233.18985	4.5
237.12744	4.0
239.17987	9.7
241.19537	3.7
241.92630	2.3
243.17503	6.2
245.18936	12.1
251.17851	4.2
257.18964	10.1
267.17279	3.7
269.19073	10.2
275.20074	6.3
277.49408	2.4
281.18613	2.3
283.20450	3.1
287.20010	3.9
299.20032	5.9
311.20132	15.2
317.21017	2.9
329.21124	30.7
347.22122	38.1
359.10046	2.7
365.23212	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72239	0.4
51.89174	0.4
66.69585	0.4
67.05490	0.6
69.07046	0.5
69.67324	3.5
74.27973	0.5
80.42915	0.4
81.07106	0.4
96.04482	0.6
98.06054	0.6
98.21505	0.8
112.37570	0.4
122.06013	1.3
138.03900	0.5
138.05484	1.6
140.07024	1.3
146.09631	0.5
148.03903	1.2
148.07559	3.6
154.06378	0.5
156.08070	0.6
158.05959	0.7
160.07570	1.1
163.08777	0.5
166.04996	3.4
168.06552	1.1
171.09157	1.1
172.07533	1.6
174.09126	1.8
175.08635	3.9
176.07034	6.5
176.09399	1.1
186.05537	1.1
186.07669	0.5
189.10211	1.9
190.08594	1.9
194.08141	0.9
196.07539	0.7
198.07576	0.8
198.09180	0.8
199.08647	5.0
200.07114	3.4
200.08963	0.8
202.08635	1.5
203.08115	11.3
205.09567	0.5
207.11237	0.8
213.10185	3.4
214.08633	1.9
216.10179	1.3
217.09760	10.7
218.08218	1.0
224.07077	0.8
227.08157	9.8
228.06519	1.8
228.08861	1.3
229.09677	0.9
231.07626	1.1
235.10760	2.5
241.09705	6.8
242.08006	4.3
244.09738	1.0
245.09198	35.8
246.07539	1.1
246.09756	1.1
247.10742	2.0
250.07083	1.1
259.10742	7.3
263.10239	20.6
264.10797	0.8
269.09171	2.2
270.07657	0.6
271.10809	0.8
272.09073	0.7
273.08627	2.8
277.11771	0.7
282.30185	0.5
287.10208	16.3
289.11807	1.2
291.09659	4.4
292.10022	0.6
297.08603	0.6
305.11279	61.8
306.11569	2.2
315.09628	2.3
323.12326	17.5
333.10788	10.9
347.12286	1.1
365.13382	100.0
366.13583	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25546	3.1
53.03936	3.0
55.01855	4.7
55.05509	21.4
56.96552	4.3
57.03414	6.8
57.07052	3.8
64.88393	3.0
65.03913	3.5
65.38054	3.0
67.05491	31.4
69.03412	17.5
69.07053	21.0
71.04977	7.4
79.05481	30.1
81.03403	8.4
81.07051	100.0
83.04955	8.5
83.08593	7.9
85.02869	7.8
85.06525	8.8
85.53568	2.7
88.07620	3.4
91.05478	29.7
93.07027	35.8
95.04948	15.3
95.08601	43.3
97.02881	3.8
97.06519	22.4
97.10159	8.3
99.04433	7.0
99.08065	6.3
101.05996	3.2
105.07015	43.3
107.04937	5.2
107.08562	34.3
109.02866	7.6
109.06487	13.7
109.10152	23.7
110.62843	3.2
111.08062	6.4
117.06992	13.7
119.04919	3.9
119.08572	37.7
121.06482	10.1
121.10137	19.9
121.22291	3.0
123.08041	9.3
123.11681	12.7
125.09622	5.5
127.07565	3.2
128.06203	6.3
129.06979	11.7
130.07739	5.5
131.04010	2.7
131.08537	23.2
133.06461	3.6
133.10106	30.6
135.08058	11.0
135.11652	9.9
137.05959	9.8
137.09613	13.5
139.03795	5.8
141.06967	7.1
142.07768	12.7
143.08548	24.8
145.06429	3.6
145.10132	28.3
147.08052	9.4
147.11658	21.8
149.02322	11.7
149.09596	8.9
149.13211	4.3
151.11127	6.6
153.09055	6.3
155.08542	12.6
157.10124	71.2
159.08002	11.0
159.11665	22.6
161.05939	3.3
161.09578	12.2
161.13295	5.3
163.11166	10.0
165.06920	3.0
165.09149	4.2
165.12793	4.4
167.07047	3.8
169.10095	18.9
171.07892	4.7
171.11710	16.7
173.09618	5.8
173.13208	9.9
175.11131	12.4
175.14778	6.6
177.09149	3.7
177.12642	5.8
181.08626	4.8
181.10104	8.4
183.11668	23.3
185.09520	5.0
185.13226	12.3
187.11185	8.8
187.14819	8.4
189.12640	5.7
189.16394	3.4
191.10577	3.8
193.04987	14.7
195.11664	12.8
196.12396	5.0
197.13176	10.4
199.14821	4.2
200.20079	6.5
201.12666	5.9
203.10754	3.8
203.14348	6.3
205.12277	3.0
209.13165	9.4
211.11281	3.9
211.14767	12.9
213.12735	6.3
217.12106	5.7
219.11717	4.5
219.13780	3.3
223.14845	11.2
225.16350	3.3
227.14401	3.6
229.15788	6.7
239.17917	5.8
241.15776	4.0
245.15402	3.7
253.19562	7.3
255.13599	3.7
265.19510	4.6
277.19431	5.1
283.20456	9.4
285.10043	6.3
293.19196	8.9
295.20523	66.3
301.21536	5.2
303.17773	12.0
307.40903	3.5
311.20001	19.3
312.20581	5.5
313.21576	5.4
329.21042	41.4
330.21857	3.9
347.22260	11.0
365.10104	4.4
365.19931	4.9
365.23889	12.2
365.28558	8.1
366.22397	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	365.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76255	0.7
55.05488	0.8
57.03428	1.0
57.07078	4.2
61.02889	1.0
67.05483	1.5
69.03415	2.5
69.07021	0.8
70.02930	0.8
71.04974	1.8
71.62224	0.9
74.51967	0.6
79.05472	1.2
79.96982	0.7
80.04995	1.0
81.03346	1.1
81.04477	0.8
81.07018	2.7
83.04967	1.2
84.04462	2.6
85.02877	2.2
85.06504	2.7
91.05468	1.1
93.07005	2.0
94.06543	2.3
95.08609	1.6
97.02908	0.8
98.06026	2.0
99.05597	0.8
101.05984	1.4
105.07041	1.1
107.08549	2.7
108.04464	24.6
108.08930	1.3
109.02802	1.0
109.06529	1.2
109.10123	1.5
110.02347	1.2
110.06046	3.6
110.06713	0.7
118.06530	1.4
120.04436	3.3
121.10111	2.7
122.02368	60.8
122.06004	2.7
122.10433	2.4
124.03962	5.8
124.07584	4.1
125.09625	1.2
127.03915	1.9
132.08083	1.1
138.05461	2.3
140.03394	2.7
140.07045	4.0
141.07062	0.8
144.08020	0.9
146.05956	1.7
148.03882	6.0
149.09567	1.0
150.05481	4.2
152.03291	0.8
152.07047	13.2
154.04967	1.5
156.06531	0.9
164.03387	4.7
165.04196	5.0
166.04976	30.7
167.10651	2.4
167.14256	1.6
168.06534	23.0
168.11006	2.0
169.12163	1.3
170.08099	19.7
182.04462	53.3
183.05222	11.1
184.05997	1.1
185.11685	3.3
186.12070	2.3
187.09625	1.1
188.07074	1.8
196.06020	100.0
197.06543	3.1
198.07605	1.4
207.07602	3.1
245.09221	1.2
259.10358	0.7
263.10153	1.1
272.09140	1.0
273.08487	1.5
291.09784	2.6
301.08661	0.8
303.17761	1.3
305.11139	2.7
315.09677	2.9
320.74747	0.7
323.12390	1.8
330.56396	0.7
333.10754	47.3
334.11035	1.4
365.13220	2.4
366.12915	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59109	1.1
53.03934	2.8
55.01859	1.8
55.05507	2.4
57.03427	6.1
57.07043	1.7
59.04977	1.6
61.02909	1.3
67.05491	3.4
69.03419	6.1
69.07044	2.2
70.68021	3.1
70.68392	2.5
71.04962	2.6
72.04537	1.6
72.08125	1.2
73.02907	1.5
75.04470	14.9
79.05471	7.3
79.62068	1.2
81.03401	3.5
81.07060	12.4
83.04977	2.6
84.08161	1.5
84.55606	1.4
85.02896	18.2
85.06560	3.0
87.04462	2.9
90.05537	3.4
91.05470	8.2
93.07030	93.5
94.07378	1.9
95.04953	4.6
95.08591	6.8
97.02895	5.2
97.06526	4.9
99.04427	2.0
105.07019	7.2
107.08595	4.7
109.02903	2.7
109.06527	1.7
109.10122	4.8
111.08067	14.0
113.06007	1.2
114.72975	1.2
115.05333	1.2
116.03354	1.4
119.08566	2.1
121.06532	1.2
121.10126	100.0
122.10499	2.2
123.04421	1.8
123.08046	3.1
123.11695	2.8
125.05968	4.0
127.03904	5.5
137.05972	1.5
137.09608	4.0
138.05458	2.2
139.11154	22.2
142.08632	1.5
145.04910	3.7
149.09613	14.6
155.10635	8.4
159.00519	1.4
164.07056	3.6
167.06990	1.4
167.10655	57.2
176.07079	3.0
177.07820	6.8
180.08575	1.6
185.11803	3.1
190.08836	1.3
202.06921	1.9
202.10719	5.7
203.08153	3.7
204.10194	1.6
214.86748	1.2
217.09613	2.3
220.11861	2.5
227.08083	2.9
229.11040	4.1
237.50507	1.2
241.09802	2.2
245.09198	10.6
258.14902	6.3
259.10675	2.5
263.10138	7.4
273.13608	5.1
274.17981	2.2
284.93875	1.4
287.10263	3.9
291.09756	2.6
302.17462	36.0
303.17819	1.4
305.11325	17.2
311.14655	2.0
320.18503	35.7
321.18893	2.4
323.12247	7.5
328.13800	3.0
333.10797	3.8
346.20084	13.7
364.16400	1.9
364.21103	36.8
365.13345	30.1
365.20978	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43391	0.5
67.05484	0.5
69.07022	0.6
70.68071	0.5
70.77309	1.5
85.02891	0.5
85.83604	0.5
89.18037	0.6
91.05416	0.8
98.06039	0.6
109.10152	0.5
120.04480	0.7
122.06008	1.7
124.03963	0.6
138.03520	0.6
138.05455	2.1
140.07074	1.3
146.09604	0.4
148.03937	1.0
148.07619	3.0
160.07573	1.3
161.07141	0.7
162.09160	0.5
166.04984	3.8
168.06538	1.4
172.07573	1.6
174.09103	1.8
175.08620	5.0
176.07016	6.1
177.07179	0.5
178.08653	1.1
184.07587	0.6
185.07156	0.9
185.10628	0.6
185.15388	0.6
186.05479	0.7
186.09132	1.0
189.06572	0.5
189.10300	2.8
190.08609	1.9
194.08028	0.8
196.07600	1.0
198.07538	0.7
198.09192	1.0
199.08669	5.4
200.07080	3.0
200.08775	0.6
201.10249	0.7
202.08635	2.3
203.08125	15.9
203.16461	0.6
204.06500	1.4
204.08551	0.7
213.10237	4.3
214.08562	1.6
215.11765	0.6
216.10161	1.5
217.09731	10.3
218.08144	0.8
222.07782	0.5
224.07178	1.2
226.08647	0.7
227.08147	10.3
228.06522	2.0
228.08502	1.0
229.09747	1.5
231.07729	0.7
231.11220	0.6
235.10757	3.0
241.09709	6.1
242.08109	4.2
243.11252	0.9
244.09648	0.8
245.09187	37.1
246.07516	1.0
246.09697	1.2
247.10733	2.3
250.06996	0.7
259.10754	9.2
263.10239	26.8
264.10571	1.2
269.09119	3.4
270.07410	0.8
271.10645	1.1
273.08627	3.7
277.12033	0.9
287.10220	17.7
288.10678	0.7
289.11871	1.7
291.09775	6.0
303.17764	0.8
305.11273	58.7
306.11713	3.6
306.14838	0.5
309.10751	0.6
315.09665	2.2
323.12338	21.6
323.16223	1.1
324.12796	1.4
333.10773	12.8
333.14606	0.4
347.12430	1.3
365.13385	100.0
366.13647	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	364.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42924	0.9
55.01858	2.0
55.05508	3.1
57.03445	0.9
57.07047	1.0
57.44737	0.9
59.04979	1.7
60.04510	2.6
61.02932	1.0
67.05505	5.6
69.03417	3.8
69.07063	2.0
69.75470	5.9
71.04978	3.7
72.04492	1.4
77.03905	0.9
79.05477	5.9
81.03394	2.6
81.07044	25.9
83.04980	2.4
85.02885	9.8
85.06529	2.2
86.09712	1.1
87.04434	1.1
90.05545	3.6
91.05461	1.8
93.07032	8.8
95.04971	1.7
95.08592	35.6
96.08875	0.8
96.55653	0.8
97.02884	4.4
97.06506	2.6
98.02415	0.9
98.20817	1.4
99.04438	13.5
99.08089	3.6
105.07012	5.2
107.04941	1.0
107.08573	16.7
109.02872	1.6
109.06496	2.5
109.10134	2.0
111.04424	2.8
111.08044	1.0
121.06522	1.7
121.10117	11.6
123.08041	30.3
123.11710	7.7
124.07568	1.5
125.09614	2.0
127.03902	1.7
131.08545	1.9
132.06548	1.0
133.10063	1.7
137.09541	1.0
139.11139	2.2
141.09076	100.0
142.09485	2.1
145.04950	1.9
145.10089	1.0
149.09592	7.9
159.08095	0.9
165.09151	1.0
167.07040	1.9
167.10649	42.1
181.08536	1.0
184.09663	1.5
185.09894	1.3
185.11700	19.2
187.07477	1.0
190.08705	1.1
202.08836	1.1
202.10727	3.7
205.10939	1.3
220.11665	2.0
229.11028	1.1
244.46672	1.1
258.14917	2.7
263.13983	1.9
273.13464	4.1
284.16479	3.5
302.17465	22.0
320.18591	1.5
328.13864	2.6
346.20038	8.9
346.24139	1.0
346.25778	1.1
364.16620	2.0
364.21252	19.5
364.25992	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
59.04943	0.2
60.50890	0.2
61.02896	0.2
69.03416	0.5
70.75387	0.7
72.04501	0.4
74.32586	0.2
78.04707	1.4
79.05477	0.6
81.03400	0.5
81.07023	0.3
81.96084	0.2
83.04948	0.6
85.02882	0.8
90.05521	0.6
91.05446	0.3
95.04946	0.5
97.02891	0.4
99.04453	0.2
106.04140	0.7
107.04963	0.3
107.08549	0.2
109.02867	0.5
121.10151	0.2
123.04415	3.9
123.08019	0.2
124.05185	1.5
124.07608	0.4
127.03834	0.3
137.05983	0.4
142.08638	0.3
151.03857	0.9
152.04631	1.3
167.07016	100.0
168.07367	2.8
184.09662	0.5
185.11731	0.2
202.08937	0.3
202.10693	1.3
220.11784	0.7
227.89714	0.2
328.13831	0.5
346.14255	0.3
364.16156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34284	0.8
53.03932	2.0
55.01858	2.1
57.03423	1.7
57.07076	1.9
59.04976	2.9
61.02893	0.9
67.05487	3.9
69.03427	3.9
69.07060	3.7
70.31370	4.3
71.04984	2.7
72.04486	2.1
73.02894	2.3
75.04468	2.9
79.05483	8.7
80.44405	0.9
81.03420	2.3
81.07051	19.4
83.04944	1.1
84.08135	2.6
85.02897	11.0
85.06513	1.8
86.09716	1.4
86.10260	1.0
90.05534	5.6
91.05473	10.3
92.05793	1.4
93.07034	34.4
94.07395	1.2
95.04955	3.8
95.08591	14.0
97.02891	4.4
97.06509	5.8
98.02409	1.7
99.04424	1.3
100.03992	1.3
105.07018	6.9
107.04929	2.3
107.08579	8.4
109.02864	4.9
109.06503	0.9
109.10142	2.6
111.04394	1.1
111.08064	4.2
116.03432	2.4
119.08565	1.5
121.10126	100.0
122.10455	2.2
123.08044	3.2
123.11693	19.6
124.07577	3.4
125.05984	5.4
127.03889	3.6
129.52278	0.9
131.08598	1.7
135.08069	1.3
137.09610	1.9
139.11159	15.1
145.04898	2.8
147.06772	2.7
149.09583	13.6
149.13213	1.4
155.10614	1.3
160.09721	1.2
161.09581	0.9
164.07117	1.2
165.09062	1.4
167.06975	6.2
167.10652	57.9
168.07410	6.6
168.11028	1.5
171.08023	1.0
176.10670	1.7
177.07829	4.1
180.08678	1.3
184.09726	3.1
185.11754	3.7
201.09084	1.0
202.10727	9.2
202.12280	1.9
203.08144	2.3
203.11084	1.3
204.10229	2.0
217.06976	1.7
220.11783	4.5
229.10916	5.4
230.10390	1.0
234.09830	2.5
241.12241	1.4
244.06020	0.9
258.14883	7.1
262.12897	2.4
273.13525	8.3
283.16776	1.1
291.14719	1.3
292.51428	1.0
302.17447	64.4
303.17862	3.4
319.11368	1.3
320.18488	23.9
321.19077	1.5
328.13962	3.2
346.15207	1.7
346.20050	15.0
364.14713	5.5
364.21149	35.1
365.13593	1.7
365.21204	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08612	0.3
57.03423	0.4
61.02916	0.4
69.03425	0.9
70.06286	1.5
71.04973	0.3
78.04687	1.5
80.26444	0.3
81.03422	0.5
85.02888	3.5
85.54253	0.3
91.05509	0.3
95.04930	0.4
97.02855	0.9
106.04129	0.9
109.02843	0.4
109.74095	0.3
112.07652	0.4
116.40443	0.4
123.04408	4.6
124.05190	1.3
127.03925	0.6
140.04659	0.9
145.04907	0.7
151.03886	0.7
152.04645	1.5
155.06999	1.1
167.07007	100.0
168.07355	2.2
170.05800	0.3
180.08669	1.2
184.09538	0.4
185.08069	0.6
202.10698	0.3
225.40744	0.3
263.50623	0.3
293.23294	0.3
299.49280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.6
57.01665	1.0
57.07072	4.0
57.63228	0.7
59.05001	1.0
67.05494	5.1
68.33150	0.7
69.07060	9.8
70.80541	2.2
71.04973	2.0
71.08598	2.6
72.08140	1.8
73.06527	1.1
73.80375	0.8
79.05482	4.7
81.07047	11.6
83.08623	3.9
89.06023	5.9
91.05453	2.7
93.07016	5.7
95.04919	1.4
95.08062	0.8
95.08602	10.6
97.06509	2.5
97.10142	1.5
105.06995	3.6
107.08582	5.4
109.06497	8.2
109.10143	5.1
111.08051	1.8
111.31249	0.7
111.33371	0.9
119.08536	3.9
121.10136	3.8
122.07261	0.8
123.08054	52.2
123.11653	2.5
125.09579	1.1
131.08495	0.9
133.08589	1.5
133.10091	2.7
135.08026	2.6
135.11662	2.3
137.09575	3.5
137.13235	1.0
145.10124	0.9
147.11652	2.6
149.09525	1.0
149.13220	2.4
151.09610	5.1
151.11073	0.9
159.11710	1.6
159.59195	0.8
161.13226	1.4
165.12709	1.3
167.14255	1.3
179.14285	15.4
195.12288	1.3
211.62532	0.8
213.16479	1.0
217.26216	0.7
233.19051	1.1
251.04645	1.0
275.20074	1.6
289.25226	1.3
303.26599	0.9
307.22650	5.7
331.26443	4.3
351.20807	0.8
363.28848	100.0
364.29172	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	363.206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
65.03926	0.2
66.52422	0.2
67.05476	0.3
69.03397	0.3
70.77868	0.8
71.04966	0.2
79.05472	0.6
81.07051	0.7
83.04944	0.4
85.02876	0.4
85.06555	0.3
91.05465	1.4
93.07047	0.7
95.04931	0.4
95.08608	0.3
97.06488	0.7
97.10168	0.2
101.40513	0.2
105.07018	0.9
107.04987	0.2
107.08578	0.7
109.06506	0.4
109.10175	0.4
115.05431	1.0
117.05733	0.4
117.07025	1.4
118.06525	25.8
119.06873	0.7
119.08557	0.7
121.06499	0.6
121.10118	0.5
123.04421	0.6
125.09613	0.4
128.04976	0.3
130.06563	0.4
131.08559	0.6
132.08067	1.9
133.08855	1.2
133.10077	0.4
133.54718	0.2
134.09622	0.5
135.08034	0.4
142.06503	1.9
143.07283	1.9
143.08311	0.4
144.04433	0.6
144.08066	10.9
144.09212	0.6
145.06474	0.3
145.08385	0.3
145.10086	0.8
146.05988	45.6
146.09627	1.7
147.06339	1.4
157.10115	0.3
160.07474	0.6
163.11096	0.3
167.07039	3.4
167.08449	0.5
170.05962	3.7
173.13280	0.3
176.14317	100.0
177.14680	3.4
188.07034	30.0
189.07404	1.4
190.08522	0.2
216.13835	0.9
234.14853	2.0
302.17172	0.4
345.13281	0.3
363.20599	32.1
364.20990	2.6
374.40683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.5
55.01847	6.5
55.05504	9.3
55.11188	1.5
57.03424	3.4
57.07053	2.1
58.64409	1.4
59.04999	2.2
61.02907	3.7
67.05498	15.4
69.03412	13.2
69.07056	13.0
69.31778	18.9
71.04980	87.6
73.02898	3.2
73.06531	2.4
79.05054	2.5
79.05479	31.8
80.05790	1.7
81.03391	7.3
81.07038	30.6
83.04970	5.7
83.08604	1.6
83.80776	1.6
85.02888	23.4
85.06524	12.2
86.09743	1.7
90.05556	2.3
91.05463	13.1
92.05827	1.8
93.07024	41.2
95.04944	9.4
95.05463	1.7
95.08588	31.0
97.02869	11.8
97.06528	16.1
98.21504	3.5
99.04431	15.9
99.08088	8.9
105.03352	10.7
105.07009	23.0
107.04919	5.3
107.08575	44.7
109.02856	7.8
109.06503	11.2
109.10141	9.1
111.04443	1.8
111.08041	5.0
113.09622	1.9
117.06998	3.6
119.08571	15.3
119.54626	1.6
121.06487	4.1
121.10126	29.1
122.71642	1.5
123.04395	4.6
123.07314	1.5
123.08075	11.3
123.11691	8.6
125.05907	2.0
125.09618	9.4
126.34376	1.5
127.03899	11.4
127.07553	2.5
133.10118	2.4
135.08041	9.2
137.05966	3.2
137.09599	4.0
137.13225	7.5
139.11172	12.7
141.09064	4.4
145.04907	4.2
145.10106	4.0
147.07936	2.7
147.11656	24.9
149.09599	5.6
151.03888	12.3
152.04224	9.5
153.09053	3.5
156.46324	1.6
163.03851	2.1
163.07536	3.2
165.09090	6.6
165.12720	100.0
166.09476	3.6
166.13057	3.7
167.07019	20.7
167.10643	29.4
181.08537	3.6
183.06499	2.2
183.10248	2.9
183.13765	29.7
183.15326	3.0
185.11732	10.8
191.03394	1.7
201.11194	3.5
201.14824	9.7
202.10692	4.7
205.20514	1.8
216.08636	1.9
216.25063	1.9
220.11649	2.5
267.07593	6.8
285.08691	3.5
302.17392	7.3
303.08844	1.8
313.08087	2.8
328.14001	2.5
331.09238	4.0
346.20145	3.2
363.11322	2.8
363.25491	4.2
364.15952	1.9
364.21048	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	363.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69999	0.2
53.03923	0.3
55.01853	0.6
55.05497	0.6
57.03413	0.4
57.07044	0.3
64.62636	0.2
67.05483	0.7
67.11199	0.2
69.03412	1.8
69.07027	0.3
70.06569	0.3
71.04977	0.6
71.53883	0.3
72.04502	0.3
73.02905	0.3
78.04690	2.6
79.05479	1.4
80.24203	0.2
81.03393	0.9
81.07014	0.9
83.04968	1.2
85.02888	2.0
85.06541	0.3
86.09676	0.3
87.04474	0.4
90.05527	0.5
91.05479	1.4
93.07017	0.8
95.04959	1.6
95.08573	0.6
97.02868	0.8
97.06510	0.6
98.30178	0.3
99.04424	0.9
105.03339	0.3
105.06994	0.7
106.04153	1.3
107.04951	1.3
107.08591	1.5
109.02847	0.8
109.06499	0.5
109.10152	0.5
111.04399	0.7
111.08119	0.4
113.06005	0.3
117.92056	0.2
119.08549	0.5
121.02888	0.4
121.06516	1.1
121.10103	0.5
123.04401	7.0
123.07985	0.3
124.05209	2.2
124.07576	0.5
125.05968	0.4
125.09636	0.4
127.03876	0.9
129.05417	0.6
131.04895	1.0
134.03571	0.3
135.04369	0.4
135.08040	1.8
137.05930	0.9
137.09589	0.6
138.05464	1.0
139.07542	0.4
145.04939	0.4
147.04407	0.8
147.06494	0.4
147.08051	0.3
151.03877	1.6
151.07620	0.3
152.04649	1.6
153.03745	0.3
153.05396	0.5
153.09076	0.8
161.05957	0.4
163.03822	0.3
163.07550	0.4
165.05452	0.4
165.06943	0.4
165.09088	1.5
165.12833	0.3
166.04997	1.6
166.09441	1.0
167.07008	100.0
168.07353	2.1
174.11295	0.3
181.03181	1.2
181.04755	0.3
181.06453	0.6
181.08551	1.0
182.07317	0.3
183.08121	0.3
183.10153	0.9
183.13683	0.3
184.06001	0.5
185.11734	0.3
191.07004	2.5
193.08411	0.4
195.08012	0.4
197.05956	0.4
198.06786	0.4
201.11159	1.1
202.08711	0.4
202.10715	0.7
209.06007	0.4
209.07961	0.3
211.07561	0.3
213.09073	0.7
227.07069	0.4
237.17311	0.2
241.08444	0.4
243.06517	0.3
269.08136	0.4
273.11261	0.7
278.11130	0.3
285.11176	0.3
295.09509	0.4
299.09320	0.5
301.10580	1.0
313.10648	3.4
314.11188	0.5
318.10892	3.5
333.13263	2.4
334.13666	0.4
339.02188	0.3
345.13226	2.5
363.11536	0.5
363.16132	3.9
364.15912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15907	0.3
55.01851	0.4
57.03412	1.3
58.16290	0.3
59.09188	0.4
60.05630	0.8
61.02921	1.7
67.05479	0.5
69.03420	5.2
69.07047	0.5
70.03735	0.4
70.06580	0.4
70.39610	1.4
71.04974	0.8
73.02874	0.6
74.09700	0.7
74.52082	0.3
74.71948	0.3
78.39722	0.3
79.05470	0.5
80.05015	0.3
81.03395	1.8
81.07012	0.5
84.04535	0.4
84.08141	0.5
85.02888	12.8
86.03568	1.8
86.09670	0.8
87.04443	1.1
87.66147	0.4
91.03917	0.8
91.05449	1.0
93.07024	1.5
94.06544	3.0
95.04957	0.7
95.08623	0.4
96.04462	0.4
96.08092	0.6
97.02875	3.9
97.06501	0.7
98.97623	0.7
99.04416	0.6
108.08105	3.5
109.02843	1.1
109.06489	0.8
110.06017	2.2
112.03909	1.0
112.07564	0.7
119.04922	0.4
120.08061	0.5
120.54665	0.3
121.02864	0.7
122.06005	14.3
123.04436	1.8
124.07567	0.6
126.05473	0.4
127.03899	2.8
135.04387	0.6
136.07558	14.5
137.05957	1.0
138.09119	1.4
139.07521	1.1
140.07042	20.7
141.07394	0.4
144.32048	0.3
145.04919	1.9
147.04361	0.5
154.08601	13.2
161.05881	0.3
164.07034	2.7
165.05443	1.9
166.08682	0.4
167.07072	0.4
182.08096	18.2
183.06502	0.7
183.08470	0.9
200.09140	100.0
201.09477	3.1
215.13704	0.4
237.02823	0.5
260.73212	0.3
278.11301	2.3
303.09305	0.6
304.09152	1.0
344.13000	0.5
362.14322	1.3
364.72403	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01857	0.6
55.05492	0.7
56.38274	0.5
57.02098	0.5
57.03426	0.7
61.02906	0.9
65.03917	0.9
67.05500	0.6
69.03424	4.8
69.75037	1.1
69.75458	2.1
69.88245	0.4
71.04976	0.8
73.02910	0.7
75.40585	0.4
78.00661	0.6
79.05473	1.3
81.02973	0.7
81.03413	9.7
81.07046	0.7
83.04984	0.6
85.02895	10.8
91.05482	1.0
93.07024	0.9
95.04955	5.5
95.08616	0.6
97.02872	7.4
99.04433	1.4
104.61993	0.5
105.07006	3.1
107.08578	1.1
109.02880	3.8
109.10142	1.8
111.04417	1.5
119.08577	1.8
119.67622	0.5
121.02853	100.0
121.10100	0.6
122.03193	2.0
123.08009	0.5
125.09644	0.5
127.03909	5.1
129.05463	0.5
133.06462	2.6
135.08044	0.8
137.05983	3.7
137.09576	1.5
139.03880	21.9
145.04971	3.9
147.08052	1.2
149.05969	0.5
153.09128	0.7
165.09099	20.6
166.09438	0.6
167.07050	5.0
180.08580	0.7
183.10143	2.7
200.12675	2.8
209.12016	0.5
227.68266	0.5
259.39328	0.5
265.07034	15.8
266.07437	0.8
283.08078	24.0
284.08514	0.8
291.12173	0.7
362.18869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.7
55.01846	1.4
57.03418	3.2
61.02913	6.8
66.07406	1.0
69.03415	6.8
71.04952	1.6
71.61221	1.7
73.02896	4.0
81.03407	4.7
85.02886	17.9
86.09690	2.1
87.04446	2.3
91.05465	1.6
93.07021	1.8
94.99861	1.1
95.04953	1.1
97.02863	7.5
98.03239	1.1
98.97578	1.1
99.04444	2.1
101.00851	2.4
103.05429	1.8
106.13554	1.0
109.02818	2.6
115.02383	1.2
116.38356	0.9
119.01894	7.9
120.01984	2.1
121.02872	1.1
121.06480	49.2
127.03921	5.3
131.01880	4.3
132.19237	1.0
133.03447	2.3
133.04962	1.2
135.05016	1.0
137.04605	1.8
138.09113	15.4
138.22519	0.9
139.02344	1.7
140.04962	2.4
140.55003	1.0
143.01866	2.0
145.03413	3.6
145.04926	4.2
149.02829	1.3
152.07005	1.1
155.01863	2.5
156.10233	1.1
157.03441	4.2
159.03178	1.4
159.05022	1.8
161.02940	5.6
162.06308	1.3
167.06978	1.3
171.04956	3.6
173.02919	3.7
174.03117	1.6
175.04453	4.6
176.04697	1.9
176.07558	1.4
182.04436	5.8
183.04990	2.7
184.05750	1.7
184.55954	1.4
185.02814	1.2
187.04494	1.2
189.02414	1.1
189.06010	1.6
200.03163	88.1
200.05365	6.0
201.03566	1.3
201.05994	2.3
203.03920	1.3
209.03462	1.0
211.04475	1.2
212.04620	1.6
212.07112	3.4
212.57097	1.6
214.09235	2.0
221.05006	3.3
222.05151	2.1
223.06552	3.7
225.06195	1.5
232.10237	1.1
234.06491	1.5
241.07683	2.7
242.58267	3.2
243.08504	1.6
244.09705	1.3
245.04910	2.0
245.08665	1.2
246.05304	1.2
248.06822	1.2
258.02222	1.2
258.05057	1.0
259.06570	1.9
265.07724	1.8
272.94861	1.2
273.08179	4.5
279.09280	2.3
284.68292	1.3
302.07751	1.6
302.10806	3.5
303.09180	4.8
320.08960	4.3
321.10367	2.2
335.08051	1.4
362.08389	100.0
362.16287	3.8
363.07889	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.5
55.05504	4.7
57.03412	1.5
64.27925	1.3
65.03928	1.5
67.05146	1.2
67.05505	4.5
69.03422	3.7
69.07043	3.5
71.17875	2.9
78.04695	2.2
79.05487	14.8
81.03430	1.9
81.07053	7.8
83.04955	3.1
83.08619	1.5
85.02903	5.1
85.06549	4.4
91.05467	26.0
91.06003	2.2
93.07034	16.6
94.04208	1.4
95.04945	10.4
95.08607	5.5
97.02907	2.4
97.06485	1.3
97.10166	2.0
99.04435	2.4
99.08072	1.3
103.05451	11.9
105.04536	1.4
105.07027	11.1
107.04948	32.1
107.08578	6.3
109.02896	1.7
109.06529	3.1
109.10156	5.3
110.03656	1.6
111.04432	2.9
111.08084	3.7
115.05444	6.1
116.06242	1.6
117.06994	5.6
119.04939	6.5
119.08580	3.3
120.05737	2.4
121.06494	25.9
121.10134	3.1
122.03667	1.8
123.04430	7.1
123.08054	2.7
123.11710	1.5
124.05200	5.4
125.05977	4.1
125.09635	3.7
127.03914	3.3
128.06219	8.2
129.06990	23.7
129.84457	1.1
131.04912	8.7
131.08549	13.5
133.02786	2.6
133.06483	4.7
134.05836	1.1
135.04451	2.1
135.08029	7.4
135.11710	2.5
136.05121	1.6
137.05971	19.4
137.09602	3.0
138.03120	2.2
138.06627	1.5
139.07532	1.9
141.06946	1.9
143.04945	1.8
143.08673	1.6
144.05725	1.5
145.06459	7.5
145.10121	1.3
146.07239	2.8
147.04381	5.9
147.08031	4.4
148.05148	2.4
149.05969	6.8
150.06711	2.6
151.03932	4.1
151.07538	17.6
152.04660	3.9
152.06166	2.2
153.05470	14.2
153.06801	2.7
154.06212	1.6
155.07047	2.1
155.08559	2.3
155.10716	1.4
157.06476	17.3
158.07155	1.5
159.04446	1.5
159.08040	3.2
159.11673	1.4
160.05244	1.5
161.04623	2.1
161.05965	34.3
161.09593	10.3
162.06599	1.3
162.10043	1.4
163.07518	21.8
163.11230	1.4
163.14824	4.3
164.07997	1.2
165.05560	2.5
165.06950	6.9
165.09100	9.5
166.06248	9.9
166.07587	2.1
167.07039	71.7
167.08504	5.9
168.07477	1.8
169.06409	1.8
169.10117	1.2
171.07997	2.0
173.06000	2.0
174.06741	12.3
175.07561	8.8
177.05356	2.0
177.06961	1.8
177.07448	1.7
177.09067	10.3
178.07727	1.6
179.03545	1.2
179.07028	3.2
179.08553	6.6
179.10440	1.3
181.05116	2.0
181.06689	4.2
181.08578	100.0
181.15802	2.3
182.07285	7.2
182.08986	3.1
183.08076	1.9
187.07613	2.4
189.09091	82.6
190.07834	1.6
190.09441	2.2
191.06992	2.3
191.08574	3.6
191.10670	3.8
193.06465	3.2
193.08482	1.9
194.07245	3.6
195.08122	10.9
196.08818	1.5
197.05873	3.5
197.09613	10.1
198.06752	1.4
199.07494	3.1
199.13322	1.6
199.16960	5.3
203.10606	3.1
205.06602	2.1
207.08102	3.8
207.10176	18.2
208.08783	3.7
208.10541	1.3
209.06039	2.8
209.09608	1.3
210.06738	6.6
211.07457	5.7
212.08342	4.0
213.05508	1.4
213.09090	1.8
218.07254	1.6
219.08029	4.1
219.10074	1.7
221.05966	3.9
222.06743	3.5
223.07526	9.8
223.11171	4.4
224.08267	3.7
225.05620	2.4
225.09079	13.3
226.09877	1.5
227.07074	5.0
229.12184	3.1
235.07550	4.2
236.08261	5.9
237.05450	1.9
237.09090	4.8
238.06293	2.3
239.07082	6.0
239.10637	3.3
240.07800	5.0
241.08548	2.4
242.09331	3.4
247.07655	2.8
251.07123	3.2
251.10629	6.5
253.08601	13.2
254.09230	2.3
255.06525	4.4
255.10167	5.0
257.07986	1.5
257.08945	1.6
257.11713	14.4
264.07867	1.8
265.08554	3.6
267.06757	2.4
267.10193	4.8
268.07434	2.7
268.10681	1.4
269.08066	3.3
270.08832	3.3
271.13275	4.6
279.10138	5.5
283.06351	2.1
283.09668	13.6
283.13263	7.9
285.08029	1.9
285.11142	32.8
286.11615	3.3
297.11279	4.3
299.09137	3.2
299.12827	5.0
300.09830	2.2
301.14178	1.3
302.11493	4.6
303.12097	1.7
305.13889	2.4
311.12726	9.9
315.12265	18.9
317.13770	28.3
318.13986	2.3
328.12994	2.4
329.13910	3.7
331.15430	6.2
343.15402	15.0
361.12750	1.9
361.16507	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	360.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34466	2.9
53.03944	3.0
55.01862	7.3
55.05502	39.0
56.19653	3.2
57.03426	4.5
59.04990	5.3
65.03934	3.5
67.05496	77.5
69.03413	8.3
69.07056	41.6
70.75073	9.4
70.75443	3.5
71.04982	100.0
73.06545	3.9
74.52259	2.6
77.60678	2.7
79.05479	66.6
79.87390	2.6
81.03421	4.1
81.07044	60.7
83.04954	8.0
83.08612	20.2
85.02885	19.6
85.06522	8.7
91.05477	32.2
93.07027	71.3
95.04953	9.8
95.08595	41.4
97.02868	5.6
97.06516	15.2
97.10151	30.6
105.07023	28.2
107.04950	6.5
107.08578	59.5
108.08907	2.9
109.06512	7.3
109.10144	49.4
111.08096	7.7
113.06007	2.8
116.01621	3.6
117.06998	7.7
119.08572	23.1
121.06478	7.1
121.10129	69.2
124.99396	3.0
125.09618	29.6
127.03902	12.0
129.06973	4.6
131.08583	15.5
133.10107	20.3
135.08028	6.1
135.11679	12.2
137.09578	6.8
139.11188	3.3
145.04948	11.0
145.10124	12.2
147.11691	8.1
149.09595	10.1
149.13245	7.2
153.12724	42.6
154.16388	3.1
155.08606	3.3
155.10651	12.6
156.01158	3.4
157.10159	5.9
159.11636	14.9
161.13187	4.3
163.11159	7.4
173.11720	81.4
173.13145	7.1
177.12753	7.5
179.14322	4.6
189.11217	29.6
189.12753	5.0
195.13786	14.9
209.15340	4.9
227.16371	50.2
229.19585	3.4
239.17979	3.3
257.19037	9.2
259.03531	3.5
268.02786	7.7
275.17145	2.5
275.20004	73.0
276.20334	4.3
276.99564	3.1
293.21045	5.6
301.04758	3.1
307.22787	9.7
360.22513	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	361.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11542	0.7
52.88409	0.7
58.99570	8.0
68.99786	0.8
69.03392	2.8
69.53125	5.8
72.08136	1.4
72.46667	0.8
73.01115	1.0
73.08973	1.0
76.02212	5.7
76.03967	2.4
80.04963	1.0
81.07055	0.8
82.79802	0.8
85.02861	2.4
86.09675	1.7
86.99036	4.5
88.02176	1.9
88.03976	1.0
91.05448	1.1
95.01295	2.0
95.04933	1.5
96.04472	4.8
97.02879	6.0
100.00893	0.8
101.21531	0.8
107.04932	0.9
107.08561	1.1
112.02194	1.1
114.05518	1.2
116.01659	25.2
119.01891	1.0
122.02360	2.9
123.00764	16.3
123.04322	0.8
123.54886	0.8
124.02168	1.7
125.05949	0.8
126.03687	1.4
127.03867	2.8
136.03938	1.4
137.00598	0.9
137.05887	1.5
138.00052	18.3
140.01631	9.8
140.03391	5.7
140.04623	2.6
144.01183	5.6
145.04945	1.5
147.04343	1.2
148.03865	1.1
152.01607	7.9
153.00014	1.3
153.99472	0.8
154.03165	3.1
155.07025	1.3
156.01114	48.0
162.02148	6.7
162.05482	1.7
163.03897	0.8
164.03378	5.0
170.02681	1.7
171.01065	2.0
177.04166	1.3
178.04962	1.3
179.04843	4.5
180.01080	6.0
181.08560	1.2
182.04434	5.3
183.02844	1.2
184.00523	0.7
190.73097	0.7
194.02663	3.9
198.02176	12.8
198.03821	1.5
199.05899	3.1
199.09607	2.7
200.05482	0.9
202.01521	1.3
213.03255	11.3
215.00002	1.3
221.05011	3.1
222.02147	2.3
226.01512	1.0
227.04811	1.8
237.03116	0.8
240.03212	44.9
241.02739	14.2
250.01527	1.1
255.04356	3.0
258.04398	1.3
259.03802	74.4
260.04080	0.8
268.02707	100.0
269.02963	1.7
283.03778	2.7
297.05405	1.6
301.04843	53.4
301.11456	2.3
302.05273	1.0
325.04730	1.0
343.05960	10.5
361.06943	45.7
361.14001	4.9
362.07272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.8
55.01865	16.6
55.05504	54.2
57.02151	3.2
57.03420	16.5
59.04742	4.0
59.04999	53.1
65.03926	4.6
66.38319	3.5
67.05168	6.0
67.05494	84.1
68.45573	3.6
69.03423	20.6
69.07060	100.0
69.53423	7.3
69.53830	30.8
70.04178	3.1
71.01340	3.6
71.04981	78.0
73.02911	16.7
79.05489	80.4
81.03410	27.4
81.07041	60.3
83.04951	10.7
83.08611	34.0
84.02103	5.6
85.02897	14.2
85.06515	13.7
91.05467	38.6
93.07034	60.3
95.04964	27.5
95.08591	31.2
97.02863	5.6
97.06517	73.9
97.10149	41.4
99.04424	4.7
99.44001	4.8
105.07014	35.2
107.04926	7.5
107.08569	45.1
109.06500	20.2
109.10146	28.4
111.08080	10.5
113.05960	5.9
115.07556	50.3
117.07006	14.3
119.08572	19.3
121.06458	9.7
121.10139	34.2
123.04440	4.5
123.08031	11.6
123.11717	4.3
125.09625	42.0
125.81852	3.3
127.03893	12.0
128.06268	3.5
129.06920	7.1
131.07051	4.2
131.08522	11.4
133.10112	18.1
135.08038	12.7
135.11649	8.7
137.05920	5.1
137.09589	11.6
143.08562	6.3
145.04944	8.9
145.10104	13.3
147.08037	5.1
147.11658	12.0
149.09593	8.4
149.13271	5.9
153.12729	20.3
155.10568	4.1
157.10085	6.2
159.11626	6.0
161.13263	4.9
163.11230	5.4
166.68694	3.9
171.11621	4.0
173.11725	32.9
173.13132	5.5
175.14787	4.2
177.12729	3.9
189.11211	27.7
191.10791	3.6
194.12987	12.1
216.28410	3.3
222.14694	3.2
223.13269	12.7
237.14859	9.1
246.05446	4.2
268.02753	5.9
273.18362	6.8
275.20050	23.4
307.51889	3.7
325.20120	5.8
360.23065	5.3
364.28201	3.9
376.67493	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25266	0.5
53.03927	0.6
61.02911	1.1
69.03420	3.1
70.06583	0.8
71.05988	0.5
71.06715	1.2
71.07092	1.1
73.02906	1.2
77.03928	0.7
79.05469	0.8
81.03363	0.7
81.07057	0.5
85.02896	10.8
85.06550	0.5
86.09679	1.1
89.03892	0.7
91.03929	1.1
91.05453	0.7
95.04960	0.9
95.08605	0.8
97.02871	2.7
99.04423	0.7
103.05450	31.0
104.05783	1.3
107.04932	1.1
107.08562	0.8
109.02870	1.1
113.02348	0.5
117.03386	0.6
117.07033	0.5
119.04920	0.6
121.06483	0.5
125.92141	0.5
127.03878	4.4
131.04907	100.0
132.05260	3.5
135.04408	2.6
137.05965	1.5
145.02808	2.3
145.04945	3.5
145.06471	0.6
147.04391	1.9
163.03889	19.9
163.07518	43.6
164.04225	0.9
164.07936	0.9
167.07025	0.8
177.05421	0.6
178.05766	0.8
180.08656	1.6
180.10179	1.5
181.04935	9.0
181.08597	1.5
191.07147	0.7
197.08113	0.9
198.08281	0.7
198.11263	2.4
208.09773	0.8
229.09850	0.7
333.38812	0.5
360.17145	0.7
361.09369	0.6
361.13910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.0
55.01863	10.8
55.05499	58.9
57.03421	7.0
59.04989	38.9
65.73827	3.9
67.05495	74.8
69.03406	22.3
69.07058	100.0
69.51104	15.0
69.51535	16.4
71.04981	71.9
73.02898	5.1
79.05484	50.7
81.03400	22.3
81.07043	68.4
82.48119	3.3
83.04973	13.8
83.08600	33.0
83.90965	3.3
85.02901	21.7
85.06545	12.4
91.05466	40.0
93.07026	47.4
95.04959	28.9
95.08604	36.0
97.02873	6.4
97.06519	57.9
97.10152	40.0
99.04445	5.9
99.08090	5.8
105.07024	28.6
107.04934	16.6
107.08583	39.1
109.06485	31.2
109.10149	15.1
111.08080	8.5
113.05968	7.0
115.07529	6.6
117.06998	14.2
118.51395	4.2
119.04941	4.5
119.08586	20.6
121.06508	10.4
121.10134	15.6
123.04409	5.5
123.08063	6.1
123.11732	5.6
125.09617	33.3
127.03893	9.8
129.06987	8.4
131.08519	20.1
133.10110	20.0
135.08041	10.3
135.11652	11.8
137.09586	11.5
143.08545	5.5
145.04958	8.9
145.06517	5.3
145.10081	10.6
147.11617	7.9
149.09605	9.7
153.12753	5.0
157.10103	8.4
159.08015	5.1
159.11682	13.8
161.09622	5.1
163.11208	4.0
167.07022	5.0
173.11734	13.8
174.90865	4.0
175.11200	6.5
175.14827	4.1
175.74455	3.7
177.12744	8.6
185.72874	3.8
189.11215	15.3
195.13794	4.8
205.12198	4.2
219.13893	4.5
223.13249	16.7
227.16319	18.7
237.14899	10.5
240.03091	4.2
259.03912	5.0
268.02975	4.5
273.18591	13.3
275.19974	11.8
307.22888	3.5
360.23175	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	360.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29604	1.0
53.03924	1.4
53.83434	0.9
55.01857	8.3
57.03423	9.9
61.02914	4.4
62.06067	1.5
69.03069	2.0
69.03419	31.9
70.06604	1.3
71.04964	2.6
71.61594	1.1
71.86406	1.0
73.02905	8.8
75.27080	1.1
81.03390	4.1
85.02892	100.0
86.03233	1.1
86.09669	1.3
87.04459	1.4
89.03896	5.1
91.03911	1.3
97.02878	34.1
99.04446	8.2
101.02362	5.3
109.02838	6.1
115.03915	3.5
116.01701	1.5
117.03316	3.8
119.01944	2.3
124.07528	1.1
127.03896	79.1
128.04210	1.7
135.04405	5.8
143.01884	2.0
145.02895	3.3
145.04932	70.5
146.05313	1.6
152.07048	1.0
156.01128	2.2
157.03502	2.7
161.02942	2.4
163.02519	2.3
163.03885	33.4
163.05951	22.7
164.04240	2.8
169.03404	2.0
171.04955	2.0
173.03001	2.1
175.04576	1.3
180.06508	1.4
180.08672	4.8
185.02911	2.4
187.04497	2.9
194.07144	1.2
195.06985	1.1
197.02917	2.2
198.07433	2.0
211.30348	1.1
215.03954	1.7
221.05125	1.1
223.06606	1.9
223.88005	1.1
240.03355	2.0
245.05034	6.7
259.03821	2.3
259.08054	1.1
268.02808	2.1
269.07880	1.3
271.08170	1.3
275.06027	8.9
287.06158	1.0
298.67404	1.2
305.07391	1.4
344.72162	1.2
360.10031	1.4
361.04962	1.9
361.09250	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	360.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14222	0.3
54.71196	0.3
55.01859	0.5
57.03392	0.8
58.61914	0.3
62.48067	0.3
67.05467	0.8
68.99769	1.1
69.03398	0.8
70.06582	2.5
70.68002	0.4
70.68386	0.5
71.01355	0.4
79.05489	0.5
81.03362	0.4
81.07021	1.1
83.01301	0.8
85.02874	1.3
91.05435	2.0
93.07018	0.9
95.04962	2.0
95.08562	0.9
97.02840	0.5
103.05418	0.5
105.03343	0.4
105.07018	0.9
107.04943	1.7
107.08559	1.0
109.02813	0.4
109.06438	0.4
109.10119	0.5
115.05415	0.4
117.03281	0.3
117.07007	2.3
119.04930	1.7
119.08557	0.4
121.06468	3.0
123.04401	23.1
127.03890	0.8
131.04898	0.7
135.04382	1.5
135.08018	3.2
136.07541	1.8
137.05949	1.6
139.03879	0.4
139.09416	0.3
143.10657	0.4
145.02782	0.6
145.04887	0.3
145.06409	2.0
146.03143	0.8
147.04373	7.2
149.05942	2.8
150.06366	0.4
151.03880	1.6
157.06456	0.7
161.05936	1.9
162.09000	0.6
163.03841	1.4
163.07512	13.8
164.07863	0.4
165.05415	3.8
167.06987	1.6
168.04742	0.4
173.05931	4.8
175.07509	1.1
176.04532	0.4
177.05432	1.9
178.05800	2.0
179.06987	4.9
180.07884	0.4
180.10078	0.4
181.04889	0.6
181.08510	0.6
185.05943	0.9
187.07462	0.6
188.07098	0.5
189.05478	0.5
190.06860	0.6
190.08591	11.3
191.06984	58.8
192.07318	1.4
196.04207	0.7
198.11211	0.3
202.57222	0.3
203.06978	3.0
207.06569	0.9
208.09639	100.0
209.09952	2.8
220.09656	1.0
229.83263	0.3
299.09409	0.4
325.10620	4.6
342.13321	4.3
343.11615	2.4
360.14328	41.7
361.14722	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01853	1.1
57.03425	1.1
61.02898	0.5
62.91981	0.5
63.00723	0.5
65.03925	0.9
67.05496	1.3
69.03416	3.7
70.06594	0.6
71.16837	1.2
71.17183	0.5
79.05472	1.0
81.03384	1.4
81.07019	1.2
85.02888	6.8
86.09712	1.4
90.13064	0.5
91.17928	0.7
93.07018	0.6
95.04940	1.2
97.02872	1.6
99.04436	0.8
105.03370	1.8
105.06982	1.0
106.03714	0.8
107.08566	1.3
109.02846	0.6
109.06467	0.7
109.10123	1.0
119.08576	0.8
121.02846	1.6
121.10186	0.6
123.04420	1.1
127.03873	1.8
133.02818	2.8
134.10391	0.6
135.04405	1.6
136.07568	1.0
137.09586	0.8
139.07568	0.5
145.04924	2.2
145.10138	0.6
149.02315	100.0
150.02637	1.8
150.03702	1.2
153.05438	1.2
163.03877	70.0
163.07565	1.8
163.11180	0.8
164.04179	1.7
164.07092	1.1
165.05460	0.9
167.03430	1.0
168.04776	6.5
180.08592	1.1
180.10989	0.7
181.04927	38.3
182.05305	0.9
191.07063	1.8
196.04248	15.6
197.11656	1.9
198.12123	2.9
208.09651	2.0
336.31625	0.6
360.10928	3.4
360.23773	1.1
368.83569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.8
56.97291	0.3
57.03405	1.0
67.05489	0.7
68.99759	1.0
69.03406	0.4
70.06580	2.3
70.77460	0.8
70.77802	0.4
79.05469	0.6
81.07029	1.1
83.01323	0.6
85.02863	0.8
91.05457	1.9
93.07024	0.6
93.58967	0.3
95.04962	2.1
95.08544	0.8
97.02892	0.4
103.05428	0.6
105.06991	1.1
107.04921	0.8
107.08529	1.0
115.05436	0.6
117.06981	2.2
119.04948	1.8
121.02778	0.4
121.06455	2.6
123.04405	21.5
131.04880	0.5
134.54971	0.3
135.04434	1.6
135.08038	3.3
136.07544	1.9
137.05940	1.1
137.55499	0.4
141.11127	0.4
145.04907	0.3
145.06441	1.9
147.04399	6.7
148.05139	0.5
149.05969	1.6
151.03833	1.7
157.06322	0.4
161.05963	2.1
163.03864	1.4
163.07521	12.5
165.05444	3.7
167.07056	0.4
168.04721	0.7
173.05956	6.1
175.07500	0.9
176.04576	0.5
177.05431	1.1
178.05777	0.9
179.07011	4.6
181.08513	0.5
185.05949	0.8
188.06937	0.4
189.05540	0.7
190.08588	8.8
191.06989	58.4
192.07356	1.2
196.04248	1.7
203.06949	2.8
208.09647	100.0
209.10043	2.1
215.06859	0.4
220.09692	2.1
221.08092	0.5
325.10620	4.5
342.13324	4.0
343.11398	1.9
360.14343	39.2
361.14624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1695
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03923	1.0
55.01846	0.8
55.05503	0.8
57.03389	1.5
57.39284	0.5
59.04957	0.7
61.02928	2.7
67.05479	1.5
69.03419	6.7
69.66425	4.0
71.04965	0.9
73.02906	0.9
73.39156	0.6
77.03876	0.5
77.22134	0.5
79.05470	1.4
81.03382	2.1
81.07033	1.3
83.06094	1.1
85.02897	26.2
85.06532	0.6
87.04415	0.8
91.03944	1.3
91.05453	3.6
93.07030	5.4
95.04955	3.3
95.06050	0.6
95.08577	1.2
96.04471	0.6
97.02885	5.7
98.21456	1.1
99.04408	1.4
105.05780	0.8
105.07029	4.9
107.04913	0.6
107.08585	15.4
109.02863	3.3
109.06515	1.4
109.10109	1.8
111.05532	2.8
119.08540	2.3
120.04420	1.5
121.02854	8.8
121.06476	1.7
121.10017	0.6
122.03207	0.6
123.04423	1.1
123.11674	1.0
125.05889	0.9
126.06616	2.4
127.03905	5.0
130.06544	0.6
131.08539	0.8
132.04442	17.8
133.10112	18.4
134.05992	4.1
135.08017	1.7
135.11684	16.7
137.04631	0.7
137.05951	1.6
137.09589	1.5
139.03897	1.3
139.07558	0.6
145.04922	2.2
151.06146	7.1
151.11179	1.3
161.09618	10.3
163.07559	0.9
164.07082	1.9
177.05479	0.6
179.10645	32.1
181.08533	1.4
194.06764	2.8
195.06551	1.0
197.11699	100.0
198.12057	3.5
202.09781	1.4
208.09758	1.0
216.11285	0.6
217.09770	0.6
230.09233	0.7
232.10883	1.1
242.09218	3.2
245.09164	0.8
257.10220	2.6
259.11890	7.1
265.07071	0.6
284.11469	3.5
302.12445	11.3
327.12119	1.9
345.13037	79.6
346.13382	4.3
359.14313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1693
Annotation	Loliolide beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03930	0.9
55.01844	0.4
55.05468	0.5
57.03410	0.9
61.02900	1.6
67.05474	0.7
69.03425	3.0
69.07044	0.6
72.35135	0.3
73.02879	1.0
79.05495	1.9
81.03384	1.7
81.07048	1.8
85.02890	9.4
85.06531	0.6
87.04433	0.5
91.05455	2.4
93.06467	0.4
93.07023	5.2
95.04942	0.4
95.08584	1.5
97.02874	2.4
97.06491	0.7
98.20722	0.9
99.04439	0.6
103.05482	0.4
105.03382	2.1
105.07003	5.8
107.08575	27.8
108.08933	0.6
109.02827	1.2
109.06494	1.1
109.10149	1.6
111.08021	0.5
117.07037	0.3
119.04885	0.5
119.08579	4.2
121.06522	0.9
121.10113	4.8
123.08010	0.6
123.11671	1.2
127.03883	1.8
131.08554	0.7
133.06482	0.5
133.10109	15.6
134.10428	0.9
135.08011	1.0
135.11626	0.6
137.05936	1.4
137.09552	1.0
139.07538	1.6
139.11107	0.3
141.22925	0.3
143.08546	0.7
145.04938	1.3
145.10098	0.5
149.09583	3.4
151.07562	1.0
151.11162	7.0
161.05939	0.4
161.09599	4.8
162.06339	0.5
167.10649	11.6
168.10962	0.4
179.10637	15.4
179.14240	0.7
180.10994	0.4
180.13741	0.4
195.06462	1.8
197.11700	100.0
198.10399	0.5
198.12051	3.8
198.14737	0.6
198.22789	0.3
215.30708	0.3
249.07561	1.1
267.08453	0.5
359.17285	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86657	0.4
54.17195	0.4
56.05023	0.9
61.02891	0.5
65.03897	0.5
67.05495	0.6
69.03403	2.2
71.04945	0.7
78.95325	0.4
79.05469	1.3
81.03402	1.3
83.06072	0.8
85.02889	8.0
86.03529	1.0
91.03944	0.6
91.05460	0.8
93.07022	2.1
95.04966	1.4
95.06090	1.2
97.02867	2.2
98.20736	0.9
105.05750	0.6
105.07003	1.5
107.08582	5.1
109.02852	1.3
111.05540	3.7
119.08549	0.6
120.04446	2.1
121.02844	10.8
121.06474	1.1
123.05556	0.6
124.05128	0.5
125.05862	0.7
126.06609	1.8
127.03903	1.2
127.05011	0.5
132.04433	24.2
133.10124	5.7
134.05988	4.6
135.11673	5.0
137.04710	2.3
137.05745	0.5
139.03873	1.7
145.04951	1.0
146.02373	0.6
151.06136	8.9
151.07243	0.4
159.05554	0.6
161.09570	3.1
164.07053	2.1
177.04034	0.7
179.10614	9.9
194.06718	3.9
195.07527	0.6
197.11694	26.4
202.09766	1.5
214.09613	0.5
216.11432	0.8
217.09721	1.1
227.09271	0.6
229.36388	0.6
230.09215	2.0
232.10745	1.2
242.09204	4.1
245.09106	1.0
257.10297	4.7
258.08734	0.9
259.11871	11.7
283.08038	1.3
284.11423	6.4
289.70059	0.5
292.75345	0.5
302.12427	14.8
327.11896	3.6
345.13010	100.0
346.13644	3.0
350.11215	0.5
359.14716	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1329
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
55.01858	2.5
60.37683	0.9
61.23803	1.0
62.63663	0.9
65.03931	1.2
67.05453	1.2
67.52579	0.9
69.03419	1.2
69.48672	8.2
69.49073	1.9
70.24334	1.0
73.02905	26.6
85.02875	1.9
86.09698	1.0
87.89160	1.1
87.98006	1.0
91.05430	1.8
95.04926	1.6
104.11768	1.0
107.08558	1.3
110.03633	1.7
111.04448	1.8
112.11512	1.0
119.04903	1.7
120.10213	0.9
125.05968	31.7
137.05940	1.4
141.05443	1.6
147.04362	1.7
149.05978	1.8
151.03880	90.5
151.04945	4.0
151.07513	2.7
152.04132	1.5
154.07117	0.9
177.05399	1.1
179.07001	27.6
180.07204	1.1
197.08052	100.0
198.08385	2.7
359.12796	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1329
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
61.91475	1.6
69.03397	2.2
71.05617	3.7
73.02906	24.7
73.40245	1.8
85.02881	8.1
119.04915	1.9
122.18244	1.9
125.05975	23.5
125.42453	1.6
131.04878	3.7
145.04939	2.2
149.05949	3.0
151.03886	83.3
151.04984	4.3
151.07402	3.3
152.04243	2.3
163.07549	1.8
177.05460	3.9
179.06990	26.4
197.08060	100.0
198.08394	3.9
281.13544	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1329
Annotation	202-791
Peak:m/z	Relative Intensity
51.41217	0.4
62.52393	0.4
67.05479	0.7
67.47011	0.4
71.42406	1.0
78.04723	0.8
81.03365	0.6
85.02884	1.2
85.97292	0.4
89.03892	5.9
91.05422	0.5
93.07010	0.9
95.08577	0.6
99.51891	0.5
105.06997	0.7
107.08614	0.8
108.17873	0.4
117.03358	19.3
118.03720	0.4
121.10101	0.8
123.04373	1.3
126.48653	0.5
131.04924	0.6
134.03574	1.9
135.04369	1.0
135.08037	1.0
139.63051	0.5
142.71310	0.4
145.02824	48.7
146.03145	1.1
147.04373	0.9
149.05951	7.8
150.06279	0.6
163.07489	0.9
167.07059	0.6
177.05438	100.0
178.05846	2.8
179.10663	0.6
179.14311	0.5
186.05466	0.6
191.06984	2.1
193.52071	0.4
195.06570	0.9
197.15398	0.6
198.99568	0.4
208.09605	4.1
230.90311	0.4
275.02988	0.5
359.16739	3.1
360.14499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01849	1.2
55.05492	0.7
57.03411	1.3
60.83923	0.4
61.02901	1.8
67.05495	2.1
69.03416	4.3
69.07027	0.5
69.91174	1.4
69.91588	0.8
70.06577	2.6
71.04976	0.8
71.72769	0.5
73.02905	3.6
73.06540	35.9
79.05469	0.9
81.03388	1.9
81.07027	0.5
83.04951	2.2
84.04500	0.5
85.02890	13.6
86.06043	0.9
86.09684	1.7
87.04472	1.4
89.03899	0.6
89.06017	26.3
91.03944	0.9
91.05475	0.8
91.07583	2.3
93.07013	0.6
95.04942	0.9
95.08575	0.5
97.02869	4.3
97.06493	0.7
99.04435	1.6
101.05994	1.9
103.03938	0.6
105.03356	0.5
105.07003	0.6
106.02844	0.5
107.04937	0.6
107.07076	0.7
107.08575	1.3
109.02870	2.0
109.06533	0.5
111.04375	0.4
112.07558	0.4
113.05992	7.6
115.07534	0.5
116.07056	1.2
117.03388	1.2
117.09110	33.4
118.09376	0.5
123.04426	0.7
123.08083	0.6
124.03930	0.9
125.05952	3.1
127.03870	2.7
131.04910	0.5
131.08530	0.4
132.06537	1.3
133.06445	0.9
133.08574	13.5
135.08031	0.9
135.10165	0.8
137.02351	1.0
137.05957	4.7
138.06294	2.2
139.03839	0.6
140.04608	0.7
145.02808	2.2
145.04938	1.9
147.04369	0.7
149.05894	0.9
151.03871	7.8
151.07544	0.9
155.07008	1.2
161.05949	1.1
162.07607	0.6
163.03883	1.5
163.07487	0.8
165.05450	0.5
165.09145	0.6
167.06982	1.9
168.07361	1.4
175.07544	0.5
177.05434	6.3
178.08502	0.5
179.03389	1.2
179.07010	2.5
179.12752	100.0
180.13039	2.1
181.04913	0.4
187.07469	1.0
190.08598	2.7
191.06895	0.6
193.58452	0.5
196.09618	1.2
196.13354	0.5
197.08061	9.0
199.10742	1.4
207.10048	0.4
229.10750	0.5
269.39651	0.5
295.53046	0.5
323.11334	0.4
358.16357	2.3
359.12637	1.7
359.16840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
55.05490	1.0
55.51162	0.5
57.03420	1.2
59.04995	0.5
61.02904	1.8
62.32937	0.5
65.03937	0.5
67.05510	1.2
69.03423	3.9
69.07047	0.7
70.06577	2.6
71.04969	0.6
71.61649	0.5
71.62032	0.8
73.02911	4.1
73.06545	32.0
79.05476	0.8
81.03401	2.3
83.04943	1.8
84.08117	0.9
85.02890	13.6
85.06511	0.9
86.06051	0.9
86.09669	2.0
87.04450	0.9
89.06020	27.1
91.05460	1.2
91.07578	2.5
95.04974	0.9
97.02888	4.5
99.04432	0.9
99.08034	0.5
101.05994	1.5
103.03912	1.0
105.07002	0.9
107.04895	1.2
107.08539	1.2
109.02835	1.3
111.04438	0.7
113.05984	5.4
115.05480	0.6
115.07578	0.7
116.07067	1.0
117.03368	1.1
117.09116	30.2
119.04931	0.8
121.06483	0.9
123.04398	0.9
124.03894	0.5
125.06002	4.0
127.03915	2.5
132.06520	1.3
133.06462	0.7
133.08588	12.0
135.08075	1.1
137.05962	3.6
138.06290	2.7
145.02852	3.4
145.04942	1.7
147.04338	1.0
149.05956	1.5
151.03894	10.6
151.05070	1.1
151.07503	0.8
155.06992	0.9
161.05945	0.7
162.06313	0.7
163.03899	1.6
163.07555	0.9
165.05545	0.6
167.07001	3.0
168.07341	1.5
177.05470	6.2
178.08527	0.6
179.07047	3.0
179.12759	100.0
180.13132	1.8
187.07465	0.5
190.08563	2.8
192.07178	0.5
193.08562	0.8
194.08865	0.7
196.06137	0.7
196.07909	0.6
196.09686	1.2
197.08081	13.4
199.10742	1.1
205.12302	0.8
209.07967	0.5
253.08737	0.8
358.16336	3.0
359.12689	1.3
359.16968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	2.1
54.38657	1.4
55.01852	3.4
55.05500	47.0
57.03414	2.8
57.07060	1.8
67.05495	13.8
69.03423	8.9
69.07054	24.9
69.07407	3.1
69.61160	13.6
71.04986	2.7
79.05457	7.1
81.03388	5.0
81.07037	39.1
83.04969	4.2
83.08604	3.6
85.02881	3.4
85.06511	7.9
89.24347	1.7
91.05449	9.1
92.07709	1.5
93.07032	13.7
95.04960	3.7
95.08591	40.8
97.06499	6.6
97.10152	100.0
98.10477	2.1
99.08057	3.7
101.05988	2.6
105.07002	14.6
107.08554	14.8
109.06499	3.3
109.10133	17.6
111.04414	5.0
111.08060	3.6
111.11668	1.8
113.09588	2.0
117.06968	2.7
119.04929	2.0
119.08533	11.8
121.02870	3.0
121.06459	2.1
121.10153	13.3
123.04392	10.1
123.11678	13.4
125.09609	23.2
129.05435	2.3
131.08517	2.8
131.44969	1.9
133.10097	8.1
135.10767	1.7
135.11647	8.0
137.05945	14.6
137.09576	3.5
139.11137	6.3
141.09088	1.6
141.47774	1.7
143.04840	1.9
143.10643	44.4
145.02820	6.2
145.06476	2.0
145.10078	4.1
147.04366	8.8
147.11673	11.5
149.13210	6.8
151.03865	5.6
151.07491	2.7
151.14821	8.0
157.10057	3.5
157.12193	2.8
159.10410	1.9
159.11571	3.7
161.05972	4.8
161.09662	3.0
161.13226	6.0
163.03813	2.6
163.07521	5.7
165.05411	4.9
165.08977	2.5
165.12694	5.5
167.07018	4.2
171.10133	4.1
171.11586	2.2
173.13202	3.8
175.14803	1.9
177.05449	13.1
177.08984	2.6
177.12755	2.8
179.14212	2.8
187.14767	2.1
189.11188	15.0
190.08470	2.3
193.12352	1.8
195.07982	2.2
195.13774	2.0
203.06906	3.7
205.08572	20.5
209.11632	2.0
211.07422	2.2
217.15822	1.7
219.07956	2.1
221.09534	2.0
225.09169	2.1
235.07471	1.8
236.08264	1.7
251.10628	1.9
253.08458	3.6
279.09933	2.3
285.21906	2.3
297.11108	6.1
303.23105	10.8
307.09445	2.4
309.24249	2.3
313.10654	3.7
314.11417	2.0
321.24127	29.5
325.10645	4.9
326.11111	2.5
327.12100	5.9
329.13742	3.8
339.25290	19.0
357.09549	2.9
357.13232	22.1
357.18164	3.9
357.24060	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01855	2.6
55.05503	42.5
57.03428	2.4
57.07062	2.8
65.03953	1.2
67.05502	11.3
69.03420	8.8
69.07063	22.1
69.38700	11.7
71.04983	3.9
76.02216	3.4
76.59519	1.1
79.05479	6.4
81.03401	4.8
81.07043	33.5
83.04953	4.1
83.08591	5.8
84.49280	1.1
85.02902	2.6
85.06541	4.7
91.05452	11.4
93.07025	15.1
95.04966	4.4
95.08593	38.7
97.02884	1.9
97.06532	5.8
97.10154	100.0
98.10442	1.0
99.04433	1.6
99.08076	3.5
101.06004	2.2
103.05463	1.1
105.07014	12.4
107.04912	1.5
107.08571	13.7
109.02888	2.7
109.06483	6.1
109.10143	16.9
111.04404	3.3
111.08070	4.6
111.11675	1.4
113.09649	1.0
117.03369	1.7
117.06990	2.6
119.04934	4.7
119.08564	10.9
119.17524	1.0
120.13940	1.0
121.02872	2.0
121.06478	2.8
121.10139	8.9
123.04417	11.2
123.08037	1.2
123.11685	12.0
125.09612	18.7
127.03927	1.8
129.05493	2.1
131.04877	1.8
131.08582	2.8
133.10110	7.7
135.04370	2.2
135.08060	2.5
135.11646	6.5
137.05952	13.5
137.09572	3.7
137.13197	1.6
139.03862	1.5
139.11157	5.9
143.10655	43.2
143.11803	2.4
144.11049	1.8
145.02811	4.9
145.10060	6.5
147.04373	7.0
147.08015	1.6
147.11639	5.8
149.09593	2.4
149.13232	4.8
151.03865	4.8
151.11130	3.7
151.14793	5.2
153.05428	2.2
155.08539	1.4
157.10199	1.7
157.12260	3.6
159.11661	4.1
161.05980	4.6
161.09538	1.4
161.13213	3.1
163.03903	4.1
163.07484	5.6
163.11147	2.2
165.05463	4.8
165.06911	1.2
165.09151	2.1
165.12718	3.7
167.07079	2.4
169.10081	1.3
171.10165	3.8
173.13234	2.8
175.07568	3.0
175.11176	1.7
175.14752	1.8
177.05460	12.3
177.09062	2.2
177.12643	1.7
177.16325	1.4
178.05797	1.4
179.04866	2.9
179.08604	1.2
179.10680	1.9
179.14215	2.0
183.13725	1.3
187.07535	1.7
189.09448	1.7
189.11208	13.1
189.12758	2.2
193.08546	1.6
194.07138	1.4
195.08118	1.6
195.10176	1.8
195.13777	1.2
203.06895	2.6
205.06697	1.5
205.08540	16.9
207.08058	1.6
219.07962	2.7
225.09109	1.7
226.10025	1.4
235.07358	1.7
236.08264	1.2
247.07526	3.1
253.08517	3.1
263.06900	1.3
270.08844	1.4
275.23651	1.3
277.21378	2.6
279.10190	2.0
285.21942	1.9
291.23083	1.7
293.08264	1.5
295.09729	1.9
295.22467	1.5
296.10303	1.9
297.11295	5.6
298.11658	1.4
303.23105	9.7
307.09631	2.7
309.11124	2.5
309.24161	3.2
313.10715	3.2
314.11450	1.4
321.24167	27.7
322.24344	1.6
325.10507	5.6
327.11987	5.9
329.13855	4.3
339.12073	4.5
339.25238	16.7
357.08911	1.3
357.13251	21.7
357.18723	3.6
357.27783	2.7
358.13376	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.8
55.01845	1.0
57.03420	2.0
60.04487	0.6
60.06089	0.4
61.02918	3.9
62.06073	0.5
66.90906	0.4
67.05469	0.6
69.03418	7.6
69.57919	3.3
70.06554	1.6
71.03449	0.4
71.04956	1.6
72.08113	0.7
73.02877	1.4
77.00877	0.5
81.03412	2.6
83.04928	0.5
84.04480	0.6
84.08100	1.7
85.02891	12.6
86.03182	1.0
86.06035	0.6
86.09656	1.6
87.04414	1.3
87.10005	0.9
91.03905	1.0
91.05451	1.0
94.06531	0.9
95.53497	0.5
97.02280	0.6
97.02865	6.5
98.97552	0.5
99.04420	1.6
101.00835	1.3
105.06991	0.6
108.04200	0.5
108.08067	1.3
109.02830	1.4
110.06007	0.4
110.07127	0.9
111.04499	0.5
111.07435	0.4
113.00812	0.5
115.02394	0.6
115.03902	0.5
117.02066	0.4
117.05739	0.8
118.08603	0.4
119.01908	3.7
119.04896	0.4
120.08086	0.4
121.01629	1.1
121.06483	0.7
122.05976	0.6
123.06776	1.1
124.07551	0.7
127.03246	0.3
127.03902	3.4
129.03899	0.5
130.08585	0.5
131.01868	1.9
132.08054	2.3
132.10138	1.1
133.03416	1.9
133.05086	0.6
133.10509	0.9
134.05975	3.6
135.04364	0.5
135.06602	0.5
136.06129	1.0
136.07527	4.7
137.02931	0.5
137.08292	1.2
138.05487	4.8
143.01848	1.6
145.03430	2.2
145.04958	2.4
146.04976	0.8
147.03224	0.5
147.04956	1.4
147.06749	1.5
148.07549	8.6
150.05508	4.0
150.09131	3.2
152.07031	13.3
153.07811	10.5
153.09048	0.6
153.55862	0.6
154.05727	0.7
155.01822	1.6
156.06261	1.0
156.56331	1.3
157.03477	2.9
157.06186	1.3
158.03520	0.7
159.03185	0.8
159.04988	1.0
160.07567	9.5
161.02945	1.9
162.05429	2.5
163.02609	0.7
163.03885	0.5
163.06236	1.0
164.07039	11.4
165.06194	0.5
165.07817	2.7
166.08595	6.1
171.01361	1.6
171.05029	1.1
171.06706	0.5
173.02928	1.2
174.03671	0.5
174.05519	0.5
175.04512	1.6
176.07045	6.6
177.00902	0.6
177.04105	0.7
177.06021	0.6
177.07458	0.7
177.10208	0.7
178.08595	18.0
180.06517	18.0
181.09624	0.7
182.07942	0.6
183.04964	0.7
184.05792	0.9
184.07336	0.5
184.55980	0.8
185.06145	0.6
187.04396	0.8
188.07150	0.5
189.06052	1.1
190.04935	0.7
190.08623	1.1
191.05704	0.8
192.06523	12.0
193.07274	1.6
194.08101	38.9
195.08403	1.5
195.11235	0.9
196.09656	19.8
202.04851	0.9
202.08595	0.7
203.04057	0.5
204.06520	5.5
205.09760	0.6
206.08044	0.8
208.06029	4.7
209.06743	0.6
210.07591	0.9
211.04619	0.7
212.09206	1.2
215.07724	0.8
218.08104	1.5
219.01917	0.6
219.05247	0.9
219.07098	1.3
220.05974	4.6
221.04977	1.6
221.06799	3.8
221.09190	3.0
222.07567	37.3
223.06506	1.5
223.08287	0.8
224.06747	0.8
225.06409	0.7
229.09596	0.6
231.07227	1.7
232.05966	2.6
233.09143	0.6
234.07661	0.6
236.05408	0.6
236.09030	0.9
237.02545	0.7
237.08784	1.1
237.59016	2.3
238.09012	2.1
240.08623	7.7
241.07658	0.7
242.07852	0.7
243.07436	0.9
244.59698	1.3
245.05031	1.5
245.09697	1.0
246.07626	1.9
248.09129	0.5
249.08620	0.6
249.57256	0.8
250.07060	55.8
251.07442	2.5
252.09392	0.8
254.10153	0.6
257.08917	1.3
258.07602	0.9
259.06583	2.4
261.08661	0.7
264.08633	2.2
265.07816	1.2
266.08353	0.5
267.09732	1.9
268.08145	5.5
269.53186	0.5
274.06964	3.5
275.10168	1.2
276.06024	0.5
276.09015	0.5
277.07727	0.8
279.09518	0.8
282.09671	5.4
289.02591	0.5
292.08118	4.0
292.16882	0.5
294.09818	0.8
297.04504	1.6
297.10852	5.3
300.10696	3.3
303.09717	3.5
305.10831	0.5
310.09140	34.3
311.09448	1.4
312.20352	0.6
313.11218	0.7
319.08582	0.5
321.10388	8.4
322.10107	0.6
328.10205	22.7
329.10480	1.0
333.01404	0.6
335.08105	1.2
339.11810	48.6
340.12244	1.9
357.12854	100.0
358.08948	5.2
358.14819	20.8
369.10568	1.0
370.11301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2837
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
51.11202	1.2
53.03923	1.5
55.01846	1.2
55.05254	1.7
55.05503	25.2
57.03413	4.9
57.07071	7.8
65.03910	2.0
66.21749	1.1
67.05495	57.1
68.05840	2.4
69.07058	29.7
70.06581	9.6
70.07375	2.6
71.04972	2.6
71.06911	2.6
71.08603	3.4
71.46487	1.0
73.04737	1.2
79.05482	16.2
81.07047	69.8
82.07379	2.7
83.04959	3.8
83.08609	21.5
85.06532	3.6
85.10181	2.2
86.03902	1.1
88.07608	10.7
89.07926	2.2
91.05430	12.0
93.07029	23.1
94.35983	1.2
95.04939	2.8
95.08594	63.9
96.08915	1.9
97.06506	6.4
97.10155	13.6
98.21530	2.1
99.04370	1.4
99.08090	2.5
102.09160	3.1
105.07023	15.3
106.08669	6.1
107.08561	18.3
109.06541	2.2
109.10146	34.3
110.10425	1.4
111.08049	5.2
111.11700	4.2
113.48881	1.1
116.97160	1.7
117.06989	1.5
119.08569	15.5
121.10131	25.3
123.11695	16.5
125.09599	2.2
125.13237	2.2
131.08530	3.6
133.10123	18.4
135.11670	12.3
137.09630	2.6
137.13246	7.9
139.11104	1.7
139.98779	2.2
141.12746	2.1
143.08568	1.8
145.10170	6.0
147.11652	9.1
149.13245	10.7
151.11145	1.8
151.14761	4.1
153.12679	1.6
155.14287	1.8
157.10072	2.0
159.11681	4.3
161.13242	11.6
163.03859	2.2
163.14787	10.7
165.12729	2.3
165.16357	3.7
166.22719	1.1
167.14336	1.3
171.11678	2.0
173.13159	1.6
175.14822	7.4
177.16353	4.9
179.17906	4.0
184.07332	3.0
185.13261	1.4
187.11060	1.2
187.14822	1.9
189.16370	5.1
193.04988	1.3
193.15865	1.8
199.14761	1.1
201.16302	1.4
203.17940	2.5
206.65521	1.2
207.46634	1.3
213.16379	1.8
245.22621	30.1
246.22993	1.6
263.23676	38.2
301.24432	1.2
309.25787	3.6
337.27313	24.0
337.32837	4.1
355.22308	2.5
355.26535	7.5
355.28857	9.9
355.33908	100.0
356.33847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1018
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
55.08464	0.3
62.92725	0.3
63.02368	0.5
69.03429	0.6
69.13882	0.3
70.19448	1.3
71.04987	0.5
79.05473	1.5
80.08889	0.3
83.04974	0.6
85.02885	0.5
89.03906	6.1
89.04409	0.7
95.04929	0.4
97.02939	0.4
105.03368	1.4
107.04942	1.9
111.04455	0.5
117.03366	8.2
120.22195	0.3
121.02851	7.6
122.05999	0.8
124.79919	0.3
133.02777	1.6
135.04405	17.2
137.05917	0.5
142.44464	0.4
145.02832	11.2
150.05502	0.8
162.05508	0.5
163.03885	100.0
164.04207	2.1
174.05476	0.9
175.05821	1.2
177.05489	0.4
178.02638	0.6
179.06915	0.5
181.04895	2.2
190.04982	0.5
191.05290	0.8
192.06494	0.7
193.04951	8.7
193.06711	0.6
193.08533	0.6
201.05444	0.9
217.05019	0.4
217.06943	0.5
337.09259	0.5
355.11996	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.9
55.01849	3.7
55.05497	17.0
55.07985	3.1
56.33410	3.1
57.03419	4.0
57.07058	6.9
65.03911	5.0
67.05494	50.5
69.03420	25.4
69.07062	25.4
69.50878	10.2
69.51308	16.3
71.04975	46.5
71.10365	2.7
73.04755	3.5
79.05478	21.0
81.03421	15.5
81.07039	58.5
83.04967	7.8
83.08611	6.8
85.02888	6.5
85.06502	9.3
91.05386	23.6
93.07027	38.3
95.04949	43.3
95.08592	40.1
97.02867	5.0
97.06508	13.4
97.10137	10.9
98.21443	6.0
99.04449	6.6
99.08116	8.2
101.02331	3.4
105.03369	13.9
105.07004	43.8
107.04932	6.2
107.08583	47.2
109.02892	8.9
109.06486	16.6
109.10143	75.7
111.04383	4.5
111.08077	8.6
117.07024	7.1
119.07757	5.1
119.08552	45.1
121.02877	5.2
121.06477	11.7
121.10129	38.8
123.04398	6.5
123.08025	14.5
123.11658	17.3
125.09586	18.5
127.03870	6.7
127.11173	98.6
129.06941	6.0
131.08530	14.6
133.06490	6.6
133.10103	34.2
135.04372	4.3
135.08031	6.3
135.11650	11.9
137.05937	4.8
137.09604	13.8
137.13181	4.8
139.11101	7.6
143.08528	8.8
145.02870	4.7
145.06442	4.7
145.10080	26.9
147.04391	5.6
147.08034	5.7
147.11661	67.8
149.06006	3.8
149.09567	10.4
149.13214	8.9
151.03894	4.5
151.11172	19.4
153.12669	3.2
155.05978	4.6
155.08604	3.6
155.10638	100.0
157.10127	11.2
159.07971	3.9
159.11674	15.9
161.09573	9.0
161.13251	8.6
163.03851	14.0
163.11165	9.0
163.14899	3.3
165.09042	8.2
165.12735	8.9
169.10086	3.7
171.11674	9.7
173.09575	5.3
173.13213	18.1
175.11142	8.4
175.14784	9.4
177.05424	12.4
179.10703	3.7
183.05496	16.9
185.13211	5.8
187.14818	15.1
189.12776	4.6
189.16368	5.2
191.14301	10.4
193.12187	6.0
197.13206	9.9
199.14894	4.0
201.05484	4.5
201.16287	5.3
203.14253	3.7
205.15985	4.3
209.15359	13.9
211.14935	4.8
213.16357	6.2
215.14304	17.8
221.15291	4.8
229.06050	59.5
229.14212	5.8
231.05920	3.1
231.17447	4.2
233.15317	23.1
251.16397	4.9
257.05597	28.4
259.20462	4.0
271.09695	3.0
273.22073	8.3
283.20462	8.9
285.00851	4.6
301.21582	52.7
310.11819	26.8
319.22610	35.7
319.25998	6.0
337.10623	3.1
337.24020	15.1
337.27466	7.3
355.07343	6.1
355.11627	21.3
355.15259	4.8
355.22589	7.5
355.26288	9.0
356.12198	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	355.1017
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
69.71445	1.3
69.71867	0.6
79.05466	1.1
83.04964	0.6
87.09972	0.2
88.01331	0.2
89.03899	4.6
95.04967	0.3
104.05787	0.2
107.04942	1.5
111.04437	0.4
117.03363	7.4
135.04396	16.0
136.04723	0.3
145.02834	11.8
146.03188	0.4
163.03880	100.0
164.04172	2.2
181.04872	0.5
219.53557	0.3
355.12250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1178
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03931	0.6
55.01857	0.3
55.05499	0.4
57.03414	0.8
60.14894	0.2
61.02900	0.5
65.03928	0.2
65.65759	0.3
66.31583	0.2
67.05475	0.8
69.03419	1.6
69.07042	0.9
69.88950	0.9
69.89367	0.4
70.06554	0.2
71.04960	1.0
71.39632	0.3
73.02886	0.8
81.03387	0.8
85.02430	0.3
85.02890	3.1
87.04437	0.6
89.03896	0.4
91.05466	1.6
94.06561	3.4
95.04935	0.7
97.02889	1.1
97.06495	0.3
105.03349	0.4
109.02855	0.5
111.08064	0.3
115.07561	1.4
115.29137	0.3
117.03373	0.5
117.05724	0.6
118.06526	5.6
119.04929	0.4
119.08428	0.2
121.02836	0.6
122.06027	4.4
127.03913	1.1
129.09062	0.6
131.03671	0.3
131.06998	0.3
134.05959	0.7
135.04395	1.7
136.07541	0.4
139.07516	0.5
139.11122	0.3
145.02826	0.7
145.05040	0.6
146.05989	16.7
147.06693	0.5
149.06004	0.3
150.05486	0.9
157.08592	1.8
157.12251	0.3
162.05463	1.6
163.03885	9.0
164.07043	5.7
174.05482	100.0
175.05872	2.4
175.09624	1.1
176.07048	0.8
177.05467	0.4
186.07390	0.3
190.04993	1.2
192.06528	47.3
193.04967	0.8
193.06860	1.4
202.14127	0.2
257.35617	0.2
336.10703	1.2
354.11786	55.8
355.12033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.93365	0.9
55.05505	15.5
57.03434	7.1
57.07074	5.2
65.03920	3.0
67.05492	86.5
68.05835	2.3
69.06706	1.6
69.07053	16.4
71.04977	4.1
71.08617	3.1
71.63065	1.8
74.28047	0.9
75.04491	1.2
75.68272	1.0
79.05480	38.1
81.07043	100.0
82.07373	2.2
83.04984	1.6
83.08599	8.7
85.06525	2.6
85.10185	2.3
89.06020	1.4
91.05469	19.9
93.07026	52.6
94.07394	1.4
95.04960	3.9
95.08591	73.6
96.08916	1.4
97.06510	3.8
97.10152	3.8
99.08080	2.1
105.07014	20.1
107.07846	2.2
107.08574	32.2
109.06519	1.2
109.10138	40.0
110.10439	1.9
111.08047	2.8
111.11717	1.1
117.07011	8.6
119.08566	13.4
121.06503	3.7
121.10122	30.1
123.08086	2.0
123.11677	20.0
125.09573	2.0
129.06937	1.0
131.08549	20.0
133.10109	11.8
135.11667	24.3
137.09573	1.6
137.13214	7.9
143.08563	1.1
145.10114	13.6
147.11665	9.0
147.13522	0.9
149.13231	18.7
151.11128	1.6
151.14801	2.6
151.16084	1.0
153.12639	1.6
156.11487	0.9
159.11673	12.7
161.13245	8.4
163.11125	1.6
163.14786	11.2
165.09074	1.0
165.12697	1.8
167.14331	1.0
171.11673	1.4
173.13232	14.2
175.14796	2.6
177.12691	1.0
177.16423	4.6
179.14268	1.1
187.14804	8.2
191.14249	1.5
193.04907	1.5
201.16386	3.6
215.18010	1.7
227.12717	1.6
233.22597	3.2
243.21046	21.8
244.21408	1.6
261.22104	80.5
262.22394	6.1
263.23489	1.4
279.23126	6.2
282.79822	1.1
299.60226	1.1
317.24677	1.3
335.25723	14.6
335.29260	1.2
336.26120	1.8
353.26776	26.9
353.30716	1.7
354.27283	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2677
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.52405	1.3
53.03923	2.6
55.05501	14.3
55.24590	1.2
56.92703	1.4
57.03408	3.9
57.07057	6.9
63.79405	1.3
65.03904	3.9
65.85707	1.2
66.33717	1.2
67.03075	1.4
67.05489	94.1
68.05817	1.7
69.06712	1.6
69.07053	18.7
71.04955	4.5
71.08598	5.0
75.04446	2.0
79.05476	50.1
79.53796	1.4
80.05841	1.5
81.07040	100.0
82.07338	1.6
83.04985	1.7
83.08598	10.6
85.06535	3.2
89.06019	1.4
90.09230	1.3
90.85999	1.5
91.05460	25.5
92.05771	1.5
93.07026	69.7
95.04929	2.6
95.08585	86.3
96.08894	1.9
97.06487	4.8
97.10143	6.5
98.20677	2.5
99.08101	3.4
105.04527	1.6
105.07009	22.4
106.07288	1.7
107.08572	46.9
108.08867	1.5
109.06492	2.3
109.10129	47.0
111.08022	1.6
111.11657	1.5
113.09614	1.7
117.06989	10.9
119.08566	17.9
121.06408	2.1
121.10116	41.9
122.10429	2.7
123.08105	1.6
123.11684	26.4
124.12055	1.3
125.09560	2.1
131.08536	28.8
133.10112	18.4
135.11656	32.1
137.09555	2.7
137.13225	10.7
139.11166	2.1
145.10091	19.0
147.11667	14.5
149.13223	19.6
151.14783	3.7
159.11667	18.3
161.13223	13.1
163.14798	15.8
165.12706	1.7
173.13242	20.1
175.14764	5.4
177.12646	1.8
177.16342	5.8
179.14279	2.7
185.13121	2.0
187.14789	12.0
191.14238	1.9
201.16280	2.7
205.15880	1.6
211.14688	1.3
215.18153	1.5
233.22562	4.6
243.21033	26.6
244.21405	2.1
261.22079	94.4
262.22363	5.7
279.23117	4.8
325.14362	1.4
335.25745	8.9
353.26825	35.9
354.27109	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.4
55.05502	11.6
57.03424	4.8
57.07050	3.7
58.25894	0.9
61.02908	1.2
65.03918	2.3
67.05492	73.0
69.07053	11.4
71.04960	2.6
71.08602	1.0
75.04465	1.0
77.03935	0.9
79.05479	40.5
81.07042	89.6
82.07372	1.1
83.04958	1.2
83.08601	7.5
83.24894	1.1
85.06503	2.1
91.05464	18.4
93.07026	53.2
94.07349	2.0
95.04943	2.9
95.08589	62.5
96.08949	1.4
97.06502	3.8
97.10142	2.4
99.08067	3.0
105.07014	15.9
107.08577	39.6
108.08913	1.2
109.06513	0.9
109.10139	34.0
109.28236	0.9
110.10457	1.8
111.08037	1.2
113.09580	1.0
113.96021	0.9
113.99697	0.8
117.06990	8.7
119.07773	1.6
119.08556	15.2
121.10123	32.1
122.10478	1.0
123.08076	1.2
123.11687	18.1
124.12004	1.1
125.09649	1.4
129.07013	1.3
130.07843	1.0
131.08534	20.8
133.10107	13.5
135.08047	1.3
135.11671	28.2
135.12703	2.0
136.12070	1.0
137.09586	1.8
137.13243	7.1
139.11220	1.3
143.08571	0.8
145.10091	14.8
146.10410	1.3
147.11647	11.8
147.12637	1.3
149.13226	20.6
150.13565	1.2
150.96243	1.0
151.11183	1.6
151.14792	2.1
159.11671	12.4
161.13234	11.1
163.11140	1.4
163.14806	14.3
165.12817	1.4
173.13231	16.0
175.14818	4.3
177.12769	1.1
177.16359	4.6
179.14282	2.5
187.14778	10.3
191.14354	2.0
201.16383	3.6
205.16017	1.5
215.17836	1.5
219.17505	1.2
219.97118	0.8
221.87370	0.8
233.22705	3.5
243.21042	29.5
244.21468	2.0
261.22104	100.0
262.22394	7.0
279.23126	3.8
281.10596	4.1
299.11578	2.1
317.24484	1.3
335.25760	10.1
336.26334	1.0
353.26840	32.3
354.27197	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	353.2679
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.81211	1.5
53.03941	2.5
55.05498	11.2
57.03418	7.1
57.07054	4.3
58.55396	1.7
67.05495	86.9
69.07059	11.8
71.04987	2.1
71.22727	1.4
71.30244	1.5
79.05486	33.5
81.07048	91.9
83.08611	7.8
83.30206	1.5
91.05460	17.9
93.07030	51.9
95.08592	69.1
96.08889	1.8
97.06516	2.4
97.10143	3.0
99.08087	2.4
105.07013	14.0
107.08582	33.9
109.06462	1.7
109.10145	42.9
109.10899	2.6
110.10415	2.5
111.08074	2.0
113.09650	1.5
117.07014	8.9
119.08566	13.6
121.10117	30.2
123.11691	23.4
131.08554	18.1
133.10124	11.9
133.14569	1.5
135.11679	25.8
137.09619	2.0
137.13235	9.2
139.11105	1.9
145.10124	15.3
147.11702	8.9
149.13246	19.5
151.14780	3.3
153.12654	2.0
159.11684	14.5
161.13237	9.8
163.14792	13.3
165.12833	2.1
173.13254	13.9
175.14806	2.4
177.12721	1.8
177.16379	5.8
179.14333	3.1
187.14825	9.0
201.16360	2.4
207.18829	1.8
215.17955	1.8
233.22624	4.9
243.21045	24.7
261.22107	100.0
262.22418	6.6
263.23700	2.3
279.23190	6.5
332.68408	1.5
335.25800	18.9
353.26804	37.8
354.27216	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2677
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.59288	0.6
53.03939	2.1
55.01839	0.7
55.05251	1.2
55.05498	11.7
57.03423	6.9
57.07072	4.4
59.04977	0.9
65.03925	2.9
66.08304	0.7
67.05490	87.5
68.05827	2.4
69.07050	13.5
71.04961	1.4
71.08604	1.0
75.04441	1.5
79.05475	38.1
81.07036	95.9
82.07372	2.2
82.81755	0.6
83.04977	1.4
83.08610	8.6
85.06531	2.5
89.45672	0.7
91.05453	20.2
91.43195	0.6
93.07022	52.2
94.07361	1.5
95.04944	2.4
95.08584	70.8
96.08873	1.2
97.06496	3.8
97.10150	3.9
98.21500	1.9
99.08057	2.0
105.07006	17.1
105.07660	1.5
107.08574	34.3
109.06511	1.1
109.10132	40.9
110.10426	1.1
111.08055	1.9
113.09632	2.6
117.06988	8.8
119.08553	14.3
121.10118	30.4
122.10426	1.1
123.08070	1.3
123.11677	21.7
125.09601	1.1
131.08539	20.5
132.08839	0.8
133.10106	13.9
135.11667	24.4
136.11971	1.1
137.09610	1.3
137.13235	8.9
139.11169	2.0
143.08606	1.0
145.10094	14.1
147.11646	10.5
149.09622	1.0
149.13228	21.3
150.13632	0.7
151.11194	1.0
151.14796	2.6
153.12741	1.6
159.11658	12.3
161.13216	11.0
163.11115	1.1
163.14774	13.2
165.12686	1.9
173.13232	16.2
173.14665	1.2
174.13623	1.0
175.14873	3.5
177.12788	1.7
177.16344	5.1
179.14359	1.0
187.14764	10.3
189.16423	1.5
191.14180	1.7
201.16333	3.9
205.15929	1.0
209.15413	0.8
215.17937	1.6
219.17397	0.8
233.22658	3.8
243.21031	26.6
244.21368	1.8
261.22083	100.0
262.22382	7.4
263.23553	0.8
279.23083	5.8
289.42340	0.7
317.24756	1.3
335.25708	15.9
336.26080	1.5
353.26840	37.7
354.27145	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13219	2.4
52.46442	2.5
53.03938	7.0
53.12426	2.8
53.31662	3.0
55.01857	9.6
55.05496	22.2
56.92266	2.9
57.03432	17.7
57.07063	13.8
59.04983	7.0
61.02910	3.9
67.05494	30.1
69.03421	70.8
69.07052	28.2
70.06567	4.1
71.01342	4.6
71.04978	11.3
71.61986	3.0
71.62314	4.1
73.02897	8.4
79.05491	24.5
81.03403	16.8
81.07042	70.0
83.04973	25.5
83.08598	19.0
85.02895	35.7
85.06521	12.3
87.04451	6.1
91.05461	19.7
93.07033	42.3
95.04953	56.2
95.08028	5.8
95.08594	64.6
97.02871	24.7
97.06485	14.9
99.04430	23.2
103.03915	4.8
103.05444	4.0
105.07016	36.6
107.04941	4.6
107.07858	3.8
107.08579	74.1
107.11797	3.4
109.02872	7.1
109.06495	27.2
109.10129	41.8
111.04421	14.8
111.08070	25.3
113.06038	3.9
113.09620	6.2
115.03941	9.5
115.05420	5.4
115.65549	3.3
116.06186	2.7
117.07009	7.0
119.08569	36.5
120.08092	7.6
121.06498	13.7
121.10124	69.6
121.11004	3.4
123.04429	3.2
123.08054	31.4
123.11691	74.0
125.05988	6.3
125.09629	10.4
127.03915	16.5
127.07523	5.9
128.06201	2.9
129.05453	4.5
131.08559	42.3
133.06456	6.8
133.10118	29.1
135.08040	23.4
135.11676	37.1
137.05939	11.4
137.09572	17.0
137.13217	10.6
139.07541	5.0
139.11183	4.0
143.08542	7.3
145.04921	4.3
145.06421	3.9
145.10109	17.5
147.08025	10.7
147.11636	18.7
149.09590	13.1
149.13225	47.6
151.07507	8.5
151.11169	6.2
153.09081	21.3
155.07042	8.9
155.08539	3.8
155.10695	6.1
157.10158	5.1
159.09158	9.4
159.11624	9.5
161.09599	9.2
161.13235	11.2
163.06059	3.2
163.07526	7.7
163.11142	7.7
163.14810	20.6
165.12744	5.1
167.07016	3.0
167.14264	7.0
171.10139	9.8
171.11673	6.5
173.09544	6.8
173.13231	42.9
175.11182	6.4
175.14818	12.2
177.12758	4.0
179.14290	20.9
181.08652	4.1
181.12248	5.4
189.12753	8.5
191.07065	7.2
191.10606	7.7
191.14238	42.1
195.10114	5.1
201.10248	23.1
203.14238	6.6
207.13936	4.8
209.11774	5.0
209.15329	40.6
215.14310	4.0
219.11398	4.7
221.15366	6.5
233.15274	9.7
263.16431	3.5
275.16489	6.4
317.17361	12.9
335.18463	13.6
353.20163	100.0
370.85184	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2679
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03930	2.1
55.01859	1.3
55.05498	11.3
57.03420	3.6
57.07063	6.1
67.05490	82.8
68.05820	1.6
69.07059	12.8
70.06568	2.4
71.04971	2.7
71.08616	3.8
77.03864	1.3
79.05476	47.1
81.07040	81.0
82.07357	1.9
83.04978	2.3
83.08608	9.2
85.06529	5.5
88.07600	3.4
91.05462	22.4
93.07024	67.1
94.07342	1.9
95.04929	5.7
95.08588	70.6
96.08950	2.7
97.06522	3.7
97.10150	2.8
98.21499	2.9
99.08083	4.5
105.06317	0.8
105.07007	23.1
106.08653	2.5
107.08572	40.9
107.09286	2.6
108.08891	1.9
109.06487	3.3
109.10142	28.3
110.10490	1.5
111.08048	3.3
113.09586	2.6
117.06982	9.3
119.08562	16.4
121.10119	31.0
122.10499	1.5
123.08035	1.9
123.11696	13.9
125.09639	2.2
129.07103	1.4
131.08542	24.8
133.10100	14.0
135.11653	26.2
137.13255	8.2
139.11182	1.3
143.08502	3.0
145.10100	19.7
147.11652	15.1
149.09627	1.6
149.13235	23.4
151.14839	4.3
153.12700	2.8
155.08545	2.0
157.10103	2.5
159.11665	15.6
161.13223	10.8
163.11189	1.6
163.14786	18.6
165.12706	2.0
169.10121	1.7
171.11674	2.4
173.13240	18.5
175.14842	4.1
177.12674	2.0
177.16319	9.6
179.14259	2.5
185.13191	1.4
187.14777	11.5
191.14319	1.5
197.13237	1.5
201.16383	3.3
205.15839	1.9
211.14816	1.9
215.17966	1.3
222.32619	1.3
233.22617	6.2
239.09024	1.6
243.21031	35.0
244.21361	2.3
261.22083	100.0
262.22580	6.3
263.23538	1.7
279.23141	2.7
335.25772	7.2
336.32578	1.3
353.27411	8.2
354.26871	1.7
354.33569	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	353.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13219	2.4
52.46442	2.5
53.03938	7.0
53.12426	2.8
53.31662	3.0
55.01857	9.6
55.05496	22.2
56.92266	2.9
57.03432	17.7
57.07063	13.8
59.04983	7.0
61.02910	3.9
67.05494	30.1
69.03421	70.8
69.07052	28.2
70.06567	4.1
71.01342	4.6
71.04978	11.3
71.61986	3.0
71.62314	4.1
73.02897	8.4
79.05491	24.5
81.03403	16.8
81.07042	70.0
83.04973	25.5
83.08598	19.0
85.02895	35.7
85.06521	12.3
87.04451	6.1
91.05461	19.7
93.07033	42.3
95.04953	56.2
95.08028	5.8
95.08594	64.6
97.02871	24.7
97.06485	14.9
99.04430	23.2
103.03915	4.8
103.05444	4.0
105.07016	36.6
107.04941	4.6
107.07858	3.8
107.08579	74.1
107.11797	3.4
109.02872	7.1
109.06495	27.2
109.10129	41.8
111.04421	14.8
111.08070	25.3
113.06038	3.9
113.09620	6.2
115.03941	9.5
115.05420	5.4
115.65549	3.3
116.06186	2.7
117.07009	7.0
119.08569	36.5
120.08092	7.6
121.06498	13.7
121.10124	69.6
121.11004	3.4
123.04429	3.2
123.08054	31.4
123.11691	74.0
125.05988	6.3
125.09629	10.4
127.03915	16.5
127.07523	5.9
128.06201	2.9
129.05453	4.5
131.08559	42.3
133.06456	6.8
133.10118	29.1
135.08040	23.4
135.11676	37.1
137.05939	11.4
137.09572	17.0
137.13217	10.6
139.07541	5.0
139.11183	4.0
143.08542	7.3
145.04921	4.3
145.06421	3.9
145.10109	17.5
147.08025	10.7
147.11636	18.7
149.09590	13.1
149.13225	47.6
151.07507	8.5
151.11169	6.2
153.09081	21.3
155.07042	8.9
155.08539	3.8
155.10695	6.1
157.10158	5.1
159.09158	9.4
159.11624	9.5
161.09599	9.2
161.13235	11.2
163.06059	3.2
163.07526	7.7
163.11142	7.7
163.14810	20.6
165.12744	5.1
167.07016	3.0
167.14264	7.0
171.10139	9.8
171.11673	6.5
173.09544	6.8
173.13231	42.9
175.11182	6.4
175.14818	12.2
177.12758	4.0
179.14290	20.9
181.08652	4.1
181.12248	5.4
189.12753	8.5
191.07065	7.2
191.10606	7.7
191.14238	42.1
195.10114	5.1
201.10248	23.1
203.14238	6.6
207.13936	4.8
209.11774	5.0
209.15329	40.6
215.14310	4.0
219.11398	4.7
221.15366	6.5
233.15274	9.7
263.16431	3.5
275.16489	6.4
317.17361	12.9
335.18463	13.6
353.20163	100.0
370.85184	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54501	6.4
57.55596	6.9
58.29095	6.1
66.00793	6.9
69.92303	17.8
69.92714	19.2
85.02877	12.2
89.05396	7.2
93.59707	6.4
98.21597	7.0
109.28893	6.9
119.01910	10.8
130.98721	6.2
133.22162	6.2
146.06993	7.1
157.03491	9.5
159.03136	8.2
164.69424	6.5
180.13069	6.8
209.83679	8.3
223.06584	25.5
265.07819	10.0
277.07684	6.9
353.06406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.084
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
69.75511	5.2
69.75916	0.9
85.02866	0.9
87.01348	0.7
94.63087	0.7
131.95659	0.8
225.75281	0.8
245.05083	1.4
353.08401	100.0
354.08701	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1225
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
52.01248	0.1
53.03950	0.2
54.39489	0.1
55.05496	0.2
65.07500	0.1
67.01842	0.5
67.05491	0.3
68.72536	0.1
68.99770	0.3
69.03419	0.6
69.07050	0.4
69.59035	0.9
71.04971	0.5
72.08138	0.1
79.05466	0.5
81.03412	0.2
81.07058	0.8
81.07443	0.1
82.80292	0.1
83.04961	0.2
85.02892	0.3
85.06521	0.3
91.05464	0.3
93.07018	0.3
95.04935	0.4
95.08604	0.6
99.04451	0.1
99.08056	0.3
105.03371	0.4
105.07016	0.3
107.04932	0.3
107.08546	0.2
109.02829	0.3
109.10139	0.2
110.10416	0.2
119.08572	0.2
121.06455	0.2
121.25518	0.1
123.04298	0.1
123.08003	0.2
125.05971	0.7
127.03883	0.2
130.09454	0.2
131.08543	0.2
133.06439	0.2
133.10115	0.2
134.21904	0.2
135.08020	0.4
137.13239	0.3
137.26416	0.1
145.10121	0.1
147.04456	0.2
149.04848	0.1
151.03883	0.8
155.10663	0.3
155.14278	0.7
156.10977	0.3
161.05923	0.2
163.07458	0.2
168.82440	0.1
173.09634	0.2
173.11693	0.2
173.15355	0.4
174.12149	0.3
176.04706	0.7
189.05402	0.2
189.09099	0.2
191.07007	100.0
192.07346	2.3
201.21788	0.1
221.08072	0.2
266.31790	0.1
278.78604	0.1
279.08603	0.6
298.01404	0.1
353.12393	0.8
374.79764	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	352.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05499	3.7
57.03426	2.1
57.07071	18.7
59.04990	4.2
61.02910	2.1
67.05489	3.9
69.03420	8.6
69.04195	0.8
69.07063	8.5
70.06586	1.1
70.64085	0.8
71.04976	2.5
71.29310	1.3
79.05480	4.9
81.03408	4.4
81.07045	12.5
83.04977	2.6
83.08623	3.1
85.02898	13.3
85.06538	5.1
91.05459	5.1
93.07017	8.5
95.04961	2.3
95.08587	10.0
97.02880	5.6
97.10168	3.6
99.04459	2.2
105.07008	6.0
106.07387	1.0
107.04929	1.5
107.08577	15.7
109.02856	4.0
109.06533	2.3
109.10138	5.2
111.08060	1.5
111.11702	2.8
117.06976	1.2
119.04951	2.8
119.08570	5.2
120.05256	3.1
120.08920	1.1
121.06499	2.4
121.10124	9.9
123.04489	1.0
123.08025	1.5
125.09622	1.2
127.03873	5.3
127.11165	1.0
128.04243	1.2
129.10091	1.0
131.08562	2.6
133.06465	2.7
133.09097	1.5
133.10109	22.2
134.06839	1.5
134.10451	1.2
135.08029	2.5
135.11697	4.4
137.02321	2.4
137.09604	8.6
137.13229	16.1
143.08612	1.4
145.04918	1.9
145.10094	2.8
146.05994	2.1
147.04390	15.3
147.11649	1.8
148.04726	11.7
149.09612	2.2
149.13255	4.1
151.11133	1.2
155.14287	100.0
156.14661	1.9
159.11734	1.1
161.09599	1.5
161.13252	1.4
163.11163	3.7
163.14830	2.3
167.07050	1.3
173.11852	1.7
173.13237	1.7
173.15366	34.8
175.11188	1.7
177.12691	2.1
181.12250	1.5
188.07083	3.0
189.09126	1.1
189.12787	1.0
191.06927	1.9
191.10652	1.7
191.14290	13.4
193.08417	1.1
203.14359	1.7
204.08981	1.1
232.08321	1.5
233.15335	1.5
245.15150	1.2
249.08807	1.8
261.08917	1.1
262.09714	1.0
274.07925	1.5
275.07593	0.9
276.07666	1.6
289.08511	1.2
291.09833	1.5
292.10483	1.5
294.08847	1.2
295.05463	1.0
315.15231	1.0
317.17737	1.2
320.09827	1.8
321.11005	1.6
322.07870	1.5
335.18488	1.4
337.10620	5.4
352.12802	15.0
353.09943	1.7
353.13531	1.3
353.15909	2.1
353.19373	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.0
55.01834	2.0
55.05479	1.0
56.04996	0.6
56.96528	0.9
57.03428	2.9
58.06557	1.7
59.04978	1.1
60.08116	0.5
61.02914	3.7
67.05479	1.4
68.04983	0.9
69.03423	9.7
69.07027	2.1
70.06583	13.9
71.04944	1.6
71.08591	0.6
71.61426	0.8
72.08114	0.7
73.02885	1.5
73.06509	0.5
79.05439	0.5
81.03402	4.2
81.07012	1.4
83.04939	1.8
83.08586	2.4
84.04436	0.6
84.08127	4.2
85.02892	23.7
86.06053	3.5
86.09705	5.8
87.04430	2.2
88.07588	0.9
88.11198	0.6
91.03925	1.0
91.05460	0.8
93.07008	1.0
95.04919	1.7
97.02283	0.8
97.02869	10.7
98.97528	1.5
99.04424	2.0
100.11244	12.6
101.00836	0.7
107.04886	0.5
109.02863	3.8
109.06483	1.8
109.10143	0.6
110.07150	1.0
111.04419	2.5
112.07568	0.5
113.05972	1.1
116.07090	4.6
116.98564	1.3
119.01878	1.1
119.04915	0.6
121.06479	1.2
122.02715	1.5
123.04391	1.3
126.12766	18.0
127.03877	5.6
127.07533	1.0
128.07088	0.6
129.05481	1.4
129.10190	1.0
132.06520	0.8
133.02823	0.6
135.04369	1.6
136.07545	1.0
137.05986	3.7
137.09543	0.6
144.13811	58.0
145.04941	3.6
145.14163	0.9
146.06026	0.9
147.04384	2.0
155.07048	4.4
158.05891	0.9
162.05481	23.4
163.03864	4.6
167.06969	0.8
172.07532	0.7
172.09645	1.6
172.13310	6.3
173.08038	4.4
174.05481	10.6
175.06157	2.5
176.07056	1.1
179.03230	0.9
186.05487	1.6
188.07065	1.7
190.04968	25.8
190.08612	1.7
190.14354	100.0
191.03839	0.6
191.05382	1.3
191.14632	1.6
202.04973	1.0
204.06500	1.4
214.14430	1.1
216.06526	1.7
219.01698	0.6
220.11908	1.1
229.11777	0.7
231.04234	0.6
232.06036	1.1
237.02795	1.2
240.06493	1.2
242.07448	0.6
244.05951	1.0
256.05972	0.9
260.09128	2.5
261.57883	0.7
262.07150	1.0
288.08688	0.8
289.11411	0.8
316.08249	0.7
316.17456	0.9
317.16531	1.5
321.08224	0.7
334.09204	5.7
334.18579	0.8
335.12042	1.2
352.10242	19.3
352.14664	1.0
352.19666	11.1
353.06378	0.6
353.13547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05498	2.8
57.03424	1.7
57.07053	1.3
57.69873	0.6
59.04981	0.9
61.02907	1.5
67.05162	1.1
67.05493	11.9
68.80869	0.7
69.03403	3.3
69.07059	5.9
69.96362	3.3
70.20773	0.6
70.56805	0.7
71.04978	5.7
79.05477	1.4
81.03389	1.5
81.07042	13.1
83.04990	0.9
83.08588	0.8
85.02896	6.0
85.06530	14.7
91.05451	3.5
93.07057	4.2
95.04953	1.5
95.08598	21.3
97.02881	1.6
97.06530	1.7
99.04452	2.9
99.08083	2.4
107.08581	2.0
109.02849	1.5
109.06496	1.2
109.10145	46.3
110.10472	1.2
111.08044	2.4
113.06009	1.0
113.09615	1.4
119.08562	5.5
125.09614	0.9
127.03905	1.9
127.11178	2.7
133.25804	0.6
136.06152	4.3
137.05949	2.1
137.09598	39.0
145.04947	1.0
147.04405	2.9
148.04723	2.4
148.06065	0.8
154.60236	0.7
155.07082	1.7
155.10651	100.0
155.14258	2.5
156.11015	2.1
159.10133	0.9
162.05449	0.9
172.91565	0.8
173.08105	1.1
173.11723	43.7
173.15375	1.3
190.08513	0.8
191.07010	1.2
191.14413	0.8
191.16302	1.0
203.64828	0.8
220.11931	5.0
242.45535	0.6
347.54398	0.6
349.94235	0.7
352.16122	2.7
353.13327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
58.06596	0.5
61.02912	0.6
61.91788	0.3
63.90675	0.4
69.03417	1.3
69.07056	0.5
69.69252	1.6
69.69685	1.5
70.90175	0.4
81.03432	0.5
85.02896	3.8
92.37743	0.4
94.42100	0.4
97.02869	1.5
106.60797	0.4
109.02851	0.4
109.87811	0.4
116.04987	0.9
119.01891	0.6
121.71684	0.4
126.12798	0.7
127.03915	0.7
137.06015	0.4
144.04404	0.6
144.13812	3.4
162.05476	67.5
162.57964	0.4
163.05814	2.1
190.04959	100.0
190.14336	4.4
191.05301	2.5
211.06540	0.4
219.57898	1.0
220.07935	0.5
220.11813	0.4
352.10721	0.8
352.19638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.05502	5.2
55.48961	0.9
57.03422	3.4
57.07069	6.8
59.04987	3.7
61.02911	1.4
67.05503	11.1
69.03422	3.6
69.07062	13.6
71.04989	9.0
71.51339	1.6
73.06538	1.4
79.05460	2.1
81.03402	1.2
81.07030	4.8
83.04964	0.9
83.08611	16.3
84.08105	1.1
85.02903	6.7
85.06535	11.7
87.04498	1.3
91.05481	2.0
93.07021	1.5
94.96864	0.8
95.04939	1.4
95.08606	4.6
97.02873	2.7
97.06528	2.0
99.04459	1.8
99.08089	1.4
101.04244	1.4
101.06019	4.5
107.08579	2.4
109.02873	1.1
109.06557	1.4
109.10142	35.7
110.10468	1.2
113.05997	14.7
119.08573	1.1
121.10130	1.2
123.11700	2.0
124.28304	0.8
127.03928	1.9
127.11143	4.7
129.09103	29.5
131.08543	1.1
133.10095	0.9
136.06145	0.9
137.09547	4.5
145.04913	1.2
147.04430	3.1
148.04738	4.6
148.06137	3.2
155.10652	62.6
173.11720	100.0
174.12100	1.4
185.08258	4.2
188.07036	7.6
202.10898	3.5
220.11923	11.1
299.43979	0.9
319.90277	0.9
352.16238	3.9
353.19647	3.6
354.42123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.05501	20.2
57.03425	7.0
67.05493	39.0
69.07057	17.0
71.04983	4.2
71.08597	3.4
71.62099	3.5
71.62463	3.3
79.05479	54.7
81.03433	2.8
81.07040	46.8
83.04976	4.4
83.08627	7.4
85.06544	4.9
91.05469	53.2
91.05994	4.0
93.07035	74.8
93.07612	3.9
95.04971	7.2
95.08589	40.0
97.02883	3.4
97.06537	5.5
97.10136	2.9
99.08033	5.6
105.07018	67.0
107.08584	47.9
109.06519	6.5
109.10152	20.0
111.08096	3.0
117.06996	12.2
119.04910	2.7
119.08559	59.2
119.09333	4.1
121.06470	2.9
121.10113	39.1
121.10878	3.5
122.10551	2.6
123.08031	5.3
123.11718	8.0
125.09663	3.3
129.07030	10.1
130.72723	2.5
131.08540	27.9
133.10121	52.0
135.08070	4.1
135.11658	37.7
135.12521	2.9
137.09656	4.1
143.08510	15.8
145.10095	25.6
147.04387	20.3
147.08090	2.6
147.11668	50.2
149.09639	4.5
149.13248	24.1
151.11110	3.6
153.00531	2.8
156.88530	2.4
157.10094	18.4
159.11644	21.0
161.09653	6.1
161.13237	44.6
163.11147	4.8
163.14830	3.3
165.12720	3.7
169.10074	3.3
171.11676	15.6
173.13275	12.1
175.11195	3.1
175.14781	23.1
177.12798	5.3
185.13243	12.6
187.14839	4.9
189.12825	4.1
197.13248	3.6
199.14876	8.4
203.14307	4.1
207.11749	3.1
213.16536	5.2
217.16060	3.2
217.19536	4.3
231.17532	4.9
231.21144	10.5
241.19440	34.3
242.19829	3.4
259.20532	100.0
260.20914	6.1
277.21750	6.2
351.25449	85.4
352.25772	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00851	1.8
52.82361	1.9
53.03933	4.2
54.85163	1.8
55.01849	4.5
55.05504	26.5
57.03433	16.7
57.07070	6.0
62.94891	1.7
65.03925	3.6
66.24921	1.8
67.05498	60.0
69.03418	3.2
69.07060	22.0
69.46942	17.9
71.04973	4.0
71.08625	60.7
79.05486	52.2
81.03417	6.0
81.07049	76.3
82.11367	2.3
83.04965	10.3
83.08598	13.0
85.06516	6.3
91.05471	41.2
91.05997	3.3
93.07036	67.1
93.07619	3.5
95.04964	13.2
95.08594	52.4
97.06501	12.5
97.10175	4.5
99.08080	41.1
105.07007	34.9
105.07652	2.5
107.04980	7.0
107.08575	50.1
109.06544	3.8
109.10158	25.8
111.08106	6.1
113.09631	3.4
117.07014	8.7
119.04932	3.0
119.08563	28.0
121.10134	36.1
123.08078	4.4
123.11723	7.6
124.27546	2.0
125.09633	4.3
129.07042	6.3
131.08502	11.0
133.10135	27.1
135.08087	2.1
135.11668	39.9
137.09627	5.4
137.13287	2.9
139.11208	2.6
141.09084	2.1
143.08557	7.3
145.10143	12.6
147.04460	7.2
147.11700	15.7
149.09607	4.4
149.13220	16.4
151.11174	22.6
153.12743	3.0
157.10173	5.7
159.11664	15.0
161.13205	17.9
163.11200	7.1
163.14883	4.7
165.12703	3.9
167.10768	3.1
169.10268	3.1
171.11729	9.4
173.13254	6.0
175.14864	7.1
177.12775	5.8
179.14291	100.0
180.14647	2.6
185.13307	5.7
187.14873	5.0
189.12755	2.1
189.16415	2.2
193.15942	2.5
199.14767	5.1
213.16438	2.8
217.15840	2.4
221.15323	4.5
223.14709	2.5
231.17580	1.9
235.16971	5.1
241.19649	6.2
259.20508	16.5
277.21564	56.4
278.21939	2.6
295.24344	1.9
305.22446	2.4
336.54373	2.1
351.25470	85.1
351.30542	9.8
352.25201	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.0
55.01851	3.0
55.05500	20.0
57.03423	10.5
57.07048	3.9
60.70621	1.3
65.03915	1.7
67.05493	45.6
67.33505	1.2
69.03422	2.7
69.07056	19.3
71.04962	4.0
71.08611	1.7
71.62270	1.7
71.62720	2.0
75.04481	1.6
75.35737	1.2
79.05479	63.4
79.65528	1.3
80.05788	1.6
80.12055	1.4
81.03391	4.5
81.07043	60.3
82.07388	1.7
83.04965	4.7
83.08601	9.5
85.02917	3.3
85.06516	6.3
91.03931	1.6
91.05465	51.0
92.05815	1.9
93.07027	96.7
95.04964	8.9
95.08589	41.9
97.02861	2.7
97.06509	5.1
97.10147	3.4
99.04426	1.9
99.08080	5.0
101.05978	1.7
105.07011	62.4
107.04920	2.7
107.08575	61.0
109.06487	4.4
109.10135	15.6
111.04432	2.1
111.08067	2.3
113.09644	2.8
115.05441	1.8
116.97170	1.6
117.06998	12.9
119.04906	1.9
119.08559	59.1
120.08882	1.9
121.02832	3.3
121.06473	2.0
121.10118	45.8
122.10428	1.8
123.08046	3.2
123.11696	5.9
125.09583	2.7
127.03902	2.8
127.07553	1.7
128.06252	2.0
129.05428	2.1
129.06963	9.3
131.00070	2.5
131.08540	21.7
133.10106	51.6
135.08037	2.5
135.11667	43.5
136.12056	3.1
137.05948	4.7
137.09569	3.8
139.11145	1.3
142.07767	2.3
143.08516	12.6
144.09108	1.3
145.10092	27.8
147.04341	12.6
147.08049	2.4
147.11662	45.9
149.09596	4.2
149.13217	27.5
151.11275	3.1
155.08379	2.3
157.10101	14.7
159.11664	22.0
161.09586	3.3
161.13231	41.0
163.11130	5.9
163.14781	8.8
165.12712	2.1
169.10095	2.3
170.10909	1.7
171.11668	15.8
173.13269	14.6
175.11218	3.3
175.14816	19.8
177.00595	1.6
177.12743	3.5
177.16396	2.7
181.12196	1.8
183.11691	2.8
185.13231	19.8
187.14803	5.0
189.00539	3.2
189.12741	5.8
189.16425	2.9
199.14796	8.2
201.16434	1.6
203.14203	1.7
211.13155	2.1
213.16379	5.7
215.18018	1.9
217.15915	2.2
217.19487	5.8
221.15385	1.7
231.17398	3.1
231.21048	8.7
241.17183	3.0
241.19476	39.7
259.20526	100.0
260.20953	4.8
271.06110	1.8
273.06216	3.1
277.21613	14.5
285.16754	1.5
297.22083	1.5
315.23062	2.4
333.24045	13.0
351.25311	97.2
352.25720	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.5
53.78122	1.0
55.05257	1.4
55.05500	16.0
57.03408	4.8
57.07046	2.3
57.45428	1.0
62.60224	1.1
64.86665	1.1
67.05493	40.3
69.07051	14.5
69.52056	4.9
69.52473	5.0
71.04972	2.5
71.08629	1.8
75.04473	1.7
79.05477	58.7
81.07042	46.6
83.04966	1.7
83.08601	5.6
85.06530	3.7
85.13644	1.4
91.04885	2.4
91.05462	54.4
93.07027	74.3
94.07325	1.5
95.04962	6.7
95.08588	31.4
96.08916	1.8
97.06525	3.1
97.10159	3.4
99.08079	4.0
105.07008	59.2
106.07310	1.8
107.08571	41.7
109.06493	6.4
109.10133	12.1
109.43643	1.2
111.08050	3.0
115.05395	1.7
117.07001	12.8
119.08556	51.2
119.57593	1.2
121.09296	2.6
121.10125	35.0
121.10995	1.7
123.08046	2.7
123.11694	4.2
125.09656	2.0
128.06218	2.1
129.06992	9.7
130.07802	1.2
131.08556	19.0
133.10106	47.6
135.08055	1.8
135.11665	33.9
137.09637	1.7
143.08553	11.2
145.10097	24.2
147.11665	46.1
148.12054	1.5
149.09682	2.7
149.13225	19.5
151.11143	1.8
155.08411	1.3
157.10086	9.6
159.11652	22.9
161.13237	32.8
163.11177	3.8
163.14789	5.0
165.12769	2.6
171.11673	11.7
173.13228	12.3
175.11153	1.7
175.14801	15.8
177.12712	2.2
179.14362	1.7
183.11588	1.5
185.13196	11.0
187.14818	3.5
189.12657	2.9
189.16394	1.9
199.14771	7.4
201.16434	1.6
203.14336	1.5
213.16411	4.2
217.15631	1.5
231.21074	8.4
241.19460	32.3
242.19919	1.6
259.20529	100.0
260.20889	5.1
261.22073	1.8
277.21582	5.4
289.21570	1.9
333.24506	2.0
351.25299	78.1
352.25635	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01854	2.5
55.05508	16.9
57.03422	4.5
57.07063	3.0
63.72227	1.1
65.03931	2.6
67.05495	39.7
68.05829	1.2
69.03384	1.3
69.07052	12.4
69.43024	7.1
69.43430	2.8
71.04984	1.8
71.08632	2.3
75.04478	3.4
79.05482	53.1
81.03419	1.4
81.07046	45.5
82.07378	1.5
83.04967	2.5
83.08622	6.8
85.06541	3.4
86.70665	1.2
91.04890	2.2
91.05466	53.1
93.07031	72.5
94.07389	2.6
95.04974	6.2
95.08595	35.7
97.02846	1.3
97.06521	4.5
97.10149	2.8
99.08095	5.0
103.05489	1.3
105.07017	60.4
106.07347	2.0
107.08578	39.9
109.06488	2.3
109.10150	8.2
111.08053	2.5
111.11739	1.3
113.09666	2.9
117.06990	14.0
119.08566	52.8
121.06501	1.2
121.10123	28.6
122.10454	1.4
123.08095	1.3
123.11700	4.2
128.06190	2.5
129.06985	9.6
131.08549	22.0
133.10109	42.2
134.10464	2.3
135.08046	2.5
135.11673	31.1
137.09589	2.4
142.07738	1.7
143.08565	10.1
145.10120	22.0
147.04437	4.1
147.11668	43.6
148.12007	1.6
149.09627	3.3
149.13242	21.8
151.11163	2.9
157.10112	11.0
159.11691	19.6
161.09674	1.8
161.13240	33.5
161.14584	1.7
163.11195	5.2
163.14783	6.9
165.12738	1.2
169.10179	1.5
171.11670	13.1
173.13243	10.8
175.11224	3.5
175.14807	17.5
177.12796	2.2
179.14351	3.2
183.11688	1.9
185.13214	14.2
187.14838	3.7
189.12769	3.5
195.11812	1.2
197.13193	2.3
199.14796	9.3
203.14275	2.9
213.16353	2.9
215.17918	2.1
217.16049	1.6
217.19542	2.3
231.17435	2.7
231.21097	9.6
241.19479	36.8
242.19876	1.8
259.20535	100.0
260.20944	3.3
261.22186	1.8
277.21454	4.7
333.24359	4.3
351.25327	80.3
352.25626	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	351.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01876	1.0
55.05501	16.1
57.03189	0.9
57.03429	8.8
57.07061	1.9
57.79898	1.0
65.03919	2.9
66.38742	1.0
67.05494	43.5
69.07058	15.9
69.75925	3.0
69.76352	4.6
71.04974	3.5
75.04448	2.7
77.03903	1.4
79.05480	67.0
81.07044	55.0
83.04978	2.2
83.08599	8.3
85.06520	3.9
91.05467	49.0
92.05807	1.2
93.07029	92.4
94.07385	1.9
95.04975	6.8
95.08595	38.9
97.06509	4.5
97.10164	4.0
99.08078	4.6
103.65468	1.1
105.07014	58.3
106.07359	1.3
107.08578	55.8
109.06493	4.5
109.10139	16.6
111.11692	1.2
113.09634	2.9
115.05431	1.2
117.07002	16.3
119.08564	51.3
120.08908	1.4
121.06461	1.5
121.10122	47.2
123.08053	2.7
123.11682	4.8
125.09618	2.6
129.06972	8.7
131.08543	22.0
133.10115	51.1
135.08028	3.0
135.11670	48.7
135.12695	2.3
137.09566	1.2
137.13255	1.5
143.08556	11.7
145.10100	24.6
147.04395	2.7
147.11667	53.6
148.12064	1.1
149.09601	2.6
149.13234	27.6
151.04584	1.0
157.10095	11.7
159.11667	18.1
161.09561	1.9
161.13225	34.7
162.13533	1.3
163.11142	4.4
163.14810	10.4
165.12698	2.6
169.10170	1.9
171.11656	15.3
173.13213	11.2
175.11253	2.7
175.14809	16.5
177.12772	3.0
179.14316	1.1
181.12367	1.2
185.13264	14.0
187.14798	3.7
189.12660	3.1
189.16309	1.6
191.14249	1.6
194.10986	1.1
199.14796	8.5
203.14291	2.5
203.17973	1.4
211.11093	1.2
213.16403	6.2
215.17964	1.6
217.15811	2.5
217.19464	3.6
221.15419	1.7
231.17377	2.4
231.21024	8.8
241.19467	34.5
242.19885	2.3
243.21152	1.7
259.20544	100.0
260.20978	4.8
261.22192	1.7
277.21619	14.2
289.21451	1.4
297.08939	1.2
333.24155	11.6
351.25299	92.1
352.25629	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	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86115	1.7
53.03929	3.0
55.01861	3.6
55.05503	23.7
55.76067	1.7
57.03429	22.6
57.07064	3.5
65.03947	2.9
67.05492	53.7
69.03410	2.8
69.07056	24.9
69.38258	17.6
71.04977	5.5
71.08618	51.2
79.05476	44.8
79.05898	3.7
81.03392	7.4
81.07040	58.4
83.04963	11.6
83.08594	16.2
85.06517	5.8
91.04951	3.1
91.05472	35.7
93.06458	4.1
93.07029	64.7
93.46422	1.8
95.04948	15.4
95.08580	45.3
97.06519	8.1
97.10172	5.3
99.08068	32.1
105.07001	35.1
107.04935	8.0
107.08574	38.0
108.08886	1.8
109.06503	7.2
109.10141	19.1
111.08077	5.6
113.09630	3.1
117.07023	7.3
119.08562	30.0
121.06475	3.1
121.10122	31.6
123.08073	3.3
123.11657	4.0
125.09579	2.3
129.06972	4.0
131.08568	12.3
133.10104	24.9
135.11661	38.8
137.09633	5.0
137.13266	2.6
137.80164	1.8
139.11121	2.4
140.98521	2.1
141.09074	4.1
143.08551	6.0
145.10095	13.4
147.04375	4.5
147.11646	19.7
149.13222	17.0
151.11134	17.0
153.12750	2.2
157.10130	5.6
159.11685	12.5
161.13211	19.0
163.11122	5.2
163.14819	2.3
167.10640	2.6
169.10194	2.2
171.11737	7.9
173.13295	6.2
175.14825	3.1
177.12717	3.9
179.14275	100.0
183.11754	2.4
185.13277	4.8
187.14755	3.9
189.12776	3.6
194.41046	2.0
195.13809	2.2
199.14722	4.9
213.16393	3.1
218.56488	2.0
221.15305	2.8
231.21042	3.0
235.14838	2.4
235.16995	7.6
241.19510	7.3
244.63602	2.1
259.20480	20.4
277.21597	48.8
278.22153	2.5
308.00009	2.1
333.24765	1.9
342.17007	2.1
351.25354	75.6
351.30466	6.0
352.26022	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01839	1.9
55.05500	17.7
56.39991	1.2
57.03436	6.5
57.07050	4.6
58.59258	1.4
65.03943	1.9
67.05495	41.1
69.03427	1.6
69.07059	14.9
69.97579	5.1
71.04964	3.8
71.08602	2.3
72.08124	2.8
73.06554	1.2
75.04488	2.2
75.42051	1.4
77.03936	1.6
79.05482	55.7
80.55523	1.3
81.07047	53.2
83.04971	2.7
83.08585	9.8
85.06519	4.1
85.27397	1.5
91.04890	1.9
91.05467	48.2
93.07029	78.8
95.04949	5.6
95.08593	37.3
97.06500	3.3
97.09547	1.4
97.10160	3.6
99.08074	5.5
105.04519	2.2
105.07013	54.8
107.04943	2.0
107.08577	49.7
109.06489	3.0
109.10136	14.4
117.06989	11.1
119.08562	44.4
121.10123	41.3
121.11004	1.8
123.08047	2.1
123.11691	4.4
125.09601	1.7
128.06258	1.6
129.06998	8.3
131.08548	18.6
133.06522	1.6
133.10114	40.2
135.08058	2.2
135.11664	41.2
137.09569	1.7
143.08560	11.4
145.10112	21.6
147.04390	3.0
147.07993	2.0
147.11665	48.3
148.12029	1.6
149.09604	2.8
149.13234	25.2
155.96365	1.3
157.10106	9.5
159.11676	11.8
160.87738	1.5
161.11940	2.6
161.13232	37.2
162.13620	1.5
163.11191	3.4
163.14819	9.0
163.62502	1.3
169.10158	1.4
171.11691	11.5
173.13229	14.2
173.96712	1.4
175.11241	3.0
175.14798	17.8
177.12729	2.7
185.13225	11.5
187.14813	2.7
189.12737	4.2
189.16377	1.4
199.14818	9.2
210.92726	1.5
213.16360	6.0
217.15785	2.0
217.19507	4.4
231.17409	2.5
231.20993	8.6
237.73203	1.3
241.19498	39.0
241.21979	2.1
242.19966	1.8
259.20529	86.2
260.20865	3.2
275.20203	1.3
277.21613	14.2
333.24207	9.4
351.25256	100.0
352.25629	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	351.1544
Annotation	CHEBI:76002
Peak:m/z	Relative Intensity
53.03933	0.6
55.05482	0.7
59.04966	0.5
60.76764	0.4
67.05463	0.5
69.03412	1.5
69.07044	0.9
69.50855	3.1
71.04987	1.0
79.05478	0.6
81.03400	1.3
81.07021	1.3
83.04968	0.8
85.02899	1.7
85.06508	0.7
89.06016	0.3
91.05468	0.6
93.07018	1.3
95.04942	0.7
95.08587	1.0
97.02875	0.8
97.06499	0.9
101.06011	0.4
105.07027	0.6
107.08582	1.1
109.02876	3.0
109.10118	1.2
111.04408	0.4
111.08047	0.8
127.03897	0.9
135.11667	1.3
137.09593	0.7
147.04391	1.4
153.09132	0.4
153.12764	1.7
155.10645	0.7
162.05502	2.8
171.13799	2.6
175.08615	0.7
185.10692	0.4
188.09427	0.6
188.39436	0.3
189.10025	0.5
189.14803	0.4
190.04961	2.5
199.08569	2.0
200.09416	6.9
201.10193	6.8
202.10803	0.5
213.10184	6.1
214.10963	4.7
215.11752	16.5
216.12469	1.5
217.09618	1.2
219.11267	8.8
220.11586	0.5
220.52342	0.4
225.13802	0.4
226.10820	1.6
227.08153	0.4
227.11858	1.0
228.08983	0.5
228.12566	2.3
231.11269	2.1
232.12071	1.0
241.09700	2.5
241.13307	4.2
242.10454	9.6
242.14055	0.6
243.11247	2.9
245.09198	0.6
254.10461	1.0
255.11160	0.8
256.12097	3.4
259.10724	2.8
260.11554	3.8
261.12259	1.2
269.12820	3.4
270.13608	0.6
271.14319	0.7
272.11481	0.9
274.12872	0.7
277.11813	3.5
278.12390	0.5
280.12036	0.7
282.10086	0.7
287.13843	2.0
288.14514	0.7
289.15506	0.7
297.12277	6.9
300.11035	2.9
305.15231	0.5
315.13321	20.3
316.08179	1.5
316.13672	0.9
333.10995	0.7
333.14380	20.2
334.09213	0.4
334.14700	1.0
351.15454	100.0
352.11401	0.5
352.15823	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	351.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59760	0.1
52.71786	0.1
65.03927	0.4
69.03400	0.3
69.80526	0.7
71.04997	0.1
71.81737	0.1
72.81229	0.1
81.03405	0.7
81.07048	0.2
81.38068	0.1
89.90282	0.1
91.05464	4.9
93.07030	0.2
95.08584	0.2
97.02866	1.1
98.21478	0.1
99.04432	0.1
102.82084	0.1
105.07007	0.8
107.08577	0.1
109.02863	1.6
109.06506	0.2
119.04920	16.9
119.21802	0.1
120.05256	0.4
124.27237	0.1
127.03894	0.4
131.53075	0.1
133.06389	0.1
133.10136	0.6
135.08047	0.1
135.11633	0.1
145.10103	0.1
147.04384	100.0
148.04716	2.8
159.11717	0.1
161.09622	0.4
161.97995	0.1
163.11176	0.1
189.08997	0.2
191.07018	0.1
215.17924	0.2
217.42902	0.1
227.47507	0.1
273.07492	0.2
303.06686	0.1
333.24115	0.1
351.11572	0.2
351.14432	0.1
353.45520	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	351.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.01856	1.8
56.96547	1.8
57.03415	3.8
58.49419	1.5
58.79151	1.3
58.99847	2.4
61.02910	4.4
69.03413	14.8
70.06590	1.6
71.04985	1.7
71.61541	2.1
73.02884	3.8
76.79713	1.3
77.00883	4.5
80.38873	1.4
81.03394	4.8
82.99851	3.8
84.26715	1.2
85.01408	2.5
85.02890	25.9
87.04444	3.4
91.03955	2.3
95.18919	1.4
97.02880	15.0
98.97559	6.6
99.04417	3.4
101.00862	29.1
102.00943	2.4
103.00623	2.6
103.02448	9.1
105.68912	1.2
109.02881	6.4
110.07156	2.3
113.00848	3.0
115.02412	7.8
116.98584	3.4
117.02141	1.7
117.04003	2.8
119.01898	73.5
120.01976	3.9
121.01621	6.1
121.02455	1.3
121.03468	4.3
121.06490	1.8
127.02399	4.2
127.03904	9.9
128.98557	2.7
129.03964	5.5
131.01886	17.1
133.03435	14.0
134.03656	1.5
135.03223	1.6
135.05034	2.0
137.02959	7.8
139.02365	7.6
143.01868	16.3
145.01660	2.9
145.03427	31.2
145.04900	7.0
146.03531	2.2
147.03159	3.9
147.05014	36.8
148.05038	1.6
151.04477	1.6
153.02983	1.6
153.04089	2.0
155.01865	11.3
157.03442	58.7
157.69147	1.4
158.03635	2.8
159.03157	3.4
159.05042	6.3
161.02951	17.6
161.04239	2.0
161.04755	2.0
162.03444	1.6
163.02672	3.5
163.04510	9.8
165.06061	11.7
169.03374	2.8
170.99646	1.7
171.03348	2.4
171.04996	14.3
173.02972	14.2
173.06589	2.6
175.02917	2.8
175.04503	31.9
177.04189	3.6
181.03473	1.7
181.05469	4.4
183.04993	7.3
185.02995	3.5
185.06523	6.5
187.04489	5.0
189.00624	2.2
189.02411	2.5
189.04262	4.0
189.06033	39.6
190.04738	2.0
190.06239	2.5
191.03984	1.8
197.03020	2.7
199.04485	4.2
201.04317	1.5
201.06046	38.6
202.06331	2.3
203.03973	6.5
203.07628	9.5
205.05528	17.3
207.05159	2.4
211.04602	1.7
213.06058	5.1
215.03992	1.8
215.07573	2.3
217.00160	2.1
217.05473	1.9
219.01709	4.1
221.03137	1.8
221.05042	17.4
222.05284	2.3
223.06601	97.0
224.06706	8.1
225.06064	15.8
231.03545	3.3
231.07198	7.2
233.04974	2.4
237.02664	4.2
241.07649	32.3
242.07922	1.9
243.07175	4.3
245.05109	8.6
246.05197	1.6
246.08115	2.6
247.06679	2.6
249.06305	2.0
259.06580	5.2
261.06393	7.8
261.08521	3.8
261.31769	1.5
263.05893	1.8
263.08426	1.5
267.07532	5.1
273.08130	3.8
279.09219	5.9
287.05981	1.7
291.05560	43.3
291.09183	100.0
292.05838	4.2
292.09378	8.2
295.08774	4.0
305.07263	2.0
305.10623	3.3
309.10056	20.7
310.10397	1.7
319.05057	78.5
320.05215	5.2
323.08206	3.4
332.11856	2.2
333.06433	1.8
335.08148	4.1
336.07159	1.7
351.07608	44.4
351.11234	26.4
351.47934	1.6
352.07904	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	351.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39344	0.1
60.39675	0.1
65.03931	0.5
69.60446	1.0
71.05002	0.2
72.95395	0.1
79.06307	0.1
81.03386	0.5
81.93070	0.2
91.05466	4.3
95.06632	0.1
97.02870	1.0
97.06506	0.2
101.65305	0.2
105.07030	0.3
106.05712	0.1
107.08617	0.2
109.02856	1.3
119.04925	14.5
119.08584	0.3
120.05235	0.5
127.03881	0.7
133.10144	0.3
147.04387	100.0
148.04735	2.9
161.09608	0.3
163.11188	0.2
165.05399	0.2
167.53157	0.1
174.31104	0.2
194.54643	0.2
273.07458	0.8
351.10767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06692	0.2
50.13461	0.2
60.29066	0.2
65.03924	0.3
65.65041	0.2
66.67307	0.2
69.03400	0.6
70.10468	0.5
70.10879	0.6
81.03403	0.7
91.05471	4.7
96.34659	0.2
97.02866	1.1
99.04424	0.3
105.07003	1.0
109.02859	1.5
109.06503	0.2
119.04929	15.8
119.08573	0.3
120.05183	0.3
121.02838	0.7
127.03902	0.9
133.10101	0.9
147.04391	100.0
148.04729	1.9
153.77573	0.2
159.08128	0.2
161.09605	0.7
163.11145	0.2
170.83710	0.2
197.70328	0.2
201.09186	0.4
229.33980	0.2
273.07440	0.6
311.75162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05496	0.4
57.03442	0.3
60.02416	0.2
60.27246	0.2
65.03925	0.4
66.96664	0.2
67.05483	0.3
67.89011	0.2
69.03408	0.8
69.07055	0.4
70.77802	0.8
71.04990	0.3
81.03403	1.4
81.07033	0.9
83.04985	0.3
83.08624	0.5
85.02899	0.6
85.06549	0.3
85.59180	0.2
91.05471	5.6
93.07030	1.1
95.04958	0.5
95.08588	0.8
97.02875	1.4
97.06530	0.5
99.04442	0.7
105.07025	1.9
107.08583	1.1
109.02885	1.7
109.06473	0.5
109.10133	0.4
111.08000	0.3
111.88165	0.2
119.04928	16.0
119.08573	0.8
120.05244	0.4
121.06455	0.3
121.10175	0.2
125.09675	0.3
127.03896	1.6
133.06494	0.4
133.10118	1.4
135.07997	0.3
135.11711	0.5
137.09512	0.4
145.10130	0.2
147.04395	100.0
148.04732	3.3
153.12671	0.3
154.13016	0.3
161.09612	1.6
163.11192	0.4
179.10654	0.3
189.09079	0.4
189.12724	0.3
207.06459	0.3
227.30785	0.2
273.07465	0.7
289.16275	0.3
291.15952	0.7
299.85370	0.2
319.09784	0.3
321.65335	0.3
333.17139	0.3
339.65918	0.3
351.11343	0.5
351.14502	0.5
351.17923	0.4
351.21707	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90875	0.2
53.03951	0.2
55.05504	0.5
65.03930	0.3
67.01865	1.6
67.05490	0.3
69.03416	0.5
69.07049	0.2
70.62683	0.4
70.63041	0.4
71.04977	0.7
72.76154	0.1
75.57621	0.2
79.05477	0.3
81.03410	1.4
81.07039	0.7
82.07375	0.3
82.89040	0.2
85.02882	0.7
85.72203	0.2
91.05474	5.6
93.07010	0.5
95.04975	0.3
95.08578	0.4
97.02884	0.8
97.06487	0.2
99.04427	1.1
105.07033	2.0
107.08607	0.6
108.08865	0.2
109.02848	1.7
109.06512	0.2
119.04937	17.2
119.08585	0.6
120.05238	0.4
121.02959	0.2
121.10134	0.4
127.03905	4.6
133.06474	0.2
133.10138	1.1
135.11674	0.4
136.12009	0.3
142.07780	0.2
143.08566	0.2
147.04395	100.0
148.04724	2.9
151.07568	0.2
153.12723	1.2
154.13058	2.0
161.09627	0.9
163.11217	0.3
165.05487	0.4
165.12721	0.5
179.10681	0.4
183.08083	0.3
189.09065	0.3
189.12698	0.4
231.02850	0.3
253.10843	0.2
255.06502	0.7
273.07571	5.2
291.15961	0.2
351.10947	0.3
351.14520	0.3
351.17963	0.5
351.24426	0.6
353.89825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86576	0.1
53.03934	0.2
55.05490	0.2
65.03920	0.5
67.05492	0.2
69.03406	0.5
69.07045	0.1
70.42636	0.1
71.04992	0.2
71.42327	0.2
73.02881	0.2
79.05466	0.2
81.03420	0.8
81.07030	0.5
85.02869	0.3
85.06547	0.1
88.30321	0.2
91.05463	5.5
93.07018	0.4
95.08591	0.2
97.02880	1.5
99.04424	0.3
105.07019	1.6
107.08557	0.2
109.02855	1.7
109.06491	0.2
110.49264	0.1
119.04913	16.8
119.08528	0.7
120.05224	0.4
121.10142	0.2
123.08036	0.2
123.11639	0.2
127.03915	0.7
131.08528	0.1
133.10103	1.1
137.09549	0.2
143.08607	0.2
145.10074	0.2
147.04378	100.0
148.04716	3.0
161.09557	1.1
163.11140	0.5
179.10603	0.4
189.09113	0.3
264.38831	0.1
273.07635	0.2
319.09528	0.2
351.10602	0.3
351.14474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
61.22700	0.2
65.03927	0.4
67.01855	0.3
69.03397	0.6
69.07043	0.4
69.76400	1.1
74.89861	0.2
79.05473	0.3
81.03383	1.1
81.07050	0.5
83.04972	0.4
85.02884	0.5
91.05466	5.0
93.07023	0.5
95.04936	0.2
95.08579	0.6
97.02888	1.3
97.06483	0.2
105.06994	0.5
107.08572	0.8
108.08919	0.5
109.02871	1.7
109.06494	0.3
109.10158	0.4
119.04925	16.0
119.08585	0.8
121.09275	0.2
121.10106	0.4
123.08189	0.2
123.11726	0.3
127.03908	1.3
133.06467	0.4
133.10143	1.2
135.11650	0.8
136.12009	0.5
147.04387	100.0
147.11671	0.6
148.04716	2.6
155.12814	0.2
161.09613	0.5
161.13237	0.2
167.70518	0.2
174.95874	0.2
175.03880	0.3
175.14806	0.9
178.26334	0.2
192.74019	0.2
207.06409	0.2
229.07053	0.3
273.07599	1.2
302.57538	0.2
339.72153	0.2
351.11108	0.6
351.18109	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01874	1.7
55.05492	4.8
57.03433	1.3
61.02910	1.3
65.03932	1.3
67.05482	5.3
69.03419	3.5
69.07041	4.7
71.04989	1.7
71.47084	2.8
79.05477	11.2
81.03402	2.7
81.07057	6.6
83.04958	5.6
83.08597	2.2
85.02881	13.8
91.05464	14.0
93.07024	78.9
94.07369	1.2
95.04982	2.7
95.08585	15.5
97.02866	4.7
97.06512	9.0
100.11224	9.0
101.11552	1.4
105.04434	1.3
105.07015	4.7
107.08575	100.0
108.08905	1.7
109.02888	2.5
109.06476	2.4
109.10125	5.4
111.04422	2.5
114.37901	1.2
117.12675	1.2
119.04922	8.4
119.06031	1.4
127.03924	3.1
133.10149	1.9
134.22089	1.4
135.11662	83.1
136.12048	1.7
137.13287	2.3
145.04915	4.1
147.04382	51.1
153.12712	22.7
171.13779	4.1
182.15460	1.6
185.75201	1.2
209.16554	1.2
211.15254	1.2
211.60118	1.3
227.17529	1.7
276.72833	1.3
277.22864	5.4
290.31372	1.3
304.20264	1.3
332.92627	1.3
340.76068	2.1
343.30719	1.7
344.30927	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.05501	0.4
57.03424	0.4
65.03921	0.3
66.31160	0.1
66.36171	0.1
67.01836	0.5
67.05484	0.4
69.03411	0.9
69.07046	0.5
69.40457	0.2
70.87550	0.3
70.87882	0.2
71.01311	0.2
71.04967	0.5
73.02888	0.5
74.19862	0.1
78.62286	0.2
79.05464	0.4
81.03409	0.8
81.07029	0.7
81.18340	0.1
83.04975	0.3
85.02888	1.0
85.06481	0.2
91.05464	7.6
93.07021	0.6
95.04967	0.5
95.08588	0.3
95.94508	0.2
97.02876	1.4
97.06487	0.3
99.04438	0.5
105.07021	1.1
107.04916	0.2
107.08578	0.7
109.02827	1.8
109.06510	0.4
109.10139	0.5
111.08116	0.2
117.07002	0.3
119.04921	16.4
119.08538	1.1
120.05233	0.3
121.10113	0.3
123.04427	0.2
123.08071	0.3
123.11697	0.2
127.03881	1.7
131.08553	0.2
133.06485	0.2
133.10170	0.8
135.08041	0.4
135.11708	0.3
137.05931	0.2
143.08571	0.3
145.06485	0.2
145.10069	0.5
147.04379	100.0
147.11664	0.7
148.04742	2.5
153.12700	0.3
155.10669	0.2
159.07986	0.3
159.11681	0.3
161.09593	0.3
161.13220	0.7
163.11147	0.3
165.05409	0.2
171.11652	0.3
171.13763	0.5
173.13179	0.2
179.10585	0.2
180.06509	0.3
189.09148	0.2
189.12714	1.4
189.14621	0.3
193.08592	0.2
198.07579	0.4
207.13879	0.2
213.12843	0.2
273.07452	1.4
285.14874	0.2
351.10962	0.7
351.18008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1341
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
50.33054	0.2
53.03926	0.9
55.01865	1.2
55.05492	0.3
57.03428	2.3
59.04987	0.4
61.02916	1.8
69.03421	8.8
69.07048	0.4
70.19764	0.9
71.01333	1.1
71.04644	0.2
71.04990	2.9
73.02911	1.2
77.68283	0.2
79.05462	0.6
81.03403	1.7
81.07033	0.6
85.02866	0.5
87.04471	0.3
91.05464	1.0
93.07025	1.7
95.08580	0.3
97.02890	0.8
97.06525	0.4
99.04441	2.3
105.06989	0.7
107.08568	0.9
109.02861	0.2
109.10166	0.2
116.04945	0.3
117.05531	0.7
118.06530	2.9
119.04901	0.8
120.08064	0.5
127.03864	0.5
132.08043	1.0
133.06494	0.4
133.10129	0.5
135.11667	1.9
145.07587	13.4
146.08244	0.7
147.04391	4.2
147.09149	22.1
148.09523	0.6
153.12729	3.2
157.07597	0.8
159.09149	8.2
160.09964	1.6
161.09558	0.2
161.10748	0.7
169.45845	0.2
171.09099	0.3
171.13768	0.5
173.07031	1.2
173.10764	1.2
175.08615	1.6
182.08385	0.4
183.09041	0.2
184.09921	0.9
185.09204	0.3
185.10728	3.7
186.11472	0.8
187.08670	1.0
187.12279	1.1
189.10313	1.2
191.08125	100.0
192.08478	2.3
197.10718	1.5
199.08607	1.2
199.12347	1.4
200.09326	0.2
201.10159	0.6
203.08121	0.3
203.11688	0.3
211.08507	0.2
213.10182	1.9
215.11798	1.7
216.07651	9.0
219.11359	0.3
225.10167	1.2
227.11736	0.5
231.11310	0.5
233.09203	0.6
233.12782	0.4
243.11237	0.7
245.09154	0.6
245.12869	0.5
263.13889	7.3
264.14462	0.2
271.10736	0.9
273.07666	0.3
288.15851	0.9
289.11786	3.6
307.12833	50.3
308.13107	1.7
350.13412	71.2
351.13754	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	350.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86212	0.6
55.01868	0.8
57.03425	1.0
60.99341	0.5
61.02910	1.6
65.03934	3.7
68.99762	1.2
69.03426	3.8
69.96642	1.3
69.97052	2.2
70.06560	0.9
71.04974	0.6
72.08119	0.6
73.02915	0.8
79.05493	0.6
81.03402	1.1
83.04980	2.2
85.02900	11.3
91.03928	0.8
93.03385	1.7
97.02883	4.0
99.04494	0.7
103.03849	0.6
109.02869	1.1
111.03690	1.3
111.04438	22.5
112.04777	0.6
112.08353	0.6
121.04012	1.2
121.31821	0.6
127.03925	2.7
139.03894	71.4
140.04214	1.1
142.40768	0.6
143.12669	0.6
145.04935	3.2
145.06067	0.6
153.05495	0.6
153.09087	0.7
156.04160	2.0
158.08076	0.9
171.06519	100.0
172.06839	1.1
180.08643	2.3
234.98926	0.8
283.73868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01865	0.5
55.05501	4.5
57.03417	0.7
57.07058	1.8
62.79610	0.5
66.79032	0.4
67.05499	5.7
69.07057	8.1
71.04967	1.4
71.08617	0.8
71.62891	0.6
79.05483	4.1
81.07042	8.6
83.04954	1.2
83.08598	3.4
85.06518	1.4
89.06017	0.6
91.05458	3.3
93.07032	5.4
95.04927	1.3
95.08594	8.1
97.06506	1.3
97.10174	1.0
99.08044	0.7
105.07024	2.8
107.04906	0.5
107.08575	5.1
109.06501	8.7
109.10143	3.7
111.08046	1.4
119.08572	3.6
121.06467	0.9
121.10111	3.9
123.08052	56.4
123.11675	1.6
124.08407	1.2
125.09578	0.8
129.24223	0.5
131.08545	1.6
133.10117	3.2
135.08017	3.1
135.11667	2.1
137.09604	3.2
137.13257	0.7
143.08644	0.6
145.10083	1.5
147.11647	1.7
149.09601	1.6
149.13245	1.8
157.10063	0.6
159.11664	1.5
161.13280	1.2
163.11162	0.8
173.13264	0.6
175.14723	0.6
177.12674	0.9
179.14291	13.9
180.14581	0.6
185.13159	0.7
233.19009	0.9
275.19943	2.3
289.25204	0.9
293.21075	15.7
294.21472	0.6
303.26837	0.9
307.22772	0.9
331.26215	2.7
347.84973	0.5
349.24219	3.9
349.27335	100.0
350.27664	5.3
362.81805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	16.3
55.01868	17.0
55.05501	35.9
56.96544	4.4
57.03432	24.4
57.07035	3.1
65.03934	3.6
67.05500	82.7
68.05840	2.6
69.03435	6.7
69.07063	73.6
71.01331	2.6
71.04986	7.8
71.08620	2.9
71.62785	5.2
79.05483	70.9
81.03401	31.4
81.06567	5.2
81.07050	98.2
83.04955	15.9
83.08614	18.9
85.02869	4.2
85.06530	10.9
91.05472	84.5
93.07033	74.1
93.07619	4.3
95.01321	18.1
95.04959	27.6
95.08601	59.4
97.02887	5.0
97.06532	31.5
97.10153	7.5
98.98489	3.4
99.04464	2.6
104.73056	3.0
105.07018	100.0
106.07376	2.9
107.04939	36.8
107.08585	46.4
109.06522	8.6
109.10146	19.4
111.08076	8.9
115.05483	3.0
117.06991	26.5
119.08569	60.8
121.06501	11.3
121.10130	19.1
123.04427	5.0
123.08030	13.1
123.11700	5.8
125.09621	11.1
128.06255	3.8
129.06972	5.5
131.08549	45.7
133.10118	72.4
135.08052	9.7
135.11646	22.1
137.09610	4.0
141.06979	4.6
142.07784	3.4
143.08542	13.8
145.06480	6.0
145.10107	51.2
147.07979	4.5
147.11688	29.4
149.09624	14.9
149.13237	12.7
151.11180	5.3
155.08560	7.2
157.10133	10.2
159.08086	4.5
159.11679	26.2
161.09653	4.5
161.13251	11.8
163.11191	10.3
165.09177	5.2
169.10117	8.1
170.81776	2.9
171.11739	10.9
173.09550	4.0
173.13260	8.8
175.11165	3.0
177.12749	9.8
179.14284	32.3
183.11703	6.3
185.13245	6.2
187.11192	7.0
187.14731	3.1
189.10962	2.6
195.13927	4.9
197.13245	8.5
205.12213	4.9
215.14409	4.2
229.15837	3.1
229.19669	4.7
239.17929	13.7
241.14384	3.9
247.20691	2.8
257.19046	25.5
275.20056	99.9
276.20428	8.6
285.10144	12.2
331.22751	3.2
341.49713	3.0
349.23810	91.7
349.31381	6.3
350.24042	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.0
55.01862	19.0
55.05500	28.1
57.03426	21.5
65.03914	4.0
67.05492	74.4
68.05805	2.1
69.03410	3.7
69.07056	74.9
70.07377	2.4
70.77771	5.7
71.04970	4.4
79.05478	57.7
81.03407	39.9
81.07042	89.7
82.07377	2.6
83.04961	14.2
83.08595	13.2
85.02895	2.3
85.06505	3.7
91.03835	2.4
91.05465	74.4
92.05796	1.8
93.07021	64.5
94.07327	2.6
95.01312	26.7
95.04963	24.3
95.08589	56.6
96.08846	2.1
97.06512	32.1
97.10129	5.6
99.08035	3.7
105.07008	97.8
106.07307	2.5
107.04934	40.8
107.08569	31.6
109.06515	8.5
109.10146	14.9
111.08070	6.3
117.06991	27.0
119.08563	52.8
120.25541	1.9
121.06487	7.5
121.10127	16.2
123.04417	4.2
123.08047	15.1
123.11683	4.6
125.09600	4.8
128.06175	1.9
129.06987	5.2
131.08556	37.5
133.06480	2.2
133.10110	61.9
134.10445	2.2
135.08066	8.6
135.11650	18.7
137.09608	4.1
139.07492	2.8
141.06979	5.8
143.08572	8.7
145.06465	7.2
145.10104	34.7
147.07927	3.0
147.11667	27.0
149.09586	12.5
149.13200	11.1
151.11092	3.1
155.08487	3.1
157.10112	5.8
159.08017	2.6
159.11658	26.4
161.13245	8.8
163.11157	9.5
165.09082	5.2
168.09265	2.1
169.10091	5.7
171.11719	8.5
173.13220	6.3
175.11176	2.6
175.14769	2.9
177.12718	13.8
179.14267	32.0
183.11615	6.2
185.13240	3.5
187.11151	7.1
195.11716	2.5
195.13788	3.1
197.13170	5.8
199.11224	1.8
203.38527	1.9
205.12193	4.8
207.13808	1.8
209.13217	2.3
211.14774	3.1
211.74246	1.9
218.50537	2.1
229.19460	3.5
239.17749	2.8
241.14281	5.1
247.20641	5.0
257.18903	12.9
275.20007	100.0
276.20340	4.8
280.94949	1.8
293.21231	2.2
302.16440	2.1
349.23703	94.8
350.24017	7.1
369.35916	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2366
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.02355	1.6
51.45702	1.5
53.03938	13.3
55.01862	18.9
55.05256	2.3
55.05504	35.6
56.16524	1.5
57.03428	26.4
61.54542	1.5
65.03931	3.8
67.05494	73.8
69.03409	3.9
69.07057	59.7
69.20601	1.7
71.04975	5.6
71.43422	2.1
71.63107	3.5
79.05480	81.4
80.05823	1.7
81.03404	21.2
81.07042	88.4
83.04974	19.3
83.08606	14.4
85.06539	5.7
86.00629	1.5
87.04454	1.6
91.05466	71.7
93.07030	68.5
94.07365	2.1
95.01314	19.3
95.04955	19.3
95.08594	63.1
97.06509	28.1
97.10149	8.0
97.99652	1.9
99.04376	1.8
99.08121	2.9
103.05471	2.3
104.46567	1.5
105.07014	91.5
106.07352	3.2
107.04942	32.3
107.08574	52.9
108.08875	1.7
108.80750	1.7
109.06522	12.2
109.10124	23.9
111.08049	6.8
113.06013	1.7
117.06995	29.9
119.08559	58.5
121.06481	7.1
121.10118	21.1
123.04413	4.7
123.08064	10.9
123.11712	5.1
125.09597	9.8
128.06190	2.1
129.06976	8.2
131.08553	38.1
133.06473	2.7
133.10110	58.8
135.08063	10.7
135.11678	16.5
137.09596	6.5
139.07509	2.1
141.06973	4.9
143.08546	7.7
145.06490	4.0
145.10086	30.5
147.08043	3.7
147.11655	24.7
149.09601	24.5
149.13235	9.5
151.11191	4.6
153.09154	2.1
155.08540	4.5
157.10097	9.3
158.78868	1.8
159.08157	3.5
159.11668	27.8
161.09564	2.5
161.13210	10.9
163.11159	9.0
163.14838	3.2
165.09128	2.9
165.12727	1.9
169.10114	7.3
169.12228	2.0
171.11690	7.6
173.02113	2.0
173.13185	11.3
174.12161	1.7
175.14801	4.3
177.12689	9.6
179.14307	24.4
183.11696	6.5
185.13249	2.9
187.11192	8.7
187.14803	4.0
189.11169	3.4
189.12820	2.3
191.14336	2.3
195.13785	2.9
197.13234	6.8
203.14412	2.0
205.12224	2.4
207.13828	2.5
209.15297	3.1
211.14726	1.6
213.16299	2.0
229.19499	7.5
233.15439	1.8
239.17943	4.7
247.20596	5.6
253.15831	2.4
257.19019	12.9
275.20029	100.0
276.20456	4.0
293.21127	3.1
331.23248	1.6
349.23773	90.6
349.27359	4.0
350.24136	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.185
Annotation	Schizonepetoside E
Peak:m/z	Relative Intensity
52.70546	1.2
53.03924	3.1
55.01861	2.5
55.05501	6.0
57.03418	3.5
57.07061	2.2
59.04976	2.5
61.02900	4.7
67.05492	8.4
69.03416	11.2
69.07059	19.7
69.34032	4.0
69.34455	8.5
69.53470	1.1
71.04981	19.7
79.05480	8.9
81.03407	7.4
81.07043	67.7
83.04967	4.5
83.08611	3.3
85.02886	42.1
87.04482	1.1
87.09054	1.0
87.29275	1.1
89.06016	1.0
91.03931	2.2
91.05457	3.4
93.07024	8.6
95.04936	3.8
95.08581	10.0
97.02872	12.0
97.06516	5.6
97.10165	2.7
99.04458	1.6
99.08069	8.7
100.11217	5.2
105.07000	2.6
107.08585	17.3
109.02869	4.3
109.06457	1.8
109.10131	11.5
111.04485	1.6
111.08053	2.6
111.11697	10.5
121.10123	4.2
123.11688	49.4
124.12009	1.8
125.09611	2.5
127.03914	7.0
133.10115	2.8
135.11644	12.0
139.11169	22.6
145.04942	8.1
151.11169	15.6
153.12740	4.6
157.10214	1.6
157.12225	23.1
159.11607	1.4
169.12210	100.0
170.12579	4.3
179.07118	1.2
187.05852	1.5
187.13263	53.2
187.14934	3.0
193.12283	1.2
221.97340	1.1
249.32693	1.4
276.72760	2.7
315.54895	1.2
323.75531	1.1
324.68436	1.1
333.37106	1.2
349.13657	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	349.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	2.6
52.66814	1.6
53.03942	15.7
55.01867	20.9
55.05256	2.3
55.05503	27.8
57.03428	22.0
57.07069	2.8
59.00168	1.8
65.03912	4.4
67.05497	70.6
69.03395	3.6
69.07056	69.5
71.03809	4.2
71.04134	2.6
71.04984	3.7
74.37710	1.9
79.05483	65.2
80.05808	2.8
81.03408	34.8
81.07048	95.5
83.04959	12.2
83.08617	15.8
85.06537	4.3
91.05468	72.8
91.21554	1.9
92.05792	3.2
93.06458	3.6
93.07032	60.3
95.01324	23.4
95.04343	2.8
95.04948	24.7
95.08595	63.0
97.06517	26.7
97.10159	4.8
99.08059	3.1
103.05448	3.6
105.07014	100.0
106.07332	3.1
107.04944	42.4
107.08574	36.0
109.06491	7.7
109.10159	14.8
111.04417	3.2
111.08045	6.5
117.06994	25.3
119.08569	52.8
121.06490	9.1
121.10119	13.8
122.19605	2.0
123.04395	5.5
123.08054	13.6
123.11728	3.2
125.09608	3.7
128.06165	1.8
129.06976	6.3
131.08551	35.1
133.06444	4.9
133.10112	58.0
134.10379	3.2
135.08034	8.7
135.11662	15.6
137.09619	6.0
141.06966	3.8
143.08556	6.8
145.06436	5.2
145.10118	35.6
147.08037	2.9
147.11658	25.5
149.09631	13.0
149.13217	8.9
151.11166	4.8
155.08519	2.5
157.10124	7.9
159.11671	28.4
161.13217	12.4
163.11194	9.1
165.09087	3.3
165.85645	2.3
169.10126	5.4
171.11746	6.9
173.13239	8.4
177.12724	10.1
179.14313	38.0
180.14548	2.5
183.11633	6.0
185.13190	3.5
187.11130	9.4
187.14819	2.3
191.14363	1.8
195.13725	4.8
197.13249	5.9
205.12265	4.0
219.13707	3.0
229.19485	4.3
239.17941	7.1
241.14320	3.3
247.20534	4.7
257.18961	11.5
275.20041	89.0
276.20346	5.9
293.21310	3.1
314.42001	2.0
349.23712	84.4
349.27863	5.1
350.24194	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	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52929	1.4
55.01855	1.4
55.05523	1.6
56.96552	6.5
57.03425	2.8
58.06636	1.4
61.02895	2.1
68.05031	1.5
69.03412	9.4
69.07056	7.2
70.06563	2.4
71.04975	3.0
71.60866	2.0
72.70967	1.3
73.02909	1.8
77.93596	1.2
81.03401	3.9
81.07045	4.8
83.04973	4.5
84.08138	1.6
84.96033	1.6
85.02885	16.9
86.03218	1.8
86.05991	1.5
87.04441	1.6
91.05445	1.6
95.04937	1.9
97.02865	8.8
98.97569	21.8
99.04435	4.7
101.00855	4.0
103.02365	1.5
105.07012	2.0
107.04963	3.0
107.08604	3.3
108.05251	1.3
109.02893	2.8
109.06504	1.8
110.07126	1.9
110.97578	6.1
111.04420	1.5
113.00899	2.6
116.98606	11.5
119.01902	16.1
121.02878	3.6
123.04443	2.4
123.11717	2.3
124.02722	1.2
124.07576	1.2
126.13260	1.4
127.03902	6.2
128.98593	5.6
130.06514	1.7
131.01894	17.4
133.03470	4.3
134.05994	1.4
134.99673	4.0
136.06142	3.4
137.05777	1.5
143.00172	2.5
143.01895	3.8
145.03513	6.7
145.04924	3.9
146.99605	2.9
147.04446	4.6
149.02945	2.9
151.07507	1.6
151.11227	2.1
152.98618	2.1
155.01895	5.0
157.03468	2.0
158.99709	4.8
159.03178	1.9
160.07632	1.7
161.01215	5.9
161.02943	7.0
161.06573	5.3
163.02638	3.1
163.03931	2.8
163.08168	3.1
165.05518	2.1
167.07027	6.0
169.04887	1.6
169.07043	2.9
169.08513	1.4
169.12210	5.4
170.99689	3.4
173.02924	6.2
177.00652	6.5
181.07112	3.2
185.02910	1.6
187.04425	2.8
187.08112	17.8
188.03600	1.8
188.78998	1.4
189.00620	3.6
199.08121	27.9
201.00697	3.4
201.09740	3.2
205.03760	3.8
205.09178	8.9
209.06535	1.6
211.08131	2.9
217.09200	8.8
219.01709	21.4
221.04962	17.3
223.08119	2.1
229.09186	4.6
235.92001	1.4
237.02802	37.8
239.07701	5.3
241.09277	6.0
247.04642	2.9
259.08310	1.7
262.42575	1.5
265.05731	2.3
287.09824	2.3
289.11276	59.7
290.11417	2.1
291.07480	1.6
303.07330	13.8
307.12299	48.2
308.12729	2.1
321.08548	30.1
331.12796	1.9
340.10843	2.2
344.10211	2.2
349.08780	100.0
349.13541	13.2
367.09012	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99533	1.5
61.02895	1.6
63.79009	1.8
69.03398	4.6
71.17300	4.3
73.03071	1.4
85.02885	6.6
97.02846	2.6
101.00804	1.8
115.74578	1.4
119.01894	3.9
131.83018	1.8
145.04907	1.9
157.03378	2.6
160.24609	1.5
194.07077	17.5
194.57208	1.9
223.06532	5.6
247.03008	2.3
349.05151	34.7
349.08893	100.0
350.09399	3.5
353.09250	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91101	2.1
53.47366	1.8
61.02924	4.5
69.03411	6.3
71.61190	3.9
81.03414	2.9
85.02895	12.9
97.02869	4.2
101.00864	4.6
119.01908	10.2
121.02830	3.1
127.03903	3.3
131.01900	3.8
133.03381	2.2
135.35503	2.8
139.04164	3.9
143.01860	4.0
145.03398	3.7
148.04713	2.7
157.03452	7.0
161.02963	3.8
166.91698	2.3
194.07114	24.1
194.57349	4.2
205.02000	2.1
215.00352	4.3
223.06653	9.2
229.01981	2.8
247.02919	7.9
265.07605	4.7
349.05234	18.7
349.08945	100.0
350.09335	5.8
353.09180	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	348.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01855	0.5
57.03424	1.2
61.02918	2.5
65.03932	0.7
69.03423	4.0
71.00918	1.0
71.04951	0.8
73.02894	1.5
79.05503	0.6
81.03394	1.7
81.07027	0.7
85.02890	19.1
87.04462	1.3
91.03929	1.1
91.04883	0.6
91.05464	11.8
95.04960	2.6
97.02878	5.4
99.04454	1.2
105.06982	0.4
109.02834	1.4
119.04929	11.5
120.05231	0.6
121.02862	0.8
123.08022	1.3
124.07572	1.6
127.03888	3.2
136.05159	1.3
136.06120	0.8
137.06001	1.0
138.09070	0.8
145.04944	5.8
151.07520	100.0
152.07851	1.9
163.06000	0.6
165.09082	0.6
168.10179	1.3
169.08580	12.6
180.08664	1.8
186.11273	2.3
192.00917	0.5
193.08588	1.1
217.08482	0.5
233.28365	0.4
241.84917	0.5
277.10672	0.6
295.11667	0.6
348.05118	0.6
348.13068	0.6
348.16956	0.7
349.08853	0.7
349.13242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
56.96569	0.7
57.03420	1.7
60.04502	1.5
61.02906	2.0
67.05493	2.5
68.94191	0.6
69.03428	7.5
69.07063	36.2
70.06586	3.8
70.07365	0.8
71.04983	1.6
71.61256	0.7
73.02909	1.4
75.59086	0.7
79.05469	0.9
81.03403	2.4
81.07040	1.0
83.04975	1.2
84.04483	1.3
84.08125	1.4
85.02898	17.4
85.06582	0.6
86.09681	1.6
87.04459	1.1
91.05492	1.5
93.07043	1.3
95.04971	3.0
95.08616	0.8
97.02888	10.2
97.06539	5.0
98.97578	2.3
99.04455	2.2
102.43228	0.6
103.03977	0.9
105.07024	1.9
107.04965	1.1
109.02875	3.8
109.06484	1.2
110.06044	1.5
111.04438	1.6
112.07588	6.0
116.07069	0.8
116.98598	0.6
119.01933	0.7
119.04957	1.3
121.02871	1.0
121.06475	0.7
122.06013	0.7
123.04446	3.4
123.08072	0.7
124.07574	2.5
127.03907	6.2
128.04219	0.7
129.05412	0.7
130.06529	0.9
131.01994	0.6
132.95766	0.8
133.06448	0.8
135.04398	0.8
136.06180	35.5
137.05940	1.9
140.07056	42.7
141.05479	1.5
141.07423	1.1
142.08633	0.7
143.01886	0.6
145.04939	2.3
147.04393	2.7
151.03862	1.7
151.07535	3.7
154.08611	1.7
161.02948	0.9
162.03072	0.6
163.03862	1.1
167.07048	0.8
168.06552	100.0
168.10217	1.8
169.04994	3.4
169.06853	3.2
169.08588	3.1
182.06796	1.0
182.08139	9.9
186.07619	22.4
186.11177	6.8
187.04387	0.7
201.12325	1.1
206.07941	0.8
210.07616	17.0
228.08661	1.5
234.07552	2.9
237.02715	0.8
248.09224	0.9
252.08687	0.8
260.10428	0.6
264.08746	1.1
276.09039	1.3
294.10086	1.0
330.11588	1.8
348.07092	3.1
348.13208	3.2
348.16937	1.5
349.08960	2.9
349.13855	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01849	0.8
55.05489	0.8
57.03397	1.7
58.14400	0.7
61.02905	1.6
69.03403	2.8
69.07040	1.1
71.62332	1.0
71.72749	0.7
73.02911	1.2
79.05478	1.0
81.03400	2.6
81.07023	2.5
83.04964	1.3
83.08591	1.5
85.02419	1.0
85.02890	12.6
87.34462	0.7
93.07008	2.6
95.08621	1.1
97.02859	2.8
97.06527	1.3
99.04383	1.0
105.06996	2.5
107.04886	0.8
107.08578	1.8
108.66243	0.7
108.69778	0.7
109.02850	3.7
110.03675	1.3
113.05985	0.9
116.48055	0.8
121.06455	3.9
123.08035	1.0
123.11655	1.3
127.03870	4.2
133.10104	3.8
136.06119	1.3
137.02309	79.0
138.02644	2.1
145.04953	3.7
151.11174	2.0
169.04926	100.0
169.12267	2.5
170.05296	2.3
174.05505	1.6
186.09108	3.2
186.15601	1.0
187.13266	0.9
197.22078	0.8
348.21561	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2208
Annotation	Cespihypotin P
Peak:m/z	Relative Intensity
55.01822	0.7
55.05441	1.2
56.96515	0.4
57.03385	0.5
57.07019	0.3
57.57884	0.3
67.05415	2.5
67.05817	0.5
69.03336	3.0
69.06980	2.9
70.82171	0.9
79.05396	2.9
81.03332	0.6
81.07040	7.6
81.14109	0.3
82.07290	0.3
83.04882	1.1
83.05315	0.3
83.08573	0.4
85.06449	0.8
91.05460	3.4
93.07030	6.4
95.04868	1.2
95.08598	5.0
97.06508	1.9
103.05417	0.5
105.07010	4.6
107.04947	2.2
107.08579	6.3
109.06498	1.6
109.10123	1.8
111.07988	0.5
115.05367	0.4
117.07000	2.5
119.04845	1.1
119.08562	3.9
121.06477	1.4
121.10117	4.2
122.88391	0.3
123.07953	1.2
123.11614	0.6
124.01525	0.3
125.05914	0.6
125.09515	0.5
129.06888	1.1
131.08559	2.5
133.06358	0.5
133.10103	3.7
135.08031	14.4
135.11644	2.1
137.05855	0.8
137.09502	1.1
139.03853	0.4
141.06879	0.6
142.07632	0.5
143.08557	2.6
144.09251	0.4
145.06395	0.4
145.10109	4.7
147.07933	1.4
147.11656	2.8
149.09615	3.3
149.13165	2.4
151.11079	0.8
155.08548	0.6
157.08971	0.3
157.10104	3.5
159.07941	1.2
159.11671	8.1
161.09593	5.2
161.13155	0.8
163.11134	1.5
165.05354	0.4
165.09024	0.6
167.08455	0.6
169.10106	2.3
171.07945	1.0
171.11649	3.1
173.09622	3.6
173.13145	1.4
175.07552	0.4
175.11165	2.7
175.14722	0.3
177.12703	3.5
179.10542	0.6
181.09991	1.3
183.11740	2.1
185.09578	1.8
185.13249	1.8
187.11134	1.6
187.14758	0.7
189.12700	1.5
191.10529	0.5
193.08525	0.4
193.12074	0.4
194.10793	0.5
195.11656	2.2
197.09476	0.4
197.13170	2.2
199.11154	1.9
199.14888	1.5
201.09145	0.4
201.12718	2.1
203.08382	0.4
203.10486	0.5
203.14244	0.6
203.17816	0.3
207.11641	0.5
209.13242	3.4
210.13869	0.5
211.11206	0.4
211.14693	1.0
213.09126	0.4
213.12759	1.9
213.16246	1.1
215.10585	1.0
215.14194	1.3
217.12088	0.7
219.11588	0.6
219.13628	0.5
221.13181	0.4
222.13905	0.5
223.14751	2.1
225.12712	0.5
225.16292	0.7
226.13423	0.4
227.10631	0.7
227.14252	3.5
229.15820	0.5
231.13727	0.8
235.14613	0.6
236.15514	0.7
237.12613	0.8
237.16292	0.7
239.14247	0.5
239.17876	0.4
241.15848	2.1
241.19429	0.6
243.17400	0.8
245.15295	2.4
247.14767	0.5
249.16495	0.4
250.17084	0.4
251.14217	0.6
251.18005	2.0
253.15858	0.6
255.13683	0.8
255.17412	0.9
255.20981	0.7
259.16983	1.7
260.15546	0.5
265.19452	2.7
269.15570	2.7
269.18799	3.0
273.18561	0.5
275.17874	1.5
283.20438	3.9
285.18484	0.4
287.16367	1.0
287.19974	2.9
293.18857	2.9
301.21545	11.2
302.21826	0.5
311.16400	0.6
311.19962	10.2
312.20343	0.5
329.21042	100.0
330.21368	4.3
347.22119	32.2
348.22437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1675
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
53.03934	0.4
55.01861	0.5
55.05484	1.0
56.80849	0.3
57.03422	0.9
58.61628	0.4
61.02905	0.4
62.35457	0.3
63.26779	0.4
67.05501	2.3
69.03417	2.0
69.07059	0.6
71.04961	0.6
71.29191	1.0
75.59614	0.3
79.05471	1.7
81.03397	1.2
81.07029	2.6
83.04951	1.0
85.02904	2.1
85.06588	0.4
87.04527	0.4
91.05469	0.6
93.07010	1.7
95.04952	1.1
95.08575	1.4
96.09023	0.4
97.02876	0.6
97.06507	0.8
99.04453	0.3
99.08034	0.5
105.03368	0.4
105.07010	0.8
107.04921	0.5
107.08562	1.2
109.02873	0.5
109.10140	5.0
111.04413	1.4
111.08103	0.4
112.05087	0.9
117.06969	0.4
119.08559	0.8
120.08049	0.5
121.06511	0.4
121.10139	3.8
123.11699	0.9
124.07552	0.4
125.09592	0.8
127.03899	0.8
127.07510	0.4
129.05437	1.2
131.08554	0.5
133.10141	0.5
133.94820	0.4
136.07541	2.4
137.09601	7.2
138.12688	0.5
139.11192	1.0
145.01669	0.4
149.09612	0.6
149.13173	0.5
155.10605	0.8
164.07056	2.1
165.09094	6.0
166.09439	0.4
167.07018	1.2
167.10652	1.4
167.14297	0.8
169.12189	0.6
183.10016	0.5
185.07065	1.1
185.11658	2.5
185.13474	0.6
185.15323	1.3
201.11253	0.7
205.10361	0.4
231.06616	0.6
263.34326	0.4
269.09058	0.8
273.08807	0.4
283.10635	0.5
303.17621	1.7
311.10236	1.5
311.14792	0.9
329.11230	2.2
329.15771	1.2
344.79358	0.5
347.12607	5.3
347.16696	100.0
348.13144	0.5
348.17102	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	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01865	4.5
55.05501	19.3
55.51442	1.0
57.03433	6.0
57.07068	1.2
59.04983	1.9
61.02922	1.4
62.55763	1.1
65.03922	1.6
67.05495	54.0
69.03413	5.3
69.07061	18.5
71.04984	4.7
71.62626	1.0
79.05479	20.5
81.03400	3.8
81.07045	34.8
83.04961	4.4
83.08606	14.0
85.02885	3.7
85.06520	3.5
91.05468	18.9
93.07033	22.0
95.04959	6.5
95.08593	23.6
97.02876	3.3
97.06526	9.2
97.10156	12.8
99.04421	1.1
99.08057	1.7
101.02377	1.5
105.07015	18.5
106.07355	1.0
107.04945	3.5
107.08581	25.0
108.08894	1.3
109.02843	1.4
109.06505	3.7
109.10139	55.5
110.10477	3.4
111.04440	1.0
111.07209	0.8
111.08038	4.9
115.03920	1.7
117.07005	4.8
119.04908	1.7
119.08569	20.2
120.05667	0.9
121.06468	5.3
121.10131	11.6
123.04399	1.3
123.08029	3.9
123.11694	3.0
125.09604	9.6
126.64826	1.0
129.05472	1.1
129.06985	2.2
131.08546	9.1
132.05287	0.9
133.06517	1.5
133.10110	16.1
135.08012	2.8
135.11644	5.7
137.05989	4.7
137.09583	5.9
139.03888	3.9
139.11107	1.2
140.59837	1.0
141.06972	1.4
143.08519	5.0
144.09163	1.3
145.06487	1.0
145.10089	12.3
147.08018	1.9
147.11664	9.1
149.09610	6.3
149.13237	7.8
151.11169	2.4
153.09091	1.5
155.08531	3.7
155.10643	14.8
157.04922	3.5
157.10098	7.0
159.11682	11.8
161.09590	1.6
161.13231	3.8
163.11101	2.7
165.05408	1.5
165.09068	2.4
167.07031	1.2
167.10631	1.4
169.10104	4.6
171.06548	1.6
171.10284	1.5
171.11690	4.9
173.11722	100.0
174.12067	3.0
175.11134	1.9
175.14807	1.9
176.10695	1.4
177.12773	2.7
179.14284	1.8
181.12111	1.1
182.10796	1.1
183.11659	3.0
185.09540	1.2
185.13205	2.2
187.07469	1.0
187.11102	1.7
187.14757	1.3
189.11182	14.8
189.12714	1.3
189.16345	1.2
190.14313	1.7
191.07056	2.3
191.10693	1.4
191.14275	2.0
193.12181	1.3
193.66690	1.1
195.13768	12.6
197.13257	3.6
199.14790	1.7
201.16367	3.7
203.12683	1.3
203.17914	2.1
204.10066	1.5
207.13594	1.1
209.13260	1.3
211.14841	1.4
213.14662	7.5
213.16429	3.6
215.10727	2.9
215.17892	1.2
225.16350	2.8
227.17924	2.9
229.19481	2.1
233.11716	3.5
237.07635	1.1
239.17934	4.2
243.17404	1.9
253.09804	1.1
255.17526	1.2
257.18951	5.8
269.19135	1.8
273.18439	1.1
275.20044	35.6
276.20334	2.8
293.21179	9.5
302.17361	6.5
303.17749	1.2
311.16397	2.7
311.19971	3.3
314.11041	2.0
329.12579	4.8
329.17365	3.5
329.20975	9.2
336.24490	1.0
346.20282	6.7
347.18588	1.6
347.22189	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36177	0.3
54.11677	0.3
57.03423	0.6
57.07065	0.8
61.02918	0.7
67.05502	1.1
69.03427	1.7
69.69675	0.9
69.70093	1.9
70.99849	0.4
73.02907	0.5
77.00905	0.4
81.03395	0.7
82.99797	2.0
85.02890	3.5
85.06561	0.4
87.04441	0.4
89.00896	0.4
91.03932	0.4
97.02880	1.9
98.20758	0.4
98.97595	0.6
101.00874	11.0
101.01550	0.7
103.02422	0.8
105.47854	0.4
106.40778	0.4
108.08116	0.4
109.02889	0.4
112.96186	0.4
113.00866	0.6
115.02399	0.5
119.01913	22.6
120.02004	0.9
123.04413	0.6
127.03918	1.0
131.01889	1.9
131.04855	0.5
136.06189	4.0
136.07269	0.5
137.02979	2.2
137.05974	1.1
137.07872	0.9
139.09453	0.8
143.01891	79.4
144.02005	5.0
145.03474	1.3
145.04959	0.7
149.02908	0.5
155.01833	1.7
157.03508	0.7
159.87741	0.4
161.02948	100.0
162.03081	6.9
165.05486	0.7
167.05707	0.4
167.06978	2.1
173.02945	2.5
175.04489	0.5
177.05493	0.6
179.04024	0.7
184.04588	2.5
184.09782	0.5
185.02975	0.8
185.06665	1.5
185.10022	0.6
197.06540	1.0
197.08165	1.2
199.65964	0.4
203.03998	48.7
204.04176	3.8
209.06439	0.6
209.08128	0.5
215.07751	0.5
221.04953	2.0
225.05998	0.4
227.07495	1.8
244.04329	0.5
245.04729	0.7
267.07065	0.6
287.09744	24.3
288.09958	3.3
303.43002	0.4
305.10797	2.0
347.11835	5.1
347.15350	1.2
348.12222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04998	1.9
56.81549	1.7
57.03429	2.3
61.02924	2.1
65.93478	1.6
67.32938	1.5
69.03400	6.7
69.71774	12.5
73.02915	2.0
85.02882	10.3
92.09843	1.9
98.20787	2.6
103.88496	1.6
119.01959	4.4
122.71714	1.8
127.03835	2.4
143.01894	2.0
145.04987	3.3
147.04381	7.4
154.69247	2.0
157.03468	4.4
163.03877	10.6
166.04948	7.2
166.08611	3.1
171.75829	2.0
184.05975	12.2
184.09648	2.1
189.98625	2.0
194.07251	2.4
214.08194	2.5
223.06642	3.6
241.07480	2.1
245.05104	2.2
265.07742	2.6
303.47089	1.8
346.08945	100.0
346.13379	3.8
347.07065	8.6
355.17038	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
54.17722	0.9
54.43722	0.9
55.01867	3.8
55.05509	2.4
55.36883	1.0
57.03419	5.0
58.66141	1.1
59.04994	1.1
61.02920	9.0
63.86964	1.2
64.90621	1.2
66.92509	1.0
69.03417	17.7
70.06607	1.4
70.34435	3.7
71.04987	3.6
73.02912	2.6
79.57224	1.0
81.03409	8.1
84.04505	1.4
85.02894	100.0
85.06516	2.0
86.09676	3.6
87.04449	2.6
91.03946	4.1
91.05481	1.9
93.07006	1.4
95.08595	1.6
95.31991	1.1
97.02882	28.1
99.04454	4.7
101.02414	1.4
103.03928	1.6
103.05426	1.8
107.04941	64.0
108.05186	1.3
109.02843	8.6
115.03911	2.3
121.06515	4.3
121.10194	1.2
124.07517	1.2
127.03897	22.8
131.04866	1.9
135.04471	1.2
137.06003	1.3
138.09103	1.2
145.04939	40.0
147.04410	4.2
148.04720	1.8
149.05978	32.0
149.07109	2.3
163.03900	4.9
163.05980	6.6
163.07353	1.2
164.04205	3.6
165.05481	2.4
166.05890	1.4
166.08676	3.1
167.07042	21.0
173.05978	3.3
180.08650	24.0
180.10091	1.8
183.07951	1.1
184.04370	1.3
184.09682	8.8
185.11723	2.9
187.07336	2.1
195.02834	1.4
199.18146	1.1
202.10698	2.3
215.07021	6.8
233.08101	7.8
257.08167	4.0
272.10434	2.1
275.09119	4.3
301.12405	2.0
311.11240	1.4
346.10748	2.2
346.14859	8.1
346.18689	1.2
347.13025	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	345.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01848	5.0
55.05259	1.3
55.05502	17.3
55.97380	1.1
57.03430	3.0
57.07064	9.4
59.04975	2.7
59.37221	1.1
60.04529	1.5
67.05490	29.6
69.03403	5.6
69.07055	51.8
71.04974	5.7
71.08615	3.4
71.62594	2.0
73.06524	2.2
79.05481	12.5
79.84203	1.1
81.02970	1.4
81.03399	13.5
81.07043	100.0
83.05002	1.5
83.08604	18.7
85.02876	5.1
85.06528	18.4
87.36940	1.1
91.05444	5.3
93.07030	26.4
95.04941	5.2
95.08587	67.6
97.02863	1.7
97.06507	8.9
97.10131	6.0
99.04448	2.0
99.08054	8.4
105.06989	9.2
107.04921	1.7
107.08579	24.9
109.02848	9.1
109.06496	2.9
109.10139	49.4
110.10437	2.2
111.04409	1.7
111.08060	19.8
111.11693	14.0
115.07533	1.6
117.06985	1.9
119.08549	8.2
121.10117	18.1
123.11686	33.4
125.09605	4.3
125.13236	2.3
127.03896	3.6
127.11175	2.8
131.04915	2.1
131.08601	2.1
133.10126	5.4
135.08067	1.5
135.11662	14.3
137.02327	5.2
137.09596	36.3
137.13235	23.7
138.09918	1.5
139.11124	3.6
143.08516	1.4
145.10078	1.6
147.11636	3.5
148.07559	2.6
149.12007	2.6
149.13232	28.8
151.03952	1.5
151.14787	2.6
153.12712	14.2
155.10634	3.0
155.14294	9.0
159.08072	1.5
161.13246	3.1
163.03819	1.4
163.14807	5.9
165.09085	31.9
165.12708	3.1
166.09393	2.3
167.14288	7.1
171.07986	1.6
171.13753	2.5
173.06145	1.3
173.15384	2.7
176.07048	22.3
176.10660	28.2
177.11478	5.0
177.16376	2.5
179.14255	1.3
183.10123	2.4
189.09215	1.3
190.08611	1.4
191.07002	3.5
191.17928	2.4
201.11191	3.3
204.10161	10.5
205.10956	19.1
206.11703	1.9
271.05966	2.7
273.13495	3.3
273.25784	1.8
279.26965	6.3
285.11087	1.7
291.26736	8.3
297.27841	3.2
299.05490	5.0
299.08771	1.7
302.04111	4.0
302.17453	83.3
309.27808	21.7
313.10623	5.5
315.04990	2.8
316.05685	4.3
327.05063	1.7
327.14340	4.4
327.28903	2.8
345.06024	49.4
345.13297	5.5
346.06390	7.8
346.20062	46.7
356.22998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1538
Annotation	Grevilloside D
Peak:m/z	Relative Intensity
53.03937	3.9
55.01875	1.6
55.05497	2.6
57.03423	2.3
58.48846	0.7
63.82786	0.6
67.05494	23.9
68.22784	0.6
69.03070	0.8
69.03420	10.8
69.07050	2.1
70.12219	2.5
71.04979	2.4
73.02885	0.9
79.05474	2.8
81.03403	26.9
81.07043	15.7
83.04972	0.9
85.02887	8.6
85.06551	0.9
85.41766	0.8
91.05456	3.1
93.07031	4.7
95.04959	5.5
95.08594	8.5
97.02888	4.6
97.06542	1.5
99.04438	3.7
99.08094	1.9
103.05460	0.7
105.07030	1.3
107.04913	0.9
107.08572	4.6
108.96458	0.8
109.02860	14.1
109.06464	3.2
109.10141	55.5
110.10457	1.1
111.04408	1.2
117.07033	0.7
119.08559	3.7
121.10152	1.6
123.11667	1.1
125.05968	2.2
127.03889	6.8
131.04895	1.8
135.08040	2.3
137.06009	1.5
137.09593	100.0
138.09923	2.5
139.11090	1.0
140.07097	1.0
145.04988	1.2
147.11690	1.9
149.09596	1.0
155.10638	9.3
163.07539	1.6
165.09087	78.3
166.09416	2.1
174.55315	0.7
177.09143	0.9
183.10175	6.6
183.13791	6.9
184.13176	1.3
191.07019	1.6
201.11176	9.0
208.35039	0.7
227.79079	0.6
253.08549	1.1
281.14188	0.7
285.11234	0.9
290.46313	0.7
295.09384	1.3
299.09265	0.9
302.17511	0.9
309.13318	5.3
313.10727	6.0
314.11371	1.0
327.14337	18.8
345.13229	5.2
346.20108	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.154
Annotation	Grevilloside D
Peak:m/z	Relative Intensity
52.23530	0.7
53.03930	2.8
55.01860	1.4
55.05493	3.3
57.03434	1.2
59.47940	0.6
65.03949	0.7
66.79269	0.7
67.05494	23.0
69.03425	10.9
69.07054	2.8
70.91651	1.4
71.04974	3.4
71.78338	0.7
79.05479	3.1
81.03405	29.4
81.07050	15.6
82.88182	0.7
85.02895	6.7
91.05465	2.7
93.07045	3.9
95.04955	5.2
95.08591	9.3
97.02883	3.4
97.06522	1.6
99.04420	3.9
99.08060	1.4
103.05427	0.7
105.07037	2.0
107.08581	4.2
109.02869	15.0
109.06488	2.3
109.10143	51.9
110.10461	0.9
111.04340	0.7
111.08057	0.7
119.08561	5.2
121.06497	0.8
121.10139	2.4
123.04445	0.8
123.11692	0.9
125.05968	2.7
127.03899	7.8
129.06992	1.2
131.04851	1.7
131.08548	0.8
135.07983	0.8
137.09596	100.0
138.09917	2.9
147.04312	1.2
147.07910	0.8
155.10632	9.2
156.05643	0.7
159.08054	0.9
159.11679	1.1
161.05911	0.8
165.09091	77.0
166.09441	1.6
169.10077	1.1
171.07993	0.8
171.11722	0.7
176.07071	3.8
176.10681	7.9
177.09126	0.7
179.08549	0.9
181.06602	0.9
183.10146	5.4
183.11566	1.1
183.13768	1.0
191.07010	2.3
201.11168	8.2
201.12794	1.0
204.10236	2.7
205.11009	4.3
210.06717	0.8
224.08334	1.0
270.08875	0.9
271.09619	0.7
273.13596	2.0
282.40894	0.8
295.09601	0.9
296.78864	0.6
299.09116	2.0
299.12427	0.7
302.17480	29.6
302.20917	1.5
309.13318	6.6
313.10620	4.1
313.14056	0.6
327.14459	16.7
327.18460	1.2
345.13184	4.9
345.20706	2.2
346.20081	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	345.242
Annotation	(+/-)-10-HDoHE
Peak:m/z	Relative Intensity
51.07079	1.9
53.03934	2.2
54.16850	1.7
55.05502	9.7
57.07051	3.1
62.76124	1.9
65.24575	2.1
67.05490	24.5
69.03401	1.9
69.07058	12.7
71.04980	2.2
71.62461	2.6
79.05482	17.4
81.07047	52.4
83.04967	2.5
83.08613	4.6
85.06512	3.5
88.07617	5.3
88.37462	1.8
91.05468	16.4
93.07032	51.4
93.68105	1.9
95.04977	3.3
95.08598	65.5
97.06528	4.9
97.10155	6.0
99.04434	4.1
105.07022	65.6
107.08573	37.6
109.06489	3.9
109.10143	35.9
111.11713	3.7
111.96761	1.8
113.96378	9.4
117.06994	11.7
119.08559	35.8
121.06466	5.7
121.10129	43.8
123.11690	13.1
125.09615	2.1
128.06216	2.2
129.07008	9.5
131.08554	39.9
131.47058	1.8
131.97438	9.7
133.10114	76.9
134.10510	2.5
135.08049	3.2
135.11676	29.1
137.09586	3.1
137.13249	5.9
142.07742	4.0
143.08527	15.5
144.09306	3.4
145.10100	32.2
147.11667	62.7
148.12013	2.4
149.09634	10.6
149.13249	27.4
150.13683	1.9
152.99493	2.6
154.99011	12.3
155.08516	3.6
157.10114	31.5
158.10738	2.3
159.11662	44.2
161.13234	23.2
163.11142	9.5
163.14815	4.2
169.10095	6.8
169.62244	1.9
170.10931	2.8
171.11656	22.0
172.12289	2.1
173.09547	2.2
173.13254	17.9
175.11185	7.3
175.14819	13.8
177.09061	6.1
177.12668	2.8
179.10487	3.1
182.10930	1.9
183.11667	5.4
185.09608	3.3
185.13205	16.4
187.11099	2.7
187.14819	13.0
189.16365	6.6
191.10634	12.3
191.14258	2.5
193.12206	2.2
195.10150	10.9
195.11656	2.5
197.13229	5.7
199.11110	3.5
199.14789	15.9
201.16333	8.3
203.10645	11.5
203.17969	3.8
205.12193	7.9
209.11674	27.3
211.14752	5.8
213.16385	4.5
215.17973	6.2
217.12263	14.0
217.15808	5.2
219.13779	8.1
221.11626	5.9
225.16365	7.2
227.17938	13.9
228.18503	1.9
229.19444	3.6
231.13808	9.6
233.15288	3.2
235.13110	2.7
239.17886	2.4
245.15353	7.9
253.19452	11.3
263.16382	7.6
271.20490	2.9
281.22595	35.1
283.24179	23.8
299.20398	3.2
299.23615	21.2
309.22150	20.6
315.04926	3.9
327.23148	100.0
328.23401	5.9
345.09589	5.4
345.20587	4.9
345.24179	90.6
345.31448	6.5
345.35495	4.3
346.24557	7.4
346.32843	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	345.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
57.03424	0.4
61.02901	0.6
63.02364	0.7
67.05483	0.4
69.03423	1.6
71.06150	0.9
75.06701	0.3
79.05474	1.2
81.03400	0.4
83.04975	0.5
84.08110	0.3
84.51385	0.3
85.02892	2.9
86.03223	0.4
89.03895	5.2
91.05450	0.6
93.07019	0.3
95.04942	0.5
97.02867	0.8
99.59208	0.3
103.03865	0.4
107.04954	2.0
107.08566	1.2
111.04387	0.4
117.02606	0.5
117.03372	7.2
119.04956	0.6
119.08530	0.3
120.05266	0.8
121.10110	0.4
127.03939	0.4
129.05453	0.5
135.04398	16.3
135.08003	1.1
136.11493	0.3
137.05942	1.8
138.37947	0.3
139.02112	0.5
145.02826	11.4
145.03979	0.6
145.04936	0.5
147.04361	3.6
147.06453	0.5
147.07964	0.4
148.04723	5.0
149.05992	0.5
153.09076	0.9
161.09625	0.3
163.03879	100.0
164.04216	1.1
165.01868	0.4
165.05455	2.5
165.07562	0.4
165.09059	1.2
165.12628	0.3
166.05814	2.9
167.06946	0.3
183.13782	0.4
186.05565	0.3
189.09045	0.6
308.14920	0.4
313.10721	0.4
345.15002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01800	1.9
57.03358	2.0
61.02845	2.4
69.03345	6.6
69.74422	2.2
69.74845	1.7
70.06513	0.6
71.01273	0.7
71.04899	0.7
73.02824	2.0
73.03206	0.6
81.03326	2.1
83.04913	1.0
85.02897	12.5
85.03370	0.7
87.04398	1.3
91.03886	1.0
97.02891	4.6
98.98463	3.6
99.04387	1.0
101.00800	1.1
109.02790	1.8
109.29346	0.6
113.10225	0.6
115.03874	0.9
119.01926	3.1
127.03899	5.9
131.01851	1.5
133.03413	1.0
137.02914	0.7
138.96344	0.7
143.01862	2.8
145.03404	2.1
145.04886	1.9
155.01833	1.9
156.97455	6.3
157.03368	0.9
158.97174	1.9
161.02951	3.1
167.01830	1.2
169.03366	1.1
173.02859	2.7
174.98528	6.2
176.98347	1.2
177.00989	4.0
180.97409	0.8
181.01680	0.6
183.04962	1.4
185.02901	2.3
185.28931	0.6
185.99829	1.2
187.04454	0.8
189.02481	0.7
194.98926	1.4
197.02925	0.8
198.98506	10.3
199.98337	0.8
200.98256	6.4
201.00882	1.7
202.94373	1.2
203.03932	2.4
206.99103	0.9
209.00722	0.7
209.02805	0.6
210.98497	0.8
212.98198	1.3
213.00084	13.1
214.96494	14.9
215.04126	0.7
215.96573	0.7
216.99533	2.0
217.95868	1.0
217.99829	0.6
218.99834	1.3
219.01968	37.3
220.02022	3.3
221.05003	1.6
222.98460	1.1
224.98215	2.5
225.00084	2.7
230.99139	1.3
231.01097	2.1
234.06456	1.2
236.46190	0.7
236.93698	1.3
237.44038	0.8
237.93628	0.7
238.96523	5.0
239.96371	1.1
242.03540	2.5
242.99290	5.3
245.05049	4.9
245.94141	2.4
245.96954	0.6
246.05110	1.0
246.94170	1.1
252.96233	0.8
254.94707	0.7
255.07126	0.9
256.97556	79.2
257.94287	1.3
257.97650	8.0
258.94321	1.2
258.97983	1.0
262.96582	2.2
263.06122	0.9
264.07700	5.0
264.57803	1.6
275.06076	1.0
276.91943	2.3
277.41946	1.4
279.99045	1.8
280.97409	5.4
285.02554	3.3
285.92569	0.8
286.42670	0.7
287.06143	0.9
292.94431	0.9
297.93069	1.0
298.98566	100.0
299.98752	9.9
300.99030	0.7
301.95071	1.3
303.03320	9.7
303.47009	0.7
305.07239	1.6
310.94028	1.1
311.92548	1.1
312.42331	1.1
317.92267	0.7
319.44836	1.1
320.92932	1.4
321.04379	4.2
321.95258	1.1
322.00000	9.2
322.95306	0.7
323.00018	0.9
326.04688	0.7
327.02301	0.9
330.95087	1.6
331.45395	0.9
332.92700	0.8
339.94315	1.8
340.94321	0.8
345.00540	1.2
347.08487	1.3
365.09363	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01856	5.5
57.03416	11.6
60.04501	3.0
61.02906	11.4
69.03416	35.4
70.06573	7.2
71.04971	2.6
71.60583	4.7
71.60963	2.6
72.08130	5.8
73.02895	8.4
79.05525	2.6
81.03402	9.7
81.04540	3.2
81.07026	3.4
83.04975	6.2
84.08125	3.5
85.02888	58.4
86.03196	2.9
87.04458	5.2
91.03940	5.9
91.05485	3.7
97.02861	19.9
99.04426	7.2
101.00877	7.1
103.00619	3.6
109.02840	6.8
111.04424	5.5
111.05523	4.3
115.02433	2.6
119.01874	18.6
120.01968	4.3
121.01639	6.6
121.02853	6.2
121.06496	3.9
122.07102	3.8
123.06648	4.8
127.03857	14.6
129.02109	3.3
129.05469	6.3
131.01927	5.7
132.04401	18.7
134.06000	4.4
136.07542	7.4
137.05981	7.4
137.07861	2.9
140.03424	16.6
143.01878	8.9
145.03491	12.6
145.04945	9.2
147.04343	6.7
147.06435	4.3
148.03825	4.5
150.05594	3.4
151.06128	7.8
153.03169	11.7
153.53200	3.5
155.01862	5.0
157.03461	12.4
159.03217	4.5
160.03944	5.7
161.02919	9.9
162.03741	8.2
163.03865	17.4
163.06190	2.9
165.05502	3.5
165.07607	5.0
166.04924	23.9
173.02956	4.9
174.08179	6.4
174.98595	4.3
175.04517	7.5
183.07330	3.7
183.08614	10.0
184.05869	10.4
184.07448	2.8
185.02971	3.4
185.06493	3.7
187.04471	5.5
189.02310	2.9
194.07059	19.8
194.57158	13.1
195.07092	10.5
203.03961	3.3
205.05533	64.7
205.55621	21.6
206.05461	4.4
213.00067	3.5
216.99728	2.7
221.04842	4.5
223.06575	11.7
224.06752	2.9
225.06567	3.5
241.07686	6.8
242.09267	4.0
243.07372	3.5
245.05038	6.9
251.02682	3.0
253.59464	5.1
257.10251	3.6
259.11935	9.6
264.07434	3.4
265.07468	2.7
302.08975	4.3
302.12314	16.6
327.12329	4.4
345.05524	13.3
345.09341	100.0
345.13116	97.8
346.08978	17.6
354.87079	3.0
368.11115	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	344.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01860	14.0
55.05502	48.3
56.05027	6.6
57.03428	10.4
57.07061	22.9
67.05157	6.6
67.05491	75.3
68.05825	5.0
69.03413	11.0
69.07053	42.6
70.06575	5.2
71.04948	5.1
71.08618	41.1
71.63215	8.2
74.06056	16.4
74.55555	3.8
74.79169	4.2
79.05475	49.7
81.07043	100.0
83.04965	26.7
83.08604	23.9
85.06525	11.5
88.07609	47.1
91.05474	40.0
93.07027	88.7
95.04958	21.9
95.08588	58.5
97.06520	19.6
97.10127	7.8
99.08070	30.7
102.05534	6.7
105.06993	30.1
107.08581	41.0
109.06470	7.4
109.10107	23.6
110.10490	4.3
111.08063	9.6
117.06981	12.2
119.08540	27.3
121.06464	5.0
121.10107	31.8
122.39099	5.6
123.08051	6.7
123.11691	14.7
125.09599	8.2
129.07019	6.3
131.08566	12.6
133.10106	28.2
135.11659	23.6
137.09579	4.6
137.13281	4.9
139.07501	5.9
139.11166	46.5
143.08481	5.7
145.10115	13.3
147.10579	4.5
147.11650	22.2
149.09628	6.5
149.13257	23.0
151.11159	18.7
157.10144	11.4
159.11687	18.9
160.21959	3.9
161.13202	20.0
163.11119	13.8
163.14804	8.7
164.78838	4.2
165.12794	9.9
171.11603	4.8
173.13272	8.1
175.11160	11.1
175.14781	11.6
177.12746	11.4
179.14348	5.2
185.13101	8.2
189.16400	4.9
193.12186	5.5
193.83319	4.3
195.13795	16.5
211.10347	4.1
211.13272	5.7
217.19417	7.3
231.21082	5.4
241.19562	11.7
259.20502	21.5
277.21570	63.1
291.23056	25.7
298.31073	12.1
309.24265	18.0
344.31500	85.8
344.35284	19.5
345.09753	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	344.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01856	3.8
55.05503	8.6
57.03428	11.1
60.33412	1.0
65.03929	1.9
67.05163	2.2
67.05497	27.4
69.03422	4.6
69.07058	35.8
69.97344	1.1
69.97655	6.2
71.04983	14.1
73.02898	4.1
74.02424	3.7
79.05482	29.0
81.03416	14.3
81.07047	25.3
83.04982	5.3
83.08596	5.6
85.02896	2.6
85.06522	3.2
89.06027	1.3
91.05475	16.0
93.07027	24.4
94.07389	1.2
95.04956	18.8
95.08588	16.4
97.02898	1.5
97.06521	100.0
97.10146	2.4
99.04476	1.2
99.08071	4.3
105.07013	14.8
106.07362	1.5
107.04928	3.8
107.08582	13.7
107.94566	1.5
109.06505	10.4
109.10130	9.9
111.04430	1.2
111.08072	3.8
113.06075	1.4
115.07561	29.6
117.06992	7.8
119.04937	1.1
119.08585	9.2
121.06497	14.9
121.10130	8.3
123.04364	1.5
123.08033	5.2
123.11692	2.8
125.09622	1.5
127.03906	1.2
129.06996	4.0
131.08580	9.7
132.08800	1.4
133.06480	3.2
133.10115	10.5
135.08069	5.6
135.11688	7.1
136.66656	1.3
137.05977	2.5
137.09583	3.7
138.09143	2.1
141.06963	1.5
143.08556	4.5
145.10120	5.9
147.08041	2.7
147.11693	4.0
149.09590	2.7
149.13246	5.2
151.07535	4.8
151.11176	3.5
152.14807	1.4
153.07083	1.2
155.08507	1.6
157.10072	4.6
159.11673	7.6
161.09631	3.5
161.13240	2.0
163.11125	2.3
165.07761	1.2
165.09027	2.3
169.10173	2.1
171.11653	2.4
173.13196	2.5
175.11191	2.6
177.12700	6.7
179.10608	1.1
184.12206	1.4
185.13300	2.7
195.13846	6.4
201.12640	1.9
207.10139	2.4
217.15839	1.4
219.13823	1.7
221.15446	1.7
223.13277	3.1
233.15416	1.3
245.19049	2.1
259.52228	1.3
263.20236	1.2
270.14850	1.3
273.18539	7.1
291.19421	6.9
298.22235	1.3
326.17957	1.9
326.21924	2.6
344.08670	1.4
344.19183	2.2
344.23087	5.0
345.09634	3.6
345.13422	1.7
345.20673	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.6
55.05502	18.6
57.03421	17.9
64.87119	4.0
65.03931	5.6
67.05495	50.8
69.03421	14.1
69.07058	90.6
70.07386	4.0
71.04972	45.4
72.40690	3.8
73.02927	4.4
79.05482	59.8
81.03410	34.6
81.07045	67.9
83.04969	17.6
83.08602	8.5
85.02925	5.8
85.06512	6.6
91.05467	41.2
93.07030	50.7
95.04942	42.4
95.08603	34.1
97.06511	100.0
97.10137	8.3
98.06844	3.9
98.21446	8.9
99.08071	8.0
105.07018	43.3
106.07377	4.1
107.04952	7.6
107.08581	24.5
109.06485	32.3
109.10147	13.5
113.05975	9.5
115.07548	71.1
116.33113	4.1
117.06992	21.2
119.08546	32.2
121.06509	13.0
121.10121	19.7
122.10452	4.4
123.04435	4.9
123.08056	10.3
123.11585	4.5
125.09530	4.2
127.07538	5.3
129.06992	14.0
131.08575	20.9
133.10063	25.7
135.08034	14.6
135.11665	18.2
137.05981	5.2
137.09564	13.6
139.07567	4.8
143.08527	6.2
145.10101	17.1
147.04497	5.0
147.11725	10.8
149.09624	5.2
149.13249	10.0
155.08517	8.0
157.10124	10.0
159.11681	32.2
160.11960	4.1
161.13272	7.4
163.11156	6.6
165.09114	12.1
169.10043	6.0
171.11632	5.3
173.09662	5.0
173.13264	8.6
175.11119	5.8
177.12746	8.1
178.66620	4.1
187.11296	5.9
195.13812	10.7
199.14931	5.3
209.31192	4.1
217.15808	6.8
219.13794	6.0
223.13254	13.4
231.13553	4.5
263.72058	4.0
273.18457	12.8
291.19440	17.6
326.21927	19.6
344.12308	7.5
344.18796	7.1
344.22882	18.9
344.26620	6.7
345.09442	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	344.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40453	0.3
53.03934	0.3
55.01863	0.8
55.05497	0.5
57.03429	1.1
60.04530	0.5
61.02916	1.0
69.03411	3.1
69.62931	1.9
70.06575	0.5
71.04981	0.4
71.24957	0.3
73.02903	0.9
80.04989	0.4
81.03396	1.2
83.04977	0.3
84.08132	0.3
85.02886	5.8
86.09695	0.6
87.04465	0.5
91.03941	0.4
91.05454	1.3
97.02890	3.4
98.21462	0.7
98.97569	0.4
99.04429	0.9
101.00852	0.5
108.08089	2.1
109.02848	0.9
110.07162	0.7
118.06538	0.6
119.01879	1.2
119.04909	1.1
121.06488	2.7
122.07129	1.8
123.04438	0.6
123.05508	1.3
126.61886	0.3
127.03877	1.9
131.01906	0.4
136.07549	67.6
137.07855	0.9
138.05370	0.5
138.09102	0.9
143.01872	1.1
145.03410	0.9
145.04921	1.3
146.05984	0.9
147.04369	0.7
148.03893	0.9
155.01865	0.4
157.03406	1.0
161.02965	0.9
163.03819	0.4
164.05644	2.6
164.07040	9.0
164.10628	0.5
165.05417	0.4
166.04964	1.9
169.03481	0.3
173.02907	0.6
182.06810	4.7
182.08092	100.0
182.94418	0.3
183.05121	0.5
183.07393	0.7
183.08456	1.1
184.05695	0.4
185.02921	0.5
187.04448	0.4
195.04886	0.3
201.06067	0.4
202.55162	0.4
203.03918	0.5
205.05547	0.6
206.05371	0.3
206.74049	0.4
208.05725	0.4
210.39044	0.4
215.03951	0.4
221.05014	0.9
223.06503	0.7
225.05974	0.5
241.07281	0.6
241.57559	0.5
242.08037	0.7
245.05048	0.8
254.08125	0.4
261.02597	0.4
281.53018	0.4
284.00049	0.4
285.15894	0.5
344.09262	0.6
344.13315	6.1
344.17029	0.6
344.65576	0.4
345.13406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27621	0.5
53.03921	0.5
54.09890	0.5
55.01870	0.5
55.65751	0.5
57.03423	1.0
59.04990	40.5
59.26571	0.5
59.84879	0.5
61.02901	1.9
69.03414	4.7
71.04964	0.5
71.32241	0.7
71.32576	1.0
73.02894	0.8
77.06023	2.0
81.03422	2.4
85.02891	18.6
87.04462	0.8
89.06014	13.7
91.03944	0.9
91.05463	2.0
97.02874	5.1
99.04427	1.2
103.07563	47.4
104.07902	0.9
109.02852	1.7
119.04917	7.5
122.05944	0.7
123.04423	1.1
127.03912	3.5
133.08565	6.1
136.07564	0.7
145.04929	3.7
147.04382	50.0
147.10133	0.9
148.04727	2.0
163.03885	1.6
164.07039	4.7
165.05457	29.4
165.11198	100.0
166.05809	1.0
166.11549	1.5
173.59558	0.5
180.08643	1.0
182.08157	1.0
199.14743	0.5
255.61200	0.5
326.12189	0.7
344.13330	1.4
345.13150	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
61.02917	1.2
62.51173	0.4
69.03415	3.3
71.28504	0.7
71.28825	0.5
81.03387	1.5
85.02893	15.6
90.28224	0.5
91.03938	0.9
91.05475	4.2
97.02864	2.9
99.04458	0.6
106.02918	1.0
109.02862	1.6
116.70689	0.5
119.04934	15.3
123.04420	2.1
124.03948	1.8
127.03901	3.0
127.58493	0.4
133.82947	0.5
145.04922	4.3
147.04391	100.0
148.04735	1.8
163.05989	0.6
165.05453	53.9
166.05772	0.8
180.08688	2.6
182.08119	0.9
309.09738	0.9
344.13397	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01858	0.7
57.03427	1.7
59.04995	0.9
61.02930	1.3
69.03420	4.5
71.61505	1.1
73.02910	0.7
81.03407	1.0
83.04972	0.9
83.06166	0.6
84.08131	0.9
85.02899	10.8
91.05467	1.5
97.02871	3.7
98.06059	1.1
98.97582	0.9
99.04430	0.9
107.04939	1.4
109.02856	0.7
110.07131	0.9
112.07594	14.5
119.01894	1.4
119.04945	4.0
121.06477	1.4
123.04391	1.1
127.03908	2.2
130.08615	3.8
136.07567	5.3
137.05948	1.2
140.05562	1.5
145.04932	1.7
146.09628	1.5
147.04401	18.4
148.04703	0.8
151.09645	1.0
152.05589	0.7
152.97244	0.5
155.01880	0.6
158.06625	19.4
159.06844	1.0
161.02959	0.9
163.03862	3.9
164.07045	10.0
164.10690	1.5
165.05461	10.6
165.07568	0.9
165.11237	1.1
167.07014	0.7
170.06624	2.5
172.04512	1.1
175.06947	0.7
176.07677	17.0
177.07741	1.1
182.08087	7.4
182.11754	1.2
188.07680	12.6
189.07744	0.9
198.12766	0.6
203.03944	0.9
212.07663	1.7
215.05110	10.8
221.05089	1.5
224.88736	0.7
225.10829	6.1
233.06172	45.7
234.06396	2.8
235.06567	0.8
237.02643	0.7
238.09311	1.8
239.12393	1.3
243.11971	4.7
251.12395	35.3
252.12573	2.1
255.09647	0.6
256.07733	2.1
263.12399	20.7
263.15207	1.1
264.12640	1.1
269.13446	20.4
270.13959	1.0
270.60052	1.2
281.13446	100.0
282.13632	6.5
284.13290	0.8
304.15027	1.9
344.09537	0.8
344.13101	5.3
344.17191	1.9
345.13376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27512	1.3
55.01854	2.4
55.05509	17.8
57.03399	2.0
57.07073	8.2
59.04985	3.6
61.02891	1.4
67.05499	20.8
68.58256	1.3
69.03426	10.1
69.07059	100.0
69.46774	10.7
70.07394	1.4
71.04978	4.4
71.08627	2.9
73.06548	2.2
73.84626	1.4
79.05479	13.0
81.03406	3.2
81.07047	69.7
83.04961	3.7
83.08608	14.4
85.02900	7.7
85.06544	15.9
89.06047	1.6
91.05468	7.9
91.43824	1.5
93.07034	27.0
95.04983	6.5
95.08591	40.7
97.02876	4.1
97.06532	6.3
97.10155	4.7
99.08086	11.2
101.06041	4.0
105.07040	13.4
107.08581	23.4
109.06494	8.1
109.10138	31.7
111.08049	9.7
111.11713	28.3
115.07545	1.4
117.06981	1.8
119.08569	9.9
121.06486	4.2
121.10134	16.0
123.04425	1.9
123.08082	4.1
123.11697	35.3
125.06023	2.3
125.09592	4.5
125.13277	2.3
127.03905	2.5
127.11189	7.5
129.07048	1.5
129.12772	1.7
131.08565	3.7
133.10126	5.0
135.04295	1.7
135.08046	5.0
135.11665	10.6
137.09618	4.0
137.13246	8.9
139.03888	2.0
139.11151	22.1
143.08572	2.1
145.04932	1.9
145.10117	6.4
147.04428	2.1
147.11696	7.0
149.09590	2.6
149.13254	6.4
151.11147	3.1
151.14859	3.6
153.12737	12.5
154.12914	1.4
155.10645	1.3
155.14244	2.1
157.10126	2.2
157.12210	3.5
159.11668	3.4
161.09583	1.5
161.13284	4.9
163.07530	3.6
163.11151	15.7
163.14792	1.6
165.09108	1.6
165.12776	7.2
167.14276	2.7
169.10168	1.6
173.13274	3.5
175.07666	1.8
175.14803	2.0
177.12695	1.6
177.16385	1.7
179.14218	1.6
181.08588	3.1
181.12210	6.9
183.13747	1.7
187.14713	1.6
189.09201	1.5
191.03365	7.3
201.16441	1.9
204.09013	1.8
237.18498	3.1
251.19913	1.7
271.13080	1.2
277.25281	3.4
289.25186	6.7
295.26288	12.6
307.26291	28.0
308.26596	2.4
325.27420	9.7
343.07913	3.0
343.11676	6.8
343.22440	2.5
344.18854	1.5
361.02271	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	343.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01855	2.8
55.05503	20.6
57.03417	3.4
57.07066	6.5
59.04998	2.8
65.03913	1.4
67.05491	18.8
69.03425	10.4
69.07055	100.0
70.07390	2.4
71.04033	2.9
71.04359	1.7
71.04989	6.4
71.08621	3.5
73.02895	1.9
73.06545	1.8
79.05476	15.7
81.03410	2.5
81.07041	79.3
82.07361	2.4
83.04968	5.4
83.08607	15.6
85.02878	11.2
85.06524	19.0
91.05453	8.5
93.07029	29.1
95.04942	9.2
95.08588	53.4
96.08949	2.1
97.02856	6.2
97.06502	12.0
97.10159	4.0
99.04435	2.8
99.08075	13.4
101.05995	4.7
103.03899	1.4
105.07012	16.7
107.04929	3.2
107.08569	28.8
108.08887	1.4
108.59689	1.2
109.06487	8.5
109.10138	34.6
111.08055	13.9
111.11703	28.4
113.09589	1.5
117.06979	2.0
119.04911	1.4
119.08559	13.6
121.06474	4.4
121.10127	20.7
123.04410	3.1
123.08073	4.5
123.11685	36.7
124.12012	1.6
125.05970	2.4
125.09643	5.2
127.03898	1.7
127.11163	7.3
129.07037	1.8
129.09064	1.4
129.12738	3.2
131.08551	5.7
133.10124	9.6
135.07986	7.1
135.11670	15.0
137.05968	3.8
137.09605	3.8
137.13237	9.6
138.56393	1.3
139.11162	21.9
140.53026	1.3
143.08533	2.9
145.10103	7.7
147.04410	1.8
147.08063	1.5
147.11670	9.9
148.12029	1.6
149.09566	3.3
149.13216	8.8
151.07466	1.4
151.11127	4.1
151.14771	2.4
153.12683	11.5
155.14282	1.9
157.06354	1.8
157.10138	2.6
157.12265	3.4
159.11674	4.6
161.13280	6.8
163.03865	2.6
163.07561	1.7
163.11182	15.7
163.14812	5.0
165.09108	3.0
165.12721	7.8
167.07001	2.7
171.11604	2.7
171.13780	3.0
173.13226	3.6
175.14740	3.0
177.16422	2.3
181.08601	6.0
181.12207	7.7
183.13817	1.6
187.11113	1.8
187.14786	1.4
189.09097	4.2
189.16382	2.7
191.03374	8.6
192.03676	1.7
201.16313	1.5
205.04959	1.7
209.19054	2.2
211.14937	1.9
215.17943	2.1
223.07323	1.5
231.21178	1.2
237.18468	3.4
254.51440	1.3
271.23962	1.5
277.25262	4.5
282.08954	1.5
285.07452	1.8
289.25095	11.2
295.26270	18.3
300.09778	1.5
307.26233	32.1
308.26596	2.1
325.21469	1.7
325.27460	10.5
343.07968	3.9
343.11816	7.6
343.15363	3.4
343.22745	4.5
343.26266	2.4
344.12119	1.8
361.02286	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	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.05497	8.3
55.76464	2.9
56.51167	2.4
57.07074	4.0
59.52461	2.7
67.05495	24.9
69.07069	15.1
71.62601	2.3
79.05486	14.1
81.07048	31.5
83.08614	6.3
85.02911	2.5
85.21320	2.5
91.05457	17.6
93.07030	37.0
93.17815	2.6
95.04946	5.7
95.08598	53.9
97.06513	5.7
97.10159	5.0
105.07021	36.3
107.08578	32.3
109.10144	39.7
115.05352	3.1
117.07005	8.1
119.08573	32.0
121.06488	3.4
121.10139	48.5
123.08073	4.4
123.11712	7.4
128.06186	4.1
129.06990	19.6
131.08546	30.7
133.10098	26.1
135.08051	3.9
135.11703	17.0
137.13280	3.1
141.06978	7.4
142.07753	9.0
143.08568	19.9
144.09303	3.6
145.10097	22.0
147.11639	23.7
149.13268	12.9
155.08542	37.9
156.09296	6.8
157.10104	38.9
159.11671	26.8
161.09599	5.5
161.13232	10.1
163.11142	4.2
165.09068	3.1
167.08563	3.1
168.09262	2.6
169.10100	19.1
171.11671	25.8
173.09637	6.2
173.13258	23.5
175.11104	3.1
175.14757	2.7
177.08986	3.7
181.10074	8.7
183.11700	18.4
185.13251	16.2
187.11192	3.6
187.14764	4.6
189.12730	3.4
189.16385	5.9
195.11684	10.5
197.13263	9.4
199.11314	3.5
199.14761	8.3
201.09071	7.0
203.10609	6.2
209.13275	12.3
210.13693	3.0
211.13017	2.6
211.14725	12.8
215.10619	5.4
217.12224	8.2
223.14821	7.6
225.16429	13.6
226.17104	4.1
229.12215	10.7
231.13899	2.7
237.16431	4.1
240.23218	7.9
243.13628	2.6
251.17929	9.0
255.13634	10.4
256.14523	4.0
269.15393	6.3
279.21014	30.3
281.22635	10.1
297.22064	16.3
307.20569	6.8
310.19287	3.4
325.17865	5.4
325.21582	91.1
325.25443	4.3
326.21997	6.8
343.11813	3.5
343.22620	100.0
343.26239	8.8
343.29550	3.6
343.33682	3.7
344.23047	7.5
348.74548	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2262
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.38964	1.1
53.03928	1.7
55.05512	4.9
55.67081	0.9
57.07069	2.1
58.01050	0.8
59.04990	1.0
67.05167	1.5
67.05495	17.7
69.03424	1.5
69.07062	9.5
70.33149	4.3
79.05481	12.9
80.05801	1.2
81.07047	26.1
82.07349	2.2
83.04986	1.2
83.08594	3.8
85.02911	1.4
91.05460	11.2
91.94725	1.1
92.05779	1.6
93.06467	1.7
93.07030	31.7
94.07361	1.3
95.04967	3.1
95.08589	40.5
96.08920	1.8
97.06514	2.6
97.10163	1.3
105.07016	26.8
106.07342	2.3
107.08578	21.3
108.08884	2.2
109.06486	2.0
109.10134	21.0
111.11703	1.6
113.05993	1.2
115.05403	2.4
117.06993	8.1
119.08563	19.6
120.08862	1.4
121.06464	2.1
121.10128	46.1
122.10426	1.3
123.08035	1.8
123.11696	3.6
125.09583	1.2
127.18977	1.0
128.06194	2.3
129.06985	11.5
131.08540	20.2
132.08890	1.1
133.10104	18.4
135.08029	1.8
135.11681	10.1
137.09610	1.9
137.13216	1.1
141.06958	4.1
142.07799	6.0
143.08534	14.0
144.09354	1.2
145.09050	1.2
145.10114	17.0
146.10446	1.1
147.08034	1.5
147.11670	14.8
149.09590	3.2
149.13239	7.1
151.07559	1.5
151.11208	1.6
155.08528	26.0
156.09315	4.9
157.10109	32.0
158.10684	1.4
159.11664	22.0
161.09619	2.2
161.13228	12.0
163.11130	2.1
165.07106	1.0
167.08571	2.9
168.09276	1.8
169.10098	12.6
170.10742	1.6
171.11662	18.4
173.09598	4.1
173.13220	16.2
175.11177	1.2
175.14711	1.4
177.09094	2.9
177.26619	1.0
179.08607	1.5
181.10121	4.5
182.10892	1.1
183.11665	16.6
184.12236	1.8
185.09592	2.1
185.13228	11.0
187.11168	2.5
187.14754	3.5
189.12766	1.8
191.10573	1.4
195.11713	6.8
197.13301	6.4
198.13933	1.0
199.14825	4.4
201.09105	6.6
201.12654	1.6
203.10590	6.4
203.14246	1.0
207.11742	1.1
208.12360	1.2
209.13246	10.0
210.13885	1.1
211.11133	1.4
211.14767	7.7
212.37706	0.9
213.12756	1.1
213.16341	4.0
215.10736	2.4
217.12251	5.7
223.14745	6.5
225.16348	8.9
226.17058	2.8
227.17853	1.1
229.12206	8.5
231.13771	4.6
235.13190	1.2
237.16277	3.5
240.23222	2.1
243.13757	3.3
247.13095	1.3
249.16472	1.9
251.17909	8.1
253.19478	1.2
255.13904	5.3
266.57785	1.0
269.15390	3.3
269.18854	1.2
269.22781	1.5
273.14719	1.5
276.20419	2.6
279.21045	26.1
280.21420	1.6
281.22598	11.3
283.16949	1.5
289.19534	1.6
297.18677	1.9
297.22064	13.2
299.23590	2.5
307.20560	7.1
310.18698	1.0
325.21567	61.9
326.21802	4.7
343.22620	100.0
344.23090	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	343.2263
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
52.97987	1.5
53.03929	4.2
55.01476	1.5
55.01855	4.8
55.05505	9.0
57.03413	4.9
57.07071	7.2
59.04977	4.7
65.03902	1.6
67.05496	20.1
69.03422	7.9
69.07039	6.4
71.04989	14.6
71.47016	1.3
79.05116	1.3
79.05486	15.8
81.03391	3.6
81.07047	26.6
83.04967	6.3
83.08585	4.0
85.06532	4.0
89.68188	1.2
91.05464	24.9
93.07030	52.2
94.07365	2.0
95.04953	38.3
95.08598	62.0
97.06512	14.9
103.05418	1.6
105.07017	58.6
107.04897	3.5
107.08578	38.4
109.06496	10.9
109.10160	6.9
111.08046	3.1
115.05433	3.8
117.07004	23.0
118.07240	1.3
119.08575	30.5
121.06487	14.0
121.10126	17.9
123.08067	18.7
123.11704	2.1
125.09621	2.6
128.06192	3.4
129.06981	6.4
130.07796	10.8
131.08562	9.5
133.06479	3.9
133.10110	14.7
135.08026	16.8
135.11690	10.8
137.09604	4.1
141.06909	1.5
142.07716	5.3
143.08569	10.6
145.06516	1.4
145.10106	57.4
147.08037	12.3
147.11671	6.2
149.09601	5.3
149.13272	1.6
151.07523	29.8
153.09070	3.7
155.08548	3.7
155.10623	1.4
156.09299	3.9
157.10112	12.1
159.08049	2.7
159.11650	14.1
161.09612	7.3
161.13217	4.1
163.07513	1.9
163.11160	45.7
164.11594	2.7
165.06900	1.5
165.09091	13.4
169.10098	5.2
170.10870	1.8
171.11725	7.1
173.09599	3.8
173.13202	5.5
175.11147	5.4
177.09099	5.1
179.07036	2.1
181.10089	3.3
181.12161	2.8
181.60977	1.3
183.11613	3.8
185.09610	2.7
185.13248	4.6
187.11104	5.3
187.14803	1.6
189.12767	6.7
189.16315	1.7
191.14363	2.9
195.11609	2.8
195.42412	1.7
197.13281	3.8
199.14944	1.6
201.12735	3.3
203.10719	1.4
203.14323	6.5
207.10123	1.7
207.13777	3.5
209.13278	3.1
209.15277	3.3
211.14804	1.7
213.16397	2.0
215.14319	2.7
215.39806	1.7
217.12222	2.3
219.48033	1.5
221.15320	21.6
223.14807	2.1
225.16306	1.9
227.14165	1.7
233.15344	3.5
240.23293	2.6
241.15939	1.8
245.15280	1.8
247.16986	1.6
255.17361	1.4
263.16367	5.5
269.15372	3.8
269.18936	1.7
279.21173	1.9
283.20590	1.7
286.19052	2.4
287.15942	2.0
307.20676	2.7
325.21567	14.0
343.22638	100.0
344.22849	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	343.2261
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03934	1.4
55.01853	2.2
55.05502	10.0
57.03404	3.7
57.07038	4.4
59.04978	3.8
65.03931	1.3
67.05495	15.4
69.03405	4.2
69.07037	4.9
71.04987	7.9
71.62983	2.0
79.05474	15.0
81.03389	1.5
81.07042	25.4
83.04966	3.5
83.08594	2.4
85.06543	2.9
91.05466	17.8
93.06470	2.3
93.07036	42.8
95.04952	28.3
95.08591	43.2
97.06516	7.3
99.00338	1.2
102.32507	1.1
103.05411	1.4
105.07014	47.0
107.04945	2.0
107.08577	33.5
109.06518	9.6
109.10148	10.5
111.08138	1.6
115.05411	1.9
117.06993	16.2
119.06049	1.5
119.07782	1.6
119.08570	19.8
121.06480	9.0
121.09425	1.5
121.10131	17.9
122.10408	1.5
123.08041	13.6
123.11694	2.9
125.05935	1.5
128.06194	3.2
129.06975	5.2
130.07762	4.8
131.08559	11.0
133.06493	4.1
133.10124	19.7
135.08037	11.0
135.11679	17.2
137.05824	1.6
137.09586	3.1
141.06972	3.1
142.07739	3.2
143.08548	13.9
145.10106	43.0
146.10475	1.7
147.08000	7.1
147.11693	10.1
149.09634	3.3
149.13219	3.3
151.07526	20.0
155.08505	5.7
156.09319	3.4
157.10098	11.3
159.08014	3.5
159.11685	11.6
161.09576	5.7
161.13251	9.5
163.11153	31.9
165.09074	10.1
167.08492	1.5
169.10097	6.6
171.11630	10.9
173.09584	3.0
173.13217	9.2
175.11127	4.1
177.09116	3.9
178.02731	1.4
179.06915	2.3
181.10100	2.1
181.12263	2.0
183.11633	5.7
185.13240	8.1
187.11124	4.4
187.14774	3.2
189.12740	5.8
189.16324	2.3
191.10529	1.8
191.14265	2.2
195.11684	4.4
197.13274	3.9
199.14813	3.1
201.09015	2.7
201.12743	1.8
203.10651	2.4
203.14343	6.0
207.10095	2.6
207.13730	3.1
209.13261	3.3
209.15245	1.7
211.14748	1.6
213.16365	2.4
215.10536	1.7
217.12175	3.2
219.13799	2.0
221.15311	14.2
223.14743	3.4
225.12660	1.8
225.16315	3.7
231.13734	3.0
233.15353	2.5
237.16319	2.2
240.23067	2.8
241.15744	1.5
243.13719	3.6
245.15331	1.8
247.16794	1.9
251.18083	1.8
263.16434	3.0
269.15369	2.9
279.20941	7.1
281.22598	2.8
297.22131	4.3
307.20438	3.8
325.17920	1.9
325.21561	24.9
325.24963	2.4
326.21912	2.3
343.22620	100.0
344.22925	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	343.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01854	2.3
55.05495	1.5
57.03419	2.9
57.07057	1.2
61.02919	3.9
65.03913	0.5
67.05496	3.2
68.64392	0.5
69.03069	0.8
69.03420	12.4
69.07050	1.9
69.82111	1.2
69.82534	2.4
70.06577	0.7
71.04967	2.5
73.02898	1.8
78.05861	0.6
79.05480	4.3
81.03031	0.6
81.03402	5.5
81.07048	10.8
83.04967	5.8
85.02892	29.8
85.06494	1.2
86.09677	0.8
87.04440	2.1
87.71019	0.5
91.03936	2.3
91.05451	4.7
93.07033	9.3
95.04957	17.9
95.08578	2.0
97.02876	10.3
97.06532	3.3
99.04430	2.7
103.05525	0.7
105.07020	8.2
107.04940	10.8
107.08578	12.1
109.02868	3.6
109.06483	2.7
109.10130	2.2
111.08079	0.7
115.03912	0.8
117.07011	3.7
117.07713	0.6
119.08549	4.6
121.06495	3.9
121.10113	13.2
123.04399	1.1
123.08047	1.5
125.05973	11.3
127.03899	7.6
129.06970	0.9
130.07788	3.8
133.06473	1.6
133.10107	1.5
135.08073	2.8
135.11670	8.0
137.05960	2.7
137.09613	3.0
139.07536	0.6
143.08562	1.2
145.04936	7.9
145.10095	16.7
147.04362	1.9
147.08008	1.9
148.08777	0.8
149.05931	0.7
151.07480	0.8
153.09079	1.1
159.11740	0.8
161.09566	1.7
163.03860	2.5
163.07481	2.3
163.11156	100.0
164.11528	2.7
165.09067	6.9
167.06995	0.8
173.04425	0.7
175.11139	1.0
181.04984	0.9
181.08565	1.7
181.12198	18.9
182.02676	1.2
183.10106	1.6
187.11159	1.2
191.03313	1.0
191.06891	0.9
205.12210	1.5
223.13300	1.9
229.10524	0.8
251.09230	0.8
307.15390	1.7
325.16348	1.2
343.11642	3.3
343.17520	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	343.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46102	0.4
69.80959	0.9
69.81367	1.5
98.20795	0.7
98.97483	0.4
106.62276	0.3
117.02715	0.3
119.01839	0.7
123.02522	0.4
133.46353	0.4
177.00914	2.5
178.00990	0.6
182.99902	0.5
191.68355	0.3
201.00682	0.5
216.98857	1.1
218.35358	0.4
219.02010	6.1
219.62779	0.4
220.02090	0.9
222.97986	1.1
234.99927	7.1
236.00113	0.6
240.98871	2.4
243.02031	0.5
253.00952	2.1
258.99963	22.8
260.00098	3.2
261.02991	5.1
262.02994	0.6
263.02899	0.4
264.98685	2.7
273.98679	0.7
277.01013	21.5
278.01178	2.6
282.99939	55.1
284.00034	7.2
291.99661	0.6
300.02655	0.8
301.01004	100.0
302.01147	13.4
303.01120	0.9
318.01178	0.5
318.98715	0.5
319.02069	6.6
320.01984	0.9
324.02539	2.4
325.00967	10.1
326.01212	0.8
343.02051	55.7
344.02200	7.1
361.03119	20.5
362.03207	2.4
366.03613	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.7
55.01859	8.9
55.05502	31.0
57.03426	8.5
61.02898	4.4
61.31206	2.9
65.03930	4.2
66.16223	3.1
67.05495	80.0
69.03407	7.0
69.07064	60.8
69.81454	3.5
71.04963	8.3
71.32848	4.3
79.05483	54.6
81.03403	10.8
81.06572	5.3
81.07046	100.0
83.04957	8.9
83.08603	15.8
85.06528	9.3
90.58320	3.2
91.05464	50.5
93.07035	77.6
95.04951	24.6
95.08598	65.4
96.05321	3.3
97.06515	24.3
97.10157	7.8
98.09696	7.0
99.08070	4.4
105.07014	54.9
107.04953	7.6
107.08575	46.5
109.06501	12.3
109.10145	31.2
111.08054	8.0
112.42524	3.2
117.07001	18.7
119.08572	52.4
120.33810	2.7
121.06467	5.7
121.10123	59.3
123.08064	12.4
123.11707	10.0
125.09617	4.5
129.06985	11.2
130.57433	3.6
131.08559	31.6
133.10126	55.6
134.10374	3.6
135.08003	6.1
135.11671	37.4
137.09592	13.2
142.07724	6.9
143.08559	13.6
145.10130	33.9
147.11690	28.8
149.09589	10.6
149.13281	17.5
155.08525	18.4
157.10114	31.0
158.10661	4.4
159.11671	31.9
161.13246	13.6
163.11176	17.5
165.12718	5.3
169.10123	10.0
171.11668	17.5
173.13231	23.1
175.11153	4.0
177.12753	5.2
181.10240	4.2
181.12221	28.3
183.11671	12.9
185.13243	11.1
187.14848	4.3
193.12170	7.0
195.11873	4.5
195.13844	13.4
197.13235	8.2
199.13133	3.8
201.09253	4.7
207.13860	6.5
209.13210	4.6
211.14850	4.5
213.14783	8.5
219.17482	4.2
223.14880	5.2
225.16316	8.3
239.17963	5.1
247.20609	5.4
251.17796	4.4
257.18997	9.3
275.20038	53.9
279.20807	16.6
281.22476	5.3
289.21600	10.6
297.22125	8.6
297.25540	3.2
306.64972	3.6
307.22864	5.3
324.20392	6.5
325.21594	47.2
339.16629	3.6
342.21460	17.4
342.33441	6.1
343.22623	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.1
55.01864	4.8
55.05502	29.3
57.03404	7.0
57.07053	8.0
59.05005	4.9
60.38762	3.9
60.89172	4.0
65.59853	3.7
65.92789	3.9
67.05151	3.1
67.05491	81.4
69.03407	10.8
69.07059	58.7
69.58335	36.6
70.95844	4.5
71.04967	7.4
71.08636	4.7
71.10308	3.8
72.93737	5.8
79.05478	51.6
81.03379	10.5
81.07043	100.0
83.04961	13.9
83.08601	16.7
85.06542	10.6
91.05472	40.1
93.07035	66.3
95.04942	23.6
95.08591	65.4
96.08925	5.6
97.06499	19.6
97.10150	10.1
99.08069	7.3
101.02489	4.3
105.07009	47.3
107.04886	6.3
107.08583	50.5
109.06490	9.5
109.10125	26.1
111.08048	9.2
111.98474	8.4
117.06993	13.7
119.08570	48.8
121.06503	9.6
121.10137	30.1
123.08028	12.9
123.11732	7.1
125.09597	6.3
129.07016	9.6
131.08527	31.7
131.97389	5.3
132.95811	7.9
133.10106	42.3
135.08043	6.0
135.11670	54.4
137.09593	12.0
142.75569	4.1
143.08617	4.3
145.10124	29.4
147.11678	26.8
149.09618	10.3
149.13222	25.6
150.96863	17.8
151.07521	11.7
155.08487	6.3
155.97386	13.2
157.10141	12.4
159.11635	23.8
161.13217	12.7
163.11166	15.0
163.14793	5.0
165.12717	4.8
171.11694	7.2
173.13193	11.2
173.98431	27.8
175.11188	7.2
177.12639	8.1
181.12195	40.7
185.13156	4.7
195.13705	28.1
197.00055	14.7
199.13228	5.6
213.12990	5.1
213.14658	20.1
227.16229	5.3
230.24794	5.4
235.17125	5.3
257.19012	5.4
263.87482	4.1
275.20020	36.0
289.21512	9.5
307.22485	9.6
325.21634	4.3
342.17889	7.8
342.21555	6.1
342.33493	5.8
342.37344	12.1
343.22498	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	342.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	4.8
55.05501	46.9
55.58073	2.2
57.03445	2.2
57.07064	3.3
61.09232	2.3
63.38727	2.3
67.05498	26.4
69.03420	11.5
69.07059	28.4
71.04953	3.2
71.62193	3.4
78.78711	2.6
79.05487	31.8
81.03362	2.5
81.07049	32.9
83.04969	6.0
83.08607	34.9
85.02853	2.6
91.05470	14.2
93.07028	26.0
95.04972	3.4
95.08601	17.2
97.06529	5.8
97.09527	4.1
97.10157	70.9
103.86227	2.5
105.07025	16.7
107.08574	96.7
108.08880	3.9
109.06493	3.4
109.10131	8.4
111.08068	4.3
117.07019	3.0
117.31894	2.7
117.71095	2.9
119.08539	12.5
121.06499	4.2
121.10135	8.7
123.08069	3.1
123.11651	5.0
125.08739	5.0
125.09616	77.7
131.08530	7.8
133.10094	10.2
135.08022	19.9
135.11653	6.8
143.08476	3.6
145.10085	13.3
147.11600	14.1
149.09605	6.4
153.09103	10.9
157.10114	3.6
157.12238	2.8
159.11688	8.4
161.13240	2.8
163.11148	4.1
163.14825	2.8
165.12773	3.0
166.25391	2.3
167.10677	2.4
171.10052	2.9
173.13275	6.1
179.14102	2.6
181.12111	3.0
185.11703	3.6
185.13222	4.5
203.12750	100.0
206.57924	2.2
211.14668	2.4
239.17920	5.6
240.36432	2.5
240.51541	2.3
257.18961	18.5
275.20026	46.3
289.21509	24.5
307.22778	19.6
325.21472	4.4
342.21518	3.4
342.25229	5.3
342.29007	2.6
343.11957	2.4
343.22556	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	342.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
55.05254	0.5
55.05504	5.7
57.03422	0.6
57.07066	10.7
57.62313	0.3
59.04986	0.9
59.42160	0.3
61.02925	2.1
69.03432	2.6
69.40414	3.0
70.06567	0.4
71.04984	0.7
73.02904	0.6
77.08380	0.3
79.05449	0.3
81.03397	1.4
82.60920	0.3
83.08610	2.9
85.02898	12.4
87.04454	0.6
89.06022	30.7
91.03959	0.6
97.02888	3.3
99.04436	0.6
101.09644	12.5
107.07056	30.5
109.02843	0.7
124.92419	0.3
127.03875	1.9
135.08055	0.7
145.04948	2.1
145.12244	0.4
147.04387	1.1
163.03848	0.5
163.13275	100.0
164.13617	1.3
165.09079	0.4
175.23735	0.3
191.03362	0.6
231.03252	0.3
343.11728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.2
55.01858	4.2
55.05502	26.1
56.04751	3.7
57.03424	5.0
61.38669	3.0
63.79985	2.8
67.05161	5.9
67.05494	72.3
69.03432	6.1
69.07055	52.0
70.33496	6.6
70.33893	6.4
71.04979	4.9
79.05478	58.2
81.03399	10.1
81.07042	100.0
81.08058	3.2
83.04980	10.9
83.08605	16.6
85.06537	9.0
91.05456	46.4
93.07026	62.1
95.04952	23.2
95.08588	61.7
95.09158	5.0
96.08948	2.8
97.06518	26.1
97.10155	5.6
98.09705	3.4
99.08056	5.4
105.07014	53.5
107.04942	8.7
107.08572	48.7
109.06513	14.2
109.10138	31.3
109.10812	3.8
111.08060	6.5
117.06996	20.4
119.08558	49.8
121.10101	41.0
123.08047	12.4
123.11686	9.3
125.09625	6.6
129.06989	10.8
131.08553	31.3
133.10112	43.0
135.07982	5.2
135.11679	42.8
137.09587	8.8
137.13083	3.6
142.07751	5.2
143.08556	11.7
145.10086	31.4
147.11647	33.5
149.09561	14.5
149.13248	17.5
151.11208	3.4
155.08496	14.0
157.10115	26.2
159.11662	29.3
161.13237	17.3
163.11145	10.7
165.12639	5.1
169.10101	10.8
171.11679	15.7
173.09633	3.6
173.11935	3.6
173.13173	19.7
175.11183	5.2
177.12726	6.0
179.14363	4.6
181.12201	23.2
182.10762	3.1
183.11674	11.0
185.13248	11.6
187.11240	3.9
187.14836	4.7
194.41496	3.0
195.11934	3.7
195.13756	12.7
197.13196	7.3
199.13341	6.0
203.10608	3.3
207.13753	5.0
209.13297	6.1
211.14850	4.8
213.14880	11.1
225.16338	6.1
229.12303	4.8
235.16942	4.8
239.18027	3.7
247.20447	6.1
251.17944	4.3
252.87770	3.3
257.18958	11.1
275.20020	55.2
279.21011	16.8
281.22540	5.5
289.21548	13.5
297.21991	7.5
307.22830	6.8
309.27090	3.0
324.20551	6.2
325.21512	36.7
325.50107	2.8
342.21481	20.3
343.22610	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	342.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01853	0.9
55.05473	0.8
57.03423	0.9
57.07063	2.5
59.04993	11.2
61.02887	0.7
65.48674	0.6
67.05482	0.7
69.03418	3.5
69.07067	0.7
69.40496	5.7
70.06557	1.1
77.81159	0.6
79.05493	0.7
81.07034	1.2
85.02895	11.1
86.09697	3.1
87.04456	0.9
87.08095	8.7
89.06018	29.7
91.03952	0.6
91.05466	1.2
92.02788	0.6
93.07033	1.3
95.04974	1.1
97.02843	3.3
98.21534	1.2
99.04476	0.8
107.07050	100.0
108.07401	1.0
109.02830	0.8
109.10167	0.8
116.07069	2.7
117.03358	0.9
121.10156	1.7
123.04423	1.1
127.03893	2.2
127.82801	0.6
131.08546	0.6
135.04367	0.9
135.08060	1.1
136.07529	1.8
137.05994	2.1
137.09605	1.7
138.06343	0.7
145.02821	2.3
145.04936	4.7
145.10110	0.8
145.12227	0.8
161.05827	0.8
163.06006	1.8
163.07428	1.1
163.11188	2.3
163.13263	10.9
164.06964	0.7
165.09174	0.8
177.05476	5.6
180.06400	0.8
180.10100	0.7
181.04970	1.0
181.08537	0.9
181.12207	1.1
191.03415	1.8
199.18060	0.7
223.24211	0.8
242.95564	0.7
269.12158	3.2
271.09235	0.6
277.07849	0.7
291.97009	0.6
311.12714	1.0
343.08044	0.9
343.11835	1.8
343.15631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.7
57.07079	0.7
59.04973	0.9
61.02906	1.6
63.17865	0.5
69.03069	0.5
69.03410	2.4
70.77635	1.6
71.04967	1.9
71.08617	4.1
71.87362	0.6
73.02936	0.8
73.06529	0.6
79.05462	1.6
81.03385	0.6
81.07036	11.1
83.04948	1.4
85.02888	12.5
85.06518	1.1
91.03954	0.7
96.66124	0.6
97.02866	2.7
99.08075	18.4
103.07552	0.9
109.02865	0.9
109.06494	15.5
113.99493	0.6
117.09108	100.0
118.09464	1.7
121.66307	0.6
127.03889	2.0
127.07531	40.6
128.07884	0.6
145.04930	1.5
145.08603	2.2
149.11676	0.6
163.03914	1.2
163.09624	32.6
164.09981	0.9
179.03378	2.3
180.03676	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52929	2.1
55.05497	49.1
56.06562	2.2
57.03434	2.7
57.07065	58.3
58.75760	2.6
67.05483	20.2
69.07053	100.0
70.07405	2.2
71.08612	46.2
73.06514	2.9
78.82484	2.4
79.05470	10.4
81.07038	54.4
83.04957	3.7
83.08601	75.5
83.09106	3.6
84.08935	3.0
85.06503	5.9
85.10161	25.5
91.05466	6.5
93.07028	20.6
95.08591	53.9
97.06482	13.3
97.10149	55.4
97.15713	2.6
99.11696	2.9
105.07001	12.0
107.08565	22.7
109.06465	4.0
109.10139	31.3
111.08064	8.9
111.11697	33.3
113.69859	2.7
115.07516	12.6
119.08567	12.6
121.10125	13.9
123.08028	3.8
123.11703	15.5
125.09593	8.3
125.13252	15.7
127.07553	5.6
129.09076	5.0
133.10022	11.7
135.11649	15.4
137.09595	4.9
137.13239	8.4
139.11140	6.2
139.14798	8.4
141.09088	6.0
143.10629	5.5
145.10135	3.8
147.11662	14.0
149.13245	11.7
151.11159	11.6
151.14764	5.3
153.12677	4.5
153.16302	2.8
155.10638	4.3
159.11642	4.0
161.13219	15.8
163.14778	6.0
165.12727	13.7
169.12241	6.1
171.13794	3.7
175.14722	3.7
177.16452	3.0
179.14279	19.8
183.13792	8.2
185.15317	5.2
189.16472	6.8
191.17944	2.9
193.15845	7.9
195.17276	3.3
197.15323	7.0
205.19487	4.6
207.17456	6.3
207.20982	2.8
222.82307	2.4
222.89868	2.5
235.20584	3.6
241.21547	4.2
249.22124	3.4
256.39294	2.5
260.28772	2.5
263.27448	6.0
287.27209	10.3
305.28326	11.7
323.29584	2.8
341.20905	3.0
341.24969	2.3
341.26825	2.6
342.37164	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	341.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03314	4.0
51.69320	3.4
55.05508	17.7
57.03420	7.4
57.07064	23.5
67.05494	34.1
69.07052	31.3
71.04996	21.0
71.08609	12.7
71.23151	7.8
72.08133	4.2
79.05470	21.0
81.07042	100.0
83.08597	14.2
85.06534	6.9
85.10165	10.0
85.40594	3.1
91.05466	20.2
93.07032	78.7
95.04965	6.0
95.08590	93.4
97.06541	5.1
97.10151	16.6
105.07027	44.3
107.08578	66.7
109.06504	18.5
109.10142	49.2
111.08045	12.8
111.11703	6.9
113.09653	4.9
116.84805	3.5
117.06978	8.4
119.08572	93.2
121.10134	65.8
121.75204	4.1
123.11694	25.0
131.08543	20.6
133.10110	31.8
135.11649	30.7
137.09593	10.3
137.13281	6.9
142.07741	4.2
143.08534	6.1
143.21440	3.7
145.10100	33.4
147.11700	21.6
149.13235	46.8
151.11162	5.4
156.09306	3.9
157.10077	13.6
159.11674	39.0
161.13203	35.7
163.14798	46.1
169.10085	3.9
171.11639	12.7
173.13237	30.3
175.14783	17.1
177.12758	5.9
177.16347	6.7
179.14378	3.9
183.11699	4.1
185.13228	9.8
187.14781	28.8
189.16415	19.4
191.14265	4.5
191.17902	35.1
199.14816	8.1
201.16365	16.8
203.17786	4.3
211.14764	7.7
213.16356	15.9
215.17851	18.2
217.19595	5.5
225.16403	4.5
227.17976	15.2
229.19536	7.8
239.17847	5.9
241.19455	7.6
257.22620	13.1
267.21033	10.8
271.24176	5.9
281.22690	4.3
283.24185	68.7
323.27264	59.2
341.27753	67.7
342.37262	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	341.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05499	15.0
57.07056	4.6
59.04977	3.2
63.45438	1.6
67.05495	20.0
69.07064	17.1
69.82188	7.7
69.99232	1.5
71.04983	29.8
71.08625	2.4
79.05473	19.4
81.07046	100.0
83.08619	9.0
85.06520	6.6
91.05452	18.6
93.07030	83.4
93.07554	1.2
95.04936	6.3
95.08594	78.3
97.06508	2.8
97.10171	8.3
98.21466	3.1
103.05473	1.6
105.07011	45.5
107.07847	3.9
107.08577	71.5
109.06499	14.0
109.10138	44.2
110.10442	1.9
111.08044	19.4
111.11689	3.9
113.09669	3.4
117.06991	7.9
119.08560	85.5
121.10123	55.4
122.10452	2.3
123.08089	1.9
123.11697	20.3
125.09608	2.9
129.06937	2.1
131.08546	16.8
133.10114	28.5
135.11668	35.7
137.09592	7.8
137.13249	5.7
139.11189	2.3
143.08562	7.6
145.10081	22.8
147.11641	24.5
149.09543	3.1
149.13232	52.8
151.11145	5.7
155.08484	2.0
156.09296	2.1
157.10104	12.4
159.11673	42.3
161.13245	24.8
163.14792	38.0
165.12767	1.9
169.10104	3.6
171.11681	10.5
173.13231	30.6
175.14752	15.1
177.12674	4.8
177.16354	5.8
179.14299	3.7
183.11670	3.3
185.13223	7.3
187.14799	27.6
189.16321	16.9
191.17946	38.4
197.13231	3.3
199.14796	8.4
201.16399	15.0
203.17934	7.1
211.14845	4.1
213.16350	17.3
215.17935	12.6
217.15904	2.1
217.19464	5.7
225.16386	2.9
227.17892	15.3
229.19455	7.3
231.17422	4.2
231.21129	2.9
239.17799	2.2
241.19341	4.0
243.21097	3.9
245.19035	2.0
253.19499	5.1
255.20874	1.8
257.22647	7.9
264.25848	1.9
267.21024	9.6
271.24176	3.8
281.22607	4.9
283.24188	49.6
295.24243	2.7
297.25735	4.3
299.23776	2.0
299.27084	2.1
323.27292	47.7
324.27765	2.0
341.28308	95.2
341.39474	3.2
342.28680	5.7
345.80289	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15091	0.8
52.68818	0.8
53.03928	1.5
55.01857	1.8
55.05505	11.2
57.03424	1.9
57.07067	5.6
65.03918	1.0
67.05164	1.6
67.05497	18.3
69.03415	5.8
69.07049	6.8
71.01350	0.8
71.04980	3.5
71.08621	12.8
71.62037	1.7
79.05060	1.0
79.05486	13.2
81.07050	24.0
83.04968	5.1
83.08589	3.6
85.02883	1.8
85.06529	4.2
91.05463	12.1
92.05782	0.8
93.07033	26.9
95.04955	7.6
95.08589	17.4
96.05731	2.8
97.02881	15.9
97.06525	6.4
97.10137	1.2
99.04433	1.0
99.08076	8.7
101.33119	0.9
103.05486	1.0
105.04488	0.9
105.07021	11.3
107.04914	1.8
107.08578	8.4
108.35571	0.8
109.06500	8.6
109.10142	6.4
110.07251	1.1
111.04427	15.1
111.08064	1.9
113.05986	4.0
117.06942	1.5
119.08553	7.8
121.06488	13.6
121.10122	14.4
123.04428	4.2
123.08064	5.8
123.11671	3.4
124.05171	3.0
125.05949	3.1
125.09615	1.4
127.03975	1.0
129.07005	2.4
131.08560	19.3
133.10115	5.1
135.08020	3.6
135.11664	1.2
137.05939	3.8
137.09615	3.1
139.11143	2.5
139.98747	2.4
141.12773	1.0
143.08524	2.0
145.10121	4.0
147.08009	2.5
147.11676	2.3
149.09592	17.3
149.13217	1.0
150.09894	1.1
151.07506	1.1
151.11127	2.2
157.10072	2.5
159.11673	1.7
161.09608	1.5
161.13231	4.3
163.11163	3.1
165.12723	9.4
167.10663	4.9
168.11449	1.2
171.11655	3.3
173.09625	1.0
173.13268	1.8
175.11104	1.1
175.14821	1.4
177.12762	2.0
179.03394	1.1
179.14272	3.7
180.11415	1.3
181.12206	100.0
182.12540	3.4
185.13216	2.7
187.11087	1.1
187.69450	1.0
189.12711	2.8
191.10747	1.1
191.14264	2.3
193.12219	1.3
195.11758	1.0
195.13791	1.3
203.14236	1.1
207.13741	3.0
213.12680	1.2
213.16396	0.9
221.15468	0.8
225.14870	1.4
231.13931	1.1
251.16310	0.9
253.14330	2.6
259.20361	0.9
269.19272	0.9
277.21674	2.6
287.20099	1.6
305.21088	13.9
306.21667	2.7
307.22678	5.2
308.23193	1.0
323.22351	4.5
324.22952	1.4
341.20703	1.7
341.24237	3.7
341.28296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	6.8
55.05499	20.0
57.00066	2.6
57.03424	6.3
57.07069	5.5
67.05490	51.4
69.03421	5.6
69.07046	14.6
69.99096	16.0
71.04976	3.9
71.08611	3.4
79.05486	25.5
81.07040	58.1
83.04977	34.8
83.08600	10.9
85.06514	9.2
91.05459	37.8
93.07037	31.0
95.04948	6.9
95.08589	20.7
95.09159	3.1
97.06558	5.1
97.10100	4.1
105.07018	49.3
106.07338	3.9
107.04906	4.7
107.08575	46.0
109.06541	7.9
109.10130	57.6
119.08550	12.7
120.08935	4.8
121.06474	9.7
121.10162	16.4
122.10434	5.2
123.08029	4.9
123.11694	14.7
131.08559	6.8
131.36192	3.1
133.10107	91.2
135.08023	6.6
135.11665	6.4
145.10120	6.7
147.11649	9.9
149.09598	6.7
151.11157	100.0
152.32750	3.5
157.10060	4.4
159.11752	4.4
171.11526	3.3
173.13179	3.4
177.09084	10.1
179.10683	9.9
182.45512	3.1
183.13770	36.1
187.15022	3.6
229.14307	4.2
237.16389	3.6
251.96960	3.5
255.17613	4.7
263.20084	5.3
273.18439	15.5
283.17038	4.6
284.17218	23.6
291.19519	12.5
305.21152	19.7
339.77832	7.1
340.23569	8.3
340.27090	6.7
340.39255	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	341.086
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
53.03913	0.3
54.22830	0.1
55.01833	0.4
57.03407	0.4
62.40546	0.1
67.01833	0.2
68.99754	0.6
69.03409	2.1
69.98162	0.7
71.01323	0.2
71.04980	1.0
73.02856	0.2
79.05430	0.3
81.03400	3.2
81.06992	0.2
81.57659	0.1
85.02863	0.5
87.04452	0.2
91.05447	0.3
95.01271	0.2
95.04943	0.2
96.92574	0.1
97.02846	0.5
98.21418	0.3
99.04412	1.0
103.18112	0.2
105.06992	0.3
107.04912	0.2
107.08552	0.2
109.02810	0.2
110.56513	0.2
111.04435	0.7
117.09050	0.2
121.10179	0.2
123.04410	0.3
127.03910	0.2
129.06917	0.2
131.04895	0.2
133.02773	0.3
133.06490	0.2
133.07553	0.6
135.07994	0.5
137.02303	0.3
137.05952	1.4
144.05624	0.2
145.02875	0.3
147.04358	0.5
149.04868	0.3
151.03905	0.2
155.03348	0.7
161.02377	0.2
161.05876	0.3
161.07043	1.3
163.03804	0.4
163.07454	0.2
163.08679	0.8
167.10646	0.2
177.05376	0.3
179.03352	100.0
180.03712	1.9
183.06633	0.2
187.07437	0.5
189.06572	0.9
189.09045	0.2
191.08148	0.8
198.17224	0.2
203.08374	0.3
207.07611	14.1
208.07838	0.2
211.07394	0.2
217.08444	0.3
231.07841	0.2
249.08690	0.3
263.06857	0.2
279.10196	0.2
291.10114	0.4
305.11331	0.2
309.10989	0.2
311.12518	0.2
323.12344	5.7
341.13400	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2526
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03940	1.0
55.01891	0.6
55.05507	37.1
57.03442	1.4
57.07073	3.3
65.53942	0.7
67.05501	4.0
69.03426	4.6
69.07063	14.5
70.17681	1.8
70.18089	1.4
70.39762	0.6
71.04980	1.2
73.06579	0.6
79.05490	2.3
81.03414	4.3
81.07052	18.3
83.04969	0.8
83.08628	3.2
85.02909	2.2
85.06539	1.0
87.08066	1.1
89.03915	2.0
91.05472	2.6
93.07040	6.7
95.04964	1.3
95.08599	24.3
97.02898	1.0
97.06531	1.8
97.10161	100.0
98.10473	2.1
99.04424	1.1
99.08061	1.3
101.06036	0.8
105.07032	6.4
107.08582	7.4
109.02864	0.6
109.06510	1.3
109.10139	8.8
111.04417	0.6
111.08090	1.2
111.11758	0.7
113.09596	0.7
117.03374	9.6
119.08573	5.6
121.10140	4.9
123.08044	1.4
123.11679	4.6
125.09618	20.2
127.03918	1.3
127.11115	0.8
128.66469	0.7
131.08572	1.1
133.10146	4.5
135.11696	5.3
135.48199	0.6
137.05884	0.6
137.09583	1.3
137.13196	1.1
139.11163	1.9
143.10661	42.3
144.11018	1.0
145.02834	23.4
145.10114	1.9
146.03185	0.9
147.04424	1.5
147.11650	3.4
149.05930	3.0
149.09692	0.7
149.13255	4.0
151.07549	0.7
151.11214	1.8
151.14804	4.7
153.12621	0.7
157.12248	1.5
159.08061	0.7
159.11676	2.6
161.13240	3.8
163.11160	0.9
163.14839	0.8
165.12782	2.2
166.04485	0.6
167.14331	0.9
171.10162	4.5
171.11440	0.7
171.13121	0.6
173.13203	1.3
175.14818	1.6
177.05455	46.3
177.12752	1.3
178.05824	2.4
179.14313	2.2
181.12206	0.7
187.14778	1.5
189.11189	12.6
195.06570	1.8
195.13867	1.2
201.16327	1.0
217.11995	0.7
219.08051	1.0
236.08247	1.0
247.07730	0.8
247.17151	0.8
251.10670	0.9
256.05222	0.7
273.62878	0.6
275.23706	0.7
277.21606	1.6
279.10269	0.9
285.22076	2.3
291.23248	0.9
293.24710	0.9
303.23160	10.2
304.23431	0.8
307.09598	1.5
309.24222	4.1
311.12961	1.2
321.09735	5.1
321.24243	26.7
322.10217	0.8
322.24622	2.6
339.12299	6.1
339.18912	0.7
339.25259	8.7
340.12604	1.8
340.25595	0.9
348.74457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1379
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
67.05486	3.4
69.03423	2.4
69.07043	1.4
70.97401	2.8
70.97774	2.5
71.04976	4.8
79.05483	2.0
81.07034	7.3
85.06518	2.0
90.02840	1.2
91.05463	6.7
93.07047	3.3
94.04182	2.6
95.04948	2.0
95.08611	3.9
97.06511	1.2
101.34040	1.3
103.05472	2.2
105.07047	4.4
105.49471	1.1
107.04935	1.8
107.08556	2.2
109.06511	3.0
109.10133	4.9
111.04437	1.5
115.05457	2.8
117.06998	2.4
119.04955	1.6
119.08549	2.1
121.10104	2.3
122.03651	6.3
123.04405	2.0
123.11702	3.7
125.09624	2.8
128.06204	1.4
129.06982	6.6
131.04897	2.0
133.02853	4.1
135.11650	1.5
137.05959	100.0
144.05653	2.6
145.06517	1.6
149.05954	4.4
151.03886	3.5
151.07544	6.6
153.05527	1.3
157.06462	4.0
158.07285	1.6
159.08002	1.5
160.05193	4.3
161.05994	3.4
163.07518	2.2
165.05464	3.6
165.06924	1.2
168.05721	1.4
172.05177	4.6
174.06715	7.2
175.07520	18.8
177.05472	7.8
177.06844	1.9
177.09081	2.6
178.05756	2.5
179.03410	1.6
179.07094	2.3
179.10632	1.8
185.06067	1.4
187.07516	35.1
188.08157	1.4
189.09109	9.5
189.10620	1.6
191.07021	1.4
191.08553	2.6
196.05228	4.3
197.05908	2.0
198.58058	1.1
199.07568	2.8
202.07674	2.6
203.08527	10.9
205.06509	1.9
205.08505	2.5
208.08777	1.4
211.07523	17.0
212.04706	2.6
213.05347	3.7
217.08531	13.3
218.07312	2.1
219.08089	9.0
220.08751	5.9
221.09793	1.6
225.05446	2.1
227.07013	20.3
231.07997	14.8
232.08786	2.9
233.05952	1.9
234.06741	1.6
235.07520	2.3
236.08315	1.5
237.09271	2.8
239.06999	12.0
240.07748	10.7
241.08571	2.5
247.07503	5.0
248.08296	18.3
249.09041	3.2
251.10590	6.7
253.08546	2.5
255.06447	15.4
256.07318	8.2
257.08258	1.4
259.07425	6.3
260.08231	3.4
262.06308	1.6
262.09796	1.5
263.10638	18.1
264.07840	2.1
265.08597	4.2
268.07358	4.5
269.08109	3.0
270.08838	41.2
271.09619	40.7
276.07788	11.4
277.08539	5.6
279.10129	10.2
280.10748	1.7
281.08200	1.8
281.11615	1.8
283.09631	9.9
285.11115	1.8
290.09204	1.3
291.10147	56.4
292.10828	5.7
293.08084	5.4
295.09708	2.7
296.10455	6.7
297.11163	4.1
305.24719	1.3
308.10391	6.2
309.11038	2.0
311.12698	13.9
313.14554	2.9
323.12744	49.5
324.12772	1.5
341.10223	2.2
341.13760	27.4
341.26331	1.4
353.27106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01870	0.7
55.05256	0.4
55.05501	2.6
57.03430	0.6
57.07066	1.3
61.02918	0.5
65.03931	1.0
67.05164	0.7
67.05497	8.7
69.03416	2.3
69.07057	1.5
70.06613	1.1
71.04987	24.2
71.61943	0.6
73.06564	0.6
79.05486	1.7
81.03413	3.6
81.07050	24.4
82.07403	1.0
83.04964	0.9
83.08601	1.0
85.02898	4.7
85.06534	5.9
87.04446	0.6
87.49859	0.4
89.03896	1.6
91.05475	8.5
95.04926	0.6
95.08594	3.1
96.08963	0.4
97.02870	1.2
97.06512	0.6
97.10181	1.1
99.04420	0.6
99.08081	1.3
105.07043	0.9
109.02876	1.7
110.06026	1.5
115.07590	0.6
117.03380	4.5
119.04932	22.6
120.05259	0.8
122.05996	2.2
123.08028	0.5
123.11687	6.9
127.03913	1.3
131.04868	0.6
133.06462	0.6
134.03613	0.7
134.82706	0.5
136.07588	2.0
141.12724	36.1
142.13123	0.6
142.77151	0.5
143.10719	0.6
145.02831	11.6
146.06133	0.6
147.04395	100.0
148.04721	5.3
149.05968	1.9
150.05507	1.0
154.08614	0.8
159.04332	0.5
159.09138	1.2
159.10271	0.7
159.13792	24.2
160.10503	1.1
160.14134	0.7
161.05934	0.6
162.00049	0.7
163.03903	0.7
164.01732	0.5
164.07051	4.2
165.09230	0.5
168.06506	0.8
177.05460	24.3
177.14841	13.6
178.06064	0.5
182.08081	3.1
192.01144	1.2
195.06522	0.8
205.09802	0.7
210.02165	11.2
236.03856	0.8
238.05299	15.7
239.05605	1.2
247.21791	0.5
267.07819	0.9
275.25446	0.6
289.08170	0.6
293.09515	1.5
303.13141	0.6
304.11542	0.7
321.09772	3.1
321.14432	1.9
339.10156	11.0
339.15430	3.5
340.10263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65096	0.6
52.15428	0.6
53.03933	0.7
55.01857	1.0
55.05500	16.1
56.19637	0.6
59.04982	1.2
61.02919	0.8
67.05480	1.4
67.83418	0.5
69.03419	9.0
69.07051	2.7
69.29618	2.8
69.30048	4.4
69.93074	0.5
70.03760	0.8
79.05474	1.3
81.03405	2.9
81.07032	2.1
81.98275	0.6
82.03722	1.1
83.04951	1.5
83.08607	53.6
84.08934	1.3
85.02900	7.5
85.99786	0.7
86.09685	0.8
89.03874	1.0
91.05477	1.7
93.07011	1.1
95.04943	0.8
95.08608	1.2
97.02863	2.1
97.10156	39.8
98.10480	0.8
99.04409	0.9
99.08038	0.7
101.05988	0.9
101.09641	2.5
105.07026	1.1
107.08582	3.5
109.02862	1.7
117.03359	2.6
118.03699	2.2
119.08521	0.7
125.09611	24.8
127.03891	1.8
133.02844	1.0
133.06413	0.6
135.08031	2.1
136.04822	0.6
137.05963	4.5
143.10652	100.0
144.11012	3.0
145.02826	5.6
145.04948	1.2
146.03178	5.9
147.04379	2.0
148.04742	1.5
149.06004	0.8
150.06310	0.8
160.07562	1.3
161.09610	1.3
161.11710	31.1
162.12012	0.7
163.07475	1.0
165.05348	0.7
167.06987	1.6
177.05440	10.5
178.05786	14.0
178.08522	3.5
179.03244	0.8
179.05891	0.7
179.10532	0.7
187.07533	2.1
198.90283	0.7
200.16687	0.6
206.07242	0.7
248.08223	1.0
291.09946	1.2
309.11157	1.3
322.09879	4.3
341.14020	1.9
345.27582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.73637	0.3
53.03935	2.2
55.01861	0.8
55.05489	1.2
57.03424	1.0
63.39548	0.3
63.55898	0.3
65.03939	0.4
67.05482	1.4
67.37985	0.4
69.03416	5.9
69.07050	1.4
70.03719	0.3
70.77763	0.7
70.78095	0.7
71.01315	0.4
71.04986	0.8
73.02899	1.0
79.05480	1.0
80.05164	0.4
81.03404	19.6
81.07048	3.2
82.03748	0.7
83.04943	0.7
83.08590	0.6
85.02890	5.8
85.06519	0.9
89.03898	5.9
91.05468	2.1
93.07012	1.9
94.87575	0.3
95.04947	0.6
95.08580	1.9
97.02873	1.4
97.06499	0.8
97.10153	0.8
99.04432	1.7
99.08035	0.4
103.05420	0.4
105.06992	1.5
107.08594	1.6
109.02853	7.6
109.06563	0.4
109.10122	2.3
111.08070	0.8
117.03355	20.6
117.06968	0.7
117.64085	0.4
118.03696	0.6
119.04907	0.5
119.08540	1.5
121.10129	1.3
123.08036	0.4
123.11689	0.8
124.05209	0.3
125.09575	0.8
127.03872	2.0
129.09125	0.5
131.08546	0.7
133.10060	0.6
134.03619	1.1
135.04370	2.1
135.08035	0.7
135.11641	0.9
137.05862	0.3
137.09583	0.5
143.08481	0.4
145.02817	53.0
145.10034	1.0
146.03172	1.9
147.04390	1.1
147.11629	1.1
149.05952	7.8
149.09570	0.3
149.13258	0.7
151.56834	0.3
157.10121	0.6
158.05977	0.6
159.11705	0.7
162.03046	0.5
163.03894	1.8
163.11176	0.5
163.14926	0.3
164.01292	0.4
169.10141	0.4
171.11618	0.4
173.13252	0.5
177.05435	100.0
178.05772	3.8
186.05396	1.9
195.06523	3.6
196.06833	0.3
205.15659	0.3
213.16330	0.4
219.08125	0.4
229.14204	0.4
279.08658	1.0
303.23071	0.9
307.09512	0.6
321.09610	27.9
321.24091	0.9
322.10156	1.6
339.10760	4.4
339.19272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
54.64638	0.2
55.01865	0.3
65.03923	0.6
67.05510	0.5
67.41986	0.3
67.92382	0.2
69.03392	0.7
70.04934	1.2
70.06585	0.5
71.04988	0.5
79.05460	0.3
81.03402	0.6
81.07026	1.0
83.04955	0.4
85.02883	0.5
85.06525	0.8
89.03902	0.3
91.05466	8.1
95.08575	0.4
96.08145	0.4
98.05991	0.3
105.06995	0.3
110.06021	1.0
111.04409	0.5
112.07527	0.3
117.03351	1.0
119.04925	21.6
119.55501	0.3
120.05218	0.6
122.06029	1.7
123.08042	0.2
123.11694	0.5
124.07566	1.3
124.08398	0.4
134.06001	1.1
136.07556	6.0
140.06996	0.7
141.09074	0.4
141.12726	1.2
141.39485	0.2
142.09441	0.8
143.10658	0.3
145.02808	2.7
147.04387	100.0
148.04735	2.7
149.05966	0.5
150.05495	0.7
152.07042	7.8
159.10191	0.6
159.13791	0.9
160.10461	0.4
164.07051	8.2
165.05516	0.4
170.08101	1.4
177.05437	6.1
182.08086	2.6
206.23059	0.2
219.02884	0.5
260.12625	0.3
261.04132	0.3
303.13342	4.0
307.09912	0.3
317.17688	1.2
321.09814	1.0
321.14511	1.4
338.38129	0.3
339.10889	0.6
339.15433	0.7
351.97211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03939	1.3
55.01868	0.3
55.05512	0.3
57.03423	0.7
61.02922	0.5
69.03425	5.5
71.05076	0.8
81.03410	10.3
85.02899	4.0
89.03893	4.4
91.05463	2.5
94.90926	0.3
95.08573	0.6
97.02883	0.8
99.04439	1.4
103.05428	0.5
109.02871	3.8
117.03362	17.8
118.03733	0.5
119.04920	5.4
127.03934	1.6
134.03624	1.3
135.04391	1.1
145.02823	49.4
146.03171	1.1
147.04385	22.2
148.04707	0.6
149.05946	5.8
163.03816	0.7
169.34584	0.3
177.05443	100.0
178.05832	3.4
186.05397	0.7
187.04053	0.3
195.06528	3.0
200.53725	0.3
233.08070	0.3
265.55826	0.3
277.55084	0.3
279.08566	0.6
321.09659	14.7
322.10016	0.9
339.01752	0.6
339.10712	5.9
339.14612	0.8
361.11343	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1068
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.27887	0.2
53.03934	1.4
55.01868	0.5
57.03428	0.8
57.07071	0.3
61.02915	0.7
63.02365	0.3
69.03418	5.3
70.90919	0.5
70.91312	0.5
71.04980	0.7
73.02895	0.7
81.03403	13.9
85.02889	4.3
86.84227	0.3
89.03897	5.4
91.05468	0.8
97.02871	0.9
99.04442	1.2
106.04137	0.5
109.02861	4.4
114.28000	0.3
117.03358	19.1
118.03674	0.5
119.04926	0.7
122.06049	0.5
127.03909	1.7
127.92710	0.3
133.83208	0.3
134.03622	1.2
135.04391	1.2
145.02817	51.5
146.03125	1.6
147.04385	2.5
149.04771	0.3
149.05959	6.2
149.07109	0.5
162.03091	0.4
162.10133	0.4
163.03883	0.8
177.05435	100.0
178.05775	3.3
186.05499	1.1
188.08215	0.6
195.06499	2.8
196.94055	0.3
198.07613	0.4
279.08624	0.4
284.15903	0.3
296.15814	0.3
321.09634	18.6
322.09921	0.9
322.13702	1.4
339.10703	5.6
339.16660	0.9
340.10947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1069
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03946	0.7
53.99988	0.3
54.61539	0.4
56.59395	0.3
59.17876	0.3
61.02934	0.4
65.03943	1.0
69.03412	2.1
69.82934	0.8
69.83347	1.6
81.03410	4.0
83.04954	0.6
84.02782	0.3
85.02893	2.0
89.03895	2.3
91.05473	9.6
97.02884	0.9
99.04446	0.6
105.07055	0.3
109.02872	1.7
111.04444	0.4
117.03360	7.8
119.04926	25.5
120.05279	0.9
127.03831	0.5
134.03589	0.5
135.04378	0.3
138.54079	0.3
145.02827	21.2
147.04387	100.0
148.04694	3.2
149.05948	2.5
153.67833	0.3
177.05444	45.4
178.05791	0.7
179.60072	0.4
186.05472	0.4
188.08192	0.4
195.06494	1.1
203.22537	0.3
272.07394	0.4
273.50574	0.4
306.42868	0.4
307.10159	0.3
321.09656	7.2
322.13507	0.5
339.10776	2.2
348.60941	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.5
59.03577	1.9
61.02920	3.7
69.03421	8.2
70.36326	9.4
73.02910	3.8
77.00877	3.2
81.03425	3.3
83.92950	2.1
85.02899	19.8
94.24624	1.8
97.02871	9.4
99.04485	3.2
101.00883	17.1
115.02391	3.0
119.01107	4.2
119.01920	42.0
119.04988	2.5
120.89633	2.6
121.01707	3.7
127.03902	6.5
130.08646	2.7
131.01874	4.3
133.03423	4.0
137.03032	3.1
139.02449	4.1
143.01910	11.6
145.03464	21.6
145.04950	5.3
147.03323	3.1
147.04384	17.8
154.02774	2.1
155.01836	2.9
157.03473	44.2
158.03734	2.9
159.03368	3.3
161.03033	10.1
163.04588	5.2
173.02969	6.9
175.03008	3.4
175.04517	20.8
197.02957	3.0
201.01707	3.0
203.04164	2.2
205.05527	16.9
223.06621	100.0
224.06860	4.3
241.07671	35.2
244.51280	2.2
245.05104	5.3
246.08379	3.1
249.08340	11.5
265.07693	3.8
267.09253	3.5
275.06387	2.2
277.07663	43.4
278.08044	3.9
279.05692	3.0
293.07205	3.0
303.05606	4.4
321.06671	46.4
321.10086	1.7
321.14407	4.4
322.06863	3.7
339.04492	7.8
339.08432	64.7
339.15607	5.9
340.04404	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	339.107
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
56.38183	0.3
65.03938	0.9
69.03413	1.0
70.14875	1.4
81.03407	1.8
85.02881	1.1
89.03901	0.6
91.05472	7.3
91.86044	0.3
98.20904	0.4
109.02892	0.8
112.47599	0.4
117.03359	3.0
119.04931	20.5
119.56619	0.4
135.72952	0.3
145.02827	8.2
147.04396	100.0
148.04733	3.6
149.05991	1.4
165.05435	0.5
177.05452	15.4
178.05891	0.5
195.06494	0.4
203.93518	0.3
313.67517	0.3
321.09570	2.4
339.10776	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.8
55.05501	3.5
57.03417	2.2
65.03928	1.1
67.05492	4.8
69.03423	2.9
69.07055	22.6
70.06594	1.8
71.04979	2.1
71.18811	0.8
71.62456	1.5
73.06549	3.1
79.05474	1.3
81.03399	4.2
81.07040	16.3
83.04973	2.4
83.08620	1.1
84.75378	0.9
85.02894	16.0
85.06525	3.1
89.06745	1.1
91.05479	7.9
91.88074	0.9
93.07033	1.1
95.04980	1.1
95.08589	56.9
96.08923	2.2
97.02868	2.4
97.06507	15.4
99.04447	4.3
99.08069	6.7
99.22805	0.9
101.06000	3.1
103.03949	1.2
105.07016	1.3
109.02885	2.4
110.06026	2.9
111.04473	1.0
113.05987	3.3
113.09615	9.2
115.07547	45.8
117.03375	3.3
119.04919	19.9
121.06393	1.1
122.06003	3.3
123.08041	26.0
127.03910	2.8
129.09103	1.2
136.07556	6.7
141.05428	7.6
141.09073	62.1
141.12720	1.4
142.09488	1.4
145.02812	12.3
145.04971	1.3
147.04382	100.0
149.05974	2.1
150.05489	1.8
152.07094	1.5
158.06071	1.2
159.06546	3.0
159.10143	81.4
160.10503	2.3
162.05437	2.0
163.03940	1.3
164.07080	8.0
176.07039	10.6
177.05434	23.9
181.19672	1.0
182.08064	5.5
238.05319	1.9
321.09567	3.3
321.14343	1.1
338.08798	1.4
339.10291	3.2
339.15424	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	1.2
55.05494	3.6
55.69835	1.0
57.03413	4.5
61.02944	1.0
67.05484	5.6
69.03416	2.9
69.07056	18.8
71.04983	1.9
71.62575	1.7
72.49838	1.2
73.06537	3.6
73.61665	1.0
79.05476	2.7
81.03394	2.8
81.07050	22.1
85.02895	25.3
85.06519	2.6
87.04424	1.1
91.05453	4.4
93.07010	1.4
95.04984	1.3
95.08593	96.6
96.08913	2.0
97.02864	2.7
97.06503	8.4
99.04433	6.6
99.08060	6.7
101.05999	2.6
101.77583	0.9
103.01389	1.0
103.03927	2.2
113.09627	19.5
115.07549	27.0
117.03362	3.9
119.04926	9.6
122.05978	2.3
123.08051	45.8
124.08398	1.7
127.03925	1.9
136.07550	4.3
137.57880	1.0
141.09084	100.0
142.09402	3.5
145.02821	10.7
145.04980	1.6
147.04393	46.2
151.05832	1.4
154.17674	1.0
159.10146	83.8
160.10521	1.9
164.06966	6.5
175.44376	1.1
176.07019	5.5
177.05438	22.5
177.06853	1.8
182.08087	5.6
184.02922	1.0
213.84348	1.0
251.79091	1.1
266.12119	1.3
321.09641	1.6
338.19724	1.5
339.10641	1.5
362.49591	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1227
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
53.03923	0.9
55.01851	0.8
57.03410	1.0
59.04972	0.3
61.02913	2.6
63.20777	0.2
65.03947	0.2
67.93883	0.2
69.03415	6.1
69.07036	0.6
71.04974	1.2
71.46920	0.4
73.02899	1.4
81.03402	2.6
81.07033	0.8
83.04966	0.4
85.02887	11.1
87.04459	1.6
91.03928	0.5
91.05448	0.9
95.04964	0.2
95.08620	1.2
97.02875	4.7
97.06516	2.0
99.04434	1.1
99.08027	0.3
103.05415	0.3
104.04963	0.3
109.02840	1.5
113.06007	0.2
115.07558	3.5
117.03342	0.4
119.04930	2.3
121.02921	0.3
123.08045	1.0
127.03882	2.5
130.06491	2.2
131.04874	0.3
136.06160	0.4
136.07547	0.5
141.05432	0.2
141.09070	3.9
145.02832	0.8
145.04932	1.2
147.04382	11.9
152.06996	0.5
158.05980	14.6
159.06441	0.9
159.10147	2.6
163.03850	0.4
164.07063	0.5
165.46783	0.2
168.43782	0.2
176.07034	100.0
177.05440	1.2
177.07350	3.8
203.03308	0.4
276.09320	0.4
303.13275	0.3
338.12262	27.5
339.12445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.8
57.03423	3.6
61.02913	11.7
68.99746	2.5
69.03420	8.1
69.07062	16.9
69.99889	8.5
70.06578	22.8
71.01341	1.8
71.04990	2.3
73.02891	2.2
77.23413	1.4
79.05472	2.8
81.03394	4.7
81.07053	2.3
83.01294	3.9
84.50373	1.6
85.02888	18.4
91.03885	1.9
91.05425	4.1
93.07018	2.3
95.04929	2.6
95.08543	1.4
97.02877	7.9
97.06499	4.8
98.21403	1.8
98.97556	2.4
99.00769	2.2
101.02332	6.7
103.05448	18.4
105.07005	5.3
107.04951	2.6
109.02857	3.9
109.06493	1.8
110.07117	1.5
111.08047	2.9
112.07587	23.4
113.06023	2.4
115.05460	8.7
116.06209	1.9
116.07083	4.4
117.06992	4.7
118.04142	9.6
119.04936	4.8
121.02811	5.7
121.06489	1.5
122.05988	1.5
125.02341	2.2
127.03882	5.8
127.05421	1.8
127.07533	1.9
128.06178	4.4
129.03291	2.3
129.06987	4.0
130.04105	4.6
131.04898	63.4
131.08511	2.5
133.06454	9.7
135.04396	2.2
137.05949	3.0
139.05417	2.0
139.07504	4.4
140.07039	13.1
141.05423	2.8
141.06940	13.6
143.04880	4.2
144.05635	5.3
145.04852	3.0
145.06500	10.7
146.03651	10.1
147.04337	9.4
148.05124	5.0
155.03355	3.9
155.04845	4.2
155.06035	1.9
156.45184	1.7
157.02742	3.7
157.06474	12.3
157.08566	6.8
158.03613	1.8
158.08112	66.0
159.04382	13.3
159.06503	2.5
159.07983	3.5
160.05124	5.5
161.04683	1.1
161.05949	24.5
161.07205	2.6
163.03914	9.1
163.07513	2.0
164.07072	4.2
167.06992	3.0
168.05659	4.2
169.04036	2.2
169.06444	17.7
171.04362	11.0
172.05119	4.7
173.04616	1.6
173.05951	11.0
173.09512	1.7
174.03093	5.6
174.06770	3.1
174.96779	1.9
175.03792	8.2
175.07465	3.3
175.09631	2.0
176.04626	16.3
176.07036	5.1
177.05403	5.2
178.06184	3.8
181.04910	3.8
182.08061	2.9
183.04384	3.2
183.07974	1.9
185.02336	2.3
185.04294	2.6
185.05945	11.0
186.06738	9.8
187.03845	35.4
187.07521	11.7
188.04617	5.7
189.01837	12.8
189.05440	19.9
190.06131	4.6
191.06985	61.9
192.04166	1.8
193.08589	8.9
196.05162	2.7
197.05956	18.0
199.03864	5.9
200.04637	5.7
200.09129	3.2
201.05356	8.1
201.09081	4.3
202.06206	3.1
203.03540	8.9
203.05234	5.2
203.07024	6.4
204.04140	33.5
204.07716	2.4
205.04875	7.0
205.08577	9.8
206.05623	3.7
207.06624	1.6
211.07524	3.0
213.05524	9.2
214.06190	7.6
215.03398	3.7
215.06979	25.9
216.04082	4.3
217.04912	20.0
217.08572	6.2
218.05675	11.9
219.06488	54.5
221.07973	5.7
225.05467	4.2
227.11806	2.5
229.04942	3.5
229.08498	14.4
230.02142	2.0
230.05577	2.2
231.02779	4.9
231.06473	12.3
232.07190	6.4
233.08113	10.9
234.05171	5.9
235.06030	9.8
239.07137	1.6
241.04903	3.4
242.05676	5.7
242.10237	2.6
243.06477	18.8
244.03661	3.2
245.04425	25.8
245.08061	15.5
245.12817	2.3
247.05969	2.5
247.09607	21.4
249.07527	8.8
257.08054	25.7
258.05466	1.7
258.08636	2.1
259.05991	5.2
260.06738	40.0
260.11417	2.2
261.07559	5.3
262.04694	14.3
263.05444	18.5
269.04291	1.7
273.07556	12.6
275.09079	100.0
276.09436	4.6
277.07022	66.3
278.07632	2.7
287.05408	16.5
289.07047	1.7
291.08777	3.6
291.13138	2.5
293.10425	1.6
301.06961	10.5
301.11731	5.1
319.08041	25.2
319.12759	16.1
320.13434	3.2
337.08994	35.2
337.13934	28.6
339.79340	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94268	0.8
55.01638	1.0
55.01862	8.7
55.05507	1.2
57.03406	0.9
61.02911	9.7
65.03918	1.3
67.05492	2.0
68.99774	1.9
69.03399	3.0
69.07056	1.7
70.06552	1.4
71.01328	2.0
71.04964	3.5
71.62596	1.5
73.02901	0.9
79.05463	2.6
80.61604	0.8
81.07034	2.4
83.01313	2.7
83.04977	1.4
84.08128	1.5
85.02879	3.9
89.03896	1.3
91.03933	1.1
91.05469	3.5
93.07018	2.7
94.07333	1.0
95.04952	1.8
95.08580	3.9
97.02889	4.3
97.06499	3.4
99.00747	0.9
101.02355	5.0
102.04665	1.3
103.05444	15.8
104.00135	0.8
105.07015	6.0
107.04922	3.2
109.02822	1.1
110.07141	1.2
111.08046	1.7
115.05411	8.6
116.06194	0.9
117.06973	3.9
118.04150	9.3
119.04889	2.5
121.02853	3.0
121.10139	1.9
122.06003	1.4
123.08000	1.5
124.07543	1.5
125.02373	1.1
127.03887	1.6
127.05407	1.1
128.06192	2.7
129.03395	1.9
129.07007	5.8
130.04105	5.3
131.04901	58.2
131.08546	2.8
132.05708	2.5
133.06483	7.9
135.04338	1.0
135.07962	1.0
136.06172	3.3
136.07532	1.5
137.02208	1.0
139.05452	1.1
139.07510	3.6
139.11142	4.2
140.07866	3.1
140.99986	1.5
141.06947	14.0
141.09077	1.4
143.04887	3.4
144.02106	1.1
144.05666	4.2
145.02846	1.4
145.06445	8.6
146.03601	9.9
146.07242	1.7
147.04373	6.7
147.08034	1.6
148.05150	3.5
149.05913	1.8
151.03877	1.9
153.07011	1.2
155.03464	2.1
155.04877	3.7
155.05991	1.2
155.08531	1.3
156.05650	1.7
157.02861	4.7
157.06471	8.8
157.08534	4.1
157.12195	4.0
158.03584	3.2
158.05980	14.3
158.07208	2.6
158.08847	1.5
159.04381	10.6
159.06830	1.1
159.08040	3.8
160.05179	5.5
161.02328	1.1
161.05952	19.0
162.03200	1.2
163.03845	6.0
163.07486	1.2
164.06982	1.4
167.07019	3.9
168.05684	3.6
169.04022	1.5
169.06462	18.0
170.07014	1.1
171.04385	8.1
172.05151	4.6
173.02312	1.1
173.05942	9.6
173.09610	1.1
174.03094	3.4
174.09079	2.5
175.03888	6.0
175.07603	3.8
175.09447	2.7
176.04669	11.0
176.07005	5.8
177.05424	4.2
178.06171	4.5
179.07043	1.2
181.04974	4.7
181.06393	1.6
183.04379	2.4
183.07990	2.4
184.05075	1.2
185.02267	1.3
185.05913	9.9
186.06712	8.9
187.03867	32.1
187.07457	9.9
188.04642	6.1
189.01794	9.1
189.05431	19.2
189.09093	1.2
190.06236	5.4
191.06992	61.9
192.04128	1.7
192.07573	1.6
193.06911	1.4
193.08556	7.0
196.05164	2.0
197.05922	17.4
198.03148	1.1
198.06589	1.5
199.03804	5.9
200.04678	5.8
201.05386	4.2
201.09067	4.1
202.06229	3.6
203.03352	6.9
203.05052	1.0
203.05350	1.0
203.06892	5.7
204.04150	30.2
204.07715	2.5
205.04874	4.6
205.08597	7.2
206.05644	3.1
207.06468	2.0
211.03879	1.2
211.07541	3.6
212.04608	1.2
213.05392	6.4
214.06180	7.6
215.03500	2.2
215.06981	21.7
216.04131	3.5
216.07639	1.5
217.04950	15.8
217.08414	6.8
218.05716	9.4
219.06485	50.6
219.09938	1.9
221.08012	5.1
225.05380	3.7
226.06125	1.1
228.04112	1.7
229.05099	4.4
229.08536	14.0
230.01949	1.3
230.05685	3.4
231.02982	4.5
231.06459	11.3
232.07185	3.3
233.08043	8.1
234.05141	4.2
235.05995	6.3
237.02333	0.9
239.06976	2.6
241.04854	2.4
242.05721	5.8
243.06491	17.7
244.03662	2.2
245.04405	24.7
245.08051	14.2
247.06029	2.7
247.09589	21.1
249.07468	7.6
257.08044	22.0
259.06024	3.1
260.06757	38.4
261.07419	5.9
262.04712	14.4
263.05435	12.3
263.08176	1.3
263.09268	1.1
273.07547	9.7
275.09082	100.0
276.09467	2.9
277.07022	61.1
278.07361	2.0
287.05420	13.4
289.06854	1.6
291.08533	4.6
301.07019	10.5
301.11652	1.8
309.09747	1.5
319.08063	18.4
319.12714	4.4
337.09177	17.6
337.13995	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	337.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
55.01860	0.6
55.05490	0.6
57.03421	1.3
59.04992	1.3
61.02914	1.4
61.19982	0.5
64.61378	0.5
67.05492	1.2
69.03423	4.9
69.07053	3.1
70.06573	1.1
71.04972	1.9
71.19267	1.4
73.02872	0.6
73.06533	0.7
79.05468	0.6
81.03398	2.1
81.07021	1.5
83.04975	0.9
83.08633	0.7
84.08099	1.5
85.02904	9.6
85.03408	0.8
87.04452	1.3
89.06001	1.1
91.03913	0.9
91.05460	0.9
93.07049	0.5
94.06513	0.6
95.04962	1.1
95.08569	1.0
97.02882	4.0
97.06528	0.5
98.97538	0.5
99.04429	1.4
99.05592	0.5
103.03940	0.6
103.05448	1.0
105.06994	0.8
106.70963	0.5
107.04921	0.6
109.02853	1.5
109.06498	1.1
110.06043	0.5
111.04402	1.0
111.08064	0.7
112.07594	2.9
113.06025	0.5
115.05403	0.7
117.05461	0.7
117.06992	0.5
118.04166	0.7
119.01854	0.5
119.04943	0.8
121.02856	3.8
122.06030	0.9
124.07534	0.6
127.03891	4.9
128.06203	0.6
129.03119	4.3
131.04907	4.0
131.07051	0.6
133.06454	0.7
133.07469	0.6
135.04436	0.9
137.05962	2.9
138.05507	0.7
139.03810	0.6
139.07571	0.7
140.07051	3.6
141.05414	0.6
141.07007	0.6
145.04996	1.2
147.04367	0.9
148.88515	0.5
157.02597	10.2
157.06462	1.2
157.08598	1.0
158.08113	8.5
159.04417	0.7
159.07906	0.6
161.05936	1.2
163.03883	1.9
164.07022	1.3
168.06584	0.7
169.06438	1.1
171.04263	0.5
171.06541	0.6
173.08080	1.2
174.09140	0.7
175.03662	16.4
175.09412	0.6
176.04651	0.8
176.07048	1.7
182.08145	0.8
185.04205	10.8
185.05836	0.6
187.03873	1.6
187.07497	0.9
189.05495	0.8
189.84485	0.5
191.07002	4.2
193.08661	0.8
197.05956	1.5
203.05246	44.4
204.04111	1.7
213.05444	0.5
213.10052	0.6
214.06319	0.9
215.07051	0.9
217.04918	0.9
217.08733	0.6
219.06523	2.8
221.04996	0.6
229.05031	0.5
229.08459	0.7
231.06598	0.7
231.11215	0.7
234.98904	0.7
237.02695	0.6
243.06656	0.6
245.04430	0.9
245.08141	0.7
245.12840	0.7
247.09592	1.3
257.08008	1.4
259.10754	0.8
260.06824	1.8
262.04636	1.0
263.05286	0.6
264.19217	0.5
273.07629	0.5
273.12234	0.6
275.09106	5.2
277.07022	3.2
287.05496	0.6
291.13242	1.0
301.07071	1.1
301.11636	1.2
319.08218	1.0
319.12927	4.5
320.13422	0.6
327.16766	0.5
337.08896	100.0
337.13669	6.6
338.09128	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	2.7
53.70043	1.6
55.05505	14.2
56.90627	1.6
57.03430	16.3
57.07059	3.0
65.03927	2.2
67.05495	59.2
68.46154	1.7
69.07063	16.3
69.57977	1.9
69.58371	11.8
79.05060	1.9
79.05482	26.9
81.07047	53.8
83.08596	7.3
90.94016	1.6
91.05474	14.0
93.07034	33.5
95.04940	2.7
95.08595	47.1
97.06545	2.4
97.10126	1.8
105.07001	10.4
107.08586	15.8
109.06507	2.6
109.10138	17.0
111.08042	2.3
117.07016	1.5
119.08559	6.8
121.10155	10.7
123.11681	5.4
124.17245	1.8
131.08574	6.0
133.10066	6.0
135.11688	8.8
145.10143	2.9
145.30370	1.5
147.11678	1.9
149.13252	3.9
159.11734	2.9
161.13243	3.1
173.13226	2.9
173.63147	1.6
180.17276	1.7
243.21193	1.5
261.22104	5.6
335.25757	100.0
336.26038	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	335.2574
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03929	1.7
55.01870	1.1
55.05504	16.1
57.03430	15.7
57.07050	2.3
59.97269	0.5
65.03921	2.0
67.05494	62.1
68.05798	0.9
69.07059	14.8
71.04965	1.6
79.05482	30.7
81.07046	52.2
81.46217	0.6
83.04969	1.5
83.08599	6.6
85.06534	1.0
87.78214	0.6
91.05463	14.8
92.76538	0.6
93.07031	34.0
95.04943	3.3
95.08593	43.8
96.08913	1.2
97.06500	2.4
97.10142	2.2
98.21493	1.3
99.08051	0.8
105.07019	11.6
107.08582	17.0
109.06501	1.9
109.10141	18.4
109.43238	0.6
111.08035	1.8
117.07011	3.2
119.08551	9.7
121.09301	1.0
121.10125	13.7
123.08070	1.4
123.11691	6.0
131.08553	7.0
133.10109	7.2
135.11688	7.9
137.13242	1.6
139.11169	0.6
145.10114	3.8
147.11658	3.7
149.09587	0.9
149.13246	3.5
155.08476	0.6
157.10127	1.2
159.11688	3.1
161.13211	3.6
163.14787	2.2
169.10037	1.1
171.11671	0.7
173.13173	4.8
175.14795	1.5
187.14786	1.6
195.11807	0.7
197.13165	1.1
199.14775	0.6
201.16451	0.8
243.21028	1.8
261.22098	4.4
299.23740	0.7
317.24869	1.3
335.25757	100.0
336.26013	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	335.2573
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	3.0
55.05504	15.6
57.03185	1.5
57.03432	18.2
57.07041	2.0
65.03931	2.4
67.05495	67.6
68.05826	1.7
69.07057	14.7
71.04984	1.5
71.06004	1.4
71.06367	3.2
71.59518	1.1
71.94029	1.2
76.28360	1.4
76.85573	1.1
79.05477	29.4
81.07046	60.1
82.07399	1.6
83.04951	1.4
83.08624	6.6
85.06511	1.4
89.43883	1.2
91.05466	14.2
93.07034	34.7
95.04959	3.3
95.08593	52.1
97.06537	1.5
97.10117	2.2
105.07008	10.5
107.08582	17.4
109.06497	1.3
109.10147	18.3
117.07005	4.7
119.08541	6.3
119.59033	1.1
121.10128	12.0
123.08056	1.1
123.11679	8.2
125.09610	1.3
131.08551	4.9
133.10139	6.3
135.11661	10.2
137.09618	1.3
137.13286	1.6
145.10120	4.1
147.11659	4.0
149.13239	4.2
150.42189	1.1
159.11635	4.1
161.13220	2.5
163.14709	3.0
173.13255	3.2
187.14824	2.2
243.21059	2.5
243.24782	1.3
261.22122	5.3
335.25757	100.0
336.26187	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2574
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
54.89923	1.4
55.05495	6.7
67.05499	12.9
69.03426	2.5
69.07056	6.5
70.11242	6.2
71.04980	1.3
79.05479	15.0
79.59227	1.0
81.03399	2.1
81.07040	28.4
82.29205	1.3
83.04965	5.2
83.08607	4.4
85.06532	1.7
91.05457	10.1
93.07030	28.4
94.08704	1.3
95.04949	2.8
95.08591	23.8
97.10129	1.9
98.21603	1.2
105.07011	21.1
105.07671	1.8
107.08575	29.5
109.02866	6.4
109.06480	2.7
109.10136	19.3
111.04408	1.4
111.08070	2.4
117.06982	2.7
119.08575	25.5
121.06561	1.6
121.10116	44.7
123.08055	4.0
123.11703	6.2
125.09585	1.9
131.08545	6.8
133.10110	15.8
135.08044	12.6
135.11659	68.5
137.09590	4.9
137.13210	14.3
143.08516	4.4
145.10072	12.0
147.08032	1.5
147.11652	20.3
149.09570	5.7
149.13235	7.7
151.11169	5.3
157.10066	4.0
159.11656	14.9
160.07649	1.6
161.09627	2.0
161.13232	46.4
163.11116	5.7
163.14767	2.7
171.11632	5.8
171.20509	1.6
173.13269	4.8
175.14743	2.8
176.11420	1.3
177.12711	10.7
179.14278	20.9
183.11740	2.1
185.13210	6.2
187.14798	3.9
189.12703	3.3
189.16338	3.2
191.14310	4.8
197.13274	2.4
199.14824	7.6
201.16347	2.9
203.14330	3.5
205.15887	4.5
211.14845	3.3
213.16391	1.5
215.14545	1.2
215.17903	19.3
217.15871	6.6
225.16327	2.7
227.17888	26.5
228.18277	1.9
233.18976	3.0
243.17494	1.5
281.22562	22.6
282.22842	1.5
287.47205	1.3
299.23636	100.0
300.24026	4.9
317.24692	5.5
335.21976	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2575
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	2.5
55.01865	1.0
55.05502	15.4
57.03430	16.8
57.07066	1.4
65.03581	0.4
65.03923	1.8
67.05495	63.3
68.05828	0.8
69.03426	0.5
69.07056	14.0
71.04992	1.4
71.09003	0.4
71.62738	0.7
77.03940	0.6
79.05480	30.7
80.05824	0.5
81.03410	0.6
81.07045	54.9
82.07403	1.1
83.04972	1.7
83.08603	5.9
83.13169	0.5
85.06539	1.5
91.05468	15.9
93.07030	33.8
95.04954	2.9
95.08593	45.1
96.08907	0.7
97.06535	2.1
97.10162	3.1
99.08093	0.9
105.04509	0.6
105.07013	8.7
107.08575	14.9
107.09276	0.8
109.06522	1.3
109.10139	16.6
111.08057	1.2
111.11722	0.6
113.09649	0.6
116.51945	0.4
117.07030	2.8
119.08572	7.9
121.10127	13.6
122.10442	0.4
123.08060	1.5
123.11691	6.0
129.07018	0.6
131.08536	6.3
133.10114	6.4
135.08012	0.5
135.11670	9.0
137.09602	0.7
137.13261	1.8
145.10100	4.2
147.11642	3.8
149.13264	4.2
159.11667	2.7
161.13229	2.9
163.14789	1.6
165.12627	0.6
171.11682	0.7
173.13298	3.0
175.14771	1.2
177.12769	0.7
177.16353	0.5
179.14410	0.5
187.14775	1.2
201.16359	0.7
205.15826	0.5
243.21130	1.2
261.22098	4.1
275.54926	0.5
279.23157	0.6
317.24719	1.0
335.25754	100.0
336.26105	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	335.2574
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
55.05488	8.9
58.08014	2.3
67.05489	13.3
68.05818	2.6
69.03403	3.8
69.07043	6.3
71.02283	4.1
71.04950	3.2
76.01983	2.2
77.89500	1.8
79.05470	15.7
80.05807	2.2
81.07045	40.3
82.07368	12.9
82.98792	2.0
83.04968	2.1
83.08574	3.9
83.33655	1.9
85.06503	7.7
91.05463	22.5
92.05781	4.6
93.07030	22.9
94.07359	2.1
95.04976	2.6
95.08585	25.9
96.08944	2.5
97.06501	3.2
97.75315	1.7
99.08057	3.1
105.07008	31.7
106.07340	10.9
107.07804	2.7
107.08575	32.8
108.08897	4.4
109.06467	2.9
109.10134	15.5
111.08054	21.0
117.06988	7.0
118.07343	3.3
119.08566	23.7
120.08905	2.9
121.09271	2.5
121.10120	18.4
121.38305	2.0
123.08042	3.1
123.11682	4.0
129.06989	5.1
131.08537	20.8
132.08893	9.0
133.09225	4.6
133.10112	61.9
134.10432	45.7
135.08040	2.7
135.10753	18.5
135.11685	13.2
136.11969	3.1
137.09546	2.5
142.07716	2.7
143.08501	7.0
145.10095	26.3
146.10416	6.9
147.10814	2.4
147.11676	24.1
148.11989	3.8
149.09535	2.9
149.13214	8.9
151.11140	3.7
155.08521	5.3
157.10190	11.8
158.10397	4.3
159.11705	17.9
160.11975	6.5
161.13300	16.5
163.11143	8.8
163.14763	2.3
164.11517	4.3
165.12730	9.1
165.75337	2.1
167.69872	2.1
169.10129	4.0
171.11639	8.5
172.11934	2.8
173.13274	11.9
174.13432	2.4
175.14789	2.7
178.13136	4.0
185.13316	10.5
187.14784	9.7
189.12701	3.7
191.14273	3.7
197.13220	5.1
199.14722	6.1
201.16292	4.0
203.14336	3.0
205.15904	3.7
211.14705	3.8
212.15108	2.1
213.16383	5.7
214.16682	5.0
215.17157	3.4
225.16327	7.1
226.16743	3.2
227.17033	3.3
241.19456	2.8
241.72623	2.0
251.17790	2.7
255.20990	4.4
257.22339	2.3
271.20505	27.2
271.23196	3.5
273.22144	2.1
281.22543	40.2
297.22052	7.5
299.23291	100.0
300.23697	2.1
301.22806	2.2
317.21033	3.0
317.24677	29.2
335.26172	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	335.2574
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
55.05509	5.3
67.05495	13.1
69.03417	1.7
69.07062	6.8
69.54457	7.5
73.32163	0.9
79.05482	13.7
81.07050	29.9
83.04979	3.1
83.08614	5.2
91.05466	8.6
93.07029	22.9
95.04957	1.5
95.08595	30.5
97.06536	1.9
97.10118	1.5
103.46118	1.0
105.07018	20.2
107.08583	30.6
107.09283	2.0
109.10146	17.6
111.08038	2.3
117.06997	3.2
119.08566	27.6
121.06400	1.0
121.10136	45.2
123.08068	4.3
123.11697	6.5
129.06989	1.7
131.08562	6.9
133.10095	14.7
135.08038	11.6
135.11678	69.2
136.12042	1.8
137.09621	6.3
137.13234	14.4
143.08563	3.8
145.10112	11.3
147.11661	22.4
147.12764	1.5
149.09563	5.0
149.13251	7.9
151.11185	3.1
151.14790	2.3
157.10147	4.2
159.11670	16.0
161.13242	44.3
162.13541	1.5
163.11171	5.4
163.14787	3.8
165.12720	1.4
169.10086	1.7
171.11674	5.7
173.13232	7.4
175.11284	1.2
175.14828	3.0
177.12737	9.2
179.14285	21.7
183.11705	2.1
185.13268	5.5
187.14781	7.1
189.12762	3.4
189.16370	4.8
191.14279	3.2
197.13235	2.4
198.14075	1.0
199.14786	5.2
201.16342	2.5
203.14336	3.4
205.15869	4.1
211.14767	3.6
213.16400	1.8
213.37880	1.1
215.17926	19.9
217.14130	1.1
217.15796	6.4
225.16393	2.8
227.17928	33.2
228.18304	1.9
233.19046	2.6
236.40518	1.0
239.17953	1.4
241.19560	1.9
243.17456	1.3
251.42525	1.0
257.22699	1.1
271.24152	1.7
281.22604	26.2
282.23083	1.2
299.23663	100.0
300.24139	5.4
317.24777	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2572
Annotation	Allotetrahydrodeoxycorticosterone
Peak:m/z	Relative Intensity
51.17629	1.7
53.03943	1.3
55.05497	10.0
57.07071	2.9
67.05494	22.7
69.07056	9.6
69.62408	3.1
69.62827	7.2
77.03948	1.3
78.46115	1.5
79.05481	38.1
81.07043	45.6
83.08613	9.2
85.06514	2.2
91.05460	21.0
93.07029	58.7
94.07399	1.7
95.04963	3.6
95.08592	39.8
95.13200	1.3
97.06528	4.2
97.10134	3.2
105.07016	34.8
107.08575	81.0
108.08865	1.7
109.06490	2.1
109.10139	28.6
111.08035	1.7
116.97190	3.0
117.07011	4.3
119.08564	34.3
121.10127	81.0
121.26277	1.6
122.10435	1.8
123.08083	3.2
123.11685	15.9
125.05956	2.3
126.81100	1.3
131.08586	7.7
133.10114	35.8
135.08028	3.1
135.11670	86.1
136.11993	2.0
137.13232	15.7
139.07518	7.7
139.11200	2.0
143.08528	2.7
145.10112	12.5
147.11662	31.7
149.09619	1.8
149.13235	25.1
151.07474	1.9
151.11159	2.1
151.14824	3.3
151.65974	1.6
153.09137	6.8
155.08450	2.6
157.10092	5.0
159.11661	7.5
161.09628	2.6
161.13228	31.9
163.11191	4.6
163.14742	10.1
165.09058	2.8
165.12753	2.2
167.10648	11.5
171.11671	5.2
173.13234	9.2
175.14799	25.7
177.16365	2.6
179.10718	2.8
179.14288	2.3
181.12199	20.1
185.13264	4.0
187.14804	20.1
188.15239	1.7
189.16382	5.3
191.14323	2.1
193.12187	6.5
195.13727	8.4
197.15385	2.0
199.14684	2.7
201.16377	10.4
203.17867	2.2
207.13782	12.0
209.15334	4.5
211.14911	2.0
213.95366	1.3
215.17897	7.0
221.15302	11.9
223.16942	3.8
233.15176	1.4
235.16885	4.4
247.16878	8.1
255.21028	4.5
257.22595	57.1
258.22968	2.6
261.18365	2.4
267.85474	1.4
271.24179	3.2
275.20038	6.4
275.23703	14.0
277.12906	1.5
281.22614	12.4
299.23660	24.6
317.24704	100.0
318.24759	2.5
335.25891	15.8
335.29504	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	335.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01863	2.5
55.05499	8.3
57.03439	1.7
58.03480	1.7
64.50354	1.4
65.03938	2.1
67.05488	19.9
69.03415	6.9
69.07063	11.1
69.58279	5.8
69.58701	6.7
71.04983	5.0
79.05479	20.5
81.03408	8.6
81.07044	36.7
83.04968	10.4
83.08626	3.5
85.02877	3.2
85.06531	3.7
91.05479	16.0
93.07032	33.1
95.04960	7.0
95.08593	41.7
97.02880	3.7
97.06514	5.5
97.10197	3.2
99.04453	2.1
105.07025	27.5
107.08577	39.6
109.02863	17.1
109.06488	7.9
109.10133	26.2
111.04427	3.5
111.08060	7.1
117.07000	4.2
119.08562	38.0
121.06490	8.2
121.10126	50.5
122.06793	1.5
123.08074	5.9
123.11678	9.6
125.09624	3.6
127.03882	2.7
129.06970	3.9
130.02412	1.6
131.08548	9.6
133.10112	22.8
135.08047	16.0
135.11668	65.8
136.12021	1.7
137.06029	1.6
137.09589	6.0
137.13229	11.6
139.07495	2.0
139.11174	2.6
142.07727	2.1
143.08534	5.1
144.09340	1.9
145.10097	19.5
147.08058	3.6
147.11676	21.7
147.69391	1.8
149.09625	9.4
149.13225	11.1
151.11159	5.7
151.14777	2.8
153.12717	1.9
157.10135	7.7
159.11655	20.1
161.09567	8.1
161.13240	44.9
163.11150	11.4
163.14819	4.6
165.09108	2.2
165.12671	2.3
169.10147	4.0
171.11606	7.7
173.09651	4.1
173.13214	9.1
175.11183	4.0
175.14842	4.6
177.12759	8.2
179.10706	2.2
179.14304	19.9
183.11688	4.2
185.13255	8.2
187.11205	2.3
187.14809	7.3
189.12726	4.3
189.16396	5.0
191.10629	2.9
191.14261	5.2
197.13246	3.2
199.14835	7.5
201.16385	5.9
203.14365	3.8
205.15829	6.6
211.14822	5.4
213.16364	2.5
215.14610	1.8
215.17944	18.9
217.15868	9.0
225.16345	4.8
227.17912	28.0
233.18916	2.8
253.19563	1.9
270.04007	2.0
271.23825	2.3
281.22638	20.2
299.23651	100.0
300.23938	4.4
317.17599	2.7
317.21054	9.5
317.24719	5.3
335.08997	2.6
335.14920	3.3
335.21988	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	335.2574
Annotation	17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
55.05491	8.7
57.03425	1.5
57.07073	3.1
62.53898	1.4
67.05500	23.2
69.07056	11.0
71.04988	2.3
71.62667	2.1
71.63040	1.4
79.05482	25.1
80.22622	1.1
81.07050	42.6
83.04970	1.9
83.08620	8.0
85.06533	2.8
91.05473	19.8
93.07036	42.0
95.04964	3.1
95.08596	39.0
97.02856	1.4
97.06538	2.8
97.10136	6.0
99.04456	1.9
105.07017	31.9
107.04954	1.5
107.08585	42.7
109.06535	2.7
109.10143	29.7
111.08092	3.0
113.05988	1.4
117.06998	10.7
119.08569	28.6
121.06522	1.9
121.10124	52.4
123.08029	3.0
123.11697	13.1
125.05992	2.4
125.09613	3.0
129.07021	4.1
131.08537	12.5
132.08858	1.3
133.10115	33.2
135.11674	100.0
136.12013	3.1
137.05963	1.4
137.09628	2.6
137.13239	18.9
139.07536	3.6
139.11121	1.4
143.08559	10.5
145.10107	10.5
147.08037	1.4
147.11671	29.0
148.12157	1.7
149.09627	2.0
149.13231	17.1
151.07590	2.1
151.14810	3.3
153.09148	2.3
155.08609	3.2
157.10114	8.8
159.11679	12.6
161.09572	2.2
161.13235	34.3
163.11180	3.9
163.14793	7.4
165.09132	2.6
165.12701	1.8
167.10655	7.9
169.10130	4.2
171.11661	6.2
173.13210	7.9
175.11212	1.9
175.14804	26.1
177.16359	5.1
179.10712	1.9
179.14226	3.4
181.12204	19.4
183.11711	3.5
185.13232	7.0
187.14810	13.1
189.12674	2.1
189.16360	5.7
191.14368	1.5
193.12140	1.8
195.13803	5.2
197.13237	2.9
199.14757	3.5
201.16360	8.0
203.14178	1.7
203.17834	1.9
205.15997	1.5
207.13756	8.8
211.14804	3.0
213.16393	1.8
215.17950	6.4
217.15843	2.0
221.15350	5.7
225.16325	1.9
227.17918	2.8
229.15994	1.8
233.15306	1.9
235.16927	7.2
239.17734	1.3
243.17459	1.7
247.16922	7.6
255.21022	4.2
257.19614	2.5
257.22601	38.1
258.22842	2.1
261.18396	4.1
271.20844	1.7
271.24191	2.0
275.20056	5.2
275.23740	5.4
281.22607	27.8
282.22897	1.4
299.23642	49.1
300.23932	2.1
317.24719	86.2
318.25131	5.9
335.19754	2.3
335.26099	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	335.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.8
58.99866	1.4
69.03403	2.5
71.22421	1.7
77.00889	1.0
79.19113	0.7
81.03402	1.2
82.99838	1.5
85.02884	3.7
88.03999	0.9
97.02857	2.2
101.00866	14.8
102.00964	0.8
108.08100	1.0
109.08428	0.9
113.00853	5.3
115.02409	3.6
119.01913	31.4
119.02797	1.5
120.08092	1.6
121.02843	5.6
123.05532	2.0
129.03960	2.0
130.08580	0.9
131.01895	18.8
131.05550	6.5
133.03435	4.0
137.00829	1.2
137.02934	2.7
143.01888	61.1
144.02022	2.8
145.03471	6.6
147.01384	1.5
147.04988	3.4
149.02919	2.2
149.06581	9.0
155.01880	22.5
155.05511	2.1
156.02675	2.1
157.03436	4.8
159.05028	2.9
161.02948	79.1
162.03079	2.8
163.04500	1.3
167.05539	1.8
171.04976	2.1
173.02959	19.1
173.06577	27.0
174.06787	0.9
175.04510	1.6
177.06133	3.9
183.08542	1.0
184.04527	2.9
185.02982	2.5
185.04990	1.2
185.06575	32.1
186.06802	1.4
187.04523	0.9
187.08215	5.6
191.06059	1.3
191.07635	10.0
196.04546	1.2
197.02901	1.1
197.06580	3.0
199.08168	2.0
201.06042	1.6
203.03967	8.7
203.07637	17.2
205.05565	1.0
209.06624	1.4
215.07635	13.2
217.09135	1.5
219.07167	1.1
221.05052	24.2
222.04977	0.9
223.01317	0.9
223.06712	1.1
227.07642	3.8
233.08612	3.7
241.07747	1.3
244.06818	3.3
245.04991	1.1
245.08734	1.1
257.08728	4.6
275.09744	40.2
276.09756	2.0
293.10788	100.0
294.10965	5.1
307.10657	1.4
316.12320	2.6
317.12790	1.3
335.11798	71.4
336.12094	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	334.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05252	0.5
57.03419	1.7
57.86444	0.5
61.02924	2.7
69.03417	4.6
70.66518	0.9
70.66911	1.0
71.04962	0.7
73.02876	0.6
76.24211	0.4
80.91763	0.4
81.03410	3.0
85.02886	26.2
87.04454	0.8
91.03942	1.3
91.05460	7.5
97.02876	7.1
98.15682	0.5
99.04448	1.4
105.40153	0.5
109.02851	1.8
109.06494	0.5
119.04917	7.4
127.03916	4.5
137.05951	100.0
138.06274	2.0
145.04919	7.2
151.07477	0.7
155.06992	12.0
161.05925	0.8
162.05460	1.3
163.05983	1.3
172.09698	1.4
179.07028	2.1
180.08656	5.5
190.04953	0.6
203.07092	1.2
205.08572	0.6
217.08575	0.7
221.08138	1.4
243.88191	0.4
263.09122	2.5
281.10162	1.3
334.09079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01855	4.7
55.05501	19.2
57.03168	2.1
57.03423	15.5
57.07071	5.9
65.03928	1.8
66.37932	1.1
66.49683	1.1
67.05493	66.4
69.03417	2.0
69.06707	1.9
69.07056	21.1
69.35129	11.7
71.04971	2.5
71.08616	8.8
72.04504	56.1
72.75447	1.1
79.05479	34.8
79.05943	1.8
81.07043	61.9
82.62283	1.0
83.04947	2.3
83.08614	7.6
85.06525	4.2
91.05475	22.0
93.07028	43.1
93.07619	2.2
95.04957	14.7
95.08591	55.8
97.06518	4.8
97.10156	2.2
98.98440	1.2
99.08083	4.2
103.05433	1.1
105.07010	15.7
107.04951	1.3
107.08582	21.9
109.06498	20.5
109.10140	18.4
111.08062	1.4
114.09148	12.5
116.97184	4.2
117.07009	4.3
119.08558	13.6
121.06486	3.2
121.10127	17.9
123.08060	3.2
123.11701	4.9
128.10669	5.2
131.08560	10.3
131.71637	1.1
133.10095	16.3
135.08051	3.8
135.11665	7.4
137.09601	2.8
137.13277	2.2
138.12979	1.0
139.98769	3.2
142.12242	2.7
143.08539	1.4
145.10107	6.1
145.70587	1.3
147.11665	5.7
149.09561	1.6
149.13237	7.4
156.13797	1.9
157.10220	1.4
159.11697	4.6
161.13203	2.4
163.11102	2.6
163.14838	3.7
165.12729	73.3
166.13123	1.4
169.10164	1.4
170.15308	1.3
171.11627	1.3
173.13232	8.7
175.11197	3.3
175.14798	2.6
179.14273	1.3
180.13808	3.4
182.15405	9.1
183.11690	1.7
184.13321	2.0
185.13292	1.9
187.14772	2.6
191.14288	7.5
201.12715	4.3
201.16360	1.7
203.17944	1.6
212.16400	9.5
215.14188	1.2
220.16896	8.9
229.19484	3.1
230.59099	1.8
235.10989	2.3
236.20035	31.4
237.20551	1.9
243.21181	1.7
248.17741	1.9
261.22122	2.9
265.47537	1.1
270.14743	1.8
271.20459	6.1
278.21106	1.6
289.21631	7.4
292.64478	1.1
316.26291	7.0
317.47192	1.1
334.27365	62.2
335.25711	100.0
338.74545	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0732
Annotation	GroPIns
Peak:m/z	Relative Intensity
53.80962	2.7
56.41275	1.8
69.98650	11.2
85.02914	2.1
106.52586	2.0
113.91042	2.2
124.18106	2.5
127.12336	2.1
130.91025	2.1
157.35132	2.5
335.07358	100.0
335.10974	5.4
336.07666	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	335.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55711	2.8
57.02432	2.8
62.19314	2.7
69.03410	4.2
69.75960	14.0
73.02895	2.8
83.66245	2.7
84.89697	2.3
85.02886	9.0
86.12656	3.0
97.02846	4.9
98.21416	2.8
101.00872	8.2
105.93829	2.9
108.08100	3.4
109.08440	4.7
109.69865	2.8
113.00857	4.3
119.01900	18.4
131.01884	17.7
133.03456	6.7
136.06184	3.1
138.85968	2.7
143.01888	5.7
144.99731	2.8
145.03470	7.9
153.07442	4.4
155.01871	8.7
157.03461	9.0
159.05043	4.3
161.02951	12.4
171.04979	4.8
173.02954	7.5
173.06586	12.6
175.04552	6.1
182.05132	3.1
185.06596	21.6
187.08194	3.2
189.06081	4.2
191.07704	5.8
203.04105	4.7
203.05980	3.3
203.07585	14.1
205.09253	2.9
215.07568	5.3
221.03239	3.0
221.05057	16.8
244.06978	3.7
245.05038	3.1
247.06522	3.7
249.08293	4.1
259.06738	11.9
261.08340	4.9
262.57666	3.1
275.09668	28.7
277.08121	3.7
279.09265	6.5
284.28732	2.7
293.10754	48.6
294.10715	2.7
317.13336	3.4
317.24069	2.8
335.07474	100.0
335.11682	10.3
335.14755	4.5
336.07968	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	334.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.2
61.02899	0.3
68.35583	0.2
69.03078	0.2
69.03419	2.3
69.97233	0.6
69.97645	0.3
71.04957	0.3
81.03405	0.6
83.04956	0.2
85.02869	0.5
89.03896	1.1
96.04505	0.2
97.02871	2.4
99.04440	0.3
109.02841	0.8
116.04946	2.6
117.03407	0.2
119.03112	0.2
123.04366	0.2
127.03883	0.7
127.07568	0.2
134.05925	0.2
137.05984	0.5
144.04396	2.2
146.06024	0.2
151.03857	0.4
155.06969	0.4
162.05472	100.0
163.05846	3.6
164.05882	0.2
172.03891	0.6
190.04956	26.3
191.05258	0.8
214.04912	0.2
216.02930	0.3
217.74582	0.2
226.05060	0.2
228.06509	0.6
242.04616	0.4
252.06485	0.2
256.05969	1.5
268.05948	0.4
269.40305	0.2
275.13419	0.2
280.05853	0.2
298.07089	0.5
303.08649	0.3
316.08090	19.8
317.08353	1.5
334.09143	18.5
334.14969	1.4
335.09363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2418
Annotation	20,21-Dihydroxypregn-4-en-3-one
Peak:m/z	Relative Intensity
51.91738	0.6
53.03925	0.9
55.01861	0.8
55.05499	4.2
55.82989	0.5
57.03414	1.4
57.07078	1.0
67.05498	7.5
69.07063	4.5
70.06577	1.5
71.04973	2.0
79.05482	8.6
80.27379	0.7
81.06566	1.1
81.07044	16.7
83.04977	5.8
83.08606	1.9
85.06522	1.8
91.05468	7.9
93.07027	12.4
95.04938	2.1
95.08594	14.1
97.06519	75.3
98.06850	1.0
98.20766	1.4
98.98453	6.2
105.07012	14.5
107.04921	1.7
107.08576	12.0
109.02876	1.0
109.06502	51.1
109.10136	7.1
110.06807	1.2
111.08065	1.6
115.05438	0.6
117.07006	4.6
119.08565	14.1
121.06525	2.8
121.10136	9.1
123.04449	1.1
123.08060	8.5
123.11675	2.7
125.09559	0.8
129.06981	2.5
131.08559	10.1
133.10115	12.8
135.08029	2.2
135.11658	6.3
137.05966	3.1
137.09590	1.9
137.13239	2.3
139.07533	0.7
139.11140	0.6
142.07715	0.9
143.08534	5.3
145.10098	12.3
147.08051	1.0
147.11650	7.8
149.09555	2.0
149.13245	1.6
151.11194	2.5
152.92793	0.7
153.09074	0.8
155.08521	2.2
157.10117	5.4
159.11671	12.2
161.09631	0.7
161.13225	5.9
162.05463	0.9
163.11153	2.7
163.14787	1.1
167.07027	1.6
167.10640	0.6
168.09325	0.8
169.10109	1.8
171.11655	6.1
173.09657	1.0
173.13266	8.2
175.11130	1.2
175.14795	4.6
176.98926	0.9
177.12743	1.9
179.14340	0.7
181.12239	1.5
183.11636	3.4
185.13248	10.0
187.14757	4.7
189.12764	1.3
189.16348	2.7
191.14290	0.7
195.11571	0.8
197.13251	2.6
199.14815	5.4
201.12631	1.1
201.16341	11.3
203.14400	1.3
207.13797	1.3
209.13176	2.2
211.14778	1.7
213.12759	0.8
213.16318	5.9
215.14214	0.8
215.17963	1.7
217.13957	0.7
217.15808	0.8
219.13765	0.7
221.45753	0.6
223.14700	1.5
225.16237	0.8
227.14398	1.1
227.17918	1.7
229.15866	1.7
229.19496	0.7
231.17157	0.6
237.16344	1.5
239.17909	1.2
243.17368	0.8
245.15324	0.8
245.19101	0.8
251.17795	0.8
253.19365	3.5
255.17419	1.3
255.21036	9.4
269.22574	1.1
271.20541	6.0
272.25833	2.4
273.18460	2.0
273.22141	1.4
279.21030	5.9
288.09866	0.9
297.18826	1.0
297.22110	15.0
298.22238	0.9
315.19830	1.0
315.23123	23.6
316.23602	1.3
333.24188	100.0
334.21008	0.6
334.24475	4.3
334.29385	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	333.2416
Annotation	17alpha,20alpha-Dihydroxypregn-4-en-3-one
Peak:m/z	Relative Intensity
51.02356	0.5
52.76681	0.4
53.03917	0.6
55.05508	2.6
57.03419	0.5
67.05491	6.5
69.03402	1.6
69.07041	2.1
70.97140	1.4
71.04963	0.9
74.97229	0.4
75.22720	0.5
76.47805	0.5
77.42635	0.4
79.05476	7.2
81.03405	1.4
81.07041	20.3
83.04945	1.3
83.08591	1.2
83.69364	0.5
85.02910	0.6
85.06523	0.7
91.05463	6.4
93.07026	12.4
94.04185	0.5
95.04935	1.7
95.08586	13.3
97.06502	3.1
98.98454	9.0
99.04395	0.6
99.08030	0.5
100.98878	0.5
103.05406	0.6
105.07012	7.5
106.04164	0.5
107.04945	2.8
107.08578	12.0
109.02863	1.1
109.06496	2.2
109.10126	5.2
111.08035	0.6
111.11758	0.5
115.05428	0.5
117.06979	2.0
119.08566	7.7
121.06503	4.1
121.10120	8.6
122.03646	0.9
123.04420	1.2
123.08057	1.7
123.11649	1.8
125.06004	1.4
128.06184	0.5
129.06985	1.3
131.08546	4.5
133.06454	1.0
133.10107	7.3
135.08051	2.5
135.11667	10.1
135.75987	0.5
137.05957	13.0
137.09599	1.6
137.13199	1.1
138.06172	0.6
138.09119	0.5
139.07446	0.8
141.06973	0.6
142.07773	0.7
143.08525	2.4
145.08328	0.5
145.10095	5.5
147.04425	1.0
147.08002	1.4
147.11671	5.1
149.09598	1.7
149.13222	1.5
151.03874	0.5
151.07497	1.0
151.11166	1.1
153.05435	0.7
155.08539	1.5
156.09367	0.5
157.10086	6.3
159.08078	1.3
159.11667	6.6
160.08859	0.5
161.05984	0.7
161.09613	2.9
161.13283	3.1
162.05463	1.1
163.11140	4.0
163.14696	0.5
165.12637	0.6
167.07021	13.2
169.10124	1.5
171.11633	2.5
173.09573	2.2
173.13220	3.3
175.11151	6.1
175.14807	0.6
176.98976	1.1
177.12660	0.9
179.10568	0.5
181.06462	0.6
181.08574	0.7
181.10045	1.0
181.12218	0.8
183.08000	0.5
183.11655	1.9
185.13214	3.3
187.11115	1.0
187.14804	1.8
188.50832	0.5
189.09143	0.6
189.12724	1.6
189.16319	0.6
191.10632	0.8
191.14197	0.7
195.11694	1.1
197.13200	2.2
199.14780	2.1
200.58080	0.5
201.12674	1.9
201.16342	1.4
203.14229	0.6
207.13739	0.8
209.13242	1.3
211.07373	0.6
211.14749	1.6
213.12666	0.5
213.16351	1.5
215.14330	1.3
215.17787	0.7
217.15732	0.8
223.14821	1.2
227.06940	0.6
227.14259	1.2
227.17871	1.4
229.15880	1.0
237.16394	0.6
239.17818	0.7
241.15620	0.7
245.15308	0.7
253.19516	3.9
255.17302	1.3
255.20996	2.3
257.18906	0.7
269.22482	0.9
271.20547	3.2
273.11298	0.7
273.18439	0.6
279.20963	2.6
283.09583	0.5
288.09900	4.4
289.21603	1.9
297.18610	0.8
297.22061	4.6
301.10507	1.1
303.12320	0.9
315.19550	1.2
315.23068	9.1
333.24170	100.0
334.24503	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	333.2418
Annotation	21-Hydroxypregnenolone
Peak:m/z	Relative Intensity
50.91817	1.2
53.03957	2.1
55.05497	10.1
56.96556	3.6
57.07069	4.6
59.62376	1.2
67.05499	14.1
69.07054	9.8
69.63898	4.1
69.64331	6.3
79.05490	16.9
81.07050	53.2
82.07397	1.8
83.05009	2.1
83.08586	7.3
85.06553	1.5
91.05474	26.4
93.07039	27.4
95.08597	29.0
95.09158	2.6
97.06534	12.0
97.10155	3.3
98.98457	2.4
101.49897	1.3
105.07021	39.8
107.08582	28.7
107.98479	1.5
109.06506	2.9
109.10148	18.7
111.08082	1.8
117.07018	17.4
119.08575	38.5
121.06500	4.4
121.10137	31.0
123.08121	2.5
123.11678	10.9
125.05997	2.7
129.07008	9.5
131.08546	25.0
132.80981	1.3
133.10121	59.3
135.11670	22.5
137.09610	5.8
137.13231	17.2
139.07550	4.2
142.07787	1.8
143.08539	18.2
144.09290	2.3
145.10124	25.7
147.08043	1.4
147.11682	20.2
149.13164	6.6
151.11177	23.3
155.08559	4.4
156.09370	2.2
157.10110	20.6
159.08043	2.0
159.11673	42.2
161.13229	18.0
163.07533	1.9
163.11191	4.0
163.14801	2.5
167.10640	2.8
169.10185	4.0
170.10904	1.5
171.11681	13.5
173.13258	25.3
175.11182	2.0
175.14804	6.4
177.09164	2.6
177.12701	1.4
177.16507	1.7
179.14322	4.4
181.10097	3.1
181.12244	17.0
183.11691	6.4
185.13248	44.8
187.14853	6.9
189.16350	2.0
191.10643	2.0
195.11732	3.1
195.13768	1.6
197.13309	3.5
197.15233	2.4
199.14809	22.7
201.12700	2.0
201.16399	3.8
203.14262	2.5
205.12224	4.8
207.13811	6.3
209.13301	1.6
211.14851	3.8
213.16364	24.4
214.16803	1.7
215.18008	2.3
216.13525	1.5
219.13849	1.5
221.15311	1.9
221.77344	1.3
223.14810	4.0
227.17825	2.2
233.15382	3.8
245.15456	8.6
249.18404	3.6
253.19492	4.1
255.17413	3.2
255.21069	64.1
256.21466	3.9
259.16855	4.7
269.22607	3.0
273.18512	10.1
273.22025	11.0
279.21027	11.6
287.23663	1.7
297.22104	31.7
298.22217	1.8
309.66858	5.4
315.23175	100.0
316.23541	5.2
333.24176	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	2.7
59.05026	0.6
65.03930	0.6
67.05492	9.1
69.03415	1.1
69.07045	2.3
69.41069	0.5
70.97785	2.0
79.05472	6.9
81.07043	25.8
83.04964	3.3
83.08597	1.1
91.05465	16.9
93.07031	9.4
93.46671	0.6
94.07324	0.8
95.04943	1.2
95.08582	8.0
97.06533	1.1
98.98452	1.4
105.07013	34.6
107.08572	10.2
109.06487	0.8
109.10149	4.4
111.08085	1.1
117.07003	7.9
119.08562	9.7
121.06471	0.8
121.10136	5.9
122.26234	0.6
123.08051	0.9
123.11669	1.4
129.06987	3.0
131.08548	17.6
133.10109	100.0
134.10474	2.5
135.08072	3.4
135.11656	9.0
137.09596	1.2
137.13301	1.2
141.06970	1.8
142.07741	1.9
143.08577	5.2
144.09357	0.8
145.10088	12.2
146.10457	0.8
147.11681	5.5
149.13248	2.8
151.11148	2.8
155.08563	4.9
157.10109	11.0
159.11678	11.6
161.09659	1.0
161.13194	3.6
163.11153	9.9
165.12741	1.0
169.10133	2.0
171.11687	4.3
173.13237	2.7
175.11270	0.7
175.14822	0.9
177.12741	5.8
179.14278	0.7
181.10065	1.9
183.11671	2.7
185.13199	3.2
187.11206	2.5
187.14787	2.0
189.12660	1.0
195.11737	1.4
197.13281	2.2
199.14850	2.3
201.12737	1.9
201.16457	0.8
209.13139	1.5
211.14763	2.0
213.16367	9.1
223.14809	2.1
224.15157	1.0
225.16376	9.9
229.15877	1.6
231.17409	2.9
239.17934	0.8
241.16092	0.9
241.19350	0.7
248.35991	0.8
251.17928	0.8
255.17387	2.6
269.22678	1.5
279.21017	8.0
297.22079	56.7
298.22351	3.6
315.23224	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	333.2419
Annotation	20,21-Dihydroxypregn-4-en-3-one
Peak:m/z	Relative Intensity
51.15611	0.5
53.03933	1.2
53.57155	0.4
55.01868	1.7
55.05497	3.6
56.96570	0.6
57.07074	0.6
61.50968	0.4
67.05494	6.1
69.03413	1.7
69.07058	4.6
71.04994	1.2
78.04704	0.7
79.05478	10.4
80.05833	0.5
81.03410	2.2
81.07047	11.9
83.04968	5.8
83.08608	1.8
85.02885	1.1
85.06531	1.0
91.05463	6.6
92.05819	0.6
93.07028	11.1
95.04961	2.1
95.07975	0.5
95.08595	11.9
97.06517	71.9
97.10123	0.7
98.06863	0.9
98.09669	0.7
98.98459	8.6
99.04408	0.6
99.08135	0.6
100.98872	0.9
103.05462	0.7
105.07013	12.5
107.04957	1.6
107.08579	12.4
109.02872	4.2
109.06502	49.9
109.10147	5.7
110.06815	1.1
111.04430	0.6
111.08068	1.8
115.05432	0.7
116.99541	0.6
117.07007	2.3
119.04937	0.9
119.08562	12.7
120.08952	0.4
121.06479	17.3
121.10132	6.8
122.03688	1.0
122.06827	0.8
123.04420	2.1
123.08048	8.4
123.11663	1.4
127.03893	1.0
129.06987	1.5
130.06493	1.0
131.08545	6.3
133.06482	0.5
133.10103	9.5
135.08041	1.7
135.11642	3.0
137.05957	17.7
137.09624	1.6
137.13176	0.6
138.09125	2.2
139.11142	0.5
141.06850	0.6
142.07845	0.7
143.08543	3.6
144.09338	0.9
145.06474	0.8
145.10092	10.7
147.04396	0.8
147.08008	1.2
147.11671	5.7
149.09587	2.4
149.13274	3.1
151.03882	0.8
151.07500	0.8
151.11172	1.8
151.14731	0.7
153.05496	1.1
153.06923	0.6
155.08530	1.9
157.10107	3.7
159.08060	0.8
159.11674	8.2
161.06035	0.9
161.09630	2.8
161.13300	3.6
162.05470	0.7
163.03867	0.7
163.07471	0.6
163.11192	1.8
165.05547	0.6
165.06943	1.0
167.07019	20.7
167.08307	0.8
168.07326	1.1
169.10089	1.8
171.11681	5.5
173.09656	1.0
173.13226	5.9
175.11166	1.6
175.14777	3.6
176.98907	0.7
177.09143	0.5
177.12811	1.8
179.07051	0.9
179.14357	0.7
181.04935	0.6
181.06369	0.9
181.08578	1.2
183.07996	0.6
183.11670	2.2
185.09592	0.7
185.13240	3.4
187.11165	1.0
187.14793	4.2
189.09045	0.8
189.12744	1.4
189.16354	3.3
191.03326	0.5
195.08032	0.8
195.11684	1.1
197.05882	0.8
197.13214	2.6
199.14810	2.2
201.12727	1.0
201.16365	10.3
202.16603	0.5
203.14330	1.3
205.12407	0.7
209.13185	1.3
210.53200	0.4
211.14819	1.5
213.16385	2.2
215.10567	0.7
215.14308	1.2
215.17905	0.9
217.15923	0.7
218.15335	2.9
219.13750	0.5
219.15724	0.7
223.14775	1.5
227.06982	0.9
227.14432	0.6
227.17871	1.6
229.15865	1.7
229.42575	0.6
237.16473	1.1
237.58510	0.5
239.17915	2.0
241.08636	0.8
241.15875	1.0
243.17599	1.0
251.17807	0.6
253.19464	3.2
254.99385	0.6
255.17352	0.9
255.21181	1.2
269.19327	0.5
269.22662	1.1
271.20514	7.9
273.11218	0.9
279.21048	4.2
288.09879	5.1
297.18839	0.5
297.22092	13.8
298.22342	0.6
301.10834	1.1
303.12204	1.7
315.12320	1.2
315.19577	1.6
315.23123	6.3
316.22974	1.4
333.13660	3.3
333.24188	100.0
334.24384	6.1
350.61169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
55.01841	0.6
55.05507	3.5
57.07056	0.6
60.90360	0.4
65.03899	0.5
65.88771	0.5
67.05487	7.1
69.03423	1.6
69.07043	2.2
71.04962	0.5
71.62880	1.0
72.88185	0.4
79.05476	6.6
81.03390	1.3
81.07039	26.6
83.04971	2.6
83.08602	1.4
85.06509	0.6
91.05458	17.5
93.06461	0.7
93.07027	8.9
95.04957	1.3
95.08582	7.7
97.06495	1.9
98.98417	2.2
103.05417	0.7
103.59914	0.5
105.07010	31.8
106.07332	0.8
106.92195	0.5
107.08571	9.4
109.02879	2.9
109.06505	0.9
109.10135	5.0
111.04428	0.5
111.08035	1.0
115.05445	1.1
117.07019	6.5
119.04978	0.6
119.08552	11.4
121.06490	0.7
121.10109	5.8
123.08029	1.3
123.11697	1.7
125.64739	0.5
128.06172	0.7
129.06975	2.0
130.07762	0.7
131.08537	18.3
133.10103	100.0
134.10413	3.1
135.08014	3.4
135.11668	9.1
137.05936	3.8
137.09573	2.1
137.13167	0.6
141.06976	1.5
142.07747	1.0
143.08533	5.1
144.09331	0.6
145.10097	11.9
147.04372	0.7
147.11655	7.0
149.09567	1.0
149.13184	3.0
151.11143	3.5
155.08531	5.5
156.09311	0.7
157.10095	10.5
159.10420	1.0
159.11661	14.0
161.09607	1.3
161.13229	4.4
162.13477	0.6
163.11156	11.0
165.09135	0.9
165.12708	1.2
167.07039	3.7
167.08420	0.8
169.10092	3.1
171.11649	5.7
173.09460	0.5
173.13234	4.1
175.11153	1.3
175.14740	1.2
177.12685	5.3
181.10097	1.6
182.10881	0.7
183.11623	3.1
185.13283	4.0
187.11131	2.4
187.14793	1.7
189.12715	1.4
195.11636	1.7
197.13258	1.9
199.14716	2.2
201.12686	1.3
203.14192	0.8
209.13190	2.7
210.14009	0.8
211.14772	2.0
213.16325	8.9
215.14407	0.6
217.15869	1.1
223.14813	2.0
225.16350	8.5
226.16815	0.5
229.15871	1.9
231.17477	2.4
237.16403	1.0
241.15843	0.9
251.17899	0.7
255.17427	1.5
255.21109	1.2
269.19061	0.5
269.22568	1.4
279.21008	10.8
288.09848	0.7
297.22067	55.8
298.22351	2.4
305.13879	0.5
315.23096	3.8
333.13156	1.4
333.20358	0.7
333.24298	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2417
Annotation	20,21-Dihydroxypregn-4-en-3-one
Peak:m/z	Relative Intensity
53.03931	0.9
55.01863	1.4
55.05498	2.5
58.84432	0.5
63.66864	0.5
67.05502	4.4
69.03413	1.1
69.07057	3.8
71.04975	1.1
79.05473	7.3
81.03386	1.0
81.07043	13.3
83.04961	4.5
83.08599	0.9
84.08103	0.6
85.02891	0.8
85.06527	1.2
91.05465	5.3
93.07032	10.1
95.04949	1.8
95.08039	0.9
95.08596	11.5
97.06513	76.6
98.06824	0.9
98.08337	0.5
98.20789	1.3
98.98446	4.7
99.04448	0.6
105.07014	9.4
107.04955	1.1
107.08577	7.3
109.02876	2.7
109.06496	52.6
109.10139	4.5
111.08054	1.3
117.06988	2.3
119.08561	9.7
119.46030	0.6
121.06483	6.3
121.10115	6.1
122.03614	0.6
123.04367	1.0
123.08048	6.7
123.11688	1.5
125.06040	0.7
127.03842	0.7
129.06975	1.9
130.07793	0.5
131.04895	0.7
131.08528	6.5
133.06462	0.8
133.10101	8.6
135.08020	2.0
135.11679	2.6
135.52130	0.5
137.05939	7.6
137.09578	1.8
137.13242	0.7
139.11133	0.8
141.06987	0.6
142.07733	0.8
143.08546	3.2
145.10098	8.1
147.08014	0.7
147.11653	5.7
149.09648	2.9
149.13246	1.5
151.07599	0.8
151.11171	0.6
155.08490	1.8
157.10103	3.6
159.08011	1.0
159.11658	6.9
161.09555	2.0
161.13229	2.4
163.11143	2.0
163.14792	0.7
165.09074	1.3
167.07022	8.6
169.10037	1.5
171.11702	4.7
173.09581	1.3
173.13229	5.2
175.07176	0.6
175.11159	1.3
175.14780	3.9
177.08989	0.6
177.12697	2.4
181.08566	0.6
181.10065	0.9
183.11674	2.4
185.09575	0.6
185.13232	2.0
187.14821	2.8
189.12784	1.3
189.14793	0.5
189.16263	3.1
191.14278	0.7
195.11610	0.8
197.13232	2.3
199.14798	2.4
201.12680	0.9
201.16348	9.9
203.14294	1.2
205.12032	0.6
207.13664	0.6
209.13174	1.6
211.14807	2.1
213.12831	0.9
213.16374	1.9
215.14313	0.7
215.17882	1.9
218.15384	1.1
223.14723	1.5
225.16295	1.1
227.14108	0.7
227.17828	1.0
229.15884	2.0
237.16313	0.8
239.17911	1.9
241.15784	0.7
251.17667	0.7
253.19519	4.3
271.20535	7.0
273.11163	0.7
279.21094	4.4
287.20016	0.7
288.09796	1.7
297.18872	0.6
297.22052	12.9
301.10580	0.9
303.12241	0.9
315.19824	1.0
315.23163	5.3
333.24170	100.0
334.24442	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	333.2417
Annotation	11alpha,17beta-Dihydroxy-2alpha,17-dimethylandrost-4-en-3-one
Peak:m/z	Relative Intensity
50.97477	1.1
53.03936	1.7
55.01856	1.3
55.05490	4.7
67.05160	1.3
67.05496	13.1
67.05835	1.8
69.03410	2.9
69.07063	6.8
69.46386	2.5
69.46776	9.5
70.70399	0.9
71.04979	1.2
79.05481	8.4
81.03388	1.2
81.06573	2.2
81.07044	40.2
83.04965	4.5
83.08570	1.9
85.06512	1.5
85.66548	1.0
91.05464	21.9
93.07024	15.1
95.04943	2.5
95.08592	13.3
97.06500	10.1
97.10111	1.3
98.21454	2.0
98.98444	9.0
105.07008	34.6
107.08567	12.9
109.02850	4.6
109.06496	10.2
109.10132	9.9
109.44381	1.2
111.08043	1.7
117.07005	7.2
119.04883	1.7
119.08563	16.7
121.06493	12.4
121.10121	9.2
123.08028	3.6
123.11680	3.8
125.09608	1.7
127.03854	1.1
129.06967	2.6
131.08543	18.0
133.10109	100.0
134.10428	3.6
134.27196	1.2
135.08020	5.4
135.11658	11.1
137.05952	14.9
137.09601	3.4
137.13193	1.5
138.43982	1.0
141.07004	1.9
142.07739	1.6
143.08566	7.6
145.10106	16.1
147.04347	2.2
147.11638	10.8
149.09515	1.8
149.13237	3.1
151.11168	5.0
153.05464	1.3
153.07190	1.1
155.08533	4.9
157.10107	14.1
159.11685	15.1
161.05890	1.4
161.09567	3.0
161.13220	6.2
163.11182	10.0
165.12758	1.5
167.07002	14.8
169.10078	3.4
171.11691	6.4
173.09665	1.3
173.13237	3.6
175.07401	1.3
175.11185	2.3
175.14737	2.0
177.12749	5.6
179.14247	1.2
181.08540	1.4
181.09990	1.2
183.11655	3.4
185.13237	4.1
187.11115	2.5
187.14761	3.2
189.12659	1.7
191.14325	1.2
195.11687	3.2
197.13210	2.4
199.14760	3.4
201.12761	1.8
209.13182	3.0
211.14819	3.1
213.16330	11.7
215.14220	1.3
218.15393	5.6
223.14697	2.5
225.16264	9.4
229.15826	1.5
231.17404	3.5
237.16365	1.5
251.17805	1.8
255.17322	2.6
279.21042	10.8
288.09830	4.2
297.22067	57.2
298.22388	3.3
301.10678	1.1
315.19635	1.6
315.23065	9.3
316.22711	1.7
333.12964	2.8
333.16873	1.5
333.20425	2.5
333.21591	1.8
333.24426	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	333.1901
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03936	7.4
55.01848	11.9
55.05507	21.8
57.03426	10.5
57.07052	16.7
59.04967	4.7
61.02895	8.9
67.05487	11.9
69.03426	34.4
69.07059	23.6
69.46329	13.6
69.46754	19.2
71.04984	35.5
72.08114	4.5
73.02898	13.9
73.06515	4.6
73.07588	3.8
79.05464	16.3
81.03380	14.5
81.07047	40.9
83.04968	7.1
83.08583	8.9
84.04486	8.4
85.02894	79.0
85.06499	9.8
91.05479	18.1
93.07031	29.6
95.04950	11.0
95.08591	27.9
97.02901	25.2
97.06509	26.7
98.98446	12.7
99.04411	7.4
101.05941	3.9
105.07010	22.7
107.04921	6.0
107.08588	34.4
108.04474	36.0
109.02854	16.2
109.06496	12.5
109.10126	20.3
110.09641	3.6
111.04396	5.8
111.08071	10.0
115.03926	6.9
117.06996	7.7
119.04908	4.2
119.08551	27.4
119.13474	4.1
120.04443	9.5
121.06501	5.8
122.02325	4.5
123.04420	22.4
123.08022	5.2
123.11660	9.4
124.03919	3.9
125.05918	6.7
125.09612	9.1
125.13260	3.7
127.03873	17.9
127.11205	5.5
131.08575	9.5
133.04935	16.5
133.06422	4.7
135.08047	4.5
135.11661	34.6
137.05959	17.1
137.13217	11.8
138.09087	8.0
139.03952	3.9
139.11159	3.9
140.06956	4.7
141.12679	11.3
143.08519	4.7
145.04936	12.8
145.10100	12.9
147.08002	12.7
147.11577	6.1
148.03949	5.7
149.09569	5.6
150.05426	7.4
151.07504	6.4
152.07048	16.4
153.05518	3.9
153.09062	10.9
153.10959	4.5
153.11406	6.2
153.12724	100.0
155.08531	4.8
155.10588	4.4
155.14337	10.3
159.08012	4.6
161.09613	4.7
163.03883	15.2
165.04237	4.8
165.05516	7.1
165.12695	30.9
166.05028	36.1
167.07021	20.0
168.06570	20.8
168.07765	3.9
170.11757	25.1
171.10217	8.5
171.12039	30.4
171.13766	60.5
173.09599	8.4
175.02222	3.6
175.07521	6.7
177.12732	8.8
181.04803	5.5
183.05212	9.7
189.12677	16.1
207.13763	4.4
219.13763	8.9
243.13751	5.0
261.14890	6.5
279.15924	6.3
287.10132	7.2
291.09906	4.4
297.17569	6.2
301.10709	4.7
315.17920	12.9
316.11688	5.7
333.10687	24.8
333.17017	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	333.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01854	1.8
55.05505	6.0
57.03426	3.0
61.02911	3.2
65.03907	2.1
65.12471	1.4
67.05492	9.5
69.03413	9.5
69.07046	7.1
70.06567	2.9
71.04977	4.1
71.62675	1.7
78.04688	1.3
79.05484	9.8
79.85688	1.2
81.03402	9.8
81.07043	22.8
83.04967	4.0
85.02889	32.9
85.06525	2.8
90.69151	1.3
90.91595	1.2
91.05473	16.3
93.07027	56.0
93.07622	2.7
95.04943	2.9
95.08590	35.9
97.02883	7.3
97.06538	3.6
97.10155	1.7
98.00642	2.0
98.98447	13.7
99.04433	3.0
103.03973	1.4
105.07020	14.0
107.04953	1.5
107.08575	86.0
107.96722	1.3
109.02860	25.6
109.06496	3.6
109.10145	10.6
111.04408	2.5
111.08061	3.4
114.05502	4.6
117.06998	3.8
119.04933	11.8
119.08532	9.4
121.06477	4.4
121.10138	4.9
123.04393	3.7
123.08040	3.3
123.10744	1.4
123.11679	2.4
125.09639	2.7
127.03909	13.1
129.06963	1.7
131.08536	5.2
133.06448	2.3
133.10081	6.7
135.08066	4.7
135.11667	100.0
136.12039	2.7
137.05951	33.8
137.09589	2.2
138.06265	1.4
143.08566	3.8
145.04939	6.2
145.06508	1.3
145.10106	6.1
147.04385	42.8
147.07985	2.6
147.11691	2.6
148.04710	1.9
149.06061	1.4
149.09555	3.4
151.02022	1.5
151.03862	1.7
153.05426	2.0
153.12717	82.2
155.08551	2.0
157.10112	2.7
158.10916	1.3
159.08034	1.9
159.11632	6.1
161.09598	7.5
161.13203	2.1
162.05486	2.1
163.06050	2.8
163.07567	1.6
163.11142	2.1
165.06938	3.1
165.09134	1.7
167.07025	34.3
171.11664	2.6
171.13774	35.3
173.13162	1.5
175.11159	1.8
176.98900	3.0
177.05492	1.6
177.09062	2.0
179.07066	2.0
179.10536	1.5
181.06380	1.6
181.08603	2.6
183.07977	1.5
185.13269	1.5
187.11142	1.3
187.14883	2.7
189.09125	3.9
190.03247	2.8
191.10701	1.8
192.04828	4.2
193.77414	1.3
194.15416	1.6
195.07980	1.6
195.11565	1.4
203.14268	2.0
207.10155	2.5
213.12602	1.6
215.10681	1.3
218.02713	5.7
227.07056	1.6
241.08403	2.3
261.14972	1.8
272.10159	1.3
273.11206	1.9
283.09647	1.9
288.09811	5.3
301.10928	2.8
303.12369	2.2
315.12659	1.8
315.19531	3.1
315.23203	2.0
333.09320	2.5
333.13223	8.8
333.20416	5.3
333.24231	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	333.1901
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
53.03946	0.6
55.05510	3.2
59.04993	1.7
67.05487	1.5
67.97952	0.6
69.03411	2.2
69.07075	3.2
69.07383	0.7
69.65075	4.8
71.04980	15.6
73.06550	3.8
79.05487	5.0
81.03384	1.9
81.06575	1.1
81.07047	22.1
83.04956	1.2
83.08598	0.9
85.02904	4.8
91.05463	4.5
93.02845	0.6
93.07030	16.3
95.04974	1.0
95.08597	3.2
97.06512	1.9
98.98463	3.3
105.06997	2.4
107.04942	0.8
107.08579	13.3
109.02870	4.3
109.06461	0.8
109.10130	2.8
111.08017	0.8
112.27851	0.6
117.07029	0.6
119.04914	3.2
119.08551	1.5
121.06506	1.5
122.03634	1.2
123.04397	2.6
125.34516	0.6
127.03907	1.4
133.06401	0.8
133.10127	1.6
135.10664	1.4
135.11674	23.2
137.05956	15.8
138.06319	0.8
145.10077	0.8
147.04393	7.2
149.09637	1.1
151.07544	1.2
153.12727	100.0
154.13060	2.5
154.71306	0.6
155.08507	0.8
157.10074	0.8
159.07986	0.8
161.09573	0.9
161.13321	0.8
164.07053	2.6
165.07033	1.2
167.05629	0.9
167.07021	18.6
171.13803	0.8
175.07555	0.7
181.06471	1.4
181.08575	1.3
183.08095	0.7
193.08591	0.8
197.05960	0.8
198.06606	1.0
211.07523	0.7
213.08997	0.9
227.06993	0.8
246.10939	0.8
249.71605	0.7
288.09879	4.1
301.10666	2.0
302.17508	1.0
303.12204	1.2
315.08932	0.8
333.10367	2.0
333.13458	2.7
334.20096	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1902
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03933	4.3
55.05495	7.3
57.03431	15.3
57.07075	10.9
59.04972	2.9
61.02918	5.1
65.42561	1.9
67.05481	8.8
67.49109	2.0
69.03421	14.9
69.07050	8.4
69.36488	10.1
69.36914	11.8
71.04965	10.3
79.05490	17.1
81.03395	6.3
81.07050	17.1
83.04969	6.6
83.08593	2.5
85.02898	43.3
85.06533	4.5
87.04456	2.1
91.05473	15.1
93.06462	4.4
93.07034	80.5
95.04946	6.6
95.08595	30.8
97.02868	13.5
97.06509	9.3
98.21450	4.0
98.98447	8.3
99.04432	4.5
99.08054	3.6
105.07004	9.2
107.08578	100.0
108.08878	2.1
109.02857	8.1
109.06501	7.0
109.10107	9.9
113.09626	8.5
116.07111	2.1
119.04952	2.5
119.08516	3.9
121.06511	3.6
121.10135	2.3
127.03933	11.4
131.08485	3.1
132.04404	2.4
135.11679	90.6
136.11978	2.8
137.05962	14.4
137.13255	3.0
141.12871	2.2
145.04913	7.3
145.10036	3.7
147.04391	6.2
147.11678	3.4
153.05409	2.6
153.12714	33.0
165.05417	2.3
167.07022	18.5
171.09991	2.2
171.13776	38.5
181.08569	5.3
193.70317	2.4
236.13969	4.1
241.08531	2.9
241.12405	4.1
245.09109	7.6
259.11856	10.5
282.72894	2.2
291.14407	15.9
301.10669	4.6
302.12296	11.3
315.12521	3.4
333.13190	11.4
333.16681	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1902
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03934	3.0
54.28549	1.4
55.01855	4.6
55.05498	7.1
57.03431	8.6
57.07061	16.0
59.04996	12.7
61.02909	12.4
67.05497	12.3
69.03064	3.0
69.03416	33.2
69.07056	15.4
69.53146	13.0
71.04977	18.3
73.02901	5.9
79.05460	2.7
79.83820	1.6
80.07660	1.5
81.03407	17.8
81.07043	7.7
83.01304	2.4
83.04972	3.7
83.08607	7.6
85.02892	98.0
85.06520	14.0
87.04456	3.6
91.03935	5.8
91.05479	3.3
93.06548	1.8
93.07026	9.2
93.58116	1.6
95.04951	3.9
95.08590	65.5
96.08910	1.6
97.02875	29.9
97.06544	7.7
97.10135	1.8
98.97830	1.9
98.98423	9.0
99.04432	7.5
99.08080	15.7
105.07040	2.2
107.08574	12.5
109.02868	12.3
109.03537	2.0
109.06518	9.7
109.10149	23.5
111.08070	13.8
111.11720	2.0
113.09628	100.0
113.55836	1.7
115.03934	2.0
119.08559	2.9
121.06496	1.7
125.09609	2.6
127.03890	19.4
127.10263	3.2
127.11176	48.5
133.04974	2.7
135.11685	18.8
137.05983	7.9
137.09561	3.7
137.13260	5.9
145.04930	25.3
147.04402	4.3
153.05444	2.4
153.12721	99.9
154.13055	1.8
155.14293	20.2
167.07027	7.6
171.13782	69.9
171.15248	3.8
177.12729	2.3
195.13809	2.7
213.14793	4.9
228.51988	1.7
259.10745	1.6
288.09857	2.1
301.11856	4.3
302.11490	1.6
304.14499	1.9
315.09912	2.1
333.06503	1.6
333.10696	5.3
333.14560	3.8
333.18832	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	333.1902
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03936	4.1
53.75803	2.0
55.01860	9.3
55.05502	11.8
57.03429	10.5
57.07063	9.5
59.04966	3.0
59.47461	1.9
61.02907	5.7
61.75787	2.6
65.03928	2.3
67.05493	8.2
69.03421	16.3
69.07058	17.2
69.81454	15.0
71.04985	29.0
73.02914	6.2
73.06573	2.6
79.05476	11.1
79.85720	2.2
81.03408	9.4
81.07044	25.3
83.04972	8.3
83.08615	3.0
85.02893	53.9
85.06547	10.9
87.04469	2.9
90.25139	2.2
91.03942	2.4
91.05463	14.4
93.07022	28.3
95.04964	8.5
95.08586	20.8
97.02883	15.9
97.06520	18.2
98.98445	15.2
99.04452	2.4
99.08070	4.6
100.98865	2.1
103.03923	5.0
105.07030	20.9
107.04936	3.9
107.08574	24.6
109.02857	8.9
109.06504	9.1
109.10155	13.1
111.04422	4.9
111.08069	6.0
113.09619	3.5
115.03957	5.2
116.99441	2.7
117.06998	3.7
119.04939	3.8
119.08575	19.5
121.06491	7.1
121.10133	3.7
123.04411	3.6
123.08032	5.3
123.11782	4.6
125.09615	3.1
125.13259	2.3
127.03934	11.1
127.11149	5.9
129.07025	3.2
129.30409	2.3
131.08557	11.0
133.04962	3.7
133.06516	3.1
133.10112	3.7
135.08041	7.3
135.11661	25.3
137.04907	3.0
137.05936	20.7
137.09584	4.3
137.13185	10.1
143.08527	5.1
145.04959	11.3
145.10139	7.0
147.04404	3.6
147.08057	13.3
147.11697	7.0
149.09592	2.7
151.07532	2.8
151.11177	5.6
153.05389	2.8
153.09117	5.2
153.12724	100.0
155.08485	2.7
155.14264	5.4
157.10162	3.2
159.08049	6.3
159.11662	5.7
161.09608	3.2
163.06030	3.3
163.11188	2.6
165.12738	18.3
167.07027	19.5
167.10686	2.2
167.55251	2.3
168.08226	2.4
171.08104	3.4
171.10153	5.0
171.11600	4.4
171.12236	2.8
171.13762	30.7
173.09583	12.0
173.13289	5.1
175.07451	2.8
176.99097	2.8
177.12782	5.4
181.08737	3.1
183.11668	2.4
189.12769	5.0
191.10585	4.8
195.13742	2.0
196.41164	2.1
197.13229	2.1
201.12697	4.6
207.10199	2.6
208.51961	2.5
217.09660	2.7
219.13763	5.7
231.13818	5.8
238.96385	2.4
243.13823	3.8
261.14832	7.9
273.11465	2.1
279.15912	6.9
297.16977	9.9
301.10608	3.4
315.18033	17.0
333.10461	5.1
333.14087	3.9
333.19965	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01845	0.5
55.32611	0.5
57.03416	1.7
61.02909	2.3
65.03925	0.9
67.05480	2.0
69.03416	6.5
71.01327	0.6
71.04966	1.0
71.12634	0.4
71.30975	1.1
73.02905	1.9
75.90451	0.4
79.05482	0.9
79.93294	0.4
81.03386	1.7
81.07053	0.9
85.02415	0.8
85.02894	10.0
87.04437	2.0
93.05786	0.6
96.08120	0.7
97.02879	3.3
99.04436	1.4
106.06541	3.9
108.08098	100.0
109.02851	0.8
109.08425	0.9
112.08247	0.4
123.06810	4.8
124.07568	15.1
127.03900	2.2
134.05989	9.9
136.07555	11.5
145.04915	0.9
152.07039	66.2
153.07378	0.8
154.08691	0.9
157.03310	0.5
161.05463	0.8
170.05980	1.1
170.08087	7.9
170.09386	0.8
219.06992	0.5
223.06674	0.7
226.98500	0.5
242.08154	1.2
251.08736	0.6
251.86400	0.5
314.12280	36.5
315.12732	0.9
321.10379	1.6
332.13373	80.0
333.05875	2.5
333.09268	0.5
333.13858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1325
Annotation	Catechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
55.05531	0.7
58.76222	0.6
69.03418	1.0
70.06603	0.8
71.04987	1.0
71.19960	1.7
78.04710	1.9
79.05498	1.6
81.03399	0.9
81.07052	1.4
85.02930	1.7
85.06548	2.0
86.09702	1.1
86.86351	0.8
91.05473	1.8
93.07072	0.9
94.04182	2.5
95.04937	0.8
97.02873	1.3
97.06611	0.7
98.98449	5.5
106.04193	0.9
107.04970	1.6
110.24018	0.6
111.04439	0.6
119.04944	1.3
121.06472	1.2
122.03622	6.7
123.04406	7.2
123.05247	0.9
124.05213	1.9
125.09635	0.9
131.06981	0.7
135.04419	0.9
137.05959	94.5
138.06303	1.9
147.04395	1.6
151.03864	1.9
152.04695	2.3
153.05434	1.4
153.07047	1.1
162.05492	7.1
163.07565	0.9
164.07054	1.5
165.06918	1.7
167.07016	100.0
168.07402	1.2
176.98935	0.8
181.08621	1.4
183.06473	0.9
183.08031	2.7
190.05003	4.8
192.97835	0.7
207.04396	0.9
211.07526	2.2
227.07065	1.5
228.07468	0.8
231.67062	0.7
241.08646	0.8
243.10144	1.6
245.07834	0.8
255.10808	0.7
271.09573	0.7
273.11371	1.1
283.09583	1.4
288.09900	9.4
303.12228	4.7
310.65820	0.6
315.12399	1.7
333.14206	2.5
334.09113	3.4
334.13461	1.4
344.28522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1334
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03928	0.6
55.01862	0.5
57.03428	1.2
57.57257	0.4
61.02914	2.1
65.03922	1.1
67.05492	2.2
69.03413	5.5
71.05258	0.9
73.02913	1.8
79.05505	0.4
81.03406	2.1
81.07024	0.9
85.02895	8.3
87.04453	1.2
91.03925	0.7
93.05743	0.9
96.08118	1.4
97.02869	3.6
99.04437	0.5
106.06538	4.1
108.08096	100.0
109.02851	1.1
109.08418	0.6
109.50042	0.4
113.43123	0.4
123.06800	4.2
124.07569	14.5
125.02318	0.5
127.03915	1.9
134.04984	0.8
134.05991	10.5
134.06976	0.7
136.07553	14.7
137.08284	0.7
145.04927	0.5
152.07037	73.4
153.07405	1.2
154.08629	1.8
170.06006	0.7
170.06593	0.5
170.08086	7.2
170.09361	0.7
174.71889	0.4
184.05800	0.5
184.46078	0.4
210.66522	0.4
242.08076	1.2
249.47090	0.4
251.08661	0.6
314.12277	42.0
315.12677	1.3
321.10242	1.2
332.13336	86.6
333.05649	0.6
333.13528	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	331.2837
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05503	10.9
56.96570	2.3
57.03422	5.3
57.07067	90.7
58.07392	2.0
67.05499	25.4
69.07061	14.2
70.06571	7.2
70.78100	4.2
71.06911	2.5
71.08622	57.9
75.04459	4.4
79.05485	1.9
81.07044	31.2
83.08135	1.7
83.08606	23.7
85.06547	1.6
85.10171	33.6
88.07619	11.9
89.07941	1.5
93.07031	2.7
93.94954	1.2
95.08591	46.5
95.42887	1.4
97.10154	13.3
98.98450	66.7
99.11694	3.9
99.12319	1.3
102.09164	2.8
103.07596	1.7
105.07008	2.6
106.08634	6.2
107.09055	1.6
109.10140	22.9
111.11719	3.1
119.08603	1.4
123.11684	11.8
125.13222	3.4
132.00978	1.3
137.13228	5.1
139.14812	1.8
145.10063	2.6
151.14801	2.2
162.90875	1.3
165.16351	1.3
174.99232	3.0
176.98880	6.2
221.22588	2.4
239.23651	29.8
252.99623	1.7
257.24716	7.7
270.13910	1.4
298.27393	1.6
313.27307	77.9
313.32968	5.8
327.09286	1.3
331.33957	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.5
57.03417	1.8
60.04510	3.8
62.87677	1.9
67.05483	3.5
69.03414	7.4
69.07050	2.9
70.06569	1.8
71.04983	3.2
71.62855	3.3
76.24785	2.1
81.03399	3.4
83.04945	3.2
85.02900	15.4
85.06501	2.0
86.09688	27.9
87.05559	2.5
88.23058	1.9
90.74266	1.7
91.05457	4.7
95.04948	4.5
95.08572	5.0
97.02865	6.0
98.98463	26.9
99.04433	2.1
106.07345	2.0
107.04955	4.6
107.08603	3.0
108.08096	7.5
109.02857	6.4
109.10085	1.9
113.09615	3.7
119.04934	2.3
121.02853	79.6
122.03115	2.0
122.10436	3.3
123.04372	2.8
124.07526	2.1
127.03896	2.3
127.11169	2.9
132.10181	2.7
135.08005	3.8
137.05978	15.8
138.06340	7.3
139.03860	2.1
145.04962	3.4
147.04391	3.9
150.50552	2.1
151.07494	5.7
152.07860	7.1
153.05444	100.0
153.12695	7.8
161.05981	3.6
161.09558	3.0
162.06300	4.6
162.09880	2.1
163.07484	3.7
164.07874	2.7
166.07253	2.7
167.07043	4.8
168.08900	2.4
169.12254	3.5
170.12605	3.5
171.13741	5.2
171.15305	1.7
173.12833	18.7
176.98846	2.9
189.09126	2.4
190.09392	5.7
196.08360	2.6
201.12337	9.4
208.10466	3.9
216.76515	2.0
219.13393	2.7
228.11018	2.5
247.00865	2.1
254.08942	2.2
256.10440	2.4
267.58533	2.0
286.11450	4.1
288.13089	5.0
301.11774	3.6
314.11948	2.4
332.12112	10.1
333.10577	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	331.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	9.8
55.67250	1.3
57.03433	6.5
57.07066	91.5
58.07401	2.3
61.85841	1.1
62.09754	1.2
67.05497	25.2
69.07051	18.8
70.06562	6.0
70.80238	3.9
71.08619	70.2
72.08928	1.5
75.04461	3.6
77.32173	1.2
79.05486	2.6
81.07044	34.4
83.08602	25.3
85.06532	3.0
85.10168	35.2
88.07615	6.1
89.05986	3.0
91.05445	3.9
93.07017	4.9
95.08592	55.2
97.10148	13.9
98.98448	100.0
99.11698	3.0
100.98845	2.2
102.09158	2.6
105.06995	2.5
106.08642	3.6
107.08523	2.2
109.10142	27.3
110.10537	1.3
111.08038	1.4
111.11671	3.1
116.99520	2.6
119.08549	3.6
121.10130	2.5
123.11681	14.0
125.13255	3.1
131.08539	1.4
133.10098	3.2
137.13205	6.7
140.01039	1.5
145.10115	2.1
151.14742	1.9
161.13217	2.4
165.16367	2.1
174.27203	1.4
174.99214	6.5
175.03888	1.7
176.98895	11.1
221.22556	3.5
239.23657	31.7
252.99658	2.5
257.24713	7.5
298.27356	1.7
313.27344	76.4
313.32928	3.0
314.27744	5.0
331.22714	2.9
331.26190	4.7
331.33932	65.7
332.33057	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	331.2261
Annotation	(+)-Phomopsidin
Peak:m/z	Relative Intensity
53.03942	1.7
55.05503	7.4
57.07058	1.8
67.05490	17.7
67.56197	1.2
69.03413	4.3
69.07064	8.9
69.79574	1.3
70.03914	4.5
70.55252	1.1
70.55960	1.2
71.04981	1.3
78.64064	1.2
79.05476	15.0
81.03383	1.5
81.07047	40.5
83.04967	3.0
83.08599	4.4
85.02891	3.2
85.06538	4.4
91.05477	16.1
93.07025	20.0
95.04939	3.7
95.08596	24.2
97.06523	10.6
98.98452	100.0
100.98875	3.1
105.07017	25.4
107.04905	1.3
107.08580	24.0
109.06503	7.6
109.10130	8.1
110.52041	1.2
111.08112	1.5
116.99463	3.2
117.06994	8.0
119.08569	20.4
120.08984	1.5
121.06493	3.0
121.10130	12.5
123.00677	1.1
123.04321	1.1
123.08033	2.7
123.11673	4.2
125.09631	1.5
128.06232	2.4
129.06993	10.3
131.08554	21.3
133.06473	1.6
133.10115	25.5
135.08041	4.8
135.11658	5.0
137.05965	2.1
137.09587	3.5
139.07513	1.9
141.06943	4.3
142.07742	6.4
143.08546	21.6
145.06474	1.4
145.10086	23.9
147.04474	1.9
147.07997	3.1
147.11647	10.1
149.06104	1.2
149.09610	2.0
149.13225	1.8
151.07480	1.6
153.09055	3.9
155.08554	12.9
156.09253	2.4
157.10112	37.4
159.11684	18.8
161.09583	3.4
161.13243	6.9
163.11142	3.0
165.06975	3.0
165.09103	1.8
167.08517	3.4
167.10635	3.1
168.09290	2.1
169.10080	14.4
171.08022	1.8
171.11665	23.0
173.09642	5.4
173.13220	6.8
174.99203	4.9
175.11243	3.0
176.98903	11.0
177.09048	1.7
177.12694	2.2
179.08577	1.7
181.10045	4.4
181.12209	1.6
182.10870	1.9
183.07993	2.0
183.11685	15.3
185.09531	3.7
185.13243	15.0
187.11147	2.9
187.14838	3.6
189.09151	2.2
189.12801	2.1
193.12187	1.5
195.02893	2.7
195.11635	5.9
196.12448	2.3
197.13231	12.5
199.11154	2.4
199.14857	7.3
200.15436	1.6
201.12801	1.9
201.16370	1.5
203.10646	3.7
205.12230	1.8
207.11693	2.3
209.13275	4.1
210.06688	1.6
211.11151	1.3
211.14777	18.3
213.12711	3.4
213.16309	2.4
215.14206	1.9
219.13734	2.2
221.13249	2.4
223.14767	2.8
225.12718	1.7
225.16307	5.3
229.15860	2.9
231.13698	7.4
233.15288	2.5
237.16258	4.6
239.14270	1.4
243.13791	1.7
251.17932	5.7
252.99571	2.0
253.15770	2.2
253.19473	26.6
254.19937	1.4
255.17346	1.8
257.15335	4.3
267.20966	6.3
269.18903	3.2
270.89005	1.5
271.16763	4.1
271.20276	1.5
277.19431	4.3
283.06192	3.2
285.18427	1.5
295.20514	33.5
296.20782	1.4
313.21570	65.3
314.21973	4.0
331.08319	1.7
331.11667	15.1
331.15277	2.6
331.22607	36.4
332.12152	2.2
332.22763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2261
Annotation	(+)-Phomopsidin
Peak:m/z	Relative Intensity
50.87503	0.7
55.01865	1.3
55.05494	3.4
60.29739	0.9
67.05496	7.8
69.03413	3.4
69.07053	6.7
69.45220	3.1
69.45645	4.9
73.74198	0.8
79.05489	6.2
81.03428	1.9
81.07048	17.5
82.15888	0.8
83.04948	1.5
83.08598	1.4
85.02889	2.2
85.06519	2.6
91.05466	7.9
93.07030	10.6
95.04935	2.8
95.08591	12.8
97.02892	1.3
97.06534	10.8
98.20732	1.7
98.98453	100.0
100.98882	3.5
105.07010	11.1
107.04931	1.5
107.08569	11.7
108.08092	1.0
109.06486	6.4
109.10125	5.0
111.08077	3.2
115.76945	0.8
116.99475	4.2
117.07017	2.6
119.04989	1.1
119.08563	9.3
121.06487	5.3
121.09346	0.9
121.10135	6.8
123.04459	1.6
123.08047	2.7
123.11704	5.0
125.09647	0.8
128.06267	1.4
129.06993	3.1
131.08548	7.1
133.06447	1.0
133.10109	11.0
135.08040	3.9
135.11671	2.8
137.05959	5.5
137.09634	1.9
139.07524	1.2
140.01028	1.1
141.07011	1.2
142.07764	2.9
143.08554	6.3
145.06549	1.2
145.10112	8.7
147.04422	1.1
147.07959	1.2
147.11729	5.7
149.05963	1.4
149.09615	2.4
149.13277	1.1
151.03894	3.6
151.07457	2.1
151.11171	2.5
153.06927	1.6
153.09103	1.4
155.08492	4.8
157.06511	1.0
157.10107	11.9
159.08049	1.3
159.11638	9.4
161.09564	3.0
161.13240	3.9
163.07518	1.2
163.11147	1.7
165.05446	2.6
165.07004	3.9
165.09126	1.2
167.07008	3.4
167.08476	1.6
167.10730	1.3
168.09261	0.9
169.06454	1.4
169.10109	2.8
170.10893	1.0
171.08093	1.2
171.11700	7.7
173.09630	1.8
173.13229	3.5
174.99190	6.7
175.11220	2.5
175.14914	1.8
176.98903	9.5
177.12767	1.7
179.08516	1.0
181.06490	1.5
181.10098	1.7
182.07259	1.5
183.07947	1.6
183.11732	5.2
185.06015	1.3
185.13240	5.0
187.11113	1.5
187.14787	1.8
189.09132	1.1
195.02866	2.8
195.11665	1.6
196.12451	0.9
197.05946	1.4
197.13271	4.6
199.07382	1.4
199.14798	2.7
201.09142	1.1
201.12762	2.3
203.14281	2.1
205.12126	1.6
209.13223	1.9
211.07513	3.1
211.14815	6.9
212.08228	1.5
213.05484	1.5
213.12740	1.9
213.16396	2.3
214.06239	1.3
215.14336	1.3
217.15765	1.0
218.15462	1.2
219.13873	1.0
221.13341	1.5
223.14694	1.4
225.16298	1.9
226.06348	1.1
227.17976	1.1
228.07684	1.0
229.15921	1.7
231.13762	2.1
237.16461	1.6
239.18152	1.0
243.13785	2.1
251.17972	2.7
252.99757	1.9
253.08665	1.2
253.15900	1.3
253.19505	8.8
254.99246	1.4
255.06584	1.1
267.20959	3.2
269.19043	2.8
271.09888	1.4
271.16824	1.5
271.20584	1.2
272.10135	1.0
273.07458	1.3
277.19504	2.6
285.22025	1.4
287.20078	4.4
295.20496	14.1
299.09381	1.4
313.17944	2.3
313.21555	24.1
314.22006	1.5
331.07556	2.2
331.11737	29.3
331.15134	1.7
331.19125	1.6
331.22614	24.9
332.12143	3.5
332.22507	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	331.2259
Annotation	(+)-Phomopsidin
Peak:m/z	Relative Intensity
55.05505	10.1
64.82506	1.7
67.05505	13.3
69.03444	1.9
69.07050	8.3
69.80100	1.6
71.04977	2.1
75.37294	1.4
79.05467	7.5
81.07055	16.5
83.04952	3.8
83.08611	4.2
91.05478	11.4
93.07032	15.6
95.04948	1.8
95.08595	24.6
97.06513	6.0
97.10120	2.3
98.21489	3.6
98.98454	100.0
100.98911	1.9
105.07011	21.5
107.08586	17.0
109.06498	2.8
109.10137	8.0
115.00658	1.6
116.99494	3.4
117.06993	6.5
119.08543	22.3
121.06541	2.9
121.10130	13.2
123.08048	1.8
123.11687	2.4
125.09610	2.1
129.07005	10.5
131.08540	16.8
133.10100	21.6
135.08029	2.5
135.11678	5.8
139.07504	2.5
141.06902	3.7
142.07710	9.5
143.08521	16.2
144.09282	2.4
145.10103	24.7
147.08061	4.1
147.11696	8.2
149.09584	3.4
149.13223	2.2
151.11153	2.4
155.08540	14.2
156.09343	2.0
157.10103	51.9
158.10434	2.7
159.07884	2.4
159.11671	27.5
161.09576	3.1
161.13258	5.8
163.11150	2.1
167.10599	3.0
168.09348	2.3
169.10051	14.0
169.42287	1.6
171.11662	19.1
173.09525	4.0
173.13268	5.7
174.99208	4.7
175.11118	4.0
176.98827	9.7
177.09059	2.2
177.12701	3.4
181.10124	2.9
181.12178	4.0
183.10512	1.7
183.11707	21.0
185.13239	18.5
187.11041	1.9
187.14751	2.0
189.09061	2.2
189.12747	3.9
191.10643	2.8
195.11610	4.8
195.13416	1.6
196.12521	2.7
197.13200	19.2
198.13898	2.4
199.11133	2.4
199.14792	11.2
201.12747	3.4
205.12184	3.8
208.69048	1.7
209.13226	3.9
211.11197	3.9
211.14775	30.0
212.15512	3.4
213.16344	8.2
215.10684	1.8
215.14336	2.6
217.12166	2.9
225.12825	1.9
225.16324	8.0
227.15666	3.8
227.17918	70.9
228.18352	2.1
229.12312	1.7
229.15910	2.7
231.13721	2.0
235.14705	2.9
239.14157	2.2
239.17947	1.9
243.13789	3.4
245.19000	45.8
246.19255	2.1
251.18030	3.2
253.15820	3.5
253.19476	30.2
254.99554	1.9
255.17479	6.3
257.15405	3.0
262.12793	1.7
267.21097	8.9
269.18860	2.7
271.17206	12.0
271.20428	13.0
272.20572	1.9
273.18417	3.4
277.19550	3.3
280.31973	1.7
285.22018	7.5
287.20090	2.2
289.17990	6.3
289.21469	2.4
295.20514	15.5
303.22998	2.2
313.21582	65.9
314.21863	3.2
331.22635	52.5
332.23123	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	330.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.96564	0.2
57.07069	2.2
60.04517	16.9
67.05493	2.7
69.07059	1.8
70.02941	0.9
71.04971	0.3
71.08620	1.5
73.04942	0.2
74.02428	100.0
75.02757	0.3
79.05492	0.4
81.07039	3.6
83.08597	2.4
85.06548	0.2
85.10174	0.6
95.08595	5.1
97.10159	1.6
98.21509	0.4
98.98454	4.3
99.00791	0.2
105.07041	0.3
107.33952	0.2
109.10143	2.5
111.11671	0.4
118.21844	0.2
119.08603	0.2
121.10142	0.3
123.11657	1.1
125.13253	0.3
133.10127	0.2
137.13275	0.3
150.23630	0.2
151.14806	0.4
165.16336	0.3
174.99193	0.4
176.98940	0.5
178.07397	0.2
183.99344	0.2
221.22572	0.2
225.22128	0.7
231.21144	0.3
239.23720	0.2
257.24713	6.8
258.25107	0.5
266.24493	0.2
268.26257	1.2
284.25821	1.2
295.22607	0.2
312.25275	0.6
330.26346	11.7
330.33099	0.5
331.18915	0.3
331.26627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1534
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01858	2.0
57.03424	1.6
57.07035	0.9
59.38907	0.8
61.31164	0.8
65.03920	1.4
67.05491	1.9
69.03414	1.8
69.07067	1.2
71.62719	1.3
79.05488	3.9
81.03408	4.9
81.07048	5.6
85.02902	3.0
90.81663	0.8
91.05466	29.2
92.05800	0.8
93.07054	1.9
94.04176	2.8
95.04971	6.2
95.08603	2.5
98.98451	42.3
100.98876	1.6
103.05458	4.7
105.07037	6.3
107.04922	6.9
107.08580	1.2
109.02882	2.0
109.06507	4.9
109.10165	3.4
111.04449	1.7
111.08083	2.1
115.05437	1.9
116.99484	1.1
117.06990	1.2
119.04930	15.9
119.08575	1.0
121.06479	7.1
122.03632	7.3
123.08041	1.1
123.11697	6.3
128.06186	4.2
129.06992	15.7
131.04915	5.9
131.08600	2.5
133.06480	2.8
133.10110	1.7
134.03665	1.3
135.04356	0.9
135.08040	7.6
136.05223	2.9
137.05959	77.0
138.06276	1.6
141.06981	1.2
143.04904	2.1
145.06470	2.4
147.08028	1.8
147.09131	1.2
148.05183	1.0
149.05948	14.6
150.06738	0.9
151.03944	2.5
151.07523	100.0
151.11028	1.6
152.06198	2.7
152.07906	1.6
153.06984	2.4
154.07799	1.2
156.05754	0.9
157.06480	11.7
158.07188	1.1
159.08067	1.0
161.05956	13.7
161.09596	3.7
162.18198	0.9
163.03915	1.3
163.07526	21.0
165.06992	11.1
165.09032	4.7
166.07767	2.6
167.04733	1.0
167.07135	1.5
167.08522	16.7
169.06531	1.4
169.12241	3.1
174.06746	6.6
174.99205	1.9
175.07484	5.2
175.08838	0.9
176.98889	4.6
177.05539	0.8
177.06976	1.4
177.09058	3.1
178.07753	4.9
179.08560	2.7
181.06467	4.6
181.10110	2.2
182.07243	3.6
183.08009	1.8
187.07579	1.4
189.09084	35.4
190.09482	1.3
192.09233	1.3
193.06439	6.4
193.10129	9.1
194.07126	2.2
195.02908	5.6
195.08022	25.3
196.08719	2.8
197.05894	6.2
197.09625	1.3
203.08621	1.5
205.06537	1.7
206.07297	1.9
207.08253	1.7
207.10168	5.5
209.05835	2.4
209.09633	4.0
210.06699	8.5
211.07506	4.1
212.08270	4.7
219.07986	1.2
220.08890	1.8
221.06000	8.1
221.09552	11.7
222.06805	1.8
223.07487	11.0
224.08072	4.5
225.05511	2.2
225.09062	12.1
226.06055	1.1
227.07025	3.5
227.10617	30.1
228.10916	1.2
234.06647	1.6
235.07567	1.3
235.11258	0.9
237.05420	2.2
237.09071	2.6
238.06245	6.0
238.09874	2.0
239.06906	1.9
239.10504	1.0
239.11943	1.2
240.07806	3.9
241.08482	1.8
241.12227	2.0
242.09213	1.1
249.09070	5.3
251.07285	1.0
251.10750	0.9
252.07779	1.5
252.99693	1.4
253.08591	16.7
253.12239	17.3
254.09511	1.5
255.06342	1.7
255.10115	29.9
256.07187	1.2
256.10580	1.8
257.08023	1.2
259.13248	1.1
267.10504	5.8
269.08075	4.3
269.11435	2.0
270.08701	1.4
272.10443	3.7
281.11600	6.3
284.10416	1.5
285.11191	19.1
287.12741	60.4
288.13046	2.2
289.11914	1.5
295.10663	2.2
298.11960	1.2
299.12650	2.0
301.14334	3.0
313.14346	19.4
316.08939	1.8
331.12039	13.8
331.15601	6.6
331.20956	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
55.05483	0.6
57.03412	0.4
62.59641	0.4
67.05494	0.8
69.03410	1.5
69.07048	1.1
69.75310	2.1
70.06570	1.3
71.04994	0.6
73.02887	0.3
73.44064	0.4
78.16623	0.3
79.05472	1.4
81.03378	0.3
81.07058	0.6
84.04505	0.6
85.02886	3.2
86.09690	0.8
91.05471	1.1
93.07020	0.5
95.04971	0.6
95.08581	0.4
96.20226	0.3
97.02866	0.9
97.06518	0.6
98.98449	41.1
100.11261	0.6
103.05446	1.5
105.07012	18.2
107.04927	1.1
107.08626	0.5
109.02837	0.5
109.10133	0.4
115.05424	0.9
116.07090	0.8
116.99479	1.1
119.04912	1.0
121.06426	0.5
121.56776	0.4
122.05964	0.4
123.04457	0.4
124.07547	0.7
124.49346	0.4
127.03878	0.6
133.06468	100.0
134.06808	1.7
136.07542	0.4
137.05959	0.8
138.09113	0.6
140.00951	0.4
140.07036	1.5
145.04922	0.6
147.04362	2.8
148.04720	1.4
149.06023	0.4
150.05478	0.8
150.09111	0.9
151.06470	0.4
151.07507	2.8
162.05382	0.4
163.03903	0.4
164.07037	0.4
166.08636	1.8
167.06989	0.6
168.01059	0.6
168.06531	3.6
168.10176	0.8
169.08609	0.9
174.99181	2.4
176.98907	2.6
180.08606	0.7
181.04985	0.6
187.14397	0.5
193.04861	1.0
211.05972	0.7
213.05482	0.4
235.05934	0.9
247.06104	0.6
252.99722	1.0
294.09705	0.5
295.08231	0.4
312.10703	0.6
312.14319	0.6
315.08496	0.5
330.11691	1.1
330.27518	0.5
331.11990	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01858	0.6
55.05501	2.7
57.03413	0.9
57.07064	1.7
67.05490	4.4
69.03415	0.9
69.07057	8.4
70.07413	0.3
70.14001	0.5
70.14380	0.5
70.61421	0.3
71.04968	0.6
71.08621	0.7
77.01598	0.4
79.05486	2.9
79.64084	0.3
81.03408	0.7
81.07043	14.0
83.04948	0.7
83.08602	3.7
85.02884	0.4
85.06535	2.3
91.05486	1.8
93.07029	5.3
95.04939	0.8
95.08595	13.6
97.06517	6.4
97.10164	2.2
98.98450	100.0
99.08086	1.5
100.98886	1.0
103.83579	0.3
105.07010	2.0
106.78755	0.4
107.08578	3.0
109.02905	0.5
109.06509	0.6
109.10136	8.3
111.04459	0.3
111.08096	0.8
111.11685	2.1
116.99467	2.9
117.07003	0.9
118.86091	0.3
119.08565	1.8
121.06510	0.5
121.10122	4.9
122.70564	0.3
123.04432	0.6
123.08018	0.4
123.11691	4.1
125.13258	0.7
128.06226	0.3
129.06995	0.4
131.08566	1.6
133.10098	1.0
135.04530	0.3
135.08054	0.7
135.11685	1.0
137.05981	0.4
137.09641	0.6
137.13277	1.9
140.01041	0.9
141.06978	0.7
143.08553	0.7
145.06442	0.4
145.10135	1.1
147.08022	0.4
147.11671	1.0
149.05937	0.4
149.09598	1.3
149.13229	2.0
151.03870	0.9
151.14793	2.3
153.06969	0.3
153.12755	0.4
155.08565	0.5
157.06436	0.3
157.10107	0.9
159.11700	0.9
161.05952	0.3
161.09650	0.4
163.14790	1.1
164.08051	0.3
165.05380	0.4
165.16298	0.4
167.01872	0.3
167.07080	0.4
167.10670	0.8
169.06374	0.3
169.10143	1.1
171.08205	0.4
171.11633	0.4
173.05960	0.4
173.09578	0.6
173.13165	0.5
174.99203	10.1
175.07578	0.4
175.11162	0.5
176.98888	5.2
177.05414	0.8
177.16248	0.3
183.08075	0.4
183.11725	0.4
185.09567	0.6
187.11212	0.6
189.09085	0.4
195.08121	0.5
195.11678	0.4
197.09518	0.6
199.07515	0.3
199.11197	0.5
201.09065	0.8
201.12738	0.4
201.16469	0.5
203.06830	0.3
208.05170	1.9
209.09575	0.4
211.11191	0.4
213.09065	0.8
214.09732	0.6
215.10654	4.2
229.12186	0.6
231.10028	0.7
232.10854	0.6
233.11609	0.6
236.04691	0.8
243.10112	0.4
251.00023	1.2
252.99722	2.0
254.05762	0.8
257.11789	0.4
267.13846	0.4
269.08047	1.3
273.25662	0.3
275.27380	0.4
283.17068	0.5
285.14822	0.9
287.12759	0.6
293.15384	0.5
293.28256	0.9
311.16306	2.1
311.20041	1.3
311.29422	0.9
315.08530	4.0
329.10245	1.5
329.17383	4.3
329.21088	2.3
329.24579	0.6
330.10828	4.5
330.20901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84377	0.3
52.88414	0.3
55.01865	0.5
55.05515	0.5
57.03414	0.5
65.03930	1.0
66.49522	0.3
67.05508	0.6
69.03419	1.3
69.45501	3.3
71.04987	0.4
73.02882	0.4
79.05494	0.6
81.03407	0.9
81.07059	1.0
83.04961	0.4
85.02892	1.3
91.05470	11.0
93.07016	1.3
93.84995	0.3
95.04967	0.6
95.08609	0.4
96.85059	0.3
97.02905	0.7
97.06522	0.4
98.98456	78.7
100.98903	0.6
105.07027	0.7
107.04951	4.1
109.02872	0.4
109.06469	0.4
111.04480	1.0
116.99510	2.3
117.03399	0.5
119.04930	23.7
119.08579	0.6
120.05237	0.5
121.10136	2.1
123.04358	0.4
123.08078	0.6
129.05470	0.7
136.07594	2.2
137.05969	1.1
137.09583	0.8
139.03877	0.5
139.11131	0.4
145.02826	2.4
145.06332	0.3
147.04396	100.0
148.04759	2.4
149.06003	0.7
149.09592	1.6
150.09033	0.6
151.03957	0.5
151.07526	0.7
165.05472	0.5
165.09041	0.5
167.03342	0.4
167.10645	1.5
168.10179	1.1
174.99214	9.4
175.07515	0.7
176.98904	4.0
177.05455	5.2
179.06920	0.4
184.04483	0.4
191.06973	1.2
198.55247	0.4
251.00117	0.9
252.99661	1.3
282.05319	0.4
315.08554	0.5
329.10300	2.3
329.15866	3.9
330.10986	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1225
Annotation	Paeonoside
Peak:m/z	Relative Intensity
50.40532	0.3
55.01875	0.2
57.03419	0.3
61.02903	0.2
65.03930	0.5
69.03409	0.7
70.06569	0.2
71.42236	0.5
77.01540	0.3
81.03415	0.3
81.07040	0.3
83.04987	0.5
85.02899	1.0
91.05468	10.4
93.07024	0.4
95.08582	0.3
97.02890	0.3
98.98452	34.1
100.98908	0.4
105.07034	0.4
107.05003	0.2
107.08559	0.3
111.04424	0.6
116.99489	1.1
119.04928	23.8
120.05267	0.5
121.06485	0.4
121.10138	0.6
123.04424	0.3
129.05460	0.3
137.05922	0.4
147.04390	100.0
148.04736	3.6
149.09612	0.4
156.32988	0.2
165.05496	0.6
167.10683	0.8
168.06509	0.3
174.99199	3.6
176.98926	2.1
177.05420	0.3
180.20171	0.3
183.17912	0.3
241.07317	0.3
251.00043	0.5
252.99716	0.6
259.41315	0.3
265.09653	0.9
281.28363	0.2
329.15543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.05498	3.7
57.03443	0.3
57.06810	0.4
57.07065	3.5
57.76029	0.3
60.04514	14.1
67.05492	9.0
69.07053	4.9
70.02945	3.4
70.06556	0.3
71.04955	0.2
71.08617	2.0
72.04503	0.3
74.02426	100.0
76.03996	0.2
77.01563	0.3
79.05478	6.1
80.05003	0.3
81.07040	12.8
83.04946	0.7
83.08597	3.5
85.06539	0.4
85.10160	0.9
88.03988	0.6
91.05462	1.5
93.07026	6.5
95.04973	0.5
95.08590	8.1
97.06519	3.2
97.10152	2.4
98.06039	0.4
98.21455	0.4
98.98447	61.4
99.00788	0.7
99.08029	0.3
100.98874	0.5
104.03455	0.6
105.07005	1.0
107.08581	4.7
109.02845	0.3
109.10139	3.9
110.09610	0.4
111.08057	1.5
111.11686	0.7
112.95533	0.3
116.99483	2.5
119.08563	1.1
121.10119	11.6
122.10505	0.3
123.08007	0.3
123.11683	4.3
125.09606	0.4
127.11118	0.3
127.93420	0.3
131.08539	0.3
133.10063	0.6
135.11665	8.9
137.13228	1.9
140.01038	1.3
141.12764	0.3
145.10109	0.4
149.13245	2.6
151.14862	0.3
155.14308	1.0
157.10220	0.3
157.85756	0.3
163.14754	1.2
169.15892	0.4
169.53360	0.3
173.13278	0.4
174.99196	6.6
175.99576	0.5
176.98875	2.8
177.16377	0.6
187.14742	0.3
198.18498	0.7
205.19455	3.0
219.21031	6.0
223.20497	1.7
237.22089	4.7
246.22157	0.9
247.20532	0.6
248.23730	0.9
249.22147	0.4
250.99985	0.8
252.00464	0.4
252.99646	1.6
255.23172	1.9
264.23172	1.2
266.24716	6.0
274.21735	0.3
275.19986	0.7
282.24246	4.1
292.22662	2.7
293.21185	0.5
310.23709	2.0
328.24771	9.1
328.31729	1.5
329.24908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10744	0.3
53.03949	0.7
55.01863	0.6
55.05502	4.7
57.03425	1.0
59.04991	0.4
65.03928	0.7
67.05495	12.1
69.03445	1.8
69.07069	3.9
71.04978	1.1
71.32825	0.9
79.05483	8.2
81.03397	1.1
81.07044	9.7
83.04956	1.0
83.08611	2.3
85.06529	0.6
87.54569	0.4
91.05473	7.2
93.07031	11.5
95.04940	2.8
95.08599	6.6
97.06528	1.4
97.10168	1.7
98.09669	0.4
98.98454	100.0
100.98815	0.8
105.04540	0.4
105.07021	5.3
107.04927	0.7
107.08578	6.6
109.06488	1.0
109.10152	5.4
111.08070	1.1
116.99500	2.5
117.06973	2.0
119.08567	5.0
121.06500	0.5
121.10129	5.5
123.08057	1.4
123.11709	0.5
125.09652	1.8
129.06969	0.5
131.08562	2.5
133.06406	0.4
133.10104	4.8
135.08018	0.6
135.11664	2.0
137.09575	2.4
139.11147	0.7
140.01064	1.2
141.07011	0.3
143.08562	0.5
145.10078	2.0
147.08052	0.5
147.11661	2.3
149.09602	0.9
149.13243	0.7
155.10626	0.6
157.10057	0.9
159.11655	1.8
161.13249	0.6
163.11156	1.1
171.11745	0.5
173.11731	3.4
173.13191	0.7
174.99214	12.0
175.11125	0.4
175.99539	0.7
176.98926	4.7
177.12714	0.5
177.46103	0.3
181.12224	1.5
189.11191	1.5
193.12241	0.9
195.13838	0.9
207.55673	0.3
211.13264	0.8
217.15874	0.3
223.13330	0.9
235.16927	1.3
239.17961	0.6
251.00024	1.5
252.99730	3.4
257.19019	0.7
275.20047	6.2
286.42548	0.4
293.21136	1.0
328.23264	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01860	0.9
55.05502	4.6
56.05000	0.5
57.03418	1.5
57.07055	0.7
57.99403	0.5
67.05492	12.0
69.03415	1.2
69.07057	10.3
69.55731	4.8
71.04974	0.8
71.31270	0.5
72.99944	0.5
75.18482	0.5
79.05480	7.9
81.03394	1.9
81.07040	21.6
82.33527	0.6
83.04965	2.4
83.08614	3.7
85.06500	1.3
91.05463	8.2
93.07030	9.3
95.04919	2.8
95.08591	6.9
97.06519	2.9
97.10155	1.4
98.09685	1.1
98.98450	100.0
99.08076	1.4
100.98861	0.6
105.07021	8.4
107.04940	1.3
107.08586	6.1
109.06472	2.6
109.10135	3.0
111.08080	1.3
116.99471	2.4
117.07016	2.4
119.08565	8.1
121.06485	0.6
121.10123	3.7
123.08039	2.7
123.11696	2.0
125.09615	0.7
129.07007	1.1
131.08582	3.0
133.10103	6.1
135.08031	1.0
135.11671	5.9
137.09633	1.8
140.01060	1.7
141.09062	0.6
143.08527	0.8
145.10063	3.9
147.11659	6.0
149.09615	1.5
149.13228	2.9
151.11197	1.0
157.10156	1.1
159.11671	3.1
161.13255	1.0
163.11208	1.1
165.12677	0.8
171.11621	0.7
173.13289	1.4
174.99191	12.4
175.11137	0.7
175.99518	1.4
176.98921	5.3
177.12738	1.1
181.12198	5.4
185.13155	0.7
187.14835	0.6
189.11201	0.6
193.12210	0.8
195.13791	4.5
197.13260	0.6
199.13223	1.2
201.16377	0.6
213.14702	0.8
229.19547	0.9
235.17088	1.0
247.20537	1.0
251.00038	1.3
252.99709	2.2
257.19006	1.3
273.39700	0.6
275.20026	9.9
293.20953	2.6
306.42023	0.7
311.19965	0.7
328.18942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.8
55.05499	14.0
59.04998	0.7
65.03938	0.5
67.05501	6.3
69.03411	1.8
69.07059	14.0
69.51884	3.9
79.05476	8.2
81.03408	0.6
81.07043	7.4
83.04531	0.4
83.04974	2.2
83.08608	11.6
85.06514	0.8
91.05480	5.1
93.07019	4.2
95.04969	1.4
95.08594	4.5
97.06532	2.1
97.10159	24.0
98.20708	0.5
98.98453	100.0
100.98800	0.4
101.09604	0.8
105.07021	5.6
107.04930	0.8
107.08583	27.1
109.06492	0.8
109.10126	1.4
111.08080	0.8
116.99464	3.1
117.06992	1.2
119.08582	2.9
121.06503	0.6
121.10129	1.1
125.09613	17.7
129.06987	0.6
131.08556	1.7
133.06528	0.6
133.10126	3.1
135.08020	1.8
135.11725	1.3
137.09660	0.6
140.01070	0.9
143.08565	0.5
143.10616	1.4
145.10088	2.6
147.11694	2.6
149.09607	3.3
151.11131	0.6
153.09071	1.7
157.10239	0.6
159.11685	1.9
161.13248	1.8
163.11165	1.2
169.10065	0.8
171.10158	2.3
171.11519	0.8
173.13271	0.9
174.99207	11.7
175.99603	0.8
176.98885	4.9
177.12711	0.5
179.14299	1.7
181.12244	1.1
187.11201	0.7
189.11192	33.0
190.11572	0.8
197.13390	0.6
215.17822	0.5
239.17992	1.3
247.20525	0.5
251.00040	1.5
252.99713	3.0
257.18976	4.2
275.20026	33.1
276.20413	1.4
293.21097	5.3
329.20963	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	328.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69077	0.3
55.01854	0.8
55.05509	5.2
57.03429	1.1
57.07050	0.6
58.08848	0.3
59.04988	0.6
67.05494	10.0
69.03407	1.1
69.07059	4.6
71.04974	1.3
71.63017	0.4
77.01566	0.5
79.05051	0.8
79.05482	10.0
80.97401	0.4
81.03391	1.1
81.07046	7.4
83.04958	0.9
83.08612	3.2
85.02886	0.4
85.06541	0.7
91.05472	6.0
93.07031	10.2
95.04942	3.3
95.08602	6.8
97.06532	0.9
97.10151	5.0
98.98452	100.0
99.08092	0.5
100.98860	0.7
104.43703	0.4
105.07015	4.3
107.04918	0.6
107.08582	6.7
109.06499	1.1
109.10147	5.5
111.08084	1.4
116.99494	4.2
117.06992	1.2
119.08569	4.3
121.06487	1.2
121.10123	6.2
123.08020	0.6
123.11704	0.6
125.09604	4.1
125.73447	0.4
129.07030	0.6
131.08565	1.5
133.10126	3.4
135.07967	0.4
135.11674	1.0
137.09573	2.4
139.11168	0.6
140.01076	1.8
145.10104	1.9
147.11678	2.6
149.04366	0.4
149.09648	0.7
155.10710	0.8
157.10170	0.7
159.11711	1.4
161.09735	0.4
161.13202	1.9
163.11195	0.8
171.10240	0.4
171.11667	0.9
173.11758	4.5
173.13158	0.8
174.99203	14.2
175.99551	1.1
176.98895	5.1
177.12799	0.5
179.14221	0.4
182.17465	0.3
189.11195	4.9
190.96042	0.4
209.15466	0.4
216.02109	0.4
229.19421	0.5
251.00017	1.7
252.00288	0.5
252.99719	3.0
257.19031	0.6
275.20026	6.9
292.22372	0.4
293.21173	1.5
310.30789	1.9
328.08942	0.4
328.19470	0.8
328.23560	0.7
329.21246	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67046	0.6
57.03424	2.2
59.04992	53.3
61.02918	1.2
61.71409	0.6
69.03418	2.7
69.90755	3.4
71.28765	0.5
73.06545	100.0
74.06882	0.9
81.03403	1.4
85.02891	11.1
86.09686	0.8
91.03951	0.8
96.28015	0.6
97.02881	2.4
98.98451	25.9
99.08138	0.8
109.02846	1.6
115.19549	0.6
117.09114	13.3
119.04943	0.8
120.08054	0.7
124.07594	0.9
127.03931	1.3
131.10660	9.8
142.08575	0.9
145.04938	1.5
145.63139	0.7
147.04408	1.8
149.11711	84.2
150.12056	2.1
174.99246	2.3
176.99046	0.7
182.36795	0.7
202.10712	3.2
327.73828	0.8
328.14093	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
55.05500	2.1
57.07058	2.3
58.23138	0.3
60.04518	8.1
67.05495	6.2
68.97732	0.3
69.03435	0.3
69.07056	3.9
69.28905	3.3
70.02953	2.2
71.08617	1.2
74.02428	60.9
77.01598	0.4
79.05488	4.1
81.07043	9.1
82.19848	0.3
83.04948	0.7
83.08614	2.6
83.39159	0.3
85.10165	0.4
88.04004	0.6
91.05469	1.2
93.07027	5.0
95.04929	0.4
95.08594	5.3
97.06531	2.4
97.10172	1.3
98.06039	0.4
98.21442	0.7
98.98450	100.0
100.98859	0.7
104.03436	0.7
105.07020	0.9
107.08579	3.9
109.10137	2.6
111.08045	0.7
111.11684	0.5
116.99476	3.7
119.08554	0.6
121.10122	8.0
123.11655	1.9
131.08575	0.4
133.10104	0.7
135.11670	5.7
137.05966	0.4
137.09599	0.4
137.13232	1.4
140.01053	1.4
145.10085	0.5
147.11673	0.6
149.13197	1.7
154.08698	0.4
155.14252	0.6
159.11610	0.4
163.14867	0.8
173.13164	0.3
174.99199	11.4
175.99533	0.7
176.98898	4.9
205.19464	1.2
219.21066	4.7
223.20517	0.8
237.22104	3.1
246.22141	1.0
248.23746	0.6
249.22122	0.4
250.99924	0.8
252.00246	0.4
252.99687	2.3
253.01855	0.4
255.23163	1.5
264.23203	0.7
266.24753	4.6
275.19888	0.7
276.66595	0.3
282.24310	1.8
292.22662	2.1
310.23553	1.0
313.06897	0.4
328.24805	5.6
329.09909	0.9
329.20944	1.1
329.24509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
57.03429	1.4
57.07064	7.5
59.04993	9.6
61.02908	1.2
65.03944	0.7
67.05494	9.1
69.03416	2.8
69.07061	0.7
71.04975	3.3
71.30051	1.7
73.02897	1.0
73.06578	0.9
81.03400	1.5
85.02892	9.1
85.06532	31.9
87.04436	1.1
91.03949	0.6
95.04955	14.2
97.02863	3.2
98.98451	33.6
103.07566	89.8
104.07950	0.9
109.02856	2.2
113.05988	24.6
116.99485	0.8
120.07224	1.2
120.08087	23.5
122.59993	0.7
127.03889	1.9
131.07024	42.8
132.07318	0.7
145.04915	1.8
148.07576	0.8
149.08073	100.0
150.08446	1.5
162.29654	0.7
166.05020	1.1
166.08612	2.7
174.99254	3.6
176.98920	1.7
197.92445	0.6
204.88028	0.6
223.58072	0.7
234.20413	0.6
238.77472	0.7
292.11713	1.5
293.12305	0.7
310.12820	1.1
328.13647	1.1
328.17239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87553	0.7
53.03951	5.0
55.01855	1.5
55.05499	5.4
57.03425	1.3
57.07060	2.7
59.04991	0.9
59.76621	0.7
67.05502	9.4
69.03381	0.9
69.07060	5.4
69.73923	0.7
69.86096	5.6
77.03927	1.1
79.05475	6.4
81.03405	1.1
81.07042	12.6
83.04951	0.8
83.08610	2.5
85.06517	1.5
91.05468	12.6
93.07034	25.0
95.04961	30.2
95.08595	17.5
97.06535	7.0
98.98454	100.0
103.05416	1.2
105.04469	1.6
105.07018	20.7
107.08582	11.9
109.06493	3.5
109.10151	7.8
115.05481	0.8
116.99477	3.7
117.07007	5.7
119.08562	23.3
121.06506	6.0
121.10119	12.4
123.08049	3.7
123.08943	0.8
123.11663	3.4
126.20500	0.7
128.06209	1.9
129.06973	3.3
130.07773	1.8
131.08551	10.5
133.06468	1.4
133.10114	13.2
135.08009	4.0
135.11624	4.4
137.09578	1.9
140.01056	1.3
141.06996	1.7
142.07736	2.6
143.08551	4.9
144.09375	1.8
145.10103	13.6
147.07983	1.3
147.11690	4.9
149.09627	1.7
152.06200	11.3
153.06998	8.1
154.07556	0.8
155.08536	2.9
156.09357	1.9
157.10121	10.8
158.10823	1.7
159.08113	1.7
159.11678	13.9
161.09587	5.5
161.13228	2.1
163.11156	1.3
168.05695	2.4
169.06441	1.8
169.10091	4.6
171.08076	1.4
171.11685	4.8
172.12373	0.9
173.13228	7.0
174.99200	19.3
175.01514	1.0
175.11102	1.0
175.14801	6.2
175.99521	1.1
181.10083	1.5
183.11642	4.0
185.09572	1.4
185.13240	4.5
187.11159	2.3
187.14818	5.8
188.18845	0.8
193.10236	1.0
194.10945	0.9
195.11650	2.4
197.13228	3.1
198.86748	0.9
199.14796	4.7
201.12811	1.5
201.16370	1.3
206.10985	0.8
207.11671	1.2
209.13211	2.3
211.14798	3.0
213.16325	1.5
215.02568	1.5
215.14316	1.7
217.15865	1.7
221.13104	1.4
223.14728	1.5
225.16333	1.7
226.07779	0.9
228.09348	3.0
229.09964	1.0
229.15950	1.2
233.03561	10.8
235.14830	1.7
239.17804	1.2
251.00046	4.1
251.04640	6.2
253.15846	1.2
281.22708	1.4
309.22153	3.5
327.03839	2.0
327.07788	40.9
327.23062	7.5
328.08176	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1432
Annotation	Hinokitiol glucoside
Peak:m/z	Relative Intensity
50.98863	0.3
51.02376	0.4
53.03934	4.4
55.01871	0.6
55.05506	1.9
55.76574	0.3
57.03427	0.8
57.07058	0.4
59.04972	0.3
65.03919	0.6
67.05495	8.3
69.03068	0.4
69.03422	3.9
69.07053	2.3
69.58611	0.9
69.59035	1.4
71.04987	0.9
71.08603	0.5
75.94209	0.2
76.36053	0.3
77.01597	0.4
79.05489	2.0
81.03408	30.4
81.07047	8.0
82.03728	0.4
83.04986	0.7
83.08604	0.6
85.02898	2.2
85.06530	1.2
91.05482	2.0
93.07028	2.7
94.07394	0.4
95.04959	2.2
95.08601	5.6
97.02886	3.0
97.06509	0.8
97.10168	0.4
98.98454	71.0
99.04474	1.7
99.08086	0.9
100.11263	0.4
105.07017	1.5
106.38827	0.3
107.04955	0.4
107.08588	3.0
109.02866	100.0
109.06520	1.0
109.10143	18.1
110.03179	2.1
110.10465	0.4
111.04430	0.9
111.08077	1.0
112.39504	0.3
116.99474	2.2
117.07027	0.5
119.04904	0.5
119.08555	2.7
121.06508	0.6
121.10144	1.6
123.04425	0.6
123.08045	0.3
123.11679	1.4
125.05971	0.4
125.09618	1.1
127.03894	5.5
128.98557	0.4
131.08551	0.5
133.06480	0.4
133.10107	0.9
135.08058	1.2
135.11694	0.9
137.05998	1.4
137.09596	29.5
137.13219	0.9
138.09946	0.9
140.01083	0.7
145.04884	0.3
145.10147	0.6
147.04401	2.7
147.08015	0.4
147.11667	0.9
149.09557	0.5
149.13231	1.0
151.03882	0.4
151.11142	0.3
152.37523	0.3
155.10643	1.5
157.10132	0.5
159.08025	0.4
159.11732	0.5
161.13219	0.6
163.03951	0.5
163.07430	0.4
163.11191	0.6
165.05484	0.7
165.09091	27.9
166.09421	1.0
169.09996	0.3
174.99205	12.4
177.12706	0.3
183.10161	1.8
183.13699	0.3
187.07445	0.3
189.12828	0.4
193.13828	0.3
200.47058	0.3
201.11220	1.0
207.08023	0.4
217.12325	0.5
245.11732	0.6
249.09196	0.4
251.00029	2.7
291.26694	0.4
295.09598	0.5
309.13379	0.4
309.16730	0.3
327.04984	0.3
327.08307	0.5
327.14783	6.2
327.18167	0.9
327.28253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98863	0.3
51.02376	0.4
53.03934	4.4
55.01871	0.6
55.05506	1.9
55.76574	0.3
57.03427	0.8
57.07058	0.4
59.04972	0.3
65.03919	0.6
67.05495	8.3
69.03068	0.4
69.03422	3.9
69.07053	2.3
69.58611	0.9
69.59035	1.4
71.04987	0.9
71.08603	0.5
75.94209	0.2
76.36053	0.3
77.01597	0.4
79.05489	2.0
81.03408	30.4
81.07047	8.0
82.03728	0.4
83.04986	0.7
83.08604	0.6
85.02898	2.2
85.06530	1.2
91.05482	2.0
93.07028	2.7
94.07394	0.4
95.04959	2.2
95.08601	5.6
97.02886	3.0
97.06509	0.8
97.10168	0.4
98.98454	71.0
99.04474	1.7
99.08086	0.9
100.11263	0.4
105.07017	1.5
106.38827	0.3
107.04955	0.4
107.08588	3.0
109.02866	100.0
109.06520	1.0
109.10143	18.1
110.03179	2.1
110.10465	0.4
111.04430	0.9
111.08077	1.0
112.39504	0.3
116.99474	2.2
117.07027	0.5
119.04904	0.5
119.08555	2.7
121.06508	0.6
121.10144	1.6
123.04425	0.6
123.08045	0.3
123.11679	1.4
125.05971	0.4
125.09618	1.1
127.03894	5.5
128.98557	0.4
131.08551	0.5
133.06480	0.4
133.10107	0.9
135.08058	1.2
135.11694	0.9
137.05998	1.4
137.09596	29.5
137.13219	0.9
138.09946	0.9
140.01083	0.7
145.04884	0.3
145.10147	0.6
147.04401	2.7
147.08015	0.4
147.11667	0.9
149.09557	0.5
149.13231	1.0
151.03882	0.4
151.11142	0.3
152.37523	0.3
155.10643	1.5
157.10132	0.5
159.08025	0.4
159.11732	0.5
161.13219	0.6
163.03951	0.5
163.07430	0.4
163.11191	0.6
165.05484	0.7
165.09091	27.9
166.09421	1.0
169.09996	0.3
174.99205	12.4
177.12706	0.3
183.10161	1.8
183.13699	0.3
187.07445	0.3
189.12828	0.4
193.13828	0.3
200.47058	0.3
201.11220	1.0
207.08023	0.4
217.12325	0.5
245.11732	0.6
249.09196	0.4
251.00029	2.7
291.26694	0.4
295.09598	0.5
309.13379	0.4
309.16730	0.3
327.04984	0.3
327.08307	0.5
327.14783	6.2
327.18167	0.9
327.28253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34154	0.8
53.03931	2.2
55.01853	2.8
55.05495	5.7
57.03421	5.0
57.07055	1.3
59.04969	1.8
61.02913	7.1
62.30488	0.9
63.23120	0.7
67.05489	1.2
69.03070	1.3
69.03416	18.1
69.07046	2.4
69.33501	8.9
70.06586	1.3
71.04966	3.6
73.02912	5.3
79.05437	0.7
81.03399	8.3
81.07040	2.1
83.01288	0.9
83.08135	1.3
83.08603	22.6
85.02889	97.3
85.78141	0.8
86.03217	1.4
87.04451	2.7
87.08076	2.8
89.03901	1.1
91.03933	6.5
91.05467	2.2
93.07004	2.2
95.04976	1.4
95.08548	1.1
97.02274	1.7
97.02878	25.7
98.98448	100.0
99.04420	6.3
101.09641	18.2
107.04865	0.8
107.08572	1.2
108.99041	0.9
109.02856	10.6
109.06531	1.2
109.10117	2.1
109.62758	0.8
110.03175	0.8
111.11735	1.0
116.99477	2.8
119.04939	1.1
119.08579	1.8
119.10670	3.4
121.10191	1.2
127.03897	29.0
128.04225	0.9
129.09088	1.1
135.04398	2.4
136.04723	3.0
137.09549	2.2
137.79500	0.8
140.00999	0.9
145.02974	1.8
145.04938	48.1
145.06113	2.3
146.03157	2.1
147.04356	3.6
147.10136	6.7
147.11192	0.9
147.11658	0.8
149.05904	0.8
163.03889	13.4
163.05981	12.7
164.04221	21.2
164.07040	1.6
165.09027	1.4
165.12755	0.8
168.38567	1.0
174.99190	17.9
180.08536	0.9
196.87111	1.0
208.09692	7.2
213.12180	1.1
250.99872	3.4
262.14120	1.0
294.16907	6.8
308.08276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01869	3.5
55.05504	3.8
56.96559	1.2
57.03427	0.8
57.07056	1.1
62.95865	0.5
65.51451	0.4
67.05496	15.1
67.19300	0.5
68.97079	0.4
69.03399	1.3
69.07062	4.7
71.04974	2.0
71.32148	1.0
79.05479	5.8
81.03417	0.8
81.07045	14.3
83.04984	3.9
83.08603	1.6
85.06526	2.2
91.05464	9.3
93.07030	7.9
95.04944	3.3
95.08587	10.9
95.09157	0.9
97.06535	1.3
98.98453	100.0
99.04423	1.3
99.08102	0.5
105.07011	10.2
107.04927	0.8
107.08579	11.3
108.08944	0.5
109.06483	2.5
109.10142	17.3
110.10500	0.6
111.08049	0.7
113.05971	1.0
116.99509	3.9
117.06991	0.9
119.08556	3.4
121.06517	0.7
121.10141	1.9
123.08041	3.5
123.11698	2.9
125.09628	0.8
127.07556	1.1
131.08569	2.3
133.10112	23.7
135.08008	1.7
135.11691	0.8
137.09625	1.1
140.01064	1.8
143.08554	1.0
145.10114	1.9
147.08052	0.9
147.11731	0.6
149.09593	0.7
151.11163	15.8
157.10101	1.2
159.11700	1.6
161.09624	1.4
169.12215	6.1
171.11708	1.2
172.12161	0.6
173.13304	0.7
174.99203	17.7
175.11191	0.8
181.36818	0.5
185.13319	0.6
193.04959	0.8
215.12723	2.4
227.18074	0.7
245.19101	0.5
250.99997	4.3
263.20081	1.3
273.18445	3.3
291.19528	7.0
294.17795	0.6
309.20633	1.4
325.76227	2.6
326.21631	1.3
326.25607	0.8
326.34094	0.7
327.08600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.273
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
55.01846	1.0
55.05502	16.1
57.03428	2.0
57.07067	5.3
58.32389	0.5
59.04959	1.1
60.89785	0.5
67.05492	9.1
69.03413	3.2
69.07056	100.0
69.68098	2.8
69.68510	1.2
70.07386	0.8
71.04977	3.1
71.08619	1.2
73.02931	1.0
73.06530	1.3
79.05476	5.1
81.03401	1.6
81.07040	34.6
82.07400	0.9
83.04965	2.7
83.08604	7.0
85.02908	3.1
85.06536	6.1
85.10170	0.9
86.48586	0.6
91.05444	3.2
93.07024	12.4
95.04959	2.6
95.08589	27.4
97.02872	0.9
97.06510	4.8
97.10153	2.9
98.20732	1.0
99.08073	6.3
101.06016	2.0
105.07013	5.5
107.08572	11.3
109.02910	0.8
109.06509	2.2
109.10137	14.4
111.08050	3.8
111.11699	24.7
119.08537	5.2
121.06480	1.0
121.10127	9.5
121.10997	0.6
123.08044	1.8
123.11685	9.1
125.09608	1.5
125.13267	0.6
127.03893	1.1
127.07587	0.7
127.11187	2.5
129.12761	1.6
131.08585	1.0
133.10110	3.1
135.04396	0.8
135.08051	1.3
135.11678	7.9
137.09656	1.2
137.13216	3.9
137.18561	0.5
139.07487	0.6
139.11162	19.9
145.02817	1.3
145.05006	0.6
145.10112	1.8
147.04454	0.7
147.11693	2.4
149.09596	0.8
149.13280	4.4
151.11203	1.4
151.14755	3.6
153.12732	3.4
155.10640	1.2
157.12183	4.7
159.11664	3.5
159.55061	0.6
161.13219	3.7
163.03851	5.1
163.07462	0.6
163.11191	1.3
163.14830	2.8
164.04274	0.6
165.12794	2.5
167.14334	1.5
173.13264	1.7
175.14799	1.3
177.05391	2.8
177.12788	1.2
177.16405	1.2
179.14272	2.8
181.12350	0.8
187.14850	1.4
189.16368	0.8
191.08141	0.9
191.17888	0.9
201.16356	0.6
215.17958	0.9
219.15434	0.6
219.17570	0.7
227.20183	0.6
233.18979	0.8
263.23718	1.0
271.24274	0.8
277.25394	0.7
289.25156	4.6
295.26291	4.1
307.26236	31.2
308.26569	1.1
325.10522	1.3
325.21713	1.1
325.27396	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	326.057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14775	0.3
63.40604	0.4
65.83649	0.3
70.43941	1.6
75.93218	0.3
90.57085	0.4
98.98457	13.4
101.00869	0.8
119.01895	4.9
120.01938	0.6
137.02922	1.3
158.99886	0.6
160.21332	0.3
174.99226	2.5
177.00941	10.6
178.00949	1.9
182.99922	0.7
193.99084	0.4
201.00893	1.0
202.50272	0.4
217.04094	2.1
217.99004	1.1
219.01990	19.1
220.02092	4.1
221.01784	1.0
223.97946	0.4
225.00832	2.7
234.99977	0.7
236.00085	5.5
236.99895	2.0
241.98993	0.8
243.01961	7.7
243.04271	0.6
244.02052	1.2
244.57011	0.4
254.01057	1.3
255.00777	0.5
259.00058	1.3
260.00089	9.9
261.00146	4.9
261.03036	100.0
262.03168	13.4
263.02847	1.6
265.99121	1.3
266.03552	0.6
266.98834	0.7
277.00964	1.5
278.01123	10.6
279.00836	4.2
282.99823	1.5
284.00082	22.9
284.04544	3.3
284.99799	9.1
285.04706	0.9
292.99707	0.6
301.00885	2.2
302.01147	45.6
303.00885	20.1
303.04297	3.2
304.05246	0.6
320.02267	2.7
321.01898	1.4
325.02771	1.0
326.01062	2.8
327.00867	0.8
344.02222	15.2
345.01913	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	325.273
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03922	0.9
55.05503	15.1
57.03413	2.4
57.07066	4.9
59.04990	1.4
67.05492	8.5
69.03422	2.5
69.07057	100.0
69.34065	1.6
69.34472	6.1
70.07400	0.8
71.04985	1.5
71.08630	1.7
72.19353	0.7
73.02905	0.8
73.06532	0.9
79.05483	4.9
81.03414	1.3
81.07045	29.0
83.04971	1.9
83.08610	7.5
85.02904	3.9
85.06527	4.4
91.05461	3.9
93.07032	8.5
95.04961	1.2
95.08594	25.0
97.06519	5.1
97.10160	3.2
97.46068	0.6
98.20760	1.3
99.04488	0.7
99.08080	5.7
101.06013	2.7
105.07032	4.6
107.08591	7.6
109.02894	1.0
109.06506	2.5
109.10137	17.0
109.83384	0.6
111.08081	1.9
111.11699	23.6
112.80057	0.7
115.07542	0.8
117.03280	0.8
119.08572	4.5
119.09338	0.6
121.06489	0.8
121.10122	8.6
123.08089	1.5
123.11681	8.1
123.21491	0.7
125.09651	1.0
127.03887	0.8
127.11189	1.8
129.12791	2.1
131.08525	0.7
133.10130	2.2
135.04358	1.1
135.08102	1.2
135.11642	5.4
137.09627	1.5
137.13249	2.8
139.11166	20.0
145.10167	1.5
147.04442	1.0
147.11713	2.6
149.13251	4.0
151.14777	5.4
153.12758	2.8
155.10626	1.0
155.14294	0.7
157.12245	4.5
159.11708	2.3
161.13287	3.3
163.03865	6.8
163.11264	1.4
163.14812	2.2
165.12747	1.9
167.14276	2.4
173.11734	0.8
173.13261	1.3
177.12662	0.9
177.16359	1.2
179.14297	6.0
204.62538	0.8
215.17816	1.2
263.23776	0.8
289.25143	4.5
295.26358	2.9
307.08167	1.1
307.26270	55.9
308.26788	2.1
325.27356	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	325.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
53.18449	2.6
55.01860	26.7
55.05501	28.5
56.96566	5.4
57.03424	31.2
57.07066	4.7
59.04976	3.1
64.53085	3.0
65.03924	4.5
67.05494	75.6
69.07060	27.2
69.51508	7.7
69.51915	19.1
71.04984	3.8
72.60172	2.6
79.05053	4.3
79.05483	60.4
81.03392	12.9
81.07039	70.1
83.04964	29.1
83.08619	13.5
85.06511	3.9
91.05460	62.8
91.61774	2.8
93.07022	52.1
95.04953	77.7
95.08598	41.5
97.02864	11.5
97.06494	7.6
97.10139	4.9
98.07310	7.1
103.05437	6.1
105.06374	4.6
105.07020	62.6
107.04939	89.5
107.05698	4.3
107.08596	24.7
108.05715	7.7
109.06498	41.6
109.10151	17.4
110.07310	3.8
111.04411	8.2
112.05196	10.7
113.06010	6.7
115.05392	5.0
117.07003	32.6
119.04949	4.1
119.08558	35.3
120.05688	2.8
121.06485	20.0
121.10096	11.0
122.07264	33.4
123.04412	12.7
123.08041	11.1
123.11684	2.9
128.06218	10.1
129.06979	13.4
131.08537	33.7
133.06459	26.8
133.10092	20.6
135.08047	18.3
135.11682	9.8
137.09583	19.9
141.07025	4.3
143.08572	14.8
145.06479	24.5
145.10088	19.6
147.08023	38.6
147.11679	6.5
149.09573	8.0
151.07539	7.5
155.08530	8.0
157.10133	11.7
159.07994	7.1
159.11668	12.4
161.09579	27.1
161.13280	4.5
162.10388	5.0
163.11150	12.3
165.09123	11.4
169.10117	9.2
171.11705	10.3
173.09581	3.0
173.13260	12.5
175.11227	6.6
185.13261	3.6
187.11139	5.5
187.14793	14.4
189.12720	7.1
197.13280	8.3
203.14371	5.2
205.15860	11.7
215.14296	12.6
224.15118	3.2
233.15337	100.0
251.16316	33.5
261.14951	2.8
273.18439	7.4
290.18707	28.1
291.19513	8.7
314.18628	4.3
325.21509	5.0
334.11530	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	325.139
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
51.52141	0.3
55.01848	0.5
57.03414	1.1
57.10629	0.3
60.05621	0.3
61.02905	1.0
61.27155	0.3
67.05482	0.3
67.61446	0.3
69.03414	3.6
70.03745	0.3
70.06573	0.9
70.26911	0.6
70.27307	0.5
71.04951	0.3
72.08121	0.3
73.02900	1.4
75.23531	0.3
81.03399	1.0
84.08146	0.6
85.02892	7.1
86.03235	0.5
86.06068	0.3
86.51464	0.3
87.04422	0.5
91.03935	0.4
91.05444	0.7
97.02864	3.1
98.20770	0.3
98.82099	0.3
99.04419	0.6
101.00853	1.0
103.00616	1.2
103.78760	0.3
109.02871	0.7
115.02406	0.3
116.98608	0.4
118.06521	3.0
119.01900	2.5
119.04904	0.9
120.01939	0.4
121.01635	2.4
121.02835	1.3
121.06513	1.4
124.03638	0.3
127.03885	2.6
131.01871	0.6
133.03423	0.8
133.07585	3.9
135.04347	0.4
136.07639	0.4
137.06010	0.3
138.09105	0.6
139.02579	0.6
143.01866	0.7
145.03442	1.0
145.07581	100.0
146.08273	1.9
147.03168	1.0
147.04367	1.1
147.09131	0.7
157.01630	0.3
157.03438	1.7
158.03554	0.4
159.03146	1.6
161.02942	1.1
163.02637	0.6
163.03850	2.1
163.05002	5.8
163.08633	59.7
164.07066	0.9
164.08951	1.1
173.02914	0.5
174.03075	0.4
175.02727	0.3
175.04446	1.1
176.04587	0.3
177.00838	0.4
177.04170	0.8
178.01169	0.4
184.05757	0.7
184.55942	0.4
185.06062	0.3
196.39410	0.3
203.04062	0.4
203.07552	0.8
205.03644	0.3
205.05582	0.7
207.05293	0.9
219.01950	0.6
220.02046	0.4
223.06544	2.3
224.06743	0.6
225.06367	3.6
227.07574	0.3
234.08263	0.4
234.58440	0.5
241.07559	0.7
243.07376	1.5
244.09071	0.5
245.04976	0.4
261.03036	1.3
265.07614	2.0
282.99966	0.6
289.60236	0.3
293.05362	0.4
301.00903	1.0
302.02850	0.5
305.10947	0.6
306.11017	0.6
307.06833	0.5
324.11703	0.4
325.08307	4.3
325.13876	90.3
326.08420	0.4
326.14340	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2003
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03937	5.1
55.01856	10.5
55.05505	36.4
56.96556	23.8
57.03417	10.0
57.07068	5.3
62.42461	2.2
67.05497	38.1
69.03413	8.4
69.07056	14.8
71.04979	6.2
71.62422	4.0
79.05485	79.7
81.03389	11.5
81.07050	52.1
83.04965	23.9
83.08601	17.5
85.02906	4.1
91.05477	38.6
93.07033	32.6
94.04150	3.8
95.04968	17.9
95.08593	30.7
97.06539	12.1
97.10157	16.3
97.49764	2.5
97.99155	3.9
105.03370	2.8
105.07029	41.3
107.04944	56.7
107.08580	31.3
108.05798	2.9
109.06497	9.1
109.10152	16.1
111.04385	3.2
111.08068	5.2
115.05507	2.7
116.00216	5.4
117.07008	22.8
119.04932	7.9
119.07780	4.0
119.08576	54.9
121.06492	22.3
121.10143	20.5
123.08051	6.6
123.11707	3.2
125.09647	15.7
129.07010	13.9
131.08557	24.4
133.06468	24.1
133.10159	14.1
134.99756	2.7
135.04361	2.6
135.08025	16.8
135.11674	7.7
137.09622	5.2
142.07780	3.2
143.08502	16.4
145.06416	4.6
145.10101	30.7
146.07231	2.9
147.08038	24.0
147.11696	12.3
149.09621	6.4
149.13263	3.7
153.09019	3.0
155.08514	6.7
157.10106	15.4
159.08023	3.5
159.11653	10.9
161.09625	19.1
162.10365	6.1
163.03859	6.5
163.11162	4.8
169.10158	9.7
171.11644	13.2
172.39328	2.9
173.13214	6.2
175.11147	18.7
181.10062	3.1
183.11665	7.8
185.09636	2.6
185.13243	8.8
187.11208	2.9
187.14809	7.3
189.11197	9.4
189.12717	2.6
195.11659	5.1
197.13190	6.4
199.14828	5.6
201.16061	2.8
203.14346	5.0
209.13257	5.2
211.14835	5.6
215.14256	3.3
217.15915	16.2
218.12967	4.6
223.14534	5.6
227.17694	4.3
233.15344	34.8
233.18883	2.7
245.19080	3.4
246.19746	4.6
249.14929	4.0
255.17407	2.6
272.15219	3.2
273.18497	27.8
279.20953	9.2
289.17911	5.2
290.18692	5.1
291.19513	100.0
292.66589	3.4
293.67609	3.2
301.67139	5.2
302.67801	5.9
313.17963	6.7
313.68118	2.6
314.18808	3.0
324.68979	2.9
325.18451	4.2
325.21542	36.3
325.25375	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	325.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
54.07681	0.2
55.01865	1.8
55.05492	0.3
57.03429	3.3
59.04974	0.5
61.02905	1.5
69.03419	17.6
69.56139	2.0
71.01323	1.0
71.04980	5.5
73.02923	1.5
75.04434	0.4
79.05472	0.7
81.03407	19.8
81.07031	0.3
82.36432	0.3
85.02417	0.5
85.02894	7.0
87.04462	0.5
89.03902	1.1
91.05458	0.8
97.02879	2.0
98.21488	0.6
99.03835	0.5
99.04443	7.5
107.04924	0.5
107.08577	0.6
109.02871	1.6
109.10129	0.5
111.04535	0.2
117.03364	2.6
117.05453	1.8
117.06977	0.5
118.06530	4.0
119.04915	0.3
127.03884	2.2
127.11138	0.3
135.04405	4.2
135.08041	0.6
137.05995	0.3
145.02843	3.1
145.04962	2.0
145.06445	0.9
145.07568	5.7
147.04385	1.3
147.09158	7.4
159.09213	0.4
162.07832	1.4
163.03885	28.9
163.06079	0.8
163.08569	1.3
164.04164	0.7
164.25410	0.3
173.07083	11.0
175.08665	5.7
181.04929	0.5
191.08127	100.0
192.08508	1.4
205.09749	0.5
213.10056	0.4
215.11816	0.3
231.11482	0.3
233.09204	1.4
243.11285	0.4
271.10712	0.6
289.11826	1.6
307.08209	2.8
307.12839	33.5
308.13266	0.8
325.13901	37.1
325.63983	0.3
326.14288	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01852	1.4
55.05484	0.6
57.03415	2.1
61.02909	0.8
67.05480	1.3
68.05834	0.4
69.03423	11.2
70.78118	0.8
71.01353	0.5
71.04983	3.3
73.02905	0.7
78.01889	0.4
79.05473	1.2
81.03405	13.7
81.07020	1.1
83.08607	0.5
85.02892	7.4
89.03909	3.6
91.05484	1.9
93.07057	0.8
95.04961	1.0
95.08601	0.6
97.02866	2.5
99.04443	4.5
103.05458	0.4
105.06992	0.5
107.04938	1.4
107.08569	0.9
109.02830	2.3
109.06489	0.7
109.10112	1.4
110.10462	1.2
117.03360	5.2
117.05482	0.6
117.06992	0.7
118.06507	1.8
120.08096	0.4
121.06489	0.5
121.10120	0.4
127.03876	1.8
127.11146	1.0
128.11482	0.9
135.04393	13.2
135.08055	1.0
137.05971	0.4
137.09622	0.4
137.61757	0.4
145.02823	10.2
145.04912	1.6
145.06436	1.9
145.07588	3.0
147.04370	1.3
147.09134	3.9
153.09172	0.5
163.03882	100.0
164.04239	2.9
164.07047	1.1
165.05466	0.4
167.10670	0.5
173.07091	4.7
175.08638	3.0
181.04903	1.2
191.08130	49.9
192.08473	1.2
205.09689	0.5
231.11174	0.4
233.09109	0.4
234.99037	0.6
274.54547	0.4
289.11697	1.0
293.08224	0.4
307.08118	5.2
307.12808	18.1
308.13257	0.7
325.03616	0.9
325.09338	1.6
325.13867	17.8
326.14145	0.5
339.17670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01863	2.4
57.03435	6.1
61.02915	7.8
69.03420	16.8
69.56617	3.5
69.57040	2.3
71.01376	1.2
71.04974	2.5
73.02901	3.3
79.05477	1.5
81.03411	8.9
81.07025	0.9
85.02895	100.0
86.03225	1.2
87.04456	2.2
89.03919	2.6
91.03957	3.8
91.05467	1.7
93.07034	0.8
95.04971	1.2
97.02881	17.2
99.04459	5.2
101.02389	0.9
103.03938	1.0
105.07022	1.1
107.04925	1.0
107.08570	1.4
109.02861	11.4
109.06509	0.7
115.03974	0.9
117.03341	4.2
117.06950	0.9
119.04941	1.2
121.02909	1.0
127.03904	22.5
135.04395	7.4
135.08080	1.1
140.53333	0.8
145.02904	6.7
145.04941	30.3
145.06227	0.9
145.06578	1.5
147.04404	5.1
147.09126	7.0
152.14331	1.3
153.09175	0.9
163.03888	59.5
163.06032	9.0
163.07523	2.5
164.04210	2.1
173.07147	1.3
181.04938	1.5
186.05540	0.8
191.08154	11.3
213.97087	0.7
281.15085	2.8
281.18527	2.5
307.08157	4.7
307.12732	2.2
325.09866	1.2
325.13870	10.3
325.21182	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	325.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05497	0.3
57.03428	0.7
57.07047	0.2
59.04991	0.3
61.02904	0.7
63.02348	0.2
63.50475	0.2
66.18026	0.2
67.05492	0.3
69.03426	2.6
69.55045	0.7
69.55472	0.9
70.06541	0.3
71.04980	0.7
71.08604	0.4
73.02896	0.3
74.08857	0.2
79.05473	1.1
81.03412	5.5
81.07051	1.3
83.04940	0.2
83.08600	0.3
84.04491	1.8
85.02892	5.6
85.06521	0.2
87.04431	0.2
89.03902	3.6
89.06004	0.3
91.05468	1.2
95.04960	0.5
97.02876	2.3
98.20746	0.3
99.04436	0.8
99.08078	1.3
105.03374	0.8
105.28638	0.2
107.04938	2.0
107.08583	0.4
109.02872	3.0
109.06503	1.2
109.10165	0.4
115.03928	0.2
115.05471	0.5
117.03363	6.2
117.07007	0.5
117.09115	5.6
119.04932	1.9
121.02832	0.2
123.04418	0.2
126.05508	2.6
127.03882	1.8
127.07523	2.3
135.04396	14.9
135.08041	0.4
136.04781	0.4
137.06032	0.2
138.05490	0.6
145.02821	11.3
145.04939	0.9
145.06482	0.8
145.08548	0.4
147.04395	7.2
147.08055	0.3
163.03882	100.0
164.04245	2.8
173.06003	0.7
175.07506	0.9
177.05379	0.4
181.04919	1.8
181.08490	0.2
190.06351	0.3
192.07806	0.3
199.07625	0.2
201.05325	0.2
204.08688	0.8
205.08589	1.0
207.10173	0.4
217.08527	0.2
233.08089	0.4
235.09706	1.7
261.11212	0.2
265.10797	0.5
289.10632	0.6
307.08066	6.5
307.11530	0.5
308.08182	0.3
325.09103	2.6
325.12863	0.6
326.12106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0911
Annotation	Skimmin
Peak:m/z	Relative Intensity
57.03420	0.3
59.04971	0.3
61.02897	0.3
63.02378	0.2
67.05491	0.4
69.03402	0.7
69.06014	0.2
69.82724	1.0
71.04973	0.4
72.82302	0.2
73.02881	0.2
73.06529	0.3
79.05463	0.4
81.03397	0.8
81.07021	0.3
85.02885	2.3
85.06502	0.5
87.04433	0.4
89.03896	2.4
90.91946	0.2
91.05449	0.4
97.02867	1.7
99.04449	0.4
101.06020	0.3
105.05489	0.4
107.04921	1.4
109.02872	0.5
109.10131	0.6
117.03356	4.5
119.04908	1.0
121.02840	0.4
127.03867	0.9
127.07523	0.2
127.11167	0.8
135.04385	11.8
135.20340	0.1
136.04694	0.3
141.84871	0.2
145.02817	8.6
145.04919	0.7
145.08626	0.2
145.12209	0.4
146.03154	0.3
147.04379	3.6
147.07907	0.2
162.05528	1.1
163.03868	100.0
164.04202	3.2
164.07037	0.6
167.06947	0.3
175.07582	0.3
181.04941	0.6
187.07500	0.2
205.08517	0.2
235.09586	0.5
265.10638	0.3
289.10974	0.2
307.08051	0.5
307.12427	0.2
323.47263	0.2
325.09042	2.1
325.12711	0.2
341.84430	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01856	0.6
55.05500	1.7
57.03419	0.8
57.07056	2.0
59.38151	0.5
61.02910	1.3
67.05492	0.9
67.15261	0.5
69.03423	3.8
69.07058	1.3
70.06570	0.5
71.04981	13.7
71.62199	0.6
73.06538	1.7
75.04459	0.7
75.64854	0.4
79.05482	0.6
81.03403	3.6
81.07055	0.6
83.08587	1.5
85.02894	8.4
85.17725	0.4
87.08105	0.9
89.03904	1.0
91.05455	0.7
97.02872	2.1
99.04445	0.7
105.07002	0.7
105.32245	0.4
107.07059	0.7
107.08573	1.4
109.02872	2.0
109.10144	5.3
113.88620	0.5
117.03358	1.4
121.06457	0.7
127.03885	1.9
127.11173	26.0
135.04408	3.3
135.08054	1.0
136.07542	0.7
137.05904	0.6
138.06223	0.5
145.02873	2.9
145.04970	1.4
145.12216	100.0
146.12529	2.3
147.04359	0.8
153.09114	0.5
163.03882	23.6
163.07555	0.5
163.13307	1.4
164.07016	0.9
165.07410	0.7
181.04898	1.1
182.08115	0.9
183.08545	0.6
226.68597	0.5
306.17615	0.8
307.08115	3.7
307.11575	0.9
324.09796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44512	0.5
53.03926	1.6
55.01857	3.1
55.05500	18.5
57.03418	0.9
62.06077	4.5
67.05489	14.0
69.03419	4.5
69.07053	15.8
70.68340	0.8
70.68713	1.6
71.04971	1.3
72.93726	0.5
79.05478	13.4
79.05934	0.6
81.03388	2.5
81.06573	0.7
81.07043	14.0
83.04958	2.7
83.08605	10.3
85.06516	1.0
91.05461	7.5
93.07029	10.3
95.04962	4.8
95.08585	7.6
97.02859	3.1
97.06490	1.7
97.10151	17.3
103.05467	0.7
105.07006	8.4
107.04943	3.4
107.08573	8.9
109.06492	1.4
109.10143	4.5
111.08027	1.7
113.96367	0.6
116.90691	0.5
117.06981	3.5
117.43861	0.5
118.91714	0.5
119.04904	0.9
119.08568	7.4
121.06460	1.9
121.10113	4.8
123.08041	3.5
123.11658	1.1
125.08743	1.0
125.09603	14.8
128.06221	0.8
129.06966	1.8
130.07733	0.5
131.08548	4.8
133.06465	1.9
133.10121	2.8
134.07231	0.6
135.08017	4.1
135.11647	1.7
137.09566	2.1
143.08524	2.4
145.10081	4.7
147.08008	3.3
147.11613	1.6
149.09599	1.1
149.13086	0.6
153.09109	2.9
157.10097	1.7
157.12250	0.7
159.11615	1.5
161.09596	1.6
162.10379	1.1
163.11171	1.2
165.09122	1.3
169.10028	0.9
169.12202	0.5
171.10223	0.7
171.11674	1.6
173.13316	0.6
175.11150	1.2
177.12738	0.7
179.10588	0.5
181.10033	0.8
183.11719	0.7
183.82616	0.6
187.11162	0.9
187.14781	0.5
189.12723	1.2
199.11079	0.6
203.12743	7.5
205.12314	0.7
223.13243	11.7
224.13506	0.9
230.10297	0.9
237.14639	2.4
245.18970	1.2
249.15002	1.0
253.10559	1.3
255.17378	1.7
263.19989	1.0
273.18408	6.8
273.61816	0.6
291.19489	100.0
292.19794	4.4
305.21039	19.5
323.22025	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	325.0912
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03942	1.1
55.01839	0.3
57.03429	1.1
61.02916	1.0
63.02351	0.3
65.73431	0.2
69.03421	4.3
69.61633	1.6
70.06586	0.2
71.04966	0.7
71.08643	0.2
72.53432	0.2
73.02898	0.4
78.84803	0.2
79.05487	1.0
81.03408	7.7
81.07042	0.4
85.02895	5.1
85.06574	0.2
89.03900	4.3
91.05446	0.4
95.04949	0.3
97.02876	1.6
98.20731	0.3
99.04433	1.0
99.08074	0.2
107.04937	2.0
109.02861	3.1
109.06480	0.4
109.10139	0.4
115.62888	0.2
117.03362	7.0
117.06979	0.3
117.09087	1.0
119.04911	0.5
123.04412	0.2
123.15616	0.2
127.03918	1.8
127.07539	0.7
127.11136	0.3
135.04398	15.9
136.04826	0.2
145.02824	11.1
145.04945	0.7
145.06502	0.3
146.03189	0.4
147.04369	1.7
155.89125	0.2
163.03880	100.0
164.04219	2.7
171.62512	0.2
173.05965	0.3
175.07449	0.4
181.04919	2.0
181.08539	0.4
199.02269	0.2
205.08464	0.4
235.09641	0.7
259.06079	0.3
265.10556	0.3
289.10660	0.3
307.08099	9.0
308.08456	0.4
325.09143	3.5
325.12781	0.2
326.09808	0.2
326.13895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85864	0.7
55.01864	4.4
55.05507	4.5
56.78787	0.9
57.03429	23.4
57.07057	1.5
65.03915	1.5
67.05491	22.5
68.15301	0.7
69.03420	2.1
69.07049	3.2
69.38393	7.8
69.45396	0.7
70.16712	0.7
71.04968	3.5
79.05486	9.0
81.07049	10.0
83.04941	0.9
83.08604	1.9
85.06530	29.0
88.84039	0.7
91.05462	7.9
93.07027	10.6
95.04948	36.7
95.08584	5.9
97.06510	1.7
99.08091	0.7
105.07012	7.0
107.04946	2.9
107.08579	6.4
109.06497	26.3
109.10100	1.0
111.08075	1.5
113.05984	100.0
114.06331	1.1
116.06209	0.9
117.06970	4.2
119.08561	4.6
121.06466	2.1
121.10132	3.4
123.08038	1.5
123.11662	0.8
129.06982	3.2
131.08560	5.5
133.06470	0.9
133.10103	3.3
135.08031	21.5
135.11691	2.9
143.08516	2.4
145.10100	4.8
147.08067	2.3
147.11626	1.8
147.84959	0.8
149.09621	2.3
149.13281	1.4
157.10129	2.8
159.11678	2.5
161.09608	3.0
163.11188	2.2
171.11731	1.7
173.13226	0.7
183.11690	1.7
185.13295	1.5
187.11191	1.0
195.11673	1.0
199.14830	2.0
201.12701	1.6
217.15851	6.8
227.17871	1.2
237.16125	1.0
255.17390	1.5
273.18451	14.4
291.19489	36.9
292.19913	2.1
305.21078	5.1
323.23508	0.9
323.27231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.7
55.01862	17.7
55.05496	38.6
55.51190	2.7
56.96310	2.5
57.03428	13.8
57.07051	5.5
65.03915	5.5
67.05491	79.8
69.03405	8.9
69.06712	2.8
69.07055	33.5
69.42693	22.2
71.04968	8.5
71.08604	3.4
73.06518	4.1
79.05476	59.3
81.03391	6.7
81.07042	100.0
83.01322	3.7
83.04956	29.0
83.08594	18.7
85.06522	8.8
91.05463	70.5
93.06461	4.7
93.07024	79.6
95.04955	16.2
95.08031	4.1
95.08591	46.6
95.09167	5.0
96.42391	2.4
97.06498	10.5
97.10162	7.3
100.14912	2.4
105.07016	56.7
106.27827	2.8
107.04952	16.3
107.08572	64.4
109.02802	2.5
109.06492	17.4
109.09444	4.3
109.10136	61.7
111.04395	8.3
111.08059	16.4
115.07501	3.1
117.06984	13.7
119.08552	26.8
119.76087	2.4
121.06477	26.3
121.10143	25.3
123.04356	3.9
123.08017	12.5
123.11655	21.4
125.05956	5.0
128.06126	3.5
129.06952	8.6
131.08546	24.9
133.06471	14.9
133.10107	98.5
135.08023	13.7
135.11642	15.9
137.05980	5.8
137.09555	8.8
139.07561	14.5
141.09047	2.8
143.08517	8.9
145.10094	20.5
147.08014	16.7
147.11638	13.8
149.09596	18.2
149.13206	3.6
151.07413	2.8
151.11153	85.3
153.09007	4.0
153.12643	3.2
157.10048	7.5
159.07980	7.1
159.11639	10.5
161.09592	17.2
161.13228	8.8
163.11160	5.4
165.09152	5.0
167.10681	3.5
169.10124	3.1
171.11603	9.8
173.09613	4.8
173.13155	3.9
175.11163	6.3
177.09108	15.3
177.12793	4.6
179.10641	17.6
181.12199	3.6
183.13780	34.7
185.13153	4.3
189.12700	7.5
191.14282	2.7
193.12177	3.2
199.11156	3.8
207.13702	6.1
217.12148	5.5
227.17825	4.1
229.14192	5.9
238.91374	2.5
245.19012	16.8
255.17360	8.8
263.20001	24.7
273.18439	54.3
283.06268	13.8
291.19485	96.2
301.07312	5.5
305.21051	21.3
305.24280	4.0
318.04602	3.2
323.22104	46.0
323.25882	2.8
324.22400	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01862	13.9
55.05495	28.8
57.03418	7.6
57.07060	3.4
61.27444	2.7
65.03931	4.2
67.00418	2.3
67.05487	70.3
69.03403	7.1
69.07048	29.6
70.65382	3.1
70.80414	4.9
71.04961	5.3
71.08615	5.0
71.76768	2.3
79.05474	47.5
81.03400	4.1
81.06570	4.9
81.07035	94.3
83.04963	30.2
83.08614	14.1
85.06513	8.8
91.05458	54.2
93.07018	57.8
95.04948	17.9
95.08585	36.1
97.02817	2.6
97.06499	10.4
97.10147	8.4
99.04440	2.7
99.08086	5.5
105.06998	53.3
107.04934	9.8
107.08553	61.2
109.06506	12.6
109.10129	49.9
111.04392	5.6
111.08038	11.8
117.06976	12.2
119.08559	24.0
121.06514	16.4
121.10121	18.4
123.08007	5.7
123.11681	15.4
125.09570	5.9
128.06285	3.8
129.06937	5.3
131.08537	16.9
133.06467	14.4
133.10097	100.0
135.08022	10.8
135.11684	11.0
137.05923	4.4
139.07510	10.8
143.08522	9.1
145.06401	3.3
145.10112	17.3
147.08032	9.2
147.11658	10.3
149.09569	15.3
149.13319	4.1
151.11145	88.2
157.10063	9.7
159.08032	7.6
159.11703	5.6
161.09532	14.3
161.13266	2.8
163.11134	5.3
171.11638	7.4
173.13164	3.8
175.11110	6.6
177.09053	19.0
179.10628	10.5
181.08641	3.4
183.13757	33.6
185.13322	3.2
189.12715	5.1
199.11134	4.3
211.13214	5.0
217.12167	4.0
227.17834	5.0
229.14130	5.3
245.18964	12.3
255.17392	7.8
263.20041	12.6
273.18430	40.9
291.19482	55.5
305.21097	31.5
323.22092	34.1
323.25839	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	322.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01863	0.7
55.05504	4.3
57.03420	1.5
57.07058	0.8
59.04996	0.5
60.81981	0.5
61.02908	0.6
62.06069	0.7
65.72358	0.5
67.05484	1.4
69.03419	4.4
69.07064	0.9
70.06587	0.5
71.04967	0.7
71.61884	0.6
71.62273	0.6
73.02907	0.7
76.50943	0.4
79.05480	2.2
81.03409	3.2
81.07043	3.9
82.03728	0.7
83.04971	3.6
83.08605	8.3
85.02896	10.6
85.06532	35.4
86.06866	0.9
87.04459	2.6
91.05461	0.6
95.04929	0.6
97.02887	1.9
97.06514	1.6
97.10146	5.9
98.06120	0.4
99.04431	1.2
99.08080	8.1
105.07004	1.0
105.91734	0.5
107.08582	8.4
109.02866	1.5
109.06477	0.5
118.03712	0.6
119.04874	0.5
120.08098	2.1
125.09614	100.0
126.09917	3.8
127.03900	2.4
136.07547	0.6
137.05925	0.9
143.10657	41.3
144.10973	1.5
145.02844	1.7
145.04953	1.2
146.03258	1.3
147.04402	1.2
160.07552	0.7
160.13329	0.9
161.05991	0.7
163.06010	0.5
163.78754	0.7
166.08559	0.8
176.09161	0.6
177.05423	1.8
178.05737	2.9
223.66200	0.5
228.14873	0.5
229.10658	1.7
287.14819	2.6
304.11786	0.6
322.09808	3.0
323.12646	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12854	9.4
71.55038	1.9
99.46641	1.9
139.13184	2.1
176.92424	1.9
323.07388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.5
57.34021	0.7
67.05514	1.4
69.07057	1.6
71.05009	0.7
71.61660	0.6
71.62048	0.6
77.03915	0.8
77.83100	0.6
79.05486	2.4
81.05750	1.1
81.07053	2.4
83.08611	0.8
85.02898	0.7
85.06551	0.8
91.05476	2.0
93.07040	2.2
95.04967	1.1
95.08582	1.9
96.08119	7.8
97.06530	0.8
105.07021	1.7
106.06510	1.3
107.04883	0.6
107.08561	1.4
108.08147	0.8
109.02897	0.7
109.10157	1.5
121.10120	1.2
122.06004	0.8
123.11692	0.7
124.07573	28.3
125.07884	0.9
126.05492	0.7
131.08559	0.8
133.10088	1.4
136.07558	51.3
137.05978	1.2
137.07932	1.7
138.09116	1.3
147.04475	0.9
149.09604	0.9
150.47765	0.6
152.16141	0.6
161.05974	0.9
161.09657	0.8
164.07040	100.0
165.07394	3.7
166.07487	0.8
167.10625	0.8
182.08098	84.5
183.08450	2.7
184.97784	0.7
203.08421	1.0
210.52347	0.6
236.10640	0.6
305.17584	1.0
305.24655	0.6
306.10922	1.3
323.12524	1.3
323.25674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84851	0.4
53.03935	0.8
55.01862	0.6
55.05501	0.4
56.10577	0.4
57.03422	3.0
59.16622	0.4
59.46910	0.3
60.04504	0.5
61.02917	3.9
61.46454	0.4
67.05503	0.4
69.03418	10.2
69.07057	1.0
69.35381	4.3
69.35671	0.4
70.06570	1.6
71.04971	1.3
73.02908	2.9
79.05479	1.2
81.03397	3.1
81.07063	0.6
83.04977	0.5
84.08121	0.6
85.02888	12.8
87.04470	2.7
91.03936	0.5
91.05482	0.5
95.04933	0.6
97.02874	5.3
97.06541	0.9
98.00607	1.0
98.97560	0.7
99.04450	1.5
101.02395	0.6
103.03918	0.8
109.02859	1.9
115.05384	2.3
116.01646	0.6
116.98619	0.5
117.06982	0.7
118.06567	0.9
119.04932	0.5
123.04433	0.8
124.02158	1.1
125.05962	1.7
127.03881	3.1
130.06502	3.4
132.08081	6.3
133.02826	0.6
134.05991	0.4
142.03223	4.1
142.06497	28.1
143.07175	8.2
144.08057	13.2
145.04967	1.0
145.06522	0.6
146.05946	0.5
147.04376	0.9
155.06007	0.8
156.08073	0.5
158.05995	4.0
158.08098	0.5
158.97369	0.5
159.06752	1.9
160.04305	5.4
160.07550	77.8
161.07965	2.2
172.07585	0.9
176.98422	0.4
184.07411	0.5
190.10524	0.4
202.08583	0.9
226.08478	0.4
234.98955	1.1
279.12695	0.6
304.13574	0.7
322.12775	100.0
323.02203	0.6
323.13214	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	322.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.9
53.86135	0.9
55.01866	5.2
55.05494	4.0
57.03428	6.2
65.03911	1.9
67.05486	5.2
69.03112	0.8
69.03429	6.3
69.07058	5.6
70.68420	2.1
70.68787	1.6
71.01327	1.1
71.04985	1.4
73.02890	1.3
79.05061	1.5
79.05487	20.1
80.65112	0.9
81.03397	3.0
81.07047	33.2
82.03757	1.0
83.04953	3.2
85.02896	7.8
87.86430	1.1
91.05463	8.8
93.03379	0.9
93.07023	7.2
95.01317	9.3
95.04952	7.1
95.08603	2.6
96.91565	0.9
97.02853	1.8
97.06512	14.9
99.08053	1.7
105.07037	4.5
106.95227	0.9
107.04921	3.8
107.08581	4.8
109.02842	2.3
109.06509	20.1
109.10154	1.1
111.04427	3.5
111.08044	2.8
113.02351	2.6
117.06998	4.4
119.04909	4.1
119.08559	8.9
121.02779	1.2
121.06466	4.1
123.04408	3.9
123.08057	2.9
125.02329	1.0
125.05988	3.6
127.03919	1.4
129.06970	2.3
131.08569	3.6
133.06514	1.8
133.10085	1.0
135.04395	1.7
135.08025	4.4
137.05977	6.3
137.09630	2.2
139.03870	9.1
139.07500	1.6
141.01788	3.6
141.05455	2.5
145.02837	1.5
145.06464	1.7
147.04373	1.0
147.08012	8.4
149.05928	3.0
151.03893	1.0
151.07507	2.5
153.05415	1.5
155.07019	4.6
158.13229	1.1
159.02864	1.5
161.05905	0.9
163.07527	9.1
165.05440	1.4
165.09082	19.8
167.06996	3.0
172.47493	1.0
173.04524	1.1
173.05917	1.1
175.07504	3.2
177.05434	2.1
178.05780	2.5
181.04919	1.0
181.08569	5.3
183.10124	3.4
189.05396	1.9
191.07011	3.6
193.08565	19.5
197.04520	4.7
199.09642	13.2
209.08064	8.8
211.09621	11.5
219.06534	1.8
225.07613	1.0
227.09116	8.6
237.07512	5.3
241.10600	2.6
244.70491	0.9
255.08606	100.0
256.08881	1.5
269.10242	3.3
273.09607	7.0
287.11099	3.0
304.06229	2.1
322.07077	2.2
322.10382	1.7
322.14618	1.7
322.20038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
53.17579	1.6
53.90181	1.4
55.01854	6.3
55.05505	5.2
57.03427	4.2
58.06569	1.6
59.04985	3.1
60.04525	3.6
61.02915	2.6
67.05475	3.8
69.03426	15.3
69.07060	26.0
69.07407	2.4
69.58067	14.2
70.06593	3.2
71.04988	4.4
71.08624	15.5
73.06546	4.8
79.05495	3.0
81.03405	11.9
81.07056	6.1
83.04967	3.9
84.04486	3.7
84.08132	2.5
85.02891	54.2
85.06536	3.5
86.02428	3.6
87.04462	2.0
91.05482	4.5
93.07027	3.7
95.04964	2.2
95.08595	11.6
96.08118	2.3
97.02888	23.8
97.06530	7.2
97.10154	1.6
99.04491	3.2
99.08102	2.0
101.06004	5.2
102.05507	2.5
103.03962	4.1
105.07001	2.3
109.02866	12.6
111.00809	1.5
114.09158	12.2
115.07565	9.5
119.04961	2.3
121.10081	2.0
122.06049	3.1
123.08107	3.7
123.11692	2.5
125.06001	4.0
127.03915	19.5
128.06155	1.6
133.06487	2.3
136.07588	3.5
136.08876	1.5
138.09193	2.3
138.65331	1.5
139.03885	2.6
141.09085	13.6
142.08612	100.0
145.02850	4.6
145.04944	10.5
146.06001	16.5
147.04405	12.6
152.07089	2.6
154.08803	1.8
159.10144	14.0
160.07582	5.6
163.05984	2.9
164.07063	2.4
167.07053	2.2
174.05518	3.4
177.05486	7.1
184.09671	54.8
185.10719	2.8
185.86578	1.6
193.08580	3.3
208.09598	14.0
231.11320	7.1
238.10767	2.6
250.10776	8.4
275.10135	3.8
285.12466	2.8
286.12827	2.3
293.10175	6.9
303.09695	17.8
303.13431	13.4
304.10538	1.0
304.13913	28.3
321.09967	18.1
321.14453	13.6
328.03281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1542
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
51.24774	1.5
52.03813	1.7
55.01860	2.4
55.05499	4.7
55.43745	1.8
57.03422	2.8
60.55251	1.8
61.02915	4.2
67.05492	12.7
69.03425	10.9
69.07053	11.4
69.77126	11.7
70.06587	4.0
71.04979	5.2
72.08145	1.9
73.02858	2.1
79.05470	5.0
81.03418	9.8
81.04527	4.1
81.07044	21.7
83.04968	3.1
83.08605	3.1
84.04468	2.8
84.08129	2.4
85.02894	22.1
85.06538	4.8
88.12062	2.0
91.05468	5.5
93.07031	3.8
95.04949	6.0
95.08601	70.1
97.02876	6.5
97.06538	11.5
99.04428	2.8
99.08083	20.6
102.19873	1.7
105.07013	5.1
109.02856	4.9
109.06539	1.9
110.07189	2.1
113.09624	15.6
115.07568	20.9
118.53805	1.9
119.04927	6.6
121.02834	2.9
121.06474	2.8
122.06038	4.7
122.07120	8.4
123.08060	50.9
124.08713	2.2
125.05941	3.7
127.03885	4.4
129.09096	3.5
134.05983	9.1
136.07591	12.3
137.00580	3.1
137.05998	2.6
138.05449	2.2
138.09103	2.3
139.03920	2.4
139.09772	3.0
140.07013	2.2
141.09088	100.0
142.09355	3.1
143.07016	4.2
145.02824	5.7
145.04993	3.8
145.07587	3.1
146.06009	16.7
147.04401	27.5
149.05963	2.1
152.07059	14.5
159.10156	94.5
160.07552	5.0
160.10442	3.0
164.07031	22.1
165.05496	2.6
173.07172	8.7
174.05461	3.1
177.05409	7.7
182.08133	9.6
189.10237	6.1
190.06471	2.2
206.08330	3.3
208.09741	4.3
211.12195	2.5
239.11800	5.4
244.10030	2.3
244.12057	5.5
257.13007	5.0
260.12781	3.2
260.39398	1.8
262.13214	2.8
267.11197	7.8
273.10535	13.1
275.10025	2.6
275.13828	5.5
285.08920	2.6
285.12247	13.8
290.12634	3.9
303.13574	33.0
307.36737	1.8
307.74670	1.8
321.10037	31.0
321.14343	33.9
321.18289	4.2
330.52634	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05519	0.5
67.05491	7.7
69.03426	1.0
69.07059	1.3
69.90341	1.1
69.90751	1.7
71.04992	0.7
76.21121	0.5
79.05475	1.0
81.03405	3.2
81.07034	3.7
83.49490	0.6
85.02866	0.6
85.06528	0.9
91.05479	1.8
91.26495	0.5
93.07030	2.4
94.06552	7.5
95.04952	1.4
95.08595	1.6
98.21539	0.5
104.56824	0.6
105.07008	0.9
105.50429	0.5
107.08570	1.3
108.08111	0.5
109.02843	1.0
109.10166	1.5
113.09636	0.5
117.03383	1.1
118.06525	0.8
119.08546	0.5
121.10130	1.1
122.06008	29.9
123.04437	1.0
123.06293	0.6
125.09624	0.7
126.05507	0.7
127.03918	0.8
130.06522	1.1
132.08090	0.9
136.07555	57.5
137.05943	0.6
137.07880	1.6
139.03864	1.2
140.07059	1.4
145.02838	2.3
146.05978	1.7
147.04382	1.1
151.11284	0.5
153.05458	5.0
159.11655	0.6
162.05397	0.8
164.07037	100.0
165.07436	2.8
177.05458	5.4
182.08095	85.2
183.08447	2.2
188.07047	1.7
234.16112	0.5
242.11630	0.6
243.11171	0.9
258.11176	0.6
259.14325	1.7
286.10617	0.9
303.13379	1.0
304.11649	1.5
313.98816	0.6
321.09689	2.7
321.14059	0.7
321.23920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05491	0.7
67.05491	7.9
67.54794	0.4
69.03425	1.3
69.07053	0.7
69.65704	3.3
71.04990	1.0
79.05494	1.3
80.97633	0.4
81.03404	3.3
81.07039	3.0
83.04977	0.7
83.08649	0.4
85.02910	1.2
85.06516	0.9
91.05493	1.6
93.07041	2.0
94.06551	9.2
95.04941	1.0
95.08607	1.9
97.06476	0.5
98.20832	0.6
99.08065	0.5
100.34716	0.4
105.03378	0.4
105.07037	1.6
107.08580	1.4
108.79984	0.4
109.02870	1.5
109.10166	1.6
109.41348	0.4
113.09635	0.5
117.03398	0.5
117.05700	0.4
118.06538	0.9
119.08607	0.9
121.10161	0.8
122.06010	29.7
123.06311	1.2
123.11713	0.8
125.09592	0.7
126.05428	0.5
127.89733	0.4
130.06509	1.2
130.08646	0.7
131.08575	0.6
132.08089	1.3
133.10129	0.6
135.11655	0.7
136.07555	54.8
137.07892	1.3
140.07068	1.5
144.08080	1.0
145.02817	2.4
145.10178	0.7
146.05988	4.0
147.04379	1.0
149.05870	0.6
155.10661	0.5
157.10086	0.6
161.09651	0.6
162.05489	0.7
163.11087	0.5
164.07042	100.0
165.06140	0.4
165.07353	2.7
177.05441	4.7
182.08099	81.8
183.08455	1.7
188.07062	3.4
223.36316	0.4
238.70372	0.4
242.11731	1.6
259.14404	5.9
267.59692	0.4
285.12268	0.8
303.13235	0.8
303.16928	0.5
303.23035	1.2
304.11856	0.6
321.09958	2.5
321.14117	0.9
321.17947	1.0
321.24139	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38007	1.4
58.99837	3.0
61.83795	1.5
69.03403	2.1
69.99839	7.6
70.00250	2.1
70.99847	1.5
73.02900	2.3
74.07703	1.7
82.99838	3.0
85.02868	5.5
86.16943	1.6
91.02412	2.3
97.02876	1.9
98.21406	2.2
98.97570	2.4
100.30917	1.7
100.94697	1.6
101.00857	33.0
113.00832	8.3
115.02406	17.9
117.03981	6.9
119.01904	98.8
120.01982	4.0
127.03815	2.3
129.03937	4.3
131.01891	34.0
133.03448	48.1
134.96046	1.5
135.05025	9.0
137.02924	17.8
142.03485	1.7
143.01878	19.4
144.99820	2.4
145.03441	16.5
147.01355	2.8
147.04979	5.5
149.02924	7.0
151.04488	6.0
153.04037	2.4
155.01866	20.0
156.02649	3.3
157.03467	10.4
159.05002	23.5
161.02925	37.4
163.04480	5.6
168.99776	13.1
171.01324	5.4
171.04996	28.5
173.02934	28.8
173.06613	7.7
175.04480	8.3
177.02383	4.4
177.06093	12.4
183.04922	2.4
185.02954	5.2
185.06540	2.4
187.00844	34.6
187.02515	2.1
187.04518	3.9
189.02438	16.5
189.06044	20.2
191.03979	18.5
191.07675	2.9
192.03874	1.6
195.05157	1.5
196.99341	7.6
197.02975	1.6
201.02371	5.8
201.04457	1.5
201.06050	10.3
203.03967	8.7
203.07651	3.3
205.01894	12.9
205.05629	1.9
213.06039	6.3
215.00325	37.6
217.01891	3.9
219.01601	2.9
219.03461	7.0
219.07133	12.4
221.05025	39.2
229.01907	17.2
231.03435	2.8
231.07095	7.8
233.01288	3.8
233.05031	21.4
243.07108	3.1
245.05014	8.1
247.02953	72.9
248.03262	2.4
249.04529	3.5
255.07086	2.2
261.08151	47.8
262.08273	2.2
265.03986	14.0
270.04529	2.2
279.05740	4.7
279.09195	73.3
289.04059	15.4
307.05115	2.9
321.06552	13.5
321.10135	100.0
322.06659	2.0
322.10406	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	321.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79889	1.4
58.99861	2.1
66.81570	1.5
68.63847	1.5
69.03405	2.5
69.18436	1.6
70.01910	8.8
77.00890	1.9
82.99836	2.7
85.02883	6.9
91.02432	2.3
94.99856	1.4
97.01384	1.9
97.02860	3.9
98.97556	1.8
101.00861	30.9
103.02418	2.3
104.02397	1.7
113.00831	7.1
115.02422	16.5
116.98590	2.2
117.03980	5.3
119.01904	95.6
120.01992	5.6
122.06838	2.2
127.03892	1.8
129.03961	3.9
129.91206	1.6
131.01888	31.3
133.02547	2.6
133.03459	36.8
135.05025	8.0
137.02928	21.5
138.03011	1.7
141.03996	1.8
142.03529	1.7
143.01880	16.7
144.99750	2.7
145.03441	15.2
147.01321	3.0
147.04990	6.9
149.02948	5.1
151.04480	7.0
155.01865	19.5
156.02647	5.4
157.03439	7.8
159.01355	2.3
159.04999	27.4
161.02922	28.6
163.04486	6.7
168.99782	10.5
171.01340	6.5
171.05000	25.9
173.02931	32.3
173.06575	5.3
175.04514	7.3
177.02475	3.8
177.06058	10.6
183.05011	2.0
185.02867	3.9
185.06587	2.6
187.00856	35.0
187.04456	2.9
188.01051	2.4
189.02426	17.8
189.06042	18.8
191.03967	16.2
195.05106	2.0
195.07103	2.4
196.99223	9.1
197.02893	2.2
201.02469	4.7
201.06062	8.1
202.06046	2.2
203.03928	11.5
205.01920	13.5
205.03699	2.8
205.05553	2.2
207.03500	2.6
213.06154	7.7
215.00331	37.0
216.00482	2.3
217.01949	1.8
218.90175	1.7
219.01648	2.7
219.03506	6.7
219.07059	11.5
221.05058	37.7
222.04955	1.9
229.01938	18.9
231.03560	3.6
231.07173	7.5
233.01355	4.7
233.05032	21.8
233.08635	2.5
243.07166	3.5
245.04997	6.8
246.87186	1.6
247.02965	74.4
248.03127	5.0
249.04485	5.1
251.06073	2.9
255.07156	3.3
261.04379	3.3
261.08188	43.6
261.10831	3.6
265.04016	15.5
273.08179	2.2
279.09222	74.0
280.09158	2.4
289.04028	15.8
307.04968	3.2
321.06564	12.6
321.10165	100.0
322.10461	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	321.094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18874	1.7
57.33398	1.7
69.86708	11.0
69.87093	2.4
101.08942	2.0
119.01875	3.7
133.03439	2.4
141.06532	2.2
157.03453	2.1
321.09357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2627
Annotation	Stereonsteroid A
Peak:m/z	Relative Intensity
53.03943	3.4
55.01849	2.4
55.05507	16.3
57.07066	4.5
67.05493	38.5
69.03413	6.1
69.07061	22.2
71.04983	5.4
71.62283	4.8
74.79916	2.1
75.52415	2.3
79.05478	32.8
79.05909	4.0
81.03410	3.1
81.07046	71.6
83.04972	7.6
83.08610	7.4
85.06527	9.0
88.31647	2.1
91.05464	35.4
93.06459	4.6
93.07027	69.7
95.04962	8.8
95.08593	96.9
96.08896	3.9
97.06509	5.0
97.10139	8.5
105.07015	51.2
107.08582	80.3
108.08932	3.2
109.02827	2.4
109.06503	8.7
109.10149	41.8
111.08067	10.0
113.09570	4.1
117.06989	9.2
119.08571	61.2
119.09431	3.0
121.06493	5.7
121.09296	4.5
121.10125	58.5
123.08072	4.6
123.11688	12.6
125.09615	6.9
129.06975	2.8
131.08549	20.3
133.10121	57.7
135.08031	11.5
135.11684	67.7
136.12016	4.7
137.05927	2.8
137.09587	6.3
137.13248	4.7
139.11201	3.1
142.07777	2.7
143.08556	7.8
144.08015	4.6
145.10123	25.9
147.04404	3.3
147.08109	2.5
147.11650	44.9
148.12090	2.4
149.09622	3.0
149.13222	34.8
151.07555	2.8
151.11171	16.1
151.14809	2.3
153.09213	2.7
157.10106	8.3
159.11682	29.3
161.09627	5.6
161.13228	32.8
163.11197	6.1
163.14787	34.1
165.12729	3.6
171.11656	11.7
173.13240	32.1
175.11176	4.8
175.14807	34.7
177.12737	6.3
177.16418	4.6
179.14287	2.6
185.13263	8.5
187.14774	27.8
189.16348	47.9
190.16809	2.6
191.14299	3.0
193.15898	3.6
197.13298	4.3
199.14795	11.5
199.90881	2.3
201.16331	16.3
203.17958	5.2
205.15952	2.7
213.16360	14.4
214.16856	3.4
215.17909	8.5
217.15796	2.6
217.19583	2.7
219.17381	3.7
225.16411	3.0
227.17953	7.2
229.19444	12.2
241.19513	5.7
245.18958	4.1
247.20329	3.6
255.21049	3.6
257.22623	3.5
283.21017	4.2
283.24167	100.0
284.24454	8.1
284.27414	2.6
301.18146	3.8
301.21649	10.3
301.25192	99.9
302.25378	4.8
319.15430	3.8
319.19046	2.6
319.22528	13.8
319.26334	44.6
320.26230	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	318.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
55.05520	0.3
57.03427	0.9
61.02906	1.3
67.05512	0.4
69.03423	3.7
69.07051	0.7
69.47740	2.2
69.48145	0.7
70.06570	0.4
71.04990	0.4
73.02901	0.9
79.05485	0.5
81.03400	1.2
81.07043	0.4
81.63964	0.3
82.06574	0.4
85.02422	0.5
85.02903	8.0
87.04456	0.8
91.03934	0.6
91.05489	0.6
93.07057	2.1
95.05029	0.4
95.08578	1.2
96.04485	2.2
96.08114	1.4
97.02887	2.7
97.05280	1.5
97.06516	1.0
98.21461	0.7
99.04444	0.8
100.07607	1.1
103.05464	0.7
108.08109	0.4
109.02850	0.9
109.06538	0.3
110.06037	5.3
110.09660	2.6
111.08075	0.9
120.08099	0.8
121.06494	17.4
125.08362	0.9
125.69195	0.4
126.09135	8.7
127.03890	1.8
138.09125	19.4
139.07495	2.6
141.64853	0.3
145.04932	1.8
156.10187	100.0
157.10545	2.4
168.10188	0.7
180.10214	0.5
187.07420	0.4
187.29817	0.3
198.11188	0.8
222.11266	0.5
229.99887	0.4
301.11871	0.7
318.11581	0.6
318.15332	4.1
322.97491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01847	2.7
57.03415	5.3
61.02917	11.4
68.34339	1.2
69.03418	20.1
70.77369	2.6
70.77729	2.5
71.01345	1.2
71.04963	3.2
73.02897	3.9
81.03410	10.1
85.02888	100.0
86.03210	1.4
87.04444	1.6
91.03925	7.0
91.05444	2.0
93.07014	2.8
95.04952	10.5
95.08539	1.8
97.02273	1.8
97.02879	25.9
99.04433	5.2
103.03845	1.5
109.02851	8.9
110.06030	2.0
110.09674	1.7
120.08064	1.9
120.62081	1.2
121.02849	5.5
121.06483	67.0
122.06792	1.8
127.03892	20.7
130.90755	1.1
138.05473	7.0
138.09116	14.5
139.03877	26.5
145.04945	37.8
145.06253	2.0
145.06442	2.7
151.13841	1.4
156.06502	4.9
156.10168	40.9
162.07632	1.7
163.06001	8.9
171.08034	1.4
179.06960	1.9
180.08643	21.5
187.07455	7.9
205.08571	9.3
229.08580	5.3
247.09663	4.8
265.10669	3.1
276.14380	1.3
318.15469	5.3
319.13547	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01857	3.4
55.05489	1.2
57.03422	4.1
61.02909	11.4
67.05482	2.7
68.16483	1.2
69.03419	21.3
69.07059	3.3
70.06056	5.5
70.06580	25.2
71.04964	1.9
73.02899	3.6
79.05457	1.1
81.03401	8.0
85.02888	100.0
86.03236	2.1
86.09708	1.2
87.04452	2.2
91.03938	5.6
91.05472	2.9
93.07017	10.2
95.04957	5.5
96.61105	1.3
97.02876	27.5
97.06544	1.3
99.04436	4.9
103.05450	2.5
109.02879	8.5
112.07643	1.8
113.09667	1.3
115.03920	1.4
116.24212	1.2
120.08147	1.5
121.02868	3.2
121.06481	95.3
122.06864	2.4
123.04389	1.8
127.03890	21.6
130.06522	2.4
131.08572	2.0
136.07553	1.2
137.02350	1.1
137.05957	1.6
138.05463	4.1
138.09106	3.4
139.03870	5.3
139.07510	3.1
140.07036	9.6
141.06935	1.6
145.04932	40.3
145.06221	1.6
145.06493	2.2
156.06473	3.0
156.10118	7.8
157.08586	3.1
158.05977	2.3
159.08012	3.6
163.05988	9.2
169.06445	1.5
175.07405	2.4
175.08704	3.3
179.07024	2.5
180.08669	4.4
182.08134	5.1
187.07492	16.3
201.09081	1.4
205.08556	9.9
217.08620	2.4
221.09254	5.6
229.08588	5.0
247.09663	5.6
258.08603	1.5
265.10641	5.0
300.10037	2.3
302.12323	2.6
318.11285	4.4
318.14810	2.5
319.12814	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
53.34306	1.0
55.01854	2.0
55.82209	1.1
57.03426	6.5
58.99864	1.8
59.04997	11.0
60.56859	1.1
61.02921	5.7
61.59613	1.1
66.32995	1.0
67.05465	1.2
68.34928	0.9
69.03429	15.3
70.06593	2.2
71.04972	3.4
71.61214	1.3
72.08145	1.7
73.02917	7.0
77.00924	1.4
79.05493	1.3
81.03404	7.5
81.07035	1.1
82.99875	1.9
83.01318	1.1
83.04980	1.2
84.04500	5.0
84.08156	1.8
85.02905	28.8
86.09723	2.7
87.04456	5.6
91.03960	1.5
91.05470	3.0
93.07057	4.2
95.04967	2.2
97.02890	15.0
98.97583	2.9
99.04459	3.6
101.00886	7.5
102.00982	1.3
103.05466	2.2
107.04986	3.1
109.02885	6.9
110.06046	5.7
111.04455	3.2
113.00872	1.1
113.03497	1.5
115.02417	1.7
116.98621	2.2
119.01917	32.1
119.04947	1.2
120.02029	4.5
121.01671	3.0
121.02871	9.8
121.04238	3.4
121.06504	100.0
122.06830	1.6
127.02404	1.3
127.03912	8.5
129.54613	1.2
130.04761	2.5
131.01901	6.7
133.03464	14.3
133.10077	1.1
136.06139	2.0
136.07594	3.3
137.02940	6.4
137.04619	1.6
137.05960	2.7
138.05498	97.6
138.09129	33.4
139.02402	1.9
140.03220	1.2
140.44154	1.2
143.01866	9.5
145.03471	9.4
145.04945	4.9
146.03621	1.5
147.04317	3.3
149.02966	3.2
151.04532	3.9
155.01918	2.1
155.05498	3.9
156.06548	55.3
156.10197	2.1
157.01598	1.3
157.03470	11.8
158.03632	1.4
159.05083	2.2
161.02946	12.4
162.03168	2.3
167.07043	1.7
169.03537	1.7
171.01419	3.1
171.05067	2.6
173.02946	7.4
174.02959	1.6
175.00877	12.6
175.04488	9.3
176.04614	1.8
178.00966	1.5
183.05052	2.0
184.05884	7.8
184.55984	2.9
185.03006	2.0
187.04543	3.6
187.54871	1.3
189.02466	9.5
193.01979	3.1
194.07069	2.5
195.05093	1.3
199.04477	1.9
201.02634	1.5
203.04004	5.6
204.02585	2.9
204.10081	1.5
205.05557	3.0
206.05377	2.5
207.03627	1.6
211.04700	1.8
215.00272	1.8
215.04033	2.6
216.07947	2.0
217.01921	25.3
217.09120	1.3
218.07109	2.6
218.57245	1.3
219.01910	1.7
221.05093	12.1
223.06624	20.1
224.06902	2.8
225.06367	1.4
227.07628	58.5
227.57732	20.1
228.07478	5.8
229.05745	3.0
231.03473	2.5
235.02986	18.4
236.08188	13.5
236.58286	5.2
237.08195	1.5
241.07677	6.5
244.06908	2.2
245.01411	1.8
245.05014	4.8
247.06670	5.0
247.59122	2.6
249.04385	1.6
257.05078	5.6
259.03049	5.0
259.06750	5.4
265.07697	5.1
275.06210	2.3
277.04071	17.4
277.07623	3.5
279.09418	1.9
282.11261	1.6
289.04160	1.2
294.03757	1.4
295.03583	2.3
300.12259	4.1
309.10461	1.8
318.02359	2.4
318.07007	4.3
318.10916	3.4
318.14188	1.9
318.18945	1.5
318.29904	1.3
319.01202	3.8
319.05075	5.6
319.08414	4.3
319.12573	3.7
328.75027	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2469
Annotation	3-Acetyl-5alpha-androst-2-en-17beta-ol
Peak:m/z	Relative Intensity
53.03912	1.2
55.05506	4.3
57.03444	0.8
64.18439	0.8
67.05497	9.0
69.03423	6.3
69.07071	4.0
70.06568	0.8
70.88521	2.2
71.04935	1.1
79.05065	0.8
79.05483	13.3
81.07047	20.9
83.04954	1.8
83.08587	3.4
84.32003	0.7
85.06515	1.4
88.07593	1.5
91.05466	10.1
92.68426	0.7
93.07031	17.6
95.04945	1.9
95.08045	1.2
95.08598	18.1
96.08875	0.9
97.06496	3.2
97.10143	1.9
99.08077	0.9
105.07018	20.1
107.08587	28.0
109.06503	1.6
109.09428	1.1
109.10143	11.0
111.08052	2.6
116.53862	0.8
117.06976	3.5
119.08567	20.4
121.06507	1.0
121.09293	1.3
121.10130	19.0
123.08018	1.8
123.11671	4.3
129.07004	1.4
131.08556	9.9
131.95015	0.8
133.10115	15.4
135.08043	6.4
135.11671	17.0
137.09587	2.7
137.13220	2.0
138.02849	0.7
143.08537	3.2
145.09019	1.1
145.10104	13.7
147.11665	15.6
149.09607	2.0
149.13277	6.1
151.11165	5.9
157.10083	4.0
159.10434	1.4
159.11676	19.0
161.09605	0.9
161.13235	8.4
163.11194	1.8
163.14787	2.5
165.12711	1.4
169.10117	0.8
171.11627	3.6
172.86060	0.8
173.13242	11.2
175.11092	1.4
175.14780	3.0
177.12756	7.9
177.16374	1.7
179.14284	2.3
183.11626	1.8
183.96045	0.8
185.13312	4.3
186.13893	0.9
187.14780	5.6
189.12683	2.3
189.16417	2.1
191.14247	4.4
192.84697	0.7
195.44487	0.7
197.13249	1.2
199.14806	3.3
200.15578	0.7
201.16365	2.6
203.14285	2.2
203.17920	1.2
205.15854	7.3
211.14796	2.0
213.16356	2.2
215.17928	100.0
216.18333	4.5
217.15797	1.9
225.16338	2.3
227.17984	4.0
229.15878	1.1
233.18974	31.4
239.17938	1.6
253.19487	1.0
255.21086	1.2
256.26340	2.8
266.46375	0.7
281.22623	18.9
282.22949	1.2
299.23645	32.2
300.23990	2.0
317.06558	1.0
317.24725	53.5
317.27783	2.0
318.25027	2.6
318.30045	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	317.247
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
51.93824	0.9
55.05505	9.2
57.07056	1.6
65.03949	1.3
67.05493	16.6
69.03400	1.5
69.07061	7.7
70.20776	2.6
70.21172	1.9
71.04975	2.5
78.75515	0.9
79.05482	11.2
81.06567	2.6
81.07046	51.3
83.04958	1.1
83.08598	3.4
91.05457	16.2
92.51335	1.1
93.07030	26.6
95.04959	1.5
95.08593	21.2
97.06506	5.2
97.10135	2.1
105.07018	45.8
107.08581	29.7
109.06475	2.4
109.10138	22.7
114.89249	1.2
117.07021	9.2
119.08569	24.2
121.10119	20.0
123.04455	1.7
123.08067	1.4
123.11683	6.8
129.06996	4.7
130.07816	1.5
131.08548	22.0
133.10107	70.9
134.10442	2.1
135.08064	1.2
135.11668	18.4
137.09538	2.5
137.13251	2.2
141.06989	1.9
142.07767	5.3
143.08548	11.9
144.09274	2.2
145.10106	30.3
146.10504	1.2
147.11658	20.3
148.11929	1.2
149.09596	4.6
149.13231	20.4
150.13708	1.2
151.11156	22.1
155.08521	7.2
156.09369	2.3
157.10098	37.0
158.10591	1.4
159.11673	39.5
161.09608	1.5
161.13246	19.3
163.11197	3.7
163.14828	3.3
165.05431	3.9
165.12749	4.9
168.09320	1.7
169.10118	10.5
170.10678	1.4
171.11681	14.5
173.13213	17.6
175.11147	6.9
175.14815	3.9
177.12679	5.4
179.14238	1.3
181.10123	2.6
182.10896	2.4
183.11647	15.9
184.12260	1.6
185.13231	16.4
187.14742	9.8
189.12749	5.4
189.16280	2.1
191.14284	3.3
195.11687	2.0
196.12416	2.9
197.13231	11.0
199.14803	17.2
201.16386	9.2
203.14294	3.9
205.15906	1.4
210.13924	1.9
210.40190	1.1
210.92931	1.1
211.14777	23.0
212.15277	1.7
213.16348	8.6
215.17937	5.8
216.84926	1.0
217.15881	3.6
223.14911	1.7
225.16357	15.6
226.17091	1.4
227.17923	3.6
229.15846	3.9
237.16292	2.5
239.17918	15.9
240.18340	1.6
241.19455	10.3
243.17499	2.0
252.18736	2.2
253.19510	4.2
254.87772	1.2
255.21069	4.3
257.18997	1.7
266.20187	1.3
273.21899	1.3
281.22592	100.0
282.22876	5.4
299.23648	96.3
300.24002	3.5
301.43329	1.2
317.24716	53.6
318.25021	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	317.247
Annotation	17beta-Hydroxy-4,4-dimethylandrost-5-en-3-one
Peak:m/z	Relative Intensity
55.05502	9.9
67.05491	13.7
69.03410	4.1
69.07051	7.5
69.39237	1.8
69.85583	1.3
71.04971	1.9
79.05478	11.8
81.07042	42.0
83.04944	2.6
83.08597	5.1
91.05470	14.4
93.07020	24.7
95.04960	4.0
95.08591	21.1
97.06502	5.7
105.07014	30.7
105.62746	1.6
107.08561	21.5
109.06496	4.1
109.10136	19.7
111.08085	1.6
117.06998	7.0
119.08575	21.4
121.10124	14.6
123.04403	5.4
123.08038	3.2
123.11695	5.9
128.06189	2.2
129.06976	4.9
131.08556	18.5
133.09096	2.4
133.10103	44.0
135.08061	2.9
135.11688	14.5
137.09627	2.1
137.13251	3.4
142.07779	4.3
143.08522	15.0
144.09319	3.8
145.10103	25.5
147.04387	4.3
147.11646	18.9
149.13222	13.3
151.11156	14.6
155.08507	8.5
157.10092	36.6
159.11661	35.3
161.13199	16.4
163.11150	4.6
163.14740	3.8
165.05452	15.1
165.12743	7.8
168.09406	1.6
169.10088	15.5
171.11670	17.9
173.09567	3.1
173.13222	17.2
175.11188	5.1
175.14803	4.2
177.12750	3.3
181.10010	1.9
182.10855	3.5
183.11668	15.5
184.12308	1.9
184.16588	1.7
185.13226	20.3
187.14771	10.8
189.12695	3.6
191.14235	3.1
195.11632	1.8
196.12456	4.4
197.13197	14.4
199.14799	17.9
201.16324	12.4
203.14264	2.7
210.13904	1.9
211.14780	25.4
211.16692	2.1
212.15401	2.1
213.16348	11.6
215.14337	2.7
215.17917	6.6
217.15826	3.4
223.14850	2.5
224.15630	1.7
225.16376	17.1
226.16943	1.9
227.17906	3.9
228.17894	1.9
229.15842	6.2
229.19130	2.1
237.16263	4.0
239.17918	16.7
240.18408	2.0
241.19513	10.4
251.18011	1.8
253.19432	4.0
255.21010	2.5
259.10883	1.8
281.22571	100.0
282.22876	6.5
299.20322	4.3
299.23621	94.2
300.23953	3.5
317.03131	1.8
317.06512	8.3
317.10226	4.9
317.13736	3.7
317.21158	6.1
317.24649	46.8
318.24985	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	317.247
Annotation	3-Acetyl-5alpha-androst-2-en-17beta-ol
Peak:m/z	Relative Intensity
53.03941	1.5
55.01868	1.5
55.05499	5.9
57.03429	1.1
57.07079	1.4
61.02934	0.8
63.70497	0.8
63.77575	0.7
65.03936	1.1
67.05499	13.3
69.03419	8.7
69.07055	7.6
69.44225	5.7
69.44630	1.3
71.04978	2.2
71.26441	0.7
78.99307	0.6
79.05478	15.6
81.03423	2.4
81.07043	30.7
81.07512	1.6
83.04974	4.2
83.08616	3.3
85.02897	8.0
85.06557	2.2
91.05462	13.6
92.05794	0.8
93.07028	24.9
93.07626	1.4
95.04937	4.7
95.08594	27.8
97.02885	2.1
97.06522	2.8
97.10162	2.2
99.04455	1.1
103.05463	1.2
105.07014	24.2
107.04940	1.5
107.08578	32.0
108.08876	0.8
109.02892	3.3
109.06512	4.1
109.10138	17.5
111.08044	5.0
113.06011	0.8
113.09626	1.1
115.05458	1.3
117.06970	5.0
119.04890	1.1
119.08563	26.0
121.02843	1.1
121.06488	2.3
121.10129	23.6
121.11016	1.3
122.10528	0.8
123.04420	4.8
123.08054	2.7
123.11708	5.2
125.09609	2.4
127.03914	1.8
128.06142	0.8
129.05415	1.0
129.06981	3.1
131.04906	1.5
131.08543	12.5
133.06500	1.2
133.10110	23.1
133.11064	1.5
135.08051	9.4
135.11673	18.8
137.05948	1.9
137.09587	4.1
137.13240	5.4
139.03906	1.5
141.05522	1.1
141.06966	1.2
142.07813	1.1
143.08528	5.6
144.50851	0.8
145.04951	1.1
145.10107	16.9
147.04373	4.3
147.08051	1.2
147.11653	17.4
149.09590	3.5
149.13251	6.1
151.03932	1.0
151.11159	5.0
153.01726	1.1
155.08549	2.6
157.10103	7.6
159.11679	19.3
161.05981	1.0
161.09584	3.9
161.13243	12.0
163.07542	2.1
163.11148	3.1
163.14801	1.9
165.01791	1.2
165.05473	8.9
165.12743	3.2
167.06953	0.9
169.10088	2.1
171.07986	0.9
171.11694	5.1
172.12341	0.9
173.09615	1.8
173.13260	12.2
174.96910	1.9
175.11162	4.2
175.14795	5.1
177.05402	1.1
177.09074	0.9
177.12746	9.3
177.16336	1.3
179.14291	3.1
182.10867	1.1
183.02838	0.9
183.11676	2.1
185.13235	5.8
186.13992	1.5
187.11116	0.8
187.14783	7.9
189.09081	1.1
189.12727	2.2
189.16377	2.2
191.10732	0.9
191.14244	4.6
197.13232	2.7
199.14729	4.5
200.15421	1.0
201.12675	0.9
201.16380	3.4
203.10449	0.8
203.14328	2.3
203.17934	1.4
205.15822	7.3
211.14772	3.2
213.16342	3.4
215.17924	100.0
216.18228	3.7
217.15845	2.4
221.15298	0.9
225.16321	2.1
227.17908	3.2
231.17429	1.2
233.18970	28.4
234.19229	1.4
241.19582	1.2
243.13887	1.0
243.17349	1.2
253.12212	0.8
253.19548	1.8
255.20944	1.8
257.04446	1.4
271.13464	0.8
271.20532	1.8
281.22577	20.9
282.22842	1.7
299.09283	1.9
299.20068	4.0
299.23615	32.4
300.23843	1.5
302.04135	1.9
317.02792	1.3
317.06473	10.5
317.10147	3.4
317.13766	2.4
317.17245	1.9
317.21045	7.0
317.24661	57.3
318.07022	1.1
318.10880	1.8
318.24957	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	317.2469
Annotation	20alpha-Hydroxy-4-pregnen-3-one
Peak:m/z	Relative Intensity
52.48503	0.6
55.01853	0.9
55.05493	2.8
56.05021	0.8
57.07056	2.0
60.04519	15.0
61.04837	2.3
62.36760	0.6
67.05492	6.5
69.03400	1.4
69.07054	4.0
70.06570	2.5
71.04958	1.9
71.62444	0.6
71.62865	0.8
79.05476	8.2
81.07046	14.8
82.07373	1.0
83.04974	7.3
83.08602	1.6
85.06519	1.1
87.04443	1.0
88.07602	2.2
91.05462	4.6
93.07029	8.8
94.13947	0.6
95.04962	1.8
95.08592	12.8
96.08916	0.7
97.06514	94.1
97.10121	0.7
98.06844	1.2
100.68198	0.6
102.09139	1.9
105.07019	5.9
107.04984	1.5
107.08579	8.1
109.06499	92.8
109.10139	8.0
110.06845	1.3
111.04461	0.8
111.08046	1.1
117.07040	1.7
119.08554	7.4
121.06463	2.2
121.10134	8.0
123.08057	10.4
123.11676	2.9
129.06972	0.9
131.08562	3.4
133.10124	5.2
135.08037	1.1
135.11676	5.6
137.09581	1.7
139.11130	0.6
143.08527	1.7
145.10098	4.7
147.11690	4.3
149.09605	2.1
149.13234	2.7
151.07439	0.7
155.08551	0.8
157.10109	1.7
159.11639	4.9
161.09616	0.8
161.13237	2.0
163.11168	1.8
163.14795	1.4
165.09160	0.6
169.10081	1.6
171.11649	2.3
173.13214	3.1
175.11176	1.1
175.14832	3.3
177.12733	4.2
177.16367	1.1
183.11674	1.4
185.13271	2.1
187.14819	1.9
189.12660	0.7
189.16371	2.1
191.14284	0.8
191.17940	1.5
197.13297	0.9
199.14809	2.5
201.16367	1.8
203.14317	1.0
203.17944	3.0
211.14677	1.1
213.16316	0.9
215.14449	0.8
215.17899	3.3
217.19464	1.6
225.16371	2.1
229.15909	0.9
229.19669	0.8
239.18077	0.8
241.19537	1.3
243.17418	0.8
255.21068	2.0
256.26334	5.7
258.42258	0.7
273.22125	3.8
281.22650	8.9
281.26672	2.1
299.20258	1.1
299.23703	11.7
299.27701	3.3
302.04166	0.8
317.06580	3.9
317.21368	4.8
317.24756	100.0
317.28705	12.1
318.25040	6.1
318.29990	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2469
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
51.74779	1.0
53.95737	1.2
55.05504	8.0
57.01385	1.5
57.07067	2.1
67.05489	9.0
69.03416	2.2
69.07053	5.3
70.68444	2.3
71.04957	1.7
79.05489	9.4
81.07041	36.2
83.04956	3.0
83.08607	3.2
84.88589	1.3
85.06535	3.3
91.05458	7.8
93.07030	15.3
95.04934	2.6
95.08598	16.5
97.06515	2.9
97.10123	1.8
99.79580	1.1
105.07022	18.5
105.94436	1.2
107.08577	14.3
109.06538	1.2
109.10154	9.5
112.78355	1.2
117.07007	4.4
119.08573	14.3
121.06509	2.1
121.10121	8.7
123.04439	2.4
123.11703	3.1
129.07001	2.9
131.08559	12.7
133.10117	17.7
135.11658	7.0
137.09637	1.4
141.06917	1.4
142.07735	4.7
143.08546	12.0
144.09317	1.4
144.33688	1.3
145.10101	13.0
147.04402	2.1
147.11662	9.8
149.09537	1.5
149.13228	6.5
151.07550	1.5
151.11214	3.4
154.36105	1.7
155.08511	6.7
156.09355	2.1
157.10101	30.5
159.11659	20.9
161.09602	2.2
161.13248	6.6
163.11168	2.7
163.14809	2.8
165.05469	3.7
165.12791	6.2
168.09326	1.3
169.10107	15.6
170.10944	1.8
171.11646	14.2
173.09573	1.3
173.13232	10.4
175.11249	2.9
175.14937	2.2
177.12749	1.4
181.10156	2.1
182.10910	4.3
183.11656	14.5
184.12392	1.9
185.13240	10.8
187.14835	5.7
189.12697	3.5
192.89403	1.3
195.11708	1.8
196.12463	3.1
197.13237	17.4
198.13959	2.0
199.14804	16.9
201.12881	1.3
201.16371	13.9
203.14308	2.7
204.62752	1.3
211.14804	34.4
211.16727	2.6
212.15433	3.9
213.16365	11.8
215.14362	3.7
215.17935	5.9
217.15921	1.6
223.14737	1.6
225.16318	14.7
227.17931	2.1
229.15852	5.9
237.16373	3.2
239.17896	17.1
241.19518	10.6
252.18713	3.7
253.19534	1.7
255.21089	3.7
257.19156	1.5
281.22601	100.0
282.23010	5.1
299.23654	84.2
300.24005	3.9
317.06516	4.1
317.10040	2.1
317.17627	1.3
317.21124	4.6
317.24731	21.9
318.25003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2468
Annotation	3beta-Hydroxy-5alpha-pregn-16-en-20-one
Peak:m/z	Relative Intensity
50.01560	1.0
53.43871	1.2
55.05500	7.0
57.07067	2.4
67.05490	18.7
69.03403	2.6
69.07050	8.7
69.44235	13.0
71.04977	5.3
79.05482	11.3
81.03431	1.4
81.07043	29.7
83.04937	2.5
83.08576	5.0
83.15132	1.4
85.06530	9.1
88.92200	1.4
91.05458	13.8
93.07040	23.8
95.04954	8.4
95.08593	32.9
97.06534	7.4
97.10147	1.7
99.04437	1.6
105.07006	28.4
107.04967	1.5
107.08572	22.8
109.06489	3.8
109.10146	16.3
111.08049	2.9
117.06965	8.7
119.08553	22.7
121.06474	2.1
121.10130	17.1
123.04390	3.5
123.08022	2.8
123.11706	6.4
125.09590	3.5
128.06194	1.4
129.06978	5.4
130.07793	2.1
131.08549	19.3
133.10104	21.1
135.08034	2.7
135.11668	16.0
137.09573	2.8
137.13226	1.9
141.06981	1.9
142.07759	3.7
143.08568	10.3
144.09239	4.7
145.10098	25.5
147.04388	1.7
147.08052	3.1
147.11668	22.8
149.09601	3.3
149.13229	10.0
151.11191	2.5
154.07651	1.4
155.08569	4.2
156.09369	1.7
157.10106	21.9
159.07971	1.8
159.11664	48.0
160.11969	1.4
161.09538	1.6
161.13228	21.8
163.11174	4.3
165.05460	4.7
165.12773	10.6
167.10629	1.6
168.09407	1.5
169.10110	6.6
171.11658	12.5
173.13229	19.2
174.35229	1.4
175.11134	3.8
175.14845	7.3
177.12691	5.5
183.11644	7.1
185.13235	15.3
187.14828	9.6
189.12717	5.9
195.11703	2.0
196.12315	1.6
197.13258	10.5
199.14813	14.1
201.16409	4.6
203.14281	3.0
208.92743	1.4
210.14104	1.4
211.14763	15.3
213.16371	9.0
214.16971	1.6
215.17934	2.5
217.15872	1.6
223.14809	2.7
225.16367	12.5
226.16939	1.4
227.17831	2.6
237.16284	3.7
239.17944	12.5
241.19426	3.8
242.10439	1.9
243.17487	2.4
251.17816	1.5
252.18687	11.1
253.19444	4.9
253.22174	1.4
255.21036	33.1
256.11868	3.2
257.18954	2.9
259.17105	1.3
266.20248	4.1
270.19629	1.8
273.22018	10.0
281.22592	85.5
282.22830	4.4
299.20306	4.6
299.23630	100.0
300.24008	7.6
317.06488	5.1
317.14789	12.5
317.21100	7.5
317.24686	49.2
317.28342	1.1
318.24606	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.2
55.01844	1.1
55.05470	0.8
57.03400	2.0
61.02913	2.6
67.05469	0.9
68.05016	7.3
69.03424	7.8
69.07050	0.9
70.06565	0.8
71.04959	1.5
71.61451	0.5
73.02875	1.0
79.05466	0.6
81.03406	3.4
81.07040	3.5
83.04979	0.5
84.98323	0.4
85.02891	23.5
85.06506	0.7
86.07236	0.5
86.09660	0.4
87.04420	1.4
90.06946	0.4
91.03907	1.5
91.05430	1.8
93.07010	1.8
95.04925	0.7
95.08577	1.3
97.02876	7.4
97.06540	0.7
99.04433	1.4
100.06447	0.5
105.06962	0.5
107.08560	0.7
109.02857	2.0
109.06449	2.0
109.07624	25.4
109.10148	0.9
111.08046	0.6
119.04919	0.9
119.08527	0.8
119.57677	0.4
120.36633	0.4
121.10099	0.6
123.04381	1.2
123.05549	0.6
127.03906	4.1
127.07542	0.9
137.06003	5.5
137.07069	100.0
138.07382	0.7
138.50218	0.4
145.04936	4.9
151.07509	1.0
155.08130	73.9
155.10736	1.8
156.08446	0.8
165.05453	3.2
207.09798	0.5
243.62228	0.4
287.10248	1.3
317.06604	1.9
317.10818	1.5
317.13754	1.0
318.11005	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.065
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.89538	0.1
54.66111	0.1
55.01837	0.1
55.05501	0.1
65.03931	0.5
67.01853	0.1
67.05483	0.3
68.12870	0.1
68.99793	0.3
69.03412	0.3
69.07051	0.2
71.04968	0.1
71.32877	0.2
79.05497	0.3
81.03387	0.4
81.07059	0.5
83.04942	0.1
85.06533	0.1
91.05446	0.6
92.02608	2.3
93.03391	2.2
93.07036	0.7
94.04192	0.2
94.07341	0.1
95.04927	0.5
95.08579	0.6
97.02876	0.2
97.06509	0.1
97.10149	0.1
99.04415	0.1
103.05451	0.3
105.03386	0.1
105.07006	0.5
107.04874	0.2
107.08598	0.5
109.02849	0.4
109.06500	0.2
109.10143	0.4
111.00792	0.4
111.04397	0.1
115.05481	0.1
117.06999	0.2
119.08552	0.4
120.02024	0.2
121.02856	1.9
121.06480	2.8
121.10111	0.3
122.03589	0.2
122.06808	1.4
123.04412	0.6
123.08029	0.1
126.03114	0.9
129.06961	0.2
131.04961	0.2
131.08504	0.2
133.02834	0.2
133.10098	0.4
135.04410	0.2
135.08047	0.3
135.11635	0.2
137.02281	0.4
137.05989	0.3
137.09639	0.2
139.03873	1.5
141.05408	0.1
143.08495	0.1
145.06435	0.3
145.10118	0.3
147.04387	0.4
147.08101	0.1
147.11586	0.2
149.02290	0.2
149.09631	0.2
150.03093	0.3
151.03867	1.5
152.00996	0.1
152.14328	0.9
153.01802	14.4
153.14638	0.4
154.02148	0.2
155.04909	0.3
157.06462	0.1
157.10112	0.2
159.08003	0.1
159.11703	0.2
161.06001	0.3
161.09599	0.2
163.03877	0.5
163.07512	0.2
163.11209	0.1
165.01790	1.2
165.05434	0.6
165.09111	0.1
165.12711	0.1
166.02554	0.3
167.07014	0.1
169.10086	0.2
170.02113	0.2
171.11696	0.2
173.05988	0.4
173.09546	0.1
173.13248	0.1
175.11121	0.2
176.04715	0.1
177.01852	0.2
177.05447	0.4
177.09061	0.1
179.03400	0.3
183.02844	0.4
183.04353	0.2
185.13246	0.2
187.03926	0.1
189.05441	0.2
189.12688	0.1
190.02621	0.1
190.06255	0.2
191.10884	0.1
200.04686	0.6
201.05443	1.6
203.03368	1.2
204.04132	0.2
211.03868	0.2
211.07466	0.1
215.03528	0.1
217.04909	2.5
218.05707	1.2
218.11710	0.1
219.02864	0.4
219.06390	0.1
219.11932	0.1
225.08997	0.1
228.04134	2.9
228.06386	0.2
229.04916	6.6
230.05460	0.2
231.02837	0.8
232.03557	0.3
239.03268	0.1
241.08611	0.1
243.06451	0.2
245.04408	3.1
246.05183	3.1
247.02304	0.1
248.47424	0.1
253.08557	0.2
256.03656	0.3
257.04407	4.4
257.11511	0.2
258.04822	0.2
260.03149	0.8
261.03787	0.1
261.07428	0.6
271.05948	0.2
271.20691	0.1
272.20029	1.3
273.03888	3.0
273.20355	3.5
274.01627	0.2
274.04675	5.7
284.03119	1.0
285.03876	7.0
285.10690	0.2
286.04468	0.4
286.26599	0.1
287.01791	0.2
288.06226	0.4
299.05756	0.2
299.09314	0.2
299.13168	0.1
299.20023	0.3
301.03391	0.4
302.04160	19.9
303.04440	0.7
316.22678	0.8
317.06500	100.0
317.23120	4.5
318.06842	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	317.065
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01850	0.1
65.03925	0.6
67.05487	0.3
68.99773	0.4
69.03407	0.3
69.07057	0.1
71.04967	0.2
71.62431	0.2
79.05468	0.3
81.03388	0.2
81.07059	0.6
83.04958	0.2
91.05467	0.3
92.02606	2.1
93.03394	2.2
93.07027	0.3
95.04964	0.3
95.08583	0.4
97.02862	0.1
97.06503	0.1
105.06992	0.4
107.08571	0.3
109.02857	0.4
109.06484	0.1
109.10081	0.3
111.00772	0.4
115.38978	0.1
119.08540	0.3
120.02032	0.1
121.02837	1.8
121.10115	0.2
122.03621	0.3
123.04401	0.3
123.08009	0.1
123.11749	0.1
126.03103	0.9
131.04886	0.2
131.08543	0.1
133.02820	0.2
135.07993	0.3
135.11623	0.2
137.02310	0.4
137.05954	0.2
137.13205	0.3
139.03868	1.5
143.08527	0.2
145.06439	0.2
145.10095	0.3
147.04443	0.2
147.11693	0.2
149.09654	0.1
149.13248	0.1
150.03139	0.1
151.03906	1.2
152.00986	0.2
153.01802	14.5
154.02097	0.2
154.82310	0.1
155.04848	0.2
157.10081	0.2
159.11606	0.1
161.05968	0.1
161.09566	0.2
161.13309	0.1
163.03842	0.4
165.01802	1.3
165.05486	0.3
166.02585	0.2
170.02046	0.1
173.05939	0.4
175.03772	0.1
177.01866	0.2
177.05461	0.6
179.03365	0.2
183.02885	0.3
183.04413	0.2
187.03877	0.3
187.08723	0.2
189.05400	0.1
189.39180	0.1
190.02762	0.1
190.06252	0.1
200.04672	0.5
200.35181	0.1
201.05449	1.5
203.03354	1.2
204.04129	0.2
210.05717	0.2
211.03864	0.2
215.08315	0.1
217.04930	2.3
218.02199	0.1
218.05713	1.1
219.02905	0.5
228.04138	2.9
229.04916	6.0
231.02866	0.8
232.03645	0.2
233.04414	0.2
239.03319	0.2
243.06575	0.2
245.04431	2.6
246.05196	2.7
251.16412	0.1
256.03574	0.4
257.04407	4.2
258.05090	0.2
260.03131	0.8
261.07544	0.4
271.05954	0.4
271.10986	0.1
273.03891	2.9
274.04666	6.0
275.05075	0.2
284.03070	0.8
285.03900	7.0
286.04498	0.2
287.01874	0.2
288.06213	0.3
299.05426	0.1
299.19992	0.2
301.03448	0.3
302.04166	19.4
303.04434	0.5
317.06500	100.0
318.06857	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	317.063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.0
56.96540	2.0
57.03401	8.7
61.02919	9.7
69.03415	17.7
70.59850	4.0
70.60223	3.1
71.04967	3.1
72.08116	2.3
73.02869	8.4
81.03391	5.4
83.40437	1.7
84.08078	3.0
85.02888	34.8
86.03183	2.6
86.09667	3.9
87.04436	3.1
97.02869	19.1
98.97560	2.8
99.04404	3.1
101.00853	10.9
103.02420	2.1
109.02847	3.8
113.00810	2.0
115.02355	3.4
116.98599	3.0
119.01896	27.4
121.02797	5.7
127.03898	9.8
131.01883	13.4
133.03415	6.8
136.07547	3.5
137.05788	2.4
137.07877	4.7
138.05438	2.8
143.01828	8.8
145.03439	15.1
145.04874	8.0
146.04948	6.0
147.01338	1.8
147.04951	3.8
149.02924	3.0
154.08531	5.3
155.01790	5.6
155.04404	2.6
155.05505	4.5
155.08907	6.0
156.02744	3.4
157.03462	14.0
159.04953	3.4
161.02913	20.2
161.06653	2.0
162.03032	2.2
163.04454	3.7
167.92979	2.0
169.03448	3.4
171.01303	4.2
171.04980	4.4
173.02928	13.5
173.06464	3.2
175.04427	8.1
177.00801	3.8
178.04785	3.4
183.04994	2.5
185.02826	6.5
187.00716	2.3
187.04448	6.5
189.02379	4.2
189.05968	7.4
191.02051	1.9
199.04446	4.9
201.05954	4.2
203.02338	5.0
203.03934	5.5
207.03459	4.6
211.04399	3.7
214.05772	2.1
215.00217	2.0
215.07581	3.3
219.01805	3.7
221.05020	17.5
223.06509	3.8
225.06073	2.0
227.07658	9.0
233.01250	2.6
235.59181	2.2
236.07991	2.5
237.02721	3.4
245.04948	8.2
251.02344	5.3
257.01352	5.6
257.04977	2.8
259.06622	35.6
265.07263	2.5
272.04263	2.4
273.04346	5.4
277.07526	2.6
279.09140	2.6
285.00793	3.2
291.05710	3.4
291.09158	5.5
293.03293	6.8
294.03720	4.1
317.06345	100.0
317.14017	4.6
335.07904	5.8
337.09415	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2838
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.44142	0.4
55.01858	0.6
55.05260	0.4
55.05502	4.8
56.05026	5.6
57.03419	0.8
57.07068	1.7
60.04514	100.0
61.04845	0.9
65.03950	0.4
65.32037	0.4
67.05491	8.8
68.05007	0.8
69.07056	6.0
69.54103	3.4
70.06583	1.0
71.08620	1.6
72.04509	1.6
74.06060	2.4
79.05475	4.1
80.05005	0.8
81.07034	8.2
82.06567	1.5
83.04932	0.8
83.08603	4.4
85.06544	0.4
85.10161	0.6
86.06044	0.9
87.04453	1.7
90.05528	1.1
91.05453	2.2
93.07040	3.4
94.06564	0.8
95.04901	0.8
95.07300	0.4
95.08594	8.6
96.08157	0.4
97.10149	2.1
105.07017	1.5
107.08562	2.5
109.10123	3.0
112.07593	0.6
119.08574	2.0
121.10150	2.2
122.09666	0.7
123.11665	1.0
133.10089	1.2
135.11702	1.1
137.13246	0.5
147.11685	0.9
153.94769	0.4
211.81891	0.4
212.23633	0.7
233.22546	0.5
245.22607	0.6
250.25150	1.2
256.26367	0.6
262.25339	1.1
268.26315	0.8
280.26300	13.4
281.26620	0.5
292.67352	0.5
298.27335	13.7
299.27686	1.0
316.28400	63.7
317.06415	0.8
317.25064	0.7
317.28711	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.05473	0.4
69.59066	0.7
69.59476	2.3
80.05005	0.7
81.07034	1.1
83.04990	0.6
85.61742	0.3
91.05465	3.5
92.02625	0.5
93.03410	0.5
93.07024	7.7
94.07350	0.4
95.04936	1.3
95.08604	0.7
96.08089	0.4
97.06547	0.4
98.06048	0.4
98.09666	0.7
103.05456	4.3
105.06963	0.4
107.04926	0.7
107.08559	0.6
110.09654	0.6
114.02240	0.4
119.08575	0.6
121.06478	68.7
122.06828	1.6
122.09602	0.8
123.11593	0.5
124.11206	0.4
135.11670	0.4
136.07545	0.5
136.11180	2.1
150.12706	1.3
152.14311	28.4
152.48550	0.4
153.01773	4.4
153.14711	0.6
196.15428	0.3
196.16893	2.1
200.10631	2.2
201.05321	0.5
217.04884	0.7
218.05800	0.5
218.11725	3.2
218.15186	0.6
228.04114	1.0
229.04932	2.2
242.15295	1.2
245.04385	0.9
246.05209	1.2
257.04468	1.0
271.20123	0.4
272.20032	85.9
273.03882	0.9
273.20349	4.5
274.04633	1.6
284.10052	0.4
285.03931	2.0
302.04196	6.3
316.22650	100.0
317.06494	32.0
317.09470	0.5
317.23047	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	316.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05501	4.8
56.05032	4.2
57.03428	1.0
57.07063	2.2
57.45382	0.4
58.02953	0.4
60.04516	100.0
61.04852	0.9
65.82079	0.4
66.30119	0.3
67.05494	8.4
68.05013	0.8
69.07058	6.1
69.53822	2.1
69.54243	1.0
70.06582	1.0
71.04981	0.5
71.08618	1.2
72.04502	2.0
74.06075	1.9
79.05480	3.6
80.05002	0.9
81.07045	8.5
82.06577	1.7
83.04967	0.8
83.08612	3.7
86.06059	0.8
87.04454	2.5
88.07593	0.6
90.05551	0.9
91.05476	2.9
93.07022	3.3
95.04992	0.9
95.08591	8.0
96.08161	0.5
97.06517	0.9
97.10160	2.4
98.20705	0.7
100.07626	0.7
102.09184	0.5
105.07008	2.6
107.08578	2.4
108.08121	0.4
109.06512	0.5
109.10140	3.9
111.08050	0.5
111.11718	0.9
112.07583	0.7
116.07119	0.6
119.08558	2.2
121.10129	1.7
123.08047	0.7
123.11707	1.4
126.51869	0.5
133.10069	1.8
135.11665	1.2
137.09605	0.7
137.13266	0.8
140.33011	0.4
145.10080	0.8
147.11646	0.9
149.13228	0.4
157.10231	0.4
159.11652	0.8
171.11630	0.4
173.13158	0.4
212.23793	0.8
217.19273	0.4
239.23773	0.6
245.22635	1.4
250.25223	0.9
256.26324	1.1
262.25290	1.0
263.23724	0.6
268.26389	1.0
280.26331	12.0
281.26736	0.7
292.67554	1.3
293.17502	0.6
298.27368	14.7
299.27814	0.9
316.28418	61.1
317.06387	0.8
317.21030	1.6
317.24915	0.5
317.28720	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	316.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.9
69.03408	0.5
70.06557	0.3
71.62148	0.3
71.62538	0.3
79.05457	0.3
81.07034	1.4
82.06597	0.3
83.08595	0.3
84.08124	0.3
85.02914	0.8
91.05440	0.3
93.07049	0.3
95.08567	0.4
97.02839	0.5
97.05227	0.3
98.06063	0.4
98.09656	0.4
101.06033	0.3
108.08154	0.4
109.02839	0.3
109.06497	1.0
110.06027	0.7
111.06822	0.4
119.04905	0.3
119.08531	0.3
121.06483	0.3
124.07558	0.5
126.09140	0.8
137.05923	0.5
138.05501	0.3
138.09123	0.4
139.06264	0.8
154.08601	100.0
155.08920	1.4
165.05457	0.3
168.69301	0.3
179.06989	0.4
204.64723	0.3
299.09933	0.3
316.13782	0.6
317.10989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2314
Annotation	Dehydroabietic acid methyl ester
Peak:m/z	Relative Intensity
53.03925	0.9
55.01862	0.8
55.05500	7.6
57.07058	2.2
59.04992	0.7
60.27655	0.6
62.55492	0.6
65.03923	0.8
67.05165	1.0
67.05495	14.7
67.60162	0.6
69.07056	7.2
71.04971	0.9
71.62711	0.9
79.05480	14.5
81.07047	33.4
82.07382	0.9
83.04977	1.5
83.08604	5.3
85.06562	1.0
91.05468	19.5
93.07030	24.3
95.04946	2.7
95.08593	21.3
96.78893	0.6
97.06496	1.3
97.10126	1.0
103.05422	1.3
105.07012	27.7
106.07305	0.9
107.04928	1.0
107.08580	19.2
109.06493	2.4
109.09438	1.1
109.10143	13.3
111.08071	1.1
115.05439	1.7
117.07002	12.8
118.07247	0.5
119.08568	19.7
120.08849	0.9
121.06467	3.3
121.09299	1.2
121.10130	18.0
123.08035	1.7
123.11687	8.4
125.06009	1.3
125.09615	1.4
128.06201	1.4
129.07004	6.8
129.42963	0.8
130.07744	1.1
131.08549	22.3
132.08897	0.9
133.10110	33.6
134.10457	0.9
135.08049	2.0
135.11671	19.0
137.09610	1.6
137.13220	7.0
139.07498	1.8
139.11150	0.6
141.06969	1.4
142.07755	1.3
143.08548	12.8
144.09297	1.7
145.06456	1.2
145.10104	21.2
146.10460	0.7
147.11664	13.0
149.05992	0.8
149.09618	1.6
149.13231	5.4
151.07559	0.7
151.11081	0.7
153.09091	0.8
153.12695	1.5
155.08545	4.3
156.09326	0.9
157.10100	12.4
158.10593	0.8
159.08014	1.4
159.11668	26.8
160.12029	1.2
161.09584	1.0
161.13231	10.3
163.07513	1.5
163.11147	3.0
163.14778	2.0
165.09084	1.0
165.12759	0.9
167.08469	0.8
167.10661	1.8
169.10097	3.2
170.10817	0.8
171.11653	10.6
173.09596	2.2
173.11720	1.4
173.13229	20.1
174.13594	0.8
175.11160	1.4
175.14799	2.7
177.09138	1.5
179.10652	1.4
179.14287	1.3
181.10072	1.6
181.12213	10.0
183.11665	5.0
185.09636	0.6
185.13237	21.7
186.13663	1.2
187.11159	1.4
187.14798	7.1
189.12708	1.0
189.16379	2.0
191.10669	1.7
193.12199	1.3
195.11665	1.7
195.13774	0.9
197.13245	4.7
198.14035	1.6
199.14781	14.6
201.12639	1.1
201.16365	2.7
203.10675	0.8
203.14296	1.3
205.12225	3.3
207.13844	3.0
209.13268	1.8
211.14774	2.0
213.12874	0.9
213.16357	9.9
215.14218	0.8
215.17931	1.8
217.12276	1.0
217.15918	0.8
219.13734	1.8
221.15343	1.3
223.14847	1.5
225.16432	1.0
227.14375	1.3
227.17931	3.3
231.13754	2.7
233.15358	1.8
237.16287	1.1
239.17947	1.5
241.15910	0.9
241.19603	0.9
245.15271	5.1
249.18582	1.2
253.19423	4.9
255.21043	41.0
256.21423	2.6
257.18982	1.0
258.16425	0.7
259.17032	3.0
269.19373	0.6
269.22562	3.4
273.18439	1.8
273.22040	1.8
279.21027	6.8
297.18738	0.8
297.22070	16.8
298.22302	1.3
300.06543	0.7
315.23135	100.0
316.23450	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	315.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67928	0.8
53.03938	1.4
55.01845	1.5
55.05304	0.8
55.05502	8.0
57.07079	1.0
63.47398	0.9
65.03927	2.0
67.05493	16.0
68.99754	1.0
69.03424	5.7
69.07057	7.1
69.74606	2.2
69.75014	3.9
79.05478	11.8
81.03397	2.0
81.07048	40.6
83.04984	5.3
83.08594	3.5
83.97668	0.8
85.02869	1.2
85.06499	1.7
87.75021	0.9
91.05470	28.4
93.07031	21.3
95.04943	2.9
95.08598	20.3
97.06503	10.2
97.10151	1.9
97.56018	0.9
98.21412	1.3
99.04427	1.3
105.07018	47.3
106.07316	1.0
107.04932	2.3
107.08574	17.6
109.02856	2.1
109.06499	4.2
109.10148	11.7
111.08038	2.7
115.05458	1.1
117.06993	10.5
119.04915	3.1
119.08564	26.5
121.06499	2.6
121.10115	11.1
122.47457	0.8
123.04436	1.0
123.08072	5.5
123.11659	5.7
125.09605	0.9
128.06160	1.5
129.06989	5.2
130.07709	1.5
131.07568	1.8
131.08551	33.7
132.08958	1.0
133.10114	100.0
134.01527	0.9
134.10423	3.3
135.04382	2.5
135.08043	7.4
135.11681	11.7
137.09607	6.0
137.13225	1.7
141.06956	1.8
142.07730	3.4
143.08562	12.5
144.09360	1.7
145.10103	23.1
146.10477	1.1
147.04381	14.8
147.08040	1.1
147.11664	13.2
149.09598	3.6
149.13310	4.2
151.03874	4.1
151.11145	13.2
155.08540	9.4
156.09360	1.2
157.10107	28.3
158.10550	1.1
159.11678	28.2
160.12016	1.5
161.05927	2.4
161.09595	2.2
161.13245	13.3
163.03880	3.7
163.11159	11.6
163.14832	1.7
165.12709	2.1
167.08537	1.2
168.09192	1.2
169.04903	4.5
169.10118	7.4
171.11664	13.9
173.09637	3.2
173.13228	9.6
175.11143	5.5
175.14758	2.2
177.12738	5.5
179.14369	1.4
181.10107	4.6
183.11642	9.1
184.12289	0.9
185.13208	9.6
187.11130	2.6
187.14769	5.2
189.12732	2.2
191.01625	1.5
191.03366	27.1
191.14325	1.1
195.02823	2.6
195.11687	4.0
196.12468	2.6
197.13211	4.8
199.14832	6.3
201.12677	1.6
201.16379	1.3
203.14352	1.1
209.13322	4.8
211.14743	6.5
213.16368	31.3
214.16693	2.2
215.14328	2.3
217.15924	2.1
223.14877	6.6
225.16348	13.9
227.17813	1.5
229.15833	6.5
231.17390	12.7
237.16353	3.3
239.17876	3.0
241.15816	3.1
241.19505	2.1
243.17442	1.3
249.16377	0.9
251.17902	1.0
253.19366	1.1
255.17366	8.8
255.20967	2.7
257.18979	1.3
269.19168	1.0
269.22635	3.0
279.21027	21.4
280.21518	2.0
283.09656	2.8
297.22089	95.6
298.22379	5.7
315.05115	1.0
315.08768	2.1
315.12360	2.0
315.23138	61.9
316.23373	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2311
Annotation	Dehydroabietic acid methyl ester
Peak:m/z	Relative Intensity
53.03931	1.4
55.05500	2.7
57.07049	0.4
58.61924	0.3
60.04497	1.3
67.05488	3.9
69.03406	0.9
69.07067	1.8
71.04975	0.4
71.62875	0.4
71.63264	0.4
79.05055	0.4
79.05476	3.6
81.06572	0.4
81.07040	6.5
83.04944	0.4
83.08591	0.9
85.06516	0.8
91.05463	9.6
93.06459	0.7
93.07024	8.7
95.04937	2.4
95.08038	0.5
95.08583	5.8
96.08949	0.3
97.06512	1.1
97.10138	0.4
100.06132	0.3
101.87025	0.3
103.05455	0.5
105.04502	0.4
105.07013	7.6
107.08575	5.7
109.06501	1.2
109.10130	2.9
111.08066	4.6
113.09631	2.2
117.06989	2.5
119.08565	7.0
120.08840	0.3
121.06463	0.9
121.10113	4.2
123.08025	1.0
123.11652	1.0
125.09605	0.6
128.06212	0.4
129.06987	3.0
130.07765	0.6
131.08534	4.6
133.06392	0.5
133.10110	6.6
135.08040	1.1
135.11684	1.8
137.09581	1.9
141.06984	0.5
142.07700	1.6
143.08539	5.1
144.09384	0.8
145.10091	6.8
147.08008	0.5
147.11653	3.3
149.09550	0.8
149.13235	0.9
151.11186	0.4
155.08505	2.0
156.09341	0.8
157.10100	8.2
158.10686	0.4
159.11685	6.2
161.09573	0.6
161.13257	1.9
163.11148	1.0
165.07021	0.4
167.08495	0.7
168.09276	0.7
169.10098	1.8
170.10916	0.5
171.11678	4.5
172.12047	0.4
173.13251	2.0
175.11191	1.6
175.14799	0.5
177.12735	0.6
179.08557	1.0
180.09282	0.4
181.10115	1.9
182.10834	0.8
183.11662	2.8
184.12476	0.5
185.13220	6.0
186.13937	1.0
187.14796	1.5
189.12747	1.1
193.10094	0.8
194.10936	0.8
195.11658	1.9
197.13170	1.7
199.14789	1.5
201.12772	0.6
201.16437	0.5
203.14268	0.9
209.13235	3.1
210.13800	0.4
211.14793	2.5
213.16331	2.1
215.14305	0.4
221.13164	0.4
222.13988	0.7
223.14766	2.1
224.15598	0.5
225.16444	0.7
227.14174	0.4
227.17952	0.5
229.15945	0.6
235.14816	0.9
237.16365	1.8
238.16913	0.4
239.17958	0.6
241.15781	0.4
249.16498	0.8
250.17152	0.9
251.17773	0.4
253.19527	0.5
255.17128	0.3
255.21045	0.5
264.18683	0.9
269.22482	0.5
279.20975	2.7
297.18835	0.6
297.22073	1.7
299.11063	0.4
315.23132	100.0
316.23505	7.6
316.28214	0.9
316.32071	1.3
332.25909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2312
Annotation	16,17-Didehydropregnenolone
Peak:m/z	Relative Intensity
55.05504	5.6
59.06263	1.0
60.33602	0.8
67.05492	11.2
69.03412	4.9
69.07056	4.6
70.22205	4.4
79.05486	11.7
79.77309	1.0
81.03353	1.3
81.07037	24.2
82.07357	1.0
83.04966	1.4
83.08596	4.6
85.02854	1.1
91.04952	1.6
91.05464	14.6
92.05799	0.9
93.06473	1.3
93.07031	21.0
95.04945	2.2
95.08590	19.0
97.06516	3.3
105.07014	28.6
107.08582	19.4
109.05769	2.0
109.06493	26.2
109.10139	13.4
110.06816	1.2
111.08052	2.5
115.05450	1.1
117.07002	6.3
119.04914	1.4
119.08556	18.8
121.06475	6.6
121.10121	11.8
123.08031	8.6
123.11668	2.4
127.26695	0.9
128.06223	1.6
129.06982	3.4
131.08545	20.9
133.06476	1.3
133.10104	27.7
135.08035	14.6
135.11661	13.2
137.09561	2.9
137.13133	1.4
137.32365	0.9
139.61714	1.0
141.06999	1.9
142.07759	1.7
143.08557	6.4
145.10098	16.7
145.11142	1.6
147.04396	6.9
147.08008	2.3
147.11664	16.6
148.11899	1.0
149.09584	8.5
149.13252	5.6
151.11128	4.6
155.08504	5.6
157.10112	11.8
159.08025	1.5
159.11665	23.8
160.11964	1.4
161.09604	3.3
161.13226	18.8
163.02449	0.9
163.11166	5.7
163.14792	2.9
165.12695	1.0
169.04857	2.0
169.10121	3.8
171.11720	7.9
173.09592	1.4
173.13234	10.3
173.78140	0.9
175.11166	4.0
175.14764	4.8
177.12752	5.4
177.16383	1.0
177.76492	1.0
178.03973	1.0
179.14056	1.0
181.09995	1.3
183.11653	4.7
185.13248	8.7
187.11185	2.6
187.14783	10.9
189.12694	9.7
191.14281	1.3
195.02917	1.0
195.08290	1.0
195.11703	2.2
197.13182	5.2
199.14775	5.3
201.12775	2.9
201.16364	2.2
203.14287	1.7
209.13202	1.3
211.14771	3.4
213.16368	8.7
215.14247	5.8
215.17969	1.3
217.15855	1.8
218.15292	1.3
223.14792	3.4
225.16364	4.6
227.17905	2.3
229.15889	3.4
231.17371	1.1
237.16330	2.7
239.17873	1.9
241.15674	1.4
241.19542	2.1
253.19519	7.8
255.17525	1.5
255.21022	1.9
263.18124	1.0
269.22589	5.4
271.20508	100.0
272.20825	7.9
273.22125	0.9
279.21011	13.9
297.22070	94.8
298.22458	6.7
315.12357	1.8
315.19824	1.7
315.23123	46.5
316.23273	3.3
328.89487	1.1
335.28827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2315
Annotation	16,17-Didehydropregnenolone
Peak:m/z	Relative Intensity
51.67928	0.8
53.03938	1.4
55.01845	1.5
55.05304	0.8
55.05502	8.0
57.07079	1.0
63.47398	0.9
65.03927	2.0
67.05493	16.0
68.99754	1.0
69.03424	5.7
69.07057	7.1
69.74606	2.2
69.75014	3.9
79.05478	11.8
81.03397	2.0
81.07048	40.6
83.04984	5.3
83.08594	3.5
83.97668	0.8
85.02869	1.2
85.06499	1.7
87.75021	0.9
91.05470	28.4
93.07031	21.3
95.04943	2.9
95.08598	20.3
97.06503	10.2
97.10151	1.9
97.56018	0.9
98.21412	1.3
99.04427	1.3
105.07018	47.3
106.07316	1.0
107.04932	2.3
107.08574	17.6
109.02856	2.1
109.06499	4.2
109.10148	11.7
111.08038	2.7
115.05458	1.1
117.06993	10.5
119.04915	3.1
119.08564	26.5
121.06499	2.6
121.10115	11.1
122.47457	0.8
123.04436	1.0
123.08072	5.5
123.11659	5.7
125.09605	0.9
128.06160	1.5
129.06989	5.2
130.07709	1.5
131.07568	1.8
131.08551	33.7
132.08958	1.0
133.10114	100.0
134.01527	0.9
134.10423	3.3
135.04382	2.5
135.08043	7.4
135.11681	11.7
137.09607	6.0
137.13225	1.7
141.06956	1.8
142.07730	3.4
143.08562	12.5
144.09360	1.7
145.10103	23.1
146.10477	1.1
147.04381	14.8
147.08040	1.1
147.11664	13.2
149.09598	3.6
149.13310	4.2
151.03874	4.1
151.11145	13.2
155.08540	9.4
156.09360	1.2
157.10107	28.3
158.10550	1.1
159.11678	28.2
160.12016	1.5
161.05927	2.4
161.09595	2.2
161.13245	13.3
163.03880	3.7
163.11159	11.6
163.14832	1.7
165.12709	2.1
167.08537	1.2
168.09192	1.2
169.04903	4.5
169.10118	7.4
171.11664	13.9
173.09637	3.2
173.13228	9.6
175.11143	5.5
175.14758	2.2
177.12738	5.5
179.14369	1.4
181.10107	4.6
183.11642	9.1
184.12289	0.9
185.13208	9.6
187.11130	2.6
187.14769	5.2
189.12732	2.2
191.01625	1.5
191.03366	27.1
191.14325	1.1
195.02823	2.6
195.11687	4.0
196.12468	2.6
197.13211	4.8
199.14832	6.3
201.12677	1.6
201.16379	1.3
203.14352	1.1
209.13322	4.8
211.14743	6.5
213.16368	31.3
214.16693	2.2
215.14328	2.3
217.15924	2.1
223.14877	6.6
225.16348	13.9
227.17813	1.5
229.15833	6.5
231.17390	12.7
237.16353	3.3
239.17876	3.0
241.15816	3.1
241.19505	2.1
243.17442	1.3
249.16377	0.9
251.17902	1.0
253.19366	1.1
255.17366	8.8
255.20967	2.7
257.18979	1.3
269.19168	1.0
269.22635	3.0
279.21027	21.4
280.21518	2.0
283.09656	2.8
297.22089	95.6
298.22379	5.7
315.05115	1.0
315.08768	2.1
315.12360	2.0
315.23138	61.9
316.23373	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2313
Annotation	16,17-Didehydropregnenolone
Peak:m/z	Relative Intensity
53.03929	0.7
53.35706	0.5
55.05495	6.8
57.03415	0.5
57.07061	0.8
60.88847	0.5
65.03914	0.8
67.05493	13.7
69.03411	3.4
69.07056	4.8
70.21842	1.3
70.22242	0.8
71.04996	0.7
71.15402	0.6
76.70564	0.5
79.05472	10.3
81.07043	34.6
82.07381	0.8
83.04969	4.4
83.08598	3.4
85.06518	1.8
85.23715	0.5
90.97215	0.5
91.05464	22.5
92.05764	0.8
93.07028	19.8
95.04932	1.2
95.08590	18.5
97.06510	10.8
97.10133	1.2
103.05518	0.7
105.07014	43.1
106.07334	1.4
107.04969	0.6
107.07849	0.9
107.08571	17.6
108.08920	0.8
109.06489	4.8
109.10132	11.4
111.08050	2.2
115.05424	1.0
117.06989	8.3
119.08559	22.7
121.06509	1.3
121.10120	11.6
123.08053	4.5
123.11672	3.2
125.09610	0.9
128.06226	1.5
129.06978	6.2
130.07747	1.1
131.08543	29.3
132.08900	1.3
133.10106	100.0
134.10431	4.1
135.08063	6.3
135.11665	17.8
137.09599	4.9
137.13222	1.1
141.06975	2.2
142.07774	3.3
143.08539	11.9
144.09267	1.8
145.06355	0.6
145.10097	22.4
146.10449	0.5
147.08002	1.5
147.11667	12.8
149.09607	3.8
149.13208	4.4
151.11148	11.7
154.07785	0.5
155.08517	8.7
156.09258	1.7
157.10106	25.9
158.10448	1.2
159.11667	28.0
160.11990	0.8
161.09644	3.4
161.11957	1.0
161.13229	12.5
163.11151	10.9
163.14792	2.0
163.19017	0.5
165.12730	1.4
167.08571	1.2
168.09290	0.7
169.10094	6.5
171.11670	14.4
173.09612	2.7
173.13235	9.9
175.11143	4.7
175.14799	2.1
177.12695	5.5
179.14264	1.4
181.10132	3.2
182.10828	0.6
183.11667	8.1
184.12364	1.0
185.13234	7.2
187.11200	2.4
187.14751	5.7
189.12686	2.4
191.14252	0.9
193.10071	0.6
195.02809	0.5
195.11604	2.7
196.12372	1.7
197.13223	5.5
199.14740	5.6
200.15361	0.6
201.12691	2.4
201.16333	2.0
203.14258	1.6
209.13278	4.2
211.14804	5.9
213.16339	29.6
214.16714	1.5
215.14284	2.5
215.17976	0.8
217.15846	1.8
223.14799	5.2
225.16333	15.2
226.16656	0.9
227.14340	1.3
227.17921	1.6
229.15807	6.0
231.17401	11.1
237.16287	3.0
238.16934	0.6
239.17995	2.8
241.15775	1.7
241.19594	0.9
243.17346	1.6
251.17918	0.9
253.19554	1.0
255.17377	7.4
255.20992	2.3
257.19077	1.1
259.20880	0.6
264.18762	0.7
267.84451	0.6
269.18936	1.2
269.22629	3.8
271.20560	1.8
279.21014	16.8
280.21365	1.0
297.22073	85.9
298.22385	8.2
315.23135	61.4
316.23462	5.5
318.10544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01856	5.9
55.05502	13.1
57.03431	11.0
57.07058	2.4
59.04974	2.8
61.02917	4.2
66.45869	2.3
67.05493	12.2
69.03420	20.4
69.07046	9.4
70.12469	9.1
71.01363	4.1
71.04982	8.7
73.02907	5.2
73.61368	1.9
79.05485	20.7
81.03400	13.4
81.07047	35.6
83.04970	9.1
83.08587	3.1
85.02892	58.0
85.06521	2.7
87.04497	2.8
91.05476	20.1
93.07030	89.9
95.04967	9.0
95.08595	37.9
97.02874	18.2
97.06522	7.5
99.04437	7.2
103.03938	7.1
105.07014	27.8
107.04938	2.8
107.08578	100.0
109.02859	6.2
109.06525	10.2
109.10137	12.6
111.04441	3.6
111.08064	2.9
115.03884	2.5
117.07008	3.5
119.08574	19.1
121.06503	1.9
121.10130	8.2
123.04417	3.8
123.08057	5.4
123.11773	2.0
125.09657	2.3
125.13281	2.3
127.03907	11.9
129.06995	2.8
130.07747	3.0
131.08545	10.9
133.04948	8.3
133.10124	11.7
135.08009	3.8
135.11668	84.3
136.12053	2.3
137.09567	3.3
137.13252	7.6
139.07544	1.8
141.05449	2.9
142.07831	1.9
143.08539	6.7
145.04938	9.3
145.06517	2.4
145.09048	2.0
145.10075	12.6
147.08000	3.5
147.11671	12.4
149.09627	3.7
149.13257	4.6
151.07402	2.1
151.11150	6.7
153.12724	26.1
155.08459	3.4
157.10114	10.3
159.08044	2.4
159.11679	8.6
161.09535	2.5
163.11171	7.7
165.12732	33.6
169.10121	3.1
171.11697	4.1
173.09561	3.7
173.13312	3.4
175.11217	4.2
177.12686	7.8
181.12206	3.8
183.11609	2.8
189.12749	6.8
193.12244	5.3
197.13199	2.0
201.12715	5.7
205.12315	2.8
207.13799	3.3
215.14175	3.9
219.13812	6.7
231.13808	6.8
243.13774	7.2
249.14862	2.6
261.14777	18.7
279.15814	14.9
282.70352	2.1
283.09595	2.2
293.78180	2.0
297.16925	14.5
315.08499	2.7
315.17847	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	315.195
Annotation	15-Hydroxy-6-en-dehydroabietic acid
Peak:m/z	Relative Intensity
53.14635	0.6
55.05439	1.3
57.03380	0.5
57.07016	0.8
67.05409	2.4
69.06987	1.6
69.36005	3.6
69.36430	2.2
71.04916	0.6
71.31697	0.6
72.47171	0.5
79.05396	4.5
81.06957	9.7
81.07462	0.8
91.05444	4.6
93.06936	5.8
94.04196	0.6
95.04887	0.9
95.08607	4.3
97.06448	1.2
103.05383	0.7
103.21146	0.5
105.07020	12.2
107.08586	8.4
109.06441	0.6
109.10128	3.2
117.06995	3.4
119.08570	4.4
121.06453	1.4
121.10040	2.5
123.07999	1.0
128.06117	1.9
129.06999	7.3
129.20789	0.7
130.07663	1.0
131.08549	7.4
133.10110	4.2
135.11583	1.4
141.06967	5.4
142.07770	4.2
143.07520	0.7
143.08536	11.2
145.09053	0.6
145.10098	9.0
147.11577	2.8
147.36575	0.6
149.05916	1.4
153.06857	1.8
155.07390	0.9
155.08531	13.9
156.09300	3.7
157.10117	11.3
158.38509	0.6
159.11661	4.2
159.38895	0.6
161.09608	0.8
163.07478	1.0
165.06953	1.3
166.07756	1.5
167.08546	8.3
168.09128	1.9
169.10118	9.3
170.10765	1.3
171.07883	0.8
171.11681	7.6
173.09578	0.8
173.13182	1.1
175.11118	0.7
179.08459	1.8
180.09309	3.0
181.10092	10.5
182.10808	2.6
183.11670	14.3
184.12234	1.5
185.09575	1.4
185.13242	13.7
186.13637	0.6
187.11044	0.8
187.14798	1.0
193.10036	1.3
194.10799	1.6
195.09892	1.2
195.11667	21.3
196.12285	2.0
197.09512	0.8
197.11438	1.2
197.13229	22.9
198.14000	11.6
199.11096	1.6
199.14745	5.3
200.97179	0.6
201.09084	1.4
203.10606	1.6
207.11612	0.9
208.12375	1.7
209.13229	8.3
211.14845	3.0
213.12653	1.5
213.16135	0.7
215.14218	0.6
221.13231	3.3
222.13986	1.7
223.11296	4.0
223.14771	14.1
224.15578	3.1
225.16396	3.3
227.10597	1.7
227.17934	0.8
236.15480	1.2
237.16383	2.9
239.14122	1.0
239.18050	0.6
241.12259	4.2
241.15918	3.6
241.19481	1.1
246.73277	0.6
249.16428	0.6
251.17931	31.7
252.18533	2.3
253.19476	19.2
254.19749	0.8
255.13774	2.2
261.16309	1.3
269.15527	1.2
269.18945	13.7
269.22009	0.5
271.16928	8.0
271.19934	1.0
279.17416	7.0
297.18457	100.0
298.18845	4.1
315.19522	52.8
315.22818	2.2
315.34351	3.9
316.19940	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.2
55.01869	26.0
55.05502	45.8
57.03424	31.9
59.04983	7.5
61.02911	18.9
67.05485	20.9
69.03419	40.7
69.07053	20.1
71.01311	4.6
71.04980	67.2
71.08427	3.7
71.62431	6.8
73.02906	26.3
79.05476	34.2
81.03412	22.7
81.07049	55.0
83.04970	13.7
83.08594	8.5
85.02891	86.6
85.06539	4.6
87.04460	6.2
91.05453	43.8
93.07026	59.3
95.04949	25.1
95.08595	30.1
97.02872	30.2
97.06520	13.4
99.04450	8.6
103.03929	10.5
105.07016	63.7
107.04944	15.1
107.08574	80.2
108.08083	4.3
109.02877	9.9
109.06502	37.1
109.10133	39.4
111.04424	11.5
111.08083	12.0
115.03182	4.4
115.03932	17.0
117.07016	20.8
118.06535	5.8
119.04924	7.4
119.07343	24.3
119.08565	57.4
120.40520	4.4
121.06467	18.9
121.10099	18.2
123.04388	19.2
123.08041	21.2
123.11702	5.3
124.07584	32.7
125.09637	11.6
126.09148	6.4
127.03859	8.8
127.11156	10.6
128.06201	6.2
129.05446	9.9
129.06999	9.6
129.09096	6.2
130.07768	4.4
131.04897	7.2
131.08554	32.9
133.04955	35.1
133.06500	13.3
133.10135	17.8
135.04407	5.6
135.08025	16.8
135.11649	33.9
136.07579	6.5
137.05939	11.5
137.09595	17.1
137.13289	3.7
138.09135	14.6
139.03925	7.1
139.11172	3.8
142.07774	4.5
143.08508	12.8
145.04991	4.8
145.06462	9.9
145.10075	31.5
147.04401	7.0
147.08026	35.8
147.11642	12.8
149.05984	5.4
149.09589	12.8
151.07491	6.6
151.11186	12.6
152.07048	7.7
153.07433	5.7
153.09105	11.9
153.12680	20.4
154.08609	69.9
155.08565	7.6
157.10075	6.8
159.07983	10.0
159.11676	14.2
161.05939	4.7
161.09576	10.4
161.13252	7.5
163.03853	11.0
163.07468	8.0
163.11160	13.4
165.05527	5.6
165.09042	5.2
165.12727	100.0
169.10115	3.9
171.07991	7.1
173.08212	5.7
173.09579	31.3
173.13217	15.3
175.07512	9.1
175.11143	4.6
177.12666	24.0
183.11769	6.2
185.13220	5.4
187.11192	6.1
189.12733	15.1
191.10678	8.6
191.14137	3.9
193.08597	5.8
195.08038	7.5
195.13785	6.7
201.12645	8.9
203.10599	4.7
205.12204	4.7
207.13811	13.7
208.05217	7.2
215.14355	6.3
219.13771	18.3
223.07553	5.3
231.13760	9.5
237.14792	5.9
243.13821	9.3
255.10043	5.5
261.14847	23.8
262.10501	4.6
265.08542	5.0
269.08157	5.4
269.12839	11.7
279.15878	15.6
283.09595	13.4
297.17108	15.5
315.08734	14.6
315.13794	21.3
315.18033	24.0
316.13837	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.6
55.01860	3.6
55.05499	11.4
57.03426	7.8
57.07055	2.4
59.04961	2.7
60.75362	1.3
61.02898	4.8
64.69447	1.4
67.05495	15.7
69.03419	18.6
69.07051	12.4
71.01331	2.4
71.04965	6.4
71.61943	3.4
73.02892	3.7
75.04448	1.6
79.05483	17.8
81.03410	11.9
81.07043	33.3
83.04964	13.1
83.08593	4.7
85.02893	39.7
85.06503	4.4
91.05466	24.1
93.07027	85.9
95.04958	12.6
95.08591	41.5
97.02865	12.8
97.06502	11.2
99.04405	4.3
99.76745	1.6
103.03899	3.6
105.07025	23.9
107.04939	5.3
107.08578	100.0
108.08916	1.5
109.02841	5.6
109.06498	9.2
109.10137	13.2
111.04441	3.6
111.08078	3.3
113.68346	1.5
115.03905	2.9
117.06980	3.2
119.06040	1.5
119.08581	14.5
121.06458	4.8
121.10127	7.8
122.51292	1.4
123.04353	5.1
123.08028	4.7
123.11625	2.9
125.09606	2.7
127.03871	7.0
128.06197	2.1
129.06932	2.0
131.08536	6.5
133.04926	5.4
133.06467	3.9
133.10086	8.6
135.08023	5.9
135.11667	81.5
137.05971	3.4
137.09581	2.6
137.13246	8.6
141.05496	2.5
141.07013	1.5
143.08545	5.4
145.04938	3.3
145.10107	9.1
147.04327	3.2
147.08011	3.4
147.11662	11.8
149.09618	3.8
149.13240	2.8
151.07515	2.7
151.11153	6.5
153.09073	2.0
153.12715	22.4
157.10027	3.5
159.11703	7.5
161.05908	2.6
161.09566	4.6
161.13231	3.8
163.11143	5.3
165.09103	1.9
165.12720	20.6
167.08444	1.7
169.10104	1.7
171.11659	3.6
173.09660	2.5
173.13269	2.2
175.11110	4.6
177.12694	5.0
181.12315	2.2
183.11710	3.0
189.12785	2.5
191.03409	1.8
193.12250	3.9
195.07959	1.7
197.13153	2.4
201.12701	3.8
207.13725	3.3
208.05170	4.1
212.08173	2.0
215.14166	2.1
219.13757	5.2
225.12689	2.3
231.13760	5.9
240.07820	2.2
243.13719	3.3
261.14816	9.5
269.08078	3.7
279.15808	9.5
283.09546	9.7
297.16766	7.8
315.05026	2.2
315.08463	3.7
315.12320	5.7
315.17917	11.2
315.22958	2.0
316.12418	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
55.01854	1.2
55.05500	1.4
57.03426	4.9
57.07056	1.0
59.04987	0.9
61.02914	4.7
62.06065	0.7
67.05486	2.0
69.03414	8.4
70.06570	2.3
71.04980	12.0
71.63764	0.9
73.02905	3.6
75.04471	0.7
79.05478	0.7
81.03400	4.5
81.07029	1.1
83.04980	0.8
85.02891	27.9
85.06551	0.8
87.04443	2.0
89.06014	100.0
90.06362	0.6
91.03946	1.9
95.06074	1.8
97.02873	14.3
97.03496	1.0
98.16514	0.5
98.97578	1.1
99.04415	3.9
99.08071	2.7
101.00846	0.6
106.02875	0.6
106.06525	0.8
107.04928	0.9
108.08097	11.9
108.08736	0.5
109.02875	3.3
112.07584	1.1
115.03922	0.6
116.07066	1.0
116.98623	0.6
117.05454	3.9
117.09127	2.0
119.01897	2.0
119.04932	0.5
120.41862	0.5
121.06524	1.4
123.06811	0.8
124.07597	1.5
127.03905	5.7
130.08597	1.3
131.01880	0.7
134.05981	1.7
134.09631	4.3
135.04369	1.6
135.06506	45.8
135.10138	1.4
136.06169	13.9
136.07593	3.3
143.01881	5.2
145.03618	1.0
145.04924	6.4
147.04379	1.7
152.07045	7.5
152.09169	1.4
152.10681	6.1
153.05421	0.8
155.01852	1.4
157.03383	0.9
158.99774	0.6
161.02928	7.4
162.03136	0.6
162.04364	0.7
163.03934	1.3
164.05652	0.6
164.06940	0.6
167.06941	0.7
173.02953	1.3
175.04547	0.6
176.07593	0.7
180.08739	0.6
182.06183	0.7
182.07874	1.9
183.05075	1.2
185.03018	0.9
185.06506	0.7
188.07654	1.6
190.04984	1.4
197.06711	0.8
199.12082	0.6
203.04001	2.3
211.14503	1.5
212.07584	1.0
221.05066	1.5
245.04997	1.5
270.21707	1.0
273.08038	0.8
287.09680	2.7
291.09378	0.9
293.10696	0.6
298.10849	0.8
305.08746	0.9
314.09058	0.9
314.12341	13.8
314.15881	2.2
315.09625	0.9
333.10422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
57.03407	0.7
57.21729	0.6
61.02905	1.2
69.03413	3.2
70.06570	0.5
71.32300	1.1
71.32689	0.6
72.08115	0.6
73.06541	48.7
74.06857	0.5
74.91265	0.6
81.03407	1.2
85.02888	9.6
86.95415	0.5
87.04419	0.9
87.11056	0.6
89.06013	20.8
96.09938	0.5
97.02879	3.1
98.97523	0.5
99.04432	0.7
105.03371	0.6
105.46279	0.5
109.02882	0.6
117.09116	4.3
120.67774	0.6
121.02853	1.0
127.03885	1.6
135.10139	100.0
136.10481	2.3
145.04939	2.4
152.01559	2.6
152.07034	1.4
161.04558	0.5
161.05943	1.0
252.86697	0.5
283.09552	1.3
314.13806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1065
Annotation	Bungeiside A
Peak:m/z	Relative Intensity
50.36284	0.3
51.02364	0.3
53.03933	1.9
55.01858	2.5
57.03429	5.9
59.04988	3.2
60.05316	0.8
61.02915	8.7
61.53522	0.3
63.68266	0.3
69.03416	18.1
69.62069	2.4
70.03751	0.4
70.06583	0.7
71.01319	0.4
71.04981	2.2
73.02903	4.7
73.19670	0.3
75.34669	0.3
79.04156	0.3
79.05480	12.2
81.03408	6.9
81.07079	0.4
83.01318	0.7
85.02888	100.0
86.03224	1.3
87.04451	3.1
91.03938	6.4
93.07036	0.4
95.04963	0.9
97.02874	23.1
98.03213	0.5
98.21427	0.7
99.04427	3.3
101.02330	1.5
103.03886	0.8
103.06455	0.3
105.03362	0.6
107.04937	12.8
109.02858	8.3
115.03934	0.8
118.09431	0.5
123.04455	0.4
127.03891	22.6
135.04390	35.9
135.10146	0.6
136.04741	1.0
136.07526	0.3
136.10495	0.9
145.04932	28.2
146.05302	0.9
151.03894	2.6
152.01721	0.3
153.05312	1.2
154.04898	0.4
154.08620	0.6
161.05998	0.7
163.03877	0.8
163.05968	4.1
185.04272	0.4
251.09320	0.4
255.10144	0.4
283.09579	0.7
290.82117	0.3
315.10425	25.9
316.10831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01863	1.5
55.05497	1.1
56.96547	0.9
57.03426	4.3
57.07058	1.0
59.04984	1.5
61.01141	0.6
61.02918	4.8
62.06084	3.0
65.03938	0.8
67.05495	2.7
69.03069	0.8
69.03419	13.3
69.07056	0.8
69.51057	2.2
69.51486	1.0
69.70889	0.4
70.06577	2.4
71.04987	5.0
72.08141	0.9
73.02903	5.3
73.06532	0.9
75.04467	0.7
79.05469	1.2
81.03403	4.9
81.07038	2.1
83.04958	0.9
84.04489	0.7
84.08119	1.1
85.02889	26.2
85.06530	0.9
86.03220	0.7
86.09668	0.5
87.04447	2.9
89.03895	0.9
89.06014	16.8
91.03941	2.2
91.05455	1.3
92.04999	1.4
93.05788	1.0
93.07030	0.7
94.06561	0.9
95.04948	1.2
95.06068	1.2
95.08601	0.5
96.08101	0.6
96.66623	0.4
97.02875	50.6
97.06517	0.6
98.03244	0.7
98.97562	2.6
99.04438	3.4
99.08084	4.8
101.00863	0.9
101.02309	0.5
101.05978	0.4
103.03925	1.4
105.07030	0.5
106.06544	2.7
107.04944	1.1
108.04346	0.4
108.08098	55.8
109.02856	2.9
109.06525	0.5
110.06025	0.6
110.07204	0.4
111.04453	0.6
112.07587	1.3
113.00854	0.6
115.02449	0.6
115.03922	1.1
115.08675	0.6
116.07076	1.3
116.98607	1.5
117.05479	8.6
117.09122	3.7
118.07349	0.4
119.01901	3.4
119.03519	0.5
119.04940	0.8
120.01991	0.6
121.01601	0.5
121.02849	1.2
121.06487	2.3
123.04401	0.8
123.06775	5.1
124.03930	0.5
124.07565	7.1
125.02477	0.4
127.03909	6.6
128.04288	0.4
128.98573	0.4
129.05414	0.4
131.01854	2.1
132.01990	0.5
132.10190	0.6
133.03447	0.9
133.04965	0.5
133.10126	0.6
134.06000	7.3
134.08644	0.6
134.09631	12.5
134.99596	0.9
135.04399	1.5
135.05518	0.7
135.06503	10.1
135.10124	1.9
136.06163	100.0
136.07535	13.0
136.11201	1.0
137.02907	0.7
137.04572	0.5
137.05843	0.7
137.08322	1.0
138.05374	0.6
140.07117	0.4
143.00238	0.4
143.01837	5.6
145.03459	2.0
145.04938	4.8
146.04988	0.5
147.04373	0.7
148.06184	0.4
149.06737	0.4
150.05457	0.4
150.09128	0.4
152.05716	1.8
152.07034	37.7
152.10675	21.3
153.07695	0.4
154.08618	1.2
155.01881	1.6
155.05457	0.4
157.03441	1.6
157.04965	0.4
158.99730	0.6
159.04971	0.5
160.06485	1.0
161.01387	0.6
161.02913	8.5
162.03149	0.8
162.05479	1.1
163.02655	0.8
163.03856	4.8
164.05693	4.8
164.06953	0.8
166.08571	0.5
167.07028	1.1
171.05020	1.2
172.99602	0.4
173.01416	0.6
173.02924	3.0
173.06557	0.6
175.04494	1.1
175.08144	0.5
177.00807	1.2
177.05531	0.4
178.07283	1.9
179.03653	2.5
182.06158	1.1
182.07870	2.4
183.04976	1.8
184.05811	0.6
185.02905	1.2
185.06581	1.5
187.04486	0.8
188.03474	0.5
188.07816	0.6
189.02397	0.4
189.06105	0.4
190.04980	1.8
197.00504	0.5
197.03178	0.5
197.06599	0.7
199.04544	0.6
201.06052	0.6
201.09651	0.5
203.03995	2.9
203.05646	0.6
203.07567	1.0
211.14319	0.8
212.07568	0.8
213.06052	0.8
215.07666	0.4
217.03944	0.6
218.04268	0.8
219.01929	1.2
220.02229	0.5
221.05017	2.6
224.05963	0.7
228.06833	0.5
237.02708	0.6
239.04185	0.9
240.07234	0.6
245.05052	1.7
248.07632	0.9
248.99118	0.7
250.09251	0.4
250.94931	0.5
259.06796	0.4
263.06100	0.5
265.07617	1.0
267.00137	0.6
270.21585	0.7
273.08139	1.4
275.09769	1.1
276.10156	0.5
278.07172	0.6
287.09653	1.4
291.09357	0.7
293.10696	3.5
294.10959	0.5
296.08051	3.5
296.10947	0.9
298.10785	1.1
299.11481	0.6
302.06519	0.5
305.08865	1.3
305.59186	0.5
309.08469	0.4
314.09015	10.5
314.12308	58.3
314.15891	8.2
315.09406	1.0
315.12817	0.7
332.99438	0.4
333.10403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2155
Annotation	Longithorone K
Peak:m/z	Relative Intensity
53.03938	0.7
53.11680	0.4
55.05499	4.0
57.07044	0.9
57.64269	0.5
65.03918	1.1
67.05490	12.8
69.03413	5.6
69.07048	5.8
71.04982	0.9
72.08143	0.5
79.05478	8.4
80.90858	0.5
81.07039	31.8
83.04960	1.8
83.08598	2.5
85.06517	2.3
86.20544	0.5
91.05461	15.3
93.07024	17.9
95.04924	1.5
95.05498	0.6
95.08588	16.5
95.74290	0.5
97.06501	3.8
103.05399	0.6
103.49655	0.5
105.07012	24.1
107.08571	27.3
109.06510	4.7
109.10138	8.7
111.08125	1.4
113.15144	0.6
113.82529	0.5
115.05428	1.2
117.06985	7.0
119.08556	18.6
120.08958	0.6
121.06476	1.5
121.10119	11.5
123.08051	3.2
123.11677	2.8
125.09643	0.8
127.07574	0.6
128.06223	1.4
129.06982	7.8
130.07735	1.1
131.08536	16.4
133.10103	14.8
135.08037	4.3
135.11658	4.7
137.05959	0.6
137.09573	1.6
139.07512	1.5
141.06990	2.7
142.07758	5.0
142.50616	0.6
143.08536	15.4
144.09241	0.7
145.06487	0.6
145.10089	21.2
147.08057	1.0
147.11656	12.3
149.09601	4.3
149.13214	1.2
151.07553	1.0
151.11166	1.0
153.07039	0.8
153.09076	3.1
154.07724	1.0
155.08539	9.0
156.09277	2.3
157.10100	26.2
158.10611	0.8
159.08041	1.2
159.11665	19.0
160.12001	0.7
161.09583	2.1
161.13255	6.6
163.07523	1.4
163.11154	1.7
163.14819	0.7
165.06935	0.9
165.09087	2.1
167.08502	1.0
167.10683	3.8
168.09335	1.2
169.10088	10.5
170.10884	1.1
171.07936	1.0
171.11646	17.0
171.13118	0.9
172.12015	0.7
173.09587	3.2
173.13225	6.0
175.11121	2.2
175.14850	0.8
177.09088	1.6
177.12813	0.9
179.08450	0.6
179.10657	0.8
179.14291	0.7
180.09303	1.0
181.10118	2.4
181.12193	1.6
182.10863	1.7
183.11655	12.5
185.09587	1.6
185.13229	12.8
186.13921	0.6
187.11159	1.9
187.14810	1.8
189.09027	0.6
189.12766	0.8
191.10663	1.2
193.10139	0.8
193.12242	0.6
195.11685	5.2
196.12386	1.6
197.13231	9.4
199.11038	1.3
199.14781	7.3
200.15407	1.0
201.09103	0.6
201.12682	2.4
201.16473	0.7
203.10645	2.2
203.14357	0.8
205.12164	2.3
207.11766	0.9
209.13249	3.0
209.59137	0.6
210.13889	0.7
211.11295	1.2
211.14783	14.7
212.15160	1.0
213.12738	2.9
213.16393	2.6
213.18071	0.5
215.14285	1.6
217.12242	1.9
219.13789	1.6
221.13164	1.7
223.14749	3.3
225.12723	1.1
225.16336	4.2
227.14326	0.6
227.17931	1.1
229.12187	1.0
229.15817	4.7
231.13783	5.5
233.13206	0.7
233.15388	0.8
235.14723	2.0
237.16400	1.5
239.14302	1.2
239.17972	1.0
241.15822	1.3
241.19209	0.5
243.13753	2.4
245.15228	1.2
247.16797	0.8
249.16412	0.7
251.17953	4.1
253.15787	1.5
253.19469	25.4
254.19948	1.8
255.17422	1.4
257.15353	3.6
267.21027	6.5
269.18967	11.9
271.16992	2.7
271.20749	0.7
277.19431	4.5
285.18561	1.3
285.22119	0.8
295.20483	23.3
296.20767	1.4
313.21545	100.0
314.13809	0.9
314.21921	4.6
314.86139	0.6
327.16638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1953
Annotation	Spiradine A
Peak:m/z	Relative Intensity
53.03936	1.3
55.05501	0.9
57.03422	1.4
57.07059	0.7
67.05491	0.6
69.07061	0.8
74.77467	0.4
77.42248	0.5
79.05463	0.9
80.04993	0.5
81.07034	0.8
82.06551	1.0
91.05466	8.5
93.07031	16.3
94.06556	2.9
94.07325	0.6
95.04962	2.6
95.08582	0.6
96.08983	0.5
98.21519	0.9
100.41790	0.4
103.05457	9.4
105.04496	0.7
105.07011	0.7
105.83913	0.4
107.04958	2.1
107.07262	0.4
107.08558	0.7
109.10166	0.9
117.07028	0.5
120.05724	0.5
120.07333	0.4
120.08039	2.2
121.06487	100.0
122.06057	0.5
122.06815	2.0
122.09647	3.1
131.62378	0.4
133.06482	0.6
134.09627	2.2
136.11201	6.0
138.09132	1.9
148.11174	2.8
150.09111	5.3
174.12784	0.9
192.13806	11.8
198.09129	1.1
200.10661	0.6
209.11646	0.9
210.11998	1.4
214.12195	1.0
238.11526	1.9
240.13785	0.7
242.15448	2.4
254.15292	0.5
256.16949	1.1
258.14871	1.3
270.14899	5.0
294.18359	0.8
312.19531	86.1
313.19885	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	313.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20042	2.2
53.03930	2.8
55.01866	3.3
57.03419	8.4
58.33779	2.1
61.02928	12.0
67.05498	4.0
69.03414	24.0
71.04975	4.2
71.62044	2.5
71.62479	3.1
71.62857	2.6
73.02895	5.5
74.93317	2.4
79.05486	4.1
81.03407	11.3
81.07027	4.9
84.08116	2.5
85.02889	100.0
87.04449	4.7
91.03926	7.6
91.05448	3.2
93.07014	7.1
95.08585	5.3
97.02872	28.3
99.04438	7.8
105.06998	3.6
107.04950	10.6
107.08572	7.1
109.02857	10.0
109.06515	3.0
109.10118	5.3
116.04960	7.1
117.03358	4.5
121.10112	7.0
123.11672	3.3
123.44272	2.5
125.09675	2.8
127.03888	29.7
132.65289	2.6
144.06468	2.2
145.02904	14.3
145.04933	76.6
151.03900	17.8
151.04919	3.1
151.07535	14.2
151.11096	2.7
163.06013	18.4
163.07312	3.2
177.05457	19.7
180.08730	12.7
191.07269	2.6
193.04936	2.7
309.26730	2.7
311.56528	2.7
313.10739	8.4
313.14078	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	312.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01853	1.9
55.05489	0.9
55.57092	0.3
56.96547	0.7
57.03429	3.5
59.05005	0.7
61.02915	6.1
65.48219	0.4
66.65906	0.3
67.05504	0.9
69.03415	11.6
69.07062	1.2
70.06573	2.5
71.04988	4.0
71.60644	0.4
71.61023	0.5
72.08148	0.5
73.02910	4.7
77.00944	0.4
79.05473	0.6
81.03416	3.8
81.07050	0.6
83.01320	0.6
83.04942	0.7
84.08131	1.1
85.02892	25.9
85.06505	0.6
86.03222	0.5
86.06064	0.5
86.09698	1.9
87.04457	3.3
91.03938	1.5
91.05464	1.1
93.05770	0.4
94.06548	0.9
95.04944	0.8
95.06075	0.7
97.02872	11.8
97.06532	1.2
98.03189	0.4
98.97561	1.5
99.04433	2.7
101.00877	1.2
101.02364	0.5
103.02430	0.5
103.03169	0.5
103.03846	0.4
105.07014	0.8
107.04934	1.2
109.02862	3.4
110.07130	0.8
111.04411	0.7
115.02401	0.7
115.03902	1.3
115.07556	1.8
116.98629	0.9
117.05737	5.8
118.06511	4.9
119.01908	6.2
119.04874	0.6
120.02055	1.3
121.01640	1.0
121.02840	6.1
121.04176	0.6
121.06474	2.1
122.06012	0.6
122.09658	0.8
123.04420	1.4
127.03897	7.6
130.06528	0.5
131.01900	2.4
132.08067	49.8
133.03444	1.1
133.03911	0.6
133.04947	10.6
133.08484	2.1
134.09636	7.3
134.99641	1.0
135.04340	0.6
136.06160	1.0
136.07570	0.5
137.02962	1.9
137.05931	1.4
137.08301	0.4
138.06300	0.6
143.01900	2.0
145.01617	0.5
145.03471	1.5
145.04929	6.9
147.04315	1.1
148.07526	2.2
149.07069	1.8
150.05577	3.6
150.09113	88.6
151.06030	0.6
151.09503	2.4
153.03018	0.7
155.01892	1.0
157.03456	1.9
158.03674	0.7
159.03175	0.5
159.05003	0.6
161.02818	2.5
162.02983	0.5
162.09079	0.5
162.99123	0.4
163.02702	0.6
163.03931	1.4
163.05974	1.1
167.06949	0.7
169.03555	0.6
170.06537	0.6
171.01353	0.5
171.05087	1.0
171.06659	0.9
173.02960	1.8
173.06575	0.5
174.02959	0.5
174.05463	1.0
174.98479	0.5
175.04498	1.4
175.06255	4.4
176.04134	0.5
177.00841	1.1
178.06984	1.1
180.08687	0.6
180.56064	0.5
183.05022	0.7
183.08504	0.5
185.02893	1.1
185.06644	0.6
186.03088	0.4
187.02882	0.8
187.04549	1.1
187.08246	0.5
188.06973	2.6
189.02408	0.9
189.07614	0.5
190.04962	0.9
191.02357	0.7
194.07054	6.2
195.56689	0.4
197.04648	0.7
198.98637	0.5
201.02458	0.5
201.06059	0.8
202.03281	0.4
202.04935	1.0
202.08862	0.5
203.04070	0.9
203.05679	0.6
204.06499	10.3
205.05467	0.6
206.05435	0.7
212.05312	0.7
212.07141	0.6
215.03812	0.6
216.04544	0.4
216.06601	0.6
216.98579	0.9
217.04051	1.2
219.01868	2.4
221.05016	1.9
221.06793	0.7
223.04536	0.6
223.06508	1.4
224.06726	0.6
225.04321	0.5
225.06300	0.4
225.96251	0.4
231.01871	0.5
234.07617	1.5
234.99733	1.6
240.06509	3.0
241.07570	0.4
245.05067	0.8
253.05516	0.8
258.07516	1.0
265.07700	0.5
267.07150	0.6
275.02399	0.6
282.07620	0.5
289.04031	0.4
294.09708	2.6
294.12961	0.6
295.10095	0.6
307.03024	0.5
312.07617	2.3
312.10754	15.6
312.14301	100.0
313.07504	1.7
313.10941	0.9
313.14520	4.5
319.12167	0.5
321.10272	0.6
330.15457	0.7
331.03510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59995	1.5
53.03939	2.5
55.01857	3.0
55.05507	31.5
57.03437	5.4
57.07062	15.0
59.04996	2.0
65.03928	1.8
67.05497	35.0
69.03419	14.6
69.07058	68.2
70.88862	4.2
71.04965	5.0
71.08613	6.3
79.05484	27.0
81.03399	9.6
81.07047	100.0
83.04973	5.6
83.08610	30.9
83.56450	1.5
85.02880	8.9
85.06536	19.5
85.10154	2.1
91.05473	17.1
92.05788	1.5
93.07030	72.6
94.07365	4.4
95.04964	9.6
95.08595	90.0
97.02899	4.6
97.06523	10.4
97.10155	23.9
99.04426	4.2
99.08080	15.3
100.11235	5.3
103.05434	2.0
105.07020	13.2
107.04921	3.9
107.08582	33.1
108.08905	2.0
109.02853	9.0
109.06493	3.9
109.10142	51.2
110.10455	2.1
111.08075	8.3
111.11693	17.0
112.96634	1.7
113.09637	4.7
117.06999	3.1
119.04914	2.6
119.08554	14.2
121.06497	6.4
121.10127	58.1
122.10452	3.3
123.04501	1.9
123.08043	5.9
123.11697	25.6
123.78384	1.5
125.06015	2.0
125.09608	7.0
125.13242	4.2
127.03896	6.0
127.11176	2.2
129.06927	2.7
129.12733	1.8
131.08556	7.6
133.10112	6.9
135.11693	11.9
137.05966	6.6
137.09587	2.0
137.13280	11.2
139.11160	6.6
142.07765	2.1
143.08545	3.3
145.04956	1.9
145.10115	6.8
147.04378	5.5
147.07961	2.0
147.11659	4.5
148.04733	2.7
148.50433	1.7
149.09578	16.4
149.13251	15.3
151.11209	2.1
151.14824	9.5
153.12743	5.0
154.09883	1.7
155.08577	2.2
157.10115	6.2
159.08028	2.5
159.11720	4.2
161.13295	2.9
163.11220	3.8
163.14780	6.3
165.16351	4.9
167.08621	2.5
167.10693	5.5
169.10114	2.7
171.11647	3.2
173.09633	2.2
175.14734	2.0
177.16373	2.9
179.17894	2.9
183.11740	2.0
187.11140	2.3
191.10703	2.5
197.13292	2.0
199.14684	2.1
201.09160	1.9
209.09798	2.0
209.13310	2.0
211.11134	1.9
219.08081	2.9
219.20966	1.9
237.09097	2.2
237.16211	1.9
275.19891	1.8
275.27292	6.8
281.28314	3.7
293.21805	1.9
293.25208	2.8
293.28394	8.1
311.05655	3.2
311.09290	3.6
311.12454	2.4
311.16064	10.0
311.20013	9.5
311.23560	6.4
311.29514	36.3
312.16385	2.1
312.19846	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04566	1.1
52.93882	1.2
53.03931	5.1
55.01862	3.4
55.05499	32.6
57.03413	5.1
57.07067	15.4
59.04988	3.1
61.02932	1.8
65.03909	1.6
67.05493	29.9
69.03415	18.1
69.07055	73.5
71.04973	7.2
71.08603	6.4
73.02902	2.5
73.06535	2.4
77.03892	1.4
79.05138	0.7
79.05476	37.2
81.03406	14.1
81.07041	91.5
82.03727	1.8
82.07371	1.4
83.04969	8.1
83.08604	36.3
85.02891	12.7
85.06530	24.5
85.10173	2.3
87.58440	1.4
91.05461	20.7
93.07025	100.0
94.07354	2.3
95.04958	9.2
95.08589	79.4
97.02872	6.7
97.06516	19.5
97.10153	16.1
99.04433	4.7
99.08080	10.9
101.71367	1.3
104.80709	1.4
105.04490	1.8
105.07018	16.4
107.04931	5.0
107.08572	51.0
108.08926	1.5
109.02853	9.2
109.06490	4.4
109.10135	50.7
111.04404	3.5
111.08058	11.0
111.11702	17.8
113.09694	1.6
115.05428	1.7
116.06181	1.4
117.07017	2.6
119.04964	2.8
119.08586	16.4
121.06504	8.4
121.10120	79.0
121.53360	1.3
122.10464	5.2
123.08096	2.7
123.11697	23.1
125.09608	3.6
125.13229	7.4
127.03896	4.3
127.11157	2.6
129.07018	2.0
129.12715	1.9
131.07002	1.5
131.08537	10.2
133.10098	7.1
135.08035	3.4
135.11653	12.6
137.05980	5.0
137.09595	2.0
137.13216	9.4
139.11133	3.4
141.24347	1.3
143.08557	3.1
145.10075	6.8
147.04335	9.0
147.07970	2.5
147.11673	8.0
148.04709	4.7
149.04907	3.1
149.09596	18.2
149.12022	2.3
149.13228	44.3
151.03905	3.7
151.14787	12.7
153.05354	1.5
153.12663	6.7
155.08537	1.8
157.10139	4.1
159.08098	3.3
159.11679	2.9
161.09549	3.1
161.13235	2.1
163.03897	1.3
163.14822	5.9
163.50983	1.6
165.09140	1.5
165.16389	4.2
167.10628	8.4
167.14282	12.6
169.10165	3.6
171.08029	2.3
171.11702	3.4
173.09590	1.6
173.13190	3.3
175.11101	1.7
177.16447	1.7
181.10080	2.0
184.16920	17.7
184.18225	1.7
185.13272	1.5
187.07556	2.1
187.11174	1.5
191.08548	1.8
191.10628	2.1
191.18085	1.5
192.13777	2.0
193.10091	2.1
195.11694	2.1
197.09599	2.0
197.13158	1.6
215.10703	2.9
218.23344	1.4
219.07997	1.9
219.20895	1.9
237.09076	1.7
237.11191	1.9
250.21675	3.2
251.10606	2.7
255.10141	3.7
266.21127	27.5
269.15259	1.6
275.20129	2.8
275.27267	5.6
276.19537	2.0
279.10147	2.6
281.28406	2.1
293.13873	5.6
293.28336	9.0
294.20584	52.0
311.09164	3.2
311.12656	2.8
311.16232	20.0
311.20023	8.6
311.23700	4.0
311.29343	32.3
312.16397	2.6
312.22073	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	311.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.4
54.31892	0.9
55.01854	1.8
55.05500	17.1
57.03414	3.8
59.04984	1.1
61.02926	1.5
65.03935	0.9
67.05479	5.6
69.03076	1.3
69.03419	22.0
69.07047	2.1
69.47914	8.9
71.04963	3.0
73.02889	1.7
73.06525	4.2
75.04451	2.9
79.05476	31.7
80.05754	1.1
81.03399	13.5
81.07037	8.9
83.04964	1.8
85.02888	13.2
91.05461	18.0
93.07023	97.7
94.07349	2.1
95.04967	7.5
95.08598	7.2
97.02882	7.5
97.06496	1.8
99.04440	3.7
102.07652	1.0
103.05390	2.3
105.07008	11.0
107.04919	2.1
107.08574	30.2
109.02878	8.5
109.06496	3.2
109.10120	4.1
110.03161	1.0
111.04412	1.2
111.08047	3.6
117.06968	2.2
119.08569	16.7
121.02861	1.0
121.06455	3.6
121.10117	100.0
122.10433	2.2
123.08022	2.1
123.11690	1.7
125.06003	1.3
127.03881	7.6
129.06941	1.1
131.08542	6.5
133.10094	2.2
135.08018	1.4
135.11652	1.1
137.09619	2.1
139.11171	2.1
143.08539	1.9
143.54289	1.0
145.04918	2.2
145.10071	2.2
147.04396	3.2
147.11624	2.1
148.04718	1.2
149.02313	48.7
149.04922	1.5
149.09599	18.1
156.44144	1.1
157.10091	1.4
163.03835	1.2
163.11194	2.0
165.09062	1.6
167.10646	11.5
169.10149	1.2
170.47816	1.1
172.96158	0.9
173.09567	1.7
179.14236	1.0
187.11081	1.1
188.64470	1.2
191.10667	2.1
221.08009	2.8
242.26216	1.0
245.11900	0.9
283.15369	1.1
293.13815	10.7
311.05527	2.6
311.15085	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2575
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
52.86008	0.4
53.00288	0.4
53.03943	1.1
53.91312	0.4
55.01848	1.4
55.05505	38.0
57.03432	14.9
57.07070	20.0
58.07404	0.6
63.74970	0.4
67.05500	5.7
69.07062	42.5
69.56648	0.4
70.07379	0.4
70.49058	0.6
71.04974	0.6
71.08624	11.5
73.02908	1.0
79.05483	3.8
81.07050	8.0
83.04967	1.0
83.08611	35.8
84.08948	0.7
85.10175	4.5
91.05462	0.7
91.75377	0.4
93.07030	4.9
95.08595	5.1
96.63560	0.4
97.06528	3.5
97.10162	25.4
98.10458	0.4
107.08585	3.1
108.01444	0.4
109.10152	2.3
111.08053	1.8
111.11706	7.8
112.12032	0.5
121.10123	5.4
123.11689	1.2
125.09607	1.7
125.13255	2.2
135.11684	3.0
137.13242	0.5
139.11172	1.1
149.13222	1.8
153.00427	0.5
153.12766	0.6
163.14804	1.0
209.11714	2.0
219.21045	1.4
237.11145	1.6
237.22093	0.9
255.12314	0.6
311.25769	100.0
312.26144	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	311.1485
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.02366	0.8
53.03944	5.3
55.01863	1.2
55.05512	4.2
57.03436	4.1
61.02919	1.4
61.38329	0.9
67.05512	4.4
69.03422	23.8
69.07066	1.7
70.67796	1.7
70.68164	2.0
71.04974	3.3
73.02898	1.6
79.05486	34.0
80.58253	0.8
81.03416	21.0
81.07054	4.7
83.04976	1.4
83.56136	0.9
85.02416	1.3
85.02900	17.9
85.06516	1.4
87.04462	1.2
91.05475	22.7
93.07034	100.0
94.07364	1.7
95.04942	6.4
95.08582	4.8
97.02895	7.6
97.06544	1.3
99.04438	3.3
103.05460	3.2
105.07019	17.6
106.07809	1.3
107.04961	5.5
107.07861	1.3
107.08586	25.7
109.02866	7.9
109.06506	2.0
111.04405	1.1
111.08075	2.8
115.03888	1.4
116.06207	1.1
117.07009	0.9
119.04915	2.0
119.08563	7.1
121.06492	5.5
121.10130	95.4
122.10479	1.9
123.04382	1.5
123.08063	4.0
123.11708	1.8
124.07588	1.0
127.03916	5.6
129.07027	1.7
131.08560	10.3
133.07578	1.8
133.10146	3.7
137.05972	2.6
139.11150	4.0
145.10172	2.2
147.04381	6.6
148.04732	4.1
149.04977	3.4
149.09607	48.7
150.09958	1.7
163.11203	1.1
167.10712	5.8
187.07428	1.0
293.13806	12.4
311.05563	2.0
311.09116	1.7
311.15256	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	311.1484
Annotation	Bidenoside C
Peak:m/z	Relative Intensity
51.45991	0.7
53.03937	6.8
55.01852	2.7
55.05501	7.3
57.03434	4.8
57.07051	1.0
59.04979	1.0
61.02921	1.2
65.03923	0.9
67.05486	5.0
68.86944	0.9
69.03420	23.5
69.07041	3.7
69.40462	1.8
69.40869	7.0
71.01334	1.2
71.04970	2.3
73.02905	3.1
74.46583	0.8
75.04478	1.1
76.11134	0.9
79.05481	25.3
81.03407	28.6
81.07048	10.7
82.83470	0.8
83.04989	2.1
83.08604	1.3
85.02895	17.1
85.06512	2.2
87.04487	1.2
91.05468	21.4
93.07030	86.0
94.07372	2.2
95.04961	5.8
95.08589	6.9
97.02882	9.2
97.06514	2.3
97.10154	1.1
98.21603	0.9
99.04428	5.4
103.05441	1.5
103.44460	0.9
105.07016	18.3
106.07806	1.0
107.04955	2.8
107.08581	19.2
109.02869	13.8
109.06504	3.5
109.10140	3.7
111.04426	1.7
111.08064	3.1
115.05451	0.9
116.06219	0.9
117.06992	1.8
119.04885	1.5
119.08567	22.5
119.96490	0.8
121.06504	5.2
121.10124	100.0
122.10459	2.5
123.08036	5.4
123.11678	3.5
125.09644	1.2
126.13942	0.9
127.03925	5.9
129.05487	1.2
129.07007	1.8
131.04915	1.1
131.08551	12.4
133.06400	0.9
133.07605	0.9
133.10104	4.5
137.05952	2.2
139.11145	2.8
145.04959	2.0
145.10110	2.5
147.04358	4.7
147.08044	1.0
147.11636	2.7
148.04756	1.3
149.02319	4.0
149.04932	1.9
149.09598	51.6
150.09956	1.6
157.10135	1.4
159.11653	1.8
161.09569	1.3
163.11159	1.9
165.09087	1.4
167.10703	11.4
171.11755	1.1
191.10760	1.5
219.07994	1.2
279.10141	1.1
283.15356	1.5
293.13770	16.0
293.20813	1.2
296.10107	1.4
311.09097	2.1
311.15213	7.1
311.22995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.0
53.03944	5.4
54.47483	0.7
55.01863	1.6
55.05503	4.3
57.03425	4.0
61.02921	0.8
67.05481	2.7
69.03072	1.5
69.03420	20.1
69.53486	6.2
70.06615	0.6
71.04964	2.4
72.06738	0.7
72.08134	1.0
73.02911	1.7
75.04467	1.0
79.05484	31.4
79.05958	1.5
81.03404	16.0
81.07044	7.0
83.04951	1.4
85.02895	15.8
87.04453	1.4
91.02036	0.8
91.04893	1.0
91.05466	20.4
93.07030	91.9
94.07362	1.4
95.04973	6.1
95.08584	3.7
97.02902	5.3
97.06500	1.2
99.04436	2.6
103.05431	2.3
105.04509	0.7
105.07017	18.7
107.04950	3.9
107.08582	22.1
109.02856	7.6
109.06487	2.0
109.10145	1.1
111.08068	2.4
116.06218	1.1
119.08568	5.5
121.06496	3.5
121.10125	100.0
122.10456	1.9
123.04396	0.9
123.08046	3.2
123.11687	2.1
124.07574	0.8
125.05920	1.0
125.09608	1.3
127.03898	5.8
129.06990	1.2
129.10251	0.8
131.08559	10.9
133.07588	1.2
133.10117	2.8
137.05975	1.1
139.11197	3.8
147.04362	4.5
148.04741	2.9
149.04927	1.4
149.09598	48.8
150.09917	1.0
159.11667	1.1
159.67245	0.8
167.10645	5.8
208.43652	0.8
255.77896	0.9
276.98825	0.9
279.10019	0.8
291.94269	0.8
293.13797	9.5
309.98935	0.7
311.09323	1.0
311.15176	7.8
312.48337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59410	0.7
53.03939	6.7
55.01844	2.0
55.05505	6.0
57.03432	4.1
57.07066	1.5
59.04980	1.9
61.02892	1.8
65.03911	1.5
67.05495	10.1
69.03419	25.1
69.07043	4.9
69.43008	7.6
71.04969	3.9
72.18818	0.7
73.02891	1.8
75.04465	1.9
77.03893	1.0
79.05479	31.6
81.03407	27.4
81.07044	15.2
83.04956	2.3
83.08588	1.7
84.65135	0.8
85.02421	1.1
85.02891	15.0
85.06519	3.8
87.04449	2.0
91.05462	22.4
93.07029	100.0
94.07361	1.7
95.04966	6.4
95.08589	9.7
97.02869	9.6
97.06495	4.9
97.10128	1.0
98.21437	1.5
99.04424	6.0
99.08060	1.3
103.05441	1.9
105.03390	4.7
105.04482	1.4
105.07018	16.8
106.07749	1.4
107.04944	2.5
107.08579	26.3
109.02119	1.2
109.02858	13.1
109.06497	3.8
109.09433	1.4
109.10135	13.4
111.04411	1.5
111.08062	2.9
113.09609	1.3
116.06202	1.6
117.07017	2.1
119.04902	1.8
119.08557	13.5
121.05688	1.1
121.06489	5.5
121.10123	98.2
122.10432	2.4
123.04401	1.2
123.08081	4.2
123.11716	4.5
125.05969	1.4
125.09615	5.1
127.03222	0.7
127.03922	8.0
127.16233	0.7
129.07005	1.5
131.04880	0.9
131.08553	11.5
133.06445	1.0
133.10091	5.0
135.04434	1.3
135.08015	1.8
135.11613	2.6
137.05943	2.8
137.09593	2.7
137.13280	0.9
139.07439	1.5
139.11139	3.5
141.09084	1.0
143.08521	1.1
145.02875	0.9
145.04944	2.0
145.10080	3.0
146.51410	0.7
147.04349	5.4
147.07944	1.7
147.11674	1.9
148.04726	2.5
149.04909	2.5
149.05971	1.9
149.09602	37.4
150.09879	1.2
157.09984	1.3
159.07977	1.5
159.11674	1.5
161.09647	1.7
163.11116	2.7
165.09076	1.8
167.10660	10.3
169.12209	0.8
173.13103	1.3
177.05458	1.7
179.10603	1.2
183.11603	0.8
187.11064	1.0
191.10698	1.4
191.14212	1.0
215.10594	0.9
219.08047	1.7
220.48721	1.0
223.07509	0.9
237.09108	1.6
251.06955	1.2
251.10574	2.3
265.14331	1.0
275.20038	1.3
279.10089	1.6
283.15302	2.7
293.13818	12.2
293.17142	1.8
293.20975	1.9
294.13986	1.0
311.05756	1.6
311.09296	1.3
311.15265	6.8
311.25720	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	311.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.4
55.05499	0.9
57.03415	1.7
57.07059	1.0
59.04987	1.5
59.78476	0.4
61.02907	1.3
65.03946	0.4
67.05472	1.5
68.05807	0.4
69.03414	3.4
69.07065	2.6
69.63564	2.0
69.63979	1.3
70.06574	1.2
71.04981	2.3
72.05305	0.5
72.08177	0.5
73.02908	1.0
74.02428	5.5
74.63061	0.4
75.04514	0.4
79.05476	0.5
81.03393	1.0
81.04517	0.9
81.07037	1.0
83.04974	0.5
84.04464	0.4
84.08127	1.5
85.02892	6.4
85.06525	2.6
86.03217	0.9
86.06859	1.0
87.04423	1.2
91.03918	0.6
91.05457	1.2
93.07014	0.7
95.04965	0.8
95.08597	3.6
97.02876	3.4
98.97550	0.4
99.04420	0.6
100.07594	0.8
101.07957	0.8
103.03864	0.5
103.05362	0.4
103.07546	1.3
105.05479	0.5
107.04939	1.7
107.08582	0.6
108.58049	0.4
109.02872	1.0
109.06501	0.6
110.05997	0.6
111.04440	0.4
113.05981	4.0
113.09621	5.1
114.06337	2.5
116.98626	0.5
119.04949	1.6
120.05297	0.5
120.08083	0.8
121.02892	0.7
121.06550	0.5
122.07121	1.1
123.04427	0.9
123.07978	0.6
123.09887	0.4
127.03903	2.5
129.07390	0.9
130.08621	1.5
131.07002	6.8
131.10646	1.8
132.07333	4.8
132.08160	0.6
133.05022	0.6
134.05991	0.5
135.04352	0.4
135.07957	0.4
136.07552	2.3
137.05948	1.1
140.07033	0.7
145.04921	1.7
146.08139	0.8
147.04390	6.0
148.04782	2.1
149.02077	20.3
149.04866	2.3
149.06047	0.6
149.07069	2.3
149.08131	0.4
149.09720	0.4
149.11725	1.9
150.05423	1.1
151.03862	0.7
151.06155	0.5
152.07033	0.9
161.05927	0.6
161.07089	4.6
163.03922	1.1
164.07082	0.8
165.05466	1.9
166.08656	1.6
167.92970	0.4
168.06581	0.9
175.11954	0.6
179.07007	0.6
182.08121	2.1
185.02843	1.5
185.04221	4.6
197.36818	0.4
203.03891	0.8
203.08028	0.5
209.11546	0.5
227.03954	0.4
237.05492	0.4
245.09175	1.0
257.09177	1.6
263.03796	0.5
265.15509	1.2
275.10086	0.8
275.20209	0.4
293.11334	4.9
311.07324	100.0
311.12598	4.6
311.15918	3.3
312.07635	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1271
Annotation	Cl-Amidine
Peak:m/z	Relative Intensity
53.72253	0.2
55.05490	0.8
56.30479	0.3
57.03416	0.3
57.07066	2.6
67.05485	1.3
69.07059	0.7
69.29640	3.2
70.54076	0.3
75.47849	0.3
76.99157	0.3
79.05488	0.7
81.07050	1.6
83.04960	0.8
83.08606	0.4
91.05467	0.7
93.07027	1.4
93.63661	0.3
95.04957	0.4
95.08574	1.1
97.06536	0.4
98.21438	0.6
102.52762	0.3
105.07036	0.9
107.08588	1.0
109.02828	0.4
109.10138	0.6
111.04436	1.6
111.08077	0.4
119.08560	0.8
121.10142	1.2
125.05971	0.5
131.08557	0.9
133.10156	0.4
135.11674	0.4
145.10112	0.8
149.09566	0.4
153.05460	1.5
155.08522	0.4
159.11716	0.6
161.13246	0.4
163.11174	0.6
181.12151	0.6
191.10660	1.2
193.04878	0.7
201.16365	0.9
205.06474	0.3
209.09720	0.7
209.11684	9.3
209.13618	0.5
218.07359	0.4
219.17415	0.5
222.06715	0.8
234.06638	0.6
235.07492	10.2
236.08224	1.8
237.11186	8.2
238.06290	0.5
240.07846	0.5
247.07497	1.7
249.05464	1.4
250.06178	1.2
251.07013	6.4
251.09735	0.4
251.10762	0.6
252.07364	0.4
255.12297	2.3
263.07013	6.4
264.07767	36.9
265.08194	2.8
265.12265	0.4
266.05664	1.0
269.11697	1.0
293.11670	76.6
294.12021	4.1
295.09674	0.9
311.12723	100.0
311.24069	1.3
311.74829	0.5
312.09720	0.5
312.13058	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	310.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99287	0.6
53.03923	0.8
55.01854	0.6
57.03408	1.7
57.07048	2.0
61.02909	2.6
62.57729	0.5
67.05170	0.8
67.05495	11.1
68.80548	0.6
69.03418	3.9
69.07062	0.7
70.01786	3.0
70.06593	0.7
71.04981	7.4
73.53053	0.6
81.03399	2.3
81.07062	0.9
84.08095	0.7
85.02891	15.5
85.06525	7.0
89.76881	0.5
89.91100	0.6
91.03939	0.9
91.05467	1.1
93.58255	0.6
94.88272	0.5
95.04955	15.2
97.02884	4.0
98.97593	0.9
99.08049	0.8
103.07568	1.2
109.02868	1.5
113.05984	100.0
114.06319	1.4
119.04906	1.7
120.05276	1.3
127.03876	2.9
131.07019	95.1
132.07370	1.2
145.04921	3.9
146.05984	2.0
147.04408	7.7
147.06297	1.1
148.04729	11.6
148.06548	1.0
148.07587	1.7
149.08034	0.7
154.24849	0.6
163.03893	3.5
291.48926	0.7
293.12274	1.7
310.13110	0.9
311.11108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13380	0.6
51.56018	0.5
51.73656	0.5
53.03925	0.8
55.01828	0.6
57.03417	2.1
57.07063	4.6
58.59008	0.5
59.04981	0.7
61.02913	4.8
66.14221	0.7
67.05494	8.1
69.03075	0.6
69.03416	7.1
69.07047	0.9
71.04987	7.0
71.05640	1.5
73.02890	1.8
76.02111	0.5
81.03400	2.2
85.02889	34.7
85.06526	5.5
87.04453	1.1
91.03931	2.4
95.04952	13.8
97.02882	8.6
98.97562	1.5
99.04421	1.7
109.02827	3.0
113.05985	45.8
114.06297	0.9
119.04902	1.5
120.05245	1.1
127.03899	6.5
131.07018	100.0
132.07381	1.1
136.07506	0.7
145.04921	14.4
147.04379	6.8
148.03589	1.1
148.04689	8.4
149.08037	1.1
163.03885	0.7
163.06010	4.7
189.85919	0.6
202.34650	0.6
293.12305	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	309.278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80470	1.1
50.93202	0.9
52.42393	1.0
53.03924	2.1
54.09522	1.0
55.00485	1.0
55.01655	0.9
55.01865	7.6
55.05503	25.9
56.05820	1.1
57.03417	5.3
57.07069	12.4
59.04966	3.8
59.95092	1.1
61.82887	1.1
65.09815	0.9
67.05495	44.9
68.05799	1.4
69.03413	9.9
69.07059	85.7
70.07384	1.7
71.04980	6.6
71.08608	4.0
71.62717	1.7
73.06522	3.5
75.04437	1.2
79.05479	15.9
81.03409	23.3
81.07043	100.0
82.07377	1.7
83.04990	5.9
83.08601	18.7
85.02895	16.0
85.06531	30.5
85.10132	1.1
91.05462	12.0
93.06464	2.0
93.07032	33.1
95.04951	5.6
95.08593	70.9
96.08932	3.0
97.02859	4.3
97.06516	13.9
97.10163	9.1
99.04433	2.5
99.08088	11.5
99.90907	1.0
105.07008	8.7
107.04941	1.3
107.08581	36.1
108.08896	1.5
109.02863	26.0
109.06480	3.1
109.10139	58.8
110.03699	2.5
110.10464	1.9
111.04412	4.8
111.08068	59.5
111.11705	18.8
112.08381	2.2
113.09603	2.1
113.86324	1.0
115.07501	1.5
117.06983	1.2
119.04923	13.3
119.08546	5.7
121.06520	2.4
121.10122	21.7
123.11694	34.6
125.02340	3.4
125.09625	9.6
125.13216	2.6
127.03912	8.5
127.11098	1.4
129.05464	3.0
131.08510	1.7
133.10083	5.1
135.04410	1.6
135.08046	7.7
135.11674	13.9
137.05968	1.8
137.09593	27.7
137.10567	2.1
137.13229	9.6
139.11180	11.7
143.08601	1.2
145.02840	2.4
145.04915	3.0
145.10123	1.3
147.04390	66.1
147.11719	2.1
148.04768	4.1
149.13231	24.1
150.13577	1.7
151.14795	2.3
153.12715	12.9
155.10674	2.3
157.12221	1.2
161.13229	3.3
163.03908	16.5
163.07550	2.1
163.14807	5.9
165.05423	3.2
165.09096	23.2
165.12811	1.2
165.16370	1.3
167.14279	6.1
177.05550	1.3
177.14929	1.0
177.16362	4.4
181.08551	1.3
181.15775	1.3
189.16299	1.7
203.18027	1.5
217.19490	1.9
235.20473	1.3
250.89702	1.1
267.06647	1.2
273.11453	1.2
273.25549	2.6
291.08612	9.1
291.12073	2.0
291.26776	11.0
309.10312	1.3
309.13278	51.3
309.27808	72.1
310.13574	6.2
310.23721	1.6
310.28217	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	309.278
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.80470	1.1
50.93202	0.9
52.42393	1.0
53.03924	2.1
54.09522	1.0
55.00485	1.0
55.01655	0.9
55.01865	7.6
55.05503	25.9
56.05820	1.1
57.03417	5.3
57.07069	12.4
59.04966	3.8
59.95092	1.1
61.82887	1.1
65.09815	0.9
67.05495	44.9
68.05799	1.4
69.03413	9.9
69.07059	85.7
70.07384	1.7
71.04980	6.6
71.08608	4.0
71.62717	1.7
73.06522	3.5
75.04437	1.2
79.05479	15.9
81.03409	23.3
81.07043	100.0
82.07377	1.7
83.04990	5.9
83.08601	18.7
85.02895	16.0
85.06531	30.5
85.10132	1.1
91.05462	12.0
93.06464	2.0
93.07032	33.1
95.04951	5.6
95.08593	70.9
96.08932	3.0
97.02859	4.3
97.06516	13.9
97.10163	9.1
99.04433	2.5
99.08088	11.5
99.90907	1.0
105.07008	8.7
107.04941	1.3
107.08581	36.1
108.08896	1.5
109.02863	26.0
109.06480	3.1
109.10139	58.8
110.03699	2.5
110.10464	1.9
111.04412	4.8
111.08068	59.5
111.11705	18.8
112.08381	2.2
113.09603	2.1
113.86324	1.0
115.07501	1.5
117.06983	1.2
119.04923	13.3
119.08546	5.7
121.06520	2.4
121.10122	21.7
123.11694	34.6
125.02340	3.4
125.09625	9.6
125.13216	2.6
127.03912	8.5
127.11098	1.4
129.05464	3.0
131.08510	1.7
133.10083	5.1
135.04410	1.6
135.08046	7.7
135.11674	13.9
137.05968	1.8
137.09593	27.7
137.10567	2.1
137.13229	9.6
139.11180	11.7
143.08601	1.2
145.02840	2.4
145.04915	3.0
145.10123	1.3
147.04390	66.1
147.11719	2.1
148.04768	4.1
149.13231	24.1
150.13577	1.7
151.14795	2.3
153.12715	12.9
155.10674	2.3
157.12221	1.2
161.13229	3.3
163.03908	16.5
163.07550	2.1
163.14807	5.9
165.05423	3.2
165.09096	23.2
165.12811	1.2
165.16370	1.3
167.14279	6.1
177.05550	1.3
177.14929	1.0
177.16362	4.4
181.08551	1.3
181.15775	1.3
189.16299	1.7
203.18027	1.5
217.19490	1.9
235.20473	1.3
250.89702	1.1
267.06647	1.2
273.11453	1.2
273.25549	2.6
291.08612	9.1
291.12073	2.0
291.26776	11.0
309.10312	1.3
309.13278	51.3
309.27808	72.1
310.13574	6.2
310.23721	1.6
310.28217	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	309.2419
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03936	2.1
53.31606	1.1
55.01864	2.4
55.05503	13.2
57.03426	3.5
57.07071	2.9
59.04992	1.6
66.52662	1.2
67.05494	33.8
69.03417	2.0
69.07060	16.6
69.75639	8.0
71.04987	3.0
71.08228	1.6
71.08622	46.9
79.05481	32.3
81.03400	4.8
81.07047	46.9
83.04967	10.0
83.08591	8.6
85.06528	3.2
91.05468	18.0
93.07033	49.5
95.04942	9.8
95.08152	0.7
95.08597	29.3
97.06521	8.6
97.10150	4.0
99.08081	44.5
99.25800	1.1
105.07016	16.3
107.04959	4.5
107.08578	27.3
109.06505	3.4
109.10152	11.4
111.08051	1.9
113.09634	2.9
117.06997	3.4
119.08563	13.4
121.06467	1.3
121.10127	27.4
123.08062	3.0
123.11677	2.6
127.11186	1.9
129.06973	1.8
131.07034	1.4
131.08554	4.2
133.10103	10.7
133.72157	1.1
135.11668	32.0
137.09604	3.2
139.07492	1.4
139.11243	1.3
141.09108	3.9
143.08548	2.8
145.10118	4.5
147.04401	2.8
147.11699	5.2
149.09615	1.6
149.13234	11.4
151.11171	14.9
153.12743	4.4
157.10068	1.6
159.11687	3.1
161.13206	9.8
163.11095	7.0
163.14851	2.8
165.12704	1.5
171.11650	3.1
173.13254	1.3
177.12740	4.1
179.14288	100.0
180.14648	3.0
181.12268	1.3
185.13345	2.3
189.12732	2.9
195.13823	2.9
199.14848	2.5
221.15341	2.9
235.16910	2.4
241.19540	2.3
259.20413	5.5
277.21585	70.2
278.22018	3.6
309.24362	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	309.2204
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03917	5.5
55.01850	4.1
55.05500	20.8
57.03402	8.9
57.07046	6.5
65.03904	1.9
67.05491	33.4
69.03398	2.9
69.07056	24.5
71.04956	2.8
79.05047	2.6
79.05470	33.7
81.03384	5.9
81.07038	51.9
83.04934	2.3
83.08591	11.2
89.51268	2.0
91.05461	46.5
93.07025	78.7
94.07333	2.9
95.04952	54.5
95.08582	49.1
96.05274	2.7
97.06507	19.2
99.08047	2.6
100.69111	1.8
103.05433	5.2
105.07005	79.9
107.04895	3.7
107.07855	2.9
107.08567	47.0
109.06481	14.0
109.10131	26.6
110.42354	2.2
115.05399	4.7
117.06982	16.7
119.04911	2.7
119.08556	74.1
121.06471	12.2
121.10117	100.0
122.10448	3.7
123.08031	13.9
123.11713	9.0
128.06221	9.0
128.34441	2.0
129.06999	14.1
130.07733	6.3
131.08553	41.7
133.06425	2.0
133.10103	46.8
135.07988	7.2
135.11646	16.1
137.13245	2.4
141.06883	6.9
142.07770	18.7
143.07483	2.6
143.08528	34.8
144.09271	8.1
145.06409	2.6
145.09038	3.4
145.10097	55.6
147.04375	12.8
147.07977	6.0
147.11682	15.5
149.09554	4.8
149.13234	3.0
153.07013	2.2
155.08492	9.8
156.09286	11.7
157.08934	3.0
157.10101	40.7
158.10826	5.3
159.08057	2.4
159.10417	3.8
159.11655	43.7
161.09642	11.1
161.10686	2.4
161.13228	9.4
163.11098	4.0
164.98425	3.5
167.08521	6.0
168.09261	2.3
169.10071	23.9
170.10880	4.7
171.11636	26.2
172.12254	2.2
173.09558	3.7
173.13220	18.0
175.11148	3.3
175.14766	8.7
179.08534	4.7
181.10042	8.1
182.10832	5.4
183.11653	15.9
184.12338	2.3
185.13245	13.0
187.11186	14.6
187.14757	28.5
188.11958	2.2
189.12723	4.2
189.16258	3.1
193.10120	4.6
193.12051	2.6
194.10857	3.1
195.11609	7.7
196.12343	3.1
197.13165	15.0
199.14771	11.9
201.12613	2.4
201.16338	2.8
207.11705	4.5
209.13176	8.4
211.14760	11.2
213.12805	2.6
213.16324	7.9
215.14232	4.8
220.12416	3.2
221.13106	3.7
223.14725	3.7
225.12820	3.1
225.16441	9.1
227.14243	3.1
229.15907	2.3
233.13278	2.5
235.14740	5.6
237.16335	2.9
239.14200	4.3
239.17810	6.2
240.18591	2.3
241.15816	2.4
249.16180	2.6
251.17778	2.4
253.15845	6.8
253.19316	2.9
265.19376	3.0
281.22510	7.3
291.20798	7.6
309.21988	80.9
309.25009	3.5
310.22415	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2053
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03924	5.5
55.01861	18.3
55.05262	1.9
55.05503	27.1
56.22034	1.2
57.03414	4.4
65.03922	2.0
67.05492	65.1
69.03403	4.7
69.07055	23.3
71.04353	3.4
71.04986	8.1
79.05479	40.0
79.05941	2.0
81.03389	4.1
81.07041	86.6
82.07368	1.7
83.04964	16.4
83.08605	8.5
85.06538	7.9
91.05463	50.8
93.06459	2.8
93.07026	48.0
94.07385	1.3
95.04967	12.8
95.08587	36.4
97.06534	6.8
97.10119	4.1
99.04414	6.2
99.08051	1.8
103.05469	1.8
105.07014	53.5
106.07339	1.5
107.04927	9.1
107.08575	51.0
108.08899	2.1
109.06512	11.3
109.10136	74.5
110.10474	2.9
111.04420	5.0
111.08057	9.6
113.05980	3.9
113.44617	1.3
117.07027	8.0
119.04935	2.9
119.08576	18.5
121.06487	10.6
121.10126	11.5
123.08070	8.5
123.11678	12.7
125.05984	2.6
125.09621	3.9
127.07516	4.0
129.06953	3.2
131.08542	14.8
133.06485	7.4
133.10109	100.0
134.10411	3.3
135.08052	7.7
135.11661	8.7
136.11934	1.9
137.05916	2.8
137.09595	5.0
139.07491	4.7
139.11147	1.8
143.08543	6.3
145.10052	10.2
147.04367	5.2
147.08057	10.0
147.11646	5.0
149.09636	8.0
151.11159	66.1
152.11481	3.7
153.09076	1.7
157.10051	4.3
159.07959	2.4
159.11652	5.4
161.09590	9.8
161.13235	3.6
163.11139	3.9
165.09093	2.6
167.10591	2.5
169.12216	23.8
171.11615	6.2
173.09525	2.8
173.13148	2.5
175.11169	5.7
177.09065	2.7
179.10641	5.4
181.08582	3.1
185.13243	3.1
189.11214	2.3
189.12692	3.5
193.61018	1.6
197.11627	2.5
203.14252	2.8
215.12720	10.0
217.12209	2.1
223.13176	1.8
227.17914	3.0
231.86649	1.5
235.13130	1.9
235.48257	1.4
245.18948	11.9
255.17378	4.4
258.57666	1.5
263.20047	11.7
264.20319	1.7
273.18433	35.1
274.18704	3.6
291.19470	61.8
292.19778	6.1
309.20520	24.3
309.25504	2.8
310.20712	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	309.2053
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03919	1.7
53.40882	0.5
55.01862	3.7
55.05501	18.8
57.03408	1.1
59.04974	1.0
65.03934	0.6
67.05160	0.9
67.05488	10.8
69.03424	2.9
69.07055	9.4
70.15211	1.4
70.15619	1.7
71.04960	1.6
79.05473	11.7
80.05766	0.6
81.03381	2.1
81.06577	0.9
81.07039	12.1
83.04944	2.8
83.08604	10.7
85.02898	0.7
91.05454	7.1
93.07031	9.1
95.01288	0.7
95.04956	4.4
95.08584	6.7
97.02863	1.8
97.06492	1.4
97.10155	16.8
102.83304	0.7
105.07003	5.8
107.04921	2.8
107.08585	7.6
109.02858	1.2
109.06467	1.3
109.10123	3.2
111.04411	1.1
111.08059	1.2
117.07006	3.7
119.04881	1.3
119.08549	5.8
121.06496	1.6
121.10108	3.4
123.04382	1.0
123.08045	4.6
123.11695	0.9
125.09587	10.1
129.06963	2.0
131.08524	4.0
133.06464	2.3
133.10091	2.6
135.08020	1.5
135.11639	0.7
137.09589	2.1
141.06981	0.7
143.08554	1.4
145.10045	3.4
147.04416	2.0
147.08032	3.1
147.11665	2.5
149.09549	1.4
153.09114	0.7
157.10085	1.2
159.11617	1.5
161.09590	1.7
161.13358	0.7
162.10350	1.0
163.11153	1.7
165.09091	2.0
171.11613	1.1
173.09460	0.9
173.13324	0.8
175.11223	1.3
185.13232	1.0
189.11194	6.7
190.11493	1.0
205.12170	0.8
221.11832	0.8
223.13229	5.8
245.18863	1.4
249.14799	1.5
255.17380	1.1
263.20047	0.7
273.18481	8.3
291.19485	100.0
292.19815	7.2
309.20825	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2053
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01862	4.4
55.05503	5.5
57.03143	1.6
57.03426	33.1
57.07052	0.9
58.57822	0.9
65.03939	2.2
67.05495	25.0
67.83353	0.7
69.03419	1.3
69.07050	2.4
69.60934	5.8
71.04975	3.5
79.05484	13.1
81.03387	1.9
81.07048	12.1
83.05006	1.0
83.08614	2.3
85.06534	35.8
89.38524	0.8
91.05457	10.4
93.07027	12.7
95.04955	41.1
95.08591	6.2
96.05244	0.9
96.08992	0.8
97.06551	1.2
105.07028	8.8
107.04948	3.3
107.08588	8.1
109.06503	38.0
109.10133	2.3
110.06815	0.8
111.08067	1.5
113.05988	100.0
114.06348	2.3
115.05370	1.0
117.06992	5.1
119.04945	1.8
119.08562	5.3
121.06475	1.8
121.10138	4.6
123.07960	1.5
126.82592	0.8
129.07016	2.8
131.08554	7.3
133.10117	4.1
135.08031	33.7
135.11676	3.9
136.08313	0.9
143.08517	4.0
145.10104	5.3
147.04362	5.9
147.08047	1.5
147.11674	1.4
149.09599	3.2
157.10150	3.2
159.11671	2.4
161.09605	3.9
163.11154	2.6
169.10295	0.8
171.11682	2.3
173.13338	1.1
177.12704	1.6
183.11729	2.3
185.13277	1.7
195.11720	0.9
195.13719	1.2
199.14812	2.9
201.12740	1.5
217.15846	9.5
219.13739	2.1
245.18907	0.9
255.17343	1.5
273.18463	14.9
291.19485	52.6
292.19952	3.2
309.21945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03946	6.5
55.01881	9.2
55.05503	21.5
57.03427	20.2
57.07064	4.4
59.16715	1.9
61.96878	1.6
65.03931	4.6
67.05495	69.4
69.03420	6.3
69.07054	13.2
69.47176	17.4
71.04978	8.1
79.05481	51.0
81.03416	10.1
81.07043	53.5
83.04960	8.0
83.08611	8.0
85.06538	9.7
91.05468	40.7
93.07030	42.3
95.04957	100.0
95.08589	27.6
97.06503	7.8
97.10140	4.8
99.04449	2.7
103.05486	3.4
105.07011	30.9
107.04947	14.3
107.08585	27.1
109.02847	2.1
109.06499	62.9
109.10152	11.7
110.06802	2.3
111.04424	7.8
111.08101	4.5
113.05972	22.7
115.05450	3.5
116.06224	2.3
117.06989	12.2
118.36617	1.8
119.04938	3.9
119.08570	18.7
121.06495	9.2
121.10121	14.2
123.04457	2.2
123.08056	8.2
123.11683	2.3
125.09616	4.7
128.06291	2.1
129.06990	7.3
131.08556	23.5
133.06488	2.5
133.10091	12.6
135.08041	43.7
135.11646	11.1
137.05928	3.9
137.09622	3.7
143.08559	11.7
145.06450	2.9
145.10107	18.0
147.04390	15.0
147.08026	9.2
147.11708	4.5
149.09598	9.6
149.13246	5.7
153.12770	2.0
155.08569	2.1
157.10101	7.8
159.11687	9.5
161.09560	10.7
161.13216	3.3
163.11182	6.9
169.10083	5.3
171.11696	5.5
173.09663	2.5
173.13202	3.4
175.11107	4.5
177.12718	4.2
181.10226	2.2
183.11644	2.3
187.11037	3.4
189.39865	2.0
193.06563	2.1
195.11742	2.5
195.13768	2.2
198.06395	2.1
199.14839	3.5
217.15823	15.5
227.17979	5.0
245.19098	3.0
255.17459	3.7
273.18448	36.7
273.21204	2.9
274.18790	2.7
291.19501	57.8
292.19879	4.3
309.21616	3.4
309.25644	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	309.2055
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03931	3.8
55.01861	10.5
55.05503	29.5
57.03431	30.3
57.07061	2.3
59.04988	1.9
65.03920	2.0
67.05495	31.2
67.70013	0.7
68.05835	1.1
69.03412	4.1
69.07059	14.1
71.04991	4.3
77.03898	0.8
79.05485	39.1
81.03403	6.0
81.07048	62.7
83.04966	6.5
83.08604	16.3
85.02883	2.3
85.06528	6.3
87.08127	0.8
91.05467	28.0
93.03367	1.7
93.06459	1.7
93.07033	27.4
94.07349	0.9
95.04956	12.5
95.08037	1.5
95.08600	20.7
97.06540	4.7
97.10159	26.2
99.04449	1.1
99.08086	7.3
101.09632	1.0
103.05434	1.5
104.06218	0.8
105.03406	1.8
105.07021	20.3
107.04942	21.6
107.08575	20.9
108.08861	0.8
109.02857	3.6
109.06505	20.6
109.10143	14.9
111.04413	1.9
111.08070	3.5
111.11702	1.5
113.09638	0.8
115.05444	1.9
117.07008	22.5
118.07352	0.9
119.04920	7.0
119.08565	49.4
121.06491	11.3
121.10123	9.1
122.78354	0.8
123.08044	8.9
123.11658	2.1
125.09617	17.2
127.03882	2.5
127.04868	0.8
128.06210	1.7
129.07002	9.1
131.08551	17.1
132.05664	1.3
133.06482	3.2
133.10127	6.7
135.08040	12.7
135.11650	3.9
137.05925	1.0
137.09627	7.4
137.13222	1.8
139.11148	1.3
141.06982	1.5
141.09111	0.7
142.07790	1.3
143.08548	7.2
143.10677	0.9
145.06474	1.2
145.10109	19.2
146.10568	0.8
147.04399	29.4
147.08038	21.3
147.11668	3.9
149.09631	4.6
149.13239	2.7
151.11232	1.2
153.09077	3.7
153.12761	0.9
154.27316	0.8
155.01039	0.9
155.08536	2.1
157.10130	8.6
159.07990	4.4
159.11655	6.2
161.09589	6.8
161.13217	1.6
163.09937	1.0
163.11157	3.6
165.09084	5.3
169.10092	2.2
171.10219	2.0
171.11699	4.7
173.09615	2.6
173.11813	1.3
173.13223	4.6
175.11165	3.1
175.14772	1.2
177.09099	1.5
177.12657	0.9
177.16359	1.1
183.10146	0.8
183.11636	3.5
185.09587	1.4
185.13235	3.4
185.57034	0.8
187.11186	1.8
189.09535	1.5
189.11203	13.5
189.16374	1.3
191.14149	1.8
193.12201	1.4
195.11697	1.9
199.11157	1.4
199.14856	2.7
201.12712	2.9
205.12360	1.0
209.13322	1.7
210.14896	1.0
213.12660	1.1
213.16348	1.0
217.15851	2.4
219.13766	9.7
223.13184	5.2
227.18005	4.2
231.13771	1.1
235.16902	1.2
237.14793	3.5
245.18925	2.5
249.06815	1.4
249.14806	5.6
255.17378	6.2
263.19949	1.5
273.18460	49.4
274.18759	3.9
291.08655	1.9
291.19504	100.0
292.19876	8.3
309.13443	8.2
309.22037	2.0
309.25522	2.0
317.41931	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01859	1.2
55.05502	3.8
57.03427	2.5
57.07048	1.0
59.04984	0.5
65.03938	1.1
65.04752	0.4
67.01865	0.5
67.05497	13.5
69.03420	6.0
69.07061	4.2
71.05000	2.1
71.62522	0.7
73.02905	0.8
79.05475	4.0
81.03410	21.9
81.07046	16.1
82.03742	0.7
83.04975	2.9
83.08621	0.9
85.02902	5.8
85.06517	1.6
91.05468	11.3
93.07037	3.9
95.04956	3.1
95.08597	6.1
97.02880	2.3
97.06499	1.7
97.10177	1.1
98.97559	3.9
99.04441	2.8
99.08101	1.0
105.03385	0.4
105.07037	2.2
107.04963	0.9
107.08582	6.7
109.02871	22.2
109.06491	2.1
109.10147	24.8
110.03696	2.6
110.10493	0.5
111.04414	3.8
111.08058	1.4
111.11736	0.7
112.37177	0.5
113.05962	0.5
113.62076	0.4
115.05470	0.6
116.98605	1.9
117.07000	1.3
119.04927	21.8
119.08565	3.8
121.06480	0.9
121.10121	2.4
123.04386	0.6
123.08026	0.8
123.11689	1.1
124.05185	0.9
125.02339	3.7
125.05951	0.8
125.09604	0.8
126.03107	1.5
127.03915	7.4
129.06934	0.4
131.08549	1.2
133.06523	0.5
133.10083	1.5
134.99634	0.4
135.08049	6.4
135.11667	1.3
137.05971	1.8
137.09605	24.3
137.13213	0.5
138.09932	0.6
139.11192	0.6
145.06470	0.5
145.10133	1.5
147.04393	100.0
147.08087	1.3
147.11668	1.2
148.04720	4.3
149.09607	0.9
149.13229	1.1
151.11159	0.9
153.01776	0.5
155.10663	1.5
157.10039	0.5
158.99599	2.4
159.11696	1.1
161.09601	1.1
161.13300	0.4
163.07491	2.1
163.14813	0.6
165.05458	4.3
165.06787	0.7
165.09099	18.4
165.12781	0.5
165.95790	0.5
171.11629	0.8
177.00627	2.2
177.05423	0.7
183.10083	0.6
185.13223	0.7
187.03860	0.5
189.09280	0.5
189.12761	0.5
200.02437	0.6
201.11194	0.5
215.03539	0.5
217.12317	0.8
239.66547	0.5
263.12714	1.0
267.06497	1.1
268.13281	0.8
273.11014	0.5
273.18585	0.6
277.13818	5.1
277.64038	0.8
281.22498	0.6
286.14240	1.0
286.64590	0.5
288.64609	1.2
291.08636	11.6
291.12085	1.6
291.19641	1.0
291.22827	0.5
309.10184	1.7
309.13300	40.4
309.27740	0.7
310.13818	2.6
316.85495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01856	0.4
55.05496	1.7
56.39747	0.2
57.03419	1.1
58.45840	0.2
59.04987	0.6
61.02909	0.5
61.34779	0.3
65.03934	1.0
67.05498	9.3
69.03419	4.0
69.07063	1.4
69.42045	1.7
69.42471	0.8
71.04977	1.0
79.05482	2.1
81.03407	12.6
81.07050	9.2
83.04965	1.8
83.08605	0.3
85.02904	2.0
88.95176	0.2
90.42725	0.2
90.59794	0.2
91.05466	6.7
93.07019	1.6
95.04967	1.2
95.08588	2.5
97.02876	1.9
97.06538	0.4
99.04440	1.1
99.08066	0.7
105.07039	0.9
107.04957	0.7
107.08566	2.8
109.02866	15.3
109.06482	1.1
109.10139	14.8
110.03680	2.0
110.10456	0.3
111.04416	2.1
117.07043	0.5
119.04929	19.6
119.08544	1.1
120.05244	0.7
121.06496	0.6
121.10129	0.6
123.11671	0.3
124.05209	0.6
125.02317	1.8
126.03123	0.8
127.03905	4.5
128.04260	0.2
131.08618	0.3
133.10123	0.5
135.08035	5.1
137.05936	1.0
137.09596	17.2
138.09961	0.7
143.08559	0.3
147.04388	100.0
148.04730	3.4
149.09610	0.5
149.13292	0.3
151.11122	0.3
155.10648	0.5
157.10104	0.3
161.09579	0.3
163.07471	1.4
165.05431	2.3
165.09096	12.5
166.09349	0.4
181.08533	0.3
183.10092	0.3
201.11145	0.3
212.08125	0.2
217.12273	0.4
235.09410	0.3
245.11813	0.5
263.12869	0.6
273.11130	0.4
290.16226	0.2
291.08667	5.3
291.12155	1.0
292.08856	0.3
309.09952	2.0
309.13281	31.3
310.13672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.3
55.01856	0.7
55.05498	3.2
56.80045	0.4
57.03425	3.4
57.07059	0.5
59.04998	0.5
61.02914	0.7
65.03922	0.5
66.93719	0.4
67.05491	5.4
69.03420	4.4
69.07049	3.0
71.04980	8.8
71.62755	0.5
73.02894	1.4
73.06501	0.4
75.04475	4.2
79.05474	1.7
81.03405	10.7
81.07040	8.3
83.04977	3.6
83.08578	0.7
85.02891	31.8
85.06505	0.9
87.04424	0.7
89.49677	0.3
91.05469	8.0
93.07027	2.9
95.04953	2.1
95.08592	5.4
95.09173	0.7
97.02851	2.5
97.06507	1.1
97.10156	0.9
99.04439	1.8
99.08081	0.6
101.06013	1.1
103.03893	0.4
105.07003	2.0
107.08585	3.3
109.02864	7.3
109.06472	1.1
109.10146	8.0
110.03641	1.3
111.04440	2.2
117.03362	1.0
117.06999	0.6
119.04926	20.5
119.08517	1.8
121.10114	1.7
123.08058	0.6
123.11694	1.7
125.02347	0.8
125.09624	0.8
127.03893	4.1
129.05467	7.6
129.06976	0.5
131.08553	0.9
133.10103	1.0
135.04376	0.7
135.08032	3.0
135.11681	1.0
135.39879	0.3
137.08630	0.7
137.09592	7.5
138.25520	0.4
143.08519	0.9
145.02795	2.8
145.04951	0.5
145.10097	0.8
147.04387	100.0
147.06441	5.1
147.11678	0.7
148.04716	1.9
149.13260	1.5
151.11140	0.6
157.10126	0.8
159.11641	0.5
161.09608	0.6
163.03874	4.7
163.07518	0.6
163.11169	0.7
165.05482	2.6
165.09081	5.4
165.12791	0.4
171.11617	0.9
177.05447	5.5
181.08713	0.6
185.13248	0.6
190.98459	0.5
199.04251	0.5
218.97961	1.1
225.24728	0.4
260.00534	0.4
267.06540	1.0
291.08572	7.6
291.11786	0.4
291.19699	0.7
291.26764	0.8
309.09787	1.3
309.13361	11.4
309.21881	1.6
309.27740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01857	0.2
55.05503	0.8
57.03420	0.3
57.07079	0.2
65.03926	0.4
67.01836	0.1
67.05499	3.2
69.03425	1.0
69.07065	1.0
69.90026	0.9
71.04977	0.4
79.05474	0.7
79.73940	0.1
80.91203	0.1
81.03409	3.8
81.07048	3.2
83.04981	0.6
83.08551	0.1
83.17868	0.1
85.02892	1.1
89.16872	0.1
91.05465	4.0
92.05815	0.2
93.07048	0.5
94.73142	0.1
95.04956	0.5
95.08599	1.0
97.02867	1.3
97.06520	0.2
99.04424	0.3
99.08098	0.2
105.07002	0.4
107.04922	0.1
107.08597	1.0
109.02870	4.2
109.06502	0.3
109.10143	6.2
110.03692	0.7
111.04438	0.8
111.11697	0.5
119.04926	14.7
119.08558	0.4
120.05247	0.5
123.11666	0.2
125.02312	0.8
126.03111	0.3
127.03904	1.9
129.05496	0.2
129.12749	0.8
135.08044	1.7
137.05930	0.4
137.09595	6.3
138.09969	0.2
147.04390	100.0
148.04724	4.1
148.05922	0.2
155.10617	0.2
163.07492	0.4
165.05446	1.0
165.09085	5.1
166.09401	0.2
177.21915	0.1
182.15436	0.3
183.10132	0.2
185.11324	0.1
201.11272	0.2
245.11574	0.2
263.12585	0.1
291.08615	0.6
291.11893	0.2
309.09665	1.3
309.13242	9.9
309.24399	0.2
310.13522	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
54.39827	0.4
55.01851	0.8
55.05504	2.9
57.03424	4.8
59.04981	0.9
61.02912	1.2
65.03945	0.7
67.05495	3.7
69.03420	4.4
69.07059	3.5
71.01324	1.0
71.04980	11.1
71.62658	0.7
73.02914	2.6
75.04465	6.1
79.05470	1.6
81.03407	9.5
81.07041	7.7
83.04630	0.3
83.04980	3.1
83.08602	1.0
85.02889	48.1
85.06525	0.7
86.03197	0.4
87.04441	0.8
89.03864	0.4
91.05463	8.2
93.07022	3.1
95.04948	1.5
95.08587	4.3
97.02872	3.2
97.06512	1.0
97.10148	1.0
99.04446	1.9
101.05984	1.0
103.03948	0.4
105.07016	2.0
107.04953	0.6
107.08549	3.1
109.02857	5.8
109.06528	1.1
109.10129	7.0
110.03634	0.7
111.04439	1.7
111.08049	0.6
111.30603	0.4
111.52209	0.4
112.80600	0.4
117.03387	1.0
119.04922	20.3
119.08537	1.3
121.06434	0.5
121.10117	1.7
123.04406	0.4
123.08067	0.7
123.11667	1.8
125.02348	0.6
125.09595	0.8
127.03912	3.6
129.05466	11.5
131.08563	0.7
133.10135	1.2
135.04425	0.5
135.08018	1.6
135.11647	1.3
135.97876	0.4
137.05907	0.7
137.09563	4.4
139.11162	0.7
143.08557	0.5
145.02820	4.2
145.04913	0.8
145.10107	0.8
147.04384	100.0
147.06465	7.8
147.11641	1.5
148.04753	2.3
149.13284	0.5
149.94489	0.4
156.99620	0.4
157.10083	0.7
161.13219	0.5
163.03908	3.0
165.05479	2.8
165.09045	4.0
171.11639	0.7
177.05444	7.4
189.12747	0.4
199.04324	0.5
217.15771	0.4
218.98010	1.2
236.84801	0.4
262.64813	0.4
267.06485	0.6
273.18472	0.6
277.08395	0.6
291.08569	7.1
291.19644	0.8
291.26871	0.5
309.09875	1.3
309.13403	8.1
309.22147	1.3
309.27963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01865	0.5
55.05505	2.8
55.08305	0.4
57.03431	4.9
59.04993	1.0
61.02914	0.7
65.03945	0.6
67.05494	4.7
69.03417	3.9
69.07047	3.1
71.01333	0.4
71.04987	11.3
71.62600	0.4
71.62971	0.5
73.02908	3.0
75.04471	5.9
79.05476	1.6
79.78631	0.4
80.66960	0.3
81.03407	8.8
81.07043	6.7
83.04977	3.7
83.08604	1.0
85.02893	45.2
85.06534	0.8
86.06026	0.4
87.04456	1.3
91.04956	0.6
91.05466	7.6
93.07036	3.4
95.04949	1.3
95.08595	3.6
97.02888	3.5
97.06522	0.6
97.10155	0.9
99.04454	2.1
101.05943	0.9
103.03933	0.4
105.07018	1.5
107.08568	2.2
109.02864	6.2
109.06522	1.0
109.10135	6.2
110.03667	0.6
111.04455	2.0
113.06032	0.4
117.03392	0.6
117.06974	0.7
119.04927	19.7
119.08591	1.8
121.10118	1.2
123.04447	0.9
123.08030	0.4
123.11671	1.6
125.09616	0.7
127.03896	3.7
129.05469	11.1
131.08569	0.5
133.10069	0.8
135.04420	1.0
135.08043	1.8
135.11664	0.8
137.05962	0.6
137.09590	4.2
137.13222	0.6
145.02812	1.4
145.04907	0.5
145.10109	0.7
147.04390	100.0
147.06453	6.6
147.11659	1.1
148.04727	2.9
149.13162	0.5
151.45992	0.5
157.10057	0.6
163.03856	4.4
163.07565	0.6
163.11137	0.4
163.14830	0.8
165.05426	2.6
165.09055	3.8
171.06555	0.4
173.13258	0.5
177.05464	2.6
177.16194	0.4
199.04285	0.4
200.97079	0.5
210.64825	0.5
218.98016	1.0
255.08698	0.6
267.06601	0.5
273.18460	0.6
281.11710	0.7
291.08624	5.8
291.11765	0.5
291.19528	0.8
291.23300	0.5
309.10196	1.1
309.13300	7.1
309.21768	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	0.3
65.36681	0.2
69.03413	0.4
71.05457	0.4
71.05791	0.4
79.20850	0.2
81.03401	0.6
84.78373	0.2
85.02885	0.4
91.05470	3.8
97.02887	0.8
99.04473	0.2
109.02879	0.3
119.04929	14.2
120.05279	0.3
127.03923	0.3
140.70212	0.2
147.04391	100.0
147.61189	0.2
148.04738	2.4
165.05402	1.1
183.13896	0.2
291.08578	0.7
309.09610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.01839	0.2
55.05510	0.5
65.03931	0.5
67.05491	2.2
69.03421	0.5
69.07069	0.3
69.87238	1.0
69.87646	0.4
71.04993	0.3
79.05482	0.4
81.03394	2.5
81.07041	2.7
83.04963	0.5
85.02897	0.4
91.05468	3.8
91.06001	0.3
93.07036	0.5
95.04974	0.3
95.08590	0.7
97.02881	0.8
97.06493	0.2
99.04382	0.2
107.08580	0.8
109.02854	3.9
109.06527	0.5
109.10139	4.9
110.03646	0.7
111.04439	0.7
119.04922	13.0
120.05278	0.3
123.04556	0.2
125.02315	0.5
125.06030	0.2
127.03887	1.3
135.08037	1.6
137.05931	0.3
137.09593	4.6
137.42914	0.2
139.87317	0.2
147.04382	100.0
148.04723	2.5
151.54904	0.2
155.10619	0.4
156.93190	0.2
161.35020	0.2
163.07486	0.4
165.05458	0.8
165.09081	3.9
217.12279	0.3
291.08627	0.2
291.12286	0.3
298.81238	0.2
309.09595	1.4
309.13205	8.6
330.97504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20913	0.2
59.33999	0.2
65.03938	0.2
69.03415	0.3
69.56274	0.2
70.77763	0.3
70.78134	0.4
71.46149	0.2
79.05492	0.2
81.03394	0.4
83.41966	0.2
85.02849	0.3
91.05461	3.4
91.84144	0.1
97.02866	1.1
119.04921	14.9
120.05259	0.3
127.03912	0.2
144.83984	0.2
147.04384	100.0
148.04715	2.0
165.05458	0.7
171.28903	0.2
171.59430	0.2
207.63362	0.2
291.08710	0.6
309.09659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.3
53.03938	1.7
55.01862	0.6
55.05505	1.3
57.03434	1.3
57.07066	0.5
61.02927	0.3
65.03931	0.9
67.05499	2.1
68.89174	0.2
69.03072	0.3
69.03420	4.8
69.06711	0.3
69.07055	2.8
70.73900	0.7
71.05001	1.3
73.02911	0.5
79.05482	1.2
81.03407	17.0
81.07044	3.7
81.38997	0.2
82.03756	0.2
83.04963	0.5
83.08604	0.8
85.02890	4.9
85.06516	1.0
91.05464	7.6
93.07020	1.5
95.04934	0.8
95.08590	2.6
97.02869	1.3
97.06503	0.5
97.10156	0.6
98.98450	0.3
99.04443	1.6
99.08036	0.2
105.06999	1.0
107.04955	0.3
107.08588	1.6
109.02866	7.4
109.06523	0.6
109.10138	3.5
111.04416	0.5
111.08063	0.5
111.11703	0.7
113.05969	0.7
119.04928	22.6
119.08537	0.5
120.05213	0.6
121.06515	0.3
121.10123	0.9
123.11728	1.1
125.09570	0.3
127.03908	1.8
127.07568	0.2
131.08592	0.4
133.10106	0.5
135.08015	0.6
135.11647	0.4
137.09598	2.3
137.13249	0.4
139.11154	0.4
145.10103	0.5
147.04388	100.0
148.04733	2.0
149.13254	0.5
150.44841	0.3
151.11101	0.2
153.12885	0.3
155.68271	0.2
161.09550	0.3
163.07649	0.3
165.05453	3.3
165.09050	1.5
171.11673	0.2
177.52588	0.2
249.07613	0.7
267.06516	0.7
273.18527	0.3
291.08582	18.3
291.19543	0.4
291.22900	0.4
291.26474	0.3
292.08984	0.6
309.09735	2.2
309.13345	3.4
309.21127	0.4
309.27823	0.9
312.02219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56646	0.2
61.73796	0.2
65.03931	0.2
69.03407	0.6
69.82211	1.1
75.40594	0.2
81.03394	0.6
85.02892	0.2
86.81764	0.2
91.05472	4.0
97.02888	1.0
98.20758	0.3
105.06985	0.2
109.02863	0.4
119.04924	14.2
119.60180	0.2
120.05273	0.2
127.03918	0.3
140.30960	0.2
147.04387	100.0
148.04721	2.4
165.05461	0.9
291.08615	0.6
309.09665	1.6
309.13086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01383	0.1
52.76517	0.1
54.14198	0.1
60.93070	0.1
65.03927	0.3
69.03397	0.3
69.44365	1.0
69.44783	0.4
91.05459	4.0
97.02863	1.3
98.20676	0.3
109.02829	0.2
119.04916	15.0
120.05242	0.3
121.94885	0.1
127.03864	0.2
134.55319	0.2
147.04378	100.0
148.04709	2.1
150.40407	0.1
158.30287	0.1
165.05415	0.7
275.87363	0.2
309.09665	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.4
69.03413	0.2
70.79572	0.4
72.53808	0.1
81.03371	0.1
91.05470	2.8
97.02869	0.8
119.04928	12.9
120.05273	0.3
127.03878	0.2
147.04390	100.0
148.04723	2.3
165.05510	0.8
169.92766	0.1
178.27100	0.1
179.97855	0.2
222.05302	0.1
291.08792	0.2
309.09711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
56.53520	0.1
65.03938	0.5
67.05482	0.6
69.03413	0.3
71.04977	0.3
78.11447	0.1
79.05466	0.2
81.03403	1.3
81.07046	0.9
85.02877	0.3
91.05462	3.6
93.07004	0.3
95.04949	0.2
95.08593	0.4
97.02874	0.9
98.21543	0.2
99.04359	0.2
105.06997	0.1
107.08641	0.2
109.02861	1.3
109.10142	1.2
110.03640	0.2
119.04923	13.5
120.05254	0.2
127.03841	0.9
135.08078	0.3
137.09587	1.3
142.55963	0.1
147.04385	100.0
148.04733	2.5
165.05492	0.9
165.09076	0.9
191.90411	0.2
213.15520	0.2
239.51176	0.2
291.08633	0.8
291.11566	0.2
309.09689	1.3
309.13300	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.2
61.80954	0.2
65.03926	0.4
66.81475	0.1
69.03420	0.9
69.76608	0.2
71.04984	0.2
71.41766	0.4
81.03403	2.6
85.02891	1.1
91.05472	5.3
92.05843	0.2
95.04968	0.2
97.02873	1.3
99.04468	0.3
100.47384	0.2
105.76042	0.1
109.02842	1.1
119.04929	16.1
119.74735	0.2
120.05289	0.3
127.03921	0.4
147.04393	100.0
148.04712	2.7
160.72005	0.2
165.05466	1.2
191.02534	0.1
199.47525	0.1
291.08572	2.8
300.25549	0.2
309.09650	1.6
310.10248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2215
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
53.03958	0.2
55.01863	0.2
55.05486	0.3
57.07051	0.5
67.05481	0.6
69.07053	0.8
69.40813	1.6
71.08613	0.5
78.82704	0.2
79.05474	0.7
81.07043	1.9
82.07332	0.2
85.10129	0.1
91.05466	0.5
93.07018	0.5
94.04178	1.4
95.04945	0.4
95.08584	0.6
97.10160	0.2
99.08099	0.3
105.03382	0.2
105.07037	0.2
107.04936	0.2
107.08584	0.5
109.06488	0.6
109.10113	0.2
111.11653	0.2
114.98361	0.2
119.08545	0.3
122.03632	4.9
123.08109	0.2
128.10677	0.4
137.05954	100.0
137.13225	0.4
138.06294	2.6
147.04375	0.5
147.11609	0.1
153.12689	0.2
155.14294	0.3
165.12717	0.3
172.16940	1.3
184.16942	3.0
184.18471	0.3
226.87422	0.2
291.23172	1.3
308.22394	0.6
308.25732	0.7
308.29086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.2
55.01865	0.2
57.03419	0.3
61.02923	0.8
62.27732	0.1
69.03417	1.4
69.52260	1.1
69.78484	0.1
71.04996	0.2
73.02898	0.3
81.03415	0.7
83.04948	0.4
84.04507	0.1
84.08125	0.4
85.02412	0.2
85.02895	3.7
85.08456	0.3
87.04472	0.2
91.03944	0.4
91.05440	0.2
97.02867	1.1
99.04472	0.2
109.02852	0.4
119.04960	0.3
124.07833	0.1
127.03890	0.7
129.05449	0.5
145.04951	0.6
145.14781	0.1
146.05988	100.0
147.04411	2.2
147.06297	1.7
210.00876	0.1
216.14313	0.3
244.17343	0.5
271.65475	0.1
308.11240	4.5
308.16833	0.2
309.11496	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2261
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	5.6
54.17073	1.4
55.01861	11.0
55.05501	25.3
55.97707	1.5
57.03418	7.3
57.07064	4.7
59.04984	1.7
65.03927	3.3
67.05492	64.0
68.05840	1.9
69.03410	6.4
69.07054	42.6
71.04984	3.8
71.62730	1.6
71.63116	2.1
74.07986	1.4
79.05476	39.9
81.03419	5.3
81.07041	85.1
82.07362	1.8
83.04958	7.8
83.08600	11.7
85.06524	5.8
91.05465	44.9
93.07024	42.9
95.04952	37.9
95.08585	51.1
97.06502	18.9
97.10159	5.4
98.06023	2.9
99.08073	3.6
105.07008	48.2
106.07303	2.5
107.04955	7.6
107.08573	30.5
108.05254	1.5
109.06506	19.7
109.10137	27.1
111.08078	5.3
117.07009	11.5
119.08554	48.7
121.02890	1.9
121.06514	6.9
121.10122	21.0
123.08040	20.9
123.11694	6.8
125.09586	2.9
128.06261	1.9
129.06981	5.8
130.06505	1.9
131.08527	20.3
132.08908	1.9
133.06514	2.1
133.10110	30.0
135.08011	9.6
135.11681	11.8
137.05925	4.7
137.09575	13.9
137.13252	2.6
138.06302	2.4
139.11166	3.5
143.08536	4.2
145.10115	21.3
147.11668	26.7
149.09587	12.9
149.13269	5.1
151.11195	8.3
151.49454	1.5
155.08572	4.4
157.10124	6.4
158.05981	1.9
159.11673	17.4
161.09608	2.9
161.13251	8.0
163.11151	8.1
163.14830	3.1
165.12746	8.1
169.10098	5.5
171.11681	6.6
173.13219	14.3
175.11156	4.6
177.12714	4.3
183.11670	8.7
185.13295	2.8
187.11166	2.4
187.14798	2.5
189.12813	1.9
191.14310	2.8
193.12259	3.1
197.13229	5.2
201.12685	5.2
207.13844	4.9
209.13216	2.0
211.14824	2.6
219.13811	3.3
219.17459	2.9
223.14952	2.0
229.19518	5.2
233.15340	2.8
239.17946	5.0
247.20558	7.0
251.16389	2.1
257.18912	14.1
275.20013	100.0
276.20377	6.8
279.23346	1.6
289.18463	2.2
289.21588	19.0
290.21848	2.1
307.22791	50.4
307.28207	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1897
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01872	9.5
55.05255	2.4
55.05504	36.8
57.03430	29.1
59.04994	2.0
65.03930	1.6
67.02850	1.5
67.05494	30.4
69.03414	5.6
69.07060	13.6
69.97613	3.0
69.98022	7.4
70.57448	1.5
70.81359	1.5
71.04967	2.5
73.86946	1.4
79.05482	31.5
81.03407	4.0
81.07050	25.4
83.04967	6.1
83.08610	13.6
85.06532	3.9
91.05470	21.4
93.07030	20.1
95.04955	11.5
95.08579	10.1
97.06484	4.1
97.10160	26.5
98.21439	1.7
99.04452	2.0
99.08074	2.4
101.09628	1.8
105.03390	1.7
105.07011	16.2
107.04936	17.8
107.08574	21.0
109.06499	9.2
109.10149	11.5
111.08039	2.4
115.05441	2.3
117.06981	10.0
119.08572	19.5
121.02859	4.7
121.06507	9.0
121.10136	5.9
121.62692	1.6
122.23128	1.7
123.08021	2.5
123.11667	2.5
125.09602	20.1
129.07010	7.0
130.06477	2.5
131.04964	4.0
131.07666	1.4
131.08549	10.0
133.06497	2.3
133.10104	5.2
135.08034	18.5
135.11711	3.0
137.06023	2.2
137.09599	6.2
141.07005	3.1
143.08513	5.8
145.06456	3.7
145.10114	6.8
147.08043	6.0
147.11674	2.8
149.09592	2.5
149.13249	3.4
153.09084	6.5
155.08557	5.4
157.06427	2.1
157.07674	2.5
157.10114	6.5
159.08037	53.3
159.11691	4.8
160.08653	3.3
161.09590	7.3
163.07513	6.6
163.11166	2.2
165.12805	3.1
166.13077	3.1
167.08540	2.4
169.10103	4.6
171.10249	1.8
171.11678	6.2
173.09627	4.3
173.13235	5.5
177.09108	3.1
181.10016	3.4
183.11668	2.9
185.09596	4.3
185.13266	2.6
187.14825	5.6
189.11186	11.2
189.12700	3.1
195.11649	2.5
197.09488	1.8
197.13242	4.6
199.11119	2.3
199.14853	2.0
211.11160	3.1
215.14259	9.5
223.14865	3.0
231.13890	1.6
233.13167	2.7
233.15315	21.1
235.14886	1.7
237.16501	1.8
239.18011	1.7
243.17398	2.9
253.15819	8.5
261.18457	2.9
271.16904	31.2
289.17926	100.0
290.18393	3.8
290.21564	3.1
307.09689	3.5
307.13000	3.0
307.20297	10.0
307.24268	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	307.1898
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03933	6.9
55.01856	9.8
55.05504	37.6
56.95625	3.1
57.03427	70.5
57.07057	4.4
59.04972	4.0
62.97306	2.6
67.05495	47.0
67.86384	2.7
68.88177	2.5
69.03410	4.9
69.07050	20.7
71.04987	6.8
73.06573	3.5
79.05476	41.0
79.63889	3.0
81.03403	7.0
81.07037	41.8
83.04961	68.7
83.08605	10.5
85.06531	8.4
91.05470	53.5
93.07018	45.2
95.04955	20.7
95.08597	42.4
97.06517	8.0
97.10130	5.2
99.04430	9.6
99.08057	4.2
103.05468	3.6
105.07010	43.9
107.04935	85.4
107.08579	24.3
108.05700	3.4
109.06493	32.2
109.10124	20.3
109.14142	3.1
111.04417	50.1
111.08065	6.3
113.06013	4.7
117.06989	24.6
119.04906	4.5
119.08561	31.5
121.02875	7.9
121.06487	19.3
121.10108	16.5
123.04456	4.1
123.08029	13.6
123.11671	5.1
125.05980	9.4
129.06938	14.7
131.08559	24.2
133.06454	11.2
133.10094	25.9
135.08023	21.6
135.11665	11.5
137.05943	73.4
137.09590	8.6
138.06296	50.9
139.07516	3.1
142.07846	3.5
143.08528	10.9
145.06479	9.0
145.10103	17.4
146.07240	3.0
147.08038	15.1
147.11644	9.9
149.06015	10.8
149.09630	7.0
149.13261	4.8
151.07516	5.0
151.11189	4.1
155.08540	10.8
157.10074	9.9
159.08034	17.7
159.11682	9.7
161.09549	15.6
161.13255	5.3
163.07507	9.8
163.11157	16.2
165.09114	4.6
165.12752	5.5
166.13049	4.5
167.08496	3.6
169.10071	9.6
171.07999	4.1
171.11662	9.1
173.09598	10.4
173.13208	4.4
175.11205	4.5
177.09067	4.9
177.12714	29.7
178.13445	3.7
179.06970	5.4
183.11571	5.7
187.11188	6.0
187.14738	8.4
189.09103	3.5
189.12718	7.2
191.14220	3.6
197.09534	3.8
197.13310	5.2
199.11098	5.9
201.12753	4.1
205.15898	14.4
209.13133	2.8
215.14291	11.8
217.12187	4.6
225.16393	6.5
233.15338	46.2
243.17351	15.0
253.15813	6.8
261.18414	43.4
271.16858	26.4
275.20035	8.9
289.17947	100.0
289.21252	6.9
290.18582	3.7
290.21838	7.1
307.09769	8.6
307.20120	5.8
307.24158	12.9
326.57214	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	306.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02946	0.4
67.05485	0.4
68.53239	0.2
69.07055	1.2
69.47701	2.0
79.05479	0.5
81.07030	0.7
85.71270	0.2
91.05437	0.5
93.07068	0.3
94.04181	1.6
94.14719	0.2
97.06543	0.3
98.20692	0.3
105.06978	0.2
107.08572	0.6
109.10152	0.5
114.09164	0.4
122.03632	5.0
126.09122	0.6
133.10104	1.0
135.11664	0.9
137.05954	100.0
138.06248	1.2
151.11113	0.4
153.12712	1.0
170.15388	1.9
182.15376	3.2
187.22516	0.2
239.32402	0.2
264.84869	0.2
306.20526	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1283
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
55.01856	1.2
69.03422	0.4
69.07052	0.4
69.80730	2.0
77.39069	0.3
79.05463	0.6
81.03400	0.7
85.02903	0.3
92.11714	0.3
93.06995	0.5
94.06526	0.6
95.04933	0.3
98.06011	0.8
98.21461	0.6
107.04913	0.5
107.08574	0.8
108.04457	0.9
109.02891	0.4
120.04441	0.6
122.05990	1.8
123.04411	0.4
124.07564	0.7
133.06456	0.5
135.08034	1.6
136.07559	0.9
138.05444	0.3
140.07021	1.4
148.07561	0.3
150.05402	0.4
150.09105	0.4
152.07104	0.3
156.07997	0.5
158.09604	0.3
159.09131	0.4
160.07524	1.3
162.08946	0.3
163.03870	0.6
163.08609	1.0
166.04790	0.4
168.06529	2.4
170.09540	0.4
174.09108	1.8
175.08754	0.4
176.07031	0.5
176.10658	0.5
177.10220	1.3
178.08615	12.4
182.08101	0.7
184.07573	1.6
187.08641	1.0
188.07092	2.6
189.10133	0.4
190.08578	0.5
191.08179	0.6
196.09709	0.3
198.09145	1.6
201.06624	0.4
201.10225	2.2
202.08611	4.8
204.10374	0.4
205.09734	2.8
206.08125	1.8
212.07002	0.8
215.08099	0.4
215.11732	0.5
216.06790	0.3
216.10220	2.7
219.07675	0.9
219.11237	4.6
220.09727	1.8
225.10374	0.4
226.08563	1.8
229.09714	4.9
230.08054	3.0
243.11215	1.5
244.09702	3.2
247.10756	10.3
247.13208	0.7
248.09117	0.8
254.08118	0.7
261.12256	1.4
262.10684	1.8
265.11807	11.5
271.10709	1.2
272.09158	1.1
277.15570	0.3
278.71182	0.3
289.11761	14.3
290.10046	0.7
307.12830	100.0
308.13242	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23640	0.3
53.03938	0.5
53.51276	0.4
55.01862	0.5
55.05494	0.5
56.05024	1.2
57.03424	0.6
58.06590	3.0
61.02908	0.6
61.72320	0.4
68.05018	0.4
69.03413	2.6
69.07046	0.8
69.48673	1.1
69.49092	2.0
70.06579	0.9
71.04964	0.9
73.02911	0.7
81.03397	1.0
81.07047	1.6
83.04979	1.0
84.04493	16.6
84.08130	73.7
85.02894	4.7
85.06535	0.7
85.08465	1.0
86.06055	4.6
86.09697	4.5
88.03960	1.1
91.05461	0.4
93.07054	0.6
95.04914	0.4
97.02897	1.8
98.20747	0.8
99.04397	0.6
99.08084	1.2
108.04453	0.5
109.02869	0.7
109.06514	0.6
109.10106	0.5
111.04421	0.4
113.07153	0.4
115.07568	0.8
119.04916	0.5
119.08539	0.5
121.02901	0.4
122.06017	0.6
123.04362	0.7
126.00206	0.3
127.03905	1.5
127.07525	2.3
127.11111	0.4
128.06136	0.4
129.05469	0.8
130.06500	8.3
130.08618	1.0
132.04430	2.6
136.06174	0.6
139.03932	0.5
140.07089	0.9
141.13849	4.5
145.05006	1.6
145.08572	1.6
146.05986	100.0
147.04376	0.6
148.61292	0.4
157.06346	0.7
157.07584	7.3
158.05994	10.6
158.07925	0.4
163.03856	0.9
169.13356	6.3
173.05824	0.4
173.07104	0.4
175.08662	5.2
198.09500	0.4
198.11227	1.3
201.06577	0.6
201.12471	0.6
203.08118	0.9
215.13876	28.5
216.14142	0.7
243.07588	1.4
243.17006	37.6
244.17284	1.2
245.08078	0.7
261.08685	5.5
262.11078	2.2
289.07916	1.9
289.11349	0.7
307.09235	1.2
307.12872	1.1
307.16824	20.6
308.11304	4.8
308.16873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.4
55.05493	0.8
55.09546	0.6
56.96544	1.3
57.03408	1.5
59.14452	0.6
60.05614	2.8
61.02903	1.6
61.82286	0.6
67.01847	0.9
67.05490	1.3
68.99772	0.8
69.03417	5.5
69.07047	1.7
69.74522	3.7
69.87796	0.6
70.06581	9.4
71.04973	2.4
71.06889	0.9
72.08128	1.3
72.93777	0.7
73.02896	1.6
74.06069	1.3
79.05461	2.0
81.03384	2.6
81.07033	2.0
82.99837	1.1
83.04972	1.6
84.04502	1.2
84.08113	0.9
85.02890	9.1
86.03239	0.9
87.04480	0.7
87.07957	1.6
91.05463	0.9
95.04926	1.5
97.02880	8.7
97.06545	0.7
98.06018	0.8
98.21469	1.2
98.97552	2.3
99.04382	1.6
100.52480	0.7
101.00853	12.1
103.05464	0.9
105.07016	1.1
109.02856	2.0
111.04417	1.3
112.07571	0.9
113.00842	2.9
114.05499	1.1
114.10259	0.9
115.02350	1.0
115.05386	0.8
116.07067	2.4
116.98586	1.9
119.01901	47.5
120.02009	1.5
121.02812	1.8
121.06457	0.8
123.04419	9.9
124.02477	0.7
124.07577	10.8
125.02314	2.4
125.05963	0.8
125.07925	12.9
127.02375	0.6
127.03876	4.9
128.98538	0.9
130.05002	0.8
130.06516	7.0
130.09732	5.2
131.01883	23.0
132.04434	0.8
133.03471	1.0
137.01978	0.8
137.02950	9.4
139.03874	1.4
140.07043	1.2
142.03436	1.0
142.08607	5.8
143.01878	26.7
143.03331	3.4
143.07072	1.4
143.08954	5.5
144.01952	1.0
144.06505	0.9
145.03447	5.7
145.04893	1.3
146.05983	2.7
147.04393	2.0
149.02342	7.6
149.05962	1.1
151.03874	0.7
153.01813	16.1
155.01869	8.9
156.04424	2.2
156.10088	1.4
157.03430	4.2
157.07613	0.9
158.05986	18.7
158.09267	0.8
159.01419	0.9
159.06361	0.9
160.07565	1.4
161.02937	100.0
162.03072	4.5
163.04517	1.5
167.01889	2.0
167.03366	1.8
167.07028	2.2
169.03481	1.2
171.02899	4.2
173.02948	23.7
173.07066	7.6
174.03117	0.9
174.05411	1.4
175.04491	2.7
175.11893	1.9
177.00729	0.9
177.05498	1.0
179.04041	4.2
184.04491	3.6
184.07509	5.1
185.02931	9.8
185.06509	1.5
186.09230	2.4
187.04510	2.8
190.58853	0.7
191.03983	9.7
192.04338	0.7
195.02882	2.9
196.04631	0.9
197.02957	9.4
198.03148	1.1
200.09134	4.5
201.06441	1.0
202.04991	1.5
202.08618	1.3
203.03993	24.4
203.05542	0.9
203.07582	2.0
204.04208	1.3
209.08249	1.0
212.07056	2.0
213.05403	2.5
214.05809	0.9
215.04019	5.7
215.07590	4.4
221.05026	5.2
228.08664	1.4
230.08128	3.1
231.06586	5.0
232.09631	1.0
233.04858	0.9
233.08716	6.7
237.02782	1.5
243.07431	1.1
244.09785	0.8
244.77455	0.7
245.05043	5.6
246.05238	0.8
259.06177	7.5
259.09641	0.6
261.08841	1.3
261.12332	2.5
263.06104	2.7
263.09778	1.1
264.06619	0.8
267.22809	0.8
275.09726	1.2
276.08612	7.5
287.05579	2.4
287.10413	0.9
287.13489	4.7
288.08649	1.7
294.07660	1.0
305.10852	82.8
305.14529	11.5
306.11014	4.9
323.09985	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
54.76727	0.4
55.01872	0.8
56.96538	1.3
57.03428	1.5
60.05641	1.3
60.59568	0.4
61.02915	2.4
63.55083	0.4
69.03419	6.6
70.06577	2.3
70.18889	2.3
71.01320	0.9
71.04987	1.0
72.08127	0.8
73.02908	1.4
81.03428	3.1
82.99843	0.7
84.08147	0.8
85.02893	17.4
87.04465	0.8
87.07981	1.0
91.03929	1.2
95.04992	0.7
97.02881	27.6
98.97566	2.1
99.04449	1.7
101.00870	3.0
103.02459	0.7
107.04883	0.5
109.02853	1.5
113.00864	1.1
116.07035	0.5
116.98636	1.9
117.03989	0.7
119.01904	9.1
121.01701	0.9
121.02844	4.0
123.04401	2.0
125.02336	100.0
127.02413	0.6
127.03899	4.9
130.09752	1.6
131.01878	4.7
133.03429	1.9
134.99629	1.3
136.06180	0.7
137.02946	1.5
141.05431	0.5
143.02008	2.7
143.03377	88.8
143.08173	1.7
144.13747	0.7
145.03479	3.3
145.04921	3.8
147.01366	0.7
149.02274	0.8
149.06593	0.8
151.02715	0.6
153.01785	2.1
155.01840	3.0
157.03403	2.6
158.97229	0.6
159.01414	0.6
159.03168	0.8
161.02951	11.5
161.06616	2.6
163.04495	0.6
166.91858	0.6
167.03398	0.6
173.02948	5.0
173.06662	1.0
175.04494	2.0
175.11981	0.7
185.02950	3.2
185.06516	0.7
187.04631	0.8
187.08141	0.7
189.02454	0.6
191.02333	0.5
191.03976	1.2
191.07756	0.6
197.02888	0.8
200.09163	1.7
200.98238	0.6
202.98717	0.9
203.04010	4.0
203.05826	0.8
203.07657	3.1
205.05458	0.8
207.03427	0.7
214.05792	1.1
214.55847	1.1
215.04007	0.9
215.07616	3.3
217.09109	1.1
219.01831	1.0
220.99796	0.6
221.05005	4.5
223.06618	1.4
227.07704	0.8
230.97992	0.7
231.06355	1.1
239.07590	1.2
243.03645	1.3
245.05104	3.8
259.06030	2.4
263.03204	0.6
263.06097	1.3
265.07559	0.9
287.09769	0.7
287.13489	1.6
305.03256	2.8
305.07120	1.4
305.10803	17.4
305.14478	3.7
306.10962	0.7
307.08508	0.9
323.03818	0.9
323.11429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0652
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.56707	0.8
55.01871	1.2
57.03427	0.7
64.39761	0.7
65.03945	1.1
67.01856	5.2
67.05501	1.4
67.86845	0.6
68.99772	4.9
69.03421	2.6
69.07066	3.4
69.58629	5.6
70.07385	1.2
71.05005	0.6
71.08623	1.8
72.08963	0.8
72.57299	0.6
75.41458	0.6
81.03400	2.0
82.03724	0.9
85.02890	6.8
86.02439	1.1
86.03233	2.6
91.36335	0.6
93.03399	0.8
95.04951	4.8
97.02901	5.6
97.06499	1.6
98.03217	1.5
105.03385	2.0
107.04949	1.3
111.00784	1.5
111.04440	4.7
114.09158	0.8
114.54845	0.6
115.09458	1.0
118.06875	0.7
121.02853	8.0
123.04414	62.0
124.04731	1.3
125.05939	0.7
125.09584	1.7
127.03893	12.4
128.04193	1.0
129.01859	0.9
129.06992	1.5
133.02834	2.8
135.04387	2.1
137.02328	2.3
139.03879	4.8
141.07033	0.7
142.08601	6.1
143.07065	1.4
143.08972	6.1
143.10660	1.7
145.04950	0.8
147.04404	1.2
149.02324	57.3
150.03081	2.0
151.03926	4.3
152.04424	0.8
153.01810	100.0
154.02234	1.3
157.06461	3.8
161.02286	5.3
161.05833	0.8
163.03821	0.9
167.03404	10.8
171.02873	15.1
171.04256	0.8
175.03894	1.3
175.07443	0.8
179.03365	3.9
184.09703	3.7
185.05939	6.7
185.10008	7.6
189.05417	0.8
195.02867	14.7
203.03418	3.3
203.06960	1.2
209.09924	1.5
213.05438	10.9
217.04895	1.1
231.06483	41.8
241.04956	5.3
245.04366	1.7
251.11040	1.7
258.05161	1.3
259.05994	53.9
260.06323	2.5
269.04474	0.7
287.05496	23.6
288.05695	1.1
305.06537	17.6
305.15125	1.3
306.06793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26057	0.8
55.01852	1.4
55.05503	1.1
57.03416	4.0
58.06581	1.2
60.04514	7.2
61.02902	3.5
69.03413	12.4
69.07054	29.3
69.73883	6.0
71.04981	1.4
71.08620	17.7
73.02906	1.3
79.63755	0.8
81.03397	6.3
83.08595	1.2
84.04504	2.6
85.02889	55.0
86.02396	3.8
87.04455	1.2
91.03927	1.3
96.08119	3.4
97.02874	34.4
97.06505	4.4
99.04450	2.2
103.03937	5.1
109.02853	9.3
110.02369	1.1
114.09148	16.8
123.04453	0.9
124.07565	1.2
127.03887	10.3
138.09134	2.9
138.53217	0.9
142.08603	100.0
143.08968	1.2
145.04939	8.0
156.10254	2.2
167.07053	1.5
168.07336	1.2
182.42696	0.8
184.09659	62.6
185.10042	1.2
208.09662	15.3
220.09656	1.4
222.11349	1.2
238.10770	1.6
250.10693	9.4
268.11539	1.1
286.12711	1.2
304.13895	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	304.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.05487	0.3
58.62345	0.3
61.02919	0.4
66.91908	0.2
67.05491	0.3
67.73190	0.2
69.03416	0.8
69.07061	0.4
69.75511	1.7
70.06595	0.5
70.10391	0.2
71.04967	0.3
73.02898	0.2
74.66618	0.2
77.03873	0.3
78.22838	0.3
79.05477	3.7
81.03397	0.6
83.04970	0.3
85.02889	2.7
87.03434	0.2
92.77169	0.3
95.04972	1.6
97.02870	1.0
98.06060	0.3
98.21397	0.5
105.04504	0.3
107.04937	100.0
108.05266	1.6
109.10083	0.3
113.05978	0.3
114.05505	0.5
121.02824	0.5
121.06536	0.3
123.04458	1.5
123.08038	0.3
124.07565	0.7
125.09607	0.8
127.03910	0.6
133.06479	0.3
137.02316	0.5
137.05972	4.0
138.06294	3.7
139.03917	0.5
140.06996	0.3
142.08604	0.6
143.10645	0.6
145.04961	0.4
149.02321	0.9
153.01823	2.1
184.08318	0.2
185.09166	0.3
212.07889	0.3
213.05489	0.5
231.06516	0.6
259.06024	0.8
269.83685	0.3
272.09985	0.4
286.03683	0.4
287.05698	0.5
304.05316	0.5
304.14224	0.9
304.17435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07372	0.3
53.03949	0.5
55.01865	0.5
55.05510	0.6
56.05016	0.3
57.03434	0.8
61.02924	1.0
68.05029	0.5
69.03422	3.5
70.06588	5.5
71.04990	0.6
71.11271	0.6
71.11639	0.3
73.02936	0.5
74.06077	0.4
79.05489	4.0
80.05019	0.3
80.63421	0.3
81.03405	1.6
81.05804	2.9
81.07050	4.7
82.02911	0.3
82.06585	1.9
83.04983	0.4
85.02898	6.7
86.06056	0.4
86.09695	0.8
87.04470	0.8
94.06572	1.1
95.04971	1.1
96.04478	1.3
96.08121	8.0
97.02882	2.5
97.06490	0.3
98.06088	0.6
99.04443	0.6
106.06555	0.9
107.04957	0.6
109.02908	0.8
111.04427	0.4
111.06339	0.3
112.07591	6.0
119.01957	0.3
119.02719	0.3
121.02866	0.5
122.06010	0.6
123.04417	0.7
124.07582	100.0
125.07892	1.9
127.03928	1.5
140.03346	0.3
140.07039	1.9
142.08623	43.7
143.08995	0.9
145.04942	1.1
149.02380	0.7
153.01846	1.0
157.13342	0.3
158.08156	0.9
161.02992	0.7
184.97267	0.3
185.09250	0.8
231.06519	0.5
259.06073	0.9
286.13440	1.2
304.14014	1.7
305.07016	0.3
305.11423	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.122
Annotation	4'-Hydroxy-3,3'-dimethoxy-4,5-methylenedioxybibenzyl
Peak:m/z	Relative Intensity
61.02906	0.3
68.05819	0.4
69.03409	1.1
69.07081	0.3
70.06559	0.9
71.05862	0.9
71.06908	0.3
79.05478	0.7
81.07040	0.5
82.90260	0.3
85.02889	1.4
85.63049	0.4
91.05465	1.2
94.04178	2.3
95.04961	1.0
97.02853	0.4
97.06516	0.5
103.05422	0.5
107.04932	4.9
107.59886	0.5
112.07561	0.7
113.06013	0.4
113.07898	1.0
119.04881	0.7
121.02840	3.0
121.06517	0.5
122.03636	6.6
123.08002	0.5
129.05414	0.4
131.04936	0.4
137.05952	100.0
138.06291	2.4
139.03876	0.4
140.07059	0.4
141.05464	0.7
141.07388	0.9
147.04408	0.7
151.03860	0.4
151.07501	1.1
153.05623	0.3
153.06946	1.4
155.08542	0.5
163.07590	0.3
165.05664	0.3
165.06978	0.9
167.07016	0.9
175.07573	0.4
179.07056	0.6
181.06392	1.7
183.08052	1.7
196.05276	0.4
206.08351	0.5
207.04453	0.4
209.06009	0.3
211.07516	0.9
213.05418	0.8
213.09044	0.6
225.09045	0.7
239.06949	0.4
239.11682	0.4
241.08626	0.5
243.10152	0.8
267.11273	0.7
271.09656	1.3
273.11172	0.6
275.13028	0.4
285.03842	1.6
285.11932	0.9
303.04965	0.9
303.08850	0.5
303.13809	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	304.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50410	0.7
53.00282	0.7
53.03938	0.9
55.01855	1.6
55.05486	1.1
57.03421	3.6
58.06577	1.1
60.04516	6.4
61.02927	3.5
67.01836	1.2
68.99786	1.5
69.03417	10.8
69.07056	33.9
69.78903	2.2
69.79320	2.6
70.07391	0.9
71.04967	1.3
71.08623	17.2
73.02891	1.9
74.37964	0.8
79.05489	0.8
81.03400	6.4
83.01335	0.9
83.04957	0.9
83.08585	1.0
84.04475	2.6
85.02891	52.8
86.02399	4.7
86.06059	1.0
87.04435	1.1
91.03952	1.1
95.04940	1.4
96.04488	0.8
96.08109	3.2
97.02876	34.4
97.06520	6.0
98.20734	1.2
99.04436	3.1
103.03923	4.8
109.02851	8.6
111.04427	2.2
114.09155	17.7
114.54043	0.7
115.58549	0.7
121.02843	1.8
123.04411	22.5
123.05304	1.2
127.03895	17.5
138.09125	2.5
139.03830	1.8
142.08611	100.0
143.09009	0.8
145.04935	7.2
149.02316	20.5
151.03920	1.4
153.01802	36.6
156.10178	1.8
157.06458	1.1
161.02354	1.7
163.06041	0.7
167.03365	3.9
171.02829	5.0
175.07498	0.7
179.03337	1.2
180.10248	1.3
184.09662	63.8
185.05963	2.2
185.10080	1.0
195.02875	6.7
203.03328	1.5
208.09654	14.6
213.05377	3.5
220.09592	1.1
231.06497	13.9
238.10704	2.0
241.04907	2.5
250.10733	8.0
258.05273	1.0
259.05984	17.8
268.11868	1.1
286.12997	1.4
287.05438	7.5
304.13843	4.4
305.06445	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1218
Annotation	Afzelechin 5,4'-dimethyl ether
Peak:m/z	Relative Intensity
51.02344	0.5
53.03949	0.6
55.01860	0.6
55.05502	0.9
61.02894	1.2
67.05477	1.4
68.05825	0.6
69.03423	3.2
69.07053	1.0
70.06570	1.2
70.28420	2.4
71.04949	0.7
73.02906	0.8
79.05468	1.8
79.38129	0.5
81.03395	1.4
81.07030	1.3
83.04961	0.5
84.08125	0.6
85.02886	6.1
86.03233	0.9
86.09682	0.9
91.05459	1.7
94.04167	1.9
95.04935	3.2
95.08583	1.5
96.05272	1.0
97.02869	3.0
97.06525	2.3
98.03182	1.4
99.04433	0.8
103.05453	1.1
105.03397	0.5
107.04933	40.0
109.02876	1.1
110.06028	0.7
111.04367	0.6
112.07574	3.1
113.05961	0.5
113.07912	1.4
119.04892	1.4
121.02837	6.7
121.06490	1.6
122.03629	6.5
123.04427	1.2
123.05494	1.0
123.08069	3.0
124.07558	0.6
125.09606	1.5
127.03896	1.9
131.04924	0.7
136.07494	0.5
137.05948	100.0
138.06323	2.5
139.03867	1.3
140.07051	5.4
141.03769	0.5
141.05429	1.7
141.06569	2.0
141.07538	3.2
141.09044	3.2
145.04887	0.8
147.04427	0.9
149.05902	1.3
151.03877	1.3
151.07532	2.1
153.01817	0.6
153.05487	1.2
153.06964	2.3
155.08549	1.1
163.07523	0.9
165.05634	0.6
165.07018	2.1
167.07022	1.6
168.05728	0.8
169.06374	0.5
181.06479	1.5
182.08107	1.4
183.08176	4.8
191.03398	0.7
193.06412	0.7
197.05959	0.6
206.08302	1.5
207.08377	0.9
211.07420	2.5
211.12280	0.8
213.05470	1.0
213.09006	0.7
215.10524	0.7
225.09169	0.9
228.07584	0.7
239.07167	0.8
239.11745	1.1
243.10194	1.9
253.08705	0.8
257.04437	0.6
257.12958	1.0
267.11267	2.5
271.09610	4.6
272.10260	0.7
273.11218	1.3
284.89359	0.6
285.03879	1.2
285.12234	3.4
303.05084	4.4
303.08777	0.7
303.14175	14.4
304.05222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.0
55.01851	0.3
64.31310	0.0
65.03926	0.4
66.67679	0.0
67.01857	0.3
67.05482	0.2
68.99776	1.5
69.00156	0.1
69.03405	0.2
69.57075	0.0
70.91164	0.1
70.91494	0.1
71.01346	0.1
74.28927	0.0
81.03408	0.5
81.07058	0.1
88.92167	0.0
91.05470	0.1
93.03394	0.6
93.07052	0.0
95.04960	0.6
95.08610	0.1
97.02846	0.1
105.03380	0.2
105.06999	0.1
107.01277	0.1
107.04935	0.1
109.02859	1.0
110.03661	0.1
111.00781	1.7
111.04401	0.1
115.05431	0.1
117.06989	0.3
119.04888	0.1
121.02843	1.9
121.06516	0.0
123.04401	0.7
127.03889	0.4
127.05332	0.0
128.06207	0.1
129.06969	0.1
131.04926	0.2
133.02829	0.1
133.06508	0.1
135.04404	0.4
137.02318	6.5
138.02652	0.1
139.03868	0.1
139.05400	0.1
143.04863	0.1
145.02820	0.1
145.06430	0.5
147.04448	0.1
149.02324	0.8
150.03223	0.0
151.03864	0.1
153.01799	8.9
154.02142	0.1
155.04878	0.7
155.06023	0.1
157.06470	0.1
159.04413	0.3
160.05156	0.1
161.05952	0.6
163.03896	1.1
165.01807	3.5
166.02592	0.5
167.03365	0.1
171.04373	0.1
173.02376	0.1
173.05951	1.3
174.06345	0.1
177.01802	0.2
177.05458	0.2
179.03351	0.3
183.02858	1.3
183.04405	0.8
184.03191	0.1
184.05031	0.1
185.05931	0.1
187.03891	0.7
189.05409	0.1
191.03378	0.3
191.07013	0.2
192.04065	0.1
193.04947	0.1
194.02063	0.1
195.02847	0.5
198.35036	0.1
200.04619	0.1
201.05432	3.8
202.05737	0.1
205.04956	0.4
207.02887	0.3
211.03864	0.3
213.05437	0.3
215.03354	0.2
216.04007	0.0
217.04971	0.1
218.05670	0.1
219.02940	0.3
219.06458	0.5
221.04373	0.1
228.04137	0.5
229.04918	8.6
230.05254	0.3
231.02547	0.1
232.03656	0.1
233.04553	0.1
239.03505	0.4
245.04547	0.2
246.05188	0.1
247.05972	1.3
247.08394	0.1
257.04401	4.8
258.04745	0.2
274.04666	1.4
274.07449	0.1
275.05368	0.4
285.03882	2.1
286.04568	0.2
303.04929	100.0
304.05276	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	303.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47263	4.4
60.17408	4.4
61.19610	4.5
69.03399	10.2
70.55668	14.0
70.56020	7.7
71.04967	8.7
85.02869	14.3
111.41265	5.1
119.01900	16.7
131.01891	6.9
140.03395	8.5
141.03746	7.7
141.06589	5.6
141.90782	5.1
156.97449	6.6
164.88818	4.9
174.98428	7.3
181.51225	5.6
198.98485	12.6
213.00052	11.7
226.03238	6.3
230.36113	5.2
233.44212	5.6
279.42453	5.5
303.02997	26.9
303.08231	100.0
303.15842	6.2
304.07944	11.8
321.04248	14.2
322.77252	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	303.107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09943	0.3
55.01852	0.9
55.05491	0.6
57.03418	1.0
59.37617	0.3
61.02879	0.5
65.03927	2.6
66.24923	0.3
69.03065	0.6
69.03419	7.4
70.06564	0.4
70.95773	1.0
71.04974	0.6
73.02888	0.6
79.05471	0.6
80.74526	0.3
81.03397	0.8
83.04969	2.9
85.02892	3.4
87.04449	0.9
91.03894	0.4
91.05479	0.7
94.04164	0.5
95.04953	1.0
97.02869	0.7
97.06458	0.5
99.04435	0.8
103.03918	0.9
105.07015	0.3
107.04936	0.5
111.04423	5.4
117.61755	0.3
121.02845	100.0
122.03613	1.3
123.04424	1.0
123.08006	0.7
127.03944	0.4
129.04588	0.6
129.05464	5.1
137.05956	26.4
139.03896	2.1
140.03387	0.5
140.07069	0.4
141.03743	0.6
141.05418	0.8
141.09077	0.7
142.08607	0.4
147.06473	3.1
149.05911	0.8
151.03822	0.5
151.07497	0.9
153.01868	0.4
153.05446	0.7
153.06827	0.4
161.46565	0.3
163.04050	0.3
163.07422	0.5
165.05557	0.4
165.07494	2.2
167.07059	1.0
179.07161	0.4
181.06430	0.6
182.16399	0.3
183.08029	0.7
197.05994	0.4
206.08382	0.4
211.07518	0.8
213.05388	0.3
221.10715	0.4
225.09029	0.5
238.10968	0.4
239.11723	0.4
243.10158	1.3
267.08591	0.8
267.11221	1.1
271.09537	1.4
285.03937	0.5
285.09634	0.9
285.12161	1.2
286.11526	0.5
303.04953	4.1
303.10443	0.6
303.14053	6.0
312.60837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.13293	0.1
53.03922	0.1
53.93151	0.1
55.01850	0.3
65.03918	0.5
67.01853	0.3
67.05469	0.2
68.99776	1.8
69.03408	0.2
70.59229	0.5
71.47012	0.1
80.43237	0.1
81.03394	0.5
93.03391	0.8
95.04958	0.7
95.14203	0.1
98.21452	0.1
99.80353	0.1
103.05492	0.2
105.03368	0.2
105.18445	0.1
107.01268	0.1
107.04934	0.2
108.28754	0.1
109.02853	1.0
111.00782	1.9
112.84680	0.1
117.06981	0.4
119.08574	0.1
120.71350	0.1
121.02847	1.8
123.04389	0.7
127.03909	0.4
131.04935	0.3
133.02798	0.1
135.04382	0.4
137.02318	6.4
137.03346	0.3
137.05920	0.2
145.02820	0.2
145.06410	0.7
149.02365	0.7
153.01802	9.0
155.04926	0.8
159.04385	0.3
161.06006	0.6
163.03889	1.1
164.31195	0.1
165.01805	3.5
166.02557	0.5
173.05943	1.5
177.01842	0.2
177.05461	0.3
179.03326	0.4
183.02844	1.6
183.04405	0.7
185.06046	0.2
187.03949	0.6
191.03429	0.3
191.06961	0.3
195.02890	0.4
201.05440	3.7
205.04918	0.5
207.02718	0.2
211.03882	0.3
213.05351	0.3
215.03355	0.2
219.02988	0.2
219.06427	0.6
228.04135	0.6
229.04918	8.4
232.03691	0.2
239.03403	0.3
246.05254	0.2
247.05974	1.2
257.01724	0.3
257.04404	4.5
258.05029	0.1
274.04733	1.3
275.05368	0.4
285.03873	2.0
286.04474	0.2
302.04156	0.2
303.04935	100.0
304.05283	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01865	0.3
65.03912	0.5
67.05492	0.2
68.99779	1.4
70.48940	0.4
71.01321	0.1
73.24182	0.1
81.03404	0.4
93.03387	0.5
95.04931	0.7
98.21444	0.2
103.05388	0.1
105.03358	0.2
107.01291	0.2
107.04915	0.2
109.02867	0.8
110.03612	0.1
111.00787	1.6
117.06998	0.2
121.02840	1.8
123.04408	0.5
127.03906	0.3
131.04919	0.3
135.04366	0.4
137.02316	6.2
137.03333	0.3
138.02687	0.1
145.02788	0.2
145.06441	0.5
149.02321	0.8
151.03886	0.1
153.01799	8.5
155.04913	0.8
159.04352	0.1
161.05984	0.5
163.03871	0.9
165.00511	0.2
165.01810	3.5
166.02531	0.5
173.05968	1.3
177.01926	0.1
177.05440	0.2
179.03362	0.2
183.02863	1.4
183.04407	0.7
185.06009	0.1
187.03909	0.7
191.03395	0.2
191.06985	0.2
195.02892	0.5
201.05431	3.7
205.04912	0.3
207.02788	0.3
211.03821	0.2
213.05435	0.2
215.03302	0.3
219.02783	0.2
219.06503	0.5
221.98900	0.1
228.04088	0.6
229.04910	7.4
239.03444	0.2
247.05969	1.2
257.04404	4.5
258.04959	0.2
267.02869	0.2
274.04730	1.2
275.05515	0.4
285.03894	2.3
285.22177	0.1
286.04675	0.2
303.04926	100.0
304.05249	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	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90868	0.1
55.01856	0.3
65.03917	0.3
67.01848	0.2
67.05482	0.1
68.99773	1.4
69.03417	0.2
70.17819	0.6
70.18116	0.1
81.03405	0.5
93.03403	0.6
95.04929	0.5
98.21430	0.1
107.04926	0.1
109.02859	1.0
111.00772	1.8
115.05424	0.2
117.07004	0.2
121.02849	1.7
123.04415	0.7
127.03893	0.4
131.04915	0.3
133.02841	0.1
135.04362	0.4
137.02315	6.4
137.03302	0.3
138.02600	0.1
145.06444	0.5
149.02310	0.7
153.01797	9.1
154.02127	0.3
155.04904	0.7
155.05980	0.2
157.06429	0.2
157.58861	0.1
159.04393	0.3
161.05937	0.7
163.03874	1.2
165.01808	3.8
166.02530	0.5
173.02402	0.1
173.05965	1.2
174.06464	0.1
177.05479	0.2
179.03363	0.3
183.02852	1.5
183.04393	0.7
185.05869	0.1
187.03893	0.7
191.03366	0.2
191.07011	0.1
195.02855	0.4
200.04605	0.2
201.05428	4.0
203.03273	0.1
205.04939	0.3
207.02840	0.1
211.04059	0.1
213.05428	0.2
215.03302	0.1
217.05034	0.1
219.02832	0.1
219.06499	0.6
228.04155	0.6
229.04916	7.9
230.05344	0.3
232.03690	0.2
239.03415	0.4
245.04486	0.1
247.05983	1.4
257.04407	4.7
258.04608	0.2
274.04672	1.2
275.05460	0.3
285.03879	2.1
286.04510	0.3
303.04926	100.0
304.05252	4.8
304.93945	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55586	0.1
55.01853	0.3
65.03925	0.5
67.01868	0.2
67.05485	0.3
68.99779	1.8
69.03411	0.2
69.07063	0.2
77.59928	0.1
81.03392	0.7
81.07048	0.2
91.05457	0.2
93.03389	0.5
93.07043	0.1
93.64614	0.1
95.04943	0.8
97.02908	0.1
97.06511	0.1
105.03372	0.1
105.07010	0.3
107.04937	0.2
107.08588	0.1
109.02858	1.0
109.10138	0.2
110.03693	0.2
111.00797	1.7
115.05424	0.1
117.06971	0.2
119.04903	0.2
119.08521	0.2
121.02847	2.0
121.06505	0.1
123.04395	0.8
127.03876	0.3
129.06950	0.1
131.04912	0.3
133.02837	0.1
135.04370	0.3
137.02322	6.3
137.03325	0.3
137.05930	0.4
139.03873	0.1
139.05365	0.1
145.02843	0.2
145.06511	0.6
145.10066	0.2
147.04384	0.2
149.02312	0.8
151.03876	0.4
153.01807	8.8
155.04865	0.6
157.06508	0.2
159.04369	0.3
161.05946	0.7
163.03865	1.3
165.01811	4.0
166.02528	0.4
167.06892	0.1
171.38423	0.1
173.05969	1.3
177.01729	0.2
177.05449	0.3
179.03343	0.4
181.04877	0.1
183.02850	1.4
183.04410	0.8
187.03896	0.8
191.03326	0.3
191.06880	0.1
195.02887	0.5
195.04497	0.1
201.05440	3.9
202.05843	0.1
203.42850	0.1
205.04919	0.4
207.02850	0.2
211.03821	0.4
212.52658	0.1
213.05476	0.2
215.03299	0.3
217.04778	0.1
219.02904	0.3
219.06483	0.5
228.04149	0.5
229.04913	8.7
229.24866	0.1
230.05310	0.3
232.03635	0.1
233.04396	0.2
239.03384	0.3
245.04491	0.2
246.05193	0.1
247.05998	1.2
256.03644	0.2
257.04401	4.8
258.04706	0.2
274.04684	1.3
275.05231	0.3
285.03937	2.0
286.04819	0.2
303.04941	100.0
304.05270	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	303.0493
Annotation	Quercetin
Peak:m/z	Relative Intensity
52.13113	0.2
52.66106	0.2
55.01857	0.4
57.01748	0.2
62.88592	0.2
65.03952	0.2
67.01850	0.3
67.05479	0.5
68.99783	2.0
69.03413	0.3
70.58878	0.8
71.01355	0.3
81.03392	0.5
81.07036	0.5
84.88658	0.2
85.02888	0.5
93.03389	0.8
95.04950	0.8
109.02855	0.8
111.00803	1.6
117.07037	0.2
121.02843	1.8
122.80103	0.2
123.04415	0.8
123.11723	0.3
127.03915	0.5
131.04897	0.3
135.04425	0.4
137.01337	0.4
137.02330	6.4
137.03377	0.4
137.05919	0.4
145.06473	0.8
149.02322	0.8
149.05898	0.3
151.03871	0.3
153.01807	9.1
155.04883	0.9
161.05965	0.5
163.03865	1.3
165.01808	3.2
166.02643	0.4
173.05951	0.9
177.05473	0.4
183.02864	1.1
183.04372	0.8
187.03896	0.8
191.03297	0.4
195.02896	0.4
201.05457	3.9
202.05835	0.3
205.04910	0.3
207.02916	0.3
211.03888	0.3
213.05302	0.3
215.49513	0.2
219.06381	0.2
225.09122	0.2
225.49597	0.2
228.04153	0.6
229.04932	8.5
230.05299	0.4
245.65831	0.3
246.05370	0.4
247.05910	1.3
257.04446	4.5
274.04697	1.3
285.03937	2.2
303.04953	100.0
303.96094	0.2
304.01785	0.4
304.05261	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	303.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
60.71269	0.1
65.03924	0.5
67.01846	0.2
67.05479	0.5
68.37287	0.1
68.99777	1.9
69.03400	0.4
69.07041	0.2
69.76758	0.5
69.77174	0.2
70.06547	0.2
79.05469	0.3
81.03374	0.6
81.07046	0.3
83.04952	0.2
85.02882	0.2
86.09700	0.1
91.05465	0.2
91.66394	0.1
93.03380	0.7
93.06987	0.2
95.04920	1.0
95.08595	0.6
97.02859	0.1
97.06508	0.1
99.08069	0.2
103.05466	0.1
104.37075	0.1
105.03358	0.2
105.07039	0.2
107.04923	0.4
107.08595	0.2
109.02848	1.0
109.06400	0.1
110.03685	0.1
111.00784	1.8
111.04446	0.2
117.06970	0.3
119.04919	0.1
121.02843	2.4
121.06494	0.2
123.04395	2.3
123.08034	0.3
127.03866	0.6
129.06938	0.2
131.04904	0.3
133.02867	0.2
133.06395	0.2
133.10123	0.1
135.04362	0.9
137.02313	6.9
137.03305	0.3
137.05905	0.9
139.03873	5.2
141.05426	0.1
141.09091	0.3
143.04866	0.1
145.02748	0.2
145.06462	0.5
147.04402	0.4
147.11627	0.1
149.02342	0.7
151.03888	0.5
153.01794	8.8
154.02090	0.2
155.04883	0.8
157.06447	0.2
159.04413	0.2
161.05957	0.6
163.03862	1.7
165.01799	3.4
165.05530	0.6
165.06696	0.1
166.02538	0.4
171.02965	0.2
171.04361	0.1
173.05959	1.2
177.01891	0.2
177.05420	0.4
179.03358	0.5
183.02852	1.3
183.04395	0.7
187.03882	0.9
191.03363	3.0
191.07018	0.2
195.02870	0.5
197.05914	0.2
201.05432	3.9
205.04881	0.3
207.02901	0.2
211.03860	0.3
213.05373	0.3
215.03320	0.2
219.02979	0.3
219.06512	0.5
228.04187	0.5
229.04910	8.5
230.05327	0.3
232.03592	0.1
239.03342	0.4
243.06396	0.5
245.04507	0.2
247.05959	1.1
257.04385	4.6
258.04889	0.2
271.09708	0.2
274.04642	1.6
275.05423	0.5
285.03876	2.3
285.07437	0.4
286.04364	0.3
299.98138	0.1
303.04922	100.0
303.14008	2.0
304.05270	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	303.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.01855	0.3
65.03925	0.5
67.01846	0.2
67.05481	0.2
68.99777	1.6
69.03402	0.3
70.31384	0.5
70.31757	0.2
81.03391	0.6
81.07030	0.2
91.05480	0.2
93.03412	0.6
95.04939	0.7
105.03388	0.2
105.06970	0.2
107.04982	0.2
107.08516	0.2
109.02861	1.1
111.00785	1.7
111.04423	0.2
114.32325	0.1
115.05411	0.1
117.06984	0.5
119.04933	0.2
121.02853	2.1
121.62959	0.1
123.04399	0.7
125.43386	0.1
127.03902	0.4
129.06976	0.2
131.01855	0.1
131.04903	0.4
133.06433	0.2
135.04395	0.5
137.02322	6.7
137.03369	0.5
137.05965	0.3
138.02711	0.1
145.02838	0.1
145.06448	0.6
149.02348	0.7
151.03897	0.1
153.01804	8.7
154.02109	0.2
155.04906	0.6
155.06003	0.2
157.06459	0.2
161.06006	0.6
163.03914	1.2
165.01817	3.2
166.02565	0.6
173.05963	1.5
177.01842	0.2
177.05519	0.2
179.03398	0.4
183.02855	1.6
183.04411	0.8
187.03905	1.0
188.07140	0.3
191.03246	0.2
191.06918	0.1
193.04738	0.1
195.02856	0.5
201.05426	3.7
202.05754	0.1
205.04919	0.4
207.02826	0.1
211.03822	0.3
213.05389	0.2
215.03377	0.2
219.02858	0.2
219.06487	0.5
228.04121	0.5
229.04935	8.7
230.05252	0.4
232.03751	0.1
233.04506	0.2
239.03426	0.2
245.04454	0.2
246.05185	0.2
247.05913	1.0
257.01718	0.2
257.04419	4.8
258.04761	0.3
259.14346	0.2
274.04709	1.4
275.05396	0.3
285.03922	2.4
286.04565	0.2
303.04944	100.0
304.05283	5.3
304.08084	0.1
321.35318	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
55.01857	0.3
65.03922	0.5
67.01834	0.3
67.05476	0.5
68.99777	1.9
69.03414	0.3
69.07043	0.2
69.47359	0.4
69.47783	0.6
79.05473	0.2
81.03407	0.6
81.07030	0.5
83.04958	0.2
91.05470	0.2
93.03394	0.6
93.07010	0.3
95.04942	0.9
95.08582	0.4
97.02896	0.1
97.06544	0.1
103.05444	0.2
105.03369	0.1
105.07003	0.5
105.33059	0.1
107.04932	0.2
107.08572	0.4
109.02849	0.9
109.10125	0.3
110.03684	0.1
111.00773	1.8
111.04429	0.2
115.05418	0.2
117.06992	0.3
119.04877	0.2
119.08529	0.4
121.02850	2.3
121.10107	0.4
123.04431	0.8
123.11709	0.2
127.03888	0.5
128.06192	0.1
129.06929	0.1
131.04883	0.3
131.08519	0.2
133.06482	0.2
133.10101	0.3
135.04393	0.4
135.11671	0.1
137.02322	6.9
137.03348	0.4
137.05945	0.5
138.02617	0.1
139.03862	0.2
143.04924	0.2
145.02850	0.3
145.06488	0.5
145.07509	0.1
145.10112	0.3
147.04375	0.3
147.11679	0.2
149.02339	0.7
151.03889	0.4
151.07503	0.2
153.01799	8.7
154.02151	0.2
155.04866	0.7
155.08449	0.1
157.06432	0.1
157.10149	0.1
159.04367	0.3
159.11632	0.2
161.05959	0.6
163.03905	1.2
165.01808	3.6
165.06888	0.2
166.02596	0.5
167.06961	0.1
173.05934	1.1
173.13242	0.2
177.01833	0.1
177.05510	0.2
179.03355	0.3
183.02852	1.6
183.04431	0.5
187.03894	0.8
187.14769	0.2
191.03389	0.4
195.02879	0.3
199.14804	0.2
201.05434	4.3
205.04948	0.5
207.02818	0.2
211.03883	0.4
213.05527	0.3
219.02890	0.4
219.06512	0.4
228.04103	0.5
229.04929	8.5
230.05302	0.3
232.03592	0.1
239.03380	0.5
245.04396	0.2
247.06006	1.2
257.04413	4.7
258.04959	0.3
274.04688	1.4
275.05365	0.3
275.08423	0.1
285.03891	2.1
285.22128	0.2
286.04227	0.1
288.60410	0.1
303.04938	100.0
303.22748	0.6
304.05270	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45483	0.1
53.06767	0.1
57.71241	0.1
67.14828	0.2
69.74004	0.4
69.74414	0.4
77.75335	0.1
82.99871	0.2
100.83627	0.1
101.00870	0.8
104.88717	0.1
116.98660	0.2
119.01901	4.6
120.01961	0.2
130.98419	0.1
134.99814	0.4
137.02945	1.5
158.99783	0.2
162.93250	0.1
165.99603	0.2
175.03099	0.1
177.00932	9.9
178.01010	0.8
179.00754	0.2
182.99927	0.5
193.03983	0.2
195.01961	0.2
201.00885	0.8
217.04059	1.9
218.03972	0.2
219.01976	18.6
220.02057	1.7
221.01848	0.6
222.01912	0.2
225.00812	2.3
226.00938	0.2
227.99593	0.2
233.16504	0.1
236.99831	0.2
237.03140	0.2
240.24294	0.1
242.03606	0.5
243.01952	6.4
244.02054	0.7
250.87917	0.1
260.04678	0.2
261.03021	100.0
262.03152	9.3
263.02951	0.9
266.03568	0.3
275.04572	0.3
279.00864	0.8
284.04639	3.5
284.99832	1.5
285.04620	0.6
297.97711	0.2
301.00906	0.4
303.00806	3.6
303.04471	3.0
304.00900	0.3
320.94403	0.2
321.02039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01847	0.7
57.03410	1.4
61.02928	1.5
65.03929	1.5
67.05492	19.2
69.03416	12.9
69.07053	11.7
70.06537	0.8
70.21794	2.9
73.02888	1.3
79.53595	0.6
81.03406	3.2
84.08105	0.9
84.42823	0.7
85.02890	30.4
91.03916	0.7
94.06518	1.0
95.04951	39.0
96.61930	0.6
97.02874	25.8
98.03236	0.8
99.04438	0.9
100.51320	0.6
103.03927	3.5
109.02854	6.0
112.07583	29.3
113.05965	3.0
115.03881	0.8
122.06025	1.7
123.04392	1.1
124.07570	1.8
127.03900	6.6
136.07549	2.0
140.07039	100.0
141.07344	2.5
145.04959	4.1
151.88988	0.7
154.08603	4.7
178.08578	2.6
182.08101	52.6
183.08412	1.9
206.08092	11.9
208.09621	0.8
218.08086	1.5
236.09160	2.5
248.09137	7.0
284.11380	1.0
290.03156	0.7
302.12155	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	302.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.7
60.04520	0.7
61.02914	1.6
69.03432	1.9
71.04993	0.8
71.60928	0.9
73.02915	2.2
73.65425	0.6
78.58134	0.6
81.03413	1.8
84.04464	0.7
85.02906	2.8
97.02885	3.9
98.98480	2.2
99.04380	0.7
100.02349	0.7
101.00873	7.3
102.00966	1.1
109.02879	1.1
114.05531	1.3
115.02409	0.8
119.01898	18.6
119.02662	1.1
120.01994	4.8
121.01015	0.8
127.03954	0.9
131.01869	3.2
133.03519	1.4
134.99908	0.9
137.02979	2.9
139.02390	1.5
143.01968	2.1
145.03426	3.1
145.05009	0.8
146.03622	2.5
149.03015	0.6
155.02023	0.6
156.97475	7.0
156.98653	1.0
157.03438	8.1
158.97165	1.2
158.99959	0.6
161.03004	4.8
164.99461	0.7
167.01616	1.2
171.05070	0.8
172.01488	0.9
172.95204	0.7
173.02983	1.0
174.98550	6.8
175.04541	2.2
176.98351	1.4
176.99944	2.8
177.01070	4.5
180.97507	0.6
182.01721	0.8
183.01337	3.8
185.02927	0.8
185.09323	1.0
186.01221	0.8
186.98192	0.9
189.02344	3.2
190.02585	5.7
191.02200	0.9
194.99110	1.7
197.97087	2.7
198.47112	1.5
198.96831	1.1
198.98488	11.5
200.98271	5.2
201.02420	16.6
201.04146	1.1
202.02730	2.0
203.97086	1.1
205.96062	1.0
205.98831	0.8
207.01529	0.8
207.94145	0.9
208.00577	2.4
208.44359	0.8
209.97125	1.8
213.00012	9.2
214.00517	1.0
214.96487	17.3
216.94662	3.5
216.99535	3.8
217.44971	2.3
217.94743	1.0
218.03767	1.3
218.97545	2.8
218.99564	1.4
219.01889	6.1
220.03720	0.8
220.95573	1.1
223.01233	0.9
224.04218	0.8
224.98286	1.3
225.00256	2.3
225.95447	2.8
227.46548	1.1
228.94743	5.5
229.01158	2.3
229.44908	1.6
229.94817	1.2
230.97540	1.8
231.01405	2.4
232.00748	0.9
235.01047	1.8
237.95360	9.5
238.45274	2.0
238.47379	1.9
238.93747	1.1
238.96021	3.7
239.97919	1.1
241.01123	2.3
242.99525	2.7
243.03539	5.7
243.95206	1.5
245.94354	2.8
246.44325	1.2
246.94061	0.9
247.02187	0.8
247.44206	0.9
249.95316	4.0
250.01576	8.1
250.45496	2.0
250.51691	2.1
250.95367	1.2
254.94888	0.9
255.95590	0.9
256.97504	100.0
257.44873	1.3
257.97504	5.1
258.44559	1.5
258.95721	5.2
259.02213	2.7
259.46011	2.1
259.52127	1.1
259.95898	0.9
260.97235	1.3
261.02789	6.3
261.97540	2.9
262.05005	1.1
269.44910	2.3
270.95786	3.0
271.01859	0.8
271.45789	0.8
271.95801	1.0
274.97632	18.9
275.97836	0.9
276.92194	2.9
277.42239	1.3
278.45255	2.0
279.98727	41.6
280.02570	3.0
280.06000	1.9
280.46164	1.1
280.98773	2.6
282.46365	0.8
284.99246	0.8
285.02365	2.8
285.92642	1.1
286.13998	0.9
286.92480	0.9
288.42520	1.2
288.45447	0.8
288.96735	1.8
296.93106	0.9
297.99265	4.1
298.98596	15.3
303.00290	1.3
303.03113	18.4
319.43750	0.7
321.04330	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	302.0867
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
53.03928	0.3
53.29559	0.2
55.01853	0.3
57.03417	0.6
59.04990	0.2
61.02922	1.2
66.66725	0.2
69.03419	2.3
70.06583	0.2
71.04980	0.4
71.63774	0.3
73.02885	0.5
78.03439	0.6
79.55598	0.1
79.69682	0.1
81.03406	1.3
83.01328	0.2
85.02894	8.3
87.04449	0.4
91.03928	0.5
97.02882	2.4
99.04419	0.4
109.02855	0.6
115.31585	0.2
122.02371	1.8
122.06025	0.3
127.03902	1.4
134.81783	0.2
140.03406	100.0
141.03784	1.1
145.04932	1.4
161.02980	0.2
273.13489	0.2
275.03439	0.2
302.08688	3.7
303.08441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
54.15981	1.2
55.01869	1.7
57.03411	3.8
61.02906	5.6
61.73697	1.4
63.75364	1.1
67.05489	5.0
69.03416	11.2
70.06554	3.6
70.58430	5.1
72.08122	1.8
73.02883	3.1
79.05466	3.6
81.03399	7.4
81.07035	7.3
85.02892	80.8
86.03251	1.6
91.03931	2.0
94.06532	1.5
95.04944	4.2
96.04503	1.5
97.02876	41.1
98.20763	1.6
99.04454	3.1
103.03951	7.6
103.59441	1.2
108.08088	13.2
109.02853	10.9
112.07571	2.8
122.06026	6.8
125.05946	6.7
126.05520	7.2
126.09116	4.3
127.03886	20.1
136.07567	16.9
140.03374	1.2
140.07040	44.9
145.04933	15.0
150.09099	5.3
152.07036	19.9
153.01805	2.4
154.08594	5.8
163.06006	3.8
164.07037	20.9
171.11426	1.7
178.08598	17.4
178.62473	1.3
182.08099	100.0
183.08406	4.2
203.05865	1.7
206.08087	39.9
218.08051	4.9
236.09097	5.2
248.09167	10.9
250.03841	1.5
302.11346	7.0
303.04935	22.1
320.41510	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01851	0.5
57.03424	1.5
59.64206	0.2
61.02915	2.5
69.03070	0.4
69.03413	4.7
70.06564	0.7
71.04972	0.6
71.60533	0.2
71.60918	0.3
73.02909	1.4
73.92252	0.2
78.03421	0.7
81.03405	1.8
81.04517	1.4
83.04977	0.3
85.02887	10.7
87.04433	1.4
91.03928	0.7
96.26325	0.2
97.02866	3.4
99.04427	0.7
101.00867	0.6
105.05481	0.6
107.88847	0.2
109.02853	0.9
110.06026	0.2
112.07555	0.5
119.01894	1.7
121.04221	0.2
122.01605	0.3
122.02302	1.4
122.06017	0.5
122.07133	1.1
123.04379	1.1
123.06528	0.8
124.03915	1.4
127.03891	2.8
129.05571	0.2
131.01877	0.7
133.03471	0.5
140.03394	100.0
140.07021	1.4
140.08153	4.5
141.03757	1.1
143.01894	0.4
145.03424	0.5
145.04918	2.0
149.02997	0.3
152.07018	0.3
155.01903	0.3
156.97395	1.3
157.03423	0.4
158.08101	0.2
161.02928	0.7
165.05460	0.5
173.02829	0.5
174.98524	1.5
179.95023	0.2
184.05798	0.3
194.07103	1.0
196.03969	0.2
198.98534	1.8
199.00929	0.4
203.04004	0.3
205.04283	0.5
205.55756	0.2
211.08125	0.6
212.05225	0.3
212.07094	0.8
213.00076	1.8
214.05048	0.3
215.00330	0.6
216.99605	0.9
221.05124	0.3
223.06564	0.6
224.99867	0.3
225.09073	0.6
231.01216	0.3
241.07567	0.3
247.03099	0.5
267.10098	0.6
279.09116	0.7
285.11157	0.5
289.04175	0.4
302.08640	4.7
302.13348	5.2
303.03156	4.9
303.08386	0.5
321.04175	3.0
321.10254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01851	1.9
55.05499	13.7
57.03415	2.7
57.07059	1.9
60.98869	1.0
62.36814	1.4
65.03937	1.7
66.19780	1.0
67.05492	31.5
69.03413	1.8
69.07059	11.5
73.02885	1.3
74.25620	1.2
77.99092	1.0
79.05484	19.7
79.99079	1.2
81.03371	1.2
81.07043	49.7
83.04950	1.9
83.08607	7.1
85.02873	2.4
91.05462	20.8
93.06470	2.4
93.07029	39.8
95.04974	5.9
95.08591	100.0
96.08895	2.1
97.06502	6.0
97.10138	4.5
102.53676	1.2
104.78723	1.2
105.07012	29.4
107.08572	40.7
109.06448	1.6
109.10133	20.0
111.08046	2.3
116.04681	1.7
117.06969	5.7
119.08559	37.1
121.06444	2.5
121.10120	32.0
123.08038	2.8
123.11710	6.4
125.09581	2.9
129.05414	4.1
129.06931	2.6
131.08553	15.8
133.10106	31.2
135.08089	1.6
135.10681	1.4
135.11674	26.3
137.09567	2.1
137.13246	1.8
143.06967	1.5
143.08522	4.0
145.10091	22.0
147.11665	23.3
149.09581	1.1
149.13226	15.3
151.11134	6.3
153.06947	1.0
157.08820	1.4
157.10042	5.7
159.11670	19.7
161.13240	17.2
163.11119	3.7
163.14795	9.1
169.10074	1.7
171.11646	3.8
173.13252	12.4
175.14813	22.2
177.16316	4.1
178.98380	1.2
185.13240	5.3
187.14796	19.2
189.11256	1.2
189.16348	40.5
199.14769	6.9
201.16336	16.1
203.14355	1.3
203.17932	10.0
205.15869	2.5
213.16331	8.2
215.17845	5.8
217.19536	1.5
219.17339	3.1
227.17969	7.6
229.23497	1.4
231.17308	1.7
241.19446	6.3
243.20969	1.7
245.19019	1.4
255.20993	3.3
283.24158	60.1
284.24356	2.0
301.03342	2.2
301.06952	1.2
301.10583	3.6
301.16455	3.4
301.21555	10.1
301.25153	72.4
302.25409	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16821	1.1
53.03930	1.8
55.01855	1.2
55.05504	11.4
57.03437	1.3
57.07084	2.4
65.03925	2.0
67.05171	1.9
67.05497	30.0
69.03416	1.4
69.07060	14.4
69.41692	9.8
71.04954	2.5
79.05054	1.5
79.05483	22.6
81.03402	1.4
81.07049	58.6
83.04952	3.5
83.08620	8.1
85.06526	2.0
91.05469	21.8
93.07034	42.2
93.07610	2.9
95.04951	6.6
95.08598	100.0
96.08926	1.4
97.02868	1.4
97.06530	5.8
97.10140	4.4
105.07019	39.4
106.58311	1.1
107.04923	1.3
107.08582	43.9
109.06494	3.6
109.10139	26.0
111.08041	2.5
117.06999	7.7
119.08566	39.3
121.02862	1.7
121.06481	2.3
121.09321	2.3
121.10133	34.3
123.08059	3.0
123.11673	8.9
125.09583	1.3
127.11215	1.6
129.06956	3.9
131.08551	15.3
133.10112	40.0
135.08002	3.1
135.11688	27.1
137.09645	6.2
137.13214	3.5
139.03905	2.1
139.11169	1.4
141.06874	1.1
142.07722	1.5
143.08505	5.7
144.09373	1.3
145.10110	25.0
147.11674	26.8
149.09581	1.8
149.13239	20.0
151.03876	1.4
151.11177	9.3
151.14874	1.4
155.08430	1.8
157.10088	8.2
159.11671	22.0
161.09549	3.7
161.13235	22.3
163.11095	3.2
163.14796	13.2
165.06926	1.4
165.12798	1.4
169.80922	1.2
171.11595	7.3
173.13261	15.9
175.11186	1.8
175.14809	26.9
177.05388	1.4
177.12746	2.0
177.16348	4.0
181.06360	1.8
185.13220	5.1
187.14793	21.3
189.16359	52.2
191.14302	3.1
197.13223	3.3
198.06760	1.2
199.14807	6.1
201.16357	13.1
203.14267	2.3
203.17981	8.2
205.08571	1.4
205.15793	3.8
211.07445	1.3
213.09070	1.3
213.12831	1.4
213.16295	9.6
215.14297	1.4
215.17929	4.4
219.17398	3.1
227.17903	10.7
231.17427	1.4
241.19402	4.7
243.21161	1.7
245.18867	1.6
255.11174	1.3
255.21065	1.8
265.19641	1.2
269.08176	1.5
283.20694	3.7
283.24161	71.0
284.24435	2.1
301.03354	2.5
301.07123	2.5
301.10733	9.5
301.14294	1.9
301.21585	14.8
301.25156	95.8
302.17444	1.9
302.22244	1.4
302.25537	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	301.2521
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
52.00860	0.6
52.94787	0.6
53.03928	2.4
55.01849	0.8
55.05503	9.3
57.03418	1.7
57.07055	1.5
57.97530	0.6
65.03915	1.4
66.23739	0.6
67.05493	22.5
67.84949	0.6
69.03413	1.0
69.07059	8.0
69.49777	2.4
69.50205	3.6
71.04977	1.3
74.90610	0.6
79.05055	1.0
79.05480	17.5
81.07042	50.7
83.04964	1.5
83.08611	5.3
85.02866	0.8
85.06552	0.7
88.12791	0.6
91.05459	20.7
93.07027	36.1
95.04927	2.7
95.08591	74.9
96.08917	1.3
97.06516	3.5
97.10139	3.6
103.05431	0.9
105.07010	31.8
106.07330	0.8
107.08575	40.8
109.06478	1.7
109.10133	22.2
111.08019	1.2
111.11724	1.0
116.04691	0.8
117.07008	5.4
119.08562	34.1
120.96679	0.7
121.06506	1.6
121.10122	27.0
123.08020	1.2
123.11688	9.5
125.09602	1.0
129.05450	2.2
129.06982	1.8
131.08549	14.7
133.10106	41.8
135.07993	2.0
135.11667	29.2
137.09618	2.7
137.13223	2.7
139.03894	0.9
143.08537	2.7
144.09283	1.3
145.10100	23.2
146.10539	0.8
147.11665	25.7
149.13232	21.0
151.03882	1.0
151.11157	18.5
151.14772	0.9
156.09216	1.0
157.08804	1.3
157.10059	6.1
159.11658	19.0
161.09586	1.2
161.13225	22.4
163.11166	4.0
163.14795	11.9
165.12711	1.0
169.10071	0.8
171.11633	4.2
173.13235	16.7
174.13591	0.9
175.11293	1.0
175.14801	27.4
176.15089	0.9
177.12717	1.4
177.16342	3.8
179.14151	1.0
181.06400	1.1
183.11807	0.7
185.13242	4.2
187.14783	19.6
189.16348	56.9
190.16621	1.9
191.14250	1.7
197.13222	0.8
199.14754	6.3
201.16353	11.8
203.17906	7.3
205.15865	2.6
213.16367	10.9
214.16876	1.0
215.17931	4.2
217.19443	1.3
219.17410	1.9
227.17882	8.2
231.17345	1.7
241.19476	5.6
243.21056	1.1
255.21039	2.6
265.19339	1.3
283.24155	77.6
284.24359	3.3
301.03476	1.4
301.10693	2.8
301.16391	2.2
301.21774	6.7
301.25192	100.0
302.25543	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	301.2522
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
53.03931	2.1
55.01845	0.9
55.05499	12.4
57.07058	2.0
62.18262	0.9
65.03922	1.6
65.40580	1.4
67.05497	26.1
67.80178	1.0
69.03407	1.8
69.06724	1.1
69.07057	11.0
69.27354	6.5
69.27782	5.6
71.04980	1.8
75.02666	0.9
79.05057	1.6
79.05480	21.0
81.07044	49.0
81.23328	0.9
83.04976	2.0
83.08598	6.9
85.02888	1.6
85.06532	1.2
88.50735	1.0
91.05468	22.8
93.06465	1.8
93.07030	34.9
95.04974	6.7
95.08594	86.9
97.02853	1.2
97.06532	6.4
97.10133	4.3
97.90744	1.1
98.20690	2.2
105.07014	38.0
107.08581	42.5
109.06474	2.8
109.09447	1.6
109.10141	24.0
115.05424	1.0
117.07001	6.6
119.08564	36.2
120.08836	1.0
121.06474	1.9
121.10127	31.7
121.11010	2.0
123.08019	2.7
123.11684	8.8
123.30774	1.0
125.09624	1.8
129.06979	1.8
130.07759	1.2
131.08542	15.7
133.09084	2.0
133.10107	37.1
135.08003	3.8
135.11671	28.3
137.09567	2.7
137.13196	4.0
139.03856	1.7
142.07794	1.4
143.08533	5.0
144.09294	1.2
145.10094	21.9
147.11667	22.7
149.13235	19.0
151.03889	1.8
151.11179	10.9
155.08531	1.3
157.10109	7.8
158.10878	1.3
159.08003	1.6
159.11667	21.0
160.12318	1.2
161.09573	2.7
161.13223	18.5
163.11143	3.7
163.14818	12.5
165.01727	1.5
165.06978	1.7
165.12718	1.0
169.10086	1.1
171.11638	4.1
173.09639	1.9
173.13239	13.6
175.11166	1.5
175.14787	26.1
177.12712	2.0
177.16394	5.4
181.06483	2.4
183.11638	1.1
185.13231	6.4
187.14799	23.0
189.16364	53.1
191.14282	2.3
195.11668	1.2
197.13258	1.7
198.06548	1.2
199.14824	6.9
201.16377	14.4
203.17963	7.5
205.15843	3.6
212.91319	1.1
213.08919	1.3
213.16344	8.3
215.14198	1.8
215.17915	4.4
217.15895	1.1
217.19522	1.3
219.17397	2.7
227.14252	1.4
227.17921	8.0
231.17392	2.2
241.08559	1.2
241.19429	7.5
243.20993	1.5
255.20862	2.5
283.20609	3.7
283.24152	65.7
284.24432	2.6
301.03391	1.9
301.07135	2.2
301.10709	9.3
301.14529	3.0
301.21585	13.4
301.25156	100.0
302.10834	1.4
302.17532	1.7
302.25552	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	301.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.01855	0.6
57.03422	0.8
61.02900	1.7
67.05476	1.4
69.03419	3.7
69.07064	0.6
69.75074	2.8
70.06583	4.9
71.04964	0.9
72.08116	1.1
73.02901	0.9
77.79475	0.5
79.05489	1.0
81.03388	2.7
81.07041	2.1
83.04943	0.6
83.08617	0.5
84.08144	0.8
85.02895	10.4
85.06524	0.6
86.09670	1.5
87.04448	0.6
91.03925	1.3
91.05469	1.5
93.07038	0.9
95.04353	0.7
95.04955	14.1
95.08585	1.1
96.06838	0.5
97.02872	3.8
98.97554	0.6
99.04417	1.1
103.05418	0.6
105.03422	1.0
105.04505	0.6
107.04926	0.9
109.02871	1.7
109.06470	0.6
110.07146	0.6
111.04410	1.0
112.07594	3.2
113.05894	0.5
116.01630	1.3
116.07070	0.9
119.04901	0.5
121.02847	11.0
121.06480	1.0
121.07603	3.0
122.06018	0.8
123.04420	2.0
124.07608	0.6
125.07116	0.8
126.05599	0.5
127.03924	2.3
135.04395	0.6
136.07567	0.6
137.02324	2.1
138.00073	1.5
138.05478	1.4
139.03879	40.6
139.07585	0.9
139.08615	7.3
139.09570	0.8
139.11148	0.5
140.03392	19.1
140.04427	1.1
140.07059	3.4
145.04927	3.5
146.48212	0.5
147.04375	1.2
149.05968	0.7
152.01665	0.7
153.07011	0.5
154.08621	0.6
156.01096	1.8
156.07668	0.8
163.03897	1.1
171.07733	1.7
173.02850	0.5
177.05490	0.8
181.04889	0.5
181.06425	0.7
182.08115	1.0
185.16464	0.6
198.02171	0.7
211.07605	0.7
213.03261	0.9
213.05402	0.9
221.05035	4.2
227.09175	0.5
259.03818	3.7
269.08011	0.8
269.54794	0.6
273.07733	0.8
301.05304	2.5
301.12534	100.0
302.08685	0.8
302.12750	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	301.2519
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
55.05502	8.6
57.03409	1.6
67.05491	21.3
69.07050	7.6
70.80106	2.6
71.04980	3.9
71.99557	1.1
79.05473	14.3
81.07040	51.4
83.08579	5.1
85.35068	1.2
91.05455	19.0
93.07024	32.9
93.84860	1.3
95.08589	44.2
97.06500	2.4
97.10139	5.5
105.07011	37.7
105.47203	1.2
107.08579	29.3
109.10140	35.9
109.10902	2.2
110.63855	1.1
117.07000	5.9
119.08550	25.9
121.10114	23.4
123.11667	11.7
129.05383	1.4
129.06970	2.2
131.08524	15.7
133.10106	54.2
135.11670	29.5
137.09630	2.2
137.13202	2.6
140.51270	1.2
143.08531	3.0
144.09329	2.9
145.10094	22.1
147.11659	40.0
149.13232	25.8
151.11159	13.7
157.10088	3.8
159.10287	1.3
159.11658	40.3
161.13225	40.9
162.13672	1.3
163.11183	2.0
163.14763	6.6
165.12720	22.4
165.14087	1.4
168.55205	1.2
171.11636	2.6
173.13234	22.5
175.14793	19.6
177.12746	2.7
177.16342	1.4
179.14162	1.7
185.13274	3.5
185.16994	1.3
187.14760	15.4
189.16386	7.3
191.14301	4.1
199.14789	4.5
201.16351	14.9
203.17935	2.1
213.16324	9.7
215.17984	3.1
217.19556	2.0
227.17854	10.3
239.17899	1.7
241.19467	5.2
243.21057	2.3
255.21049	3.4
257.22650	16.8
258.22916	1.5
283.24149	100.0
284.24542	3.0
295.23557	1.5
301.25214	67.9
302.25589	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	301.0911
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.35345	0.4
51.02390	0.4
53.03945	2.1
53.69042	0.3
55.01851	1.0
55.05490	0.5
57.03423	1.0
57.07063	0.4
60.61295	0.3
61.02901	1.4
65.03918	1.1
67.05490	1.0
69.03423	3.6
69.71376	0.4
70.06568	1.1
70.53210	1.5
70.80123	0.4
71.04962	0.6
73.02900	0.9
81.03399	1.6
81.07020	0.8
83.04943	0.4
83.08610	0.4
84.08130	0.6
85.02893	11.0
91.03942	0.4
91.05425	0.8
95.04955	40.2
95.08576	0.6
97.02874	3.3
99.04420	0.6
105.03363	0.6
105.04492	0.9
107.08592	0.5
109.02854	1.7
109.10139	0.7
111.04408	1.3
120.25285	0.4
121.02848	25.6
121.06451	0.5
121.07600	0.8
121.08388	0.4
123.04453	0.9
127.03882	2.5
133.10225	0.4
137.02330	0.7
137.05992	0.7
138.05479	0.8
139.03880	100.0
139.08603	3.3
140.03366	4.8
140.04303	1.1
140.07037	0.6
141.79004	0.4
144.89995	0.4
145.04932	3.7
151.03949	0.6
157.06445	0.6
165.05493	0.4
167.06963	0.5
177.05492	0.5
185.05940	0.6
186.55113	0.5
203.03780	0.5
208.05057	0.4
210.29620	0.4
221.05057	1.5
240.44887	0.4
241.08585	0.6
259.03827	0.8
269.08130	0.5
283.08206	0.4
301.06952	1.3
301.12558	32.1
301.18051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.6
56.14444	0.6
56.39109	0.5
57.03416	2.1
59.04992	48.6
61.02906	2.1
69.03417	3.8
69.07047	0.6
70.06561	2.1
70.21112	2.2
70.21822	0.5
71.04988	0.7
73.02908	1.0
77.06026	0.8
81.03404	1.7
85.02892	13.5
89.06018	21.1
91.03946	0.7
91.05469	1.2
93.07056	0.6
95.04958	1.0
97.02879	5.0
97.85802	0.5
98.21518	0.6
99.04417	1.1
103.06880	0.8
103.07565	15.1
103.08215	1.0
107.04919	0.8
109.02828	1.9
110.06018	1.4
120.08092	2.6
121.02821	0.6
121.06595	5.3
121.08598	100.0
122.08947	1.0
127.03889	1.9
136.07489	0.6
137.02324	2.5
138.05499	3.4
138.09126	8.4
139.03891	2.2
145.04921	1.9
156.06555	0.6
163.03893	0.6
164.37592	0.6
167.07037	2.3
173.52156	0.6
177.05449	1.4
181.04877	0.8
209.07933	0.5
254.13867	1.0
282.13181	0.7
300.06036	1.0
300.10855	1.1
300.14374	4.6
300.17819	1.2
301.12592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95288	0.7
55.05502	9.9
57.07055	3.7
67.05163	1.3
67.05493	16.9
67.05830	1.9
69.07054	15.8
69.85770	5.5
71.08609	1.2
79.05476	4.9
81.06573	1.2
81.07047	23.2
83.08607	7.1
90.41903	0.9
91.05450	5.9
93.07029	14.8
95.08595	49.1
97.10143	5.3
101.05965	1.3
105.07010	14.7
105.07676	1.6
107.08582	20.5
109.06423	0.8
109.10138	26.3
111.04470	1.4
111.08080	1.1
111.11708	1.4
117.06990	1.7
119.07784	1.1
119.08562	15.6
121.10119	18.1
123.11694	12.0
124.12009	1.3
131.08568	4.9
133.10106	14.1
135.11671	9.6
137.13255	5.6
143.08556	1.2
145.10100	7.9
147.11674	17.1
149.13242	10.0
151.14822	1.1
155.08617	0.9
157.10136	2.1
159.11658	4.7
160.12471	0.8
161.11917	1.6
161.13231	16.7
163.14784	3.8
171.11653	1.5
173.13237	3.5
175.14778	8.1
177.16345	5.2
183.11728	1.7
185.13200	1.4
187.14798	3.8
189.16356	14.2
191.17914	8.0
195.11600	1.3
197.13249	1.1
199.14751	1.0
201.16385	5.6
203.17947	13.4
205.19402	1.4
215.17883	8.2
217.15891	1.3
217.19482	8.6
218.54564	0.8
225.16452	1.2
229.19453	5.0
231.21159	1.0
243.21030	4.3
253.19505	1.6
257.22644	2.0
266.38303	1.0
281.22565	3.7
299.05673	0.9
299.19992	5.4
299.23615	10.3
299.27264	100.0
300.24155	1.5
300.27585	8.4
313.77499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2363
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
50.70828	1.0
53.03922	1.3
55.01857	1.4
55.05499	11.3
57.03422	1.2
57.07040	3.3
59.55051	1.1
66.91842	1.0
67.05166	1.7
67.05492	21.4
69.03401	3.6
69.07056	9.5
71.04958	3.4
71.62067	2.2
75.19750	1.0
77.10448	1.1
79.05476	14.8
80.09550	1.0
81.03380	2.6
81.07042	60.5
83.08592	6.4
85.02879	2.5
85.06515	2.7
87.54100	1.1
91.04960	1.5
91.05466	22.0
93.07029	30.8
95.04929	4.0
95.08592	35.7
97.02840	1.7
97.06478	3.5
97.10114	3.2
99.08045	1.9
103.05415	1.3
105.07015	35.9
107.04910	2.3
107.08575	29.7
109.02849	1.8
109.06547	1.3
109.10138	27.6
111.08038	3.3
115.05457	1.6
117.06999	12.8
119.07791	2.1
119.08565	27.1
120.84400	1.0
121.02831	2.5
121.06477	3.4
121.10114	19.1
123.07989	2.5
123.11671	7.7
125.09570	2.0
127.07480	1.3
128.06168	3.3
129.06964	9.0
130.07819	2.2
131.08551	25.9
133.10106	43.3
134.10341	1.8
135.08012	2.4
135.11667	16.3
137.05937	5.3
137.09653	6.1
137.13225	1.8
139.03845	2.2
141.06950	2.7
142.07727	4.6
143.08540	20.2
143.09619	0.8
144.09183	1.8
145.06352	1.1
145.10101	37.6
147.11652	24.5
149.09549	2.3
149.13243	19.5
151.11153	3.3
151.14830	1.2
154.07654	1.1
155.08498	7.4
156.09277	1.9
157.10094	30.4
159.11661	35.1
160.11963	1.4
161.09537	2.1
161.13220	12.4
163.03857	1.3
163.11110	1.8
163.14720	3.8
165.12691	2.6
165.71744	1.3
168.09184	1.5
169.10167	9.7
170.10802	2.2
171.11662	24.3
173.09550	1.2
173.13248	19.3
175.11139	3.8
175.14786	6.0
177.12735	1.3
179.03311	2.9
181.10107	2.4
183.11658	11.3
185.13229	20.4
186.13676	1.2
187.14754	10.9
189.12703	3.4
189.16351	1.5
195.11589	2.4
196.12445	2.9
197.13271	11.9
198.13768	1.4
199.14761	20.6
200.15460	1.8
201.16324	11.0
202.09009	1.3
203.14246	2.2
210.13979	1.6
211.14769	16.4
212.15237	1.6
213.12881	1.3
213.16382	9.5
215.17899	2.8
217.15794	1.5
223.14723	1.7
224.15413	1.2
225.16322	14.5
227.17871	4.2
229.15855	1.4
229.19374	1.5
237.16359	2.3
238.17035	2.7
239.06824	1.6
239.17902	10.3
241.19543	5.8
243.13629	1.3
252.18585	1.6
253.19531	7.4
255.21007	9.8
264.58054	1.3
281.22595	100.0
282.22894	3.6
285.07428	3.0
299.05597	3.1
299.09091	7.5
299.12781	3.3
299.20059	13.6
299.23587	97.4
300.09741	3.4
300.23944	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	299.2365
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03936	1.8
55.01871	1.4
55.05507	9.4
55.64552	0.6
57.03429	1.9
57.07062	2.5
65.03909	1.0
65.81511	0.6
67.05497	29.2
68.03106	0.6
69.03423	2.4
69.07064	9.2
69.32246	7.3
71.04980	5.1
71.08604	1.1
79.05481	27.7
81.03417	2.6
81.07047	100.0
82.07391	0.8
83.04957	4.1
83.08613	6.0
85.02908	1.1
85.06528	5.9
86.09718	0.6
89.06057	0.7
91.05467	27.3
93.07030	39.5
95.04965	7.6
95.08591	32.8
95.29538	0.7
97.06515	3.1
97.10149	3.4
98.21536	1.0
99.08082	1.7
101.29564	0.6
103.05424	1.2
105.04468	0.9
105.07018	33.1
107.04931	2.0
107.08580	24.3
109.02874	0.7
109.06499	3.5
109.10141	15.1
110.10468	0.8
111.04412	1.4
111.08081	1.2
113.09661	1.1
115.05452	1.2
115.15543	0.6
117.07018	9.6
119.08564	23.3
120.08869	0.7
121.02850	0.9
121.06507	3.1
121.10131	12.8
123.04477	0.8
123.08060	2.5
123.11676	7.7
125.09601	2.3
127.07523	0.9
128.06200	2.6
129.07001	9.6
130.07756	1.2
131.08556	18.6
133.06442	0.6
133.10109	20.0
135.08043	1.7
135.11684	12.6
137.02303	0.7
137.05991	1.0
137.09575	1.4
137.13219	1.8
139.03897	1.0
141.06966	2.2
142.07777	5.0
143.08545	14.8
144.09186	1.0
145.10107	28.5
145.11263	1.6
147.04388	1.0
147.07961	1.2
147.11668	24.9
149.09622	1.4
149.13245	7.4
151.11185	1.9
153.09219	0.8
153.12735	1.1
155.08539	5.2
156.09312	1.5
157.10110	32.1
158.10605	1.0
159.08032	2.0
159.11670	25.6
161.06001	1.0
161.09593	3.5
161.13237	16.9
163.11137	1.8
163.14781	2.8
165.12642	1.4
168.09279	0.9
169.10086	6.7
170.10918	0.9
171.11668	18.2
172.12129	1.0
173.09612	1.1
173.13240	11.1
175.11235	1.3
175.14790	5.2
177.05469	2.1
177.12718	0.8
179.14304	0.9
181.10083	2.0
182.10913	1.1
183.11668	8.7
185.09637	1.0
185.13228	14.8
187.14812	6.8
189.12701	4.9
189.16371	2.0
191.14275	1.8
195.11679	0.8
196.12479	1.1
197.05936	0.9
197.13237	7.2
198.13831	0.7
199.14784	11.6
201.16371	6.8
203.14310	1.8
207.13814	6.2
211.14792	11.1
212.15363	0.8
213.16353	6.9
214.16991	0.8
215.17963	4.2
217.12000	0.7
217.15826	1.9
219.17389	1.6
223.14784	1.3
225.16356	10.4
229.15958	0.7
233.19064	1.1
237.16307	2.1
239.14311	0.8
239.17953	7.6
241.19447	2.8
243.17552	1.5
252.18652	2.6
253.19482	2.6
255.21098	5.5
266.20306	1.8
281.17639	18.9
281.22568	76.5
282.17819	1.2
282.22992	3.7
299.05524	3.9
299.09039	3.8
299.20056	9.0
299.23599	66.6
300.23886	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	299.2362
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
51.97658	0.5
53.03937	1.1
55.05501	7.7
57.07066	1.0
65.14426	0.6
67.05492	12.9
67.05820	1.0
69.07054	7.0
70.01940	2.4
71.05019	0.6
79.05476	11.9
81.07042	49.6
83.04993	1.2
83.08202	0.6
83.08595	3.5
85.06614	0.6
86.66219	0.6
88.27286	0.6
91.05465	14.7
91.05993	1.3
93.07025	23.1
95.04988	1.5
95.08588	23.4
97.06527	2.0
97.10168	2.6
101.15862	0.6
103.05461	1.0
105.07009	23.2
107.08574	22.5
109.06501	1.1
109.10134	15.0
111.11676	0.8
115.05390	1.4
117.06982	8.1
119.08559	19.3
121.06518	1.1
121.10117	14.2
123.08042	1.1
123.11679	5.4
128.06203	2.4
129.06981	6.8
130.07762	1.7
131.08537	21.3
131.09491	1.3
133.06483	0.7
133.10107	29.0
135.11670	12.3
137.09618	2.2
137.13249	3.1
141.06985	2.5
142.07747	5.2
143.08528	13.0
144.09283	1.9
145.10089	23.9
147.11665	13.6
149.09615	6.1
149.13223	17.0
149.14340	1.1
151.11151	7.9
155.08507	6.9
156.09326	2.2
157.10095	32.0
159.11664	25.9
161.09578	0.8
161.13232	14.4
162.13585	0.7
163.11166	2.9
163.14760	3.2
165.12752	1.2
167.08534	1.1
168.09309	1.7
169.10097	8.8
170.10841	1.4
171.11659	13.8
173.13222	14.6
175.11172	7.3
175.14781	7.9
177.12782	1.5
177.16245	0.7
181.10098	1.3
182.10921	2.1
183.11665	13.7
184.12376	2.1
185.13219	17.3
186.13632	0.6
187.14801	8.0
189.12758	2.5
189.16377	1.4
191.14278	1.7
195.11685	1.6
196.12497	1.2
197.13223	13.4
198.13983	1.5
199.14767	15.9
200.15340	1.0
201.16342	14.4
203.14349	2.1
203.17874	1.4
205.15855	0.7
209.13260	1.5
210.14011	1.5
211.14777	14.8
211.16722	1.1
212.15425	1.4
213.16347	8.4
214.16864	0.8
215.14470	0.9
215.17990	3.5
217.15877	0.9
217.19530	1.2
223.14728	1.8
224.15579	1.0
225.16339	14.6
225.18477	1.1
226.17056	1.2
227.17958	1.3
229.15881	1.5
229.19490	1.1
237.16347	2.3
238.17104	1.6
239.17894	17.0
240.18463	0.9
241.19438	4.0
243.17455	1.9
251.17934	1.7
252.18692	1.8
253.19482	8.4
255.21066	1.9
266.20215	0.7
271.20670	0.9
274.50668	0.6
281.22583	93.9
282.22906	5.1
299.05518	1.2
299.23630	100.0
300.23969	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	299.2364
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03939	1.3
55.05501	6.5
57.07066	1.1
58.94815	0.6
65.03912	1.1
67.05498	10.7
67.79896	0.7
69.03398	0.8
69.07052	6.0
70.21051	3.7
73.71064	0.6
79.05477	9.8
79.28548	0.6
81.07043	37.1
83.04969	0.8
83.08585	2.7
83.93059	0.7
91.05457	10.5
93.07025	16.4
95.04906	0.9
95.08588	21.7
97.06497	2.3
97.10141	2.1
105.07011	21.7
107.08572	18.0
109.06487	1.6
109.10136	13.4
115.05389	0.9
117.06992	6.4
119.08559	16.7
121.06520	1.2
121.10136	13.0
123.08036	1.2
123.11710	3.8
128.06227	1.8
129.06972	6.2
131.08542	16.2
133.10106	23.0
135.08026	1.3
135.11652	10.9
137.09579	1.7
137.13217	2.0
141.06982	2.8
142.07748	4.2
143.08545	11.1
144.09315	2.5
145.10100	21.7
147.11670	13.8
149.09601	1.6
149.13226	12.5
151.11154	5.8
155.08543	7.0
156.09340	1.9
157.10101	27.1
158.10803	1.5
159.11670	22.2
161.09662	0.9
161.13231	12.6
163.11136	2.4
163.14806	2.5
165.12706	0.8
168.09288	1.6
169.10110	11.4
170.10876	2.2
171.11668	13.6
173.09491	0.8
173.13235	15.0
175.11172	6.3
175.14772	6.0
177.12720	2.3
181.10092	1.9
182.10876	2.4
183.11662	14.5
184.12402	2.2
185.13228	15.8
187.14780	8.5
189.12685	2.3
189.16417	0.9
191.14267	2.8
195.11653	1.6
196.12448	2.7
197.13220	12.4
198.13881	1.1
199.14781	16.3
200.15282	1.2
201.05771	0.8
201.12737	1.0
201.16347	12.4
203.14250	2.4
209.13260	1.8
210.13957	1.4
211.14772	16.1
211.16699	1.1
212.15506	1.3
213.16321	8.8
215.14311	1.5
215.17902	2.8
217.15793	2.4
223.14897	1.6
225.16324	16.5
226.16997	1.8
227.17822	2.7
229.15831	1.9
237.16302	1.5
238.17125	1.0
239.17897	18.5
241.19484	4.4
243.17303	1.7
251.17949	1.1
252.18683	1.5
253.19467	5.1
266.20282	1.5
281.22583	92.9
282.22836	3.7
299.23639	100.0
300.24011	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	299.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98116	0.3
53.03935	0.9
55.01869	0.6
55.05504	7.7
56.48626	0.3
57.03435	0.6
57.07063	1.5
59.04987	0.9
65.03934	1.0
67.05495	18.6
68.25649	0.4
69.03410	1.6
69.06703	0.7
69.07057	8.2
69.50838	0.3
71.04988	0.8
71.33616	0.4
71.62433	0.3
71.62867	0.4
77.03957	0.4
79.05481	15.9
81.03406	0.5
81.07047	31.4
82.07367	0.4
83.04971	4.9
83.08608	6.8
85.06532	1.1
91.04600	0.4
91.05466	14.5
93.07032	28.9
94.07382	0.4
95.04971	2.5
95.08595	28.5
96.08916	0.7
96.44605	0.4
97.06532	1.3
97.10158	2.2
103.05431	0.6
105.04476	0.4
105.07015	23.0
106.07342	0.4
107.04971	0.8
107.08582	30.1
108.08927	0.5
109.02896	0.6
109.06511	2.2
109.10138	20.7
111.08064	2.9
113.07942	0.5
115.05419	0.5
117.06991	4.6
119.08566	27.2
120.08909	0.6
121.02882	0.5
121.06498	1.2
121.10129	29.0
123.08040	3.7
123.11694	6.8
125.09590	0.7
128.06140	0.6
129.06113	0.6
129.06981	3.7
130.07698	0.4
131.08554	9.4
133.06544	0.4
133.10114	20.2
134.10474	0.4
135.08041	19.3
135.11673	68.0
136.07529	0.9
136.08421	0.6
136.12022	1.7
137.06000	0.8
137.07881	1.2
137.09598	9.4
137.13240	7.1
141.06967	1.3
142.07756	1.1
143.08534	6.3
144.09305	1.1
145.10103	14.5
147.04395	0.4
147.08052	0.8
147.11665	27.5
148.11995	0.4
149.09625	5.3
149.13242	8.8
151.11183	5.1
151.14793	0.5
153.12711	0.4
154.08597	1.5
155.08656	3.1
156.09355	0.8
157.06447	0.4
157.10097	8.4
159.08081	0.6
159.11673	22.5
160.12021	0.8
161.09645	2.4
161.13235	33.6
162.13565	0.9
163.11145	6.1
163.14807	5.3
165.12733	1.3
168.09390	0.4
169.10103	2.4
171.11658	7.0
172.12109	0.5
173.09683	0.4
173.13234	8.5
173.14648	0.5
175.11168	2.7
175.14807	5.9
177.11191	0.5
177.12730	10.5
177.16371	0.6
178.13066	0.4
179.14284	5.8
181.10155	0.4
182.10965	0.6
183.11670	3.7
185.13248	8.7
187.11171	0.5
187.14816	4.9
189.12721	5.6
189.16371	6.5
191.14294	4.2
197.13234	3.8
198.14020	1.5
199.14798	9.8
201.12669	0.5
201.16373	4.8
203.14285	4.7
203.18030	0.5
205.15857	3.2
211.14790	5.8
212.15536	0.8
213.12733	0.5
213.16354	2.9
215.17923	5.1
217.15849	9.0
223.14818	0.4
225.16360	6.4
226.17026	0.6
227.17917	37.9
228.18303	1.3
229.15800	0.9
231.17348	1.0
239.17937	2.8
241.19400	2.2
243.17448	2.4
243.21039	0.7
252.18904	0.4
253.12268	0.4
253.19556	2.5
255.21107	0.8
257.18884	0.4
257.22659	1.7
271.12988	0.4
271.20795	0.5
271.24142	1.5
281.22592	32.2
282.22906	1.9
299.05740	0.9
299.16577	2.7
299.20364	3.9
299.23639	100.0
300.09732	0.4
300.20761	0.6
300.23978	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	299.2362
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03949	1.2
55.05502	6.9
55.91236	1.1
64.04593	1.2
67.05499	14.6
69.03419	1.6
69.07047	8.3
69.49061	6.4
69.49483	3.6
73.13673	1.2
77.70516	1.2
79.05483	14.0
81.07041	30.0
82.63292	1.1
83.04964	3.7
83.08611	5.8
91.05468	13.2
93.07032	26.6
95.04978	1.4
95.08593	28.0
97.10121	2.4
98.21442	2.7
105.07010	21.3
107.08575	29.6
109.06506	1.3
109.10130	20.8
111.08012	2.8
117.07001	3.5
117.85568	1.5
119.08563	24.5
121.06458	1.5
121.10122	28.9
123.08036	3.4
123.11697	6.8
129.06956	2.9
131.08539	8.3
133.10109	21.4
133.36789	1.2
135.08044	17.1
135.11674	73.1
136.11978	2.1
137.09628	8.0
137.13257	7.5
143.08545	4.4
145.10089	12.8
147.11665	28.5
149.09604	6.1
149.13239	8.5
151.11154	3.5
155.08514	2.5
157.10098	8.4
159.11659	18.1
161.09624	1.9
161.13239	37.6
163.11124	6.4
163.14786	4.4
165.12624	1.7
169.10118	2.6
171.11647	5.2
173.13185	8.3
173.52507	1.2
175.11194	2.6
175.14767	5.8
177.12729	8.6
179.14337	5.8
183.11717	2.7
185.13182	7.1
187.14729	6.1
189.12671	5.6
189.16315	6.7
191.14270	4.3
197.13260	3.8
199.14763	9.2
200.15269	1.4
201.16365	3.1
203.14313	5.1
205.15845	3.5
211.14787	6.6
213.16393	2.2
215.17932	5.8
217.15860	7.9
225.16299	6.9
227.17906	40.5
239.17854	2.6
243.17354	3.3
253.19473	3.2
257.22620	2.1
258.71286	1.4
271.24210	1.5
281.22604	31.1
299.23645	100.0
300.23932	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	299.2364
Annotation	3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
Peak:m/z	Relative Intensity
53.03918	1.7
55.05506	5.2
57.07064	0.8
65.03922	1.0
67.05493	17.5
69.07054	6.6
70.20284	3.1
71.04984	1.9
79.05478	16.5
81.07045	100.0
82.07352	0.9
83.04942	0.8
83.08598	5.7
85.06528	5.7
91.05464	15.8
93.06461	1.4
93.07029	25.5
95.04966	1.9
95.08591	31.5
96.08926	1.0
97.06527	2.0
97.10149	2.4
97.87888	0.8
98.21436	0.8
101.17480	0.9
105.07013	23.9
106.07372	0.8
107.08572	21.0
107.73260	0.8
109.06489	0.8
109.10140	14.8
113.09613	1.8
115.05420	1.4
117.06995	9.5
117.31938	0.7
119.04842	0.9
119.08553	17.4
119.09344	1.4
121.10121	11.9
123.08041	0.9
123.11690	6.7
128.06184	2.2
129.06982	6.8
130.07703	1.4
130.63538	0.7
131.08549	19.4
133.10117	17.9
135.11670	12.3
135.62761	0.7
137.09523	1.0
137.13220	1.8
141.06955	2.2
142.07774	7.6
143.06584	0.8
143.08545	11.5
145.09035	1.7
145.10104	25.0
147.11662	15.6
149.09569	1.1
149.13254	6.6
151.11111	1.6
153.12679	1.9
154.07658	0.7
155.08530	5.6
156.09290	2.0
157.10106	39.0
159.07985	1.4
159.11673	26.0
161.13234	13.4
163.11067	1.1
163.14778	3.6
165.12799	1.1
167.08450	1.0
169.10088	5.7
170.10771	1.4
171.11679	12.7
173.13231	11.7
175.11122	1.9
175.14777	5.0
177.16432	1.0
182.10843	1.1
183.11647	7.1
184.12350	1.5
185.13231	13.3
187.14780	6.3
189.12720	1.9
189.16260	1.5
195.11568	1.7
196.12502	1.3
197.13254	7.7
198.13965	1.4
199.14760	11.7
201.16331	8.6
203.14104	1.7
211.14771	10.3
212.15547	1.1
213.16322	5.2
215.18005	4.2
217.15707	1.7
219.17520	1.4
223.14883	1.0
225.16342	10.3
227.18005	1.4
233.18996	1.8
237.16357	1.8
239.17914	8.0
241.19376	1.6
243.17497	1.0
252.18585	3.6
253.19527	2.3
255.21019	7.0
266.20251	2.1
281.22589	92.6
282.22934	2.5
282.74231	0.9
299.20300	3.3
299.23615	67.4
300.23959	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	299.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.7
55.05499	6.6
64.83587	0.7
67.05498	11.5
69.07069	6.6
70.01404	3.7
79.05479	10.9
81.07040	40.1
83.04945	1.1
83.08589	3.4
91.05464	9.5
93.07026	15.7
95.04955	1.2
95.08589	21.0
97.06486	1.8
97.10141	2.1
105.07012	16.6
107.08564	15.9
109.06472	1.2
109.10139	13.0
115.05434	0.9
117.06986	5.7
119.07775	1.4
119.08555	17.6
121.10120	10.6
123.11687	4.9
128.06189	2.0
129.07005	4.6
131.08537	15.4
133.10107	20.3
135.11662	9.3
137.09525	1.6
137.13193	2.2
141.06947	2.6
142.07751	4.9
143.08539	13.1
144.09286	1.8
145.09029	1.4
145.10101	22.0
147.11647	9.9
149.09592	1.5
149.13229	10.9
151.11127	4.5
155.08530	6.6
156.09312	2.4
157.10088	29.7
158.10661	0.9
159.11659	21.5
160.12086	0.9
161.13226	9.7
163.11177	2.8
163.14809	2.6
167.08557	1.4
168.09351	1.7
169.10103	10.7
171.11662	15.5
173.13225	12.7
175.11137	4.4
175.14795	7.1
177.12808	1.5
181.10103	1.4
182.10902	3.4
183.11659	16.2
184.12419	1.4
185.13228	16.6
187.14789	7.7
189.12691	2.1
191.14220	1.3
195.11679	2.7
196.12476	3.4
197.13199	14.8
198.13878	1.5
199.14790	15.3
200.15308	1.0
201.12825	1.0
201.16328	11.4
203.14204	2.2
210.14006	1.5
211.14778	18.6
212.15446	2.6
213.16357	9.2
215.14365	1.0
215.17889	2.2
217.15811	1.7
223.14780	1.8
225.16344	15.8
226.17046	1.7
227.17928	2.1
229.15936	2.1
231.17400	1.3
239.17883	20.5
240.18512	1.2
241.19438	5.6
243.17339	1.8
244.48615	0.8
251.17879	1.1
252.18599	1.9
253.19521	4.2
255.20959	2.0
257.18826	1.1
264.73477	0.8
266.20224	2.0
270.83405	0.9
281.22586	97.9
282.22922	2.8
299.23624	100.0
300.23904	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15511	0.6
53.03924	0.9
55.05252	0.9
55.05497	8.4
57.03418	0.7
57.07042	1.5
65.03907	0.7
67.05492	15.9
69.03402	1.7
69.07051	8.6
69.87811	3.3
77.03906	0.7
78.35526	0.5
79.05479	17.0
81.03430	0.6
81.07040	31.4
81.64934	0.5
83.04962	5.1
83.08150	0.6
83.08602	7.2
85.06516	1.0
89.92623	0.5
91.05461	13.7
93.07025	27.4
95.04926	2.1
95.08588	27.1
95.09111	0.5
95.09212	0.8
95.65610	0.5
97.06499	1.6
97.10152	2.4
98.51927	0.6
100.42377	0.6
105.07011	22.9
107.08577	29.0
109.06504	2.8
109.10131	19.6
111.08049	3.5
117.06982	4.9
119.08554	27.9
121.06488	0.9
121.10116	26.0
123.08026	3.7
123.11675	6.4
125.09570	1.2
129.06982	3.6
131.07570	0.7
131.08540	9.9
133.09090	1.0
133.10103	20.4
135.08041	18.7
135.11659	67.9
136.11986	2.1
137.09604	8.2
137.13223	7.1
141.06888	0.8
142.07739	1.1
143.08534	5.0
144.09369	0.9
145.10095	13.1
146.10564	0.6
147.11656	26.0
149.09584	5.3
149.13231	8.3
151.11157	4.8
151.14796	0.7
152.11507	0.5
154.08620	0.7
155.08554	2.3
157.10107	7.7
158.10867	0.7
159.11664	20.1
161.09590	2.3
161.13223	35.2
162.13522	0.9
163.11142	4.7
163.14772	6.9
165.12733	1.4
168.34506	0.6
169.10066	2.7
170.10820	0.8
171.11649	8.2
173.09612	0.8
173.13220	8.7
175.11153	2.3
175.14767	5.7
177.12701	9.0
177.16292	1.1
179.14273	5.5
183.11678	2.7
184.12392	0.7
185.13245	8.3
187.14758	5.2
189.12711	5.6
189.16341	6.9
191.14258	4.4
197.13232	3.3
198.14000	1.5
199.14795	8.5
201.16336	3.7
203.14235	5.1
205.15810	3.2
211.14760	5.5
212.15413	0.8
213.12793	0.7
213.16325	3.0
215.17903	5.4
217.15826	8.7
224.15382	0.7
225.16287	5.3
226.17036	0.7
227.17899	40.2
228.18199	1.5
231.17384	1.2
237.16225	0.7
239.17917	2.9
241.19484	2.3
243.17361	2.3
243.21188	0.6
250.54352	0.6
253.19478	1.3
255.20906	0.9
257.22583	1.8
271.24164	2.1
281.22574	32.0
282.22931	2.2
299.16528	2.1
299.23624	100.0
300.24033	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	299.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
54.47608	1.4
55.01859	4.6
55.05502	22.1
57.03423	5.8
57.07063	4.8
57.56342	1.5
59.04971	3.0
65.03940	3.3
67.05494	55.5
69.03414	5.5
69.07055	16.4
69.40950	9.7
69.41375	6.2
71.04976	6.3
73.06541	2.3
79.05478	65.1
81.03408	8.1
81.07043	100.0
83.04964	11.9
83.08601	13.4
85.06525	9.5
91.05466	58.7
91.06062	1.9
93.07028	89.7
94.07343	2.7
95.04954	22.5
95.08591	51.3
95.95439	1.7
97.02878	1.7
97.06503	7.5
97.10151	6.4
99.04348	1.7
99.08081	1.9
102.80357	2.0
103.05486	2.3
105.03410	1.6
105.07011	60.0
107.04942	5.4
107.08573	34.6
109.06507	8.4
109.10143	26.2
111.08056	4.2
111.11726	2.1
113.09675	1.9
115.05430	2.9
117.06982	13.7
119.08556	41.1
121.02810	1.6
121.06490	7.0
121.10118	20.3
122.06799	2.2
123.08061	7.6
123.11671	8.7
125.09616	3.2
127.07535	3.2
128.06201	3.5
129.06964	22.1
131.04900	1.9
131.08537	23.1
133.06485	2.6
133.10118	27.0
135.08054	5.9
135.11687	13.4
136.18185	1.4
137.02309	2.7
137.05957	2.3
137.09586	3.5
137.13268	3.9
141.06995	4.5
142.07774	6.1
143.08548	23.3
145.06378	2.0
145.10094	36.4
147.04384	2.1
147.08026	4.4
147.11662	52.9
149.09587	2.9
149.13245	5.5
151.11137	2.4
155.08543	6.5
156.09337	4.7
157.10107	32.3
159.08055	5.2
159.11676	24.8
161.09581	9.7
161.13225	22.1
163.11115	2.3
163.14827	3.1
165.05431	2.0
165.40530	1.6
169.10100	12.3
171.08057	1.9
171.11671	43.2
173.09648	3.5
173.13260	11.9
175.11165	5.2
175.14795	7.4
177.05403	8.8
177.09070	1.8
177.12729	1.4
179.08527	1.6
179.14285	2.4
181.10062	2.1
182.10956	1.5
183.08055	2.0
183.11662	9.6
185.13264	14.0
187.14818	6.2
189.09114	1.8
189.12697	16.5
195.11667	2.6
196.12607	1.9
197.13234	10.7
199.14793	13.3
201.16342	7.4
203.10585	2.2
207.11848	2.5
207.13745	26.5
209.13332	1.9
211.14766	12.3
213.12799	2.6
213.16406	4.8
215.14281	2.3
217.15825	2.2
223.14824	2.0
225.12857	2.1
225.16367	9.8
227.17923	1.9
237.16231	2.6
239.14296	2.3
239.17969	10.9
241.19632	2.9
252.18727	2.4
253.12379	1.7
253.16006	2.2
253.19543	5.1
255.21092	4.9
257.18829	1.6
260.37442	1.6
263.20175	2.2
281.17413	77.2
281.22424	52.9
281.25577	2.6
299.05576	11.3
299.09189	10.0
299.12677	3.1
299.16263	6.3
299.20004	26.0
299.23642	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	299.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
52.46532	2.0
53.03935	6.0
54.80893	1.6
55.01858	3.1
55.02686	1.8
55.05299	1.5
55.05509	18.5
57.03436	8.7
57.07069	3.1
57.30387	1.8
65.03921	2.2
67.05496	57.0
69.03417	2.6
69.07060	16.5
70.78027	3.6
71.04982	5.3
73.06548	2.1
73.42186	1.8
73.80276	1.8
79.05483	73.6
79.05956	3.8
81.03407	6.5
81.07046	44.4
83.04973	15.8
83.08632	8.4
85.06541	4.5
89.67164	2.0
91.05472	63.8
93.07033	93.2
95.04948	18.4
95.08588	29.6
97.06518	6.7
97.10152	5.7
105.04485	2.3
105.07014	49.9
106.07371	1.8
107.04942	6.4
107.07943	2.6
107.08593	22.9
109.06496	8.0
109.10139	7.4
109.10814	1.7
111.08080	2.1
115.05427	2.0
117.07010	7.4
119.08562	31.9
121.06539	2.6
121.10130	7.0
123.08064	5.9
123.11725	2.6
125.09679	1.9
127.07557	1.8
128.06186	1.9
129.06998	18.5
131.08586	9.0
133.06532	1.8
133.10130	16.2
135.11684	2.6
137.02287	2.1
137.13232	1.9
143.08508	12.7
145.10112	17.0
147.11673	50.3
149.13271	2.0
155.08511	2.7
156.09306	1.9
157.10138	5.7
159.08054	10.0
159.11670	6.2
161.09610	8.7
161.13257	15.7
169.10100	2.4
171.11665	38.0
173.13251	3.6
175.14847	2.6
183.08122	2.1
183.11699	2.8
185.13243	1.7
189.12706	16.1
197.13292	2.8
199.14772	1.9
201.16420	1.8
207.13762	32.5
213.16356	2.1
225.12753	1.9
229.12111	1.9
239.17912	2.5
240.79088	1.7
253.19412	3.4
281.17429	100.0
281.22635	9.5
282.17697	5.1
287.85153	1.8
299.05988	3.2
299.09039	2.9
299.16718	2.2
299.20023	15.9
299.23672	11.8
305.75803	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2735
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
53.03925	0.9
53.27045	0.9
55.01855	1.0
55.05504	11.5
56.05031	4.5
56.63515	0.9
57.03429	1.0
57.07069	4.0
58.02961	1.1
58.06581	0.8
60.04517	2.7
67.05495	13.8
68.05017	1.7
69.03426	3.1
69.07056	13.4
74.06110	0.8
77.25290	0.7
79.05482	8.9
80.05025	2.3
81.03433	1.3
81.07040	15.4
82.06574	5.0
82.74821	0.8
83.04990	1.8
83.08601	7.2
85.02883	1.4
85.10164	1.2
86.06075	2.8
91.05461	7.9
93.07018	7.6
94.06557	2.9
95.04960	1.9
95.07327	1.1
95.08590	10.4
96.08134	1.8
97.06532	0.9
97.10129	3.9
98.06097	1.2
100.07604	2.2
105.07036	4.3
107.08582	5.5
109.10121	5.7
112.07578	0.9
117.06985	1.7
119.08553	3.4
121.10120	3.3
122.09655	1.1
123.08038	0.9
123.11702	2.0
133.10101	3.7
135.08060	2.8
135.11700	2.6
136.06160	2.0
143.08488	0.9
145.10129	1.7
147.11668	2.3
157.10144	0.9
159.11639	1.0
165.32220	0.9
197.13210	1.5
212.74214	0.9
245.22781	1.1
250.25255	6.0
253.19429	1.3
262.25314	3.4
280.26303	100.0
281.26663	2.8
291.15549	0.9
298.22424	3.1
299.20093	2.1
299.23456	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1121
Annotation	Picein
Peak:m/z	Relative Intensity
50.96981	0.4
55.01840	0.5
55.05493	0.6
57.07068	0.9
67.05486	1.5
69.03410	1.4
69.07044	1.2
70.06561	0.5
71.04955	0.6
71.08546	0.5
71.62083	0.6
75.57868	0.5
75.82489	0.4
78.98839	0.5
79.05473	0.9
81.03400	1.1
81.07045	2.3
83.04972	0.6
83.08610	0.8
84.08136	0.5
85.02877	2.2
85.06556	0.9
86.09686	1.7
91.05459	1.5
91.76961	0.5
93.07011	1.3
95.04951	1.1
95.08602	1.0
96.01195	0.5
96.04478	1.3
97.02892	1.4
99.04458	0.7
101.06010	0.5
103.05463	0.5
105.07038	0.6
107.04897	0.5
107.08563	0.9
109.02821	0.7
109.06532	1.0
109.10159	0.7
119.04916	0.9
121.02829	1.4
121.06422	0.5
124.03937	0.5
124.07581	0.6
127.03876	0.6
127.07541	0.5
133.10071	0.5
137.02371	5.6
137.05956	100.0
138.06299	1.7
141.06987	0.7
147.04419	2.5
147.07988	0.5
151.07535	0.7
155.03354	0.8
163.03876	0.6
163.07532	0.6
167.06985	0.7
175.07649	0.6
179.07045	0.6
197.05812	0.7
201.05383	0.9
205.10605	0.5
215.06943	1.3
253.05049	0.7
266.99969	0.8
271.06061	2.6
299.05685	8.1
299.09610	0.7
299.16956	1.1
299.19992	0.5
316.11368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	4.0
55.05502	44.4
57.01779	2.8
57.03408	5.3
69.03406	14.5
70.06580	4.9
71.62373	4.8
81.03399	7.8
81.07036	3.9
83.08140	6.3
83.08604	100.0
83.25236	2.8
84.08112	9.8
85.02896	17.8
93.06996	5.7
96.04444	3.4
97.02839	8.4
101.05972	11.4
101.09637	49.6
105.03383	2.8
109.02846	7.2
119.07067	3.3
119.10671	70.7
121.02820	10.6
121.06479	4.0
124.07587	3.1
127.03878	10.4
136.06171	39.0
136.07278	4.3
136.07538	3.8
137.02333	18.3
137.05949	48.8
145.04977	4.0
147.04382	7.9
154.08621	3.0
163.03935	3.5
179.03287	4.4
193.10867	5.3
201.07556	6.4
219.08557	9.3
234.13045	4.0
234.76254	3.4
235.09592	3.7
236.12788	6.8
239.11357	13.1
256.01682	3.5
269.73404	2.9
298.15329	4.3
299.06039	15.3
300.06122	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	298.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69526	0.4
53.37286	0.4
55.05500	14.8
57.03428	2.9
59.04989	6.7
61.02906	2.4
69.03419	4.1
69.74505	3.3
73.02912	0.8
73.06541	5.6
81.03397	1.2
83.04958	6.5
85.02889	16.6
91.03918	1.1
91.05466	0.5
95.43400	0.4
97.02870	3.7
99.04456	1.0
101.05997	100.0
102.06321	1.5
107.04932	2.3
109.02879	1.4
117.03311	0.5
119.07034	49.6
120.07349	0.5
121.02820	1.4
127.03875	3.8
136.06165	2.9
144.27481	0.5
145.04927	6.8
152.05621	1.0
163.05972	2.8
166.07245	2.1
239.11409	1.3
262.10690	0.8
280.11798	1.1
292.51199	0.6
298.12018	0.9
298.14969	0.8
299.05966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.6
55.05500	2.4
57.03421	3.8
57.07059	2.1
59.04986	1.7
61.01128	3.4
61.02914	8.2
67.05470	1.3
69.03117	0.8
69.03422	8.5
70.26379	1.6
70.26741	3.9
71.04971	1.1
73.02884	3.1
75.02668	1.5
79.05472	1.2
81.03423	4.9
81.07019	0.9
81.11068	0.7
83.04975	1.1
83.08611	2.2
84.08657	0.9
84.80415	0.8
85.02890	28.3
87.04443	1.1
91.03893	0.9
91.05497	1.0
92.04985	4.2
94.06553	15.1
95.04932	4.2
96.60139	0.9
97.02879	9.2
99.04456	1.9
101.09631	7.9
103.03927	5.7
105.06984	0.9
106.06543	3.8
107.04902	1.1
109.02856	2.8
109.06501	1.1
111.04416	3.7
115.03903	1.1
115.05405	1.6
117.05756	4.7
117.07041	0.9
118.06529	19.8
119.04942	2.1
119.10685	1.0
120.04446	55.9
120.08068	0.8
120.78366	0.8
121.02864	1.5
123.04439	8.4
127.03912	5.1
129.06937	1.1
130.06505	12.3
132.04422	3.1
132.08070	29.2
134.06000	0.9
136.06163	68.1
136.07542	31.4
137.05928	1.5
139.03882	13.8
141.05476	0.9
142.06490	1.1
143.07275	0.9
144.08034	2.0
145.04932	2.8
146.05989	76.8
147.04376	6.0
148.07559	7.8
151.03885	4.1
156.08025	2.3
158.05965	3.0
159.06711	1.6
160.07550	54.4
163.03947	2.2
164.07080	1.5
168.08121	1.4
169.04924	2.0
170.09615	1.1
172.07545	16.1
174.09096	1.5
178.08617	2.6
180.20871	0.8
183.06749	2.1
184.07576	8.9
185.08383	1.1
186.09140	2.5
188.06995	1.3
190.08572	1.6
194.08279	1.0
196.07562	3.3
198.09102	4.6
200.07014	1.2
202.08595	6.8
214.08536	5.4
216.10138	1.4
220.09685	2.1
226.08609	6.0
232.09680	3.0
238.10704	4.6
244.09612	8.8
256.11755	2.8
262.10672	6.7
280.11749	18.4
280.14978	1.1
298.09799	4.7
298.12808	100.0
299.12985	1.3
301.63339	0.9
318.67514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.128
Annotation	Phenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03923	0.9
55.01854	4.4
55.05491	1.6
56.44452	0.7
56.75942	0.6
57.03432	3.5
57.07065	4.5
59.04985	0.8
61.01121	1.3
61.02691	0.6
61.02919	7.2
64.14067	0.6
65.03934	1.4
66.41476	0.6
67.05482	1.8
69.03412	7.9
69.45415	0.7
69.52760	2.5
69.53202	2.5
70.06551	0.8
71.04975	0.7
73.02890	3.0
75.02669	0.8
81.03394	4.0
83.04960	1.6
83.08611	1.5
85.02885	35.0
87.04410	0.9
89.03048	0.6
91.03953	1.2
91.05462	2.4
92.04969	2.7
93.05747	0.9
94.06551	14.5
95.04945	2.9
97.02872	10.1
99.04426	2.2
101.09628	5.5
103.03920	5.1
104.04935	1.4
106.06529	3.0
108.04464	0.8
109.02843	2.7
111.04426	3.4
113.05940	0.9
115.03904	0.9
115.05440	2.2
117.05718	2.8
118.06522	19.8
119.04914	2.0
119.06938	0.7
119.10666	2.1
120.04442	50.9
121.02857	1.8
123.04408	5.4
127.03896	5.7
129.07027	1.0
130.06508	12.2
132.04456	3.2
132.08067	29.9
135.40169	0.6
136.06160	23.0
136.07542	32.4
137.02258	0.9
137.05917	1.0
139.03876	14.0
141.05409	1.1
142.06493	1.0
143.07318	1.2
144.08069	3.2
145.04929	5.7
146.05980	71.5
147.04364	6.7
147.06258	1.3
148.07555	8.4
151.03882	5.0
156.08073	3.5
158.05984	2.9
159.06773	2.0
160.07550	53.3
161.07948	1.0
163.03981	1.4
163.05981	4.1
164.07042	1.5
168.08092	1.0
169.04942	3.0
170.05971	0.7
170.09596	1.3
172.07539	15.1
174.09044	1.1
176.06972	0.8
178.08629	2.3
180.08028	1.6
183.06764	1.6
184.07562	6.9
185.08281	1.2
186.09100	2.1
188.07098	1.0
190.08572	2.1
196.07561	3.0
198.09138	5.4
199.09506	0.9
202.08607	5.6
204.93295	0.7
208.07509	1.4
214.08578	7.3
217.17006	0.7
218.30035	0.6
220.09543	0.8
225.09705	2.4
226.08612	4.6
226.10574	1.2
232.09669	3.0
238.10681	5.4
244.09654	6.4
256.11676	2.6
262.10751	4.8
280.11771	16.6
298.12790	100.0
298.94855	0.7
299.09976	0.8
299.13153	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0962
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
51.20127	0.1
52.46262	0.1
54.35872	0.1
55.01854	0.4
55.05498	0.3
55.47441	0.1
57.03419	0.3
59.04955	0.2
61.01139	5.2
61.02902	0.3
67.05473	0.2
69.03411	0.8
71.62240	0.2
71.62610	0.1
73.48189	0.1
75.02690	2.4
81.03387	0.3
83.04935	0.2
83.08598	1.1
85.02890	1.7
86.09685	0.1
87.04450	0.2
91.05465	0.2
92.04961	0.2
94.04047	0.4
94.06551	0.8
95.04977	0.3
97.02870	2.4
99.04440	0.2
101.09635	0.7
103.02145	0.5
103.03889	0.2
104.05006	0.2
106.06502	0.3
109.02868	0.3
111.04443	0.3
113.56815	0.1
117.05702	0.2
118.06524	1.2
119.03529	0.5
120.04438	3.0
121.78628	0.1
123.04391	0.4
127.03875	0.3
130.06514	0.7
132.04507	0.1
132.08061	1.0
136.06158	100.0
137.04564	0.3
137.06609	1.1
139.03868	0.5
144.08025	0.2
145.03171	1.4
145.04950	0.4
146.05977	3.1
148.07545	0.5
151.03917	0.2
156.08098	0.2
158.05998	0.2
159.06825	0.2
160.07552	2.1
163.04210	1.3
163.06038	0.2
164.06999	0.3
172.07516	0.8
178.08577	0.1
184.07532	0.4
190.08525	0.2
198.09082	0.2
202.08630	0.2
214.08632	0.4
226.08569	0.1
232.09624	0.2
238.10738	0.6
239.11385	0.1
244.09698	0.3
256.11652	0.2
262.10712	0.3
280.11603	1.1
298.09637	5.7
298.12860	3.8
299.09973	0.3
299.13589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2208
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
53.03927	0.9
55.05502	5.5
57.03408	0.6
57.07077	0.7
58.71104	0.5
60.36338	0.5
65.03940	1.1
67.05490	18.3
69.03405	1.6
69.07053	4.2
70.03350	2.7
71.04970	0.9
79.05476	10.1
81.07040	52.1
82.07367	1.4
82.12885	0.5
83.04964	3.0
83.08598	2.2
85.06509	0.7
91.05462	24.7
93.07022	15.2
94.07361	0.5
94.39458	0.5
95.04951	1.5
95.08591	14.1
96.08872	0.4
97.06532	1.1
97.10116	0.7
99.43368	0.4
103.05432	0.7
105.07011	40.6
106.07314	0.9
107.05024	0.5
107.08566	13.2
109.06519	1.4
109.10133	6.5
111.08072	1.8
115.05405	1.2
116.06169	0.4
117.06995	12.8
117.07831	0.8
118.07355	0.6
119.08557	18.8
120.08918	0.6
121.10116	10.0
123.08038	2.3
123.11651	2.3
125.09607	1.3
128.06149	1.0
129.06966	4.6
130.07779	1.1
131.08543	27.4
132.08861	0.9
133.10106	77.1
134.10370	3.2
135.04347	0.5
135.08034	7.6
135.11658	10.3
135.12672	0.6
137.09595	3.5
137.13211	1.5
141.06950	2.2
142.07764	1.4
143.08546	8.6
144.09329	0.8
145.10095	21.8
146.10493	1.0
146.24136	0.5
147.04396	0.7
147.08009	0.7
147.11658	15.1
147.12773	0.9
148.12027	0.6
149.09599	1.3
149.13214	3.6
151.11150	1.9
154.07629	0.5
155.08533	8.3
156.09242	0.6
157.10103	16.2
158.10464	0.9
159.11659	23.0
160.12054	1.4
161.09674	1.3
161.13226	7.3
163.11154	7.8
163.14769	0.8
165.06969	0.9
165.12706	1.4
167.08504	1.4
168.09259	0.7
169.10097	5.0
171.11653	6.1
172.12012	0.6
173.09618	0.8
173.13220	6.7
173.16251	0.5
175.11160	2.4
175.14784	2.0
177.12717	4.1
179.14348	0.8
181.10135	3.4
182.10880	0.6
183.11639	6.2
184.12325	0.6
185.13211	6.8
187.11147	6.0
187.14795	4.0
189.12711	2.2
191.14256	1.3
193.10193	0.6
195.11694	3.0
196.12285	0.7
197.13223	4.0
199.11314	0.6
199.14769	5.6
201.12758	2.9
203.14221	1.3
209.13202	4.2
211.14821	2.5
213.16333	10.5
215.14255	1.4
217.15800	1.2
223.14772	4.8
224.15547	0.6
225.16330	16.6
226.16682	1.2
227.14388	0.8
229.15839	1.2
231.17377	2.4
237.16327	1.4
239.17937	1.6
241.15848	1.3
241.19542	0.8
251.17888	2.3
253.19385	0.9
255.17331	0.9
255.21060	1.6
269.18857	0.8
269.22617	3.0
279.21014	17.7
280.21246	1.0
297.22067	100.0
298.22388	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	297.2208
Annotation	(11Z)-8,18-methano-retinal
Peak:m/z	Relative Intensity
50.76711	0.3
51.86184	0.3
52.77343	0.3
53.03941	0.9
55.05503	5.3
57.07064	0.9
65.03934	1.1
65.10400	0.2
67.05495	17.4
68.05836	0.5
69.03418	0.7
69.07055	4.2
70.02816	1.5
70.71358	0.3
71.04974	0.4
77.03920	0.3
79.05482	11.4
80.05823	0.3
81.07043	55.3
82.07366	1.2
82.51041	0.3
83.04970	3.6
83.08612	1.8
85.06533	0.9
91.05465	26.0
92.05782	0.5
93.07026	14.3
94.07324	0.4
95.04945	1.4
95.08590	13.7
97.06519	1.2
97.10131	0.8
103.05471	0.8
105.07014	42.6
106.07312	0.5
107.08574	13.5
108.08894	0.5
109.06499	1.3
109.10136	7.5
111.08057	1.7
115.05455	1.1
116.06214	0.6
117.06998	13.3
118.07262	0.4
119.08561	17.8
120.08920	0.7
121.06473	0.4
121.10123	10.5
121.11002	0.5
123.08073	2.3
123.11681	3.5
125.09624	0.8
128.06198	1.1
129.07001	4.7
130.07751	1.2
131.08546	28.2
132.08884	0.6
133.10109	85.8
134.10510	2.3
135.08035	7.8
135.11664	11.1
136.12016	0.3
137.09586	4.2
137.13199	1.3
137.75548	0.3
141.06914	2.2
142.07755	2.4
143.08534	7.8
144.09267	1.2
145.10097	23.1
146.10437	0.6
147.07974	0.5
147.11659	15.9
148.11975	0.5
149.04892	0.3
149.09605	1.8
149.13234	4.6
150.09816	0.3
151.11159	1.6
154.07864	0.3
155.08531	10.3
156.09160	0.7
157.10106	16.0
158.10735	0.5
159.08072	0.5
159.11665	22.9
160.12144	0.9
161.09563	1.4
161.13235	7.0
162.13612	0.5
163.11153	7.7
163.14787	1.4
165.12723	1.2
167.08490	1.3
168.09303	0.9
169.10094	3.5
170.10805	0.4
171.11673	6.2
172.11977	0.4
173.09618	0.7
173.13232	5.4
175.11162	2.2
175.14796	3.2
177.12708	5.0
179.08492	0.4
179.14183	0.5
181.10114	2.8
182.10831	0.6
183.11639	5.9
184.12344	0.4
185.13237	6.7
186.13795	0.5
187.11150	6.1
187.14769	4.1
188.11400	0.4
189.12703	2.4
191.14276	1.5
193.10176	0.4
194.10823	0.4
195.11665	3.1
196.12369	0.6
197.13223	4.1
199.14780	5.5
201.12758	2.8
201.16342	0.5
203.14294	1.5
209.13199	3.8
210.13884	0.9
211.14795	2.4
213.12933	0.5
213.16345	10.4
214.16731	0.5
215.14299	1.3
217.15787	1.1
221.13185	0.3
223.14789	4.4
225.16341	16.5
226.16776	1.5
227.14232	0.7
227.17957	0.7
229.15810	1.4
230.16556	0.4
231.17384	2.6
236.15538	0.3
237.16295	1.7
239.17906	1.7
241.15927	1.9
241.19447	1.2
243.17429	0.7
249.16441	0.5
250.16983	0.4
251.17934	2.1
253.19507	1.1
255.17455	1.4
255.21107	1.8
264.18658	0.6
269.19025	0.9
269.22565	3.4
279.21024	16.8
280.21393	1.2
297.22079	100.0
298.22397	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	296.2006
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
53.03938	1.5
55.01842	0.4
55.30878	0.2
67.35709	0.2
70.21569	0.7
70.21987	0.5
77.03902	0.4
81.07050	0.4
87.22335	0.2
91.04893	0.5
91.05464	8.1
93.07027	15.4
95.04945	3.2
103.05453	9.9
105.04494	0.5
118.06512	3.1
121.06483	89.4
122.06792	1.1
132.08040	1.1
133.08862	0.7
134.09641	0.4
146.09645	0.8
149.39702	0.3
162.63882	0.2
164.71986	0.2
174.96904	0.3
176.14317	60.1
177.14691	1.0
238.30598	0.2
296.20041	100.0
297.20383	2.7
309.86420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1691
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
53.03936	7.8
55.01862	8.6
55.05498	9.5
56.96848	2.2
57.03431	16.5
59.04978	3.2
61.02913	14.6
67.05161	3.1
67.05494	31.0
68.30546	2.0
69.03415	51.1
69.07050	9.8
69.28336	27.4
69.28677	4.9
69.91795	2.4
71.01352	5.4
71.04988	14.3
71.18961	2.0
73.02906	10.3
79.05483	26.9
81.03404	27.7
81.07043	44.6
83.04972	10.1
85.02892	64.6
85.06532	3.2
87.04456	7.5
91.03950	2.5
91.05459	25.7
93.07027	100.0
94.01392	2.2
95.04950	16.4
95.08585	31.5
97.02866	38.6
97.06509	8.8
99.04436	17.7
101.02390	2.5
103.03928	11.5
105.07006	49.7
106.49337	2.1
107.04955	7.4
107.08574	92.3
109.02839	11.5
109.06492	12.0
109.10135	28.6
111.04443	7.5
113.05951	2.8
114.38588	2.2
115.03909	7.1
115.05445	3.2
117.07002	9.8
119.08575	32.9
121.06480	12.8
121.10130	54.6
123.04395	5.5
123.08081	5.5
123.11689	12.9
125.05949	5.3
127.03908	23.8
129.05481	4.9
129.06982	6.6
131.08551	21.0
133.04964	3.5
133.06468	5.0
133.10110	46.0
135.08028	9.0
135.11671	97.8
136.11989	2.5
137.05980	3.1
137.09630	6.0
137.13277	3.3
141.05446	2.8
141.06944	4.5
142.07777	3.1
143.08545	11.0
145.04950	13.4
145.06496	3.7
145.10089	24.3
147.08017	7.9
147.11658	36.9
149.09637	4.7
149.13255	7.8
151.11174	11.0
153.12712	40.7
155.08463	5.5
157.10104	9.6
159.07954	5.5
159.11646	20.8
161.09605	5.4
161.13240	8.9
163.11191	9.7
165.12721	9.5
169.10103	5.2
171.11644	3.8
173.09625	3.8
173.13284	4.1
175.11147	10.5
177.12753	15.3
183.11589	4.4
187.11183	3.3
189.12675	10.8
197.13235	4.1
201.12779	7.6
205.12177	2.7
207.13731	4.3
215.14346	4.8
219.13765	13.2
225.12709	3.3
231.13763	5.5
243.13785	15.8
246.19205	2.5
249.15039	2.7
261.14804	25.5
279.15866	34.3
280.16183	3.4
297.16916	71.2
298.17188	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	296.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	2.1
55.01846	2.0
55.05299	1.8
55.05508	18.5
57.03419	6.3
59.04987	5.5
61.02900	2.2
65.03941	1.4
65.97623	1.6
66.07690	1.4
66.12038	1.4
69.03427	9.4
69.07059	2.7
70.06587	2.6
70.94907	3.5
70.95259	1.9
72.08145	4.3
72.93761	1.8
79.05486	19.3
79.57742	1.5
81.03398	4.7
81.04543	2.3
81.07049	83.9
83.04974	3.2
83.08613	4.2
84.04500	2.2
84.08106	1.6
85.02899	28.6
89.31494	1.5
91.05428	2.8
95.04915	3.0
97.02865	8.2
99.04424	3.0
99.08083	100.0
100.08437	1.7
101.05988	5.5
103.05462	1.9
105.03393	9.4
107.04970	8.7
109.02857	3.7
110.05999	2.9
110.07180	2.0
117.09130	24.4
120.08112	3.5
122.07131	2.2
127.03894	9.7
132.95789	1.7
135.04460	9.6
139.03842	2.0
145.04947	16.0
150.03709	5.7
150.96887	2.9
152.07079	1.5
163.05978	6.3
163.08662	3.1
168.04779	20.1
172.50119	1.7
174.43166	1.7
186.09137	3.5
196.04248	32.1
197.04494	1.9
204.10188	1.6
232.09537	1.6
233.12709	1.7
237.13420	4.3
250.10680	5.6
251.11110	1.6
255.01628	4.2
296.09164	11.8
297.02640	2.0
297.10400	7.6
297.14194	7.2
299.06000	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03929	1.5
55.01862	2.5
55.05260	1.4
55.05506	18.8
57.03422	3.1
57.07056	4.2
65.03907	1.7
66.01163	1.0
67.05496	38.1
69.03407	2.5
69.07061	18.8
71.04971	3.6
71.08624	38.4
79.05482	39.2
79.56732	1.2
81.03412	6.8
81.06569	2.5
81.07045	46.7
83.04976	10.8
83.08604	12.3
85.06503	2.2
91.05474	25.1
93.07028	53.0
95.04958	8.4
95.08591	29.1
97.06509	8.5
97.10166	6.4
98.21506	2.5
99.07474	2.2
99.08088	33.2
105.07018	16.7
107.04927	4.8
107.07850	1.7
107.08578	29.5
109.06499	3.9
109.10149	15.0
111.08060	2.5
113.09612	2.7
117.06981	4.2
119.08566	16.7
121.10129	27.7
123.08078	1.2
123.11699	2.1
125.09608	3.0
127.11163	2.2
129.07018	1.6
131.08525	3.4
133.10129	12.6
135.08083	1.1
135.11674	39.2
137.09575	4.6
137.13214	1.6
141.09059	2.7
142.07805	1.3
143.08559	3.6
145.10101	4.1
147.11649	5.0
149.09589	1.3
149.13229	11.6
151.11154	15.3
153.12703	3.2
157.10091	2.1
159.03558	1.1
159.11674	4.7
161.13239	13.0
163.11163	5.0
163.14723	2.6
167.10603	2.3
171.11671	2.2
173.13234	3.0
175.14769	1.9
177.12730	4.1
178.98734	1.3
179.14290	100.0
180.14551	1.9
181.12144	2.1
185.13268	2.6
187.14755	1.6
189.11209	1.7
189.12775	2.6
195.13759	3.1
195.78497	1.2
199.14717	2.2
201.16380	1.4
211.14684	1.5
213.16341	1.2
221.15349	3.3
235.16902	4.2
239.17975	1.6
250.02382	1.2
259.20511	5.4
277.21606	59.4
295.24432	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2264
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03737	1.0
53.03945	12.9
55.01871	5.9
55.05503	19.5
57.03427	1.9
57.07076	6.0
65.03948	1.6
67.05499	43.2
68.69855	1.0
69.03443	2.6
69.07063	33.3
71.04973	2.3
71.08624	4.0
79.05047	1.8
79.05486	27.0
81.03410	54.7
81.07050	39.6
83.04974	14.1
83.08625	9.4
85.06535	2.2
85.10164	3.8
91.04943	1.7
91.05470	16.1
93.07039	30.0
95.04963	32.2
95.08598	15.2
97.06515	2.5
97.10175	4.7
99.08074	4.2
105.07029	17.3
107.08587	19.3
109.06517	7.3
109.10146	14.5
111.08079	3.9
113.09632	1.4
116.71797	1.1
117.07004	3.0
119.08572	10.3
121.06517	1.0
121.10130	9.4
123.08095	2.0
123.11698	6.2
125.05955	1.1
125.09620	6.6
129.07008	2.1
131.08530	2.9
133.10124	14.8
135.08058	4.2
135.11661	6.7
137.09608	2.3
137.13257	2.0
143.08543	2.0
145.10121	2.2
147.08051	1.6
147.11678	10.8
149.09613	1.7
149.13268	6.0
151.11165	41.7
153.09099	4.0
157.10107	2.5
159.11635	1.9
161.09697	1.6
161.13257	9.8
163.14809	4.3
165.09125	1.1
165.12756	9.6
171.10219	2.1
171.11687	4.4
173.13287	1.8
175.11191	1.5
175.14815	4.2
177.12776	2.6
179.14311	4.7
185.13222	2.6
189.11128	1.8
189.12692	1.9
193.12154	1.9
199.14790	1.1
207.13776	4.1
217.19522	3.9
221.15367	2.3
231.17380	1.2
231.21078	10.3
241.19600	4.9
249.22105	5.6
259.20590	7.6
277.21606	100.0
278.21948	4.2
295.20239	1.4
295.23300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1127
Annotation	Nitrothal-isopropyl
Peak:m/z	Relative Intensity
50.70902	0.3
51.44931	0.3
51.75986	0.3
52.58196	0.2
53.28786	0.3
55.01852	0.4
55.05493	0.4
55.35622	0.3
56.96552	0.3
57.03421	0.3
58.24276	0.3
58.78732	0.3
61.02924	3.3
63.92570	0.3
64.03366	0.3
64.73343	0.3
64.92951	0.3
69.03407	0.5
70.06595	1.8
71.04988	0.3
71.36913	0.5
72.08131	0.9
73.02888	0.4
79.05471	0.5
81.03365	0.3
81.07050	2.0
82.43859	0.3
85.02873	1.3
89.93931	0.3
91.03941	0.4
97.02907	0.4
97.06507	0.3
99.08084	1.5
105.03411	0.5
107.04922	0.5
109.10044	0.3
112.07616	1.5
118.06557	0.7
127.03922	0.5
130.06522	1.5
132.08095	1.8
132.95847	0.4
140.07034	0.8
145.04962	0.6
146.06006	1.0
158.05994	3.2
159.06795	16.0
160.07582	5.4
162.05519	2.2
163.08652	0.6
168.08017	0.3
170.05991	0.7
172.07573	12.4
173.08032	0.4
174.05498	8.5
175.06264	5.8
176.07077	3.8
183.06764	0.8
184.07549	2.0
185.08235	0.7
186.05504	6.4
186.09088	3.1
187.06233	0.4
188.07054	51.8
188.98561	0.5
189.07378	1.3
196.04359	0.4
196.07558	3.3
199.06142	0.4
200.07059	5.7
202.08569	1.0
204.06511	1.1
212.07097	1.4
214.08626	3.7
216.06529	0.7
218.08122	6.0
224.07051	14.6
225.07344	0.4
230.08142	1.3
232.09671	1.2
242.08093	4.8
243.08469	0.4
246.00571	0.3
250.10757	0.8
250.75705	0.3
255.01654	0.8
260.09137	2.8
278.10217	11.2
296.11279	100.0
297.02762	0.6
297.11539	3.0
297.14487	1.0
299.06171	0.5
312.12787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1535
Annotation	40321-99-1
Peak:m/z	Relative Intensity
52.06445	0.4
55.05506	5.6
55.07643	0.4
56.28711	0.4
57.07070	17.0
61.93474	0.4
65.03918	0.7
67.05489	1.4
69.03413	1.5
69.07059	2.7
69.43988	4.3
71.04978	0.5
73.06536	1.7
79.05463	1.2
81.03395	0.7
81.07040	4.3
83.08575	0.5
85.02874	1.1
85.06512	0.7
89.08328	0.4
91.05470	1.6
93.07028	1.9
95.04942	0.5
95.08591	2.2
97.02889	0.8
97.06557	0.7
97.10166	0.8
98.20711	0.8
105.07029	1.4
107.08577	1.8
109.06506	0.8
109.10141	3.3
110.70152	0.4
111.11690	0.5
115.03938	0.6
119.08544	1.4
121.02863	3.3
121.03674	0.5
121.10118	1.4
123.11673	0.9
125.09608	0.6
127.03830	0.7
129.06982	0.5
131.08519	1.3
133.10109	1.1
135.08017	0.9
135.11650	0.6
139.11139	0.5
145.10114	0.7
147.11679	1.0
149.02319	100.0
150.02693	0.8
157.10092	1.0
159.11708	0.6
161.05995	0.7
161.13287	0.7
167.03397	2.2
173.13164	0.5
175.07549	3.2
175.11063	0.5
183.11708	0.6
190.04814	0.8
203.07004	6.3
205.08600	1.9
221.08038	0.6
261.85031	0.4
277.14294	4.0
277.21576	0.7
287.84851	0.5
290.06491	0.4
295.17218	0.7
295.20474	2.8
295.23560	0.8
295.26587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2263
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03932	6.5
54.03836	1.8
55.01862	19.8
55.05502	53.3
57.03419	7.6
57.07067	11.3
59.04994	2.1
65.03913	3.3
67.05494	82.3
69.03407	6.2
69.07059	39.5
71.04974	7.1
71.08619	30.9
71.62675	2.7
71.63133	3.6
76.29047	2.2
79.05478	50.9
81.03390	9.5
81.06568	4.4
81.07040	82.4
83.04955	23.5
83.08605	37.7
85.02872	3.7
85.06522	6.5
85.10138	2.4
91.05463	33.7
93.07027	59.5
95.04951	15.6
95.08588	49.3
97.06516	14.1
97.10160	19.9
99.08086	30.1
104.03446	1.9
105.07006	32.8
105.59034	2.0
107.04933	3.2
107.08575	38.0
109.06487	8.8
109.10141	25.4
110.68774	2.0
111.08067	25.9
113.09612	7.7
114.95857	2.2
115.40459	2.2
117.06999	5.6
119.08564	24.5
121.06458	3.6
121.10117	24.3
123.08033	4.5
123.11670	7.6
125.09619	20.5
129.07001	6.6
131.08533	16.2
132.60406	2.0
133.06470	4.8
133.10094	29.8
135.08069	3.3
135.11664	25.5
137.09560	8.8
137.13228	5.2
139.11159	14.6
143.08525	6.0
145.10095	8.2
147.08044	2.4
147.11656	17.2
149.09590	6.2
149.13194	19.3
151.11165	22.8
153.09035	2.9
153.10164	2.0
153.12764	4.6
157.10124	7.3
158.17393	1.9
159.11671	7.9
161.13203	17.0
163.11168	9.6
163.14774	5.9
165.12767	12.1
169.09944	2.2
171.11636	5.0
173.13252	3.8
175.11165	6.1
175.14822	3.4
177.12636	3.9
179.14340	12.3
185.13214	5.3
189.11220	15.1
193.12195	3.6
193.15804	2.5
195.13766	5.1
197.13240	2.1
199.14803	4.9
203.14270	2.9
207.13733	3.2
231.21065	4.3
241.19496	6.0
249.22209	5.4
259.20557	12.5
277.21606	100.0
277.24710	5.1
278.21924	4.7
295.22723	49.5
296.23099	3.0
308.11826	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79155	0.3
52.76245	0.3
53.03929	1.4
55.01861	2.8
55.05490	0.9
56.05013	0.3
57.03422	6.5
57.04558	0.8
57.07053	0.3
59.04988	0.5
61.02912	8.8
66.27261	0.3
67.05482	0.7
69.03414	17.7
69.07053	9.8
69.83212	0.8
69.83622	1.4
70.06563	0.8
71.01345	0.6
71.04986	2.1
73.02904	5.0
73.06546	0.7
78.58152	0.4
79.05467	0.9
81.03401	7.2
81.07034	1.2
83.01328	0.7
83.04948	0.4
84.04488	1.0
84.08131	0.5
85.02886	89.4
85.06531	0.5
86.03206	0.5
86.09679	0.6
87.04453	3.0
87.08086	14.1
91.03938	5.4
91.05463	1.6
93.07036	0.7
94.04031	2.1
95.08587	0.6
97.02870	20.4
97.06496	0.8
97.10175	0.6
99.04438	4.0
99.08076	0.5
101.02334	0.6
103.03922	1.0
105.07001	1.4
105.09112	0.8
107.04926	0.4
107.08572	0.9
109.02859	8.2
109.06493	0.7
109.10109	0.4
110.06017	0.3
111.04416	0.8
112.05044	0.5
115.03905	2.4
115.07520	0.6
117.06992	0.6
119.04894	0.8
119.08579	0.8
120.08067	2.1
121.05047	0.4
121.06475	0.4
123.06633	2.4
123.08064	0.6
127.03890	21.2
129.07042	0.4
131.04883	0.7
131.08554	0.6
133.05028	1.8
133.06502	1.6
133.08577	1.4
133.10068	0.4
135.07977	0.5
136.07550	1.0
137.05946	1.1
141.06670	0.5
145.04929	25.7
145.10085	0.5
147.04379	3.3
147.08002	0.5
148.06082	0.5
149.09563	0.4
150.07718	100.0
151.03870	1.4
151.08142	0.8
151.11183	0.6
154.32701	0.3
157.06425	0.3
159.08000	0.6
161.05936	0.4
163.03926	1.7
163.05980	3.6
163.07408	0.6
165.09079	0.5
166.08592	0.7
173.05949	0.5
175.07474	2.4
182.02705	0.4
189.09007	0.8
203.07027	1.6
205.08670	0.7
221.08083	0.7
247.09569	0.4
277.10977	0.6
277.14960	0.6
278.11273	1.6
295.08240	0.6
295.11426	5.5
295.16409	1.5
296.11349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01861	2.3
55.05498	1.0
57.03428	6.8
59.04992	0.8
61.02917	9.9
66.55070	0.2
67.05502	0.4
67.98611	0.3
69.03418	22.2
69.07059	10.6
70.06589	0.3
70.57251	0.4
70.57608	0.9
71.01337	0.8
71.04978	2.1
73.02906	5.3
73.06541	0.6
78.08041	0.2
79.05467	0.6
81.03406	7.0
81.07050	1.0
83.01313	0.7
83.04943	0.3
83.08553	0.2
85.02892	100.0
86.03221	0.9
86.09702	0.4
87.04456	4.7
87.08093	16.4
91.03936	5.8
91.05464	1.1
93.07031	0.4
95.04948	0.5
95.08599	0.5
97.02876	22.4
97.06503	0.7
97.10159	1.0
98.21339	0.3
99.04433	4.3
99.08029	0.3
101.02376	0.9
101.81087	0.3
103.03943	1.2
105.07007	0.8
105.09130	1.3
107.08564	0.6
108.14245	0.3
109.02864	8.0
109.06472	0.3
110.06113	0.3
111.04418	0.5
115.03914	4.9
115.11173	0.5
117.05448	0.5
117.06948	0.4
119.04917	0.8
119.08552	0.3
119.83418	0.2
121.06442	0.5
123.04444	0.4
123.08024	0.4
126.77173	0.3
127.03896	23.5
131.08591	0.4
133.04948	4.1
133.08595	1.5
136.07570	2.4
137.06000	0.3
145.04935	32.1
146.05203	0.3
147.04393	2.1
147.08069	0.4
150.07712	4.6
151.03891	1.0
157.10114	0.4
159.08041	0.5
161.05969	0.4
163.03841	0.3
163.05991	4.7
175.07532	1.3
175.99770	0.3
177.05522	0.3
177.09177	0.4
203.06996	1.2
221.08109	0.5
241.06952	0.3
295.12820	0.6
295.16458	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46755	0.2
55.01863	0.2
55.05487	0.4
57.07072	0.9
65.03915	0.2
66.04715	0.3
67.05480	0.7
69.07056	0.4
71.08619	0.9
71.62881	0.3
79.05456	0.6
80.05829	0.2
81.07052	1.1
82.07369	0.2
83.08596	0.2
86.18611	0.2
91.05459	0.9
93.07064	0.3
94.04168	1.8
95.04957	0.3
95.08595	0.4
96.08916	0.2
97.06529	0.2
97.10155	0.2
97.14668	0.1
105.07019	0.3
107.04931	0.3
107.08576	0.6
108.08920	0.2
109.06479	0.3
119.08550	0.3
121.10191	0.2
122.03632	5.4
137.05954	100.0
138.06290	2.2
139.91481	0.2
141.12735	2.3
151.11159	0.2
158.15392	1.3
170.15414	0.9
181.04659	0.1
188.16414	0.2
276.20337	1.3
277.21561	0.3
294.20877	0.6
295.20486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.206
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.02369	0.2
55.01842	0.4
55.05493	0.2
57.07045	0.6
58.02942	0.2
58.82421	0.1
67.05488	0.9
69.07062	0.2
71.08602	0.5
71.32781	0.2
71.33094	0.3
77.82458	0.2
79.05476	0.8
81.07035	1.8
83.04929	0.2
83.08618	0.2
91.05469	0.9
92.05833	0.3
93.07012	0.2
94.04177	1.4
95.08597	0.2
97.06534	0.2
97.10158	0.3
105.06992	0.3
106.07332	0.3
107.04931	0.2
107.08591	0.9
108.08910	0.5
109.06487	0.3
109.10126	0.3
114.09138	0.2
122.03626	5.7
123.11687	1.7
132.08714	0.2
134.10370	0.2
137.05952	100.0
138.06290	1.7
158.15392	1.4
170.15375	2.9
179.79189	0.2
233.05989	0.2
258.19250	0.2
266.20255	0.2
276.20358	1.2
277.21222	0.2
294.20911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1019
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03943	0.8
55.01871	1.1
57.03432	49.4
59.04996	1.4
61.02927	12.3
69.03427	46.3
70.60493	1.8
70.60884	2.1
71.01350	9.4
71.04990	1.3
72.83936	0.9
73.02912	100.0
74.03212	1.0
81.03410	3.0
85.02898	58.6
86.03234	1.3
87.04462	4.3
91.03945	2.3
91.29124	0.9
95.08607	1.0
97.02885	53.2
99.04443	2.1
103.03931	1.5
109.02882	3.7
115.03920	66.2
126.21844	0.9
127.03906	13.6
133.04955	20.9
138.43797	1.1
145.04948	11.8
147.04379	2.0
149.43414	1.0
154.08540	0.8
163.06017	3.7
223.05945	2.2
241.07077	3.9
259.08362	1.3
295.10361	1.0
302.44839	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08424	0.2
53.03928	0.8
55.01865	1.1
55.05505	3.4
56.05021	0.3
56.96552	0.8
57.03436	2.3
57.07063	0.3
58.01043	0.2
58.99872	0.4
59.05016	0.5
60.04525	3.5
61.02924	3.3
64.81095	0.2
65.03931	0.3
67.05502	1.4
69.03426	8.6
69.07067	1.1
70.03766	0.2
70.06596	2.4
70.19418	1.1
71.01338	0.2
71.04979	1.4
71.82241	0.2
72.04510	9.6
72.08152	12.6
73.02914	2.7
73.06157	0.4
73.06551	6.2
77.00912	0.4
79.05507	0.5
81.03410	3.3
81.07054	0.5
83.04961	0.7
83.06084	0.4
84.04491	0.5
84.08138	3.9
84.78951	0.2
85.02900	20.3
86.03232	0.8
86.09703	16.4
87.04470	1.3
88.03970	0.5
90.05559	0.4
90.09190	11.5
91.03965	1.2
91.05472	0.9
93.04539	0.4
93.07064	0.3
95.04957	0.7
97.02886	7.9
97.06517	0.4
98.03243	0.4
98.06088	0.4
98.09666	0.4
98.97590	1.0
99.04459	1.7
100.98176	0.3
101.00859	1.3
102.00947	0.3
103.03974	0.2
105.03416	0.3
105.07067	0.4
107.03409	0.2
107.04928	0.7
109.02862	2.8
110.01299	0.2
110.07159	3.8
112.07602	0.9
112.08718	0.5
112.86876	0.2
113.03463	0.8
114.09160	47.5
115.02471	0.5
115.03948	1.0
115.08691	0.3
116.98618	0.7
119.01917	6.7
119.04948	0.6
120.01993	1.7
120.08105	0.7
121.01691	1.0
121.02832	1.2
121.06503	0.8
123.04423	0.3
126.05467	0.2
127.03918	5.4
128.10696	0.7
129.10205	0.7
130.04959	0.4
130.08664	1.8
131.01912	1.4
131.04916	0.5
131.07111	0.3
132.01939	0.5
132.10196	100.0
133.01662	0.4
133.03448	1.1
133.04964	0.4
133.06473	0.3
133.10529	1.1
134.03561	0.5
134.05931	0.5
136.07584	1.3
137.02972	1.7
137.05946	1.6
138.03038	0.4
138.05530	0.3
139.02596	0.3
142.03490	0.4
143.01886	2.7
144.02029	1.1
145.01607	0.7
145.03497	2.2
145.04941	3.1
146.03668	0.3
146.08307	0.3
147.03261	0.4
147.04424	1.0
147.55812	0.4
149.03056	0.4
150.07758	0.4
153.01895	0.3
155.01920	0.8
155.04665	0.9
157.03461	3.3
158.03598	0.7
159.03223	0.3
159.05028	0.2
160.07588	0.5
161.02982	4.6
161.04652	0.5
161.05965	0.4
161.06784	0.3
162.03078	2.4
162.05379	0.3
163.02698	0.8
163.03972	0.8
165.05431	0.4
167.07153	0.5
168.05266	0.6
168.06526	0.3
169.05305	0.5
171.05078	0.4
173.02948	1.4
173.04364	0.3
173.06593	0.7
174.03081	0.7
174.04430	0.4
174.06741	0.6
174.09193	0.3
174.11195	0.6
174.98457	0.3
175.02611	0.5
175.04523	1.7
176.04662	0.5
177.00728	0.5
177.04347	0.4
177.05965	1.2
178.06161	0.4
181.09027	0.8
183.04987	0.3
185.02986	0.6
185.06589	0.3
186.06822	0.7
187.02843	0.3
187.04526	0.4
187.06303	0.3
191.05861	0.3
191.07710	0.6
197.06660	0.3
199.08281	0.3
201.06120	0.3
203.04036	0.8
203.07753	0.5
204.07648	0.3
205.03729	0.3
205.05615	0.7
205.07434	0.4
205.09749	1.0
213.06059	0.4
215.07594	0.4
216.07773	0.6
219.01970	0.4
221.05133	1.5
222.05180	0.7
223.04764	0.2
223.06625	4.1
224.06805	0.9
225.06306	0.7
227.07115	0.4
230.13893	0.8
235.04562	0.5
237.02788	0.3
240.07214	0.3
241.07690	1.9
242.08028	0.4
245.05023	0.7
246.05443	0.3
246.08333	0.4
257.01517	0.5
258.13342	1.5
259.06348	0.4
271.02994	0.4
271.63052	0.3
273.08411	0.6
275.02478	0.9
275.09729	0.5
276.02740	0.4
276.09970	1.2
276.14450	2.1
277.11780	0.6
280.13953	0.4
285.62402	1.4
286.12646	0.3
293.10818	1.3
294.07529	0.5
294.10947	5.3
294.15369	2.4
294.18414	0.4
294.63950	0.4
294.66733	0.5
295.12906	4.0
309.08499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2468
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.31058	1.3
55.05502	12.0
57.07067	5.2
65.03928	2.9
67.05494	89.6
69.07059	10.1
69.37672	12.0
71.04979	2.1
71.08595	1.3
79.05482	16.4
81.07046	100.0
83.04964	2.1
83.08600	8.2
85.06536	2.2
91.05458	6.4
93.07031	17.8
95.04953	2.5
95.08594	90.5
97.06509	2.9
97.10168	3.4
98.20780	2.6
99.08090	1.8
103.99770	1.2
105.07028	6.7
107.08591	14.5
109.06514	3.2
109.10142	38.3
109.10906	1.8
111.04439	1.2
111.08012	1.5
111.12649	1.2
117.07001	3.4
119.08538	7.6
121.10102	12.4
123.08063	2.6
123.11692	19.2
125.09644	1.6
131.08562	7.8
133.10095	5.0
135.11678	8.7
137.09572	3.5
137.13220	11.2
145.10112	7.7
147.11684	4.1
149.09564	3.2
149.13248	4.4
151.14809	5.2
159.11684	5.9
161.13249	4.2
163.11165	4.2
163.14859	4.2
165.12701	2.2
165.16328	1.6
173.13190	7.8
177.12753	4.4
177.16379	2.7
187.14795	4.8
191.10561	1.4
191.14305	2.5
197.81390	1.2
205.15956	1.5
209.11667	2.8
209.15324	1.5
223.16946	2.5
237.11238	7.9
243.21045	8.3
257.19089	2.9
261.22165	8.8
275.20020	10.1
293.21539	2.8
293.24698	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	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.86721	0.7
50.95208	0.9
53.03936	2.8
55.01861	8.5
55.05504	25.1
56.96551	1.1
57.03420	1.6
57.07068	2.1
59.04993	1.0
65.03931	1.7
67.05158	1.7
67.05493	19.4
69.03417	2.8
69.07061	13.9
70.75166	1.5
70.75530	2.3
71.04978	3.2
76.83764	1.0
77.66922	0.8
79.05481	41.8
81.03415	3.9
81.07044	22.3
83.04963	6.3
83.08603	12.8
85.06520	1.8
91.05466	25.6
93.07033	17.5
95.04951	5.6
95.08590	13.6
97.06509	10.9
97.10155	19.6
103.05442	1.8
105.07024	28.2
106.07353	1.2
107.04944	6.3
107.08579	100.0
108.08919	2.3
109.06514	8.7
109.10147	6.4
111.04423	1.1
111.08047	2.1
117.06997	5.3
119.06068	1.8
119.08561	16.4
120.08897	1.1
121.06486	2.1
121.10135	8.7
121.99365	0.9
123.04451	0.9
123.08054	3.7
123.11685	2.5
125.09612	17.7
129.06967	1.9
131.04936	3.5
131.08549	8.2
133.10101	18.5
135.08031	4.3
135.11688	5.6
137.09639	1.5
143.08504	1.7
143.10709	1.3
145.10098	11.9
147.08038	1.0
147.11673	10.1
149.09601	11.7
149.13216	1.6
151.11139	2.8
153.09007	1.7
153.12752	1.3
155.08545	1.1
157.10092	2.6
159.11702	7.1
161.09583	2.2
161.13242	3.5
163.11194	3.5
163.14758	1.0
165.09100	2.8
169.10153	1.3
171.10304	1.5
171.11696	3.8
173.11836	1.6
173.13264	3.8
175.11137	1.2
177.12758	1.4
179.10683	1.2
180.09410	1.0
181.12207	2.8
183.11620	1.2
187.11168	3.6
189.11197	18.0
197.13310	2.6
204.96024	1.1
205.12236	1.7
229.19548	3.0
239.17903	4.4
247.17053	1.0
247.20477	1.4
252.01476	1.1
257.18927	11.8
275.20029	79.8
276.20377	5.3
277.00284	0.9
293.20959	12.6
293.27988	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03928	1.6
55.01855	4.2
55.05503	16.5
57.03435	5.6
57.07046	2.8
59.11367	0.9
65.03891	0.9
67.05161	1.9
67.05494	21.7
69.03410	3.4
69.07053	14.3
69.45744	4.8
69.46183	3.5
71.04988	2.9
71.08648	1.2
79.05478	37.8
81.07042	32.3
83.04974	4.9
83.08601	14.2
85.02877	1.3
85.06532	5.5
91.05464	28.9
93.06459	2.1
93.07027	28.9
94.07359	1.2
95.04942	5.8
95.08588	21.2
97.06518	3.9
97.10153	12.8
99.04446	1.4
99.08066	2.0
101.05939	1.3
103.05470	2.2
105.07011	33.1
107.04934	2.8
107.08576	99.5
108.08917	1.5
109.06504	9.6
109.10133	11.4
111.08067	3.9
111.11701	1.6
113.09593	1.1
117.07001	4.4
119.06030	1.0
119.08565	24.6
121.06512	2.7
121.10111	11.7
123.08080	2.6
123.11687	3.6
125.09608	11.4
129.06972	3.3
131.04933	5.2
131.08545	11.0
133.06459	0.9
133.10114	21.0
135.08020	3.1
135.11664	7.5
137.09590	1.5
137.13225	1.7
139.03847	1.9
142.07660	0.9
143.08533	3.7
145.10097	14.8
147.04390	1.5
147.11658	12.3
149.02316	1.3
149.09586	8.8
149.13223	3.4
151.11163	2.5
153.09128	1.1
153.12697	2.1
157.10089	4.0
159.08006	1.3
159.10385	1.6
159.11653	14.0
160.11909	1.0
161.09628	2.1
161.13235	8.3
163.11160	4.2
163.14746	1.6
165.12799	1.3
167.02275	1.1
169.10110	1.9
171.11653	2.1
173.13252	3.6
173.98349	1.0
175.11191	2.6
175.14787	1.1
177.12749	1.0
181.12158	2.3
183.11658	3.4
185.13232	12.1
188.48514	0.9
189.11179	7.5
191.14284	1.1
193.12241	1.3
197.09521	1.0
197.13242	1.9
201.12686	1.6
201.16357	2.3
203.14267	9.6
209.15422	1.1
211.14798	1.1
219.17474	7.0
221.15337	14.0
229.15865	1.6
237.08887	1.1
239.17929	5.8
244.09584	2.8
257.18954	15.4
275.20020	100.0
276.20340	4.8
293.14148	1.2
293.18259	1.7
293.21271	10.4
293.28094	5.6
314.25015	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.45729	0.8
51.52446	1.0
53.03935	3.1
55.01864	10.1
55.05499	23.2
57.03423	2.8
57.07059	4.1
65.03941	2.3
65.76348	0.8
67.05492	36.0
67.56161	0.8
69.03404	3.6
69.07058	25.8
69.44870	9.4
71.04996	4.9
79.05481	35.0
81.03409	5.2
81.07043	62.4
82.07375	1.2
83.04980	8.3
83.08611	15.6
85.02904	1.5
85.06532	4.5
91.05465	30.6
93.07029	33.8
95.04948	10.1
95.08590	39.3
97.06509	13.1
97.10152	13.6
98.18088	0.8
98.21650	1.4
99.04421	1.2
99.08058	1.4
101.05996	1.5
103.05463	4.9
105.07008	28.4
107.04939	9.3
107.08578	45.5
108.08888	1.3
109.02840	1.3
109.06490	14.7
109.10137	24.4
110.10509	1.1
111.04441	1.1
111.08084	4.2
111.11680	1.2
111.79129	0.9
113.09627	1.2
117.07006	6.5
119.04919	12.3
119.08562	23.7
121.06490	4.8
121.10126	17.8
123.04458	1.4
123.08041	6.4
123.11664	9.8
125.05885	1.1
125.09617	12.0
127.07534	1.3
129.06984	3.7
131.04912	14.1
131.08527	12.8
133.06456	1.2
133.09108	1.2
133.10100	22.7
135.08061	6.2
135.11664	8.9
137.09604	9.0
137.13228	3.5
139.11169	3.6
141.06976	1.5
143.08542	2.9
143.10510	0.9
145.06444	1.2
145.10083	13.1
147.04387	53.2
147.08023	2.5
147.11661	15.6
148.04768	2.0
149.02322	1.6
149.09595	15.7
149.13171	5.1
151.07468	1.5
151.11162	5.9
151.14809	2.5
155.08559	2.5
155.10622	1.6
157.10112	4.1
159.08028	1.2
159.11667	9.5
161.09601	2.1
161.13242	5.6
163.11159	9.1
163.14777	2.3
165.09065	3.8
165.12735	3.0
169.10104	2.5
169.12239	1.1
171.10207	0.9
171.11650	2.8
173.09575	1.1
173.11938	1.1
173.13176	5.3
175.11165	3.1
175.14764	1.4
177.12732	5.6
178.13091	0.9
179.10803	1.1
179.14339	1.7
181.12241	2.0
183.11685	3.1
185.13268	1.3
187.11115	2.8
187.14795	2.6
189.11183	9.2
189.12692	1.9
191.10550	1.0
191.14220	1.9
193.12228	1.8
195.13785	1.4
197.13222	3.0
201.12721	1.7
201.16325	1.6
202.30777	0.9
204.98227	1.1
212.03192	0.9
215.14238	1.6
215.17966	2.3
217.15892	1.7
219.13727	1.2
229.19469	5.3
233.13148	1.2
235.16846	1.1
239.17926	5.9
247.20450	6.9
249.18239	1.0
257.16055	1.4
257.18924	14.0
257.21762	1.4
257.22620	1.5
265.21722	1.0
275.09232	3.3
275.20016	100.0
276.20355	4.8
293.21100	36.5
293.24347	1.3
293.27847	5.5
294.21213	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2105
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03925	3.7
55.01867	7.7
55.05264	1.2
55.05505	21.5
57.03412	3.1
57.07051	2.0
59.04992	1.3
63.74052	1.1
65.03905	1.8
67.05495	44.6
69.03397	2.4
69.07059	26.7
69.55860	2.6
69.56277	7.8
71.04976	5.7
79.05479	37.5
81.03410	6.7
81.07045	100.0
82.07377	1.8
83.04972	6.8
83.08610	13.7
85.06536	4.1
91.05460	29.9
93.06456	2.2
93.07027	28.9
95.04948	17.5
95.08591	35.6
97.06508	9.9
97.10152	5.1
99.08096	1.6
99.15206	1.1
105.07012	31.3
107.04917	7.5
107.08584	29.4
109.06495	23.5
109.10141	16.9
111.08044	5.4
117.07005	7.8
119.08571	31.8
121.06504	3.8
121.10114	16.9
123.08052	12.2
123.11723	7.7
125.09595	4.8
127.07548	1.4
128.06180	1.6
129.07002	3.1
131.08534	11.7
133.10100	22.7
134.77756	1.2
135.08044	7.9
135.11685	7.8
137.05952	27.9
137.09589	7.7
143.08537	2.6
145.10107	14.4
147.07927	1.7
147.11676	18.9
149.09567	10.1
149.13226	6.1
151.11143	6.8
155.08559	1.8
157.10130	4.8
159.11710	8.3
161.09535	1.8
161.13229	4.4
163.11206	7.5
163.14763	2.3
165.12756	5.0
169.10103	1.6
171.11751	2.2
173.13219	5.6
175.11140	4.0
177.12718	3.0
183.11659	2.4
187.11172	2.2
187.14824	2.5
189.11209	1.5
193.12172	2.7
195.11615	1.4
197.13242	1.8
205.15942	1.8
215.13986	1.3
217.15788	1.9
223.13144	2.0
229.19531	3.2
233.15169	1.2
233.19150	1.6
239.17842	3.7
247.20557	5.1
257.18979	9.2
275.20020	78.9
276.20139	2.8
293.21066	46.1
294.21457	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03914	1.4
53.56685	1.2
55.01860	6.6
55.05502	40.8
57.03420	4.0
57.07057	4.0
59.04985	2.3
60.71650	1.3
65.03929	2.2
65.85780	1.2
67.05491	41.4
69.03414	5.4
69.07056	22.9
69.34261	14.4
71.04980	4.1
79.05477	50.0
81.03405	4.8
81.07041	45.5
83.04967	5.3
83.08595	23.5
85.06543	2.9
85.15037	1.4
88.19623	1.3
88.82799	1.3
91.05466	38.3
91.24921	1.2
93.07028	35.4
95.04954	16.2
95.08587	32.4
97.06519	9.2
97.09547	1.5
97.10159	20.1
98.20631	1.4
99.08086	1.6
103.05444	1.2
105.07010	35.8
107.04943	8.1
107.08577	90.9
109.06480	9.0
109.10143	19.4
111.08028	4.9
117.07016	6.3
119.06020	1.5
119.08565	28.0
121.06462	3.4
121.10125	23.0
122.03615	1.4
123.08010	6.4
123.11670	5.2
125.09613	16.5
129.07004	3.8
130.55743	1.3
131.08560	16.8
133.10106	27.1
135.08005	6.3
135.11664	4.9
137.05963	12.9
137.09587	14.0
139.11145	6.0
143.08566	3.0
145.10098	15.3
147.08078	1.4
147.11655	17.1
149.09599	14.0
149.13130	2.0
151.11159	5.1
153.09146	1.8
157.10072	3.9
159.11638	8.8
161.09615	2.2
161.13268	5.0
163.11145	8.5
165.12663	2.1
167.10622	1.7
169.10176	2.5
171.10214	2.0
171.11697	4.2
173.11749	2.6
173.13242	4.8
175.11168	2.0
177.12791	2.4
178.43341	1.3
181.12248	3.2
183.11693	3.5
187.11209	1.9
187.13290	1.4
187.14824	2.3
189.11206	17.5
189.12755	1.7
193.12233	1.7
197.13237	2.6
201.12749	1.9
203.12743	3.0
207.13737	1.9
217.15845	1.7
223.13354	3.9
225.14691	1.3
229.15953	1.6
229.19579	4.1
235.16919	2.0
237.11183	1.7
239.17857	6.6
247.20557	3.8
257.18900	12.4
275.20026	100.0
276.20349	3.7
293.17819	1.8
293.21048	38.1
294.21265	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.93774	1.2
53.03928	4.6
55.01855	11.4
55.05503	18.7
57.03425	10.9
57.07069	2.4
65.03925	1.9
67.05161	2.3
67.05490	26.9
69.03394	2.5
69.07059	17.5
69.45554	12.9
71.04965	2.6
74.95663	1.4
79.05478	39.0
81.03397	7.8
81.07044	32.0
83.04954	4.9
83.08595	9.6
85.06517	4.7
91.05463	28.6
93.06461	2.4
93.07027	37.3
95.04960	9.6
95.08585	23.9
97.06516	19.5
97.10169	8.8
105.07005	37.1
107.04928	6.1
107.08574	61.1
109.06495	9.9
109.10144	9.6
111.08072	1.8
114.12990	1.3
117.06997	10.3
119.04929	1.2
119.08563	24.0
121.06461	4.7
121.10123	12.2
123.04397	1.6
123.08073	3.9
123.11671	4.9
125.09631	10.9
127.07525	1.2
129.06953	5.1
131.08536	16.6
133.06464	1.4
133.10112	17.9
135.08018	4.1
135.11700	6.5
137.09619	3.0
141.06894	1.3
143.08482	6.3
145.10098	13.0
147.11656	16.4
149.05965	1.9
149.09602	14.9
149.13231	2.6
151.11171	3.4
155.08513	2.1
157.10107	4.9
159.08020	1.8
159.11668	14.7
161.09572	2.2
161.13216	8.6
163.03860	1.8
163.07520	1.8
163.11163	5.3
165.09097	3.0
165.12698	1.7
169.10120	3.0
171.11703	2.9
173.13225	6.0
175.11198	2.5
175.14870	2.3
177.05438	30.6
177.12666	3.4
178.06229	23.1
179.06544	2.2
181.12178	1.7
183.11649	3.1
185.13182	10.4
187.11145	6.0
189.11157	7.0
191.06982	7.6
191.10480	1.7
197.13191	2.4
201.16319	1.8
203.14229	10.3
203.58379	1.5
205.12157	4.9
209.15367	1.4
215.10666	2.3
219.17424	11.3
221.15366	12.2
229.19456	2.7
232.27692	1.3
233.11691	41.8
234.12100	3.0
239.17929	6.5
247.20598	3.3
257.18988	16.8
275.20010	100.0
276.20343	6.5
293.20886	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	293.2105
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03924	6.4
55.01864	15.8
55.05504	50.3
67.05492	42.0
69.03421	3.4
69.07056	15.5
70.87894	8.3
71.04977	4.2
75.41090	2.0
79.05482	83.1
81.07039	31.6
83.04965	20.4
83.08593	18.9
84.51402	2.7
85.16064	2.3
91.05466	30.0
93.07030	49.3
95.04945	11.4
95.08601	15.1
97.06529	18.3
97.10149	24.5
104.30470	2.1
105.07018	34.4
107.04943	40.4
107.08578	70.5
109.06506	5.7
109.10146	17.6
111.08081	4.5
117.07011	12.7
119.08569	23.2
121.06493	3.5
121.10126	20.9
123.08057	3.3
123.11662	6.1
125.09609	23.4
131.08553	16.3
133.10094	22.3
135.08018	9.0
135.11682	7.6
141.06888	2.6
143.08600	2.3
145.10092	10.6
147.11629	11.5
149.09595	77.1
153.09126	5.4
159.11664	10.6
161.13235	5.3
163.14812	3.7
169.12190	6.1
171.10234	2.6
173.11736	6.4
173.13197	5.6
187.11153	4.0
187.13213	4.9
187.14786	4.4
189.11197	20.4
191.14256	3.0
197.13228	3.7
209.15292	4.3
229.19518	8.5
239.17870	4.3
247.20506	4.3
257.18939	18.6
275.20029	100.0
293.21054	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	293.2106
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.36138	0.8
52.99294	0.8
53.03933	2.6
55.01863	8.9
55.05259	0.9
55.05504	11.7
57.07077	4.9
63.41147	1.0
65.03925	1.5
67.05498	16.1
67.46668	0.8
69.03410	1.2
69.07061	8.5
70.67326	1.6
70.67687	2.2
73.67957	0.8
79.05484	21.7
81.03391	2.8
81.07050	16.5
83.04965	2.9
83.08612	6.2
85.06509	0.9
88.15848	0.7
91.05463	16.4
93.07031	13.0
94.04150	1.6
95.04953	6.8
95.08601	10.9
97.06521	13.3
97.10160	8.0
99.39867	0.8
102.90993	0.7
105.07018	16.0
107.04951	5.5
107.08582	42.9
109.06496	3.2
109.10142	5.6
111.04409	2.2
111.08060	2.3
117.07035	4.2
119.08562	9.9
121.10146	6.6
122.03639	4.8
123.08046	1.7
123.11687	2.7
125.05981	1.2
125.09629	9.3
127.07560	1.0
129.06972	0.9
131.08521	6.3
133.06401	0.9
133.10139	11.1
135.04367	0.9
135.08020	2.9
135.11656	5.4
137.05959	100.0
137.13199	1.1
139.07515	1.2
143.08603	1.5
145.10091	7.6
147.11647	8.0
149.09596	7.4
149.13234	0.9
151.11156	2.8
153.05482	0.8
153.09067	0.8
157.10092	1.7
158.15468	1.1
159.11696	3.8
161.09724	0.9
161.13272	2.0
163.03937	0.9
163.11162	3.4
165.09094	1.9
170.15419	2.1
171.11688	2.5
173.13210	2.1
175.13054	0.8
177.12764	2.0
179.14336	1.3
181.04913	2.0
181.12230	2.1
183.11720	1.2
187.11188	2.2
187.14832	0.9
189.11218	8.9
191.10588	1.4
195.10063	1.0
197.13219	1.3
205.80418	0.8
209.11722	3.8
215.17918	3.1
219.13823	0.9
221.08038	1.8
223.13202	2.0
229.19398	1.8
233.15144	0.8
237.11220	10.1
237.38007	0.9
239.17888	2.3
245.15044	0.9
247.20543	2.2
250.70416	0.8
257.19052	6.5
275.20029	54.8
276.20209	2.1
293.17944	1.0
293.20905	10.1
313.77957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2104
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03938	24.6
55.01866	20.9
55.05495	22.7
67.05497	56.2
69.03423	4.7
69.07058	39.9
70.75755	2.9
70.87866	9.2
71.04963	5.5
71.11237	3.2
72.85872	2.8
79.05483	40.3
81.03403	72.8
81.07048	87.9
83.04971	16.2
83.08591	7.5
91.05467	59.1
93.07034	46.5
95.01313	11.9
95.04968	17.3
95.08587	39.1
97.06516	20.6
97.10143	4.9
105.07016	100.0
107.04932	23.0
107.08579	22.8
109.06475	8.9
109.10136	9.9
111.08034	5.2
117.06973	18.6
119.08572	39.6
121.06466	4.9
121.10126	13.6
123.04360	4.1
123.08037	18.3
123.11657	3.8
125.09611	11.5
129.57263	3.6
131.08517	27.5
133.10114	59.4
135.08002	5.7
135.11653	13.6
137.09601	4.1
141.06970	7.5
145.06454	9.5
145.10057	19.8
147.08081	3.3
147.11667	21.6
149.09604	9.6
149.13220	7.4
157.10045	5.7
159.11644	17.9
161.13208	6.7
163.11154	6.6
169.10088	5.2
177.12724	9.3
179.14308	16.4
181.12279	3.4
183.11638	4.4
187.11119	12.1
195.13718	7.2
205.12152	4.6
209.11755	6.0
237.11154	10.4
239.17920	5.1
247.20451	4.0
257.19006	11.3
275.20023	98.1
276.20230	3.9
293.21097	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	293.2104
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01852	3.0
55.05512	10.1
57.03419	1.3
57.07046	2.6
65.03936	1.5
67.05494	20.8
69.06672	1.2
69.07054	18.8
69.68233	6.1
71.04984	1.6
79.05479	13.3
81.07047	25.5
83.04962	6.5
83.08598	3.8
84.08186	0.9
91.05470	13.2
93.07030	17.9
95.04945	6.8
95.08589	15.3
97.06506	3.3
97.10136	3.6
105.07021	18.0
107.04929	5.7
107.08577	13.2
109.06508	8.7
109.10147	8.7
111.08058	1.3
117.06992	4.7
119.08565	11.0
121.06472	8.7
121.10130	8.3
123.08030	3.8
123.11690	3.8
125.09568	1.3
129.07005	1.4
131.08553	10.5
133.06474	2.6
133.10123	13.8
135.08025	4.2
135.11667	3.1
137.09595	2.6
143.08527	2.4
145.06441	1.8
145.10107	9.6
147.08014	2.4
147.11644	7.7
149.09557	2.5
149.13211	2.2
151.11154	5.9
155.08516	1.5
157.10083	2.7
159.08031	1.6
159.11673	5.9
161.09618	2.9
161.13243	3.2
163.11179	4.3
163.14877	1.0
169.10074	1.2
171.11633	2.2
173.09583	1.9
173.13255	4.0
175.11217	1.8
177.05333	1.0
177.12735	2.2
178.06145	1.1
181.10025	1.2
183.11613	1.8
187.11182	1.6
187.14786	1.5
189.12686	1.1
191.14377	1.9
197.13232	2.1
199.14763	1.2
201.12668	2.5
207.13719	2.3
215.14297	1.2
215.17905	1.9
219.13759	5.3
229.19476	2.6
231.17419	1.2
233.11507	1.3
233.15279	1.1
239.17902	2.6
244.27995	0.9
247.20558	2.7
257.18954	13.6
275.20032	100.0
276.20374	5.5
293.20935	29.3
294.21161	1.5
294.98996	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2106
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03931	4.0
55.01863	9.3
55.05253	3.0
55.05502	35.7
57.03414	9.3
57.07074	9.1
67.05494	40.0
69.03397	4.1
69.07059	21.6
69.35454	15.6
69.35863	4.3
71.04968	2.4
79.05482	46.1
81.03403	5.2
81.07044	43.2
83.04964	11.1
83.08601	19.1
85.06529	4.1
86.12570	2.0
91.05466	49.5
93.07033	41.8
95.04958	13.9
95.08594	28.9
97.06511	10.7
97.10164	19.7
98.21594	2.0
99.04430	2.8
105.07012	41.5
107.04931	9.4
107.08576	100.0
109.06502	15.8
109.10129	12.9
111.04440	6.2
111.08092	4.6
117.07007	15.7
119.06081	2.4
119.08563	29.8
121.06470	5.0
121.10133	19.4
123.04395	1.8
123.08059	4.0
123.11662	3.9
125.06033	2.3
125.09613	19.5
129.06985	4.4
131.08534	15.7
133.10110	31.6
135.08025	8.8
135.11665	10.8
137.09576	10.3
139.11105	3.0
143.08539	5.1
145.10106	17.8
147.11641	15.6
149.09581	15.7
151.11189	3.2
153.05431	4.1
153.09196	2.3
155.08429	1.9
157.10088	4.5
159.11658	11.5
161.09601	2.2
161.13289	5.3
163.11153	7.3
167.10736	3.2
169.10170	3.5
171.11636	5.8
173.09628	2.6
173.13255	7.3
175.11111	2.7
175.14760	3.3
177.12743	3.2
181.04968	5.5
181.12250	2.8
183.11595	2.7
185.13129	3.5
187.11269	2.1
189.11150	17.7
191.10634	4.2
195.09999	2.2
201.16296	4.9
203.12697	3.4
203.14369	3.6
209.11751	13.0
209.13348	2.2
209.23343	2.3
213.63875	1.9
219.17400	60.2
220.32996	2.0
223.13199	2.2
224.44330	1.8
229.19299	2.9
237.11180	25.2
239.17973	7.7
242.33559	2.3
247.20593	4.3
257.18942	15.7
268.25034	2.2
275.20032	97.6
276.20358	4.3
277.21640	3.3
293.17963	2.7
293.21021	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	293.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.7
53.03932	4.6
55.01848	2.2
55.05497	32.4
56.05845	0.7
57.03427	5.3
57.07053	2.0
59.04992	0.7
61.02917	8.2
65.03941	1.1
67.05479	4.7
67.19652	0.6
69.03412	21.9
69.07051	3.1
71.01322	0.9
71.04971	3.7
71.08601	1.1
71.62849	1.4
73.02911	3.7
73.06541	7.8
77.03943	0.7
79.05482	5.4
81.03399	26.5
81.07029	6.8
83.04966	3.0
83.08612	1.2
85.02885	80.5
85.06520	1.9
85.15188	0.7
87.04454	2.8
91.03934	5.5
91.05466	5.5
91.07565	4.6
93.07027	13.0
95.04944	2.8
95.08598	7.6
97.02867	18.5
97.06493	1.9
99.04445	4.9
99.08028	0.7
102.13608	0.6
103.05443	29.4
103.06129	1.5
104.05762	0.8
105.07008	4.5
107.04938	1.1
107.08572	5.7
109.02859	16.1
109.06516	1.7
109.10144	4.5
111.04399	1.2
111.08073	1.3
115.03883	0.9
117.06955	1.1
119.04932	3.8
119.08558	6.9
121.02826	3.2
121.06493	2.0
121.10114	12.2
123.04392	0.9
123.08038	1.7
123.11664	1.8
125.09622	2.6
127.03883	19.3
129.05426	0.7
131.04897	100.0
131.08553	2.9
132.05194	3.8
133.10118	3.9
135.08051	1.5
135.11659	2.9
137.09662	1.2
142.18152	0.7
143.08531	0.9
145.04929	23.9
145.10057	2.4
147.04391	12.3
147.08084	0.7
147.11667	2.2
148.04736	1.1
149.02306	85.9
149.05966	2.5
149.09547	4.6
150.02663	3.1
155.08414	0.8
157.10092	1.1
159.11661	1.8
161.13248	1.1
163.05972	3.6
163.11154	0.7
165.09201	0.8
167.03389	2.4
173.13278	1.4
175.07487	3.8
175.14755	1.2
177.12703	0.9
203.06995	5.0
208.32751	0.8
221.07976	4.4
229.19327	1.1
257.19055	0.9
273.01300	0.8
275.09088	8.5
275.12567	1.5
275.16672	0.7
275.20032	2.8
293.07861	0.9
293.10562	1.3
293.13751	25.0
293.17081	1.1
293.21078	3.6
293.24493	1.5
294.14035	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1377
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03934	1.2
55.05502	23.0
57.03448	0.4
58.08959	0.4
65.03930	1.1
66.26766	0.3
67.05490	0.5
69.03411	0.8
69.04947	0.5
69.07025	0.5
69.55235	3.0
71.05009	0.5
73.06541	9.4
79.05493	0.8
81.03407	1.9
81.07031	1.1
83.04947	0.6
83.08595	0.6
85.02895	1.0
85.06538	0.5
91.05460	4.1
93.03370	0.6
93.07042	1.6
95.04922	0.5
95.08582	0.8
97.02852	0.7
98.21440	0.8
99.04441	0.6
101.40046	0.4
103.05454	3.4
105.07002	1.0
107.08586	1.0
109.02858	0.7
109.06484	0.4
109.10130	0.9
113.09641	0.5
114.74305	0.3
116.06173	0.4
119.08603	0.8
121.02863	4.6
121.03776	0.7
121.03915	0.5
121.10123	1.0
125.09571	0.4
129.06975	2.8
131.04906	12.3
131.08551	3.4
133.10117	0.4
135.11696	0.4
143.04884	1.2
145.06482	0.4
145.10091	0.5
147.04390	1.0
147.08040	0.8
147.11755	0.4
149.02315	100.0
150.02655	1.9
157.06458	1.0
159.08075	0.5
161.05951	5.6
167.03410	1.7
169.44196	0.4
175.07520	19.6
180.61040	0.3
185.05946	0.8
190.05043	0.3
192.15543	0.3
203.06998	30.8
204.07318	0.9
221.08000	1.1
275.09595	0.6
275.12753	6.3
275.15964	0.6
275.19574	0.5
293.13770	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	293.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70018	0.2
55.01860	0.5
55.05505	1.2
57.03412	0.3
65.03925	0.4
67.05483	0.6
69.03407	0.9
69.07044	0.9
69.27505	2.8
71.04969	0.4
75.85834	0.2
79.05471	0.6
81.03381	1.0
81.07043	2.0
83.04972	2.3
85.02894	1.1
85.06528	0.7
91.05469	8.2
93.07044	1.5
95.04965	0.5
95.08583	1.3
97.02885	0.2
97.10124	0.3
98.20691	0.4
99.08052	0.4
101.05968	0.3
103.05440	2.4
105.07004	0.7
107.08560	1.0
107.93241	0.2
109.02866	0.5
109.10146	1.4
111.04424	0.8
119.04928	21.5
119.08546	1.0
121.10134	0.7
123.08045	0.3
123.11708	0.4
125.09520	0.3
129.05516	0.4
131.04907	7.8
131.08571	0.3
133.10106	0.8
135.08139	0.2
135.11685	0.7
137.09613	0.3
139.11148	0.5
145.10101	0.5
147.04387	100.0
147.11629	0.5
148.04716	1.4
149.09590	0.7
154.07877	0.2
157.10167	0.2
159.11700	0.4
165.05510	0.4
173.13190	0.4
201.05510	0.3
225.96237	0.2
257.18994	0.4
275.09009	0.9
275.16672	0.3
275.20050	0.9
276.11707	0.3
279.45892	0.2
293.10156	1.9
293.21213	1.1
293.24490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2311
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02359	1.0
53.03920	2.9
55.01846	0.8
55.05259	0.9
55.05501	16.1
56.65223	0.8
57.03434	1.0
57.07055	2.4
59.04984	1.0
59.46551	0.8
65.03913	1.8
67.05490	36.3
69.07053	15.3
70.80105	2.2
71.04953	1.2
73.06517	1.2
79.05475	66.1
81.07040	44.4
83.04968	1.9
83.08605	8.8
85.06518	2.6
91.04892	1.0
91.05458	24.9
93.07024	100.0
94.07337	1.1
95.04952	7.2
95.08587	30.6
97.06528	2.1
97.10170	4.1
99.08079	1.0
105.07004	15.9
107.08570	54.5
109.06516	2.1
109.09434	1.6
109.10126	16.6
111.08066	1.8
111.54201	1.0
117.07008	3.3
119.08551	15.4
121.10117	47.8
123.08035	2.5
123.11680	4.1
125.09628	1.8
129.06967	2.6
131.08568	5.4
133.10107	13.6
135.07976	2.1
135.11659	57.6
137.09544	1.4
137.13223	1.1
139.03873	2.8
139.11160	1.3
143.08525	2.2
145.07463	1.0
145.10088	5.1
147.11658	11.7
149.09555	2.8
149.13222	31.6
151.11131	1.3
157.10078	1.6
159.11655	4.0
161.13222	9.8
163.11119	3.5
163.14789	10.6
171.11633	4.6
173.13231	3.1
175.11185	1.4
175.14813	5.7
177.12746	2.6
185.13248	3.5
189.12726	1.9
191.17734	1.0
195.13797	1.8
199.14745	1.9
209.15335	2.4
213.16339	3.0
217.15779	2.0
217.19455	2.0
221.15289	1.5
231.17455	1.4
235.16846	2.5
241.19449	5.2
246.07841	0.9
249.18457	2.3
259.20477	11.1
291.23117	79.7
292.23456	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	293.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72203	1.3
70.87978	4.7
72.41880	1.5
104.92498	1.5
111.02003	1.9
120.02559	1.6
126.13056	1.6
129.03035	2.4
157.03372	1.9
161.02879	1.5
185.87791	1.5
189.88339	1.9
202.05919	19.6
202.56186	3.8
293.06287	100.0
294.06619	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.9
57.03408	0.5
59.04994	0.4
65.03931	0.8
67.05494	1.6
69.03410	2.4
69.07034	1.0
71.04980	0.5
79.05477	1.1
81.03412	3.3
81.07055	3.0
83.04933	1.8
83.08597	0.4
85.02884	3.1
85.06539	0.5
91.05459	6.9
93.06490	0.4
93.07011	2.0
95.04958	1.1
95.08574	2.3
97.02872	1.1
97.06529	0.6
99.04448	0.8
100.11253	0.5
101.06006	1.8
103.05447	9.0
105.07008	1.3
107.04948	2.5
107.08568	1.7
109.02866	1.9
109.06511	0.6
109.10140	1.7
111.04411	2.8
119.04920	20.4
119.08543	1.0
121.06519	0.4
121.10099	1.0
123.04366	0.5
123.08047	0.5
123.11715	0.5
125.09550	0.5
127.03918	0.7
131.04906	30.6
131.08519	0.6
132.05225	0.9
132.07600	0.3
133.10098	0.5
135.11671	0.7
137.13226	0.4
139.11172	0.5
142.58861	0.4
145.10104	0.4
147.04382	100.0
147.11630	0.8
148.04718	2.0
149.05922	0.9
149.09564	0.6
149.13324	0.4
157.10129	0.5
159.06764	0.9
160.07106	1.1
161.13258	0.6
173.05995	0.4
201.05455	2.6
202.53748	0.3
217.04959	1.0
257.19110	0.6
275.09103	10.2
275.20041	1.4
276.12122	1.5
293.10153	1.0
293.21735	1.2
293.24954	0.6
309.86139	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1946
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03915	2.3
55.01652	1.1
55.01863	11.5
55.05502	38.6
57.03418	4.0
57.07041	1.5
59.04975	1.7
65.03937	2.5
67.05167	1.5
67.05495	27.1
69.03397	4.6
69.06719	1.5
69.07055	12.4
69.32851	11.0
69.85902	1.2
71.04964	4.7
73.02895	1.0
79.05479	45.2
80.77848	1.0
81.03394	4.0
81.07044	50.5
83.04972	6.4
83.08135	1.3
83.08600	16.0
85.06521	2.2
91.05466	53.0
93.07030	21.0
95.04950	16.2
95.08584	13.7
97.02878	1.4
97.06487	2.3
97.10150	20.1
98.98415	1.8
104.06255	1.4
105.03357	5.3
105.07016	23.6
107.04926	12.8
107.08571	20.9
109.06480	5.1
109.10134	8.9
111.04414	3.2
111.08041	2.4
115.05399	4.3
117.06997	23.0
119.04922	7.7
119.08564	59.2
121.06482	11.5
121.10117	6.8
123.04411	48.5
123.08035	3.9
123.11704	2.3
125.09606	20.7
128.06137	1.8
129.06993	11.4
131.08553	26.2
132.05672	1.6
133.06439	5.3
133.10115	7.3
135.08029	12.3
135.11633	3.1
137.05963	1.3
137.09608	2.3
139.03877	76.2
140.04208	2.1
142.07765	2.3
143.04852	3.1
143.08536	13.9
145.06459	1.8
145.10106	26.3
147.04388	18.8
147.08023	35.9
147.11653	4.5
149.09631	5.6
149.13229	1.9
151.07527	1.9
153.09036	2.0
155.08510	2.5
157.10094	10.4
159.07965	4.2
159.11639	11.5
161.05907	6.8
161.09618	8.0
161.13254	2.0
163.11151	3.3
165.05476	10.2
169.10023	2.5
171.10234	1.7
171.11592	6.4
173.09569	1.8
173.11737	2.3
173.13145	2.2
175.11166	3.4
175.14713	1.5
177.05350	1.2
177.12672	1.7
179.07059	2.4
181.10042	2.2
185.09610	1.8
185.13213	2.9
189.05405	1.6
189.11180	16.3
189.12697	2.4
193.12207	2.7
195.11639	1.7
199.14771	2.0
205.12093	2.3
207.06520	5.5
213.12689	2.0
213.16389	1.4
217.15871	1.8
223.13310	3.6
227.17825	2.9
233.15266	1.7
237.16342	2.8
245.18991	3.8
249.07500	1.7
249.14793	6.7
255.17448	8.5
273.07336	1.5
273.18451	100.0
274.18695	1.6
291.08655	8.4
291.19476	79.2
291.26462	2.0
292.19720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
50.28025	0.8
53.03943	5.0
55.01869	9.9
55.05259	1.6
55.05504	20.1
57.03416	3.8
57.07049	2.6
59.04999	0.9
65.03938	1.4
67.05495	41.8
68.99781	0.8
69.03405	3.9
69.06705	1.4
69.07056	16.5
71.04959	5.3
71.62088	1.0
73.06557	0.8
78.49875	0.9
79.05482	31.7
81.03409	13.0
81.07048	51.3
83.04972	8.1
83.08612	8.8
85.02872	0.9
85.06525	3.9
91.05464	34.9
93.06468	2.1
93.07034	36.3
95.04965	15.0
95.08593	51.8
97.02854	1.2
97.06515	5.1
97.10180	4.5
97.10684	0.8
98.98460	1.0
99.08072	1.0
100.35390	0.8
103.05453	2.8
104.34719	0.8
105.04491	1.8
105.07014	30.5
107.04930	15.7
107.08578	24.8
109.06489	12.1
109.10140	15.5
111.04404	2.7
111.08070	5.3
113.06009	1.0
115.05431	2.2
116.06257	1.0
117.06989	12.1
119.04916	3.8
119.08566	23.1
120.65163	0.8
121.06488	15.7
121.10132	11.4
123.04421	25.0
123.08041	18.0
123.11656	2.9
125.05997	2.5
125.09600	3.2
126.93919	1.0
127.03907	1.2
128.06190	2.5
129.06987	8.3
130.07695	1.3
131.08551	17.2
133.06476	9.0
133.10117	22.6
135.08031	19.7
135.11668	5.8
135.83801	0.9
137.05984	1.9
137.09593	7.5
139.03882	32.9
139.07523	4.4
139.11075	1.1
140.04263	1.5
141.06969	1.6
142.07706	1.2
143.04869	1.2
143.08539	8.5
144.09369	1.4
145.06480	2.4
145.10100	14.4
147.04373	7.2
147.08032	12.1
147.11679	6.0
149.09610	13.6
149.13211	1.7
151.07526	1.3
151.11162	4.9
155.08498	2.2
157.10097	7.2
159.08006	2.6
159.11699	5.6
159.12830	1.0
161.05969	3.2
161.09612	16.1
161.13239	3.7
163.11160	4.1
165.05487	5.7
165.09108	3.1
165.12764	1.5
167.10701	1.4
169.10092	2.4
171.11693	7.1
173.09550	2.4
173.13223	2.8
175.11172	9.4
175.14784	1.6
177.09157	2.3
177.12738	2.3
179.07083	1.3
179.10628	2.1
181.10042	1.0
185.09639	1.6
185.13239	3.1
187.11101	2.1
187.14714	1.0
189.11215	1.5
189.12721	6.1
193.12146	1.6
195.10136	1.3
199.11118	2.3
199.14789	1.4
203.10559	1.1
203.14243	1.7
205.12233	1.3
207.06506	1.6
207.13803	1.3
209.11586	1.1
211.14790	1.2
213.12770	1.1
213.16336	2.7
217.12216	1.6
217.15826	1.1
217.19501	0.9
223.13214	1.3
227.17938	4.8
231.13722	1.6
231.17387	1.4
234.07593	1.1
237.16345	2.6
245.18973	9.2
249.14825	1.7
249.18581	1.3
255.17410	7.1
263.19992	6.6
267.68909	1.0
273.18460	44.9
274.18793	1.3
291.08633	2.1
291.19495	100.0
292.19788	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.195
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
55.01857	1.5
55.05508	5.7
57.07060	2.0
58.44569	0.9
59.04983	2.6
62.93847	0.8
67.05507	6.3
69.03404	1.7
69.07044	3.5
69.49238	1.1
71.04981	4.1
79.05465	6.6
81.07052	7.4
83.04960	3.1
83.08606	5.2
85.02883	1.4
85.06533	2.2
91.05454	6.2
93.07025	10.8
95.04971	6.7
95.08601	13.8
97.06504	3.9
97.10074	1.0
103.92322	0.9
105.07020	10.0
107.04961	4.6
107.08578	9.4
109.06496	7.1
109.10139	5.6
111.08060	28.5
112.28518	1.1
113.09663	1.3
117.06979	2.8
119.04945	1.7
119.08569	12.3
121.02795	1.1
121.06457	1.6
121.10114	8.2
122.07197	1.8
123.04414	17.7
123.08051	35.5
123.11717	1.1
125.09543	1.3
129.06927	1.8
130.07713	1.3
131.08566	7.6
133.06456	3.1
133.10126	8.7
135.08051	7.1
135.11644	4.3
137.09601	4.6
139.03885	26.9
140.04140	1.3
141.05507	1.1
143.08543	2.9
145.10104	16.9
147.04463	5.3
147.08009	3.8
147.11659	7.9
149.09583	4.8
149.13206	1.4
151.07524	100.0
152.07816	1.1
153.09084	1.4
155.10628	3.4
156.09344	2.6
157.10101	5.6
159.07944	1.2
159.11707	5.7
161.05945	2.8
161.09628	5.6
161.13234	2.8
163.11143	4.1
163.14688	1.0
165.05450	3.7
165.09076	1.7
169.12175	1.2
171.11600	5.4
173.09512	1.3
173.13225	6.7
174.10379	2.8
175.11206	4.9
177.09102	2.1
177.12718	1.9
179.06998	1.2
179.10587	5.6
185.13229	2.0
187.11143	4.8
187.14832	2.9
189.12714	31.2
191.14244	6.1
192.11385	5.2
197.11690	19.6
197.13254	2.2
199.14708	0.9
203.14333	2.0
207.13776	66.5
211.14963	1.2
213.16347	3.3
215.14333	6.6
217.12247	2.9
229.23422	1.7
231.17397	3.5
233.15317	23.7
235.13197	2.0
255.17496	4.1
267.84210	1.1
273.18448	12.6
291.08749	2.0
291.19501	66.0
291.26819	6.0
291.81522	0.9
301.87732	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01866	10.9
55.05505	4.8
55.93502	0.9
56.96552	2.0
57.03426	4.2
57.07064	0.9
59.04990	4.0
59.92642	0.8
61.02926	6.1
65.03924	1.5
67.05487	3.3
68.99780	1.2
69.03416	13.8
69.07069	4.1
70.06602	1.3
71.04980	32.0
71.62205	1.2
73.02903	3.1
79.05486	1.3
81.03411	8.3
81.07048	2.7
83.04987	4.0
83.08604	13.3
84.04485	1.0
84.08129	1.4
85.02892	33.4
85.06526	3.2
86.03201	0.7
86.06066	0.9
86.09699	1.4
87.04457	2.7
90.19315	0.8
91.03923	2.3
91.05462	3.0
93.03403	1.0
93.07019	3.3
95.04958	8.6
95.08601	7.3
97.02871	12.0
98.03156	0.8
98.97578	1.6
98.98454	1.5
99.04424	2.7
102.09140	0.9
105.07002	1.5
107.04937	1.3
109.02854	4.6
109.06483	2.2
111.04422	5.7
111.08070	23.1
112.02179	3.3
112.07659	0.9
113.02324	1.5
113.06011	2.1
113.09641	5.7
114.03703	1.3
114.05530	1.2
115.05445	0.9
116.98562	1.2
119.04929	6.0
120.08082	0.8
121.02824	1.4
121.06521	1.2
123.04411	63.8
124.04746	2.4
125.05940	1.2
127.03902	11.1
129.04524	1.4
129.05472	5.7
129.09099	47.7
130.03242	1.1
130.08586	1.0
133.06476	1.3
134.99661	0.9
135.04410	1.8
137.02257	1.2
137.05943	1.7
139.03879	100.0
140.04224	1.3
143.04912	2.3
145.04939	7.5
147.04385	28.1
148.04741	1.0
151.03891	3.4
153.09102	2.0
155.04622	0.9
161.05936	9.0
163.03896	3.1
165.05470	15.2
169.04965	1.4
173.02829	0.9
173.05885	0.9
177.05417	0.9
179.07050	3.7
181.04910	0.9
189.05475	2.5
193.81532	0.8
207.06558	4.3
218.48843	0.8
222.00914	0.9
227.11725	1.3
231.06580	0.9
234.99037	1.0
245.12923	0.9
249.07646	1.0
249.18379	0.9
255.07887	0.9
268.02814	0.9
273.07504	1.7
273.12189	5.2
275.10339	0.8
291.08521	12.5
291.13062	7.7
291.19308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1947
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01859	2.5
55.05502	8.0
55.97617	0.9
57.07050	2.8
59.04981	3.0
65.03899	1.3
67.05495	6.3
69.03402	3.2
69.07042	2.7
69.97617	2.4
69.98027	4.0
71.04977	2.6
79.05471	12.6
79.39689	1.0
81.03384	1.3
81.07050	9.9
83.04953	4.6
83.08604	8.6
84.18120	1.0
85.02882	2.1
85.06513	1.6
89.07361	1.0
91.05441	6.3
93.07028	10.6
95.04966	7.9
95.08594	16.3
96.52991	0.9
97.06514	6.5
97.39154	0.9
103.05576	0.9
105.07013	8.9
105.61730	0.9
107.04932	13.6
107.08581	9.0
109.02882	2.0
109.06503	9.6
109.10136	4.0
111.04413	2.0
111.08057	39.6
113.09615	1.5
117.06992	2.1
119.04899	1.3
119.08543	9.1
121.06461	2.7
121.10125	8.9
122.07249	2.1
123.04408	19.8
123.08041	32.3
125.09584	2.2
131.08546	5.4
133.06467	2.8
133.10095	10.1
135.08028	7.8
135.11671	3.7
137.09566	3.5
139.03877	33.3
139.07484	1.2
141.05409	1.3
142.07809	1.6
143.08524	1.7
145.10112	4.4
147.04431	5.9
147.07979	2.3
147.11674	6.4
149.09612	6.3
151.07513	100.0
152.07924	1.2
155.10645	2.3
157.10098	4.8
159.08011	2.1
159.11681	1.2
161.05972	2.3
161.09573	2.9
163.11153	4.1
165.05466	4.4
165.09106	1.7
171.11697	4.0
173.13219	7.3
174.10431	1.6
175.11162	5.2
177.09079	2.0
179.07040	1.2
179.10655	4.7
181.12193	1.8
189.11078	2.0
189.12723	27.2
191.14275	17.5
192.11395	4.3
197.11684	15.6
197.13258	2.4
207.06520	1.3
207.13768	62.6
211.13234	2.8
213.16412	1.9
215.14343	3.1
217.12190	4.0
231.17456	2.5
233.15323	47.4
235.13257	1.9
249.18452	2.4
255.17365	3.1
273.18448	9.2
278.00610	1.0
281.64282	1.0
291.08667	3.0
291.19495	76.5
292.19785	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.2
55.53564	0.3
65.03927	0.7
66.56329	0.3
67.05493	1.3
68.99789	1.4
69.03391	0.5
69.64193	2.7
69.64507	0.6
77.03896	0.3
83.04964	1.0
85.02896	0.9
91.05480	1.3
93.03406	1.0
95.04972	2.6
98.20757	0.8
99.82962	0.4
103.83082	0.4
107.04993	0.4
111.04427	2.5
115.05486	0.7
119.04936	5.0
123.04420	63.5
124.04745	0.9
127.03871	0.9
131.04839	0.4
133.06476	1.2
135.04428	0.4
137.02348	1.2
137.05916	1.0
137.06961	0.4
139.03891	100.0
140.04233	1.7
143.04906	1.8
147.04395	20.0
148.04759	0.5
151.03889	2.8
151.07489	0.5
159.04391	0.4
161.05969	7.2
163.03902	1.6
165.05463	14.8
167.60161	0.3
169.04933	1.5
177.05490	0.7
179.07002	2.7
180.07411	0.4
181.04993	0.8
189.05421	2.4
205.08522	0.5
207.06499	7.1
249.07605	1.8
273.07596	1.4
291.08597	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	291.0858
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
55.01862	1.1
65.03928	1.0
67.05495	0.9
68.99795	1.6
69.03419	0.6
69.07086	0.3
69.55007	0.3
69.56409	2.6
69.56814	0.9
81.03443	0.4
83.04964	0.9
85.02888	0.6
91.05475	1.0
92.87239	0.4
93.03380	0.8
95.04971	2.8
97.02902	0.4
105.03389	0.6
106.89054	0.3
111.04446	2.1
112.25580	0.4
115.05444	1.3
119.04921	4.3
123.04415	61.6
127.03911	1.5
133.06480	0.7
135.04367	0.5
137.02332	0.9
137.05991	0.7
139.03885	100.0
140.04211	0.5
143.04884	1.5
144.59007	0.4
147.04393	19.1
151.03897	3.0
153.05460	0.7
161.05974	7.3
163.03883	1.5
165.05460	16.6
169.04947	2.3
177.05539	0.9
179.06992	3.1
181.04913	0.6
189.05508	1.9
207.06480	6.2
207.08344	0.5
231.06352	0.5
249.07431	1.6
273.07446	1.9
291.08582	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	291.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88070	4.0
66.06857	3.5
69.60647	23.1
69.61057	8.3
70.06586	4.8
85.02908	4.5
90.65935	3.8
98.20783	7.8
119.01865	9.6
121.01643	4.9
128.07050	4.4
139.86298	4.0
145.03465	5.1
148.18636	4.0
157.03471	6.3
194.17917	3.8
223.06650	6.5
262.36923	4.2
291.05182	6.3
291.08334	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0857
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.47693	0.3
55.01863	1.7
56.98346	0.3
65.03919	0.9
65.82598	0.3
67.05490	1.2
68.99766	1.9
69.95808	1.3
69.96224	0.8
71.81036	0.3
77.50820	0.3
83.04942	0.8
91.05482	1.6
93.03387	1.2
95.04945	2.0
97.02864	0.7
107.04929	0.4
111.04445	2.7
115.05428	1.0
117.90974	0.3
118.19493	0.3
119.04934	4.4
123.04407	63.1
124.04747	1.1
127.03882	0.6
133.06480	0.9
135.04344	0.6
137.02307	1.0
137.05946	0.6
139.03877	100.0
140.04185	1.8
143.04909	2.1
146.44987	0.4
147.04382	19.1
148.04721	0.6
151.03886	2.2
151.07541	0.4
153.05490	0.5
159.04314	0.3
161.05957	6.6
163.03896	1.5
165.05453	14.6
166.05798	0.6
169.04939	1.8
177.05496	0.5
179.06995	3.1
181.04967	1.0
189.05421	2.2
207.06493	7.5
208.06790	0.4
231.06494	0.4
249.07567	1.3
273.07391	1.7
284.39236	0.4
291.08572	9.5
292.08838	0.6
297.46005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0913
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03939	0.3
55.01860	0.3
55.98603	0.2
57.03420	0.4
58.49710	0.2
59.37959	0.2
61.02903	0.7
68.13074	0.2
69.03410	1.6
70.78472	0.4
73.02907	0.4
78.76866	0.2
81.03399	0.8
85.02888	4.5
85.28433	0.2
91.03931	0.3
97.02879	1.6
109.02866	0.7
123.04453	0.3
127.03894	100.0
128.04239	1.4
135.04362	0.5
145.04955	1.0
192.63802	0.2
289.12436	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88083	3.2
54.20714	2.8
54.94345	3.2
57.03407	3.2
58.06580	4.8
58.68721	3.0
61.02890	4.0
67.45217	2.9
69.03411	8.2
69.92735	20.3
69.93076	3.0
72.08148	3.3
78.22495	3.1
81.04539	4.9
82.06533	7.6
85.02887	6.2
85.68302	3.0
87.84999	2.7
97.02847	4.2
119.01907	7.2
120.01984	10.6
121.01621	3.8
128.04216	3.3
128.05334	3.2
128.07031	9.3
128.10701	4.5
139.04294	3.2
157.03392	4.3
162.03043	4.5
184.05763	4.0
184.90334	3.9
189.97380	3.1
193.56390	5.4
194.07065	12.2
216.00410	5.4
223.06563	10.9
224.06879	3.5
254.10165	5.0
272.11111	6.0
290.06366	100.0
290.12225	29.5
291.08286	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88825	2.2
53.03937	4.9
55.01865	6.6
55.05498	3.2
56.96559	9.3
57.03429	12.6
57.07049	3.0
59.05001	2.8
61.02908	21.1
64.54016	2.4
67.05507	3.1
69.03416	47.4
70.06577	7.6
70.21756	5.4
70.22153	5.5
71.04991	5.7
72.08148	3.9
73.02915	20.6
77.00917	5.6
81.03408	19.1
83.04967	4.6
84.04469	4.4
84.08133	7.3
84.95944	2.4
85.02892	100.0
86.03225	2.8
87.04449	8.8
91.03941	10.1
91.05466	10.0
93.07013	3.2
95.40211	2.6
97.02875	68.0
98.03198	3.1
98.97573	9.5
99.04446	9.0
101.00858	22.1
103.00609	3.3
103.02434	7.9
103.03937	3.0
105.00340	3.0
108.37298	2.3
109.02870	14.9
111.04446	7.4
112.52483	2.4
113.00950	2.8
113.02380	3.2
115.02431	4.3
115.03907	2.9
116.98606	7.9
117.03928	2.8
117.05408	3.0
118.01137	3.1
119.01907	84.2
119.04919	10.8
120.02011	8.5
121.01638	20.0
121.03474	4.5
122.03677	3.4
123.04423	21.4
127.03912	31.2
129.05469	42.8
130.08624	9.4
131.01894	23.0
133.01665	6.2
133.03468	10.5
135.03151	4.4
137.02971	15.8
137.05951	40.1
139.02747	6.8
139.03893	24.9
143.00150	3.7
143.01842	20.0
144.03555	2.9
144.13815	5.1
145.01678	3.9
145.03427	24.7
145.04933	20.9
146.05183	3.8
147.01317	3.7
147.04263	23.7
148.04770	3.4
149.02963	11.5
155.01871	11.6
157.03432	36.3
158.99704	3.1
160.02190	4.2
161.01418	5.3
161.02939	51.2
161.06644	4.5
162.03108	6.4
163.02682	6.6
163.04231	4.7
165.05487	6.7
171.01387	4.0
171.04996	4.9
173.01430	3.9
173.02956	20.3
173.06511	3.7
175.03029	4.3
175.04453	24.3
177.00688	7.9
179.02159	2.9
179.07062	5.3
183.05125	4.2
184.05829	30.5
184.55962	5.7
185.02914	10.9
185.06680	3.0
187.04515	6.1
189.00717	4.9
189.02359	6.7
189.06082	4.1
191.02370	2.7
191.04054	5.2
192.06256	5.5
193.03766	4.4
197.02971	3.2
201.00682	4.6
201.06793	28.7
201.56850	6.9
203.04008	10.0
205.05569	8.8
210.07460	13.6
211.08041	3.7
215.07635	5.0
219.03473	5.8
219.05266	3.9
221.03123	5.7
221.05078	12.3
223.04515	3.7
223.06580	40.5
224.06956	4.6
227.03957	2.9
229.01886	4.1
229.05624	3.6
231.03508	7.0
237.02596	4.1
241.07590	19.0
242.07880	3.4
245.05060	4.1
248.99269	3.1
249.02524	5.9
264.07007	20.7
265.07651	12.5
266.08047	2.8
267.04059	2.9
273.08267	9.7
291.03748	8.4
291.08673	76.1
309.08304	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	289.07
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.01851	2.4
55.05487	3.2
57.03436	1.7
59.23974	0.9
65.03923	6.8
67.01844	3.4
67.05490	8.7
67.52605	1.1
68.99770	6.1
69.03420	8.0
69.07031	1.3
70.19961	3.6
71.01385	1.0
71.04966	1.8
75.40405	1.0
79.01893	1.0
79.05462	3.3
81.03403	10.4
81.07026	4.9
83.04934	1.9
85.02869	5.2
85.06530	3.4
89.03901	3.3
91.05461	2.9
91.95899	1.0
93.03403	8.7
93.07022	2.6
95.04935	5.9
95.08587	1.8
97.02876	4.2
97.06474	1.4
99.04430	3.7
103.03922	8.2
105.03386	1.0
105.07050	1.4
107.04935	44.2
107.08596	3.2
109.02851	10.4
109.06499	1.9
109.10123	18.4
111.00809	1.8
111.03687	1.9
111.04425	30.2
111.05193	1.8
113.09614	1.3
117.03344	3.1
119.04888	1.6
120.08075	1.2
121.02846	5.9
123.04405	58.7
125.09605	14.4
127.03895	63.2
129.07013	1.4
131.04939	2.5
131.08554	1.8
134.41484	1.1
135.04390	100.0
135.11635	1.6
136.04726	1.3
136.07555	1.2
137.02319	3.1
137.05983	1.2
139.03871	49.9
141.06963	2.1
142.38220	1.1
145.06477	1.7
147.08012	1.9
147.11594	1.1
149.01122	2.5
149.02310	42.6
149.05948	3.2
151.03873	22.3
153.01797	58.7
157.06445	1.8
159.04446	1.5
159.07991	1.2
163.03882	29.8
167.03377	7.7
169.04944	8.0
169.06445	4.1
171.02867	12.0
173.05939	1.8
177.05455	2.2
179.03342	3.5
185.05933	1.4
187.03873	3.0
193.12204	2.9
195.02832	4.2
197.05939	5.0
201.05347	2.1
203.07025	1.6
205.04950	1.5
205.12335	1.1
209.16339	1.1
211.13252	7.6
213.05511	2.0
215.06985	33.6
216.07420	1.6
223.13235	1.1
225.05434	1.9
229.04979	1.4
229.07129	1.7
231.06544	5.4
241.04950	1.4
242.05730	1.7
243.06491	40.3
243.08952	2.4
253.14299	2.3
259.05923	7.0
261.07486	6.3
271.05948	20.9
271.14279	1.2
274.53638	1.1
281.02368	1.2
289.07028	30.3
289.11856	2.5
289.16177	3.8
290.07477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.07
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
53.03936	0.9
55.05500	1.5
57.03410	0.9
57.07066	3.5
65.03925	2.1
67.01847	5.7
67.05499	4.3
68.99766	4.3
69.03423	3.5
69.07062	1.5
69.50708	1.5
69.51117	5.4
76.19466	0.8
79.05491	2.2
81.03417	1.7
81.07056	3.8
83.08624	1.4
85.02890	1.5
89.03910	1.5
91.05492	3.2
93.03398	1.5
93.07053	3.1
95.04974	2.8
95.08585	3.7
97.02877	1.7
98.21474	1.2
98.97593	1.1
104.60674	0.7
105.07032	2.9
107.04935	51.2
107.08598	3.1
108.05242	0.9
109.02934	0.7
109.06499	1.1
109.10132	8.5
111.00822	1.0
111.04404	7.7
117.03381	1.0
117.06963	1.0
119.04950	2.3
119.08592	2.6
121.02838	9.1
121.10141	1.6
123.04421	10.4
123.11710	1.2
127.03893	11.3
127.11185	3.2
128.06140	0.8
129.01793	1.4
131.04893	0.9
131.08585	1.7
133.10091	1.9
135.04396	20.6
135.05389	1.2
135.11714	1.5
137.02318	1.1
137.05922	1.2
139.03886	11.6
140.94823	0.8
141.07019	2.3
145.02811	1.6
145.06480	1.5
145.10104	2.1
147.04355	1.3
147.08018	0.8
147.11722	1.3
149.02318	53.4
149.13324	0.7
151.03883	4.1
153.01802	100.0
154.02248	1.2
157.10251	0.8
158.24184	0.8
159.04443	1.1
159.11687	0.8
163.03877	15.0
164.07141	0.8
167.03398	6.4
169.06416	4.0
171.02850	21.7
171.04178	1.3
177.00688	1.1
178.45148	0.8
179.03357	2.0
195.02847	8.5
197.05901	4.0
201.05457	1.1
215.06985	48.2
225.05560	1.1
229.04950	1.4
231.06371	1.5
242.05750	2.0
243.06488	45.0
259.05951	1.3
261.07590	2.1
261.35696	0.8
271.05960	16.4
271.16974	2.4
271.20709	0.9
277.14017	1.1
289.06949	40.3
289.15179	1.7
289.18082	3.9
289.21710	8.4
289.25201	2.3
290.07483	1.4
307.11661	0.9
311.44302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0701
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
50.70385	0.7
53.03946	1.3
55.05503	2.4
56.85133	0.8
57.07067	2.0
65.03932	3.4
67.01853	6.2
67.05504	4.1
68.39801	0.7
68.99773	4.5
69.03414	2.8
69.07054	3.3
70.78013	0.7
71.04980	1.0
71.21462	1.9
79.05492	3.3
81.03416	1.8
81.07037	6.9
83.08579	1.5
85.02876	1.1
88.60529	0.7
89.03896	4.7
91.05470	3.3
93.03371	2.3
93.07030	4.3
95.04965	3.9
95.08598	3.3
96.99196	1.0
97.02885	1.7
97.10179	1.3
101.05983	0.9
105.07028	3.3
107.04938	7.4
107.08569	4.7
109.06541	1.4
109.10144	6.7
111.00798	2.5
111.04433	11.8
117.03371	5.9
117.07040	1.0
119.04948	1.0
119.08567	3.8
121.02824	1.1
121.06456	1.0
121.10124	2.9
123.04404	19.3
123.11698	1.2
125.09633	1.7
127.03902	9.3
131.04897	1.2
131.08554	1.4
133.10103	3.5
134.27605	0.8
135.04395	39.1
135.11662	2.2
137.02354	1.7
137.06041	1.1
139.03894	17.0
141.06985	0.9
143.08571	2.0
145.02831	8.8
145.06464	1.7
145.10085	1.6
147.11728	2.9
149.02322	6.5
149.09610	1.0
149.13217	1.4
151.03891	8.0
153.01808	100.0
154.02199	0.9
157.10139	1.2
159.04411	1.2
159.11636	1.5
161.05984	1.1
161.13324	1.4
163.03886	58.8
163.14801	1.4
164.04335	1.0
169.06636	0.9
171.02867	28.2
173.05957	1.0
173.13316	1.5
175.14738	1.0
179.03329	6.5
187.03926	1.4
195.02892	1.0
197.06052	1.2
201.05486	1.5
205.04996	1.0
215.06993	4.7
215.18050	1.1
224.57146	0.8
231.06570	2.1
243.06535	3.6
259.06033	3.0
261.07541	2.6
271.06021	6.4
271.20996	1.0
271.24002	1.5
289.07028	95.9
289.17868	3.9
289.21661	3.7
289.25275	4.1
290.07404	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0702
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
51.02395	0.5
53.03936	0.9
53.67337	0.5
55.01857	1.4
55.05506	0.5
57.03460	0.4
65.03920	1.1
67.05499	3.4
68.99786	2.7
69.03399	1.6
69.07055	0.7
70.93993	1.3
71.80351	0.4
76.96065	0.4
77.03910	1.2
79.05482	1.6
81.03378	0.9
81.07046	1.0
83.01328	0.6
83.04975	0.7
85.02885	1.1
85.06542	0.9
89.03903	1.6
91.05457	1.2
93.03390	1.4
93.07014	1.1
95.04955	5.5
97.02871	0.6
105.03375	2.7
105.07040	0.5
107.04956	6.6
107.08572	0.7
109.02874	0.6
109.06506	0.5
109.10141	2.0
111.00807	1.1
111.04431	3.2
115.05430	0.7
117.03362	3.0
119.08569	0.5
121.02868	1.6
123.04414	100.0
124.04724	0.5
125.09646	1.5
127.03904	3.1
129.01776	0.5
131.04907	2.0
131.08527	0.4
135.04405	12.8
137.02287	1.2
137.05951	0.6
139.03885	24.2
141.06920	1.0
145.02832	3.1
149.02328	6.1
149.05971	1.1
151.03885	7.2
153.01816	7.2
157.06445	0.5
159.04401	2.0
163.03882	23.3
167.03386	1.0
167.27434	0.5
169.06424	1.1
171.02806	0.5
173.05992	0.8
177.05472	0.7
179.03362	1.1
185.06006	1.1
187.03911	4.6
187.07524	0.5
195.02881	0.6
197.05948	2.5
201.05409	0.5
205.04942	3.3
205.08089	0.5
211.13231	0.6
215.07004	6.6
225.05444	1.8
229.04912	0.9
231.06688	0.7
243.06491	7.4
245.04361	2.7
259.06000	0.8
261.07358	1.1
271.05991	5.8
289.07050	17.4
289.15222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.07
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
53.03920	0.3
55.01847	0.6
63.02373	0.2
65.03908	0.4
67.01851	4.9
68.99427	0.2
68.99773	3.2
69.03402	1.6
69.68887	1.4
79.01817	0.3
79.05453	0.7
81.03379	0.7
83.01311	0.6
89.03899	3.8
91.05443	0.3
93.03386	0.5
95.04951	0.4
97.02883	1.3
107.04940	1.8
109.10088	0.2
111.00785	3.1
111.04432	1.9
113.95532	0.2
117.03358	5.8
119.04948	0.2
122.03265	0.2
123.04397	4.4
125.02370	0.4
127.03885	0.9
129.01810	0.7
131.04924	0.3
135.04382	13.1
136.04692	0.2
137.02347	0.6
137.05936	1.2
139.03876	2.1
145.02817	9.9
145.03960	0.5
151.03860	0.9
153.01793	100.0
154.02156	1.1
159.04309	0.9
161.05951	0.6
163.03868	53.5
164.04225	0.8
166.88380	0.2
171.02852	16.9
177.05394	0.4
179.03363	5.5
182.24928	0.2
187.03899	1.6
191.08089	0.2
205.04926	1.3
215.07027	0.3
217.52582	0.2
243.06555	0.2
247.05997	0.8
253.05000	0.6
271.05984	2.3
289.07001	84.5
290.07425	1.3
304.45557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.07
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
53.03923	2.4
55.01851	2.4
55.05487	3.2
57.03436	1.7
59.23974	0.9
65.03923	6.8
67.01844	3.4
67.05490	8.7
67.52605	1.1
68.99770	6.1
69.03420	8.0
69.07031	1.3
70.19961	3.6
71.01385	1.0
71.04966	1.8
75.40405	1.0
79.01893	1.0
79.05462	3.3
81.03403	10.4
81.07026	4.9
83.04934	1.9
85.02869	5.2
85.06530	3.4
89.03901	3.3
91.05461	2.9
91.95899	1.0
93.03403	8.7
93.07022	2.6
95.04935	5.9
95.08587	1.8
97.02876	4.2
97.06474	1.4
99.04430	3.7
103.03922	8.2
105.03386	1.0
105.07050	1.4
107.04935	44.2
107.08596	3.2
109.02851	10.4
109.06499	1.9
109.10123	18.4
111.00809	1.8
111.03687	1.9
111.04425	30.2
111.05193	1.8
113.09614	1.3
117.03344	3.1
119.04888	1.6
120.08075	1.2
121.02846	5.9
123.04405	58.7
125.09605	14.4
127.03895	63.2
129.07013	1.4
131.04939	2.5
131.08554	1.8
134.41484	1.1
135.04390	100.0
135.11635	1.6
136.04726	1.3
136.07555	1.2
137.02319	3.1
137.05983	1.2
139.03871	49.9
141.06963	2.1
142.38220	1.1
145.06477	1.7
147.08012	1.9
147.11594	1.1
149.01122	2.5
149.02310	42.6
149.05948	3.2
151.03873	22.3
153.01797	58.7
157.06445	1.8
159.04446	1.5
159.07991	1.2
163.03882	29.8
167.03377	7.7
169.04944	8.0
169.06445	4.1
171.02867	12.0
173.05939	1.8
177.05455	2.2
179.03342	3.5
185.05933	1.4
187.03873	3.0
193.12204	2.9
195.02832	4.2
197.05939	5.0
201.05347	2.1
203.07025	1.6
205.04950	1.5
205.12335	1.1
209.16339	1.1
211.13252	7.6
213.05511	2.0
215.06985	33.6
216.07420	1.6
223.13235	1.1
225.05434	1.9
229.04979	1.4
229.07129	1.7
231.06544	5.4
241.04950	1.4
242.05730	1.7
243.06491	40.3
243.08952	2.4
253.14299	2.3
259.05923	7.0
261.07486	6.3
271.05948	20.9
271.14279	1.2
274.53638	1.1
281.02368	1.2
289.07028	30.3
289.11856	2.5
289.16177	3.8
290.07477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80109	0.1
52.94544	0.1
53.51663	0.1
55.01858	0.2
56.97534	0.1
59.78154	0.1
62.08531	0.1
65.03926	0.3
67.01846	0.2
68.99425	0.2
68.99776	1.6
69.03423	0.1
69.70229	0.7
69.70573	0.1
74.20452	0.1
74.56721	0.1
79.05460	0.4
81.03400	0.2
81.68074	0.1
82.77531	0.1
91.05508	0.1
95.04942	0.4
103.05458	0.1
105.03372	0.6
105.07031	0.2
107.04936	0.9
109.02875	0.6
111.00799	1.4
111.04424	0.2
115.05432	0.3
117.06968	0.1
119.04923	0.2
121.02853	5.7
121.03834	0.2
127.03829	0.2
129.07011	0.2
133.02826	0.8
135.04436	0.4
137.02315	1.7
141.06949	0.2
145.06476	0.5
147.04395	1.2
151.03877	0.1
153.01805	8.7
154.02132	0.1
157.06465	1.0
157.10034	0.1
161.02260	0.1
161.05931	0.3
165.01817	3.0
169.06519	0.1
171.03026	0.1
171.04387	0.5
173.06094	0.1
175.03822	0.2
175.07558	0.1
183.02850	1.3
185.05936	1.0
189.05414	0.2
197.05933	0.3
199.03891	0.2
203.03474	0.1
203.06975	0.3
213.05449	2.7
217.04953	0.2
229.04913	0.3
231.06447	1.1
241.04919	1.4
242.05585	0.1
243.06499	0.2
245.04303	0.1
258.05188	2.2
259.05981	0.9
263.05560	0.1
269.04449	0.3
287.05450	100.0
288.05789	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	289.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45358	0.4
55.01869	0.6
58.99855	2.0
61.02918	1.3
66.68250	0.5
68.98277	0.7
69.03419	2.0
69.89063	1.0
69.89481	2.3
70.06571	0.8
70.99824	0.7
73.02910	0.9
77.00900	1.5
80.35856	0.6
81.03403	0.9
81.04535	2.1
82.99868	1.7
83.17237	0.5
84.08122	1.7
85.02894	4.4
86.09671	0.7
86.99313	0.8
90.58989	0.5
97.01403	1.0
97.02862	2.5
98.20822	0.9
98.97533	0.5
101.00871	28.5
103.02457	0.8
105.00365	1.0
113.00871	2.2
115.02431	12.5
117.02168	0.7
117.03968	1.3
119.01912	100.0
120.01979	3.1
121.01629	0.7
121.06500	2.0
126.05511	0.8
126.98786	0.8
127.02448	0.8
127.03907	3.8
127.05003	2.1
127.05859	0.8
127.08663	1.3
129.03987	3.0
131.01903	11.7
133.03464	27.1
134.03606	1.1
135.03079	0.5
135.05023	2.2
137.02954	24.8
138.02861	0.8
138.09189	0.6
142.03522	1.6
143.01886	11.0
144.99809	4.1
145.01634	0.7
145.03458	7.0
147.01418	1.5
147.05048	6.5
149.02922	2.9
151.04535	6.3
152.05669	1.5
155.01863	1.4
156.02676	0.6
156.04979	0.6
157.03474	4.6
158.94052	0.5
159.01425	1.4
159.04996	1.0
161.02948	44.1
161.06569	1.3
162.03090	0.8
163.04491	1.8
168.99803	6.7
169.03413	1.3
171.01366	5.1
171.04987	1.1
173.02945	8.6
175.00880	2.0
175.04518	3.4
177.02444	2.2
178.04968	1.1
178.55099	0.5
179.03951	3.8
180.99730	0.7
184.04536	1.1
184.55850	0.7
185.02919	2.8
187.00874	23.5
187.04482	6.1
188.01035	1.4
189.00752	0.7
189.02435	9.9
189.06041	1.3
191.04002	8.4
196.99265	3.5
199.00868	7.6
199.04541	3.1
199.06137	0.6
201.02429	3.1
201.06042	1.0
203.00426	0.6
203.03963	2.4
205.01924	17.0
205.05682	1.1
207.03552	2.9
211.00912	0.7
211.04524	1.1
214.05653	0.7
215.00357	28.9
216.00479	0.6
217.01918	16.1
217.05540	1.7
218.01981	0.6
219.03526	9.0
221.01714	0.8
221.05002	1.8
223.02924	3.2
223.06519	1.0
227.03900	0.5
229.01939	7.6
229.05569	1.4
231.03535	1.7
233.01440	4.5
235.03026	1.8
237.04630	1.1
238.01878	0.8
241.07739	0.9
245.01474	1.0
247.02983	31.7
248.03136	0.6
251.02530	0.8
257.01535	1.0
258.63303	0.8
259.03149	2.0
259.06668	8.0
263.02402	0.8
265.04019	8.6
277.04077	3.6
277.06851	0.5
281.14215	0.9
281.83572	0.5
289.03992	7.0
289.07437	12.0
289.57523	0.9
293.03568	1.7
307.05087	7.4
307.08786	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	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
55.01860	0.2
64.29752	0.1
65.03923	0.3
65.68795	0.1
67.01856	0.2
67.05484	0.1
68.99776	1.9
69.03399	0.2
69.07050	0.1
69.75867	0.1
69.76292	0.3
70.35897	0.1
71.01334	0.1
71.68056	0.1
79.05475	0.5
79.72056	0.1
81.03397	0.3
81.07038	0.2
84.32014	0.1
91.05450	0.2
93.03391	0.1
93.07006	0.1
95.04951	0.3
97.02862	0.1
98.20673	0.1
103.05439	0.2
105.03374	0.8
105.07021	0.2
107.04943	0.9
109.02866	0.6
111.00790	1.5
111.04412	0.4
113.33633	0.1
115.05411	0.1
117.07030	0.1
119.04917	0.1
119.08555	0.1
121.02845	6.2
121.06460	0.1
123.04350	0.1
127.03895	0.2
129.06979	0.3
133.02835	0.9
133.06483	0.1
135.04393	0.4
135.08087	0.1
136.40474	0.1
137.02319	2.1
137.05960	0.2
138.18074	0.1
138.39204	0.1
141.06960	0.2
143.04965	0.1
145.06450	0.5
145.10094	0.1
147.04379	1.2
151.03873	0.1
153.01799	9.1
154.02162	0.1
157.06458	1.1
158.07005	0.1
161.05904	0.4
163.03873	0.1
165.01804	3.1
165.03210	0.2
169.06465	0.2
171.02985	0.1
171.04391	0.5
175.03879	0.2
175.07590	0.1
181.01437	0.1
183.02858	1.7
184.05162	0.1
185.05942	0.9
185.07462	0.1
189.05484	0.3
191.03354	0.1
191.37535	0.1
194.02107	0.2
195.04340	0.1
197.05980	0.3
199.03931	0.2
201.05478	0.1
201.16344	0.1
203.03314	0.2
203.06993	0.2
203.79811	0.1
204.81659	0.1
213.05415	2.6
214.05917	0.1
216.04204	0.2
217.04948	0.1
225.05528	0.1
229.04929	0.3
231.06483	1.2
241.04895	1.5
242.05600	0.2
243.06497	0.2
245.04294	0.1
258.05194	2.1
259.05927	0.9
263.05701	0.1
269.04388	0.3
269.12811	0.1
286.04480	0.1
287.05438	100.0
288.05768	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01535	0.1
51.64976	0.1
53.03939	0.1
55.01863	0.1
56.40062	0.1
62.35955	0.1
64.64233	0.1
65.03932	0.3
66.60755	0.1
67.01846	0.3
67.05498	0.1
68.99423	0.1
68.99779	1.6
69.03407	0.2
69.07030	0.1
71.04964	0.1
75.99460	0.1
79.05480	0.6
81.03391	0.3
81.07043	0.2
83.08670	0.1
91.05476	0.1
93.07030	0.2
95.01305	0.3
95.04954	0.3
95.08573	0.2
96.69245	0.1
97.02856	0.1
98.21526	0.1
103.05475	0.2
105.03372	0.8
105.07014	0.3
107.04941	0.9
107.08587	0.1
109.02858	0.6
109.10148	0.2
111.00785	1.4
111.04413	0.3
111.08009	0.1
115.05432	0.1
117.07018	0.2
119.04932	0.1
119.08569	0.4
121.02847	5.5
121.03828	0.2
121.10099	0.1
122.03172	0.1
125.02254	0.1
126.60012	0.1
127.03864	0.1
129.06972	0.3
131.04866	0.1
131.08607	0.1
133.02834	0.8
133.06473	0.1
133.10094	0.1
135.04410	0.3
135.08072	0.1
137.01328	0.1
137.02322	1.9
139.05453	0.1
141.06984	0.2
143.04990	0.1
143.08565	0.1
145.06429	0.5
145.10097	0.2
147.04385	1.2
147.11656	0.1
151.03868	0.1
153.01805	8.8
154.02174	0.1
157.06468	1.0
157.10162	0.1
159.11699	0.2
161.05963	0.4
165.01813	3.2
165.05444	0.2
166.02464	0.1
169.06480	0.1
171.02960	0.1
171.04388	0.6
175.03859	0.1
175.07437	0.1
177.77298	0.1
183.02864	1.7
183.04475	0.1
184.05168	0.1
185.05960	1.1
185.13202	0.1
189.05481	0.2
191.03387	0.1
194.02145	0.1
197.05925	0.3
199.03798	0.1
201.05502	0.1
201.16368	0.2
203.03424	0.1
203.07008	0.2
213.05441	2.8
216.04134	0.1
217.04861	0.1
229.04839	0.4
230.05699	0.1
231.06435	1.2
241.04930	1.3
242.05597	0.1
243.06544	0.2
258.05197	2.1
259.05997	0.6
269.04327	0.4
269.22571	0.1
287.05450	100.0
287.23325	0.4
288.05780	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.1
55.01872	0.1
56.79516	0.1
65.03928	0.3
67.01856	0.2
68.99427	0.1
68.99781	1.7
69.03415	0.1
70.09115	0.4
71.01325	0.1
79.05491	0.4
81.03390	0.2
91.05453	0.1
94.04183	0.1
95.04958	0.2
103.05447	0.2
103.40835	0.1
104.96581	0.1
105.03375	0.9
107.04275	0.1
107.04942	0.9
109.02863	0.6
110.36741	0.1
111.00781	1.3
111.04416	0.3
115.05410	0.1
116.77271	0.1
117.06981	0.1
119.04905	0.2
121.02847	6.2
127.03891	0.3
128.06230	0.1
129.06969	0.3
130.64926	0.1
131.04922	0.1
133.02824	0.7
133.06429	0.1
135.04390	0.3
137.02315	1.8
141.06973	0.2
145.02791	0.1
145.06453	0.5
147.04373	1.1
151.03886	0.1
153.01801	9.2
154.02148	0.1
157.06470	1.2
158.79221	0.1
161.02319	0.1
161.05930	0.4
165.01813	3.1
169.06454	0.1
171.02950	0.1
171.04359	0.5
175.03906	0.1
175.07542	0.1
183.02867	1.6
184.05092	0.1
185.05957	0.9
185.07457	0.1
189.05347	0.3
191.03302	0.1
197.05940	0.2
199.03874	0.1
201.05429	0.2
203.03362	0.3
203.07016	0.2
213.05426	2.9
216.04146	0.1
217.04927	0.1
229.04889	0.3
231.06473	1.2
240.78065	0.1
241.04883	1.4
242.05565	0.1
243.06441	0.2
245.04379	0.1
257.04712	0.1
258.05197	2.1
258.07809	0.1
259.05957	0.8
269.04401	0.3
287.05444	100.0
288.05780	4.4
297.71216	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28205	0.1
55.01854	0.1
59.36774	0.1
65.03925	0.1
67.01843	0.2
68.99427	0.1
68.99779	1.5
69.03401	0.1
73.21511	0.1
79.05473	0.5
81.03391	0.1
91.05443	0.1
95.01318	0.1
95.04940	0.3
97.02860	0.1
98.20695	0.2
102.83764	0.1
103.05457	0.3
105.03367	0.7
107.04933	0.8
109.02863	0.5
111.00796	1.3
111.04409	0.3
115.05464	0.1
119.04931	0.2
121.02850	5.7
121.03811	0.2
121.32184	0.1
127.03876	0.2
129.06998	0.3
133.02817	0.9
135.04378	0.3
137.02327	1.7
141.06955	0.2
145.06485	0.4
147.04381	1.1
149.02284	0.1
151.03922	0.1
153.01807	8.3
157.06483	1.0
161.05879	0.4
163.03865	0.1
165.01817	2.9
169.06502	0.1
171.02939	0.2
171.04384	0.6
175.03856	0.2
183.02858	1.4
185.05922	1.1
189.05475	0.3
197.05960	0.3
199.03896	0.2
201.05539	0.2
203.07071	0.3
213.05435	2.6
216.04153	0.1
217.04813	0.2
229.04889	0.3
229.31747	0.1
231.06483	1.0
241.04948	1.4
243.06519	0.1
258.05206	2.1
259.06000	0.8
267.79651	0.1
269.04422	0.4
287.05453	100.0
288.05786	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Cyanidin
Peak:m/z	Relative Intensity
50.68464	0.1
65.03925	0.3
67.01853	0.1
68.99773	1.6
69.03422	0.2
79.05460	0.5
81.03407	0.2
88.00565	0.1
95.04952	0.2
103.05435	0.2
105.03358	0.7
107.04945	1.0
109.02867	0.6
110.03571	0.1
111.00767	1.4
111.04414	0.4
117.07052	0.1
119.04913	0.1
121.02844	5.5
122.26991	0.1
123.74386	0.1
127.03934	0.2
129.06963	0.2
133.02808	0.9
133.06480	0.1
134.75298	0.1
135.04411	0.3
137.02299	2.0
141.06976	0.1
145.06445	0.4
147.04407	1.1
153.01796	8.8
153.06836	0.1
154.02126	0.1
157.06439	1.0
161.05923	0.5
165.01807	3.3
165.03204	0.2
169.06342	0.2
171.04395	0.5
175.03879	0.2
180.44313	0.1
183.02846	1.8
185.05981	1.0
189.05443	0.3
194.02005	0.1
197.05923	0.3
201.05392	0.1
203.03409	0.2
203.06970	0.3
211.09201	0.1
213.05414	2.5
217.04988	0.1
229.04927	0.3
231.06476	1.3
241.04889	1.6
245.04242	0.1
258.05215	2.0
259.05951	0.9
269.04434	0.3
270.05371	0.1
287.05432	100.0
288.05756	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	287.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.1
55.01859	0.1
57.22948	0.1
58.89230	0.1
65.03921	0.2
67.01859	0.2
67.05486	0.1
68.99421	0.1
68.99776	1.8
69.03415	0.2
71.01342	0.1
71.05962	0.2
74.68433	0.1
79.01824	0.1
79.05484	0.5
81.03416	0.3
81.07030	0.1
81.14789	0.1
91.05460	0.2
93.03371	0.1
93.07023	0.1
95.04952	0.3
103.05444	0.2
105.03380	0.6
107.04955	1.0
109.02863	0.7
111.00780	1.2
111.04444	0.4
115.05441	0.1
117.06999	0.1
119.04920	0.2
119.08545	0.1
121.02850	5.7
121.03831	0.2
121.06465	0.1
122.03202	0.1
122.06033	0.1
124.07565	0.1
127.03880	0.3
128.06241	0.1
129.07005	0.4
133.02824	0.8
135.04356	0.4
136.07552	2.3
137.02321	1.9
141.06972	0.2
145.02905	0.1
145.06474	0.6
147.04391	1.3
147.07990	0.1
151.03856	0.1
152.07068	0.1
153.01804	9.1
154.02110	0.2
157.06459	1.2
161.05962	0.4
164.07047	1.9
165.01810	3.3
166.02411	0.1
169.06561	0.2
171.02943	0.1
171.04353	0.6
173.05919	0.1
175.03911	0.2
175.07497	0.1
179.03419	0.1
183.02859	1.7
184.05168	0.1
185.05946	1.1
189.05405	0.4
195.04272	0.1
197.05943	0.3
199.03877	0.2
201.05482	0.1
203.03372	0.2
203.07037	0.3
212.04640	0.1
213.05434	3.1
214.05913	0.1
216.04166	0.1
217.04950	0.1
229.04926	0.4
230.05617	0.1
231.06483	1.2
241.04903	1.3
242.05566	0.1
243.06236	0.1
245.04366	0.1
258.05209	2.2
259.05994	0.9
263.05371	0.1
269.04391	0.3
286.04593	0.1
287.05450	100.0
288.05786	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	287.0543
Annotation	Cyanidin
Peak:m/z	Relative Intensity
51.45681	0.0
53.03923	0.1
55.01858	0.1
61.42143	0.0
63.34907	0.1
65.03918	0.2
67.01848	0.3
68.99477	0.1
68.99776	1.7
69.00154	0.1
69.03409	0.2
69.35069	0.5
69.35448	0.1
69.46538	0.1
71.01334	0.1
77.03903	0.1
78.01064	0.1
79.05470	0.4
81.03403	0.3
85.73775	0.0
87.32613	0.0
91.05435	0.1
93.03380	0.1
95.01288	0.1
95.04939	0.3
97.02879	0.1
103.05449	0.2
105.03362	0.8
105.04483	0.1
105.06998	0.1
105.83046	0.1
107.04933	0.8
109.02853	0.6
110.03613	0.0
111.00784	1.3
111.04426	0.4
115.05434	0.2
117.06986	0.1
119.04905	0.1
121.02843	5.8
121.03860	0.2
122.03145	0.1
127.03880	0.2
129.06992	0.3
131.04878	0.1
133.02827	0.8
135.04384	0.3
137.02310	2.0
139.05382	0.1
141.06911	0.2
143.04930	0.1
145.02760	0.1
145.06467	0.5
146.70921	0.0
147.04388	1.2
151.03842	0.1
153.01794	9.1
154.02161	0.1
157.06450	1.0
160.05168	0.1
161.05910	0.3
163.03871	0.1
165.01805	3.1
166.02415	0.1
167.04955	0.0
169.06462	0.1
171.02843	0.1
171.04387	0.6
173.05939	0.1
175.03860	0.2
175.07480	0.1
179.03401	0.1
181.01376	0.1
183.02861	1.6
184.05144	0.1
185.05936	1.0
189.05424	0.3
194.02101	0.1
197.05939	0.2
199.03827	0.1
201.05559	0.1
203.03360	0.1
203.07021	0.2
212.04599	0.1
213.05421	2.7
214.05855	0.1
215.07152	0.1
216.04140	0.1
217.04890	0.1
218.05737	0.1
229.04895	0.4
231.06462	1.2
241.04903	1.5
242.05576	0.1
243.06503	0.2
245.04391	0.1
258.05194	2.1
259.05939	0.8
263.05542	0.1
269.04370	0.4
286.04669	0.1
287.05435	100.0
288.05768	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	287.0545
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03930	0.1
55.01895	0.1
56.14078	0.1
65.03930	0.2
67.01846	0.2
68.99426	0.1
68.99780	1.5
69.03403	0.1
71.01359	0.1
71.06316	0.2
72.00134	0.1
79.05477	0.5
81.03394	0.2
91.05453	0.1
95.04943	0.3
97.02860	0.1
103.05466	0.2
105.03371	0.7
105.06963	0.1
107.04929	0.8
109.02856	0.5
110.48391	0.1
111.00784	1.2
111.04401	0.4
119.04899	0.1
119.08572	0.1
121.02843	5.0
122.03160	0.1
127.03851	0.2
129.07039	0.1
133.02835	0.7
135.04376	0.3
137.02319	1.9
141.06935	0.3
145.06461	0.4
145.10019	0.1
147.04382	1.1
151.03931	0.1
153.01794	8.5
154.02159	0.1
155.06049	0.1
157.06453	1.0
161.05930	0.4
164.95078	0.1
165.01804	2.8
166.02399	0.1
167.04967	0.1
169.06473	0.2
171.02939	0.1
171.04387	0.5
173.05930	0.1
175.03883	0.2
175.07574	0.1
183.02861	1.5
184.05200	0.1
185.05945	1.1
189.05380	0.2
197.05951	0.2
199.03839	0.1
201.05434	0.1
203.03407	0.2
203.07024	0.3
213.05420	2.7
214.05872	0.1
216.04382	0.1
219.06465	0.1
229.04909	0.3
231.06451	0.9
241.04880	1.4
242.05341	0.1
243.06435	0.2
258.02451	0.1
258.05197	2.2
259.05939	0.7
269.04395	0.2
287.05438	100.0
288.05759	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	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
53.15878	0.1
55.01857	0.2
55.99989	0.1
65.03926	0.2
67.01853	0.3
68.99426	0.1
68.99780	1.8
69.03430	0.1
71.26011	0.2
79.05481	0.4
81.03393	0.2
91.05509	0.1
93.51633	0.1
95.04945	0.2
97.02884	0.1
103.05433	0.1
105.03383	0.8
107.04948	1.1
109.02876	0.6
111.00787	1.3
111.04417	0.4
115.05444	0.1
119.04878	0.1
121.02850	5.9
121.03826	0.2
122.03197	0.1
125.06067	0.1
127.03899	0.2
128.06198	0.1
129.06982	0.4
133.02856	0.8
135.04399	0.2
137.02327	1.9
139.05424	0.1
141.06960	0.2
145.06499	0.5
147.04390	1.3
151.03831	0.1
153.01805	8.5
154.02168	0.1
157.06467	1.1
160.70930	0.1
161.05946	0.3
163.03871	0.2
165.01822	3.3
169.06400	0.2
171.04420	0.6
173.05956	0.1
175.03853	0.3
175.07541	0.2
177.05379	0.1
179.03296	0.1
183.02867	1.6
184.05170	0.1
185.05925	1.0
189.05341	0.2
191.47591	0.1
194.02194	0.1
197.05997	0.2
199.03925	0.1
203.03430	0.2
203.06998	0.3
212.04518	0.1
213.05421	3.0
216.04083	0.1
217.04875	0.1
224.04329	0.1
229.04878	0.3
231.06485	1.2
241.04915	1.3
242.05588	0.1
243.06522	0.1
245.04330	0.1
257.04514	0.1
258.05191	1.8
259.06000	0.7
269.04340	0.4
287.05453	100.0
288.05777	3.3
290.57458	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	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.1
53.90280	0.1
55.01864	0.1
61.99679	0.1
65.03927	0.3
67.01852	0.2
67.97735	0.1
68.99424	0.2
68.99774	1.7
69.03400	0.2
70.66335	0.2
70.66700	0.2
78.65840	0.1
79.05471	0.5
81.03397	0.2
83.01311	0.1
91.05415	0.1
93.03387	0.1
95.04956	0.3
103.05433	0.2
105.03368	0.8
105.92306	0.1
107.04933	1.0
109.02865	0.8
111.00788	1.3
111.04416	0.3
111.08036	0.2
115.05444	0.2
117.06978	0.1
119.04939	0.1
120.17924	0.1
121.02850	5.7
121.03876	0.3
122.03159	0.1
127.03923	0.1
129.06972	0.2
131.04880	0.1
133.02812	0.7
135.04393	0.3
137.01326	0.1
137.02318	1.8
139.05435	0.1
141.06958	0.3
145.06447	0.5
145.09987	0.1
147.04375	1.2
153.01805	9.1
154.02148	0.2
157.06447	1.1
158.54642	0.1
161.05969	0.4
163.03732	0.1
165.01813	3.2
166.02283	0.1
169.06450	0.2
169.98917	0.1
170.30031	0.1
171.03006	0.1
171.04364	0.5
171.06726	0.1
171.89185	0.1
173.05969	0.1
175.03809	0.1
175.07503	0.1
183.02867	1.7
183.04498	0.1
185.05957	1.0
189.05473	0.3
194.02084	0.1
197.06065	0.2
199.03792	0.1
201.05615	0.1
203.03421	0.1
203.07056	0.2
212.04726	0.1
213.05429	2.6
214.05792	0.1
217.04836	0.2
229.04898	0.4
231.06477	1.2
241.04893	1.4
242.05508	0.2
243.06389	0.2
245.04407	0.1
258.05203	2.2
259.05933	0.8
269.04257	0.4
286.04605	0.2
287.05441	100.0
288.05786	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	286.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01863	1.0
55.05497	2.8
56.05014	0.7
56.96556	0.5
57.03433	3.6
57.07072	2.4
57.69564	0.6
59.04993	3.1
61.02916	8.0
67.05485	1.8
68.05003	1.2
69.03417	5.7
69.07064	0.8
69.32551	2.1
69.32977	2.3
70.06580	16.8
71.04982	6.6
72.08143	0.8
73.02896	2.2
73.06528	2.3
74.90363	0.4
77.00903	0.6
78.88602	0.4
79.05476	2.6
80.05001	1.9
81.03427	2.6
81.04509	1.0
81.06568	0.7
81.07047	13.2
82.05313	1.4
82.07379	0.6
82.99846	1.2
83.06093	8.8
84.04501	1.0
84.08133	0.9
85.02893	13.4
85.03410	0.8
85.06536	1.1
86.03243	0.7
86.09689	0.6
87.04444	1.4
87.08086	1.3
88.03953	0.5
89.06017	0.4
91.03931	1.4
91.05476	1.1
93.04511	6.0
93.07049	0.5
95.05027	0.8
95.06077	13.6
95.06681	0.7
96.04481	1.1
96.06390	0.7
97.02870	6.2
97.06495	0.4
98.97568	1.7
99.04442	1.3
99.08083	2.0
101.00856	4.5
102.96797	0.5
103.03944	0.5
106.06528	2.3
107.04946	3.9
107.06065	1.9
107.07042	1.1
108.08087	0.5
109.02840	1.9
110.07148	95.7
111.05529	1.9
111.07512	1.2
112.07587	17.8
112.08685	2.3
115.03951	0.6
116.07065	1.0
116.98610	1.1
119.01901	15.8
119.06044	0.9
120.01979	0.5
121.02841	3.2
121.06490	4.6
121.07616	1.5
124.03932	63.8
124.07568	14.0
124.08499	0.4
125.04300	1.4
125.07042	0.6
127.03891	3.1
129.06566	0.6
130.08617	0.8
131.01860	2.3
133.03462	1.3
135.04285	0.5
137.02948	2.4
138.05270	0.6
139.05034	0.5
140.05933	0.7
140.07033	12.5
143.01872	23.7
145.03482	2.3
145.04912	2.0
147.01343	0.5
147.04286	0.5
149.06596	0.6
151.06001	0.5
153.01794	1.9
153.04088	0.6
153.55890	0.6
155.01868	2.5
156.07664	14.1
157.03450	1.2
157.09685	1.1
158.06641	1.2
158.99651	0.5
160.06538	8.9
160.56683	1.9
161.02934	48.5
161.06511	1.4
162.05453	0.6
162.98978	0.5
163.04033	1.0
163.06276	0.6
163.12276	51.3
164.12668	1.0
166.06076	1.9
167.06998	1.1
169.07089	3.1
169.57155	0.6
171.04897	0.5
173.02946	2.8
173.06554	1.7
175.08141	1.2
176.07693	1.7
177.00719	0.6
180.57892	0.6
181.07106	0.6
181.13429	0.5
184.04565	2.3
185.02985	1.2
185.06668	2.3
185.09183	5.2
186.07642	2.1
188.07634	2.8
190.13388	9.5
193.13364	1.4
197.06488	1.7
199.04538	0.5
199.08134	0.6
203.03973	10.4
203.07596	1.7
205.01672	0.6
205.07339	1.5
205.09851	2.1
205.60118	1.0
208.14415	11.0
209.12906	0.5
210.15953	1.3
214.09323	0.6
215.07611	1.6
217.09172	1.5
219.11287	2.0
220.08531	0.5
221.05000	7.7
224.07632	2.0
227.07050	0.6
229.09180	0.8
236.13901	9.4
237.02672	0.9
240.17038	9.4
240.19345	0.7
241.04927	0.6
241.09213	0.7
241.15410	0.9
242.08731	2.1
242.18675	0.9
245.05046	1.7
250.10863	0.5
254.14969	22.4
255.15279	1.1
258.05197	0.6
258.07672	0.8
259.06198	0.5
263.06000	0.7
268.16354	1.0
269.08621	0.5
275.09668	1.5
286.09177	13.2
286.12845	3.6
286.17560	100.0
287.05524	28.5
287.10962	19.4
287.17679	3.4
293.10834	2.5
294.10815	0.7
305.10846	2.5
306.11188	0.5
307.04675	1.4
307.10580	0.5
309.08606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0917
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
53.06280	0.2
53.72696	0.2
53.79881	0.2
57.03420	0.2
61.02911	0.4
63.84823	0.2
66.39864	0.2
69.03412	1.0
70.06580	1.3
71.04993	0.3
71.05377	0.3
71.05712	0.5
72.13345	0.2
78.03432	0.3
80.05004	1.8
81.03408	0.3
82.82105	0.2
85.02899	2.2
96.04477	1.2
97.02861	0.7
98.97573	0.2
106.02914	0.4
109.96400	0.2
112.05069	0.7
112.07581	0.6
124.03931	100.0
125.04255	0.8
127.03874	0.4
145.04927	0.5
154.06152	0.7
155.96361	0.2
158.57297	0.2
162.53262	0.2
171.32265	0.2
185.09242	0.3
250.07178	0.3
259.68329	0.2
286.09164	2.3
287.05365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01854	0.5
57.03413	0.5
57.14139	0.3
61.02905	0.8
65.03936	0.3
68.99760	0.4
69.03406	1.0
69.07043	0.5
70.06586	1.6
71.04964	0.5
71.62182	0.4
73.02913	0.5
79.05466	1.1
81.03415	1.1
84.04493	0.7
85.02902	2.7
85.04015	0.7
86.09697	0.4
87.04441	0.5
88.03993	0.5
88.07590	0.3
89.06040	0.4
91.05447	0.5
94.06554	0.4
96.04472	0.3
97.02864	1.0
98.98502	0.4
99.04401	0.4
99.55412	0.3
101.62607	0.3
103.03955	0.3
105.03360	0.4
105.07037	0.3
106.06540	100.0
107.04919	1.0
107.06900	1.2
109.02862	0.6
111.00798	0.3
111.04443	0.4
112.07587	0.7
113.10746	1.1
116.07085	1.0
118.06531	3.4
119.04902	0.4
120.04462	0.6
120.08083	0.4
121.02842	3.7
121.06488	0.8
122.03182	2.2
122.06021	0.3
123.04395	0.4
124.03903	1.1
124.07578	2.8
127.03888	0.7
127.04940	0.3
130.05011	0.6
130.06497	0.8
137.02299	0.5
137.05962	0.4
138.09070	0.5
141.10204	2.0
145.06488	0.3
146.90854	0.3
147.04343	0.5
148.07495	0.5
153.01851	1.2
161.06006	0.4
165.01848	0.3
166.07300	0.6
167.07011	0.4
169.09726	0.4
185.09253	1.4
189.09100	0.4
194.06851	0.8
198.36331	0.3
211.06909	0.5
211.10751	3.6
213.05539	0.6
215.10614	0.4
222.06152	0.5
226.09300	1.4
231.06406	0.5
250.10619	0.5
250.14392	0.9
254.08958	2.7
258.05237	0.3
259.05981	0.4
265.06506	0.5
268.11786	1.1
268.15497	1.2
286.11249	2.1
286.13983	0.4
286.16678	1.1
287.05463	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.169
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03934	1.8
55.01841	5.3
55.05503	25.7
55.85167	1.4
57.03427	46.4
57.07052	3.5
63.00019	2.1
67.05491	33.5
68.99751	1.5
69.03397	6.5
69.07057	11.3
71.03931	3.3
71.04964	9.4
79.05481	31.1
81.03400	85.9
81.07039	49.1
82.11253	1.3
83.04973	17.1
83.08136	2.0
83.08600	33.2
85.02887	78.9
85.06505	4.3
91.05464	37.9
93.07021	28.9
95.04956	37.9
95.08588	21.1
95.62865	1.3
97.02836	4.2
97.06512	9.6
97.10146	3.9
105.07010	35.4
106.28096	1.5
107.04939	8.8
107.08572	15.0
109.06480	7.9
109.10145	10.3
111.04420	4.3
111.08053	22.5
113.06002	7.4
117.06966	2.7
119.04950	1.7
119.08551	33.1
121.02849	1.6
121.06441	3.7
121.10110	20.0
121.27116	1.2
123.08022	4.6
123.11689	6.8
127.07482	1.8
129.06979	14.1
131.08563	16.6
133.06450	2.1
133.10107	13.4
135.11626	2.9
137.09552	4.8
141.01686	2.0
142.07718	4.3
143.08479	3.5
145.10085	8.1
147.07993	4.5
147.11668	29.3
149.09590	10.9
153.71677	1.4
155.08563	2.3
157.10094	22.1
159.11604	2.6
163.03908	3.4
163.11113	2.2
165.01816	18.1
165.12703	6.4
169.10094	1.7
171.11682	2.7
173.13190	2.6
175.11168	27.5
181.04915	2.1
183.02858	20.6
183.11644	4.9
185.13202	2.3
191.03328	16.2
193.12209	88.1
194.12439	2.0
198.08998	2.3
199.14824	2.1
201.09352	1.6
211.13235	88.7
215.11798	2.8
223.14795	2.1
225.08920	2.6
225.16333	2.8
243.06419	3.9
243.11250	8.3
253.08539	2.6
267.15836	3.8
267.20975	6.4
285.04568	1.7
285.07761	10.0
285.11856	6.1
285.16861	100.0
285.21631	17.7
286.17300	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60152	0.8
50.74236	0.9
53.03931	1.2
53.67376	0.9
55.05499	11.7
56.05015	1.2
57.03436	4.8
57.07075	4.6
65.03918	1.4
67.05494	27.3
69.03398	1.3
69.07053	12.2
69.42729	5.6
69.43142	2.8
71.04974	1.9
71.08594	1.0
79.05048	1.6
79.05475	17.9
81.03410	5.9
81.07048	56.1
82.07353	1.6
83.04967	3.2
83.08603	10.2
85.02894	4.8
91.05471	14.0
93.07030	30.8
94.07364	0.8
95.04935	3.8
95.08594	59.6
95.58711	0.9
96.08923	1.5
97.06483	1.9
97.10171	8.1
98.20745	2.0
104.27351	0.8
105.06303	1.1
105.07016	20.2
107.08582	26.8
109.06483	1.8
109.10143	33.2
111.08053	2.1
111.37611	1.0
113.06001	1.0
117.06969	2.6
119.08557	21.7
121.09309	1.5
121.10133	23.6
123.11687	13.1
126.85319	1.1
127.70209	1.0
129.06972	1.2
131.08562	1.9
133.10127	16.5
135.11674	53.1
136.12036	1.3
137.13229	2.8
143.08514	1.5
145.10081	4.0
147.11673	28.9
149.09625	1.1
149.13240	23.1
151.14793	2.6
155.08513	1.2
157.10164	1.3
159.11644	4.8
161.13228	27.0
161.14574	1.3
163.14812	9.8
165.12701	1.4
165.16379	4.1
169.10054	1.2
173.13168	1.4
175.11250	2.0
175.14807	22.7
177.16290	4.5
181.02200	1.0
181.04964	2.2
185.13255	1.3
187.14792	3.0
189.16364	21.1
190.16769	1.0
191.03343	0.9
193.12193	7.3
198.57085	1.0
201.16373	2.3
203.17931	18.0
211.13258	3.7
215.17961	6.8
217.19518	1.6
229.19537	5.4
238.25215	1.5
239.17955	1.4
268.26321	11.0
285.03903	1.5
285.16635	5.7
285.22238	4.5
285.25714	100.0
286.17679	1.3
286.25977	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	285.1693
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
52.37323	1.0
53.03927	1.3
55.01859	1.9
55.05505	17.3
56.78918	1.3
56.94330	1.3
57.03179	1.7
57.03431	23.6
59.04988	1.5
60.50645	1.1
60.59138	1.0
64.49948	1.1
67.05496	34.0
69.03427	1.6
69.06702	1.7
69.07061	20.5
69.13170	1.1
70.66100	2.4
70.66471	2.4
71.04996	6.8
79.05482	17.4
81.03412	1.4
81.07050	100.0
83.04973	8.7
83.08621	10.0
85.02908	1.1
85.06528	5.6
87.04453	1.2
89.80044	1.2
91.05472	26.1
93.07040	15.5
95.04935	4.8
95.08595	21.7
97.06519	7.0
97.10159	2.6
97.34947	1.1
99.08069	5.8
101.05960	2.3
105.07021	42.7
107.08592	14.1
109.06477	6.5
109.10143	2.8
113.05961	1.9
119.08569	29.7
121.02832	1.9
121.10140	23.3
123.08064	2.8
123.11687	38.3
127.07524	2.9
129.06972	2.6
131.08548	1.8
133.10094	4.5
137.09610	2.0
137.13240	2.9
141.09097	1.3
142.07791	1.8
145.10101	3.8
147.11668	83.8
148.11966	1.5
157.10123	5.3
165.12726	46.2
175.11220	5.4
183.13841	5.7
193.12202	3.7
211.13239	1.9
225.08769	1.4
229.04904	1.6
229.14331	10.8
253.08585	1.9
257.04224	1.6
267.15970	5.7
285.04007	7.5
285.16913	85.5
285.22073	4.8
286.17090	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03943	1.8
55.01875	2.0
55.05502	15.7
57.03432	26.1
57.07074	1.1
58.79084	0.6
59.04979	1.2
61.53530	0.6
65.03942	0.7
67.05497	32.2
69.03431	1.5
69.07061	20.6
69.46333	1.4
69.46735	4.9
71.04987	6.5
73.06567	0.6
79.05092	0.4
79.05482	20.0
81.03408	5.3
81.07048	100.0
82.48775	0.6
83.04971	8.4
83.08614	11.0
85.02897	5.1
85.06531	7.8
87.04451	1.1
88.99659	0.7
91.05468	28.4
93.07034	13.3
95.04950	5.3
95.08598	22.6
97.06527	8.4
97.10155	1.4
97.80292	0.6
99.08088	3.3
100.59234	0.7
101.06043	1.5
105.07019	39.3
107.04961	1.0
107.08584	16.2
109.06494	7.3
109.10124	3.0
111.08075	2.6
113.05994	1.8
115.05460	0.8
117.06982	0.9
119.08570	32.1
121.06533	0.7
121.09461	0.6
121.10127	23.7
123.08080	4.8
123.11693	31.0
125.09567	0.9
127.07541	4.6
129.06963	2.9
130.20314	0.6
131.08562	2.5
133.06529	1.0
133.10115	5.3
135.07988	1.1
135.11644	0.9
137.09608	1.4
137.13199	3.0
141.09073	1.6
142.07857	1.3
145.10130	5.0
147.11670	83.6
148.11977	0.9
149.09554	1.5
155.08377	0.8
157.10124	5.9
159.11644	0.8
165.01775	1.5
165.12732	43.2
166.13074	0.9
175.11195	5.9
183.02907	1.2
183.13806	6.9
185.13234	0.6
189.12715	0.7
191.03337	1.9
193.12228	7.5
199.14772	1.5
211.13280	4.8
221.05948	0.9
225.09076	1.2
226.42697	0.7
229.14279	8.8
245.86353	0.7
253.08572	2.2
267.15811	6.4
267.21127	0.9
285.11432	2.9
285.16913	84.0
285.22058	5.2
286.17169	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03941	3.0
54.93104	1.1
55.01847	4.8
55.05503	20.6
57.03149	2.4
57.03428	41.3
57.07048	1.6
59.04978	1.7
59.91151	1.2
63.00014	1.6
65.49043	1.3
67.05168	2.0
67.05494	32.4
69.03414	6.3
69.04044	1.4
69.07053	10.9
71.04978	12.2
79.05480	30.3
81.03406	75.9
81.07045	47.4
83.04974	15.2
83.08609	28.7
85.02892	76.7
85.06523	3.3
91.05465	32.9
93.07027	23.2
95.04951	37.4
95.08595	20.1
97.02885	4.0
97.05950	1.2
97.06483	6.8
97.10147	3.9
99.08059	1.8
105.06369	2.2
105.07017	29.5
107.04946	6.4
107.08577	14.9
109.06500	6.6
109.07151	1.2
109.10145	7.0
111.04449	2.8
111.08060	19.9
113.05984	4.6
115.05456	1.8
117.06968	2.2
119.04890	2.2
119.08563	34.2
121.02863	3.2
121.06462	2.2
121.10115	19.1
123.08033	4.7
123.11653	5.1
123.38908	1.3
125.09641	1.9
129.06985	13.0
131.08556	15.2
133.06467	3.3
133.10106	15.0
135.08035	2.9
135.11707	2.6
137.09575	3.1
142.07738	5.6
143.08524	2.6
145.10126	6.2
147.08078	1.9
147.11665	24.8
149.09592	9.2
151.11115	1.8
155.08527	2.1
157.08885	2.2
157.10107	21.9
159.11670	4.9
161.09653	1.7
165.01900	1.5
165.12749	6.5
167.06987	3.1
169.10011	2.1
171.11697	2.0
175.09721	2.4
175.11160	25.8
179.57056	1.2
181.04893	1.4
183.02859	1.5
185.13254	2.1
187.14574	1.2
191.03433	9.3
193.12210	88.7
197.13208	1.8
199.14851	1.6
210.06705	1.4
211.13252	86.5
212.13612	1.3
221.05914	1.9
225.09096	3.1
227.07375	1.4
243.06450	2.4
253.08591	6.1
267.16040	1.6
267.21133	3.3
285.04068	1.3
285.07764	2.3
285.11203	7.0
285.16904	100.0
285.21500	12.5
286.16934	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	285.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29042	1.1
51.73293	1.3
53.03920	2.5
55.01870	2.4
55.05501	18.7
57.03427	40.2
57.07063	2.7
59.04993	2.4
62.19610	1.2
65.20464	1.3
66.69539	1.5
67.05492	31.1
69.03415	4.6
69.07067	10.8
71.04991	8.2
71.08620	2.3
72.78545	1.3
79.05054	2.0
79.05476	29.0
79.36160	1.4
81.03407	60.4
81.07047	43.2
83.04974	17.0
83.08606	26.6
85.02892	73.2
85.06522	3.0
87.04424	2.0
91.05466	38.8
93.07027	24.5
95.04946	29.8
95.08584	17.7
97.02881	3.7
97.06505	4.4
97.10126	2.3
99.08084	1.7
103.05437	1.6
105.07014	30.4
107.04944	3.9
107.08590	11.2
109.06514	7.8
109.10134	5.7
111.04424	4.4
111.08064	16.5
113.05974	7.3
115.05444	2.3
117.07004	1.7
119.08567	26.1
121.06514	3.9
121.10114	14.1
123.08057	4.6
123.11666	3.5
129.07001	11.4
131.08548	13.1
133.06427	3.2
133.09233	1.6
133.10124	14.4
137.09564	2.1
142.07762	2.2
145.10074	2.0
147.08018	3.6
147.10617	2.2
147.11670	22.4
149.09599	8.6
157.10101	16.6
159.11655	1.8
160.77580	1.4
163.11185	1.9
165.12758	4.3
169.10072	1.6
175.11179	19.9
181.04892	1.3
193.12215	75.6
211.13249	63.4
267.15863	3.1
285.16913	100.0
285.22028	4.3
285.29074	2.2
285.33444	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	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.33008	1.4
55.01849	3.7
55.05500	20.0
57.03427	38.2
57.07053	1.9
59.04972	1.5
65.03919	1.6
67.05490	32.8
68.99785	1.4
69.03403	6.1
69.07059	9.9
69.81174	9.5
70.06555	1.4
71.04634	1.6
71.04974	8.6
77.03905	1.4
79.05473	30.7
79.34048	1.2
81.03402	76.5
81.07036	41.3
83.04962	16.8
83.08601	25.8
83.42115	1.2
85.02888	60.4
85.06532	3.5
91.05460	35.2
92.20375	1.2
93.07028	25.1
95.04951	32.3
95.08047	1.5
95.08597	18.7
97.02892	3.2
97.06525	5.8
97.10206	2.7
99.04456	1.3
99.08054	1.7
105.07001	27.7
105.07673	2.3
107.04948	7.5
107.08557	8.8
109.02851	1.5
109.06488	6.7
109.10119	7.8
111.04419	2.9
111.08065	16.1
113.05961	5.3
115.05428	2.3
117.06994	2.9
119.08549	25.5
120.23402	1.5
121.02818	3.4
121.06483	2.8
121.10125	15.0
123.08043	4.8
123.11699	4.7
125.09593	1.8
129.06958	12.4
131.08537	12.3
133.06427	3.5
133.10118	13.8
135.11656	1.4
135.83708	1.3
136.94017	1.2
137.09554	3.2
137.13164	1.4
142.07765	2.6
143.08615	1.5
145.10107	2.6
147.07961	4.3
147.11647	24.7
149.09598	8.8
151.11073	1.9
157.10077	16.1
161.05925	1.9
165.06906	1.7
165.12709	7.4
173.05894	2.0
175.11143	17.7
191.03339	2.7
193.12212	82.8
201.05470	3.2
211.13252	54.5
211.15257	3.1
212.10779	2.4
221.06000	2.6
225.08966	3.7
229.04932	5.7
229.14240	1.7
253.08511	6.8
257.04395	4.4
267.15744	8.0
285.03925	20.4
285.11298	6.9
285.16898	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.169
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
50.01096	1.2
50.20795	1.0
53.03926	3.8
53.96652	1.3
55.01854	3.6
55.05259	1.6
55.05503	23.5
57.03428	41.3
57.07053	2.6
59.04968	1.5
63.00009	1.2
64.61099	1.3
65.03915	1.8
67.05492	36.3
69.03403	3.7
69.07056	11.4
71.04987	11.2
73.60271	1.2
74.56808	1.5
79.05486	30.9
81.03405	73.4
81.06573	2.3
81.07043	42.6
83.04966	15.5
83.08136	1.8
83.08604	30.3
85.02892	78.2
85.06523	4.0
87.04451	2.3
91.05472	41.8
93.07034	22.6
95.04955	33.1
95.08590	21.5
97.02869	3.2
97.06517	7.5
97.10136	5.1
98.21616	2.6
99.08082	3.1
100.67402	1.5
105.07018	30.6
107.04942	5.4
107.08574	9.6
109.06483	7.8
109.10120	6.9
111.04411	3.3
111.08065	18.5
113.06005	4.5
117.07035	2.3
119.08567	26.0
121.06473	1.7
121.10107	13.7
123.08013	3.7
123.11699	4.0
125.09599	2.1
129.06978	12.3
130.31461	1.2
131.08545	14.8
131.61218	1.3
133.06451	1.8
133.10117	17.8
137.09589	1.9
142.07748	3.4
145.10078	3.4
147.08005	2.7
147.11652	24.4
149.09595	8.7
157.10100	17.1
158.10474	1.4
159.11635	2.1
165.12724	4.7
165.14926	1.3
175.11162	20.1
175.42949	1.5
193.12218	87.6
211.13258	73.1
212.13687	1.4
267.15878	1.9
285.16904	100.0
285.22125	5.4
285.29623	1.4
285.33453	3.6
286.17285	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
52.47877	1.5
53.03938	2.3
55.01844	5.0
55.05500	18.8
57.03430	44.7
57.07050	3.3
67.05174	2.4
67.05495	35.1
69.03400	5.3
69.07052	11.9
69.93919	10.1
71.04967	8.2
77.52979	1.3
79.05479	25.5
81.03404	71.6
81.06580	2.2
81.07043	42.3
83.04961	17.3
83.08607	28.6
85.02892	70.2
85.06531	4.2
91.05470	36.2
93.07030	20.2
95.04956	31.2
95.08594	19.7
97.02869	3.7
97.06494	6.4
97.10134	4.6
98.98382	1.4
99.08102	1.7
105.07014	31.3
107.04948	3.4
107.08567	11.4
109.06490	7.9
109.10111	6.6
111.04409	4.4
111.08070	15.2
113.05939	4.3
115.05404	2.3
115.83239	1.6
117.06995	2.7
119.08566	26.3
121.06481	1.6
121.10119	18.6
123.08029	4.1
123.11649	4.3
129.06970	14.0
131.08560	15.8
133.06456	2.1
133.10091	17.2
135.11646	1.9
137.09583	3.6
142.07739	3.4
143.08499	2.7
145.10049	5.9
147.08028	4.3
147.11656	25.8
148.75763	1.7
149.09616	8.9
155.08488	2.2
157.10115	21.3
159.11633	2.4
161.13245	1.6
163.02257	1.6
163.11122	1.7
165.12698	4.4
169.10089	3.7
171.11548	2.1
175.11169	23.8
181.04918	4.8
183.11613	1.6
193.12212	81.8
201.38911	1.6
211.13255	78.4
230.28169	1.6
239.18010	4.6
267.15793	2.4
267.20981	2.5
285.16879	100.0
285.22034	8.2
285.25345	11.5
285.33115	2.1
286.17114	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1692
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03925	2.5
55.01852	4.2
55.05260	1.7
55.05505	23.4
57.03431	46.7
57.07069	2.1
63.00020	2.4
67.05165	2.0
67.05498	31.6
68.05762	1.4
69.03406	3.9
69.07069	11.2
71.04980	10.7
79.05486	32.0
81.03409	79.3
81.07049	42.7
83.04972	16.0
83.08610	30.0
85.02898	78.0
85.03419	3.9
85.06519	4.1
86.46335	1.6
88.76048	1.4
91.04960	2.9
91.05473	35.3
91.32647	1.5
93.07039	20.9
95.04964	36.8
95.08606	17.5
97.02875	3.2
97.06499	5.8
97.10125	3.9
103.12154	1.5
105.07021	34.8
107.04918	5.4
107.08595	11.5
109.06504	8.8
109.10136	5.9
110.96760	1.6
111.04424	3.9
111.08060	19.1
113.05981	6.6
115.36405	1.4
117.07000	3.7
119.08570	28.7
121.06453	3.2
121.10123	15.2
123.08048	4.4
123.11663	4.8
129.06976	10.9
131.08571	14.2
133.06438	5.1
133.10114	14.7
135.11655	2.1
137.09601	3.2
142.07829	3.8
145.10068	4.0
147.08015	2.7
147.11667	24.9
149.09570	5.9
157.10129	20.7
165.12703	4.8
171.11755	1.6
175.11140	23.3
181.04877	1.6
193.12224	100.0
211.13272	73.9
229.14310	2.2
239.17992	2.1
250.95917	1.7
267.15851	3.5
285.16907	98.9
285.22064	8.5
285.33337	3.6
286.17087	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1691
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.29745	1.7
53.03913	2.1
55.01849	4.3
55.05503	21.7
57.03428	46.2
57.07046	4.9
63.00013	2.4
67.05169	2.1
67.05494	32.1
69.03388	6.8
69.07049	10.2
71.04984	9.1
71.63085	2.2
79.05071	2.4
79.05477	29.1
81.03402	84.3
81.07038	40.3
83.04966	17.1
83.08139	2.4
83.08600	34.5
85.02887	76.8
85.06525	2.6
91.04965	2.6
91.05468	37.7
93.07027	21.4
95.04372	2.2
95.04949	38.2
95.08589	16.7
97.02833	4.5
97.06480	7.6
97.10152	4.3
97.18770	1.6
105.06384	3.1
105.07013	32.8
107.04939	8.8
107.08576	13.0
109.06463	7.5
109.10141	8.0
111.04382	4.8
111.08064	21.1
113.05956	4.9
115.05431	2.3
119.07815	2.0
119.08561	27.2
121.06457	2.5
121.10131	13.8
123.08025	4.2
123.11691	4.6
128.06163	2.0
129.06995	14.5
130.07755	1.8
131.08522	17.4
133.06400	2.5
133.10123	13.0
135.04352	4.0
135.07962	1.7
135.11658	3.8
137.09500	2.2
141.06889	1.6
142.07710	4.6
145.10056	6.0
147.07991	3.6
147.11653	44.5
149.09531	7.2
155.08519	2.7
157.10074	22.6
159.11513	2.1
165.12737	8.8
169.10048	2.5
171.11630	1.9
173.03676	2.8
175.11159	26.6
181.04956	2.4
183.11627	2.8
185.13113	2.4
193.12210	94.2
197.13126	2.2
211.13243	81.0
229.09668	2.3
239.17807	7.1
266.82333	1.9
267.15790	3.6
267.20923	2.5
285.03625	2.0
285.16833	100.0
285.22028	11.1
285.25000	2.5
285.29498	3.4
286.17236	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	285.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
55.01855	4.3
57.03424	8.3
67.05473	1.5
69.03417	2.7
69.61529	9.4
70.06573	3.3
71.04971	1.2
71.06889	1.2
73.00641	1.1
75.04453	3.5
76.04661	1.2
79.05479	9.6
81.03397	1.3
81.07047	2.3
83.04916	1.5
85.02891	15.6
85.42619	1.0
85.47495	1.1
91.03922	1.8
91.05460	17.6
93.07020	2.9
95.04937	4.0
95.08598	1.7
95.64275	1.3
97.02876	3.2
97.06531	1.7
100.11244	1.3
103.05458	5.1
105.03383	6.0
105.07009	20.9
106.04176	3.0
107.04935	10.5
108.05701	1.9
109.02863	1.8
109.06471	6.6
112.07553	2.3
112.76966	1.2
113.07909	1.7
115.05447	2.6
118.04147	2.0
119.04922	24.2
121.02834	1.6
121.06456	10.7
122.07283	2.7
123.04372	6.8
123.07981	3.5
125.05939	2.0
127.03898	5.1
131.04926	1.7
133.06479	19.5
134.03619	6.1
135.04401	7.5
136.05167	5.1
137.05911	3.2
140.04651	13.2
141.05379	1.4
145.04924	6.4
147.04382	8.0
147.08008	1.5
149.05954	18.8
151.07512	16.0
153.05435	100.0
154.06020	1.8
161.05954	37.8
163.03900	2.6
165.05363	2.1
166.06326	1.1
167.07010	17.1
168.07790	90.8
169.08090	2.3
175.93066	1.3
177.05429	4.2
178.06271	3.3
179.06941	10.1
180.26807	1.2
181.08549	5.3
193.08571	54.9
194.08955	1.7
196.07268	77.0
197.07626	2.2
209.08044	9.1
210.08864	1.9
211.09622	78.0
225.09219	1.1
237.11157	1.6
285.07626	2.3
285.13431	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	285.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01856	3.3
57.03208	0.9
57.03431	8.6
61.02921	2.0
63.73993	0.8
67.05484	2.5
69.03403	4.3
69.07069	0.9
69.52454	5.5
69.52867	1.5
70.06567	2.6
70.26474	0.8
71.04956	1.1
73.53040	0.9
75.04465	2.5
79.05489	7.9
80.06296	0.9
81.03392	2.7
81.07052	0.9
85.02894	18.5
91.03923	1.3
91.05468	16.9
93.03355	1.4
93.07022	4.3
95.04960	3.9
95.08586	2.8
97.02888	5.7
97.06532	1.6
100.11216	0.9
103.05441	4.6
105.03411	5.6
105.07021	18.0
106.04182	2.5
107.04929	11.4
107.08566	1.2
109.02862	1.7
109.06502	6.0
109.10175	0.9
115.05436	3.4
118.04144	3.3
119.04926	25.0
121.02880	1.4
121.06488	9.2
122.07267	2.3
123.04408	9.6
123.08047	3.7
125.05968	2.7
127.03921	4.9
131.04878	1.2
133.06476	17.5
134.03619	4.1
135.04395	7.8
135.07991	1.9
136.05193	7.3
137.05965	3.2
137.09641	1.0
140.04654	11.9
145.04942	8.1
147.04379	7.1
147.07991	1.1
149.05951	19.7
150.06627	1.4
151.07535	13.0
152.04645	1.5
153.05444	100.0
154.05910	1.3
161.05960	38.7
163.03856	1.3
163.06007	0.9
163.07622	0.9
165.05406	3.5
167.07013	18.5
168.07796	94.1
177.05473	4.0
178.06250	1.9
179.07002	9.1
181.08585	4.1
182.09315	1.2
187.07315	1.2
191.03394	1.8
193.08580	55.8
194.08931	2.2
196.07277	78.0
197.07619	1.9
198.93694	0.9
209.08060	9.1
210.08702	1.6
211.09627	78.3
212.09927	2.7
237.10979	1.0
253.08437	1.6
285.07654	2.4
285.12711	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32761	1.0
53.03939	1.4
55.01857	2.4
55.05475	1.1
55.54681	1.2
57.03415	4.8
60.16775	1.1
61.02917	3.8
61.80448	1.0
65.03934	1.4
67.98011	1.1
69.03426	11.6
69.07058	13.9
70.00912	6.5
70.03751	1.2
70.06583	7.4
71.04974	1.4
73.02901	2.0
81.03419	5.8
82.03751	1.4
84.08106	1.4
85.02896	59.0
86.03234	1.8
87.04449	2.0
87.08095	100.0
91.03946	2.3
91.05453	1.5
95.04922	3.2
95.44630	1.3
96.05298	1.7
97.02878	13.1
98.97593	1.8
99.04442	3.3
105.09133	1.6
109.02849	4.5
112.07602	5.3
115.03892	1.3
121.02858	39.7
122.03182	39.3
122.04111	0.8
127.03903	11.4
131.08542	6.9
139.03886	3.4
140.04240	1.7
140.06961	1.2
145.03876	1.8
145.04938	18.8
149.05945	1.1
159.08015	5.3
163.05998	7.0
164.07074	1.8
165.09114	2.3
175.07617	1.4
177.09088	9.4
220.13275	8.6
222.11317	1.8
248.12814	3.1
253.08633	2.4
266.07434	2.5
266.13818	5.1
267.14447	3.3
284.15012	2.0
284.18448	1.3
284.29407	2.9
285.11279	1.6
304.50064	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0963
Annotation	Benzoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
53.03930	2.9
54.32413	0.6
55.01859	3.6
55.05478	0.6
57.03425	7.0
59.04964	0.8
61.02916	10.0
64.73106	0.6
65.03931	0.8
67.05491	0.7
69.03419	17.6
70.06590	1.2
70.28432	1.7
70.28827	0.9
71.04976	3.1
73.02904	5.5
79.05480	22.3
81.03414	7.7
81.07036	1.3
85.02892	100.0
86.03196	0.9
86.55117	0.6
87.04462	2.5
87.91334	0.6
88.23306	0.6
90.34339	0.7
91.03945	9.2
91.05475	3.6
93.07027	1.4
95.04964	2.4
97.02876	22.4
99.04438	5.3
101.79416	0.6
103.03931	1.0
103.05437	1.6
105.03377	5.9
105.07016	4.0
105.26221	0.7
107.04939	1.6
107.08588	0.6
109.02871	6.8
109.06512	1.6
109.10138	0.9
112.07608	0.7
115.03925	1.2
115.05486	0.9
119.04895	4.2
120.21645	0.8
121.02818	0.7
121.06490	2.4
122.09733	0.7
123.04408	42.2
123.08044	1.5
127.03899	23.0
132.02988	0.6
133.06477	3.0
135.04443	0.8
136.05202	0.8
140.04741	1.4
141.05428	0.9
145.04933	40.2
147.04381	1.4
149.05989	3.5
151.07544	2.0
153.05438	17.8
161.05971	7.8
163.06004	6.5
167.07039	3.1
168.07809	14.2
168.09207	0.9
177.05420	0.7
179.07024	2.4
181.08540	0.9
193.08591	10.5
196.07286	15.3
209.08185	2.1
211.09618	12.1
211.11455	0.9
225.09062	0.7
285.07794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01876	2.6
57.03430	6.2
57.07050	1.2
61.02913	7.7
63.00035	1.2
69.03411	13.1
69.07056	43.1
70.06579	12.0
70.75336	2.0
70.75670	2.2
71.04974	2.4
73.02905	4.3
81.03415	7.5
81.07058	1.4
82.03729	1.4
84.04515	1.3
84.08106	1.1
85.02892	100.0
87.04448	3.3
87.08092	46.9
89.70493	1.1
91.03944	4.8
91.05460	1.6
95.04930	1.4
97.02878	21.8
99.04436	2.8
105.09165	1.6
109.02849	8.2
112.07601	7.6
119.08591	1.4
121.02850	12.9
121.06522	2.2
122.03184	12.8
127.03883	24.8
131.08524	6.3
137.05920	1.2
140.07042	3.6
145.04938	41.1
147.04353	1.3
159.07973	5.9
163.05978	20.0
165.09158	1.6
177.09065	6.0
197.57372	1.0
220.13300	6.0
232.08910	1.2
248.12941	3.1
266.07556	1.2
266.13870	5.8
267.14291	5.2
276.16415	1.2
284.15094	1.3
284.29364	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0985
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.01851	0.3
57.03414	0.5
61.02907	0.2
66.37014	0.2
69.03416	0.5
70.06554	0.3
70.86846	0.4
73.02895	0.3
81.03391	0.2
84.08065	0.2
85.02883	1.2
87.04436	0.3
96.09229	0.1
97.02859	0.5
98.97535	0.2
101.00870	0.2
102.39201	0.2
109.02874	0.2
109.05060	0.5
110.03517	1.5
112.20512	0.1
119.01902	0.9
121.01588	0.1
122.50139	0.2
127.03965	0.2
128.04578	0.9
131.01848	0.2
133.04996	0.2
135.02992	3.3
136.06166	0.2
145.04930	0.2
152.05646	100.0
153.04056	6.0
153.05135	0.2
153.05984	0.6
157.03374	0.3
161.02869	0.4
163.69566	0.2
175.04510	0.2
177.00917	1.2
194.07104	0.2
203.04015	0.2
203.21707	0.2
217.04002	0.2
219.01961	2.0
243.01973	0.4
253.62668	0.2
261.03000	11.3
262.03162	0.9
284.04675	0.5
284.09924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2052
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
50.33542	1.2
53.03929	2.5
54.05793	1.2
55.01850	4.3
55.05502	14.3
57.03412	5.4
57.07059	4.5
57.24014	1.2
59.04970	1.7
65.03915	3.3
67.05492	25.3
69.03416	7.4
69.07056	15.7
70.56375	1.3
71.04990	19.6
71.08621	1.8
71.62590	2.2
73.46944	1.2
79.05054	2.1
79.05483	26.0
81.03392	4.8
81.07040	45.6
83.01334	2.4
83.04972	8.3
83.08597	9.7
85.02898	1.9
85.06525	3.6
89.06027	1.7
89.58141	1.3
91.05466	25.5
93.06464	2.2
93.07029	42.3
93.45724	1.2
94.07336	1.7
95.04954	16.2
95.08590	30.8
97.06502	8.0
97.10133	4.5
103.05424	2.3
105.07009	48.7
107.04962	4.4
107.08575	32.7
109.06503	7.5
109.10136	20.1
111.04411	3.8
115.05437	2.5
117.06988	14.1
119.04926	1.4
119.08560	37.5
121.02864	3.1
121.06502	9.7
121.10122	60.9
123.08043	8.1
123.11691	7.5
125.05930	1.4
125.09589	2.0
128.06210	4.0
129.07001	5.2
130.07788	6.6
131.08545	32.6
133.10114	34.7
135.08031	10.8
135.11678	16.2
137.09586	2.9
142.07756	5.5
143.08543	18.7
144.09294	5.1
145.06500	3.2
145.10097	49.2
146.07213	3.3
147.08011	4.5
147.11644	12.2
149.09558	3.5
149.13229	4.5
153.12723	2.3
154.30428	1.7
155.08559	4.4
156.09300	4.0
157.10124	16.3
158.10866	5.9
159.08049	4.2
159.11664	15.9
161.09572	24.1
161.11755	1.4
161.13232	5.6
163.11165	16.4
167.08554	3.7
168.09424	2.1
169.10078	5.7
171.11630	13.0
173.09602	6.4
173.13237	58.2
175.11212	4.5
175.14764	7.0
177.12650	1.5
179.08502	3.4
180.09323	2.0
181.10040	6.5
181.12189	2.9
181.75363	1.4
183.11700	7.4
185.09673	2.0
185.13223	11.6
187.11205	3.9
187.14778	10.7
189.12602	2.1
191.14256	6.8
193.10112	3.5
194.10883	5.7
195.11615	6.4
197.13277	6.3
199.11157	3.0
199.14757	10.5
201.12602	1.6
201.16316	3.5
208.12444	5.0
209.11588	1.5
209.13231	16.2
210.13947	3.7
211.14836	2.9
213.12720	4.9
213.16364	4.2
223.14803	10.6
224.15396	1.5
225.16341	6.6
227.12584	4.2
227.14584	6.8
235.14790	3.0
237.16321	3.8
239.17871	2.5
250.16931	2.0
255.21135	6.7
265.19510	23.9
283.05917	1.4
283.15567	15.2
283.20514	100.0
283.23926	7.8
284.20917	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	283.1535
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
55.01868	26.2
55.05503	52.4
57.03431	39.9
57.07040	8.4
59.04954	7.3
67.05494	29.1
69.03408	3.3
69.07058	13.6
69.54947	3.7
69.55350	17.5
71.04971	11.0
71.08588	6.6
79.05482	41.9
81.03402	19.3
81.07043	44.2
83.01335	29.2
83.04530	2.6
83.04959	27.2
83.08611	31.8
85.02866	6.7
89.06000	3.1
91.05464	28.0
93.06472	3.7
93.07026	58.0
95.04963	12.4
95.08591	26.0
97.02851	4.6
97.06538	12.7
97.10143	5.5
99.04399	6.7
105.07030	18.2
107.04951	15.5
107.08580	29.9
109.06470	10.9
109.10097	10.0
111.04433	11.5
111.08016	6.3
111.11689	2.6
117.07004	15.5
119.08556	21.6
120.57309	2.6
120.93836	2.6
121.02782	8.4
121.06452	8.7
121.10149	26.7
123.08041	18.9
125.05952	4.6
125.09576	3.6
129.06972	4.1
130.07736	4.0
131.08487	7.2
133.08516	3.2
133.10045	8.1
135.03464	2.3
135.07971	3.9
135.11679	30.0
137.09537	4.4
139.07550	2.6
143.08434	2.7
145.06464	2.9
145.10106	38.8
147.07961	4.8
147.11597	4.4
149.09634	2.6
149.13199	3.7
153.12665	10.2
155.08427	4.6
157.10088	3.0
163.11153	63.1
164.57394	2.4
173.09494	9.0
181.12242	13.9
183.47952	2.6
191.10530	10.0
191.12065	2.4
197.13083	2.2
209.11687	25.1
227.12709	22.0
247.24179	3.1
283.15207	100.0
283.20352	11.3
283.23859	9.0
284.15451	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	283.1534
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.98929	1.9
52.98175	1.9
53.03926	4.1
53.94424	1.9
54.80427	1.9
55.01869	18.5
55.05502	45.0
55.09041	2.1
57.03426	34.8
57.07064	4.4
59.04980	6.3
67.05496	21.9
69.07048	8.0
71.04967	7.4
79.05481	33.3
81.03401	19.7
81.07045	33.8
83.01324	23.8
83.04976	27.4
83.08607	24.9
85.02891	6.7
89.06012	6.9
91.05463	20.4
93.07032	52.3
95.04936	8.9
95.08616	16.4
97.02854	4.0
97.06512	8.2
97.10143	2.7
98.21526	4.1
99.04439	5.5
101.35949	2.0
105.07016	20.8
107.04943	14.6
107.08582	25.1
109.06483	14.4
109.10126	4.9
111.04408	4.9
111.08057	3.8
117.06981	15.5
119.08558	17.6
121.06483	5.8
121.10128	15.1
123.08073	16.3
125.06013	4.1
125.09583	4.4
129.06949	2.7
131.08521	7.3
133.10106	6.7
135.11673	25.7
137.09526	3.6
143.08531	2.3
145.06366	2.1
145.10103	34.4
147.08041	2.6
147.11732	3.0
152.32190	2.0
153.09148	2.2
153.12730	8.4
155.08427	2.6
163.11145	62.5
171.11624	2.5
173.09583	7.9
181.12212	13.3
187.99208	3.1
191.10641	8.8
209.11664	20.6
227.12756	14.1
283.15353	100.0
283.20517	4.2
283.24078	9.0
284.15695	4.4
286.85059	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10189	1.0
52.07411	1.0
53.03929	2.3
53.36548	1.1
55.01627	1.5
55.01867	19.3
55.05255	1.5
55.05503	20.7
57.03183	1.5
57.03429	20.9
57.07059	6.5
59.04985	3.0
65.03909	3.7
67.05494	37.8
67.29082	1.3
69.03395	4.2
69.07055	20.1
71.01337	1.8
71.04992	7.7
71.08616	1.9
79.05476	35.7
81.03413	9.8
81.06574	2.4
81.07043	43.9
83.01340	2.5
83.04968	39.1
83.08609	19.0
85.02893	7.2
85.06505	3.5
85.10120	2.1
89.05978	1.8
91.05471	18.2
93.07030	53.1
93.07617	2.5
95.04956	11.8
95.08591	45.8
97.02858	7.3
97.06521	13.2
97.10153	4.8
98.21532	2.1
99.04463	6.3
99.08072	2.3
103.05423	1.9
103.72667	1.2
105.07012	24.9
107.04937	9.8
107.08575	43.5
109.02821	2.6
109.06484	4.2
109.10149	21.9
111.04423	28.1
111.08051	11.4
111.11707	2.2
117.06977	13.2
119.07785	2.0
119.08569	31.1
121.02854	55.0
121.06479	7.5
121.10121	24.9
123.08035	3.1
123.11665	4.8
125.05923	3.7
125.09602	2.1
128.06198	2.5
129.06970	4.0
131.08556	17.1
133.10115	14.9
135.08011	3.5
135.11670	56.3
137.13213	1.6
139.03847	5.7
139.07491	3.0
142.07840	1.5
143.08531	10.8
145.06429	1.5
145.10100	42.7
147.08051	2.9
147.11673	14.5
149.09624	1.9
149.13252	9.1
153.12718	50.3
155.08504	4.6
157.10135	6.3
159.07932	1.7
159.11691	13.8
161.09592	4.2
161.13266	8.7
163.11160	50.2
163.14792	1.7
164.11403	1.3
169.10072	5.1
171.08035	1.5
171.11697	5.4
173.09628	6.1
173.13269	11.9
175.11205	4.0
175.14795	6.8
181.12209	35.5
183.11752	2.8
185.09573	4.1
185.13185	5.2
187.11064	1.4
187.14771	10.3
189.12685	4.2
189.16211	3.1
191.10690	13.4
193.05025	1.5
197.13139	3.6
199.11192	2.5
199.13147	1.7
199.14786	6.1
201.12645	1.3
201.16383	11.9
209.11685	11.3
209.13298	2.8
213.12726	5.6
213.16296	4.9
215.17935	1.7
223.14780	1.8
227.12711	96.1
227.17676	9.2
241.15765	1.4
241.19530	3.0
247.13287	1.5
255.21063	2.7
265.07077	2.6
283.06070	2.6
283.15338	100.0
283.20584	21.9
283.24115	83.4
284.15643	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	283.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91232	0.2
53.03939	1.7
53.30373	0.3
55.01854	0.5
55.05505	1.2
57.03434	1.3
57.07060	0.5
61.02908	0.3
65.03918	2.0
67.05490	2.2
68.99789	0.3
69.03063	0.6
69.03419	6.9
69.07062	2.5
69.57195	1.0
69.57623	1.2
71.01360	0.4
71.04984	1.1
73.02912	0.7
79.05460	1.3
79.51521	0.3
81.03407	13.9
81.07043	4.2
83.04980	0.6
83.08611	1.0
85.02890	5.2
85.06545	0.4
91.05474	1.0
93.07033	2.6
95.04953	4.2
95.08597	3.8
97.02869	2.7
97.06488	0.3
97.10162	0.5
99.04453	1.4
105.07006	2.4
107.04934	0.3
107.08578	2.7
109.02863	5.0
109.06535	0.4
109.10113	2.3
111.04417	2.0
117.06988	0.8
119.08569	2.2
121.02849	100.0
121.10118	1.4
122.03123	1.3
122.79586	0.3
123.11693	1.0
127.03885	2.3
130.48802	0.3
131.08531	1.9
133.10101	2.0
135.11646	1.7
139.03883	7.5
143.08510	0.5
145.04922	0.4
145.10072	2.0
147.11644	1.6
149.13203	1.2
151.11186	0.8
157.10103	0.6
159.11667	2.2
161.13234	1.2
163.11211	0.3
163.14839	0.5
169.10065	0.6
171.11668	0.5
173.13217	1.7
175.14778	0.9
184.70535	0.3
185.13223	0.8
187.14819	1.5
197.13252	0.7
199.14799	0.7
201.16417	1.4
205.04947	0.4
211.14772	0.3
213.16313	0.6
223.06027	0.4
227.17905	0.5
241.19412	0.4
250.39647	0.3
255.20996	0.4
265.07028	12.0
265.21817	0.3
266.07248	0.4
283.08145	1.3
283.15381	0.6
283.20520	2.1
283.24118	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	283.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.01858	0.2
57.03411	0.6
61.02910	0.3
65.03919	2.3
65.84166	0.2
68.99781	0.2
69.03419	3.6
71.01350	0.3
71.04989	0.3
71.31734	0.4
73.02940	0.2
77.38315	0.2
81.03404	5.2
85.02891	5.0
93.03309	0.2
95.04955	5.4
96.19492	0.2
97.02866	1.2
99.04432	0.7
105.03399	0.2
109.02876	2.6
111.04429	2.5
121.02850	100.0
122.03188	1.5
127.03899	1.3
139.03879	9.3
145.05005	0.2
248.58638	0.2
253.94905	0.2
255.94009	0.2
265.07010	3.8
283.08041	2.3
290.70242	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28677	0.1
53.00316	0.2
53.03942	1.2
54.63144	0.2
55.01851	0.4
55.05495	0.2
57.03433	1.1
61.02905	0.5
65.03928	1.7
67.05482	0.4
69.03419	4.7
69.07049	0.6
70.06600	0.2
70.07388	0.2
70.77877	0.3
71.01337	0.4
71.04968	0.7
72.51495	0.1
73.02901	0.3
79.05463	0.4
81.03406	8.9
81.07044	0.5
83.08593	0.2
85.02892	5.4
86.03287	0.1
87.04451	0.2
91.05447	0.5
92.05788	0.2
93.07026	0.3
95.04953	5.0
95.08588	0.3
97.02868	2.2
97.06504	0.7
98.06833	0.4
99.04436	1.0
105.07024	0.2
107.08569	0.3
109.02120	0.2
109.02863	4.1
109.10146	0.2
111.04423	2.4
111.08036	0.2
115.62651	0.1
117.06982	0.2
119.04972	0.2
119.08555	0.3
121.02847	100.0
121.10106	0.3
122.03178	1.5
123.08013	0.2
123.11716	0.3
125.09588	0.2
127.03905	2.0
127.05358	0.1
132.23701	0.1
137.05968	0.7
137.53194	0.2
138.06303	0.7
139.03882	8.7
145.05009	0.4
145.10088	0.3
147.04388	0.4
149.05948	0.2
177.05437	0.4
205.05070	0.1
234.12102	0.9
251.09264	0.3
265.07037	6.8
265.16360	0.5
266.07294	0.2
266.14725	0.7
283.07880	1.9
283.11661	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81007	0.2
52.98129	0.2
53.03935	0.9
55.01859	0.4
57.03415	0.7
61.02906	0.2
65.03925	2.2
69.03418	4.9
69.97234	0.9
70.06572	0.6
71.01346	0.3
71.04984	0.5
73.02872	0.3
81.03403	6.9
83.77100	0.2
85.02885	4.9
95.04951	5.4
97.02882	1.1
99.04440	0.6
105.03374	0.4
105.04521	0.2
109.02860	3.0
111.04417	2.2
112.07574	0.4
121.02847	100.0
122.03175	1.7
127.03925	1.1
139.03876	9.0
140.07016	0.2
145.04903	0.2
265.06985	4.9
283.08041	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	283.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.7
53.40659	0.2
55.01859	0.4
57.03413	0.9
64.09370	0.2
65.03928	1.6
68.99780	0.2
69.03075	0.3
69.03420	4.2
70.97375	0.6
71.01315	0.3
71.04971	0.5
71.82320	0.2
77.73945	0.2
80.87136	0.2
81.03405	6.1
83.01347	0.2
85.02888	5.4
95.04957	4.9
97.02878	1.7
99.04438	0.7
109.02859	3.1
111.04417	2.1
121.02847	100.0
122.03149	2.0
127.03883	1.4
139.03876	9.5
174.73924	0.2
265.07034	4.4
266.87277	0.2
271.35144	0.2
283.08020	1.9
299.77347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01847	0.5
55.05497	0.3
56.05021	0.2
56.96542	0.4
57.03422	1.1
61.02916	1.5
69.03080	0.2
69.03418	3.3
70.06548	0.2
71.04977	0.5
71.36065	0.3
73.02902	1.4
79.05477	0.4
81.03384	1.2
83.04971	0.2
84.07632	0.2
84.08129	4.7
85.02885	5.5
85.06490	0.3
86.03215	0.3
87.04440	0.6
89.00740	0.2
91.03918	0.5
91.05466	0.3
95.04935	0.5
97.02875	2.5
98.97567	3.1
99.04438	0.4
101.00851	0.4
102.01524	0.3
103.05480	0.2
103.07565	0.3
104.01228	0.2
105.02084	0.2
107.01778	0.5
107.04919	0.2
107.31824	0.2
109.02850	0.5
111.02029	0.5
111.04408	0.5
112.03676	0.2
116.98605	1.1
117.02110	0.2
119.01838	1.5
120.01804	0.3
120.02645	0.9
121.01576	0.3
121.01929	0.3
121.02847	4.8
121.06443	0.3
127.03910	2.3
128.02272	0.5
128.98590	0.3
129.03064	2.5
130.23668	0.2
131.00168	0.2
131.01831	0.4
131.08539	0.3
134.99638	0.5
135.04390	0.4
136.06128	0.5
137.02911	0.3
138.03571	0.5
138.05450	0.3
139.03871	0.5
140.02283	0.3
141.03026	0.5
143.00146	0.2
143.01869	0.2
143.08545	1.4
145.04913	1.1
146.03429	0.2
146.99658	0.5
147.03131	0.4
147.04353	0.4
149.01161	0.5
150.03586	0.5
150.07719	5.1
153.03079	0.3
156.03558	1.5
157.03452	0.9
158.03523	0.3
158.99628	0.5
159.07970	0.7
160.05159	0.8
160.11168	0.9
161.01183	0.5
161.02895	0.5
161.05946	1.5
162.03581	0.8
162.05452	0.8
163.02594	0.2
163.03868	0.4
164.07057	2.7
165.04112	0.2
167.02197	0.3
171.04149	0.5
171.08031	1.2
173.01184	0.2
174.06642	0.2
174.98549	0.3
175.04480	0.4
176.07043	0.5
177.00658	0.7
177.07811	17.6
177.09058	0.6
178.08504	0.3
179.02222	0.5
183.04175	0.5
184.05789	0.3
185.02998	0.3
188.10651	1.7
189.09062	0.9
191.02266	0.2
191.03795	0.3
192.04616	6.7
192.54794	0.5
194.07050	0.3
194.57175	0.4
195.06992	0.3
197.03238	0.4
201.05159	7.9
201.06700	0.5
201.55354	0.4
202.05936	0.4
204.10214	0.5
206.11720	100.0
207.12131	1.3
210.05659	0.3
212.55998	0.4
216.99579	0.2
221.03239	0.4
221.05225	0.2
223.06581	0.8
224.06764	0.8
225.06442	0.5
239.04321	3.9
240.04753	0.4
241.07683	0.2
257.05466	0.9
264.06177	0.3
264.15894	1.9
265.07486	0.6
281.05402	2.4
282.05219	0.3
282.07858	0.5
282.12143	0.4
282.16974	3.6
283.08438	0.3
293.05444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
53.35915	1.0
55.01855	2.4
57.03416	4.6
57.07052	1.3
58.99048	0.8
61.02917	10.3
67.05490	2.1
68.29903	0.9
69.03075	1.5
69.03417	17.0
70.97024	2.1
71.04965	2.8
73.02895	3.9
81.03389	8.0
85.02892	100.0
85.06529	21.8
85.07016	0.5
87.04445	3.1
91.03957	7.7
93.06995	1.3
97.02269	1.5
97.02873	21.2
99.04435	4.4
102.09122	1.3
103.03927	1.5
103.07575	2.1
109.02850	8.5
115.03884	2.0
121.02832	3.2
121.06487	1.5
127.03897	24.4
145.04932	55.4
150.07730	2.2
155.84775	0.9
163.06001	22.8
177.07745	1.2
180.08583	1.2
206.11728	7.8
229.10658	10.4
270.13507	0.9
282.13602	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01857	1.3
55.05493	0.8
57.02109	0.4
57.03427	3.6
59.04949	0.4
61.02915	2.4
62.03769	0.5
65.03925	1.8
67.05491	1.7
69.03410	3.9
69.07060	11.7
69.60676	0.9
69.61081	2.2
71.04983	1.6
79.05484	6.2
81.03412	8.7
81.07027	1.2
83.08594	0.6
85.02898	5.7
85.06526	1.1
87.41746	0.4
91.05474	5.5
93.06998	0.5
95.04961	5.7
97.02891	2.1
97.06522	28.5
99.04455	1.1
107.04958	1.3
109.02885	4.8
109.06494	0.6
111.04440	2.2
111.08067	1.3
119.04947	4.6
121.02856	100.0
123.04418	0.8
124.55823	0.4
127.03888	1.6
129.09113	4.9
133.06494	0.8
135.04398	1.3
135.08081	0.4
137.05966	38.8
139.03888	9.3
145.04973	0.6
147.04411	3.4
148.05180	0.9
161.05910	0.5
163.07547	0.6
164.07045	1.6
177.09109	4.4
189.09094	7.1
206.11740	4.3
215.10681	1.8
233.11699	24.7
247.13257	3.8
250.14479	1.2
264.15930	19.5
265.07086	6.3
265.14304	18.4
266.14673	0.7
283.08231	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05499	2.8
57.07058	0.6
59.64339	0.2
67.05489	3.9
69.06775	0.3
69.07056	3.0
71.01463	0.7
79.05473	3.1
81.07042	11.3
83.04974	0.3
83.08610	1.8
91.05463	5.1
93.06466	0.4
93.07027	6.2
95.04922	0.4
95.08590	6.7
97.10118	0.9
105.07011	8.1
107.08578	5.3
109.10137	4.2
111.11678	0.3
116.06249	0.5
117.06998	2.9
119.07774	0.5
119.08562	5.1
121.10108	3.8
123.11697	1.5
128.06219	0.9
129.06976	4.0
130.07790	0.5
131.08543	6.8
133.10106	5.3
135.11659	2.5
137.13197	0.5
141.06950	1.2
142.07761	4.7
143.08531	6.8
144.09303	0.6
145.10091	7.1
147.11659	5.3
148.12155	0.3
149.13231	3.0
151.02806	0.3
155.08528	4.7
156.09279	1.2
157.10103	27.1
158.10606	0.4
159.10437	0.6
159.11671	8.1
161.13235	2.4
163.14790	1.2
167.08600	0.5
168.09346	0.9
169.10109	5.9
170.10791	0.9
171.11655	7.5
173.13243	4.5
175.14786	1.2
177.16339	0.6
181.10075	1.3
182.10880	1.5
183.11653	8.1
184.12328	0.8
185.13229	7.8
187.14815	3.1
189.16342	0.3
195.11673	1.4
196.12411	2.6
197.13222	8.0
198.13994	2.2
199.14784	8.8
200.15359	0.3
201.16307	1.3
207.03036	0.2
209.13239	0.7
210.13913	0.9
211.14780	15.0
212.15405	1.1
213.16336	4.5
215.17810	0.3
221.06770	0.3
223.14796	0.9
224.15565	0.5
225.16342	9.5
226.16997	0.9
227.17815	0.5
237.16316	1.4
238.17143	1.0
239.17902	6.4
251.17903	0.6
252.18735	1.0
253.19418	2.0
265.25928	0.3
266.20261	0.7
281.22589	100.0
282.22916	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02366	1.9
53.03948	6.4
55.01850	3.7
55.05502	35.8
57.03427	27.3
61.40008	1.3
65.03921	2.8
67.05494	81.2
69.03411	1.5
69.07051	16.9
71.04987	3.2
71.31763	1.6
71.32114	2.1
73.06532	3.3
77.90205	1.2
79.05482	100.0
79.96938	1.3
81.03406	16.3
81.07045	62.3
83.04967	40.2
83.08612	10.6
85.06530	3.5
91.05466	72.3
93.07029	81.1
95.04958	29.7
95.08587	43.4
97.02872	1.7
97.06506	5.4
97.10169	6.3
99.04356	1.4
103.05463	1.8
105.04480	2.2
105.07010	52.7
107.04957	11.8
107.08582	25.7
109.06506	11.0
109.10130	6.4
111.08057	2.4
115.05473	1.8
117.06997	10.0
119.08560	31.7
121.06509	4.2
121.10115	6.0
123.08030	11.0
127.07559	2.5
128.06221	2.8
129.06984	20.9
131.08560	4.4
133.06497	2.2
133.10114	17.6
135.11661	4.1
143.08522	10.5
145.10100	12.7
147.07980	4.2
147.11665	49.3
151.14987	1.4
156.09311	1.5
159.11658	2.5
161.09569	6.3
161.13217	19.3
163.11092	1.8
171.11664	36.4
179.14328	1.8
188.76640	1.4
189.12718	14.3
207.13776	21.8
281.17441	92.6
282.17834	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.61815	1.5
53.03933	7.1
55.01848	5.1
55.05503	38.3
56.61218	1.3
57.03428	30.4
65.03923	4.3
67.05495	91.9
69.03412	2.7
69.07059	18.9
70.18407	3.9
70.18810	2.9
71.04977	2.5
73.06530	3.7
77.03851	1.4
79.05482	100.0
81.03413	15.9
81.07047	71.8
83.04971	42.8
83.08604	10.1
85.06517	3.8
91.05468	75.5
93.07032	79.7
95.04955	31.0
95.08597	46.3
97.02858	1.8
97.06528	6.8
97.10155	6.3
99.08067	2.2
103.05476	2.2
105.07017	50.3
107.04935	11.5
107.08577	28.5
109.06501	9.1
109.10143	8.5
111.08054	2.2
117.07012	9.8
119.08566	35.9
121.06483	5.7
121.10133	6.3
123.08083	8.9
125.09713	1.5
127.07511	2.1
128.06190	3.8
129.06978	24.1
129.24507	1.2
131.08537	3.2
133.06470	2.1
133.10097	16.2
135.11685	4.1
135.45354	1.3
143.08531	10.3
145.10109	13.3
147.08023	2.7
147.11662	46.7
157.10100	2.0
159.11699	1.6
161.09601	5.5
161.13219	22.8
171.11652	35.7
179.14305	1.8
185.13289	2.2
189.12698	15.4
207.13773	26.8
243.96259	1.3
281.17447	90.2
281.22174	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	281.1742
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03932	6.8
55.01852	4.6
55.05504	35.9
55.65028	1.3
57.03183	1.9
57.03432	31.4
57.07057	2.1
65.03922	5.0
67.05498	90.5
69.03419	2.8
69.07063	17.0
69.87649	1.4
71.01783	3.1
71.04979	5.2
73.06538	2.4
75.99085	1.4
79.05486	100.0
81.03411	16.3
81.07051	65.5
83.04970	31.7
83.08167	1.9
83.08607	12.0
84.08113	1.4
85.02897	2.0
85.06513	4.3
87.04427	1.5
91.04894	2.0
91.05471	69.7
93.07034	78.8
95.04958	34.5
95.08600	43.2
97.02874	1.6
97.06499	6.4
97.10152	6.7
98.97555	3.5
99.04429	1.7
99.08105	1.9
105.07021	54.0
107.04958	8.7
107.08591	27.1
109.06519	11.5
109.10146	10.0
111.08050	2.5
111.86125	1.5
115.05400	1.9
116.98584	1.9
117.07001	13.4
119.08564	35.1
121.06465	4.6
121.10134	9.2
123.08059	10.0
123.11727	1.8
125.09591	2.3
127.07504	4.1
128.06145	2.8
129.06999	20.3
131.08549	5.2
131.60815	1.6
133.10100	18.1
135.08020	2.4
135.11687	3.7
139.63603	1.7
141.06979	2.1
141.09007	2.2
143.08540	12.9
145.10085	14.9
147.08028	4.8
147.11678	48.1
149.02287	3.3
150.02628	3.0
151.02855	4.1
156.09340	2.4
157.10098	4.0
159.11632	3.1
161.09633	7.2
161.13220	19.1
169.10162	2.3
171.11670	37.7
178.75493	1.4
179.14244	1.9
187.14803	2.4
189.12727	16.2
207.13765	20.6
211.14760	2.1
239.04420	2.9
239.17882	2.1
249.81812	1.4
263.16400	1.8
281.05225	2.6
281.17432	85.4
281.22272	16.0
282.17737	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13521	2.6
55.23894	3.0
65.90582	3.0
68.00279	2.9
71.47073	6.5
72.45077	2.8
279.04761	100.0
279.07709	6.3
295.66312	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	279.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60738	0.2
55.05516	0.2
57.07064	1.4
65.03926	0.4
67.05485	0.2
69.07043	0.3
70.98479	0.3
81.07024	0.5
84.08129	0.3
85.02834	0.2
85.24580	0.2
91.05465	4.6
93.07025	0.2
95.08588	0.3
96.82920	0.2
97.64925	0.1
105.06996	0.2
106.85208	0.2
107.08575	0.4
109.06471	0.2
109.10156	0.3
110.07172	0.2
119.04922	16.7
119.08536	0.2
121.02859	0.4
123.08031	0.2
131.08508	0.3
133.10201	0.2
137.84602	0.2
145.10109	0.2
147.04385	100.0
148.04727	0.8
149.02318	11.8
167.03287	0.2
169.10146	0.2
173.13266	0.2
179.60539	0.2
183.11552	0.2
195.11679	0.2
205.08624	0.2
223.14885	0.2
279.08597	3.6
279.20901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.6
55.05490	0.7
56.96283	0.9
56.96551	11.6
57.03418	2.7
57.33198	0.6
61.02920	3.0
62.03257	0.6
67.05479	1.1
69.03421	6.8
70.06566	1.3
71.04960	0.8
71.31204	1.0
71.31551	0.8
71.95276	0.6
72.08143	1.7
73.02906	3.3
74.97634	0.9
77.00902	1.0
79.05456	0.9
81.03404	2.3
81.04544	1.0
83.04956	0.6
83.06086	1.0
84.04511	0.8
84.08128	5.1
85.02883	9.7
85.08474	1.1
86.03210	0.6
86.09695	1.1
87.04477	0.8
89.03948	0.7
91.05466	1.1
95.04925	0.7
95.29147	0.5
97.02867	5.9
97.87247	0.6
98.03172	0.7
98.97564	100.0
99.04430	1.1
100.02458	1.2
100.99120	0.7
101.00864	1.7
103.00594	0.8
105.00357	0.7
107.04916	0.9
109.02864	1.8
110.07133	7.5
110.97525	0.9
111.02898	0.7
111.07443	1.0
112.99067	1.3
113.03477	1.5
116.98601	53.8
118.03497	0.9
118.08631	1.0
119.00174	1.4
119.01905	7.6
120.01944	0.9
120.08035	0.8
121.01657	1.8
121.06492	1.4
122.07151	1.9
123.04401	0.9
123.07896	1.4
124.99110	2.0
127.03914	3.5
128.98558	1.2
131.00142	4.5
131.01874	2.3
132.04991	0.8
133.03455	1.3
134.03558	0.7
134.06003	0.9
134.99634	20.5
135.00648	1.3
135.03175	1.8
135.04367	1.2
136.06158	1.2
136.07545	1.8
137.02908	0.9
137.05965	1.2
140.00172	2.0
143.00128	11.0
143.01900	1.7
145.01691	0.8
145.03459	1.3
145.04958	1.7
146.99643	2.6
147.03152	1.1
149.01195	13.9
150.07718	2.8
151.02728	0.8
152.07066	0.7
153.00681	1.6
155.00128	2.1
155.01863	0.8
157.03505	4.3
158.01366	1.1
158.99626	8.2
159.03171	1.1
159.04999	0.8
161.01198	17.8
161.02902	3.8
161.55624	1.7
162.04095	0.7
162.05389	0.7
163.03952	2.1
165.00764	0.7
167.02266	6.3
169.05060	0.7
170.56093	1.0
173.01186	8.5
173.02789	1.6
175.00841	1.4
175.04469	2.7
176.04651	0.7
177.00688	11.3
177.02165	1.3
178.05855	0.7
178.54562	0.7
179.02248	13.3
182.02788	0.7
184.05901	0.7
184.55840	1.4
185.01219	0.6
185.02986	1.1
185.05638	0.8
187.54951	0.7
189.02422	1.2
191.02249	8.5
191.03860	1.2
193.01891	1.0
195.01768	1.1
197.03299	9.9
198.02458	1.9
203.02231	0.6
203.03984	1.1
203.07951	0.8
205.05501	1.7
205.10530	0.7
206.11722	1.8
209.03308	1.1
212.03984	0.9
216.00478	1.7
219.01921	0.8
221.03241	9.2
221.05035	1.0
223.06618	6.6
224.06728	0.8
225.06422	0.9
226.01895	2.0
230.05026	1.6
231.12506	0.6
232.04767	0.6
233.01431	0.9
234.01514	3.4
235.01181	1.1
236.62175	0.9
239.04333	80.7
240.04774	0.7
241.07608	3.1
245.05051	0.9
248.62766	0.7
253.02209	3.2
253.05707	0.7
256.97620	1.3
257.05389	22.1
258.02698	2.3
258.04883	1.1
258.99765	1.1
262.05948	3.4
263.06036	1.4
263.60870	1.0
266.63928	0.7
267.00131	0.8
272.12253	2.2
276.03317	2.1
277.00769	2.0
280.63535	3.6
281.05371	59.4
281.10519	7.1
281.14661	1.6
281.18372	1.1
293.07004	0.7
298.98688	0.7
299.06482	4.1
299.09576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
52.94981	1.3
53.03927	5.3
55.01878	1.3
55.05502	19.1
57.07055	3.2
58.27099	1.4
59.25787	1.3
67.05168	2.4
67.05498	35.5
69.07057	13.0
69.28164	10.4
69.28574	3.4
71.04969	2.1
76.04875	1.2
79.05483	67.6
81.07052	32.2
83.04971	1.3
83.08611	7.8
84.03658	1.2
85.06518	1.6
90.30713	1.4
91.05468	24.2
93.07032	100.0
95.04955	7.8
95.08596	24.0
97.06481	2.3
97.10155	3.5
101.05933	1.7
105.07021	13.9
107.08579	47.7
109.06488	3.0
109.10138	12.7
111.73249	1.4
114.01318	1.3
116.18529	1.2
117.06985	3.4
119.08551	10.0
121.10130	44.8
122.10406	1.4
123.08004	1.8
123.11686	3.8
127.73419	1.2
129.06932	1.5
131.08517	4.2
133.10133	14.3
135.07997	1.4
135.11671	52.9
137.15794	1.3
139.11230	1.6
143.08554	1.9
145.10112	4.5
147.11673	7.7
149.09537	1.2
149.13251	19.8
157.10121	1.9
159.11606	3.5
161.13188	4.2
163.14754	6.5
164.73235	1.3
167.10657	1.8
171.11746	3.2
173.13234	1.9
175.11200	2.4
185.13258	2.0
193.12100	2.3
196.07671	1.3
199.14774	1.8
203.14282	1.3
207.13820	1.4
213.16406	1.6
217.15921	1.4
221.15294	3.5
231.17519	1.5
235.16904	4.2
241.19299	1.8
259.20563	5.3
265.22635	1.3
277.21597	85.1
278.21994	2.3
287.95309	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84964	5.5
63.02299	5.9
65.73017	5.4
70.55080	15.4
92.44873	6.5
97.02861	7.3
101.00867	12.3
104.97064	7.0
119.01933	34.1
133.03462	8.4
145.03461	12.1
157.03477	17.8
161.03000	8.4
185.55487	6.9
205.05510	7.7
223.06609	29.2
223.59132	6.1
241.07761	8.7
277.03210	100.0
277.07498	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62447	0.9
53.03942	4.7
55.01846	1.3
55.05500	17.8
57.07051	4.3
59.04997	1.2
65.03915	1.7
66.89822	0.9
67.05494	35.9
69.07053	16.4
69.51716	7.9
70.91460	0.9
71.04966	2.4
71.08610	1.8
77.03879	1.0
77.47996	0.9
79.05480	69.9
80.05801	1.0
81.07041	35.5
82.92178	0.9
83.04969	2.9
83.08624	7.6
85.06538	2.1
91.05470	27.2
93.07027	100.0
95.04950	7.4
95.08596	27.2
95.09208	0.8
97.06505	3.5
97.10139	3.5
99.08072	1.4
102.86224	1.0
102.86927	0.9
105.04486	1.6
105.07016	14.7
107.08578	51.8
109.06505	3.2
109.10137	15.3
117.06995	3.8
119.08566	12.6
121.10121	45.4
121.11016	2.3
123.08092	1.6
123.11658	4.5
129.06915	2.1
131.08510	3.7
133.09209	1.5
133.10104	14.1
135.08032	1.3
135.11668	65.6
137.09554	1.3
139.11159	1.0
143.08517	1.9
145.10077	4.6
147.11668	8.4
149.09593	1.8
149.13239	24.4
157.10118	3.4
159.11673	4.1
159.63452	1.0
161.09602	1.7
161.13249	4.2
163.11171	2.1
163.14790	6.6
171.11690	2.8
173.13239	3.7
175.11169	1.8
175.14757	2.6
179.10538	1.2
179.14098	1.3
181.12219	1.7
185.13243	2.5
187.14902	1.1
189.12660	1.2
189.16167	1.0
193.12253	1.3
195.13773	2.5
199.14847	1.5
203.14391	1.3
207.13843	1.6
213.16342	2.5
221.15320	3.0
231.17410	2.1
235.16872	5.0
241.19424	2.0
259.20636	4.9
277.21588	95.8
278.22061	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2157
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02375	0.9
52.63009	0.6
52.75579	0.7
53.03937	4.0
55.01856	1.2
55.05502	17.4
57.07062	3.4
64.54291	0.6
65.03934	1.2
67.05492	32.7
69.07053	16.3
70.14156	2.3
70.14573	1.5
71.04973	2.3
79.05476	70.0
81.07041	34.3
83.04971	1.4
83.08606	7.7
85.06520	1.5
91.05464	26.0
93.07025	100.0
95.04955	5.4
95.08588	22.9
97.06502	2.0
97.10158	4.0
99.08064	0.9
105.04469	1.7
105.07007	12.4
107.08572	47.8
109.06515	2.9
109.09443	1.1
109.10146	13.8
111.08047	1.8
117.06991	3.6
119.08557	9.6
121.06480	1.1
121.10119	43.4
123.08028	1.2
123.11674	3.1
125.09584	0.9
129.07028	1.3
131.08554	3.9
133.10106	13.5
135.11664	58.7
136.12044	0.9
137.09569	1.2
139.11096	1.0
143.08533	2.2
145.10088	2.9
147.11653	7.0
149.09618	2.2
149.12027	1.0
149.13226	20.9
151.11143	1.3
153.09064	0.7
157.10077	1.7
159.11690	3.4
161.13226	4.3
163.11118	1.9
163.14807	7.1
171.11700	3.2
173.13211	2.3
175.11180	1.2
175.14807	3.3
177.12735	1.0
177.16444	0.9
179.10611	1.1
181.12189	1.4
185.13240	2.4
189.12688	1.2
195.13737	1.8
199.14804	2.2
207.13774	1.4
213.16327	2.2
221.15323	2.5
231.17357	1.3
235.16901	5.1
241.19441	2.2
253.58202	0.7
259.20572	5.3
277.21573	98.0
278.21982	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03927	1.6
55.01859	5.3
55.05499	17.7
57.03412	1.9
65.03922	1.2
67.05490	23.0
69.03409	1.6
69.07043	7.1
69.50008	1.3
69.50415	3.6
71.04958	2.0
79.05477	33.5
81.07041	15.8
83.04952	1.9
83.08604	5.2
85.06503	1.0
91.05463	23.1
93.06463	1.1
93.07027	20.0
95.04967	3.1
95.08586	9.6
97.06525	4.2
97.10157	4.1
103.05478	1.0
105.07008	33.0
106.07346	1.1
107.04936	21.5
107.08574	23.9
108.08897	0.8
109.06487	1.8
109.10142	13.3
111.08068	1.7
115.05385	1.0
116.06232	0.7
117.07003	9.1
119.08550	23.6
121.06467	2.5
121.10123	10.8
123.08013	1.0
123.11666	2.5
125.09609	4.6
129.07001	1.3
131.08533	10.9
133.10106	21.2
135.08037	4.5
135.11670	2.9
137.09604	1.0
141.99207	0.6
143.08534	1.6
145.10075	11.8
147.08000	1.2
147.11655	15.5
149.09592	46.7
150.09914	1.0
151.11130	0.7
153.09076	2.1
155.10591	0.6
157.10083	1.7
159.11671	7.6
161.13254	3.9
163.11160	1.9
165.09042	1.0
167.10664	1.0
169.10106	1.6
169.12228	2.2
171.11647	2.3
173.11674	2.5
173.13226	4.5
175.14711	0.6
177.12711	0.9
179.10645	1.1
183.11629	1.0
185.13196	0.7
187.11172	1.1
187.13268	1.8
187.14758	1.4
189.12802	0.8
197.13156	1.1
201.12721	1.1
211.14830	1.0
215.14352	0.9
215.17905	1.5
219.13771	0.8
221.96347	0.7
229.19463	9.1
233.15379	1.2
239.17885	2.8
247.20567	2.8
257.18958	16.8
258.19342	0.9
275.20007	100.0
276.20349	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	277.0316
Annotation	selenoneine
Peak:m/z	Relative Intensity
63.69339	6.0
69.33112	70.7
80.18471	5.8
85.02926	7.9
85.59843	6.3
86.80923	6.1
87.92101	5.9
96.16292	5.9
98.21432	13.3
108.56438	6.8
114.40685	5.8
116.94846	6.6
119.01899	12.7
127.31151	6.0
133.03342	6.3
161.02982	14.8
277.03165	100.0
277.06982	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	275.2
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72814	0.7
53.03941	1.2
55.01844	2.8
55.05499	10.6
57.03410	2.2
57.07048	2.9
61.68220	0.9
62.16626	0.7
65.03908	1.0
67.05490	17.2
69.03390	1.2
69.07052	10.5
69.70773	0.7
70.06557	3.3
71.04977	5.2
71.06904	0.9
71.08630	1.0
79.05051	1.2
79.05479	18.0
81.03353	1.1
81.07043	24.1
83.04956	2.9
83.08597	4.0
85.06515	3.6
88.07622	5.0
89.07913	1.2
91.05465	28.3
93.07016	19.6
94.69108	0.8
95.04944	4.2
95.08585	12.7
97.06499	2.4
97.10115	1.7
98.21487	2.4
103.05435	1.6
103.29732	0.9
105.07010	40.0
106.08661	2.4
107.04933	4.5
107.08547	14.3
109.06497	8.9
109.10141	6.9
111.08063	4.3
117.06995	7.0
119.08562	32.5
121.06480	3.7
121.10124	12.0
123.08073	6.1
123.11640	2.9
125.09558	1.2
127.79842	0.8
129.06978	3.6
130.07787	1.1
131.08534	15.3
133.10107	30.6
135.08035	9.1
135.11652	5.5
137.09610	5.3
141.06982	1.2
142.07770	1.0
143.08533	5.8
144.09302	1.0
145.10094	14.9
147.08005	1.0
147.11652	17.3
149.09589	7.1
149.13174	1.4
151.11176	2.1
155.08505	1.9
157.10074	6.8
158.10869	1.7
159.11656	13.4
161.09579	2.1
161.13242	4.7
163.11131	3.9
163.14804	1.0
165.12720	0.9
169.10092	2.4
171.11678	5.3
173.09685	0.8
173.13243	13.4
174.13820	1.6
175.11143	3.6
175.14767	2.6
177.12709	3.3
180.31010	0.7
183.11638	5.3
185.13193	3.1
187.11119	1.4
187.14822	3.4
189.12807	1.9
191.14233	2.5
193.12213	1.1
197.13190	3.4
199.14787	5.8
201.12704	3.1
201.16345	1.6
203.14262	1.8
211.14796	2.1
213.16335	2.1
214.25313	0.9
215.17967	1.7
219.13632	0.9
219.17284	0.9
229.19481	2.9
239.17934	6.6
247.20561	3.0
257.18948	14.1
257.26678	2.8
275.20010	100.0
275.27695	45.2
276.20340	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2001
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.19437	0.7
53.03931	1.6
55.01868	11.0
55.05506	11.8
57.03412	2.2
57.07060	1.6
67.05491	17.7
67.78645	0.7
69.03388	0.9
69.07055	14.6
69.32599	7.5
71.04980	1.9
79.05057	1.4
79.05482	19.2
80.92966	0.8
81.03407	2.2
81.07045	32.1
83.04952	3.2
83.08622	5.7
85.06493	1.4
91.05466	40.3
93.07029	19.3
95.01281	2.7
95.04968	4.7
95.08588	12.4
97.06514	14.7
97.10149	3.0
102.18813	0.7
103.05473	1.2
105.07015	70.8
106.07259	0.7
107.04945	7.5
107.08584	13.0
109.06488	3.5
109.10155	6.1
111.08115	1.0
117.06215	1.1
117.06996	9.0
119.08566	31.1
121.06464	1.6
121.10117	6.4
123.08060	1.8
123.11658	2.2
125.09613	1.6
129.06981	2.1
129.98964	0.8
131.08556	14.9
133.06477	0.9
133.10110	41.0
135.08009	2.7
135.11662	3.8
137.09578	1.6
139.07475	1.0
141.06967	1.0
143.08549	2.4
145.10101	11.4
147.11662	17.5
149.09579	6.2
149.13188	1.9
151.11098	1.3
155.08549	0.9
157.10117	2.3
159.11682	7.8
161.13274	4.3
163.11150	2.3
165.09058	2.4
169.10034	1.2
171.11642	2.5
173.13239	3.3
177.12729	1.2
179.14264	2.2
183.11591	2.0
187.11174	0.9
191.14363	0.8
197.13266	1.4
199.14813	1.0
201.12720	1.2
219.17395	3.2
229.19482	2.2
239.17850	1.7
247.16742	1.0
247.20450	2.3
257.19025	8.0
275.04947	1.6
275.20023	100.0
275.27722	6.6
276.20282	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03928	1.1
54.33337	0.8
55.01834	1.1
55.05505	10.2
56.45845	0.7
57.03411	2.7
57.07050	3.3
58.07375	1.4
65.03903	1.1
67.05499	16.6
69.03403	1.6
69.07056	8.5
69.96783	2.1
69.97178	1.9
70.06586	4.0
71.04975	5.8
71.06928	1.1
79.05485	16.8
81.07046	22.8
83.04979	3.9
83.08617	4.7
85.06544	4.1
88.07630	4.9
89.07925	1.3
91.05470	29.0
93.07025	16.2
95.04955	4.4
95.08590	14.1
97.06503	3.0
97.10147	2.0
99.08062	1.1
102.09162	1.4
103.05447	1.7
105.07014	37.4
106.08646	3.0
107.04928	3.6
107.08552	16.2
109.06498	8.2
109.10153	6.3
111.08079	5.4
115.05459	0.9
117.06997	8.9
119.08564	30.5
121.06467	2.8
121.10119	11.8
123.08022	4.6
123.11687	2.4
125.09602	0.9
129.06999	2.0
130.07777	0.9
131.08553	14.4
133.10109	32.3
135.08020	7.8
135.11682	5.2
137.09642	4.7
141.06999	0.9
142.07742	2.4
143.08617	4.2
145.10112	14.6
147.08025	1.3
147.11681	15.8
149.09622	5.9
149.13203	1.6
151.11185	2.2
155.08519	1.6
156.09320	1.7
157.10121	7.5
158.10904	2.0
159.08002	1.2
159.11674	16.0
161.09567	1.6
161.13220	4.8
163.11183	4.0
163.14738	1.0
165.52165	0.9
169.10086	2.8
171.11647	4.5
173.09526	1.9
173.13252	15.4
174.14043	1.4
175.11150	3.0
175.14764	2.0
177.12740	3.6
181.10004	0.7
183.11659	4.1
184.87485	0.9
185.13240	2.4
187.11113	2.3
187.14796	2.7
189.12677	1.4
191.14316	3.1
193.12135	1.4
197.13234	3.8
199.14745	3.4
201.12756	3.2
201.16376	1.2
203.14258	2.3
209.13171	0.9
211.14711	1.3
213.16328	2.6
215.17761	1.1
217.15907	1.2
219.17613	1.0
229.19518	3.4
239.17941	5.3
247.20552	1.9
257.18942	12.5
257.26620	3.7
275.20026	100.0
275.27710	51.3
276.20370	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	275.0909
Annotation	Corymbiferan lactone D
Peak:m/z	Relative Intensity
53.03923	0.8
55.01861	7.9
55.05502	1.1
57.03412	0.9
61.02891	0.8
66.04664	0.7
67.05499	1.9
68.99786	1.9
69.03413	3.1
69.07071	1.4
70.06582	4.2
71.04972	1.2
71.60593	0.7
71.61047	1.1
72.08134	3.0
73.02907	2.3
79.05477	1.1
81.03381	2.0
83.04967	1.2
85.02894	7.1
86.09692	2.2
87.10047	0.8
90.94830	0.8
91.05450	5.6
93.07034	0.7
95.04943	1.5
95.06072	13.7
97.02862	2.5
97.03481	0.9
98.97566	1.2
99.04453	0.8
103.05438	3.2
104.06225	1.0
105.07029	2.1
107.04910	1.6
109.02870	1.1
113.05967	2.3
113.07107	17.4
114.05505	2.0
115.05431	18.4
116.01781	0.8
116.06223	3.3
116.06983	0.9
117.06997	4.5
118.04124	2.4
119.01924	2.8
119.04916	1.8
119.08550	1.2
123.04420	0.9
123.07993	1.1
125.78481	1.0
127.03896	2.3
127.05459	1.1
128.06201	5.4
128.07043	1.0
129.03346	2.9
129.06981	9.9
130.04147	1.2
130.07751	2.4
131.04912	6.8
131.08559	4.4
132.05684	5.0
133.06447	1.6
136.07553	3.4
137.02928	1.0
137.05923	1.7
139.03874	1.0
139.05415	2.0
140.06197	2.4
141.06972	44.6
143.04919	8.6
144.05672	10.7
145.03505	1.0
145.06464	11.4
145.10007	0.9
146.03595	8.5
147.04391	3.1
147.08005	1.9
148.05138	1.1
149.05968	1.2
153.05399	1.2
153.06979	3.6
155.04872	5.2
155.05977	1.7
155.08543	2.2
156.05653	1.8
157.02841	9.7
157.06447	15.9
158.07242	10.5
159.04443	3.5
159.08002	10.1
160.05138	8.2
161.05945	17.9
162.03067	1.0
165.05626	1.0
165.06973	3.0
168.05669	9.3
169.06454	40.7
170.03603	1.3
170.07230	1.6
171.04359	15.0
171.08104	1.4
172.05180	6.4
173.05960	10.5
173.09590	1.8
174.03084	3.5
174.96864	1.1
175.03955	2.8
175.07539	7.1
176.04652	3.6
177.05437	6.7
179.07039	2.0
181.06441	1.8
183.04378	3.1
183.07857	5.8
184.05232	1.3
185.05927	11.9
186.06737	24.8
187.03882	1.9
187.07524	16.1
188.04599	4.5
189.05437	25.3
190.06216	6.0
191.03392	1.2
191.06982	21.7
192.04204	1.6
192.07788	1.7
196.05165	5.9
197.05949	38.8
198.06705	3.7
199.03873	9.0
199.07455	1.8
200.04655	11.7
201.05403	8.2
201.07047	0.9
201.07408	1.3
201.09070	11.9
202.02490	1.2
203.03719	1.4
203.07005	15.0
204.07825	8.2
205.08530	4.4
207.04378	1.5
207.06297	1.0
211.07492	9.1
213.05412	4.3
214.06187	15.4
215.06995	41.7
216.04155	2.2
216.07642	1.1
217.04897	7.4
217.08403	1.2
218.05649	1.3
219.10101	2.2
224.04697	1.3
225.05431	6.4
226.06131	4.9
227.03447	1.4
228.04167	2.0
229.05124	5.1
229.08553	27.7
230.05763	1.8
231.06468	20.1
232.07324	6.8
233.08044	1.6
239.07053	3.7
240.12369	0.9
242.05675	11.9
242.07942	1.3
243.06493	27.1
244.07195	3.2
245.04391	16.2
245.08054	4.2
247.09612	33.7
248.10112	1.0
254.16188	1.2
257.02533	1.8
257.07986	29.7
257.11960	1.4
258.08676	1.2
259.06061	1.4
260.06757	53.1
271.59341	0.9
275.08835	100.0
276.09344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2571
Annotation	beta-Springene
Peak:m/z	Relative Intensity
55.05499	14.9
57.07056	9.6
60.13654	3.3
67.05491	22.2
69.07052	38.5
71.62594	5.3
79.05457	13.6
81.07047	83.8
83.08595	17.6
84.60490	3.7
91.05470	17.3
93.07030	42.3
95.04929	5.3
95.08591	65.5
97.10127	5.9
105.07026	23.7
105.96489	3.8
107.08579	50.0
109.10144	61.8
119.08600	18.9
121.10119	46.7
123.11679	40.3
133.10112	20.0
135.11673	30.5
137.13197	10.1
147.04375	8.9
147.11636	18.0
149.13251	47.0
151.14810	6.9
153.01805	19.3
161.13220	34.2
163.14825	24.6
175.14792	14.0
177.16364	15.4
188.71841	4.1
189.16396	20.0
190.70271	4.4
191.17937	6.3
203.17970	12.9
209.06134	4.2
217.19438	27.0
228.94606	3.9
247.60851	4.0
255.21091	7.0
268.00809	4.1
273.07471	13.8
273.22314	11.7
273.25717	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2208
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05499	4.9
57.07060	2.4
58.32838	1.1
59.04979	0.9
63.50383	0.9
67.05501	6.6
67.51739	0.9
68.23930	1.0
69.03429	1.1
69.07059	5.5
71.04633	1.1
71.04987	11.5
79.05463	4.3
81.06569	1.7
81.07045	28.6
83.08590	2.7
85.06512	3.5
91.05450	7.6
93.06477	0.9
93.07035	17.0
95.04959	2.3
95.08595	18.7
97.06476	1.6
97.10123	2.3
99.08051	1.3
105.07019	29.4
107.08575	16.9
109.06479	4.3
109.10141	11.2
111.08059	12.5
111.15586	1.0
113.09634	6.7
117.06981	3.9
119.04914	4.0
119.08567	50.9
121.09335	1.3
121.10138	21.0
123.11695	9.3
129.07016	2.0
131.08548	12.4
133.10121	11.5
135.08138	1.0
135.11697	6.5
137.09595	2.2
137.13232	1.3
142.07748	1.7
143.08556	6.1
144.09288	1.7
145.10112	19.9
147.04378	11.7
147.11647	10.1
149.09601	2.1
149.13222	4.5
151.11192	1.9
153.01808	21.8
157.10112	13.3
158.10808	1.5
159.11670	39.0
161.13229	14.4
163.11133	1.6
163.14825	4.7
171.11699	10.0
173.13245	15.5
175.14778	4.0
177.12744	8.4
179.14209	2.2
185.13255	8.3
187.14812	4.9
189.16400	5.7
199.14796	16.2
201.16351	2.0
203.14296	1.8
203.17854	2.6
213.16391	10.3
215.17926	59.6
216.18341	1.8
217.15797	4.1
227.17896	2.1
229.19455	10.7
231.17345	2.1
231.21010	1.5
255.21042	51.9
256.21274	1.5
273.07538	18.5
273.22076	100.0
274.07910	2.4
274.22415	2.7
274.27243	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04662	0.4
51.53136	0.3
55.01863	0.3
55.05505	0.7
65.03917	0.4
65.37733	0.3
67.01855	2.3
67.05485	0.4
68.99781	1.9
69.03418	1.6
69.07057	0.5
69.34357	3.2
69.34683	0.7
71.04969	0.3
73.41463	0.3
79.05483	0.4
81.07048	1.0
83.04965	0.7
83.08597	0.4
83.57977	0.3
91.05472	5.6
93.07028	1.0
95.04951	2.1
95.08582	0.4
97.02877	0.8
97.06549	0.7
98.21503	0.6
105.07031	0.8
107.04934	4.0
107.08581	0.6
111.00766	0.8
111.04385	0.4
111.08096	0.3
114.01939	0.3
117.10977	0.3
119.04930	18.4
119.08536	0.7
121.02818	0.6
121.06522	0.6
121.10145	0.7
123.04415	6.0
125.09577	0.5
127.03944	0.5
131.08572	0.4
133.10109	0.8
139.03932	0.4
145.10124	0.3
147.04391	49.2
148.04768	0.6
149.02274	0.4
149.13214	0.3
150.72461	0.3
151.03891	1.0
153.01807	100.0
154.02132	1.4
155.08571	0.3
157.06447	0.6
157.10065	0.3
159.11716	0.4
165.06961	0.3
169.66167	0.3
171.02870	4.4
179.03421	0.9
181.06439	0.4
189.05447	1.3
201.16316	0.4
219.13692	0.3
227.06789	0.4
231.06500	1.1
241.08640	0.5
255.06474	1.2
273.07535	95.1
273.18491	1.3
274.07904	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0752
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.44027	0.3
67.01861	2.4
68.99779	1.3
69.03413	1.1
71.35840	0.7
79.11828	0.3
81.72578	0.3
83.01335	0.5
91.05468	5.3
93.06104	0.3
95.04959	1.6
97.02863	0.9
97.45022	0.3
98.92220	0.4
105.07069	0.3
107.04950	2.4
111.00735	0.4
119.04927	17.0
121.02810	0.5
121.06488	0.4
123.04400	4.3
147.04387	42.1
148.04710	0.8
151.03874	1.1
153.01804	100.0
154.02170	1.3
171.02873	2.6
171.04144	0.4
179.03394	0.8
189.05444	1.0
231.06427	0.5
255.06464	0.5
273.07526	95.1
274.07849	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	273.0751
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.62389	0.4
60.27240	0.4
62.55767	0.4
67.01863	4.6
67.05486	0.4
68.99767	2.4
69.03421	1.4
80.14955	0.4
81.03380	0.5
81.07034	0.9
83.01355	0.7
91.05466	5.3
93.07027	0.6
95.04960	1.7
95.08582	0.5
97.02895	1.0
107.04942	2.2
107.08583	0.5
109.10114	0.6
111.00742	0.6
119.04930	15.0
119.08533	0.5
121.02837	0.8
121.06519	0.8
123.04410	3.9
125.02326	0.4
129.01888	0.7
133.10135	0.4
145.10101	0.5
147.04390	38.0
147.11531	0.6
148.04718	0.9
151.03893	1.0
153.01807	100.0
154.02127	1.3
159.11670	0.6
171.02866	14.4
179.03400	1.4
181.06494	0.6
182.92091	0.4
189.05547	0.7
207.06483	0.5
255.06664	0.8
255.21063	1.4
273.07532	81.4
273.22314	1.2
273.25958	1.1
274.07892	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1128
Annotation	Deidaclin
Peak:m/z	Relative Intensity
53.03940	0.6
55.01857	1.2
55.05508	0.5
56.96560	0.4
57.03435	1.6
61.02918	3.0
63.36300	0.4
65.03926	1.1
67.05487	0.5
69.03426	5.8
70.06595	1.8
70.18807	0.6
70.19221	1.3
70.96439	0.4
71.04980	1.3
72.08159	0.8
73.02911	1.3
73.06542	0.5
79.05475	0.5
81.03413	3.0
81.07050	1.0
84.04479	0.4
84.08125	0.7
85.02899	20.3
86.06051	2.9
86.09703	0.3
87.04455	0.9
91.03954	1.2
91.05469	0.9
92.04997	4.2
93.05506	0.3
94.29940	0.3
95.04968	1.0
95.06088	0.5
97.02884	5.9
98.97581	0.6
99.04448	1.4
103.03883	0.8
105.93644	0.3
106.06550	3.1
107.04928	0.5
107.08588	0.3
109.02874	2.1
109.05257	1.2
110.06036	100.0
110.07095	3.0
111.04440	1.5
111.06361	0.8
112.36951	0.3
115.03916	0.5
116.07114	0.4
116.98606	0.6
119.04926	1.1
120.04443	0.7
121.02865	1.4
122.06028	2.7
123.04401	0.6
124.03929	0.6
127.03904	3.6
128.07104	0.3
130.06531	0.3
130.84007	0.4
134.06007	6.3
134.06963	0.5
134.98447	0.3
134.99632	0.4
136.07558	0.6
140.03429	2.1
140.04509	0.3
145.04958	3.9
146.06000	1.4
147.04414	2.9
148.07516	0.4
149.05943	0.4
149.09723	0.3
150.05548	0.4
150.96883	0.3
152.07057	2.9
153.01804	5.2
153.06999	0.6
161.01248	0.5
162.05563	0.3
163.03914	0.7
164.07091	0.9
176.07021	1.8
182.05560	0.4
183.06197	0.5
190.08635	0.5
200.07217	0.3
218.08170	0.6
226.15671	0.6
229.92804	0.4
236.09224	1.7
237.02725	0.5
252.05760	0.5
254.10266	2.9
261.06134	0.5
272.06284	1.6
272.11371	3.0
272.15887	2.6
273.07568	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	273.0752
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
57.02009	0.3
65.03942	0.3
67.01858	5.2
68.99776	2.3
69.03421	0.9
79.51972	0.3
81.03405	0.5
83.01323	0.6
89.72320	0.3
91.05485	3.9
94.59688	0.2
95.04960	1.6
97.02886	1.0
98.21605	0.4
107.04925	2.0
111.00790	0.5
119.04932	14.7
121.02826	0.3
121.06464	0.8
123.04425	3.4
125.02256	0.3
129.01834	0.5
141.19926	0.2
144.50507	0.2
147.04398	36.5
148.04762	0.5
151.03879	0.7
153.01811	100.0
154.02106	0.8
158.49121	0.3
161.20306	0.3
164.35995	0.3
171.02872	12.8
179.03377	1.3
185.05881	0.4
189.05461	1.4
231.06483	4.9
255.06551	0.8
273.07541	83.4
274.07837	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2052
Annotation	17-Methyl-18-norandrosta-4,13(17)-dien-3-one
Peak:m/z	Relative Intensity
52.48270	0.2
55.01874	0.3
55.05498	1.1
64.91967	0.2
67.05492	3.7
69.03419	2.5
69.07054	1.6
69.55949	0.2
70.12020	0.6
70.12428	0.8
79.05482	4.1
81.03403	0.5
81.07046	10.5
83.08604	1.1
85.06527	0.7
91.05457	3.6
93.07034	6.4
95.04959	1.6
95.08598	5.5
97.06522	1.0
98.97562	0.3
105.07019	6.5
107.08588	3.9
109.06505	35.2
109.10134	2.5
111.08055	0.4
115.05448	0.3
117.07011	1.7
119.08570	4.5
121.06494	2.2
121.10135	2.4
123.08059	7.6
123.11700	0.7
123.12569	0.3
128.06206	0.5
129.07013	1.0
131.08545	4.4
133.10129	3.8
135.08063	0.7
135.11684	2.6
137.09579	0.6
141.06940	0.7
143.08554	2.5
144.09244	0.3
145.10109	4.1
147.08020	1.2
147.11676	3.3
149.09608	2.6
149.13231	3.0
151.11084	0.3
155.08495	0.8
157.10123	2.9
159.11671	8.3
161.09599	1.8
161.13242	6.6
161.14565	0.3
163.11163	1.0
163.14828	0.6
169.10092	0.8
170.10867	0.3
171.11652	2.6
173.13193	1.3
175.11160	0.8
175.14790	2.2
177.12708	0.3
182.51611	0.2
183.11732	1.2
185.13210	1.5
187.14804	8.0
189.12692	1.5
197.13248	2.6
198.13898	0.3
199.14859	0.3
201.16319	1.0
211.14792	0.9
213.16359	4.6
215.14285	0.5
223.14877	0.3
224.15442	0.3
225.16219	0.4
227.17906	0.3
229.19438	0.6
243.20930	0.5
253.19513	6.0
271.05887	0.9
271.20532	100.0
272.20953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1901
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
50.40857	1.2
50.49829	1.0
51.92872	1.0
53.03925	1.3
55.01847	3.5
55.05507	32.7
57.03435	24.1
57.07042	3.2
59.04979	1.5
65.03922	2.8
67.05499	52.1
68.99763	2.3
69.03415	2.8
69.07062	31.3
70.78104	3.5
71.04991	11.9
73.06545	1.7
75.56541	1.2
79.05487	20.9
81.03397	1.9
81.07051	77.1
83.04974	5.5
83.08138	1.3
83.08613	23.4
85.02892	1.4
85.06548	9.7
91.04960	1.5
91.05473	20.6
93.07038	22.2
95.04970	2.5
95.08600	98.1
97.06521	15.5
97.10163	7.0
99.08084	5.4
105.07021	18.2
107.08579	10.1
108.97203	1.2
109.06467	3.3
109.10163	13.5
111.08041	4.7
117.07008	1.4
119.04937	1.0
119.07778	2.1
119.08578	24.9
121.10132	6.3
123.08011	4.9
123.11704	3.0
127.07574	1.6
129.06972	1.4
131.08482	1.2
133.09210	1.4
133.10117	14.9
135.11674	9.7
137.09586	3.3
137.13266	7.8
143.08559	1.6
145.10063	2.9
147.11667	2.1
149.13190	2.0
153.01788	3.4
153.06976	1.4
155.08499	1.6
157.10123	2.2
159.11641	2.5
161.11978	2.0
161.13246	32.6
165.06964	2.1
169.10072	1.2
171.11652	1.7
173.06032	1.9
173.13255	3.0
179.14296	17.8
185.06056	1.2
185.13179	1.3
198.12711	1.4
211.07556	1.6
211.14659	1.4
226.12234	3.6
235.16838	1.6
243.14825	2.0
253.19493	4.6
271.06006	49.7
271.09338	3.7
271.14188	5.9
271.18976	100.0
272.06277	3.7
272.19153	1.5
288.55765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1898
Annotation	(+)-Yingzhosu A
Peak:m/z	Relative Intensity
53.03914	2.4
55.01849	4.9
55.05225	1.8
55.05499	36.9
57.03150	2.1
57.03426	28.3
57.07046	4.0
67.05491	58.5
69.03409	3.3
69.07053	34.8
71.04979	14.1
71.21490	2.8
73.06522	1.3
79.05058	1.7
79.05483	23.5
81.03401	2.7
81.07041	88.9
83.04955	5.4
83.08603	22.0
85.06532	10.7
86.37668	1.3
91.05463	20.7
93.06467	1.7
93.07030	22.5
95.04948	2.4
95.08588	99.7
97.06506	14.7
97.10171	6.3
99.08065	5.5
101.05994	2.2
105.07011	19.1
107.08582	9.5
109.02843	1.1
109.06525	3.4
109.10130	14.9
111.08043	6.5
113.09606	2.8
119.08562	26.4
121.10125	7.0
123.08030	8.2
125.09617	2.7
127.11217	1.4
131.08522	2.0
133.10117	16.0
135.11656	10.5
137.09547	3.7
137.13223	6.5
141.07050	1.8
141.78696	1.3
143.07004	1.4
147.07996	1.5
149.07811	1.3
149.13194	1.9
151.11220	2.0
159.11627	2.8
161.11969	2.0
161.13239	32.1
165.06982	3.7
179.14282	17.0
183.07977	1.9
187.14758	1.4
197.15237	1.7
211.07564	1.5
235.16866	2.1
253.17964	5.8
271.06085	8.0
271.09085	6.2
271.18976	100.0
272.19321	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1436
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
50.03472	0.5
55.05492	2.0
56.05021	0.6
57.07067	0.9
59.31591	0.6
67.05487	2.6
67.88833	0.6
69.07043	2.3
71.04984	0.9
71.62856	0.7
74.02051	0.6
79.05478	2.3
81.07050	4.9
83.08584	0.9
91.05463	2.8
93.07024	2.1
94.06573	0.8
95.08571	2.9
95.69496	0.6
96.08093	1.7
97.10151	0.8
104.21809	0.6
105.06996	2.3
106.06546	2.0
107.08590	1.7
108.08099	7.5
109.06486	0.7
109.10138	2.1
117.06976	1.1
118.06547	0.7
119.08612	1.2
121.10145	0.9
122.09669	1.0
123.11684	1.0
124.07589	1.1
131.08578	1.1
133.10123	2.2
135.11665	1.4
136.07544	1.7
142.07738	1.0
143.08630	0.7
144.08134	0.8
145.10059	1.2
147.11649	0.9
148.07539	1.0
151.11163	0.9
155.08542	1.0
156.55470	0.6
157.10130	2.0
158.09659	0.8
159.11699	1.7
168.08051	3.6
169.08882	3.6
170.09616	0.8
172.07513	1.2
174.09116	1.6
175.11220	0.7
181.10100	1.7
182.09648	1.9
183.07971	1.0
183.10379	6.3
183.11681	0.9
185.10707	1.5
185.58415	0.6
186.09206	0.9
186.11493	1.1
196.07553	2.6
197.05734	0.8
197.08308	6.4
197.13229	0.9
198.09273	1.2
198.12759	7.0
199.08620	6.1
199.12265	1.6
201.12708	1.1
208.11162	0.7
210.09148	1.6
211.09911	12.5
213.10208	10.7
213.16440	1.0
214.10925	3.5
215.15448	3.9
220.19995	0.6
225.13829	0.8
226.12244	24.3
227.08176	1.5
227.11760	18.5
228.12541	22.8
241.09650	2.2
241.13243	1.0
242.10480	1.5
243.14912	21.1
253.13356	4.1
253.19441	1.1
254.11687	1.8
255.11258	25.4
256.12042	29.4
269.12845	1.3
271.06152	7.2
271.14374	100.0
271.20294	3.7
271.23984	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	271.0961
Annotation	3,5-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03948	0.7
53.89336	0.8
55.01862	4.5
55.05496	1.6
57.07023	0.7
65.03935	2.1
66.17497	0.6
67.05492	1.3
68.99797	3.9
69.03410	1.3
69.07069	1.6
70.06580	1.6
70.10881	3.4
71.04977	1.5
72.08157	3.2
79.05473	1.5
81.03418	1.8
81.07045	3.0
85.02859	1.0
85.06542	1.6
86.06094	0.6
89.03895	1.6
91.04939	1.3
91.05473	12.6
93.07036	1.6
95.04977	3.4
95.08614	1.5
95.31217	0.8
97.02866	1.0
99.04424	0.9
103.05479	1.7
105.04500	0.7
105.07018	1.7
107.04937	3.5
107.08550	1.0
109.02876	3.2
109.10155	1.5
111.04420	1.5
115.05449	2.7
116.07083	1.4
117.03350	1.1
118.04144	1.7
119.04931	8.9
119.08563	1.3
121.02843	1.9
121.06486	3.8
121.10110	0.8
122.96147	0.6
123.04414	1.7
125.05938	0.8
127.03912	1.3
127.11151	1.0
128.06212	0.9
129.06998	1.6
131.04874	0.9
131.08531	0.7
133.10143	1.3
134.03593	1.6
135.04399	1.9
135.11699	0.6
136.07544	1.0
137.05972	6.0
137.09657	0.7
139.05437	0.8
140.06201	0.9
141.06958	6.6
144.05605	1.0
145.06480	1.4
145.10199	0.8
147.04427	2.1
147.08046	1.4
149.02330	4.8
149.05989	2.3
149.09607	0.8
150.06718	1.0
152.06186	6.0
153.01773	1.1
153.05727	1.6
153.06979	25.6
154.07703	2.4
155.04929	2.3
155.08542	14.6
155.09694	1.3
157.06461	5.1
157.10106	1.0
159.04472	0.9
161.05978	1.3
164.44676	0.7
165.06987	60.4
166.07515	1.0
167.04869	0.8
167.07072	2.7
167.08418	0.6
168.05684	7.2
169.06451	6.9
170.07280	1.8
173.05952	3.1
179.04881	1.3
179.08565	1.2
180.05617	0.9
181.06462	15.7
181.08087	0.8
182.07230	7.4
183.04407	1.8
183.08046	32.0
185.05949	4.8
187.03873	1.2
187.07484	0.8
193.06331	10.6
194.07207	1.0
195.08055	1.5
196.05193	5.2
197.05986	5.2
197.09558	1.5
198.06648	1.5
199.07454	3.2
200.08238	4.0
201.05432	3.4
203.07027	1.9
204.42940	0.8
207.04384	3.3
209.05946	1.7
210.06754	3.9
211.07529	34.7
212.08325	5.1
213.05437	2.5
213.09010	1.5
215.07039	6.1
221.05962	11.8
224.04550	0.7
225.05460	2.3
225.09128	2.8
227.06982	1.4
227.19456	0.8
228.07791	4.3
229.04955	3.2
235.16936	0.8
239.07022	8.2
241.08662	0.9
242.09280	4.6
243.06541	5.4
243.10150	4.1
253.04945	1.1
253.08545	1.3
270.08820	0.8
271.06085	20.7
271.09641	100.0
272.06592	1.0
272.10004	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.096
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03936	0.9
55.01861	4.9
55.05482	2.4
57.07040	1.4
59.90011	0.7
65.03928	1.6
67.05468	1.7
68.99764	1.7
69.03396	2.7
69.07047	1.7
71.04968	2.5
71.62251	1.1
79.05454	2.8
81.03385	1.4
81.07036	7.4
83.04974	3.6
83.08596	0.9
85.02874	1.2
85.06509	1.2
86.09689	0.8
88.44695	0.6
91.05464	11.7
93.07014	3.0
95.04973	4.2
95.08558	2.5
97.06488	1.6
98.09637	1.4
99.04418	0.9
99.08064	1.7
103.05443	0.6
105.06985	2.7
107.04904	3.1
107.08553	1.9
109.02843	1.9
109.06469	2.1
109.10165	3.1
111.04398	0.9
113.05968	2.4
115.05429	1.9
116.10702	0.9
117.06979	0.8
118.04142	1.0
119.04906	7.9
119.08539	2.2
119.15049	0.7
121.02831	0.9
121.06489	4.0
121.10102	2.2
123.04388	1.2
124.05177	1.2
125.05972	1.1
125.09636	1.6
127.03876	1.1
127.07561	0.7
127.11149	2.8
129.06975	2.1
131.04805	0.8
131.06940	1.0
131.08580	1.4
133.06425	1.0
133.10065	2.4
134.03558	1.6
135.04405	1.2
137.05963	5.3
137.09572	2.9
141.06987	5.4
141.09058	1.0
145.10060	1.5
147.04353	1.5
147.11684	1.3
149.05928	1.8
149.09581	1.9
150.06683	1.1
151.11127	1.2
152.06183	6.7
153.06967	25.1
154.07697	2.8
155.08516	13.2
155.10509	1.2
157.06471	2.6
159.11610	0.9
161.09550	0.9
161.13257	0.7
165.06975	57.1
165.12762	1.0
166.07457	1.5
167.08498	1.7
167.10631	1.1
167.14223	1.0
168.05695	8.9
169.06461	5.8
169.10101	1.1
170.07204	1.5
171.07977	1.0
171.11636	0.8
173.05945	1.2
179.04855	0.8
181.04997	1.3
181.06450	14.0
181.30130	0.6
182.07234	5.8
183.04465	1.1
183.08020	31.0
183.09674	1.6
185.05875	3.0
189.12767	0.7
193.06319	10.4
194.07233	1.9
195.08060	1.2
196.05142	6.5
197.05951	5.1
197.09515	0.9
198.06667	1.6
198.14821	2.5
199.07501	2.1
200.08260	4.2
201.05550	1.5
203.06911	0.7
207.04356	3.7
209.05946	1.6
210.06720	3.8
211.07498	29.4
212.08195	3.5
213.05447	2.2
213.09044	1.5
215.07137	0.9
215.10573	1.3
217.15732	0.8
221.05920	11.9
223.16811	1.3
225.05431	1.3
225.08958	2.8
226.06297	0.9
226.14297	4.4
227.06981	1.3
228.07791	3.8
229.04988	1.4
235.16876	2.0
239.06987	8.3
242.09308	4.2
243.06393	0.9
243.10133	3.4
253.08507	1.6
253.17917	1.5
270.08856	0.8
271.06021	15.0
271.09564	100.0
271.16751	2.7
272.09860	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	269.1742
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03925	4.5
55.01849	3.3
55.05501	21.8
57.03425	28.2
57.07043	5.6
57.29861	1.2
65.03925	2.8
66.96294	1.2
67.05495	75.4
69.03408	1.7
69.07059	30.1
69.32302	13.6
71.04977	5.9
71.08607	3.3
73.02881	1.8
79.05484	47.6
79.05947	2.5
81.03386	4.3
81.07043	100.0
82.07414	1.6
83.04971	11.6
83.08614	19.6
85.02879	2.6
85.06524	8.5
89.01637	1.2
91.05463	28.3
93.07029	76.7
95.04942	7.1
95.08595	31.6
95.56188	1.1
97.06509	20.4
97.10134	3.9
99.08065	5.9
105.03343	3.5
105.07009	16.2
107.04893	1.7
107.08578	40.8
109.06448	5.2
109.10142	8.3
111.08051	10.3
117.06998	12.2
119.08553	7.5
121.06458	3.4
121.10123	20.3
123.08020	1.7
123.11660	5.5
127.07575	1.7
131.08539	18.4
133.10112	17.0
135.08037	2.0
135.10820	1.3
135.11670	16.1
137.09573	1.6
139.11172	1.6
141.06963	1.8
143.08507	1.9
145.10039	4.8
147.07957	1.4
147.11603	4.1
149.09479	2.0
149.13239	46.6
149.42390	1.2
150.13493	1.4
151.11140	1.3
155.08603	1.5
157.10059	4.9
159.10432	2.1
159.11662	33.7
161.13194	4.5
167.14153	1.2
169.09995	1.3
171.11633	4.2
173.13176	3.5
176.58076	1.3
177.12708	14.8
179.14168	1.8
185.13197	3.2
195.11824	2.1
195.13744	21.0
199.14662	1.9
209.13190	2.5
209.15019	1.4
211.10608	1.3
212.80888	1.6
213.12738	1.5
213.14600	2.3
213.16374	3.1
225.63057	1.7
241.19423	1.8
251.16383	2.3
251.19939	2.8
269.07944	13.4
269.11105	2.9
269.17343	83.8
269.22134	17.5
270.17657	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03924	2.4
55.01847	4.0
55.05258	1.5
55.05504	22.4
57.03428	35.6
57.07070	7.1
60.43002	1.4
64.19408	1.3
65.03922	2.7
67.05492	76.4
69.07054	33.8
70.91245	3.9
71.01340	1.8
71.04989	8.4
73.19971	1.5
76.64808	1.3
79.05479	44.2
81.03397	2.7
81.07043	100.0
82.07367	1.4
83.04972	10.3
83.08604	16.9
85.06540	8.2
88.42803	1.4
91.05464	21.5
93.07028	75.6
94.07360	1.4
95.04952	8.4
95.08590	28.8
97.06509	17.3
97.10149	1.8
99.08079	4.1
105.07004	9.2
107.04972	1.3
107.08578	41.8
109.06496	4.3
109.10121	7.0
111.08062	7.8
113.09658	2.7
117.07011	11.0
119.08539	7.0
121.06473	2.2
121.09294	2.6
121.10114	25.7
123.11694	3.1
129.06931	1.2
130.71124	1.5
131.08566	12.9
133.10094	11.7
135.08011	2.7
135.11659	14.4
137.13161	1.5
139.11125	3.4
143.08510	1.9
145.10127	2.5
147.11684	3.7
149.09648	1.8
149.13231	59.3
151.11153	1.7
157.10095	2.6
159.11679	26.9
163.07573	1.3
171.11658	2.6
173.13190	2.2
177.12746	15.1
185.13220	2.4
195.13799	18.1
199.14781	2.2
213.16414	3.1
227.17996	1.8
234.46388	1.5
269.17438	80.6
269.22400	19.4
270.17871	2.3
270.23044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03926	3.6
55.01412	1.9
55.05507	18.6
57.03432	40.5
57.07075	11.8
61.97063	2.1
66.36434	1.9
67.05499	75.8
69.07062	29.4
71.04974	3.4
71.08602	9.4
73.02891	2.6
75.37876	2.2
79.05490	38.6
81.03398	2.6
81.06579	5.0
81.07049	100.0
83.04971	10.7
83.08604	20.6
85.06520	6.6
85.53683	2.4
91.05471	19.4
93.06470	4.0
93.07034	72.6
95.04931	7.8
95.08598	30.0
97.06091	1.8
97.06522	18.8
99.08077	5.0
105.07005	8.8
107.08585	37.1
109.10145	3.6
111.08048	9.7
113.05972	2.4
117.06985	7.6
121.10137	22.4
131.08540	8.2
133.10103	10.2
135.11688	14.1
135.12564	2.5
139.11226	2.5
149.13237	64.1
159.11705	25.6
169.15945	2.1
177.12701	15.0
195.13777	21.2
218.37718	2.1
269.17410	79.2
269.22427	4.2
270.17987	2.5
270.27878	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	269.1742
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03918	3.4
53.40070	0.9
55.01844	3.8
55.05264	1.4
55.05500	20.2
57.03424	39.1
57.07045	3.8
59.04988	0.9
67.05491	77.5
69.03396	1.4
69.07056	34.7
70.95789	1.8
70.96140	2.2
71.04980	5.7
71.08604	1.6
79.05476	46.3
80.05833	0.9
81.03387	2.0
81.07040	100.0
83.04957	12.3
83.08601	22.8
85.06506	6.1
91.05466	20.1
93.07025	75.7
94.07312	1.6
95.04950	7.6
95.08591	30.9
97.06512	16.5
97.10139	3.3
99.08056	5.4
103.05463	1.2
105.06996	11.8
107.08575	38.5
109.06466	4.0
109.10129	5.5
111.08052	10.4
111.11709	1.5
111.78220	1.2
113.09574	2.8
117.06992	9.3
119.08563	5.6
121.06498	1.5
121.10115	25.7
123.08061	1.8
123.11643	3.7
125.09547	1.3
127.07554	1.2
131.08531	12.4
133.10126	12.3
135.07994	3.5
135.11655	14.4
137.09541	1.0
139.07509	1.2
139.11148	4.0
143.08534	1.7
145.10040	3.9
147.11601	4.5
149.13229	58.6
151.11110	1.3
156.09338	1.1
157.10081	2.1
159.10426	2.0
159.11665	26.1
167.14290	1.4
169.10085	1.3
171.11647	1.5
173.09514	1.0
173.13193	2.4
177.12726	14.7
178.97461	0.9
185.13252	1.8
195.13760	19.0
199.14771	1.2
213.14638	1.4
213.16417	2.1
230.57368	0.9
241.19499	1.7
251.16167	1.7
251.20030	1.8
259.63165	1.0
269.17389	81.2
269.22458	8.4
270.17728	3.4
281.49911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.18586	1.2
55.01858	2.5
55.05503	18.3
55.52071	1.2
56.96553	3.1
57.03428	34.1
57.07052	6.0
61.22237	1.2
65.03937	1.6
67.05494	72.0
69.03409	2.4
69.07057	27.2
71.04988	6.8
71.08602	2.9
71.62450	1.7
71.82069	1.3
73.02889	1.3
79.05483	41.6
81.03428	2.7
81.07046	100.0
83.04974	9.2
83.08610	20.0
85.06529	6.9
90.13956	1.3
91.05466	19.7
93.07030	68.1
95.04961	6.8
95.08592	28.5
97.06510	11.1
97.10141	2.8
99.08076	4.7
105.03374	1.9
105.07011	17.1
107.04967	2.1
107.08580	42.1
109.06506	7.5
109.10159	8.0
111.08067	10.2
113.05975	1.9
117.07009	9.3
119.08566	7.9
121.06493	4.7
121.10121	22.4
123.08043	2.1
123.11683	3.2
125.09646	1.8
127.07532	1.7
129.06982	4.5
131.08549	14.1
133.10126	12.3
135.08037	2.7
135.11670	12.4
137.09618	1.5
139.11218	1.8
142.07706	2.5
143.08551	4.7
145.10094	7.1
147.11647	5.3
149.09579	4.6
149.13239	51.9
151.11163	2.8
153.09045	1.5
155.08496	1.5
157.10078	11.7
159.11674	26.8
161.13271	3.0
167.14201	1.5
171.11681	3.3
173.13214	3.9
175.11194	1.5
175.14801	2.0
177.12737	12.7
179.08617	1.7
185.13197	7.7
185.65431	1.4
187.14787	2.2
194.28960	1.3
195.11856	2.3
195.13762	21.0
196.12427	1.7
197.13135	1.6
199.14665	1.6
209.13191	2.7
211.14777	3.6
213.14600	1.7
213.16364	5.2
227.17937	1.8
237.41144	1.3
251.07225	2.4
251.17987	3.6
251.20201	1.7
269.08096	3.3
269.17126	66.6
269.22626	12.0
269.25113	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1743
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
53.03918	3.1
55.01838	3.9
55.05500	22.5
57.03427	30.1
57.07063	8.7
65.03888	1.7
67.05494	68.8
69.03421	2.3
69.07057	38.4
69.56125	1.1
71.04993	6.5
71.08604	2.9
71.62530	2.2
79.05482	43.2
81.03386	2.4
81.07043	100.0
82.07333	1.5
83.04974	9.4
83.08612	19.1
85.02873	1.5
85.06533	10.9
91.05463	22.3
93.07029	69.6
95.04945	8.0
95.08587	40.0
97.06511	18.6
97.10122	4.9
98.97527	1.9
99.04391	1.5
99.08089	5.7
105.03331	4.6
105.07019	15.4
107.04929	2.7
107.08582	46.8
109.02852	1.2
109.06482	5.6
109.10127	13.6
111.08075	11.7
113.05943	2.1
113.09604	2.3
115.05418	1.5
117.07008	10.2
119.08573	10.5
121.06474	2.6
121.10124	27.8
123.04405	1.1
123.07999	5.4
123.11702	7.5
125.05962	1.4
125.09554	3.3
129.06937	2.0
131.08551	14.6
133.10120	13.7
135.07979	4.1
135.10783	1.5
135.11664	15.2
137.13205	3.0
139.07454	2.5
139.11073	3.2
142.07713	1.7
143.08543	6.9
145.10107	8.2
145.11073	1.6
147.11678	6.8
149.09534	2.9
149.13237	56.9
151.11121	1.9
153.08971	1.3
157.10101	7.9
159.11659	27.0
161.13139	4.2
165.12738	1.7
167.08444	1.8
169.10080	1.7
171.11647	5.8
173.09538	1.6
173.13196	4.3
175.14746	2.5
177.11342	1.8
177.12723	16.5
179.14198	1.5
179.77585	1.2
181.10030	1.6
185.13162	4.2
187.14716	2.4
192.74998	1.3
195.11873	2.6
195.13753	20.0
197.13246	2.6
199.14702	4.3
207.12120	1.1
209.13179	1.4
211.14769	2.0
213.14583	2.5
213.16331	8.0
215.17926	1.9
227.17934	2.0
233.15263	3.4
233.18974	2.4
251.16286	2.0
251.20032	3.2
269.04370	1.5
269.07889	1.9
269.11453	3.3
269.17343	74.7
269.22272	24.7
269.24973	1.6
285.22464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.0
55.05488	0.6
57.03411	1.1
61.28156	0.4
65.03932	0.5
67.05479	1.6
69.03405	1.3
69.07040	1.3
69.82956	3.1
70.07352	0.4
70.99744	0.4
73.86252	0.5
79.05482	6.1
81.03410	0.8
81.07052	2.5
83.04962	1.2
85.02883	1.0
85.06540	0.9
89.03866	0.5
91.05460	4.1
93.07043	2.1
95.04943	3.2
95.08581	1.6
97.06522	2.1
98.06845	0.6
98.20824	0.8
103.05464	4.2
105.03379	1.8
105.07014	6.3
106.03654	0.4
107.04937	48.5
107.08587	2.3
109.02859	1.0
109.06474	1.0
109.10090	1.0
111.04429	0.5
115.05428	3.0
117.03337	1.4
117.06956	2.1
119.04926	0.5
119.08557	0.9
120.05697	1.7
121.06475	0.6
121.10109	0.7
123.04429	0.6
123.08035	1.0
124.05195	1.1
125.04329	0.5
125.05966	1.2
125.09623	0.9
131.04889	0.7
131.08543	0.9
135.08032	15.6
137.05974	2.1
137.09581	0.5
138.06291	1.7
139.07559	0.4
145.02832	3.2
145.07556	0.9
145.10095	1.1
146.05962	0.5
147.04405	0.9
147.11624	0.6
148.05132	0.5
149.05945	1.4
149.09630	0.6
151.11201	0.6
153.09128	0.5
154.06190	3.6
159.11658	0.5
161.09665	0.5
163.07512	21.9
165.05450	0.6
167.07028	22.3
175.14804	0.4
177.05449	6.1
180.07793	5.2
195.10139	100.0
196.10501	0.7
223.07588	0.7
226.06635	0.4
233.15263	0.9
234.11980	2.5
238.82597	0.6
251.12454	0.6
251.19897	0.6
252.13005	0.9
269.08420	1.4
269.12973	2.6
269.17255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1742
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
50.41536	1.1
53.03925	3.0
54.23739	1.1
54.64155	1.2
55.01846	1.7
55.05504	14.9
57.03428	28.1
57.07070	6.0
59.04991	1.5
65.03925	1.6
67.05496	72.6
69.03403	1.9
69.07063	30.9
69.53762	2.7
69.54171	8.5
71.04996	7.4
71.08593	2.3
73.64774	1.1
74.75967	1.3
79.05482	44.7
81.03379	3.3
81.07045	100.0
82.01234	1.1
83.04959	11.1
83.08613	21.3
85.02846	1.5
85.06523	5.6
90.94312	1.2
91.04966	1.7
91.05469	25.6
93.07032	67.7
95.04939	9.1
95.08591	32.1
97.06519	18.4
97.10125	3.2
98.74349	1.1
99.04389	1.1
99.08033	5.2
105.03356	1.4
105.07015	12.5
107.04904	1.3
107.08578	38.6
109.06541	6.0
109.10138	8.2
111.08047	9.5
113.05930	1.9
113.09608	2.1
116.51979	1.1
117.07011	12.9
119.08549	6.5
121.06468	2.6
121.10130	21.4
123.08030	1.3
123.11649	6.7
125.09581	1.7
127.07496	1.5
129.06909	1.7
131.08551	14.7
133.10120	15.6
135.07999	3.5
135.10860	1.2
135.11691	14.3
139.11156	2.2
142.07706	1.6
143.08498	2.5
144.09235	1.7
145.10049	4.0
147.11612	4.6
149.13234	44.8
151.11079	2.4
155.08572	1.4
157.10077	5.8
159.10452	2.0
159.11671	31.3
161.13206	2.9
169.10168	1.6
171.11630	3.6
173.09534	1.5
173.13161	2.5
177.12724	18.0
179.14218	2.2
183.11578	1.1
185.13150	1.5
195.11847	1.9
195.13744	18.6
199.14764	3.0
211.14784	2.1
213.12834	1.5
213.16389	2.3
215.17783	1.2
223.14748	1.7
251.19969	1.8
269.04254	1.4
269.17337	79.5
269.22458	14.9
270.17584	2.3
273.65469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.43159	0.2
55.01859	0.4
57.03420	0.5
61.02906	0.2
63.55252	0.2
64.03403	0.1
67.32874	0.1
69.03418	0.2
69.72798	0.3
69.73211	0.8
69.88425	0.1
73.02908	0.2
85.02881	0.3
97.02940	0.2
115.03887	0.2
119.03534	0.6
136.06158	100.0
136.44112	0.2
137.04568	0.3
137.06612	0.7
172.66254	0.2
177.07834	0.1
181.25079	0.2
182.90536	0.2
206.11748	1.0
247.75928	0.1
250.14320	0.2
268.10358	8.0
268.15128	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1036
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.45413	0.2
55.01878	0.3
57.03432	0.5
61.02903	0.3
69.03424	0.5
69.77396	1.0
71.01338	0.2
71.24268	0.2
73.02911	0.4
84.08134	0.4
85.02895	1.0
97.02913	0.4
103.00631	0.3
119.01897	0.3
119.03555	0.4
121.01642	0.3
122.01917	0.2
136.06169	100.0
137.00101	0.2
137.04558	0.4
137.06638	0.8
157.03456	0.3
159.03157	0.3
160.03641	0.2
164.07030	0.3
177.07826	1.3
192.10092	0.5
194.07045	0.4
206.11743	7.3
223.06531	0.3
225.06332	0.2
225.93965	0.2
226.06726	0.4
245.04956	0.2
250.14401	1.1
268.07806	1.1
268.10361	8.6
268.15195	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	268.154
Annotation	Codonopsine
Peak:m/z	Relative Intensity
58.06586	0.3
70.65216	1.0
70.65561	0.3
80.70331	0.2
84.08131	2.8
98.21426	0.3
105.07022	0.4
121.41938	0.2
124.03938	1.0
131.08565	0.4
136.06180	1.8
137.05841	0.3
140.12958	0.2
143.08554	1.7
149.05966	0.5
154.13148	0.3
159.08017	0.9
160.05164	1.0
160.11169	0.7
161.05954	2.1
162.05450	0.6
164.07033	3.8
171.08020	1.9
174.06773	0.4
176.07031	0.3
177.07816	20.4
177.09039	0.9
178.08600	0.6
188.10681	2.0
189.09096	1.7
204.10226	0.6
206.11729	100.0
207.12032	0.7
250.14346	17.9
268.15393	34.5
269.15729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1586
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03942	3.7
55.01865	1.7
55.05503	7.5
56.96563	0.5
57.03430	19.6
57.07063	1.4
65.03925	0.8
67.05494	11.2
69.03419	4.0
69.07065	3.0
70.46988	1.7
71.04977	2.5
71.08595	0.6
72.85765	0.4
73.13611	0.4
74.09446	0.5
77.03940	0.5
79.05482	14.0
81.03406	100.0
81.07040	13.2
83.04964	5.4
83.08607	14.6
85.02900	2.0
85.06538	0.8
91.05469	17.3
93.07038	7.8
95.04955	22.5
95.08592	6.2
97.02878	2.3
97.06528	1.8
97.10168	1.7
98.98454	0.6
99.04454	1.1
99.08109	0.7
105.03375	18.4
105.07018	13.5
107.04947	4.6
107.08602	3.9
109.02879	0.7
109.06499	3.9
109.10143	2.4
111.04436	1.8
111.08075	7.4
115.05492	1.2
117.06965	0.9
119.04948	0.8
119.08564	13.7
121.06483	1.8
121.10134	5.4
123.04405	1.8
123.08045	1.9
123.11716	0.5
123.20473	0.5
125.09621	0.7
127.03897	0.8
128.06165	0.6
129.06976	8.4
131.08543	7.0
133.06441	2.6
133.10120	4.4
135.11667	1.0
137.09610	1.6
142.07780	2.3
145.10112	1.7
147.08078	2.6
147.11668	7.1
149.09618	3.6
149.10663	0.6
151.11224	0.7
155.08572	0.7
157.10106	9.0
159.11723	0.6
163.07487	0.4
163.11156	1.0
165.12759	1.9
169.10020	0.7
171.11566	0.6
173.09642	0.6
175.11165	10.0
183.11612	0.6
184.47249	0.5
193.12216	21.9
197.13272	1.0
203.14302	0.5
211.13132	3.1
211.15030	0.9
213.12717	0.6
223.13364	0.7
231.13794	0.6
232.56758	0.6
248.23492	0.5
249.07681	0.9
249.11134	0.5
249.14786	3.2
249.18365	0.5
267.15869	74.7
267.20868	3.1
268.16180	1.2
285.09988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1222
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03932	1.3
55.05495	2.2
57.03421	2.3
67.05489	2.8
69.03413	3.9
69.07037	1.5
69.49669	9.4
73.06525	1.1
79.05479	4.5
79.05914	1.0
81.03399	9.0
81.07037	2.6
83.04936	1.4
83.08593	1.4
85.02876	3.5
91.05470	5.6
93.07037	2.3
95.04937	2.8
95.08601	3.5
97.02892	1.5
97.06506	3.3
99.04411	1.1
105.03376	35.9
105.07019	3.4
106.03728	1.2
107.04912	1.5
107.08621	1.4
109.02818	1.9
109.06500	1.2
109.10133	1.5
111.08086	1.5
115.05445	3.0
116.06212	2.7
117.06988	1.7
119.08571	2.1
120.08041	2.7
121.06456	1.2
121.08437	3.7
121.10126	1.3
123.04405	2.4
123.08044	1.2
124.93712	1.0
127.03860	1.4
128.06206	5.0
129.06995	12.8
131.08548	12.3
133.06470	1.3
133.10098	3.2
137.05942	3.4
141.06950	4.9
142.07736	2.2
143.08583	2.1
144.05710	5.3
145.06454	4.2
146.07175	1.3
147.04407	1.8
147.08051	1.9
147.11670	2.6
149.09534	1.2
152.06418	1.1
157.06485	5.6
159.08034	20.1
161.05962	1.4
161.09634	5.5
167.08968	1.4
169.06363	1.4
169.07619	1.9
170.07227	4.1
171.08034	4.5
171.11591	1.5
172.05162	2.6
173.06001	3.2
174.06657	1.6
175.07555	2.5
177.05476	1.6
178.06291	1.1
187.07509	11.0
189.05414	1.7
189.09114	5.1
193.12268	1.4
198.06656	1.7
199.07498	1.7
202.56256	1.1
203.06982	5.4
204.07805	7.5
205.08420	1.2
213.06618	1.0
216.07762	2.1
219.10220	5.6
221.11693	1.4
231.10193	4.4
233.11801	2.0
237.11147	2.6
249.11189	100.0
250.11533	2.1
267.15918	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	267.1222
Annotation	Goniothalesdiol A
Peak:m/z	Relative Intensity
53.03936	4.5
55.01858	3.1
55.05514	5.4
57.03434	3.6
61.02924	0.8
65.03930	0.8
67.05503	5.6
68.99777	1.6
69.03420	11.6
69.07054	4.8
70.66513	2.3
71.04993	3.3
71.08612	0.8
71.31791	0.7
77.03911	1.0
79.05485	11.7
81.03410	19.0
81.07043	5.7
83.04972	10.1
83.08602	1.0
85.02892	11.4
85.03362	1.1
85.06516	2.2
86.81977	0.6
91.05472	7.2
93.07028	4.9
95.04957	14.9
95.08601	5.2
97.02865	3.1
97.06538	5.6
99.04449	2.5
103.05463	0.8
105.03378	100.0
105.07005	8.1
106.03729	1.7
107.04950	6.5
107.08559	4.0
108.02122	1.2
109.02862	7.8
109.06498	2.5
109.10123	2.3
111.04394	1.5
111.08076	2.3
115.05426	1.4
117.03378	1.5
117.07038	1.1
119.04917	1.3
119.08569	6.2
121.02840	2.2
121.06487	1.8
121.10139	2.9
122.03635	1.1
123.04417	19.1
123.08028	1.6
123.11658	0.9
124.03948	1.6
125.05961	1.5
125.09605	1.6
127.03904	6.0
128.06206	3.1
129.06985	4.5
131.04869	1.0
131.08578	3.4
132.05673	1.9
133.06491	6.1
133.10115	2.5
136.01534	5.1
137.05972	3.1
137.09598	1.6
139.00221	1.1
139.07571	1.5
139.34918	0.8
140.04662	1.5
141.05370	1.0
141.06970	1.0
142.07718	0.7
143.08595	1.5
145.02827	2.4
145.06451	1.2
145.10118	2.1
146.07251	2.1
147.04413	4.2
147.08049	1.4
147.11691	3.3
149.05989	0.9
149.09523	1.0
151.03908	2.5
151.07573	1.0
151.11166	0.8
153.01833	1.3
153.05434	3.4
154.02591	10.0
155.03383	2.5
157.06439	1.7
157.10130	2.3
159.08035	2.6
159.11743	1.0
160.05197	1.1
161.05991	2.1
161.09596	8.4
163.03918	0.9
163.11166	1.1
164.01099	1.3
165.05403	1.4
165.09091	1.4
167.07028	1.7
168.04207	0.9
169.04958	4.3
169.10062	1.0
170.05716	8.4
171.07988	1.1
173.13240	0.8
174.06772	1.1
175.07571	1.1
175.11156	1.4
177.05412	5.6
179.03410	5.4
182.02081	14.6
183.02937	0.8
183.06502	27.2
185.13190	1.1
187.07457	1.3
189.09081	7.3
191.07014	0.9
191.10695	1.0
193.04965	1.7
193.08588	1.7
193.12222	1.7
197.04433	92.4
198.04918	1.0
200.03122	8.9
203.07011	2.3
203.14420	0.8
207.06483	1.6
207.10056	1.6
211.06003	7.8
211.14713	1.0
217.08572	12.7
219.06499	7.0
221.15408	1.0
231.13824	1.5
233.11600	0.9
234.08835	9.5
235.09589	6.1
249.07573	4.6
249.11179	24.4
249.14966	2.7
249.18570	2.4
250.11887	1.0
267.08820	2.2
267.12274	22.6
267.15891	8.5
267.19440	1.9
272.19257	0.8
284.52005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03939	4.2
53.85416	0.3
54.91259	0.3
55.01857	0.7
55.05508	1.7
57.03426	1.9
61.02919	0.6
67.05499	1.8
69.03418	7.1
69.07050	1.3
71.04974	1.2
71.08617	0.3
71.62106	0.4
73.02888	0.4
77.03909	0.8
79.05478	6.5
81.03407	13.7
81.07052	2.6
83.04954	0.9
83.08591	0.7
85.02891	9.0
85.03411	0.3
85.06532	0.8
89.27712	0.3
91.05460	1.5
93.07046	1.3
95.04955	6.6
95.08594	2.4
97.02870	3.1
97.06511	0.5
97.10151	0.6
99.04424	1.9
105.03374	100.0
105.06989	1.6
106.03709	0.8
107.04951	0.4
107.08554	0.8
109.02865	6.0
109.06504	0.7
109.10143	0.9
111.08061	0.3
114.97501	0.3
119.08570	1.3
121.10133	0.9
123.04408	8.2
123.08041	0.4
123.11716	0.6
127.03898	5.2
129.06984	0.6
131.08514	0.4
133.10121	0.9
143.08623	0.3
145.04951	0.8
145.10100	0.7
147.11658	1.0
149.13225	0.3
152.82431	0.3
155.08580	0.5
156.09308	0.3
157.10071	0.8
159.11668	0.4
163.11134	0.6
169.10170	0.4
175.11256	0.5
185.13234	0.3
189.64655	0.3
193.12210	0.5
197.13324	0.4
211.14777	0.6
215.34009	0.3
249.07559	7.4
249.18567	0.6
266.28195	0.7
267.06119	0.3
267.08652	1.1
267.15787	2.8
267.21240	1.7
267.28760	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1221
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
53.03941	2.5
55.05499	1.9
57.03428	2.1
67.05476	2.5
67.98103	0.8
69.03413	5.0
69.07053	1.7
71.04976	1.5
71.62802	1.6
79.05469	5.5
81.03401	12.2
81.07035	3.7
83.04942	1.0
83.08587	1.2
83.53565	0.9
85.02892	5.5
85.06505	1.0
91.05467	7.0
93.07026	1.7
95.04937	6.4
95.08597	1.1
97.02885	2.5
97.06505	3.9
99.04428	1.2
105.03372	54.3
105.07027	4.1
107.08555	2.0
109.02872	4.8
115.05454	3.2
115.77324	0.8
116.06221	1.9
117.07057	1.5
119.04882	4.8
119.08578	3.7
121.10106	1.4
123.04417	3.6
127.03896	2.5
128.06209	4.0
129.06992	14.4
131.04962	0.9
131.08517	11.9
132.05757	1.0
132.08847	0.9
133.06493	2.6
133.10115	3.1
137.05954	2.6
141.06979	4.9
142.07793	2.1
143.08505	2.0
144.05679	6.5
145.05017	0.8
145.06480	3.2
145.10089	1.0
146.07236	1.8
147.04382	15.9
147.07999	1.5
147.11661	2.0
152.06166	1.4
153.06987	1.3
156.05675	1.2
157.06436	4.6
157.10089	1.6
158.07231	2.2
159.08028	18.8
161.05975	2.4
161.09607	4.4
169.07652	1.2
170.07295	3.8
171.08022	4.6
171.11700	1.1
172.05168	1.7
173.05984	2.5
174.06689	2.2
175.07536	1.8
185.13243	1.0
187.07526	13.3
189.05447	2.4
189.09094	6.2
191.07011	1.3
199.07481	1.9
203.07022	3.8
204.07788	7.9
205.08580	1.5
216.07809	3.1
219.10056	4.8
221.11739	3.1
231.10060	5.1
231.13809	1.3
233.11717	1.2
234.08696	1.3
237.11145	1.8
249.07234	3.1
249.11182	100.0
250.11568	2.5
267.15848	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	267.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	0.2
51.02369	0.4
53.03698	0.3
53.03938	4.0
54.70204	0.1
55.01853	0.4
57.03419	1.2
59.04988	0.2
61.02905	0.6
69.03419	7.8
70.67210	0.5
71.04977	0.7
73.02880	0.2
77.03889	0.9
79.05480	7.5
81.03407	6.7
81.07034	0.4
85.02892	12.7
89.06002	0.2
93.07016	0.3
95.04957	6.4
97.02887	1.9
97.06504	0.3
99.04435	0.9
105.03376	100.0
105.06990	0.6
106.03707	0.8
107.08610	0.2
109.02863	4.0
110.03194	0.2
112.33265	0.1
119.08515	0.2
121.02810	0.3
123.04411	11.2
126.09067	0.2
127.03904	4.1
127.04789	0.3
133.06471	0.5
136.06175	1.8
137.04579	2.3
137.06577	1.3
145.04982	0.4
146.03615	0.5
147.11688	0.3
159.08022	0.4
161.05991	0.7
161.09538	0.3
178.06194	1.6
187.07576	0.3
191.07150	0.2
193.08580	0.9
207.06436	0.2
220.87688	0.1
231.10248	0.2
235.13725	0.4
249.07555	2.6
249.11201	1.0
249.14972	0.2
267.08588	2.1
267.16449	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.6
53.03937	3.5
55.01853	0.3
55.49507	0.2
57.03429	0.9
58.19265	0.2
59.67916	0.2
61.02904	0.7
65.83395	0.2
69.03415	7.5
70.41570	0.5
70.41975	0.3
71.04982	0.6
77.03884	1.1
79.05476	7.1
81.03402	6.2
85.02888	12.1
91.05470	0.3
95.04948	6.4
96.05292	0.2
97.02877	2.1
99.04439	1.0
103.05448	0.2
105.03371	100.0
105.06984	0.7
106.03698	1.0
109.02862	3.6
115.05447	0.3
118.04114	0.3
123.04404	10.5
127.03891	3.6
128.06219	0.4
129.06990	0.8
131.04947	0.3
131.08521	0.8
132.05728	0.2
133.06464	0.8
137.50890	0.2
141.06982	0.3
144.05672	0.3
145.04956	0.2
146.03593	1.1
156.95068	0.2
157.06436	0.3
159.08018	1.8
160.05383	0.2
161.05957	1.4
161.09628	0.2
170.07263	0.4
171.07991	0.3
173.05890	0.2
178.06215	3.8
187.07506	0.8
189.09077	0.4
191.07025	0.5
193.08600	1.6
199.07434	0.2
203.06979	0.3
204.07805	0.6
217.85480	0.2
219.10118	0.4
231.10078	0.3
237.11105	0.2
249.07559	3.1
249.11217	6.3
249.13692	0.3
267.08591	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03697	0.3
53.03936	3.7
55.01854	0.4
57.03429	1.1
61.02907	0.5
67.05489	0.3
69.03419	8.5
69.80775	0.9
71.04969	0.6
73.02882	0.3
73.48132	0.1
73.90248	0.1
77.03907	0.8
79.05478	7.5
80.24660	0.2
81.03404	7.7
81.07053	0.5
85.02891	11.3
91.05466	0.4
93.07028	0.6
95.04955	6.5
95.08594	0.4
97.02877	2.1
99.04443	1.0
105.03372	100.0
106.03707	0.8
107.08579	0.3
109.02113	0.3
109.02859	4.3
109.06498	0.2
111.04404	0.2
119.04972	0.2
119.08571	0.2
121.10122	0.4
123.04405	10.7
123.08067	0.2
126.08717	0.2
127.03888	4.1
133.10112	0.3
145.04951	0.7
147.04358	0.5
147.11685	0.3
165.05537	0.2
229.63684	0.2
233.11517	0.2
249.07536	3.7
249.10075	0.3
249.11349	0.3
267.08563	2.0
267.16116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.6
53.03936	3.9
55.01860	0.3
57.03416	1.1
61.02907	0.5
69.03420	6.6
71.04976	0.6
71.53249	0.5
77.03912	1.0
79.05482	7.5
81.02924	0.2
81.03403	5.4
85.02890	10.9
92.51153	0.2
95.04955	6.3
97.02868	2.1
99.04427	0.8
105.03372	100.0
106.03706	0.6
109.02853	3.5
123.04410	11.3
123.05310	0.6
127.03899	3.7
133.06541	0.3
140.04663	0.3
145.04962	0.5
154.06305	0.3
155.07031	0.6
161.06004	0.3
189.05524	0.4
246.67302	0.2
249.07567	2.8
249.11096	0.6
267.08615	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76909	0.1
68.56184	0.1
71.61703	0.2
82.99459	0.1
82.99900	0.3
83.04961	0.1
85.82059	0.1
88.83527	0.1
101.00864	2.1
102.01011	0.2
119.01906	10.0
120.01992	0.9
122.97811	0.2
134.99886	0.5
137.01945	0.2
137.02942	2.7
140.98843	0.3
144.02040	0.1
146.03601	0.3
153.00917	0.3
158.03551	0.5
158.99841	1.1
159.99837	0.1
162.03069	0.3
164.98828	0.1
165.99644	0.2
175.03001	0.3
176.04555	0.3
177.00932	21.1
178.01038	0.4
182.01381	0.1
182.99886	0.4
184.00694	0.1
193.04027	0.5
195.01982	0.4
199.02983	0.1
200.02573	0.4
201.00922	1.1
201.02385	0.2
206.05826	0.2
217.04083	2.8
219.01978	23.9
219.94466	0.3
220.02144	1.3
221.02303	0.2
224.06688	0.2
225.00792	2.2
226.99030	0.1
227.99631	0.1
229.77867	0.1
234.00748	0.2
237.95613	0.2
242.03577	0.3
242.07687	0.1
242.96048	0.4
243.01921	7.6
244.02325	0.2
260.04611	0.1
261.03027	100.0
262.03143	2.3
263.03452	0.4
266.00244	0.3
266.03448	0.4
266.07809	2.7
267.07770	0.1
275.04626	0.2
284.04605	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	265.1067
Annotation	1'-Acetoxyeugenol acetate
Peak:m/z	Relative Intensity
53.03930	1.6
54.56184	0.9
62.45217	1.0
69.03410	2.8
69.07047	1.0
69.92358	2.6
69.92771	3.6
79.05480	2.4
80.32253	0.9
81.03412	14.0
81.07062	1.8
83.04952	1.2
85.02886	2.0
91.05466	4.2
93.07008	1.5
95.04966	2.2
95.08615	2.3
97.02872	2.3
98.20815	1.6
103.05447	5.9
105.07044	1.8
107.04973	1.3
107.08615	1.4
109.02869	8.5
109.06483	2.5
109.10164	1.7
111.04449	1.4
115.05457	18.6
117.07008	42.9
117.07842	2.1
119.08538	3.9
121.01979	1.7
121.02852	27.6
121.06517	1.6
121.10110	1.9
125.09615	1.1
128.06201	2.1
129.07001	5.3
130.04077	1.3
131.04936	1.8
131.08539	3.9
135.08052	1.5
139.03909	2.8
141.06993	1.7
143.04921	1.7
144.05733	1.9
145.06467	84.3
147.08028	3.8
147.11580	1.1
149.09677	1.6
155.06001	12.1
156.05676	18.3
157.06453	4.9
159.08041	4.0
159.11716	1.4
160.05209	2.5
161.05875	4.8
167.06998	3.1
173.05968	100.0
175.07521	3.4
184.05154	1.1
187.07515	5.1
187.11089	1.1
190.06223	39.1
191.06844	1.9
201.12785	2.2
202.06198	3.7
203.07016	16.3
205.08583	92.2
208.95514	1.5
217.08577	59.9
218.09190	1.8
219.10085	2.8
223.09651	2.1
235.09633	10.8
247.09581	4.0
247.13322	2.8
265.06659	8.4
265.10818	2.2
265.14563	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03938	7.9
55.01838	1.8
55.05476	4.6
56.05008	1.4
57.03399	2.8
57.07056	1.5
65.03919	5.5
67.05500	12.4
69.03423	21.8
69.07044	4.2
71.01512	4.4
71.04958	5.8
79.05475	11.4
81.03405	35.5
81.07045	10.5
83.04944	6.5
85.02865	3.4
85.06510	3.4
87.04459	1.9
90.98689	1.5
91.05467	25.0
93.03387	3.1
93.06547	1.9
93.07029	20.0
95.04454	2.2
95.04956	26.6
95.08598	13.2
97.02869	10.4
97.06491	5.2
99.04402	7.1
103.05463	1.9
105.06387	2.3
105.07021	34.7
107.04914	3.7
107.08575	11.3
109.02865	19.9
109.06490	13.9
109.10124	4.1
111.04428	16.9
111.08037	4.6
113.05993	7.9
115.05386	4.7
117.06992	9.5
119.04913	2.9
119.07809	2.8
119.08569	39.0
120.08033	2.3
121.02852	100.0
121.06490	25.0
121.10099	5.3
122.03150	2.4
123.08042	14.0
125.05900	2.9
125.09579	2.1
127.03898	2.7
128.06180	3.7
129.06970	10.2
130.07722	4.7
131.04840	2.0
131.07700	2.0
131.08553	23.4
133.06424	5.2
133.10115	10.2
135.08037	34.9
135.11559	1.5
137.05937	1.9
137.09618	8.1
139.03879	12.8
139.07465	5.5
141.06955	4.7
142.07709	5.1
143.08525	8.7
144.09247	4.4
145.06480	7.8
145.09180	1.7
145.10101	17.7
147.04324	4.8
147.08029	22.9
147.11629	6.9
149.05933	3.6
149.09540	6.0
151.07550	3.0
153.06888	2.1
154.07698	2.4
155.08441	4.8
156.09288	3.9
157.10112	9.8
158.07260	11.3
158.10805	3.3
159.08037	21.2
159.11679	21.8
160.08730	2.5
161.09589	20.4
161.13220	3.3
163.03806	2.6
163.07487	3.2
165.09085	20.1
167.07059	1.8
168.09276	3.1
169.10118	2.6
171.07951	3.5
171.11603	5.3
172.08832	10.2
172.52386	1.7
173.05862	3.1
173.09593	10.4
173.13225	13.4
174.06633	1.9
175.07520	39.7
175.11156	15.7
177.09071	2.2
183.11629	6.9
185.09532	3.9
186.10344	2.8
187.07484	2.8
187.11159	21.6
189.09030	6.7
189.12665	9.7
191.06877	2.7
191.10486	2.3
193.08620	14.2
199.11136	8.4
201.12692	16.8
203.10655	25.5
205.08524	3.6
205.12186	4.4
207.10023	3.4
211.11143	11.3
217.08615	1.6
217.12216	16.2
219.13725	6.7
229.12186	16.9
235.13176	4.4
247.13205	28.1
248.10019	1.6
263.12851	1.5
265.06979	26.1
265.10046	2.7
265.11435	2.4
265.14276	54.6
272.32346	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99842	0.8
61.80000	0.4
68.98270	0.4
69.03407	1.0
70.56576	1.2
70.99836	0.6
71.30100	0.4
73.02879	0.6
77.00885	1.0
79.05490	0.3
82.99840	1.1
85.02873	1.0
89.00899	0.5
97.02872	1.2
98.97578	0.4
99.16402	0.4
101.00860	18.2
114.14040	0.4
115.02419	1.8
119.01897	36.8
120.01977	0.7
121.01629	0.9
121.02850	0.7
122.07143	2.6
127.02395	2.0
131.01883	1.6
133.01625	0.7
133.03447	4.8
137.02936	4.4
139.02368	3.6
142.03519	0.7
143.01875	7.6
144.04765	0.5
145.01698	0.8
145.03441	10.5
151.04474	0.7
157.03432	24.6
158.03552	0.6
161.01506	0.6
161.02910	12.8
162.03094	0.5
163.02649	2.7
163.04640	2.1
164.04312	0.5
169.03459	0.4
170.05814	0.4
173.02888	0.6
175.02919	0.8
175.04491	13.6
180.05081	0.6
181.05533	1.6
184.04477	0.4
187.04477	1.4
193.03815	0.5
205.03761	0.9
205.05545	6.2
205.25307	0.4
219.01944	0.6
223.06583	16.8
223.08783	0.8
224.06693	0.5
241.07635	6.7
247.06613	3.0
261.03067	1.0
265.07645	100.0
266.07825	3.0
283.08734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0765
Annotation	Sulfaperin
Peak:m/z	Relative Intensity
56.95227	0.3
58.99836	0.7
69.03402	0.9
69.44740	2.7
70.99837	0.7
77.00879	1.5
82.99841	1.5
85.02913	0.8
89.00847	0.6
95.01955	0.5
96.13727	0.4
97.02856	0.7
98.21512	0.6
101.00858	20.7
101.09859	0.3
103.00610	0.4
103.02438	0.5
103.20725	0.3
108.55637	0.4
113.00822	0.5
115.02405	2.3
119.01894	40.3
120.01987	0.5
121.02802	1.9
124.02400	0.6
127.02378	1.9
127.03753	0.4
129.04012	0.3
131.01880	1.8
133.03445	5.3
137.02934	4.3
139.02400	3.2
142.03429	0.9
143.01865	9.0
145.03433	11.8
151.04465	0.7
155.01985	0.4
157.03429	27.9
158.03632	0.7
161.02927	12.2
163.02646	1.3
163.04408	2.5
169.03439	0.9
173.02916	0.5
175.04477	13.8
177.88692	0.4
180.05066	0.4
181.05550	1.6
184.05853	0.5
185.22997	0.4
185.77193	0.4
187.04492	1.0
205.03708	0.7
205.05527	7.1
223.06580	27.2
224.06714	0.8
241.07643	9.3
246.08243	0.9
247.06593	3.0
265.07632	100.0
266.07858	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	265.07
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41584	0.2
53.03935	4.3
55.01865	0.3
55.05484	0.2
57.03416	0.5
61.75056	0.2
65.00459	0.2
65.03925	2.6
67.05500	0.4
67.75162	0.2
69.03415	6.4
69.07027	0.3
70.04406	0.6
70.04799	0.3
70.06571	0.4
71.01345	0.2
71.04971	1.3
72.08121	0.2
79.05464	0.4
81.03401	39.2
81.07045	0.3
83.04964	0.3
84.04500	0.3
85.02877	0.6
86.09693	0.5
91.05501	0.3
95.04951	3.7
97.02870	4.7
98.97570	0.7
99.04437	2.9
103.07555	0.2
105.07011	0.7
107.08646	0.4
109.02856	15.0
109.06475	0.3
111.04423	3.1
116.98590	0.3
117.07037	0.2
119.08529	0.2
121.02844	100.0
121.10124	0.3
122.03149	1.0
122.07112	0.3
123.07996	0.3
127.03892	2.1
131.08566	0.3
133.10071	0.4
135.08038	0.3
137.09717	0.2
139.03879	6.2
145.06387	0.3
147.04344	0.3
147.08008	0.2
157.03435	0.4
159.08044	0.3
171.58894	0.2
173.05939	0.4
175.07480	0.3
176.10680	0.3
187.11165	0.2
192.35458	0.3
205.08505	0.5
214.58800	0.3
217.08527	0.3
223.59174	0.2
229.13326	0.3
244.06636	0.2
247.09624	0.3
265.07019	30.1
265.15353	0.9
266.07431	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36527	11.4
70.22329	9.8
70.60429	9.5
71.21561	23.9
143.01950	14.8
161.02856	19.4
263.01556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1273
Annotation	Trixol
Peak:m/z	Relative Intensity
52.23114	1.2
53.03946	1.3
55.01856	4.3
55.05487	1.9
67.05488	4.8
69.03413	10.4
69.07053	2.9
70.77000	2.8
70.77409	2.1
71.04973	1.2
73.91635	1.1
79.05473	8.6
81.03382	1.7
81.07046	9.8
83.04958	2.4
85.02896	3.3
87.04412	1.3
91.05465	10.2
93.07026	8.4
95.04961	6.7
95.08597	3.9
97.02869	2.7
97.06516	18.3
98.60570	1.1
99.04431	1.6
100.79464	1.2
105.07024	10.6
107.04910	1.5
107.08573	14.5
109.02851	4.5
109.06477	6.5
109.10124	2.1
111.04436	7.3
113.02366	4.5
115.05417	3.2
117.06998	7.4
119.04894	3.2
119.08568	10.7
121.06483	4.3
121.10130	1.8
123.04403	6.7
123.08068	3.6
124.92039	1.2
128.06163	6.1
129.07001	4.0
131.08575	5.9
133.06471	4.8
133.10124	5.0
135.08034	100.0
137.02354	1.5
137.05942	7.5
137.09590	2.5
139.03838	1.6
139.07541	2.2
141.06979	4.4
142.07710	6.0
143.08521	6.9
144.05678	1.3
144.09283	1.5
145.06445	3.3
145.10120	4.7
146.07211	1.4
147.08012	9.6
147.11655	2.9
149.05960	2.8
149.09563	2.5
151.07550	2.3
155.08543	1.6
156.09317	8.2
157.10109	5.5
158.07256	2.6
159.08006	7.9
159.11647	9.8
160.08899	1.5
161.05981	4.5
161.09641	5.9
163.07524	3.6
165.06978	1.6
165.09093	3.7
166.07758	2.4
169.06403	1.2
169.10094	1.4
170.07281	1.9
171.08069	1.5
171.11632	8.3
172.05162	2.6
172.08781	5.7
173.09602	10.8
174.06703	1.4
175.07500	3.6
175.11142	5.0
177.03795	1.2
181.10109	4.5
184.08806	4.3
185.09596	5.6
187.07494	1.4
187.11166	29.4
188.08269	4.0
189.05382	1.4
189.09074	4.0
189.12654	2.9
199.07484	2.6
199.11136	19.3
201.12640	1.2
202.09940	2.1
203.10638	32.8
209.09639	2.2
212.08359	3.9
215.10651	22.8
217.08835	1.6
217.12225	22.1
218.05685	2.3
227.10597	16.7
233.08205	5.7
233.11682	28.5
235.13167	2.2
245.11696	67.6
263.10312	1.1
263.12769	29.8
264.15848	3.1
276.46606	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02365	0.5
53.03927	1.4
55.01848	0.9
55.05256	0.6
55.05500	8.5
57.03413	1.0
57.07071	2.3
65.03918	0.8
67.05495	25.1
69.06718	0.6
69.07059	8.0
70.14118	0.8
70.14542	1.6
70.89511	0.5
71.04971	1.2
71.08591	0.8
79.05482	35.0
80.05782	0.6
81.07045	30.4
83.04943	1.1
83.08614	4.8
85.06517	2.0
89.81407	0.5
91.05470	16.3
93.07027	49.6
95.04958	2.4
95.08591	23.9
97.06489	2.5
97.10142	2.2
99.08067	2.5
105.06372	0.9
105.07016	12.5
107.08578	31.7
109.06503	1.8
109.10142	9.1
110.10448	0.5
111.08056	2.1
113.09648	0.6
117.07001	5.0
119.08566	11.6
121.10125	29.7
123.08060	0.7
123.11688	3.7
125.09596	0.9
129.07013	0.7
131.08548	9.9
133.09195	0.8
133.10123	8.6
135.08090	0.5
135.11670	25.0
137.09581	1.0
137.13242	1.3
138.29497	0.5
142.07788	0.6
143.08488	1.2
145.10094	11.9
147.11670	7.6
149.13234	18.2
151.03998	0.7
151.11169	0.8
151.14754	0.6
153.12718	0.7
155.08601	0.7
159.11676	8.3
161.13242	7.1
163.14799	13.4
165.12691	1.0
169.10115	0.7
173.13245	7.8
175.14851	3.3
177.12935	0.5
177.16400	3.6
179.14276	1.9
183.11514	0.7
185.13193	0.5
187.14812	5.2
189.16338	1.0
190.12724	0.4
197.13191	1.6
199.14787	0.9
201.16353	2.6
203.17877	0.5
205.15869	0.9
215.17953	4.2
217.19379	0.6
219.17393	0.7
233.22600	1.0
243.13795	1.9
243.21053	25.1
244.21390	0.9
261.22098	100.0
262.22510	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	263.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63571	3.9
69.35240	15.0
69.35666	29.3
81.27100	4.0
83.21794	3.8
87.37923	3.9
95.71282	3.5
98.21511	9.1
118.91979	3.9
119.01898	4.5
131.01892	4.1
131.27660	3.8
139.11603	3.6
143.01891	11.1
161.02948	20.2
173.02936	7.4
203.04007	4.9
210.79466	5.1
221.40735	3.8
263.01633	100.0
263.05280	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.60519	0.4
53.03937	1.4
55.05252	0.6
55.05503	7.3
57.03428	0.9
57.07074	2.9
65.03926	1.0
66.42082	0.3
67.05495	26.0
69.06706	0.6
69.07060	9.0
71.04970	1.6
71.08609	0.9
71.62813	0.6
77.03918	0.5
79.05482	31.4
81.07048	30.0
83.04976	0.9
83.08611	4.9
85.06528	2.8
91.04893	0.5
91.05467	17.5
93.07031	47.5
95.04964	3.6
95.08595	24.2
95.09068	0.5
95.09219	0.7
97.06509	1.9
97.10159	2.2
99.08077	2.0
105.04473	0.6
105.07022	13.1
107.04910	0.5
107.08582	33.5
109.06506	1.5
109.10144	10.1
110.67264	0.4
111.08092	1.7
111.11681	0.5
113.09633	1.2
116.06201	0.4
117.07005	4.7
119.08564	10.9
121.10128	31.0
123.04407	0.4
123.08059	1.8
123.11709	3.7
125.09628	0.9
129.06979	0.7
131.08556	9.8
133.10112	9.5
135.08032	0.5
135.11673	24.3
136.12094	0.5
137.09601	0.8
137.13260	0.9
139.11150	0.4
143.08583	0.7
145.10106	13.2
147.11678	8.3
149.09592	0.7
149.13239	20.0
150.13588	0.5
151.03841	0.5
151.11172	0.6
151.14784	0.6
153.12679	0.4
157.10144	0.8
159.11670	8.6
161.13232	7.1
163.11118	0.9
163.14798	13.7
165.12715	1.0
171.11687	0.6
173.13248	8.7
175.14850	3.3
177.12730	0.4
177.16360	4.8
179.14317	1.0
185.13182	0.4
187.14810	5.4
189.16371	0.9
191.14317	0.4
197.13194	0.5
199.14696	0.4
201.16374	2.9
203.14305	0.9
205.15828	0.4
215.17923	16.9
216.18317	0.8
217.19444	0.5
219.17354	0.5
233.18863	0.6
233.22668	0.9
243.21054	26.0
244.21396	0.8
261.14899	5.1
261.18649	6.7
261.22104	100.0
262.22452	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02365	0.3
51.60090	0.3
53.03936	1.2
55.01888	0.3
55.05504	9.1
57.03431	1.4
57.07064	2.1
59.04996	0.4
65.03941	0.8
67.05497	25.5
69.07060	8.8
71.04974	1.4
71.08627	0.8
77.03909	0.6
79.05483	35.9
81.07048	30.6
83.04978	0.7
83.08605	4.7
85.06538	2.5
91.04884	0.5
91.05470	17.5
93.07033	49.2
95.04966	2.9
95.08596	23.6
97.06513	2.2
97.10147	1.9
97.67564	0.3
99.08076	2.8
102.28828	0.3
105.04500	0.6
105.06298	0.5
105.07016	12.9
107.08583	33.4
109.06493	1.5
109.10143	10.6
111.08055	2.3
113.09646	0.8
117.07009	4.4
119.06140	0.3
119.08572	11.0
121.10128	30.9
122.10448	0.5
123.08089	1.1
123.11682	3.9
125.09606	0.8
131.08553	10.9
131.09505	0.8
133.09108	0.4
133.10114	9.8
135.11678	25.8
137.09595	1.0
137.13231	1.3
139.11179	0.9
145.10101	10.2
147.11673	9.1
149.09586	0.7
149.13242	18.9
151.11176	1.0
151.14777	0.7
153.12752	1.0
159.11674	8.8
161.13226	9.5
163.11220	0.6
163.14799	15.0
165.12729	1.2
167.14288	0.5
171.11687	0.5
173.13245	8.4
173.14674	0.7
175.14813	3.4
177.12688	0.5
177.16331	3.9
179.14297	1.5
187.14792	5.6
189.16380	0.6
193.15807	0.4
201.16301	2.3
205.15903	0.8
215.17935	2.5
219.17427	0.7
233.22607	1.3
243.21059	26.3
244.21425	0.6
261.22110	100.0
262.22479	2.8
263.82156	0.4
273.60001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.57333	0.3
53.03939	1.3
55.05503	8.6
57.03427	1.1
57.07071	2.6
59.04987	0.4
62.27569	0.3
65.03913	0.8
66.29629	0.4
67.05493	25.0
69.07056	8.5
70.24854	1.2
71.04987	2.2
71.08615	1.0
76.30853	0.3
77.03919	0.4
79.05481	34.6
81.07043	31.2
82.07373	0.6
83.04961	1.1
83.08607	5.5
85.06520	2.9
91.04883	0.6
91.05466	17.9
93.07027	47.4
94.07381	0.5
95.04958	2.7
95.08592	24.7
97.06528	2.3
97.10154	1.8
99.08081	2.5
99.75212	0.3
105.04505	0.6
105.07018	12.4
107.08577	32.6
108.91460	0.4
109.06516	1.5
109.10139	10.3
111.08046	1.8
113.09565	0.5
117.06992	4.3
119.08562	13.1
121.10123	28.0
122.10458	0.6
123.08089	0.9
123.11698	3.1
125.09620	0.7
125.40578	0.3
130.07751	0.3
131.08549	11.2
133.10110	9.6
135.08058	0.6
135.11671	24.6
136.12029	0.4
137.09607	1.2
137.13225	1.3
139.11166	0.6
143.08551	0.4
145.10101	11.2
147.11674	9.2
149.09593	0.6
149.13235	20.7
150.13565	0.4
151.11156	0.6
151.14784	0.6
153.12704	0.8
157.10133	0.4
159.11670	8.8
160.12161	0.4
161.13234	8.9
163.11179	0.7
163.14795	12.9
165.12723	1.2
171.11684	0.3
173.13234	8.1
173.71286	0.3
175.14787	2.6
177.12776	0.6
177.16357	3.6
177.49869	0.3
179.14294	1.4
187.14793	4.6
201.16379	2.3
203.17822	0.4
205.15891	0.9
215.14690	0.4
215.17918	9.6
217.19502	0.6
219.17393	0.8
225.16339	0.4
233.22638	1.3
243.21056	23.3
244.21353	0.7
261.18719	4.7
261.22095	100.0
262.18600	0.4
262.22412	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	261.0304
Annotation	Cyclophosphamide
Peak:m/z	Relative Intensity
69.96560	0.6
75.31139	0.1
82.99888	0.2
89.99117	0.1
98.20776	0.1
98.97559	0.1
101.00883	1.6
108.73629	0.1
116.98579	0.2
119.01913	6.6
120.01991	0.2
121.01608	0.1
134.99872	0.3
137.02953	1.4
137.40488	0.1
140.98747	0.1
153.00876	0.2
158.99876	0.6
161.02933	0.3
165.99640	0.2
175.03067	0.3
177.00941	12.0
178.01015	0.6
179.01361	0.1
182.99931	0.3
193.04056	0.2
195.01920	0.2
200.02609	0.2
201.00897	0.8
206.81357	0.1
211.01376	0.1
217.04086	2.3
217.69360	0.1
218.04178	0.1
219.01993	17.9
220.02132	1.1
221.02359	0.3
225.00844	2.2
226.01085	0.2
227.99554	0.1
237.98750	0.4
238.98354	0.3
242.03699	0.2
243.01967	7.6
244.02118	0.4
247.00887	0.1
255.51054	0.1
260.04483	0.2
261.03043	100.0
262.03171	5.2
263.03464	0.3
266.03519	0.2
275.04440	0.2
279.00577	0.2
284.04630	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	261.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.1
55.01860	3.0
55.05502	100.0
57.03433	6.7
61.02911	3.6
67.05506	1.4
69.03416	10.0
69.07041	5.4
71.01348	1.8
71.04993	8.5
71.18395	1.2
71.18735	2.5
72.08114	1.4
73.02907	9.8
76.65567	1.1
77.34297	1.0
79.05064	0.9
79.05478	22.6
81.03393	5.9
81.07043	85.3
83.04975	2.6
83.08604	43.3
84.04481	3.0
85.02892	33.2
85.03411	1.5
86.09696	3.9
87.04453	2.1
89.06008	1.5
91.03960	1.5
91.05464	1.1
93.07035	1.9
95.01324	2.1
95.04955	2.9
95.08610	1.4
97.02878	14.2
98.97663	1.5
98.98457	8.8
99.04446	4.5
99.08072	23.6
103.05481	1.3
107.04942	8.3
109.02846	2.6
109.06532	1.7
111.04389	1.5
114.64480	1.1
115.03926	6.1
116.98489	1.0
119.01791	1.3
119.04889	1.5
121.02878	2.4
121.06474	1.7
123.04438	2.6
123.08083	2.6
125.02346	4.7
127.03901	7.9
130.06534	3.4
132.10185	1.3
133.04927	16.3
135.04390	13.2
137.05911	1.5
141.01791	2.2
141.06944	1.4
145.04987	6.4
145.06281	1.1
151.03891	3.4
158.06004	3.1
163.05945	1.5
171.04269	1.0
175.82434	0.9
177.09077	1.1
179.05515	3.0
187.07574	1.3
187.49759	1.3
197.05940	1.6
197.15828	1.0
199.11137	2.0
215.06979	1.9
243.06506	1.4
261.03940	1.0
261.07565	4.6
261.12311	1.8
261.22174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1846
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
55.05495	1.6
57.07044	0.5
60.24356	0.4
67.05504	2.6
69.07053	2.6
69.50854	0.8
69.51266	2.4
71.04942	0.5
76.20595	0.4
78.73475	0.3
79.05486	2.6
81.07030	3.6
83.08598	1.0
85.06525	0.7
91.05472	2.7
93.07028	5.5
95.04963	0.7
95.08595	4.9
97.06512	0.5
98.21487	0.8
99.04436	0.5
103.05431	0.4
105.07012	5.5
107.08572	7.6
109.06475	0.9
109.10146	4.0
111.08027	0.5
117.06974	1.7
119.08559	12.3
121.06502	0.4
121.10133	4.5
123.04414	1.0
123.11717	0.6
130.07739	0.4
131.08531	5.0
132.08040	0.4
133.10109	4.0
135.08038	0.8
135.11647	1.2
143.08539	1.0
145.10100	13.5
147.11664	2.7
149.05971	0.4
151.03871	1.4
153.09076	0.7
157.10123	0.9
159.11671	10.0
161.09702	0.6
161.13243	1.1
165.09119	0.4
171.11639	0.6
172.12386	0.7
173.09660	0.5
173.13245	5.6
176.48524	0.3
177.09058	1.2
179.10635	0.5
185.13190	0.9
186.14056	0.7
187.14789	1.2
193.12215	0.6
200.15590	0.7
201.16347	0.5
215.17920	100.0
216.18346	1.7
217.19444	1.3
225.16350	0.4
233.18835	1.1
243.06085	0.4
243.17393	1.0
261.07501	0.9
261.18457	55.3
262.18799	1.0
272.60651	0.4
281.90976	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05500	11.7
57.07050	6.0
62.13984	1.6
67.05500	8.9
69.06713	2.9
69.07056	35.2
69.37468	19.7
71.04980	30.8
79.05476	10.8
81.07046	17.7
83.04950	7.6
83.08605	9.7
85.06134	2.0
85.06532	21.7
91.05446	10.1
93.07028	17.3
94.38699	1.8
95.04974	4.4
95.08603	18.9
97.06511	7.2
97.10075	1.9
105.03348	4.5
105.07019	23.8
107.08579	21.5
109.06522	11.3
109.10131	14.6
111.08068	18.8
117.07009	5.4
119.08559	60.7
121.06455	2.3
121.10130	14.8
123.08028	2.8
123.11681	23.9
126.45818	1.7
127.41853	1.9
129.01816	7.0
129.06976	3.4
130.07773	2.4
131.08559	10.8
133.10129	39.6
135.08044	22.6
135.11668	6.9
136.40082	1.9
137.09627	5.0
142.07739	2.9
143.08533	8.0
145.10106	32.4
147.07945	2.1
147.11659	19.7
149.13184	3.4
156.09332	4.1
157.10107	10.3
159.11671	34.2
160.12407	4.3
161.13225	40.0
161.14432	3.7
163.11169	4.6
170.10895	3.4
171.11671	16.7
173.11925	1.9
173.13127	9.0
174.13860	2.0
175.11214	3.3
175.13260	4.4
175.14790	86.9
176.15546	5.5
177.12656	4.4
177.16342	4.4
185.13246	14.1
189.12735	5.6
189.16405	4.4
190.13402	2.6
191.14345	2.4
197.03067	2.1
199.14767	6.1
201.16373	30.2
203.14325	11.2
210.27132	2.0
215.17928	7.4
217.19441	3.7
220.60011	2.4
241.19490	14.4
259.20532	100.0
260.20798	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	258.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07096	1.5
55.87404	1.7
56.19119	1.6
57.03448	2.2
57.06411	1.5
58.66360	1.6
60.08157	8.2
61.02926	3.9
65.50040	1.7
65.63945	1.7
65.94333	1.8
67.22841	1.6
69.03423	6.6
70.43674	7.8
71.07367	1.9
73.02912	3.3
81.03430	3.3
82.06568	2.3
85.02905	16.3
86.09707	17.9
86.96903	1.7
97.02895	8.0
101.00878	2.7
104.10742	100.0
109.02862	2.1
112.05092	3.2
119.01930	6.2
124.99995	23.7
127.03916	3.5
143.01888	2.6
145.03465	4.3
145.04997	2.7
157.03427	5.2
161.02975	3.3
169.05171	1.8
184.05983	2.2
184.07263	9.3
223.06575	4.7
232.03796	2.0
258.07422	30.0
258.11008	25.1
263.37192	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
54.41395	0.3
55.05483	1.1
56.05001	0.5
57.03432	2.7
61.02916	0.4
64.67848	0.5
65.03923	0.5
67.05480	0.9
68.99790	0.6
69.03423	3.7
69.07059	3.1
69.83666	2.7
73.02885	0.5
75.04444	0.8
78.04691	2.6
79.05466	1.5
81.03393	1.5
81.07032	1.4
83.04974	0.6
84.08103	0.6
85.02892	1.7
85.06578	0.6
86.09666	0.6
87.04453	0.6
87.08097	3.1
88.65015	0.4
91.05463	0.6
93.07017	0.5
95.04944	3.1
95.08564	0.5
96.08117	0.9
97.02274	0.9
97.02881	12.3
97.06514	0.7
97.10152	0.5
98.09673	0.5
98.20825	0.8
100.07600	0.8
101.05997	0.4
105.03367	1.4
105.06992	0.7
106.04137	4.1
107.04939	0.6
107.08549	0.8
109.02847	2.1
110.03652	0.7
111.04412	1.3
114.09146	9.4
115.03915	0.7
119.08612	0.5
121.02835	1.2
121.06485	0.6
123.04411	8.8
124.05194	2.4
125.02343	0.9
125.05962	1.0
127.03893	2.3
127.07535	3.4
128.07051	0.9
134.03625	4.7
135.04350	0.6
137.02296	0.8
137.05972	0.6
138.03111	4.9
139.03844	0.7
140.04662	9.5
141.05428	5.2
149.02313	5.6
151.03911	1.1
152.04668	6.4
153.05444	2.0
153.57242	0.4
155.03400	1.0
155.05742	0.6
155.07002	11.3
157.06445	0.6
167.07018	100.0
168.07314	0.9
169.04939	1.4
170.05719	48.6
171.08040	0.4
183.06519	2.8
185.05911	0.9
185.08141	1.5
186.09137	0.5
188.78226	0.4
213.05457	1.3
214.14410	0.5
223.13284	0.5
231.06451	4.1
232.06717	0.5
241.10664	1.3
242.13853	1.2
259.05869	4.4
259.11520	1.1
259.16357	0.6
260.16336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48203	0.5
53.10323	0.5
55.01847	1.9
57.03180	0.8
57.03427	9.1
64.39660	0.5
67.05476	2.2
69.02789	0.5
69.03406	2.3
69.07038	0.5
69.80160	3.8
71.04984	0.9
73.02870	0.6
75.04462	3.7
79.05475	3.4
81.03402	2.1
81.07022	1.7
83.04944	0.6
85.02892	2.3
85.06502	0.8
91.05467	2.0
93.07040	0.7
93.39923	0.6
94.04183	0.9
95.01300	2.8
95.04947	2.0
95.08605	1.1
97.02861	1.2
97.06535	0.6
103.05447	2.4
105.03383	5.0
105.07011	31.8
107.04932	2.2
107.08555	0.8
109.02883	1.3
109.06496	1.9
109.10146	1.7
113.02336	1.6
115.05494	1.0
117.06994	1.1
119.04929	1.4
119.08538	1.6
120.71455	0.5
121.02827	0.6
121.06508	0.7
122.03643	2.8
127.03904	1.0
133.06470	53.2
135.04364	0.8
135.08034	1.3
137.05952	100.0
137.09575	2.4
138.06366	1.4
138.65457	0.7
145.06419	1.0
147.04439	4.6
147.07990	1.0
149.00522	2.0
151.07584	0.9
163.07454	4.2
165.09088	29.0
167.03372	0.7
175.07497	3.0
177.09137	1.0
181.08586	2.4
181.97192	0.5
183.10132	8.9
195.01047	0.6
201.05469	1.3
203.03366	0.8
203.10689	1.4
204.71211	0.7
209.11702	1.3
221.11707	3.8
236.07103	1.9
239.12796	2.9
257.01279	1.3
257.04486	2.7
257.08185	0.7
257.13837	2.8
257.18686	0.7
258.05206	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.01862	0.6
55.05501	4.5
57.03411	0.7
57.07051	0.6
65.03941	0.9
67.05495	16.5
69.07057	3.1
70.00385	2.9
71.04971	0.7
71.08603	0.6
72.93791	0.7
78.68449	0.5
79.05482	8.7
81.07044	25.7
83.08605	7.1
85.06512	0.7
91.05461	8.6
93.06454	1.1
93.07030	15.4
94.24599	0.5
95.04935	0.7
95.08588	25.9
97.08687	0.5
97.10164	0.6
105.07018	13.7
107.04911	0.5
107.08578	12.3
109.10138	20.3
113.96390	1.6
117.06975	1.5
119.07769	1.0
119.08566	11.3
121.10128	12.3
123.08076	0.5
123.11694	5.0
127.04641	0.6
128.06181	0.5
129.07004	0.7
131.08556	2.3
131.97391	1.3
133.10110	13.3
135.11674	19.4
137.09541	0.7
137.13210	1.8
139.01860	1.0
141.13812	0.6
142.12265	3.0
143.08546	1.6
145.10100	4.8
147.11664	29.3
149.00531	1.0
149.13231	11.2
154.98924	0.9
155.08496	0.9
157.10097	0.8
159.11652	3.6
161.13232	25.1
162.03432	0.7
163.14728	2.8
171.11740	0.6
173.13275	2.1
173.97098	0.5
175.14799	18.2
175.20474	0.5
183.11546	0.9
187.11177	0.8
187.14790	3.0
189.16354	2.5
197.13268	0.7
199.14796	1.1
201.12570	0.5
201.16368	7.1
211.14828	0.9
215.17909	1.5
229.06177	0.9
239.17886	1.2
257.04495	5.4
257.08081	0.9
257.12418	1.6
257.15366	2.7
257.18921	3.3
257.22604	100.0
258.22849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01856	7.0
55.05497	7.5
55.36739	1.6
56.96548	2.9
57.03433	16.4
57.07051	4.8
58.99866	2.9
59.04992	2.7
61.02917	23.1
65.03925	3.8
67.05486	5.4
69.03417	49.2
69.07051	3.7
69.51420	10.9
69.51829	3.1
70.03740	2.2
70.06565	6.0
71.04981	5.9
71.08586	2.3
72.08138	2.8
73.02906	20.1
73.06544	9.5
74.06075	2.1
77.00896	2.1
79.05446	3.9
80.05025	1.9
81.03408	15.7
81.04522	2.7
81.07090	3.5
82.06558	2.9
83.04955	2.8
84.04502	3.9
84.08146	9.4
85.02895	100.0
85.06530	3.7
86.03220	2.6
86.06066	2.2
86.09710	1.9
86.99322	2.5
87.04453	8.9
91.03939	5.4
91.05461	12.5
92.05801	2.1
93.07004	2.6
94.02772	1.6
95.04955	3.2
95.06084	1.9
97.02270	3.6
97.02876	48.1
98.06017	2.0
98.97590	4.2
99.04427	8.4
101.00871	11.4
101.02368	2.9
102.02380	2.9
103.02443	10.7
103.03931	2.3
105.00365	4.1
105.03363	2.9
106.06554	4.2
107.04926	8.0
108.04485	9.2
109.02849	10.9
110.02143	2.3
110.07126	4.7
111.02768	2.4
112.07574	3.2
113.00887	3.9
113.02367	1.8
113.03471	3.8
115.02397	3.4
115.03928	4.7
116.98632	2.5
117.03976	3.9
118.01157	1.5
118.04121	2.0
119.01907	45.1
119.03674	2.3
119.04924	14.3
120.02012	7.6
120.05228	3.6
121.00324	1.7
121.00941	8.5
121.01822	1.8
121.02744	3.6
121.03470	7.6
121.06442	2.9
121.12967	1.6
123.02812	2.6
123.04423	1.9
125.07101	15.2
127.02396	4.4
127.03898	32.6
128.04295	3.1
129.03932	3.0
129.10188	3.6
131.01878	24.5
131.02705	2.1
131.05563	2.5
133.03444	7.0
134.03490	2.0
134.06001	4.9
135.04292	3.7
135.05145	2.2
136.05170	2.2
137.02882	7.6
137.05930	3.6
138.03293	2.9
138.05278	2.2
139.02209	5.1
139.03961	2.5
140.03148	3.8
140.05031	2.8
142.01810	2.0
142.65659	1.7
143.01889	14.8
143.05524	3.0
144.02094	3.7
144.03284	2.2
145.01677	3.1
145.03435	34.1
145.04936	17.9
146.03381	6.8
146.04985	2.9
147.01384	12.8
147.03200	3.4
147.04390	42.6
147.05743	9.7
147.55797	3.8
148.01456	2.0
148.04695	10.1
148.07576	1.8
149.00533	39.3
149.03012	4.5
149.06590	4.7
150.00868	2.2
150.03073	2.9
150.05505	3.4
151.02121	3.5
151.03877	4.2
152.07053	14.9
155.01878	16.9
156.02538	2.9
157.03458	13.5
159.05054	2.7
159.06760	1.9
160.06477	3.3
160.56725	3.0
161.01688	1.4
161.02925	36.3
161.06586	6.3
162.03162	7.6
163.02672	4.1
163.04404	7.6
163.08231	1.9
165.02461	4.0
165.03990	3.0
167.01608	15.1
167.03687	7.1
169.03395	2.9
171.01340	10.4
171.05006	6.2
172.31604	1.6
173.02948	24.7
173.06529	8.8
174.03055	2.5
174.07182	1.8
174.98546	1.9
175.02817	2.2
175.04521	3.5
176.04135	9.2
176.06068	1.9
176.54236	2.1
176.99995	13.4
177.05931	2.0
182.56142	1.8
182.58015	1.9
183.01421	4.0
183.04964	3.7
184.05740	5.0
185.02910	10.0
185.04463	3.0
185.06575	7.9
186.03030	2.8
187.02782	2.6
187.04468	8.5
188.04607	2.8
189.02429	28.6
189.06099	1.8
190.02623	5.8
191.02242	3.0
191.04446	1.6
192.05486	2.0
195.01129	8.0
195.05023	2.4
196.05708	2.5
196.55864	2.5
197.02913	5.3
197.06268	2.3
197.08195	3.3
199.04495	4.5
199.08299	2.4
201.02437	3.2
201.06006	2.8
203.03848	10.8
203.07649	7.2
205.05554	2.7
207.03473	19.8
208.03685	2.0
209.03140	5.5
211.06335	4.2
212.05312	2.4
212.07153	4.9
213.02402	2.9
213.06015	6.6
215.00377	3.0
215.03975	6.3
215.07620	3.9
217.01927	2.0
221.05043	17.9
223.06613	3.5
225.05684	2.1
231.03473	67.6
231.06853	8.8
232.03604	7.2
233.01341	5.8
233.04973	2.6
233.98189	3.2
234.01668	3.2
234.06207	2.7
234.98868	3.2
239.00084	2.1
239.13892	3.0
240.08701	4.4
241.07474	2.3
243.03470	13.3
243.07147	3.0
244.03574	2.1
245.05035	7.1
246.05380	4.5
247.04787	4.2
249.04526	10.6
250.04549	2.6
251.02435	3.5
252.02664	7.4
257.01086	24.5
257.05103	19.1
257.08521	14.4
257.11407	17.1
257.14954	8.5
261.04614	5.0
261.08118	3.2
264.06665	1.6
265.07709	2.4
275.06842	2.1
275.09833	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	255.195
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
52.17650	7.8
53.16427	7.1
55.05497	50.0
57.03421	18.0
57.07049	15.5
59.04996	17.4
63.58183	8.6
67.05480	34.8
69.03410	13.8
69.07064	82.3
69.97941	29.2
69.98351	13.6
71.04972	26.7
78.80692	8.5
79.05475	28.4
80.16721	7.8
81.07049	100.0
83.04966	30.1
83.08591	30.3
85.06518	31.5
91.05435	15.0
93.07040	56.9
95.04937	19.7
95.08590	55.5
97.02874	8.5
97.06508	29.3
97.10171	18.1
98.20841	19.0
98.98441	53.9
99.02215	8.0
99.08085	21.7
100.44281	8.7
105.07004	38.9
107.07972	10.2
107.08592	54.5
109.10151	81.6
111.04442	12.3
111.08060	10.3
119.08582	19.3
121.10142	51.7
123.11677	21.7
125.05890	10.3
125.09584	15.1
127.07537	9.6
127.11164	34.9
133.10132	53.2
135.11667	36.6
137.09633	9.6
145.10115	26.3
147.11673	26.1
149.13220	33.3
155.10669	10.4
157.10133	10.7
159.11659	22.6
161.13304	9.1
166.46387	8.4
167.14253	10.2
177.16335	13.1
181.12317	9.0
201.16383	21.5
211.08701	19.4
219.17407	37.2
227.11717	23.4
237.18411	56.2
240.08864	10.5
255.06470	26.0
255.11325	80.3
255.17265	27.2
255.21367	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	255.1951
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
51.96313	4.5
53.03918	7.7
55.01863	14.7
55.05503	66.8
57.03420	15.0
57.07062	12.8
67.05494	40.3
69.03416	23.0
69.07059	37.6
69.82859	23.1
71.04987	37.7
77.82452	4.4
79.05491	43.2
81.07048	73.8
83.04979	53.8
83.08615	11.5
83.60954	4.6
85.02879	7.9
85.06539	18.3
91.05479	26.2
91.97767	4.7
93.07032	56.4
95.01311	9.0
95.04948	36.3
95.08595	39.5
97.06522	28.8
97.10140	5.8
98.98457	33.2
99.08083	9.1
105.07020	51.8
107.08584	47.4
109.06500	22.9
109.10151	31.6
111.08062	14.8
117.06993	6.3
118.86880	5.3
119.08583	34.0
121.06458	25.0
121.10125	66.7
122.06828	14.2
123.04391	6.3
123.08051	10.2
123.11695	32.0
125.09605	11.8
127.11191	14.8
131.04880	7.0
131.08556	17.9
133.10100	73.1
133.11044	6.8
135.08093	11.7
135.10023	6.1
135.11682	25.9
137.05984	12.1
137.09616	11.0
137.13281	6.6
139.11142	23.9
143.10658	6.3
145.10101	19.1
147.08046	8.4
147.11662	17.3
149.09625	7.0
149.13239	22.0
151.11145	39.7
153.12723	15.4
157.10320	6.2
159.11699	21.6
161.13234	8.4
163.07530	8.1
163.11147	11.5
165.09109	14.6
165.12744	8.4
167.07076	5.8
171.11667	5.1
173.13206	6.6
177.12689	10.1
177.16394	10.0
181.08586	6.4
185.61754	4.8
189.11542	4.9
193.08586	8.0
201.16397	21.6
219.13860	11.1
219.17404	37.3
222.78307	4.7
227.07098	8.3
236.54373	5.2
237.14732	10.3
237.18457	100.0
255.06479	16.8
255.15678	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.05501	2.8
57.03423	0.9
57.07049	1.1
65.03929	0.5
66.48213	0.4
67.05495	9.9
69.07051	2.6
69.27220	0.3
70.71248	0.3
71.08613	0.3
71.49957	0.4
75.04444	0.3
75.57254	0.4
79.05482	5.5
81.07044	17.9
83.04968	0.5
83.08628	2.0
85.06526	0.5
91.05470	8.6
93.07024	9.6
95.08595	9.7
97.06495	0.6
97.10162	0.8
98.98454	3.2
105.07013	13.5
107.08578	7.4
109.06493	0.7
109.10136	9.3
111.11686	0.5
113.74008	0.3
115.05414	0.6
117.06998	5.5
119.08556	8.1
121.10122	6.9
123.11670	1.8
129.06967	2.0
129.07780	0.3
130.07759	1.2
131.08545	11.0
132.22429	0.4
133.10115	12.8
135.11679	5.5
137.13229	0.6
137.25795	0.3
139.03883	0.4
143.08513	2.7
144.09288	1.1
145.10103	20.7
147.11665	29.2
149.13243	2.0
155.08694	0.4
157.10101	2.4
159.11673	35.4
160.12035	0.6
161.13248	5.8
163.14812	0.7
171.11658	2.6
172.12375	0.5
173.13245	15.7
175.14781	1.1
184.17030	0.8
185.13242	4.1
186.13945	0.9
187.14786	2.1
189.16376	0.6
197.13196	0.4
199.14827	5.6
200.15533	0.7
201.16200	0.4
211.11295	0.4
211.14865	0.6
212.16414	0.8
213.16379	2.4
219.33498	0.3
226.17134	0.5
227.17924	1.7
240.18701	0.5
255.21043	100.0
256.21362	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	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03432	3.3
59.04988	0.4
61.02921	1.6
65.22022	0.2
67.02487	0.2
67.28970	0.2
69.03423	2.1
69.62126	0.9
69.62543	0.6
70.49706	0.2
71.01333	0.4
73.02907	4.2
78.03450	0.8
78.15605	0.2
80.05009	1.7
81.03407	0.3
83.04958	0.3
85.02893	3.3
87.04445	0.8
96.04488	0.4
97.02872	1.8
98.20737	0.4
101.00840	0.6
103.03915	0.4
106.02898	5.2
109.02855	0.2
115.02440	0.2
115.03911	2.1
117.57291	0.3
119.01926	1.1
121.02869	0.3
123.05536	100.0
124.03941	0.8
124.05849	0.6
127.03886	0.3
131.01865	0.3
133.03445	0.5
133.04935	2.8
143.01849	0.6
145.03467	0.5
145.04866	0.3
155.01888	0.3
157.03426	0.4
161.02974	0.4
163.04453	0.2
173.02911	0.3
174.06256	0.4
184.56064	0.2
188.03691	0.2
199.75621	0.2
201.00139	0.3
203.04054	0.3
214.07471	0.3
223.06630	0.4
241.07631	0.2
245.01459	0.3
251.02417	0.7
255.06291	1.6
255.09439	1.2
255.13589	0.4
256.03052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1951
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
51.92797	3.0
52.46715	3.5
53.03922	3.5
55.01849	13.9
55.05492	15.7
57.07045	16.3
65.34040	3.2
67.05499	23.8
69.03414	6.9
69.07053	27.5
69.38886	35.7
71.04961	12.8
76.73647	3.9
79.05465	13.3
81.07032	42.7
83.04951	6.0
83.08588	11.4
84.04472	12.0
85.02860	3.5
85.06520	21.2
91.05446	17.5
93.07036	24.3
95.04935	6.1
95.08595	38.2
97.06505	7.5
97.10140	6.1
98.98446	22.4
99.08080	6.2
100.11230	34.8
105.07008	27.9
107.08556	27.8
109.10143	32.1
111.08029	6.0
117.07020	8.8
119.08546	13.0
121.10134	22.0
123.11685	11.7
125.05909	4.0
125.09636	8.7
127.07515	5.2
127.11146	7.0
131.08548	16.8
133.10094	25.5
135.11652	10.6
137.09639	4.0
139.11180	3.7
142.12286	6.8
143.08517	4.1
145.10072	21.0
147.11679	29.1
149.13202	8.7
151.11134	6.7
154.12306	17.8
157.10052	5.8
159.11670	34.6
161.13223	8.7
163.11107	4.9
168.13882	4.3
170.11728	5.6
171.11639	4.8
171.14923	43.0
173.13223	14.6
175.14723	4.9
185.13135	5.1
195.07999	3.6
199.14682	4.4
201.16321	6.4
219.17393	10.0
227.06725	3.7
237.14742	4.7
237.18446	14.0
237.22105	3.8
255.06342	6.5
255.10075	4.8
255.17406	16.7
255.20892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1951
Annotation	Yingzhaosu D
Peak:m/z	Relative Intensity
55.01857	12.4
55.05506	36.5
57.03431	10.9
57.07059	11.9
61.02899	4.6
63.34141	4.0
67.05487	30.6
68.32560	3.5
68.99789	4.5
69.03426	8.4
69.07056	74.2
69.95238	19.7
71.04977	17.3
75.04463	14.2
79.05479	26.8
80.29097	3.8
81.07043	100.0
83.04967	18.5
83.08606	21.6
85.06529	35.1
89.76031	4.1
89.93578	4.1
91.05469	17.5
93.07042	71.1
95.04951	12.8
95.08597	85.8
97.06522	24.2
97.10158	12.9
98.98451	9.5
99.08086	5.3
101.06029	6.8
105.07006	52.3
107.08585	76.3
109.06518	11.3
109.10144	46.8
111.08060	12.1
111.11709	11.4
113.06003	13.1
117.07006	8.6
119.08562	33.6
120.90829	3.8
121.06498	11.3
121.10130	59.6
123.08070	14.0
123.11703	21.3
125.09636	7.9
126.00387	4.1
127.11149	4.3
129.07027	4.8
131.07021	6.0
131.08551	18.2
133.10120	53.6
135.08037	5.0
135.11662	47.7
137.09616	10.7
137.13242	41.7
139.11115	9.6
141.09111	7.4
145.10078	27.3
147.11678	22.5
149.09601	7.3
149.13222	42.8
151.11154	16.2
155.10666	4.1
159.10403	4.1
159.11681	32.0
161.13255	31.0
163.11211	8.9
163.14789	22.0
173.13263	7.4
175.14868	10.4
177.12730	12.9
177.16350	11.2
179.10703	7.4
179.14307	8.7
181.06461	6.8
189.16347	11.2
191.14287	4.4
191.17940	11.8
201.16379	35.5
207.17415	12.0
219.13911	11.0
219.17390	41.2
227.06908	5.0
237.18445	38.7
243.49019	4.0
255.06427	53.1
255.13541	4.1
255.15784	11.9
255.19447	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
56.44573	0.3
60.54558	0.4
69.03405	0.4
70.66235	0.5
76.65170	0.4
77.03942	0.3
82.07373	0.4
90.62024	0.4
91.05466	8.4
91.06005	0.7
93.07030	14.5
95.04962	2.4
97.20942	0.3
98.98460	0.8
103.05449	10.0
103.06133	0.6
105.04509	0.7
116.55882	0.3
117.06989	0.5
118.06535	0.8
119.07327	1.6
121.06485	100.0
122.06818	1.0
134.09631	48.9
135.09999	0.7
138.06543	0.3
138.09972	0.3
213.07687	0.4
222.08234	0.5
254.15367	62.9
255.15678	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55985	1.0
52.62175	1.3
53.03933	1.8
55.01851	3.0
55.05488	1.5
56.05014	2.3
56.96557	1.4
57.03442	6.0
57.03656	1.2
57.07038	1.6
61.02917	10.4
67.05489	1.5
69.03066	1.6
69.03419	16.6
70.06580	2.2
71.04972	3.9
71.61882	2.1
73.02892	4.4
79.05481	1.7
81.03404	7.1
81.07018	1.5
83.04972	1.3
85.02895	100.0
86.06076	1.4
87.04436	3.0
91.03945	7.5
91.05482	2.7
93.07017	2.2
95.04934	2.0
97.02879	17.9
98.98455	19.2
99.04430	3.3
102.05514	4.8
103.03925	1.9
107.08601	1.3
109.02853	8.1
109.06541	1.6
121.02869	9.8
125.09597	1.7
127.03909	25.3
137.05928	2.1
138.05429	1.2
139.03932	1.3
140.07097	1.3
145.04948	50.5
152.05592	1.3
153.15555	1.1
162.09052	1.5
163.06000	16.1
166.06290	2.9
181.08470	1.9
195.11115	1.7
208.09677	4.1
218.08052	1.3
219.04965	1.9
236.09129	3.6
237.07446	1.7
240.93791	1.3
254.10144	2.9
254.14104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70059	0.3
53.03935	0.5
53.50394	0.3
55.05510	0.4
71.01424	0.7
71.01762	0.5
72.08146	8.2
77.03938	0.3
79.05475	0.9
81.07053	2.2
84.89159	0.4
91.05459	2.5
93.07038	6.6
95.04981	0.6
98.98460	0.7
103.05455	3.4
103.43796	0.3
110.64159	0.3
116.10677	0.6
121.06490	100.0
122.06817	0.6
162.63434	0.3
170.64914	0.3
192.13812	63.8
193.14096	0.5
228.65030	0.3
236.16414	8.7
236.86510	0.3
252.06886	0.3
254.17485	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	255.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.1
55.05492	0.8
57.03412	4.9
57.41194	0.6
60.44717	0.6
61.02905	2.3
61.41785	0.5
66.89452	0.5
69.03425	3.2
71.01315	1.0
71.31087	1.3
71.31465	1.4
73.02890	3.9
78.03435	1.1
80.04999	1.7
81.06986	0.8
85.02896	4.9
87.04465	0.9
97.02867	1.9
98.98434	1.6
101.02385	0.6
105.20467	0.6
106.02882	5.0
106.13195	0.6
110.07124	0.9
113.55142	0.7
115.03915	1.9
119.01888	1.7
123.05524	100.0
124.03934	2.3
124.05910	0.6
125.29683	0.6
129.01897	0.8
133.03395	0.7
133.04945	1.9
138.05492	1.4
143.01888	0.9
143.03400	0.6
145.03430	0.9
152.07024	0.6
157.03366	0.9
158.92540	0.7
161.02937	0.9
166.04985	1.0
182.99107	0.8
189.03886	1.3
203.05519	0.9
221.78915	0.6
251.02335	0.8
255.06288	9.0
255.09677	1.7
255.14110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.8
57.03420	3.8
61.02906	3.9
69.03402	4.3
69.44690	4.8
69.45126	5.0
73.02896	4.6
81.03391	1.3
81.09081	1.1
85.02882	5.6
96.55920	1.0
97.02875	4.8
98.98444	2.9
102.02330	1.0
106.02901	4.5
111.75595	1.0
115.02430	1.9
115.03900	2.5
119.01895	2.6
123.05531	100.0
124.03894	1.1
127.03886	1.1
131.01878	1.2
133.03439	2.7
133.04947	3.1
144.99768	1.1
145.03459	2.1
145.04953	1.5
151.84827	1.0
157.03415	1.8
161.03014	1.5
168.04443	1.9
169.05260	1.9
173.02756	1.3
189.02335	1.1
189.03899	2.2
209.28320	1.1
227.28024	1.1
233.01489	1.4
251.02431	2.4
255.06305	12.1
255.10052	1.8
256.03091	2.2
264.64215	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1794
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03927	3.6
55.01844	5.6
55.05507	24.1
57.03414	8.4
57.07065	9.9
59.04972	7.1
59.74083	1.9
60.40853	2.0
62.46998	1.8
65.03954	2.2
67.05496	57.2
69.03414	11.1
69.07055	83.6
71.04987	11.8
71.62519	3.8
73.06522	8.0
79.05479	31.0
81.03378	2.6
81.07046	100.0
83.04961	20.4
83.08598	8.0
84.58469	2.0
85.02887	4.3
85.06054	3.5
85.06525	33.6
91.05460	19.6
93.07030	36.3
95.04952	17.6
95.08591	36.3
97.06520	69.7
97.10129	2.8
98.98449	63.4
99.04404	3.0
99.08067	8.2
101.05953	3.9
105.06380	3.6
105.07018	42.8
107.08578	43.8
109.06510	20.2
109.10142	94.4
109.10910	4.6
111.08034	10.5
111.11775	2.2
113.05984	15.1
115.07545	7.0
117.07010	4.3
119.08573	35.2
121.06474	9.5
121.10109	21.3
123.08035	11.3
123.11662	10.2
125.05968	14.6
125.09566	8.0
127.07523	11.4
129.06993	3.1
131.08562	11.3
133.10107	63.5
134.09579	2.4
135.07996	5.1
135.11717	11.2
137.09584	28.8
139.11165	5.4
141.09044	3.8
143.07010	16.4
143.08554	4.4
145.10074	12.6
147.08064	2.3
147.11662	33.8
149.09604	10.6
149.13196	11.6
151.11143	12.4
153.09068	8.0
155.10609	3.9
156.09290	2.0
157.10078	7.9
159.11647	14.2
161.09628	12.1
161.13193	3.8
163.11197	5.5
163.14818	2.4
165.12782	11.2
167.10678	5.7
171.10106	5.1
171.11577	3.4
173.13232	5.6
173.96695	2.0
175.11160	8.3
175.14809	10.3
176.98877	2.9
177.12703	5.0
179.10602	12.5
187.14781	4.3
189.12665	3.1
189.16339	9.1
191.14160	2.7
193.12274	2.4
193.15804	4.0
197.11723	2.9
199.14774	7.2
205.15807	6.4
217.15897	15.4
223.16905	4.3
235.13239	3.4
235.16866	25.4
253.08453	4.0
253.12294	2.7
253.17946	65.1
254.15410	2.3
254.18178	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	254.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01181	1.2
61.02908	7.5
63.07921	1.1
69.82401	7.9
71.01336	5.1
75.04467	15.8
87.04443	4.0
89.02393	1.9
98.98448	3.1
103.03926	16.5
118.73572	1.1
131.03337	5.6
137.96408	1.0
156.33070	1.2
159.02866	48.2
187.02327	3.1
188.92317	1.6
219.04964	100.0
220.05273	1.5
226.42842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99931	1.1
54.38770	1.1
57.03403	1.3
57.08737	1.1
60.34853	1.0
61.02917	6.8
69.03419	1.7
69.57904	5.1
69.58311	3.7
70.06572	1.2
71.01330	4.4
71.04996	2.3
71.67502	1.1
75.04467	13.6
81.03404	2.1
85.02911	1.5
87.04450	3.8
89.02383	2.4
97.02879	1.3
98.03557	1.0
98.97585	2.0
98.98427	4.7
103.03922	16.8
116.98578	1.4
127.03843	1.3
131.03355	4.8
137.05898	1.5
145.04874	1.3
157.55354	1.3
159.02856	44.0
174.06630	2.1
177.00677	1.7
187.02296	1.9
188.92325	1.7
189.00723	1.8
201.00671	1.3
208.09764	1.3
208.13229	2.0
219.04958	100.0
254.05971	5.8
254.14003	1.9
255.15761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1434
Annotation	Peyophorine
Peak:m/z	Relative Intensity
51.30031	0.2
55.05475	0.2
58.06560	0.4
69.03407	0.5
70.06575	0.6
71.06259	0.7
84.08126	1.7
85.02888	3.2
88.07618	22.9
97.02867	0.8
98.98473	1.8
105.07061	0.4
109.02847	0.4
115.03620	0.3
117.05733	0.3
117.07027	0.3
123.04365	0.4
127.03909	0.6
128.06198	0.4
131.04890	0.5
133.06476	0.5
138.97722	0.3
143.08554	1.8
145.04852	0.3
147.04314	0.4
148.05229	0.3
149.05959	0.5
159.06816	0.3
159.08025	1.0
160.05170	1.1
160.07449	0.3
160.11198	1.0
161.05978	2.7
162.05472	1.1
163.06250	0.4
164.07039	3.0
171.08031	1.9
174.06729	0.6
176.07071	0.4
177.07826	23.8
177.09058	0.9
179.10605	0.3
188.10687	2.2
189.09093	1.8
204.10262	0.6
206.11732	100.0
207.12016	1.4
250.14357	38.5
250.19925	0.8
251.14668	1.0
251.17493	0.3
252.99294	0.3
268.39893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59080	0.5
54.61436	0.5
55.01859	1.9
67.05489	1.8
69.07056	21.1
70.90829	1.4
71.64580	0.4
73.95490	0.5
76.56436	0.5
79.05482	5.4
83.04932	0.5
91.05466	20.3
95.04939	1.4
97.06513	36.0
98.98461	3.8
107.04925	1.0
109.06506	1.9
119.04922	14.4
120.05347	0.4
121.06477	0.5
132.08904	0.5
134.09610	1.0
135.04362	0.9
136.05174	1.4
137.05957	100.0
138.06297	0.6
147.04361	1.2
149.05980	1.6
159.11603	0.5
163.03908	1.5
166.30678	0.5
171.07610	0.5
189.09070	1.1
190.09386	0.6
202.49435	0.6
215.10635	1.5
233.11690	78.8
234.12106	0.6
250.11586	4.3
250.14415	7.3
250.17880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19703	0.7
53.03940	2.0
55.01866	2.1
55.05509	11.4
55.35779	0.5
57.03433	5.5
57.07074	1.1
58.67174	0.5
61.02927	7.6
67.05500	0.9
69.03426	19.3
69.03804	0.9
69.07066	1.2
69.63994	2.8
69.64416	2.1
70.06606	1.4
71.04984	2.1
73.02907	4.7
73.06552	59.8
74.53980	0.5
81.03416	5.8
81.07045	1.4
83.04983	0.8
85.02901	100.0
85.31037	0.6
87.04463	2.0
91.03960	4.7
91.05477	1.3
91.49436	0.7
95.08586	0.8
97.02886	19.9
98.06051	0.7
98.98460	24.0
99.04453	4.1
101.00888	0.9
101.02379	0.8
103.03954	1.9
105.06975	0.7
105.30407	0.6
109.02873	8.9
110.07166	3.0
112.07591	3.7
115.03918	1.6
116.99527	1.1
119.01910	1.5
120.08102	11.5
121.02867	1.6
121.06490	1.0
127.03915	21.8
131.01889	0.8
136.07648	0.6
137.05963	0.9
145.03723	1.0
145.04955	22.4
151.11037	0.6
158.06668	2.0
163.06006	4.2
167.07056	0.7
176.07700	1.4
188.07677	1.2
194.09236	1.8
195.11322	2.1
203.04037	0.8
207.03255	0.8
212.07628	7.8
230.08736	5.7
253.12372	1.8
254.15938	0.9
266.09290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55657	0.5
55.01865	0.5
55.05504	0.6
56.61037	0.4
57.03422	1.6
57.07042	0.5
57.21994	0.4
59.04995	2.2
61.02919	1.6
67.11492	0.4
69.03419	4.3
69.07048	0.5
69.32209	3.9
71.04989	1.0
73.02912	1.0
73.06544	100.0
79.05469	0.4
81.03416	1.4
81.07040	1.0
85.02894	19.0
91.03950	0.6
91.07578	7.1
93.07011	0.5
95.08598	0.6
97.02883	3.6
97.06544	0.4
98.98447	13.6
99.04446	0.8
103.03909	0.4
109.02863	2.0
110.07148	0.5
116.99463	0.4
119.08582	0.5
123.04575	0.4
127.03910	3.2
127.04741	0.5
145.04942	2.9
163.06100	0.6
170.54198	0.5
174.99228	0.5
176.99017	0.5
206.98785	0.6
219.04901	0.4
253.07204	0.6
253.11804	0.6
253.16634	1.3
259.85645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1796
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.05497	11.3
57.03430	3.4
57.07058	6.6
59.04990	5.6
67.05164	4.9
67.05498	54.5
68.78422	2.6
69.03413	5.4
69.07066	20.9
70.64745	6.4
71.04980	54.7
73.06538	3.9
79.05495	15.2
81.07052	45.7
83.04984	5.0
83.08602	8.6
85.06519	7.8
89.06005	9.3
91.05473	12.8
93.07032	40.3
94.70795	2.9
95.04961	55.2
95.08602	35.0
96.05273	2.8
97.06546	6.4
97.10169	3.8
98.97849	4.6
98.98459	67.0
99.08064	4.8
105.07018	39.9
107.04910	2.9
107.08585	56.6
109.06464	7.8
109.10139	100.0
111.08087	8.2
113.06038	3.9
117.06982	3.5
119.08570	43.0
121.06474	4.0
121.10132	47.3
123.08044	5.4
123.11674	12.9
125.09606	35.4
127.11195	9.3
131.08551	13.9
133.10121	23.6
134.15105	3.2
135.11679	26.8
137.09624	16.1
143.08537	5.7
145.10100	26.0
147.08043	10.4
147.11668	72.8
149.09605	11.2
149.13245	7.6
153.09106	3.0
153.12735	22.8
157.10126	11.0
159.11647	10.8
161.09586	6.5
161.13232	7.5
165.09125	4.5
165.12704	15.4
167.10649	5.3
173.13300	5.1
175.11148	8.0
175.14819	10.7
177.12669	4.7
189.16357	29.1
191.17950	8.3
193.15909	14.4
199.14822	6.2
207.17407	9.8
217.15854	34.2
235.16907	61.7
240.38922	2.9
253.17668	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	253.1793
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03928	3.7
55.01861	5.5
55.05505	16.7
57.03415	4.5
57.07060	6.1
58.77033	1.4
59.04980	5.8
61.02927	2.4
65.03912	1.8
67.05493	44.6
69.03434	7.6
69.07056	62.2
71.04986	9.1
71.61913	2.5
72.52679	1.5
73.06532	4.9
79.05482	26.4
81.03399	1.8
81.07045	100.0
83.04976	12.7
83.08593	4.9
85.02895	2.9
85.06528	23.7
87.04462	3.6
87.75876	1.4
91.05472	13.6
93.07031	31.5
95.04949	14.9
95.08587	28.8
95.09159	2.5
97.06514	57.0
97.10152	2.7
98.98447	28.5
99.04433	2.4
99.08079	4.7
101.05973	2.9
105.07008	34.3
107.04893	2.8
107.08576	35.8
109.02857	1.5
109.06506	12.7
109.10139	67.7
111.04468	1.7
111.08060	7.8
113.05997	12.9
115.05462	1.4
115.07545	5.8
116.99494	2.0
117.06974	3.7
119.08557	23.7
121.06494	5.1
121.10114	18.2
123.08019	7.6
123.11685	4.6
125.05953	15.3
125.09624	8.0
127.07549	7.7
127.11092	1.8
128.06194	1.6
129.06982	2.7
131.08511	8.0
133.09090	2.6
133.10107	45.2
133.11073	3.2
135.07988	3.0
135.11658	12.6
137.09576	16.3
137.13228	1.7
139.11206	7.1
141.09128	2.0
142.07784	2.7
143.07010	11.5
143.08530	5.2
143.10631	2.8
145.10063	9.5
147.08046	4.1
147.11667	25.6
149.09608	6.3
149.13235	12.6
151.07541	2.2
151.11182	8.6
153.09106	6.6
155.10603	1.6
157.10135	9.2
159.11647	12.6
161.09535	8.1
161.13263	4.8
163.11150	5.9
163.14999	1.9
165.12727	10.7
167.10672	6.0
169.10086	1.9
171.10107	3.7
171.11566	3.6
173.13261	2.6
175.11153	4.9
175.14790	9.1
177.12747	4.8
177.16295	1.5
179.10640	8.8
179.14238	1.6
187.14835	3.6
189.16399	5.5
193.08632	2.5
193.15907	3.0
199.14828	5.7
205.15855	4.2
211.16992	1.7
217.15889	12.4
223.16881	3.0
235.13240	1.6
235.16872	16.6
236.45357	1.6
253.08382	2.7
253.14172	3.2
253.17870	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1843
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
52.97494	0.3
55.05490	0.6
55.59838	0.2
57.07063	24.1
58.07403	0.3
59.04993	1.3
67.05491	0.8
69.07054	0.4
69.43152	0.4
69.43551	2.4
79.05477	0.8
81.07045	1.3
91.05466	0.7
93.07021	2.3
94.09975	0.3
95.04958	0.4
95.08578	1.1
97.06477	0.4
100.40640	0.3
105.06998	1.0
107.08560	0.9
119.08549	1.2
121.10112	1.1
129.06995	0.7
131.08542	0.9
133.06491	0.3
133.10114	1.5
135.08112	0.3
135.11632	0.4
137.05956	10.1
139.30908	0.3
140.96085	0.2
142.07764	0.3
143.08548	0.9
145.10083	0.5
147.11662	1.0
149.39253	0.3
155.08531	0.4
157.10088	0.7
159.08011	0.5
159.11690	0.4
161.09612	0.6
161.13228	0.4
163.85330	0.3
175.11150	1.3
175.14883	0.4
178.07849	0.3
179.08551	0.5
185.13155	1.5
187.14781	0.4
193.12202	42.0
194.12540	1.0
202.21028	0.3
203.14311	0.6
203.17950	1.7
205.10094	0.5
206.11349	0.4
207.11627	0.7
219.11615	0.3
231.13712	1.0
249.18448	100.0
250.18823	2.5
255.63844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1844
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03940	1.0
55.05503	12.3
57.03419	0.8
57.07053	3.3
59.04984	3.4
67.05486	3.8
68.53709	0.7
69.07059	5.9
79.05486	2.4
81.07030	7.8
83.08605	5.5
91.05453	5.0
93.07030	9.7
95.08594	20.4
96.90761	0.7
97.10172	4.7
105.07013	12.6
107.08578	17.9
109.10136	12.6
111.08099	0.9
119.08559	26.4
121.10123	13.4
123.11689	3.4
125.05996	1.3
131.08521	1.9
133.09091	1.5
133.10104	29.8
135.07982	0.8
135.11682	6.1
137.05922	1.0
139.07509	1.5
143.08539	0.9
145.10141	0.9
147.08003	1.1
147.11655	19.6
149.13222	5.1
151.07509	1.5
153.09065	8.3
157.10172	1.1
159.11694	1.1
161.09621	1.0
161.13219	7.3
163.14812	1.7
165.09135	2.6
167.10625	7.0
175.11201	0.8
175.14851	3.0
179.10635	3.7
193.12193	2.4
203.17924	100.0
204.18266	2.0
205.19495	16.3
212.96927	0.8
221.18999	7.9
231.17482	4.9
249.16086	1.5
249.18475	22.0
250.18468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
55.05504	2.7
55.14708	0.9
57.03427	11.1
59.04993	11.1
61.02930	1.4
64.14881	0.9
65.19935	0.9
67.05499	6.1
69.03419	11.3
69.05782	0.9
71.04993	1.1
71.61663	1.1
72.04505	16.2
73.02908	1.1
75.04466	4.3
79.05478	1.3
81.03403	2.6
83.04971	20.4
85.02896	16.9
87.04456	4.0
91.05474	3.6
93.07030	2.3
95.04951	2.1
97.02911	5.0
97.06514	12.2
101.05419	1.0
101.06003	4.2
103.03916	1.4
105.05512	1.7
105.06989	2.2
109.02869	1.8
111.04440	21.4
115.05431	2.2
117.05725	3.0
117.07008	2.3
118.05022	21.3
118.06521	29.8
119.04930	6.2
119.08474	1.0
121.02841	4.4
121.06509	1.6
123.04435	1.9
125.05975	17.6
127.03905	5.7
129.05473	6.9
129.07010	1.9
130.06555	1.7
131.08543	1.2
132.08073	72.8
133.06462	1.0
133.10091	1.6
142.06502	2.8
143.07037	20.2
144.04384	1.0
144.08080	18.3
145.04936	2.9
146.05995	74.1
147.04396	2.2
149.06000	2.3
157.06522	1.4
159.06526	15.2
159.08020	2.7
159.09277	1.5
160.07449	1.4
161.05962	1.8
161.09599	2.1
167.07013	4.5
170.05974	5.6
177.07817	3.3
177.11024	1.4
182.99837	1.0
185.08144	2.4
185.10843	1.1
187.07504	2.1
188.07043	100.0
189.05524	1.4
189.08977	1.7
199.09702	5.5
203.11836	5.9
203.13405	1.2
204.07976	1.3
205.10556	3.5
206.11736	16.4
217.10638	8.9
238.03351	1.1
249.07515	3.0
249.12225	22.5
249.19688	9.7
250.14525	5.7
256.13821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.8
55.01862	1.5
55.05509	1.9
57.03425	7.0
59.04994	8.9
61.02888	0.9
67.04691	0.7
67.05488	3.7
69.03420	9.3
70.95572	1.0
70.95929	2.3
71.04984	1.3
72.04099	0.9
72.04498	18.3
73.02877	1.5
75.04471	2.6
77.13101	0.9
79.05447	2.0
81.03409	1.6
81.07044	1.1
83.04971	12.6
85.02886	12.6
87.04453	3.3
91.05466	3.5
93.07034	1.1
95.04920	2.0
95.94012	0.8
97.02851	1.7
97.06499	10.0
99.04481	0.8
101.06001	4.7
102.32665	0.8
103.03918	1.3
105.05544	0.8
105.07013	1.8
107.42058	0.8
109.02812	1.0
111.04417	15.5
115.05445	1.6
117.05748	2.4
117.07011	2.0
118.05004	19.2
118.06513	27.5
118.07339	1.6
119.04923	7.6
119.08533	0.8
121.02850	3.9
121.06483	1.5
123.04353	1.2
125.05963	13.3
127.03888	2.5
129.05457	3.4
129.06981	1.5
130.06490	1.3
131.08549	1.9
132.08064	72.4
134.04918	0.8
137.05911	0.9
141.06927	1.0
142.06499	2.4
143.07025	20.4
144.08052	17.2
145.04918	2.5
146.05977	74.8
147.04379	0.9
149.06006	2.2
159.06526	12.4
159.07909	1.6
160.07558	1.0
161.05852	1.2
161.09673	1.3
167.06970	6.5
170.05968	5.2
170.07295	1.2
177.07820	1.6
177.11192	0.9
185.08104	1.5
185.26173	0.9
188.07024	100.0
189.07344	2.6
199.09662	3.8
200.09943	1.0
203.07045	0.9
203.11830	5.4
206.11719	6.4
217.10666	8.0
224.67982	0.8
249.07617	1.3
249.08388	1.7
249.12454	27.3
249.19565	5.2
250.14580	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1117
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
50.70043	0.4
62.55430	0.4
69.41139	2.9
69.41550	1.6
77.38178	0.5
81.03414	0.7
91.05463	4.7
97.06486	0.6
98.21508	0.8
103.05470	0.8
104.11320	0.5
105.03407	0.9
105.07029	2.4
107.04926	1.5
115.05408	3.2
116.06197	2.4
117.07028	2.5
119.04872	0.8
128.06192	6.4
129.06989	15.0
130.07776	0.8
131.04887	1.0
131.08551	14.0
132.05658	1.0
133.06450	2.0
133.10074	1.2
139.05379	0.6
140.06242	0.5
141.05930	0.7
141.06960	6.6
142.07780	3.1
143.08527	3.1
144.05673	7.8
145.06467	4.6
146.07249	2.7
147.04387	1.4
147.07883	0.4
153.06972	1.3
155.06044	0.9
156.05682	1.3
157.06468	8.4
158.07242	1.8
159.08022	22.2
160.05138	1.2
161.05946	2.5
161.09592	5.7
164.15477	0.5
167.07014	0.8
169.06367	1.1
169.07582	2.0
170.07227	6.2
171.04410	1.0
171.08025	5.5
172.05173	2.9
173.05937	3.4
174.06683	2.3
175.07510	1.8
178.06181	0.8
184.05122	0.7
186.06779	0.8
187.07515	13.6
188.08257	0.8
189.05414	2.0
189.09053	5.8
190.06125	1.1
191.06937	1.2
193.08566	0.8
198.06680	1.8
199.07529	2.6
201.05423	1.2
203.07028	4.7
204.07777	10.8
205.08513	1.4
206.09384	0.9
216.07808	3.2
217.08540	1.2
218.09381	1.8
219.10158	1.3
221.11726	2.7
231.10127	5.1
233.11681	0.5
234.08792	0.6
249.11179	100.0
250.11581	0.9
266.66144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1118
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
53.03930	0.9
63.52549	0.4
69.03412	1.8
70.06217	2.2
79.05476	1.3
81.03408	5.9
91.05475	4.8
93.07068	0.4
95.04942	0.9
97.02876	1.5
99.04419	0.5
103.05463	1.2
105.03376	10.7
105.07011	1.8
107.04946	1.3
109.02874	2.5
111.02876	0.4
115.05445	3.0
116.06204	1.8
117.07027	1.9
121.06480	0.5
123.04401	1.2
126.91200	0.4
127.03892	0.5
128.06201	6.0
129.06018	0.8
129.06987	15.3
130.07753	0.7
131.04915	1.5
131.08548	13.8
132.05696	0.7
133.06474	2.2
133.10094	1.2
141.06961	6.4
142.07764	2.8
143.04886	0.4
143.08559	2.2
144.05687	7.0
145.06461	4.2
146.03635	0.4
146.07300	2.5
147.04402	0.7
147.08009	0.7
152.06110	0.5
153.06979	1.8
155.06010	1.0
156.05681	1.2
157.06480	6.2
158.07263	1.5
159.08037	24.1
160.05145	0.8
160.08768	0.5
161.05925	2.5
161.09593	5.2
167.07037	1.3
169.06425	1.3
169.07718	1.8
170.07242	5.9
171.04398	0.9
171.08025	5.9
172.05124	2.0
173.05981	3.2
174.06740	1.8
175.07565	2.2
177.05368	0.4
178.06224	0.8
179.11499	0.4
184.05203	0.4
185.06003	0.6
186.06715	0.9
187.07510	12.9
187.09142	0.8
188.08241	0.7
189.05444	2.6
189.09077	7.3
190.06238	0.6
191.07066	1.1
193.08495	0.7
198.06740	1.5
199.07556	2.7
201.05412	1.2
203.07033	4.7
204.07785	9.8
204.09564	0.7
205.08604	1.7
206.09323	1.0
216.07793	3.1
217.08640	0.8
218.09502	1.2
219.10097	1.3
221.08058	1.0
221.11667	2.8
231.10126	5.4
234.08801	0.9
249.07175	2.5
249.11192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1117
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03922	0.7
59.04980	0.4
60.95675	0.3
67.05479	1.1
69.03410	1.4
70.76815	0.7
70.77150	0.6
79.05460	1.1
81.03394	3.3
81.07012	0.8
85.02895	1.1
91.05464	5.3
93.07024	1.4
95.04947	1.1
97.02891	1.9
97.06528	2.1
99.04453	0.5
103.05396	0.5
104.79681	0.4
105.03374	5.7
105.07015	2.5
107.04940	1.7
107.08560	1.0
109.02872	2.0
109.06497	0.4
113.44189	0.3
115.05440	3.2
116.06216	2.0
117.07019	2.0
118.07781	0.5
119.04928	0.6
119.08601	0.8
121.06449	0.5
121.10131	0.4
127.03893	1.0
128.06200	5.6
129.06981	15.5
130.07779	0.9
131.04877	1.4
131.08542	14.5
132.05640	0.9
133.06485	2.5
133.10104	1.7
137.05936	1.2
140.95549	0.4
141.06963	6.4
142.07742	3.7
143.04904	0.6
143.08531	3.1
144.05681	6.9
145.06454	4.9
145.10136	0.8
146.07227	2.9
147.04388	1.1
147.08060	0.5
147.11658	0.6
152.06152	0.9
153.06946	1.6
155.05997	0.9
156.05684	1.9
157.06483	7.9
157.10068	0.5
158.07227	2.2
159.08025	23.1
160.05188	0.8
161.05966	2.3
161.09596	5.9
167.06966	1.0
169.06392	1.1
169.07620	1.9
170.07245	6.4
171.04350	0.9
171.08022	5.2
172.05141	2.1
173.05948	3.6
174.06714	1.6
175.07455	2.6
177.05472	0.6
178.06279	0.5
181.06395	0.4
184.05208	0.6
185.05959	0.8
186.06657	0.5
187.07510	16.3
188.08221	1.0
189.05432	2.6
189.09079	7.3
190.06267	0.8
191.06973	1.3
193.08516	0.5
198.06726	1.4
199.07460	2.0
201.05399	1.5
203.07002	4.8
203.10397	0.4
204.07785	10.1
205.08583	1.9
206.09331	0.9
207.10139	0.5
210.50517	0.5
216.07767	2.9
217.08554	0.7
218.09392	1.1
219.10106	1.8
221.08148	0.5
221.11668	3.0
231.10175	5.8
231.13809	1.0
233.11641	2.3
234.08749	1.0
249.11179	100.0
250.11642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28902	3.3
53.06795	3.4
70.88824	10.0
76.64798	3.6
80.26322	3.7
84.43884	3.6
94.93003	19.2
119.01852	3.3
121.51141	3.9
142.37743	3.1
150.30411	3.4
206.88652	6.2
241.37347	3.3
248.89696	8.0
249.03664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99862	0.8
63.07785	0.5
69.14610	0.5
70.47565	1.4
70.99802	0.6
73.02900	0.6
77.00904	0.7
78.94252	0.4
82.99376	0.5
82.99775	2.6
85.01447	0.6
89.00842	0.8
101.00864	30.8
103.02429	1.4
113.00843	1.6
115.02406	0.6
119.01904	100.0
120.02051	0.6
121.03504	0.8
127.02409	1.6
131.01886	9.1
133.03415	0.9
137.02940	22.0
142.03485	1.6
143.01877	14.6
145.03445	13.0
147.01390	1.5
149.02953	2.2
155.01892	0.5
157.03441	3.2
159.01372	11.2
161.02931	52.9
163.04515	1.9
171.01332	4.3
173.02950	3.6
175.04501	1.6
177.02428	18.5
179.03995	2.2
184.04575	1.1
189.02423	51.2
190.02498	1.0
191.03999	5.1
195.03403	0.7
195.38060	0.6
200.04030	0.5
201.02425	5.9
203.03972	0.9
207.03477	18.6
212.03970	1.1
215.27122	0.4
218.99161	0.6
219.03470	7.1
230.05069	0.9
231.03516	2.3
237.04562	0.8
249.04536	34.1
267.05600	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	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03939	0.5
59.04972	0.9
66.88140	0.5
67.05482	0.6
68.49215	0.4
69.03405	2.0
69.52755	1.9
69.53181	1.8
71.04980	0.6
79.05450	1.2
81.03404	3.0
81.07050	0.5
85.02868	0.9
91.05467	5.3
93.07038	0.8
95.04936	0.8
97.02863	1.6
97.06519	2.4
98.21503	0.6
103.05428	0.7
105.03379	6.8
105.06995	2.8
107.04942	1.5
109.02830	1.9
109.06515	0.5
115.05429	3.0
116.06204	2.2
117.07021	2.4
119.04965	0.7
119.08553	1.0
123.04398	0.9
127.03908	1.0
128.06207	6.4
129.06989	14.3
130.07802	0.5
131.04897	1.0
131.07568	0.7
131.08553	13.5
132.05746	0.6
133.06473	2.1
133.10104	1.1
137.05957	1.7
141.06981	7.3
142.07741	3.4
143.08528	2.7
144.05701	6.1
145.04822	0.4
145.06458	4.0
146.07243	2.7
147.04384	1.3
147.08038	0.5
151.03876	0.5
152.06111	0.7
153.05467	0.5
153.06964	1.7
155.05995	1.0
156.05661	1.6
157.06465	7.0
158.07204	1.5
159.08040	21.4
160.05261	0.6
161.05960	2.8
161.09595	5.7
167.07016	0.5
169.06435	1.3
169.07617	1.5
170.07260	6.5
171.04391	0.8
171.08038	4.2
172.05161	1.9
173.05946	4.0
174.06758	1.5
175.07516	2.6
185.05956	0.8
186.06697	0.7
187.07518	14.8
188.08258	1.0
189.05441	2.6
189.09062	6.5
191.07016	1.0
192.07782	0.7
193.08595	0.6
198.06737	1.7
199.07434	2.1
201.05481	0.7
203.06998	4.6
204.07799	10.9
205.08501	1.3
206.09367	1.3
216.07777	3.0
217.08492	0.9
218.09322	1.3
219.10130	1.9
221.08093	0.9
221.11722	2.2
231.10109	5.1
233.11708	2.9
234.08768	1.0
249.11188	100.0
250.11540	1.0
250.14293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1688
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03936	1.3
55.05502	8.7
57.07050	2.8
59.04990	0.8
67.05493	5.9
69.07061	6.2
70.77857	2.1
79.05483	4.6
79.66501	0.7
81.07049	7.2
83.08615	5.2
91.05458	12.3
91.22853	0.7
93.06467	1.3
93.07029	20.0
95.04959	1.0
95.07976	1.0
95.08585	18.6
97.10127	1.9
99.04433	1.1
100.05710	0.7
103.05433	0.7
105.07014	31.0
107.04932	0.9
107.07851	1.5
107.08575	25.9
109.06484	2.0
109.10154	6.1
111.08055	1.4
115.05402	1.4
116.06210	1.4
117.06988	5.6
119.08562	41.7
121.06461	0.8
121.10114	8.1
123.11708	1.6
125.05989	1.0
129.06996	1.3
130.07813	1.6
131.07558	1.6
131.08548	27.9
133.10109	60.0
135.08035	2.5
135.11627	1.7
139.07503	2.5
143.08534	2.4
144.09277	2.4
145.06508	1.4
145.10098	36.6
146.82727	0.8
147.11681	7.6
149.05945	1.6
149.09624	3.6
149.13240	1.0
151.07477	3.6
153.09074	2.0
157.10095	3.3
159.08096	3.7
159.11673	29.3
159.13025	1.6
161.09613	1.1
161.13232	7.6
163.07529	6.5
165.09055	3.4
171.11662	1.8
172.12430	2.0
173.09630	4.5
173.13237	15.7
175.03918	1.5
175.07547	0.9
175.14771	2.6
177.09070	36.2
177.10640	1.8
177.16431	0.9
178.09340	0.8
179.10666	1.2
185.13177	0.8
186.13992	1.7
187.11166	3.5
187.14784	2.5
191.10605	4.9
201.16347	100.0
202.16730	1.1
203.17944	10.0
205.12109	1.0
211.14796	1.9
219.17389	5.0
229.12326	0.8
229.15851	15.4
229.19405	1.2
247.09668	0.8
247.16893	38.1
247.24324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64222	0.3
50.85382	0.3
51.93291	0.3
53.03942	2.1
55.05500	0.5
55.51120	0.3
56.73032	0.3
64.01705	0.3
65.65531	0.5
66.12794	0.3
66.34528	0.4
67.05479	0.6
69.03419	3.1
69.07060	1.1
69.64679	1.8
69.65086	0.9
71.04986	0.8
75.67719	0.3
79.05478	1.6
80.05023	2.1
81.03406	10.6
85.02880	0.8
86.09680	1.5
90.12825	0.3
91.05460	1.0
94.06554	5.0
95.04955	1.7
95.07336	10.0
97.02882	2.8
97.48389	0.4
98.06010	0.4
99.04431	1.0
105.03378	20.7
105.06982	0.5
106.04173	0.5
106.06569	0.5
107.04926	0.5
108.04471	2.8
109.02875	5.2
115.05447	0.5
116.03379	0.5
122.06012	22.5
123.04418	1.8
123.06796	21.2
123.07761	0.3
125.06064	0.3
125.87886	0.3
127.03901	1.4
128.06180	0.8
129.06985	2.0
131.08565	2.0
133.10083	0.4
134.04477	0.6
134.05994	0.8
141.07008	0.6
144.05687	0.7
145.06567	0.4
147.04375	0.4
150.05487	24.6
151.06264	100.0
152.07071	2.0
157.06503	0.7
159.08018	2.8
161.05977	0.8
161.09563	0.9
170.07433	0.5
171.08028	0.8
172.05284	0.4
173.05986	0.6
175.07442	0.4
184.09656	0.5
187.07503	1.8
189.05588	0.5
189.09076	1.4
201.05540	0.4
202.10724	2.2
202.12325	0.8
203.06978	0.6
203.10625	0.4
204.07822	1.2
204.10219	1.4
212.98380	0.5
220.13301	1.1
230.11888	0.6
231.10139	1.3
248.12788	48.1
249.07552	7.4
249.11194	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05502	10.2
57.07053	5.1
61.31806	1.5
67.05481	6.6
69.03401	2.0
69.07057	8.1
71.63007	2.4
79.05476	4.5
81.03395	1.6
81.07052	11.0
83.04966	2.6
83.08620	5.2
91.05467	15.3
93.07037	24.2
95.04972	2.8
95.08584	25.4
97.10152	2.7
98.71747	1.4
98.98443	18.5
101.15382	1.5
105.07021	33.8
106.41919	1.5
107.08578	28.4
109.06508	3.0
109.10151	7.5
117.07017	6.9
119.08572	49.8
121.06503	1.9
121.10139	14.4
123.11760	1.8
125.05979	2.1
129.07045	2.2
130.07751	1.9
131.08551	34.3
133.10118	63.4
135.08041	4.1
135.11690	2.8
137.13231	2.4
139.07487	3.3
143.08575	4.0
144.09300	2.5
145.06421	2.3
145.10106	41.0
147.11652	12.9
149.06020	3.0
149.09604	4.9
151.07515	4.6
157.10135	4.6
158.10825	2.1
159.08034	5.1
159.11674	37.4
161.09598	1.7
161.13248	10.9
163.07512	8.9
165.09081	3.3
171.11646	2.0
172.12483	2.7
173.02087	5.6
173.09648	5.8
173.13225	21.6
175.03903	5.1
175.07524	1.6
175.14771	3.0
177.09090	43.2
179.10565	2.7
183.11633	2.4
185.13174	2.5
186.13969	2.6
187.11150	4.4
187.14842	4.1
191.10626	6.0
196.97972	1.3
197.37128	1.4
201.16359	100.0
203.17899	14.6
205.12250	2.8
219.17293	3.3
229.08618	1.9
229.12248	2.5
229.15868	16.4
229.19437	2.6
247.05910	3.1
247.09605	1.6
247.16893	36.3
247.20697	4.0
247.24489	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	247.1688
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.31009	1.1
55.01857	2.2
55.05506	17.8
56.96558	1.2
57.07071	2.3
59.04970	1.4
67.05498	8.7
69.07056	9.4
71.04978	1.6
71.08628	1.8
71.62589	2.2
79.05480	21.4
81.07039	15.0
83.04977	2.4
83.08604	5.8
85.13269	1.2
86.53822	1.3
91.05466	16.5
92.49886	1.2
93.07030	26.4
95.04955	3.0
95.08586	22.1
97.06517	1.7
97.10157	4.9
98.98439	2.8
105.07012	28.5
107.04935	17.8
107.08577	29.1
109.06495	3.5
109.10153	10.8
111.08073	1.5
117.07011	7.9
117.31067	1.2
119.08560	36.3
121.06517	2.4
121.10128	13.3
123.08047	1.8
123.11672	2.7
125.09608	1.6
129.06987	1.9
130.07762	1.9
131.08545	27.0
133.06514	1.6
133.10104	53.7
135.08028	1.9
135.11671	3.0
139.07542	3.2
140.90977	1.2
143.08571	2.8
144.09225	1.5
145.06459	2.6
145.10097	30.5
147.08008	1.5
147.11674	8.5
149.05888	1.8
149.09599	47.5
149.13263	2.0
151.07521	2.6
157.10110	3.5
159.08031	3.1
159.11668	28.7
161.09563	1.3
161.13225	6.5
163.07553	6.4
163.11133	3.1
171.11589	1.9
172.12424	1.8
173.09604	4.5
173.13242	13.0
175.03830	2.6
175.14769	2.8
176.04617	1.4
177.09074	23.6
177.12685	1.7
179.10561	1.4
180.93440	1.2
183.11661	1.9
185.13232	1.7
186.14050	1.8
187.11136	4.3
187.14798	2.7
189.16483	1.5
191.10579	6.1
201.12674	4.1
201.16345	100.0
203.17905	9.1
219.17395	3.5
229.08461	1.6
229.12285	2.1
229.15892	14.3
229.19452	5.4
231.48401	1.4
247.13127	2.7
247.16905	37.9
247.20551	62.9
247.24370	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	247.1688
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03928	1.2
55.05256	0.9
55.05499	10.9
57.03412	0.6
57.07064	3.4
58.76482	0.6
59.04985	1.2
64.79926	0.7
67.05494	6.5
69.06764	0.6
69.07065	6.9
71.62776	0.9
79.05482	5.5
81.07040	9.9
83.08608	5.6
91.05460	16.0
93.06461	1.5
93.07025	23.0
95.04976	1.1
95.08590	21.5
97.10127	2.4
99.04420	1.5
103.05434	1.6
105.06296	1.0
105.07011	32.0
107.08572	34.3
109.06496	2.2
109.10139	8.7
111.08072	0.8
115.05386	1.4
116.06232	1.0
117.06992	7.4
119.08559	52.7
121.06506	1.1
121.10127	10.4
121.27631	0.7
123.08033	1.3
123.11673	2.0
125.05950	1.1
125.09595	1.4
129.06944	1.6
130.07756	2.1
131.08546	37.0
133.10106	74.3
135.04375	0.9
135.08049	3.9
135.11674	1.7
137.13235	1.5
139.07541	3.3
141.07028	0.7
143.08516	2.6
144.09296	2.0
145.06447	1.6
145.10094	38.4
147.11662	9.7
149.05965	2.4
149.09575	5.4
149.13292	0.9
150.19926	0.7
151.07573	4.4
153.09084	2.2
155.08327	0.8
157.10094	4.9
158.10947	1.3
159.08043	5.1
159.11664	40.8
161.09671	1.4
161.13228	9.3
163.07500	9.4
163.11156	0.8
165.09109	4.4
169.10187	0.8
171.11667	2.1
172.12427	2.5
173.09610	5.3
173.13223	17.5
175.03886	1.5
175.07507	1.5
175.14799	2.9
177.09079	45.6
179.10626	2.3
183.11673	0.9
185.13298	1.0
186.14014	1.9
187.11162	4.3
187.14787	3.1
189.16382	0.9
191.10619	5.9
201.16347	100.0
202.16701	1.3
203.17903	14.3
205.12233	1.7
211.14799	2.4
219.17406	4.2
219.19260	0.8
229.15823	18.6
229.19383	1.0
247.13123	1.5
247.16890	36.0
247.20525	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1689
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03934	1.2
55.05507	7.8
57.07048	2.2
58.11237	0.7
59.05009	0.8
67.05504	4.9
69.03407	1.0
69.07058	6.3
79.05479	6.0
81.07048	8.1
83.04954	1.0
83.08595	3.1
91.05468	10.3
91.88628	0.7
93.07034	14.3
95.04958	1.2
95.08587	13.3
97.06488	0.9
97.10147	2.1
99.04468	0.8
99.08025	0.7
105.07020	23.5
107.08582	20.7
109.06494	2.7
109.10158	6.1
113.20944	0.7
117.07004	5.3
119.08567	34.0
121.06481	1.5
121.10126	7.3
123.08015	1.3
123.11723	1.7
129.06966	2.2
130.07773	1.0
130.62399	0.7
131.08546	22.3
133.10114	47.0
133.31363	0.8
135.08040	2.1
135.11609	1.4
137.13234	1.3
139.07532	1.5
143.08536	2.6
144.09332	1.8
145.06436	1.1
145.10107	31.8
147.07986	1.3
147.11667	7.9
149.05978	2.0
149.09575	2.3
149.13264	1.1
150.03944	0.8
151.07524	3.0
153.09055	1.2
157.10144	2.8
158.10944	0.8
159.08028	3.5
159.11670	27.6
159.31750	0.8
161.09596	1.3
161.13191	5.4
163.07524	5.2
163.11203	0.9
165.09088	2.5
169.10036	1.2
171.11632	1.8
172.12442	1.9
173.09700	3.8
173.13235	12.5
175.03902	2.2
175.07532	1.0
175.14758	2.1
177.09100	27.7
179.10687	1.8
183.11684	1.4
185.13280	1.0
186.13982	1.2
187.11163	3.8
187.14758	2.6
191.10583	3.7
201.16360	100.0
202.16701	1.0
203.17947	9.6
205.12196	1.4
211.14795	1.7
219.17380	4.5
229.08737	0.8
229.15854	13.5
247.09593	1.6
247.16910	40.8
247.20578	2.2
257.08295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1326
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03925	4.6
55.01857	2.4
55.05485	3.5
56.24718	1.1
57.07066	10.6
58.79601	1.1
59.37561	1.2
65.03918	3.5
67.05476	4.5
69.03422	15.8
70.73707	2.4
70.74086	2.2
70.81816	1.3
71.04971	1.2
78.70572	1.1
78.93984	0.9
79.05478	7.6
79.22955	1.1
81.03381	2.9
81.07043	10.5
83.04972	18.6
85.02879	3.4
85.06526	2.9
91.05466	19.4
93.03396	4.7
93.07032	16.1
95.04978	7.2
95.08585	3.1
97.02901	7.7
97.06494	2.2
105.07011	14.8
107.04945	1.3
107.08584	15.0
109.02863	21.4
109.06503	14.0
109.10120	2.8
111.04413	5.2
115.05424	2.3
117.07011	8.8
119.07766	2.0
119.08562	19.4
121.02856	13.7
121.06484	17.6
121.10132	6.1
122.07305	1.6
123.08023	1.6
123.11710	1.2
127.03880	4.8
128.06158	3.1
129.06956	5.8
130.07744	2.9
131.08540	17.2
132.05673	1.8
133.06441	1.3
133.10110	11.4
135.08038	27.3
135.11638	1.7
137.05949	5.1
137.09579	3.8
139.03870	2.0
141.06961	3.1
142.07776	2.9
143.08569	10.1
144.09326	11.0
145.02701	1.2
145.06439	8.6
145.10107	12.4
147.08020	4.7
149.05888	1.7
149.09608	23.8
150.10341	2.9
151.11140	4.3
153.06886	2.1
153.09018	1.9
155.08476	5.8
157.06433	1.9
157.10088	4.7
158.07224	2.6
158.10878	13.1
159.08022	11.5
159.11682	29.3
160.08833	2.8
161.09569	4.3
163.07536	20.3
163.11130	3.0
165.09106	2.4
168.09305	4.9
169.10078	3.5
170.10852	4.5
171.08040	8.2
171.11618	1.7
171.93520	1.3
172.08821	15.0
173.05977	1.8
173.09601	27.2
173.13240	42.1
175.07448	1.4
175.14694	1.4
177.05391	2.3
177.09079	1.6
181.06458	2.7
183.11713	8.9
185.09552	1.4
185.13246	2.5
186.10373	18.5
187.07681	5.5
187.11154	100.0
188.11565	1.7
189.09091	2.6
191.07040	21.6
196.08833	3.3
199.07512	1.7
200.88768	1.4
201.12715	62.3
203.14247	1.4
205.12247	8.5
211.11172	10.0
214.09911	2.7
217.08510	1.5
219.13737	6.1
229.12210	71.8
229.19470	2.0
247.06004	3.6
247.09447	3.8
247.13254	69.5
247.17146	4.0
248.13510	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.5
55.01854	7.5
55.05495	12.6
56.05021	4.6
56.96560	13.4
57.03427	15.3
57.07061	12.9
58.53861	2.1
61.02923	13.9
65.03923	3.5
67.05494	28.0
69.03417	59.4
69.07052	8.3
69.30364	15.6
69.30789	6.3
70.06567	5.7
70.43850	1.8
71.01348	3.6
71.04977	9.0
72.08143	100.0
72.93777	1.8
73.02909	11.6
78.86694	1.9
79.05473	13.1
81.03407	31.3
81.07041	16.6
83.04969	23.7
84.04489	64.0
84.08131	8.5
85.02892	96.9
85.06530	67.0
86.09682	11.6
87.04443	4.8
88.03994	4.8
91.03980	2.9
91.05476	17.6
91.55338	1.8
93.07022	12.3
95.04947	23.4
95.08607	8.0
97.02879	33.3
97.06506	12.6
98.97551	3.8
99.04430	14.7
100.07600	5.9
101.00288	2.9
101.00861	11.1
101.02326	3.3
102.05531	4.1
103.00583	2.8
103.02465	2.4
103.03918	8.9
103.05416	2.6
105.07005	8.5
107.04920	11.8
107.08551	3.4
109.02859	20.0
109.06473	11.1
111.04419	7.4
111.08087	3.2
112.07578	12.7
113.05975	6.8
115.03923	4.6
116.98600	2.3
117.07007	3.7
118.08638	63.1
119.01902	34.0
119.04918	4.3
119.08557	8.8
120.01981	6.6
121.01617	11.4
121.02838	16.3
121.06475	11.0
123.04426	5.9
123.08038	6.3
125.05968	8.5
127.02390	2.4
127.03893	38.0
129.06984	5.9
130.04987	10.1
130.08586	17.5
131.01892	6.7
131.08586	6.3
132.10149	2.4
133.01675	3.2
133.03404	3.2
133.06474	2.5
134.99666	2.2
135.08058	8.1
137.02908	6.3
137.05974	5.8
137.09607	3.4
139.02649	6.1
139.07498	2.6
143.01886	8.4
143.07076	2.2
143.08487	3.6
144.05307	2.7
144.98027	2.3
145.01674	3.4
145.03510	4.3
145.04941	22.7
145.06075	3.0
146.99585	2.9
147.03198	3.0
147.04289	4.4
147.08028	8.6
148.06067	3.5
149.05864	2.9
151.03952	1.9
151.07527	6.8
153.05565	7.9
156.10165	6.6
157.03439	8.2
158.03548	4.8
159.03226	5.0
159.08023	2.7
159.11751	2.7
161.01581	3.2
161.02914	18.8
161.04230	2.4
162.03061	3.0
162.99185	5.2
163.02669	6.9
163.03836	2.6
163.07498	10.2
166.11391	2.2
167.07059	6.7
168.07755	2.4
171.06496	2.5
173.02904	6.4
174.09172	2.7
174.99138	2.2
175.02621	3.7
175.04134	7.7
175.07538	2.6
176.04562	2.3
176.10692	4.5
177.04175	2.8
181.08426	2.4
183.11595	2.9
184.09692	19.1
185.02986	4.9
185.06566	2.2
187.00897	4.3
187.02705	5.3
187.04440	4.4
187.07579	3.5
187.11107	4.6
188.07761	3.0
189.09186	2.7
193.08591	6.1
197.05609	2.0
199.02821	2.8
201.02446	5.9
201.09079	2.0
201.12383	5.4
203.03989	5.4
203.11118	6.0
204.10158	3.6
205.00154	3.2
205.03772	4.2
211.09642	6.2
212.07599	11.8
215.00351	4.9
215.06610	3.9
218.08093	2.7
219.03412	3.1
221.05013	8.6
223.01262	11.3
223.04712	4.9
223.06734	2.8
224.04163	3.7
224.06558	4.1
229.08604	3.6
229.10435	3.5
229.12404	3.3
230.08186	3.4
230.10219	11.3
232.03624	2.8
242.07938	3.1
245.05048	6.8
247.04727	13.0
247.06920	14.8
247.09895	4.2
247.12944	31.3
247.18343	6.4
248.03137	3.0
248.12856	4.8
265.07742	4.1
267.07495	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01853	1.3
55.05500	6.0
56.05032	0.8
56.96552	2.9
57.03418	3.4
57.07048	0.9
59.04985	1.2
61.01148	0.9
61.02908	3.2
67.01839	1.4
67.05499	2.0
68.99778	0.7
69.03419	41.9
69.07050	2.9
69.27319	0.7
69.64783	0.8
69.66083	0.6
70.06587	2.3
71.04980	4.6
71.62380	1.2
72.08146	50.8
73.02903	2.0
73.06554	0.7
74.06073	0.7
78.06207	0.7
79.05463	1.9
81.03407	22.0
81.07050	1.5
83.01338	1.9
83.04967	2.8
84.04488	5.3
84.08115	1.3
85.02895	35.1
85.06528	6.1
86.09698	6.5
87.04463	1.6
88.03983	5.1
91.05468	2.3
93.07029	2.3
95.04963	2.2
95.08619	1.1
97.02880	14.0
97.06530	1.2
98.02454	1.2
98.97574	2.0
99.04441	10.4
100.07577	1.4
102.05518	3.2
103.03932	12.1
103.05478	0.9
104.05304	0.8
105.07050	1.3
109.02866	32.4
110.02399	1.4
111.04398	1.1
112.07581	1.1
113.05986	3.2
115.03910	1.2
116.07047	1.0
116.98603	2.3
118.08589	1.8
119.01893	1.4
121.02851	8.8
121.06483	1.5
123.04401	1.5
124.03883	0.8
127.03902	100.0
128.04225	0.9
128.98653	0.9
129.05502	1.1
130.04964	2.5
130.06610	0.9
131.08568	1.2
132.10194	3.0
133.06439	0.7
137.05927	1.2
139.03902	2.1
141.05443	3.9
141.06990	1.0
143.08414	0.9
145.04918	4.8
146.99736	0.9
147.04366	1.3
148.06033	8.5
153.01828	1.1
156.10280	0.8
159.08044	1.1
159.11674	1.0
161.05948	1.0
162.99071	1.0
163.02739	1.1
163.03915	3.8
164.04309	1.0
166.08687	1.1
169.04958	11.9
169.06355	1.5
172.07564	1.1
173.08057	2.1
173.09479	0.8
175.03893	3.7
183.11806	0.9
184.07602	2.0
187.06000	9.1
187.07510	1.3
187.10948	1.6
189.09018	0.8
193.08655	1.0
193.63121	0.7
200.07043	2.9
201.00690	1.2
201.12404	3.9
201.16188	1.1
202.10710	0.9
203.10983	1.6
203.96591	0.7
212.09145	1.6
214.02573	1.5
215.07146	0.8
217.05316	0.8
218.08063	3.9
223.01329	0.9
229.05055	1.2
229.08775	1.0
229.12086	1.3
230.08173	3.7
232.03677	3.2
236.07156	0.8
246.57388	1.1
247.05994	9.6
247.10127	3.5
247.12772	3.6
247.18213	3.6
247.20491	1.1
247.23866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
53.64980	0.7
55.01862	7.3
55.05487	1.1
57.03413	2.5
57.07055	4.0
61.02903	2.5
65.03904	1.1
67.05489	1.9
69.03416	20.2
69.07054	1.0
71.04976	7.0
71.62436	1.3
79.05462	2.4
81.03402	42.5
81.07033	4.0
83.04970	1.0
83.45505	0.8
85.02880	7.9
85.06541	1.8
85.24473	0.8
87.07043	0.9
91.05462	6.9
93.07017	2.3
95.04940	2.6
95.08585	1.8
97.02872	26.5
98.97623	0.9
99.04436	34.4
99.05088	1.9
103.03927	1.4
105.07008	3.5
107.08603	1.8
109.02856	77.9
109.06503	1.8
109.10152	1.6
111.04408	1.2
115.03910	17.1
117.06962	1.6
119.04886	1.1
119.08561	2.3
121.02849	15.0
121.06352	0.8
121.10072	1.1
125.09661	0.8
127.03889	100.0
129.06975	1.4
131.08543	3.1
133.10104	1.7
134.41954	0.8
135.08014	1.3
143.08542	1.4
144.05656	0.9
145.04977	1.2
145.06389	1.2
145.10107	2.6
147.04349	1.1
147.11649	1.2
151.07457	1.6
155.08577	1.1
157.10149	1.0
159.08014	3.7
159.11667	2.1
161.05899	0.9
163.03867	1.1
169.04987	6.7
169.10147	1.3
173.09607	1.3
173.13277	1.2
175.03896	1.2
177.09059	1.1
183.11723	1.4
187.05983	12.1
187.07469	1.7
187.11148	2.8
189.05397	2.0
201.05385	1.2
201.12703	1.2
201.16339	1.2
211.11053	1.6
215.06981	1.0
217.08656	1.8
227.05630	0.9
229.04933	1.4
229.08781	1.3
229.12178	5.6
238.20396	0.9
247.05795	5.0
247.09747	5.2
247.13208	8.5
247.16913	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	245.1897
Annotation	(-)-Falcarinol
Peak:m/z	Relative Intensity
55.05509	6.2
56.21991	0.9
57.03411	1.6
57.07062	3.0
61.94913	1.2
67.05495	8.4
69.07044	5.3
69.56944	4.1
69.57369	4.4
71.04977	1.4
71.08636	1.4
79.05489	6.3
81.07046	11.7
83.08600	2.6
87.04446	2.2
91.05470	8.7
93.07030	13.9
95.04939	2.1
95.08592	41.3
97.06449	1.1
97.10166	1.8
105.07015	16.4
107.08578	15.0
109.06492	1.2
109.10149	11.9
110.92561	1.0
111.08053	6.2
113.09629	2.1
115.03911	2.8
117.06994	2.8
119.08566	16.6
121.06451	1.5
121.10126	13.9
123.11693	3.1
125.09623	3.0
128.06169	1.5
129.07001	5.0
130.07750	1.6
131.08540	11.1
133.10115	27.5
135.08014	1.4
135.11665	5.6
137.09578	2.9
139.11153	1.4
142.03183	1.6
142.07814	3.4
143.08531	9.9
145.10092	18.4
147.11676	10.5
149.09587	2.8
149.13277	1.6
151.11183	1.4
156.09396	1.6
157.10107	9.8
159.11650	10.8
161.09624	1.9
161.13222	19.9
163.11150	1.8
164.81198	1.1
169.10149	5.1
171.11664	14.8
172.12405	1.2
173.13258	5.1
175.11217	5.2
183.11678	3.8
184.12410	3.6
185.13243	14.5
187.14806	14.0
189.16365	9.6
197.13272	2.2
198.14000	1.9
199.14812	9.1
201.16354	3.3
202.21619	4.5
203.17982	2.0
212.15536	1.6
215.17976	5.7
217.16063	5.8
217.19458	24.6
227.17912	88.1
228.18187	1.8
245.04385	4.0
245.15297	4.6
245.18965	100.0
245.26616	12.2
246.19304	1.4
260.54135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34815	0.6
53.03933	3.8
54.23811	0.5
55.01857	2.4
55.05502	1.0
56.05033	1.0
56.96562	1.1
57.03421	3.2
57.03660	0.6
61.02911	6.4
67.01849	0.7
67.05482	1.2
69.03421	16.3
69.07048	1.4
70.02940	0.9
70.06580	1.6
70.51892	2.5
71.04976	4.6
72.08125	0.8
73.02915	1.4
74.02420	0.8
78.43493	0.6
79.05476	1.4
81.03404	26.2
81.07053	2.0
83.04967	1.3
84.04483	0.7
85.02892	100.0
85.06509	1.1
86.09687	9.6
87.04443	0.8
88.03968	5.2
88.07596	0.9
91.05472	2.0
93.07026	1.0
95.01264	0.8
95.04964	1.4
95.08585	1.1
97.02873	22.8
97.06490	0.7
99.04436	10.7
102.82199	0.6
103.03920	1.6
103.07041	0.6
104.05299	0.8
105.07054	0.8
106.91862	0.7
107.04958	1.4
107.50430	0.5
109.02863	38.0
109.06484	1.1
111.04465	0.9
113.05991	1.2
113.10722	0.8
115.03918	1.0
116.07086	1.1
116.98560	0.9
117.06986	0.7
119.08574	1.0
121.02843	11.1
121.06487	0.8
123.04420	0.8
123.08070	0.8
124.45517	0.6
127.03898	45.0
129.06982	1.1
130.06470	1.1
131.04919	0.8
131.08553	1.7
132.10213	4.8
135.04433	0.9
137.06036	1.0
139.03909	2.7
141.05429	1.3
141.07011	1.1
141.10202	1.1
143.08574	1.6
145.04958	3.5
145.06386	0.8
145.10112	0.9
147.04366	1.2
147.08041	0.7
148.07559	1.0
151.06180	0.6
151.07518	1.2
158.05997	1.6
159.08063	2.5
159.11670	0.7
161.02943	0.8
161.05922	0.7
163.03966	1.0
166.08582	1.3
169.04950	2.5
169.06293	0.8
171.12134	0.8
173.09654	0.7
175.03894	2.4
176.10649	3.6
177.05589	0.6
180.90840	0.6
183.11668	1.2
187.04288	1.3
187.05972	9.4
187.07481	1.2
187.10944	2.2
188.98418	0.6
196.99014	0.7
201.05278	0.7
201.10423	1.2
201.12283	6.8
204.10188	3.7
212.09167	1.5
223.01202	0.7
229.05066	1.0
229.07002	1.6
229.08694	2.0
229.12097	2.2
229.19376	0.8
247.05966	7.1
247.10126	3.6
247.13190	3.8
247.18466	1.5
247.20650	0.6
248.12822	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	245.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94227	9.0
56.22238	8.3
57.03436	14.1
59.52135	10.2
61.02919	13.0
63.46442	8.3
70.06589	11.7
71.60999	13.1
71.61385	11.2
85.02895	51.0
86.22750	9.1
97.02869	16.0
101.00878	50.9
112.04998	9.9
112.44814	9.0
114.18430	8.6
119.01920	100.0
121.02855	34.7
124.03660	10.2
131.01920	19.3
137.02986	9.0
143.01888	17.4
145.03490	18.9
153.55814	14.0
155.01865	15.8
157.03471	29.3
161.02979	46.5
164.06094	49.4
166.59593	9.2
173.03011	21.5
175.04413	13.5
185.02979	34.3
185.07610	13.1
197.02942	22.5
203.03993	16.7
221.05109	22.0
223.06627	22.1
224.06812	10.9
241.07578	10.4
245.00652	14.6
245.05052	75.0
245.09492	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	245.0055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	10.1
58.80359	5.4
61.02908	18.4
69.03418	37.8
70.06567	7.6
70.84069	14.0
73.02890	8.1
81.03414	8.6
82.48876	3.7
85.02888	38.4
85.92944	3.9
86.06042	16.3
94.02642	4.9
97.02875	13.9
99.04429	4.7
101.00867	39.6
102.02393	6.4
111.02917	5.2
113.02348	27.2
113.03473	4.3
115.02409	9.5
118.03677	4.4
119.01908	100.0
120.02000	6.6
121.02805	8.9
125.02679	4.8
127.02364	5.1
127.03846	8.9
128.65190	3.8
131.01880	19.0
133.03445	8.1
137.02950	15.9
139.02406	4.9
143.01897	25.7
145.03430	33.3
152.64845	4.0
153.02103	13.9
155.01874	14.5
157.03445	20.7
161.02943	34.2
162.02689	12.7
163.04562	5.3
164.06020	26.9
167.01900	10.0
171.03136	4.3
173.03009	28.0
175.04466	12.0
176.02344	6.6
177.02400	6.2
181.09631	4.7
185.02916	58.6
187.00934	8.2
187.04500	8.4
189.02409	6.4
197.02869	20.9
199.02516	5.1
203.03992	14.5
204.01855	12.4
205.05457	5.5
213.02434	11.0
215.00439	7.0
215.03922	10.2
215.52875	5.5
221.05054	9.1
222.02864	5.1
223.06601	17.0
224.06737	5.1
224.53130	6.0
233.53702	4.9
241.07620	4.3
245.00764	8.1
245.05005	66.5
245.11531	7.7
245.14917	4.7
251.02463	9.6
263.06161	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	245.1533
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03921	2.1
53.75002	1.6
55.01849	4.4
55.05501	6.8
57.02011	1.5
57.03444	1.6
67.05495	7.8
69.03422	8.2
69.07059	7.3
71.04974	2.4
71.17711	3.7
79.05486	10.9
81.07057	13.6
83.04981	2.6
83.08600	2.6
85.06523	2.0
87.04439	1.5
91.05467	18.5
93.07034	10.9
95.04955	3.9
95.08591	14.8
97.02880	11.6
97.06527	2.6
97.10123	2.1
105.07017	36.0
106.07850	1.5
107.08585	19.3
109.06503	5.0
109.10135	7.1
111.04455	3.6
112.29893	1.4
115.05432	1.7
117.06978	4.9
119.04935	1.7
119.08568	32.9
120.09332	2.4
121.02847	12.5
121.06505	8.4
121.10133	14.9
123.04402	12.2
123.08044	3.4
125.05962	3.9
125.09611	4.7
127.58366	1.7
128.06204	5.3
129.06995	6.0
130.07832	2.2
131.08560	28.4
133.06453	2.2
133.09119	2.3
133.10115	42.3
135.07971	3.6
135.11671	5.1
137.05986	8.6
139.07491	2.0
141.06964	1.6
142.03159	3.8
142.07773	8.5
143.08545	19.5
144.09300	2.3
145.06410	2.0
145.10114	26.3
146.10886	34.1
147.08031	2.3
147.11673	71.2
148.12454	14.3
151.07541	3.0
152.68752	1.4
155.08507	3.1
156.09332	6.7
157.06468	1.5
157.10114	23.2
159.08054	3.3
159.11668	9.9
161.09569	3.2
167.08549	2.8
169.10049	6.7
170.10834	3.1
171.08058	14.2
171.11671	16.4
172.08823	4.0
173.09645	4.3
173.13243	2.2
174.06721	2.1
175.07579	2.5
175.11136	2.6
179.08533	4.7
183.08138	1.6
184.12436	7.8
185.09608	19.2
185.13196	2.5
186.10349	1.9
189.09067	12.2
189.11017	2.8
189.12740	2.7
191.14240	2.7
191.69135	1.5
194.10899	6.8
197.09641	7.7
199.11089	2.3
199.14784	26.1
201.16330	2.1
203.10635	3.9
209.13193	14.2
209.15092	2.3
212.11934	11.0
212.53064	1.9
217.15900	1.7
227.12082	3.2
227.14279	54.8
227.16495	2.7
245.04594	7.1
245.15353	100.0
246.04825	1.6
246.11203	13.2
246.15715	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77134	0.4
53.87034	0.4
55.72089	0.4
67.02602	0.4
71.38295	0.9
81.93340	0.4
96.20068	0.5
96.89301	0.4
100.02415	0.5
101.00871	5.6
102.00928	0.4
119.01917	31.6
120.01989	5.3
121.01649	0.8
124.02392	0.5
135.99966	0.6
136.16223	0.4
137.02945	12.0
138.03049	1.4
142.03497	5.1
143.01884	0.8
145.03583	0.6
157.03519	0.5
159.99983	1.0
160.04565	1.9
161.02942	11.9
175.04581	0.5
177.00932	2.8
178.01042	21.1
179.00688	4.4
179.04001	16.2
179.05571	0.9
184.04575	1.6
185.02901	1.2
196.02223	0.6
202.00974	1.0
202.05606	1.7
203.03995	1.1
218.04170	2.3
219.01999	1.7
219.03891	0.6
220.02107	24.7
220.94402	0.5
221.01726	11.3
221.05135	1.9
226.00792	2.3
227.03984	0.4
243.03752	0.7
244.02029	6.4
245.01839	0.9
245.04961	2.5
262.03180	100.0
263.02847	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	244.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01855	2.9
55.05490	2.0
56.94300	1.4
56.96547	1.9
57.03429	5.0
57.07061	0.9
60.12360	0.7
61.02917	4.8
65.03926	6.2
67.05510	1.6
68.05019	0.7
68.87405	0.7
69.03073	0.8
69.03425	12.3
69.07036	1.2
70.06576	3.0
70.95861	1.4
71.05060	1.1
72.08136	5.4
72.93443	0.8
72.93784	9.7
73.02902	3.6
73.06550	0.8
77.00900	1.6
79.05476	3.1
81.03410	4.4
81.07030	1.0
82.06588	0.7
82.99835	0.8
83.04942	0.8
83.46519	0.6
84.04488	1.0
84.08135	6.3
85.02895	23.0
85.06549	1.0
86.03233	2.5
86.06052	0.9
86.09683	0.9
87.04460	3.3
88.03942	0.9
89.94009	0.7
90.94811	5.6
91.03935	1.5
91.05470	1.2
93.03462	0.7
93.07027	1.0
95.04984	0.9
97.02879	11.0
98.03545	0.8
98.06031	3.2
98.97564	4.8
99.04438	2.1
100.07624	0.9
100.11244	6.9
100.96844	1.1
101.00871	6.9
102.94779	0.9
103.02412	1.8
104.96377	4.2
107.04972	3.4
108.95837	1.3
109.02867	2.9
110.52335	0.7
111.04422	4.4
112.05058	2.7
112.07603	1.1
113.00828	1.2
113.96382	7.4
115.02430	1.4
116.07066	0.8
116.96343	4.5
116.98621	3.8
117.04754	1.6
118.01115	0.9
118.97958	0.7
119.01910	31.1
120.02012	3.1
121.02852	100.0
121.06477	2.2
121.43732	0.7
122.03175	5.6
122.97393	2.0
123.04439	2.2
123.05539	1.2
124.07556	0.7
127.03921	5.9
127.97928	2.4
129.10239	1.0
130.97864	0.7
131.01888	5.4
131.97437	4.2
132.01988	1.6
132.05180	1.9
132.95799	2.1
133.01733	0.9
133.03430	3.7
133.10129	1.6
134.97382	3.3
134.99663	1.6
135.04396	3.1
136.02390	0.7
136.98947	0.9
137.03001	7.9
137.05984	3.5
138.03113	0.8
139.02438	1.4
142.03494	3.2
142.56732	0.8
143.01930	5.2
144.01892	0.7
144.95859	1.3
145.03419	8.3
145.04941	2.4
145.05995	1.0
145.98976	7.4
147.01372	1.5
147.03239	1.0
147.04971	1.3
148.01459	1.2
148.98976	4.0
149.96118	1.4
150.96872	3.0
152.07170	0.9
154.03548	2.5
155.01889	2.9
157.03432	13.0
158.03647	2.1
158.05669	0.7
160.04565	0.9
160.95316	22.1
161.01421	1.1
161.02927	13.2
161.06563	0.9
162.03212	1.6
162.56432	2.3
162.96939	1.7
163.02643	1.4
163.04483	1.5
163.07115	13.0
163.57230	2.8
166.04950	1.0
166.06184	1.4
167.03630	1.2
167.07011	2.8
167.97330	4.4
170.03200	0.7
170.04968	1.7
171.05040	0.9
172.00569	1.0
172.04533	1.1
172.97685	1.4
173.02916	4.0
173.98431	1.2
175.04510	6.0
176.00081	1.0
176.04742	1.9
177.00723	2.5
177.05490	1.6
178.96362	15.4
179.03992	7.4
179.05511	1.6
183.05202	0.9
184.07358	1.2
185.02954	3.0
185.98503	2.9
187.04498	1.3
189.02425	1.6
190.02625	0.8
191.02191	1.0
191.03989	1.0
195.05035	2.2
197.02998	2.0
198.02426	8.5
199.05063	0.7
201.02507	0.8
201.98015	1.3
202.01460	0.8
202.02690	1.3
202.05582	1.6
203.04085	3.8
203.07654	1.5
205.03876	0.8
205.05612	3.2
207.03493	1.4
208.03726	1.0
209.16447	0.9
211.04463	0.9
213.02417	1.4
213.05957	0.8
216.03656	2.4
220.97388	15.3
220.99489	0.9
221.04825	4.3
223.06726	12.6
224.06833	2.4
225.06296	0.8
226.05589	1.1
226.08344	0.9
226.17862	0.8
227.03899	1.0
231.03477	2.0
232.03708	0.9
232.06042	2.1
233.03241	1.4
235.06363	1.1
236.04701	0.8
238.98422	2.2
239.04881	2.4
241.05443	1.1
241.07632	6.0
242.07918	1.3
243.99019	2.7
244.02298	1.2
244.04234	2.6
244.06711	6.0
244.09308	5.2
244.11670	1.5
244.16530	2.1
244.20113	6.3
244.22342	0.8
244.56586	0.9
245.05022	6.1
246.05203	0.7
251.04182	0.7
259.06775	0.8
263.06238	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.8
57.03429	15.2
58.06588	1.5
59.04980	1.4
59.06932	1.2
61.02910	6.3
69.03419	6.3
71.01347	6.2
71.04964	2.8
71.63509	1.6
73.02904	7.4
74.31576	0.7
75.04478	1.4
75.12450	0.7
78.61940	0.7
80.05006	1.5
81.03400	2.2
83.01324	1.6
84.08143	1.4
85.02416	1.5
85.02891	18.2
87.04456	8.2
89.02371	5.4
91.03920	1.1
95.01295	1.0
97.02885	6.9
99.04429	2.1
99.05463	0.8
100.02460	1.5
101.00863	2.4
101.02360	19.6
103.02401	0.9
103.03922	2.3
105.01846	0.7
109.02833	1.8
110.05991	0.9
110.07141	1.3
111.00755	1.0
113.02338	1.8
115.03909	32.1
119.01920	6.7
121.04214	0.7
121.63538	0.7
127.03906	5.0
129.01823	22.6
131.01825	1.5
131.03380	2.1
133.01331	0.9
133.03448	2.7
133.04973	3.7
137.02911	1.1
141.01709	1.1
141.37482	0.7
143.02211	1.1
143.03380	14.5
144.99782	1.1
145.03413	1.5
145.04951	7.2
146.04970	4.2
147.02939	1.3
147.04991	2.4
148.04709	0.9
152.07112	0.9
155.05528	3.7
157.01314	30.9
157.03444	2.7
159.02898	2.3
159.05014	1.0
161.02934	2.5
161.04410	18.8
161.05539	3.8
161.55667	1.1
163.05959	1.9
165.06052	1.0
168.01476	0.9
170.06012	3.7
171.01482	0.7
171.02873	3.1
172.99356	1.7
173.02895	1.5
175.02394	2.3
175.04469	1.3
177.06042	1.1
184.05754	2.7
187.00832	1.3
189.03915	100.0
191.00417	1.5
191.02142	1.3
196.00935	3.7
196.09691	0.9
205.02094	0.8
205.05617	0.7
207.04982	9.1
214.01831	1.7
219.03406	2.5
221.03166	1.6
223.06567	4.1
224.07558	3.2
225.05956	1.4
228.03413	1.7
241.07616	2.4
242.10187	2.8
242.15761	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	242.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80050	0.6
51.92140	0.7
53.03893	1.4
55.01827	1.4
55.05455	1.9
56.96513	1.2
57.03374	3.2
57.07051	0.6
58.06534	4.0
58.99799	0.8
59.04935	0.8
59.06895	1.3
61.02915	3.8
67.05459	0.9
69.03416	7.6
69.07027	0.6
70.06530	1.4
71.01301	0.7
71.04938	0.8
71.60825	1.2
72.08130	1.2
73.02907	3.4
73.06511	0.8
79.05438	1.0
81.03413	3.1
81.06991	1.5
82.99815	0.9
83.06054	0.7
84.08125	3.5
85.02894	13.8
85.06474	1.5
85.08438	1.4
87.04410	1.2
95.06023	1.4
97.02876	7.3
98.06021	1.6
98.97543	1.5
99.04391	1.6
101.00260	0.9
101.00854	11.8
101.02289	0.7
103.02380	0.9
103.03875	1.0
107.04943	0.9
109.02813	2.4
110.05988	1.0
113.00797	1.8
115.03895	1.2
116.98545	1.3
118.03464	1.0
119.01898	66.4
120.01960	1.8
121.01614	1.7
121.02789	2.0
127.03897	4.1
129.03871	0.6
131.01869	14.6
132.03395	0.9
133.03395	2.7
134.99669	0.9
135.03160	0.7
137.02934	20.7
139.02368	0.8
139.04108	1.2
142.03424	2.6
143.01881	3.8
145.03471	3.6
145.04874	2.5
147.05803	0.9
147.55824	1.6
148.04668	0.8
149.02960	5.8
152.04898	0.7
153.03918	1.1
154.04655	0.8
155.01837	1.6
155.04605	1.6
157.03429	3.9
158.03537	0.7
158.97163	1.9
160.04488	1.0
160.06517	1.8
160.56564	2.5
161.02898	5.7
161.05513	1.5
161.06607	1.6
162.03027	1.4
163.04408	0.9
165.07388	0.9
168.05290	1.0
169.57198	0.7
170.06093	1.0
171.04997	1.6
173.02954	8.9
175.04399	1.5
175.79306	0.6
175.94812	0.6
176.98227	2.0
177.00719	2.0
177.02319	1.2
177.05850	0.9
183.01328	2.1
184.05771	10.9
184.55791	2.1
186.04434	1.0
187.00958	0.8
189.03865	1.6
191.03964	9.0
195.03387	0.7
196.09679	1.6
197.02928	1.0
197.09993	1.6
199.04330	0.9
201.02412	60.0
202.02634	1.1
203.03987	1.4
205.05505	1.3
213.06044	0.7
218.99271	2.8
219.03473	100.0
220.03705	2.4
221.04897	1.5
223.06610	4.7
224.04028	2.3
224.06714	0.7
231.07147	1.3
237.02716	0.7
241.07567	1.6
242.05222	3.8
242.07591	0.8
242.10300	2.7
242.15773	39.2
242.18526	1.9
245.05003	1.5
252.28818	0.7
261.03015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.2158
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
52.07021	0.8
55.01859	1.7
55.05503	13.6
56.10814	0.9
57.03427	1.9
57.07068	4.8
59.04997	1.8
67.05157	1.7
67.05490	17.6
69.03412	1.4
69.07053	22.2
69.07404	1.7
70.97443	2.1
70.97765	0.9
71.04984	7.1
71.08606	1.4
79.05478	7.3
81.07046	36.8
83.04984	1.1
83.08605	14.0
85.06529	100.0
88.51752	0.9
91.05459	2.9
93.03709	2.0
93.07024	13.6
95.04958	1.5
95.08591	49.8
97.02851	1.4
97.06512	2.5
97.10141	7.3
98.97583	1.1
99.08083	14.4
103.07565	1.5
105.07016	3.9
106.56030	0.9
107.08584	14.9
109.10139	39.3
111.08099	1.3
111.11687	2.8
113.09619	4.3
116.98595	1.4
119.08568	3.8
121.10124	13.2
123.08014	1.1
123.11687	36.4
125.09599	1.5
127.11163	2.3
131.08572	1.7
133.10135	2.5
134.99632	2.0
135.11684	11.5
137.13240	1.9
139.11176	1.5
141.12715	4.7
143.08533	1.7
145.10091	2.3
147.11702	1.5
149.13223	12.6
153.12737	1.9
157.10091	2.6
159.11621	1.6
163.14789	3.0
167.14346	1.8
171.11641	2.1
177.16379	2.2
179.17918	2.0
185.09521	1.2
185.13237	2.8
199.11143	1.0
199.14714	1.0
205.19485	13.5
213.16397	1.1
223.13223	1.6
223.17020	1.3
223.20534	13.5
241.08585	3.1
241.12225	3.1
241.15836	3.8
241.19463	6.1
241.21632	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	241.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.2
55.01855	0.5
55.05503	1.1
56.96541	0.4
57.03408	0.7
57.07059	0.3
58.06591	14.7
58.84480	0.2
58.99857	0.2
59.04991	0.2
61.02924	2.0
67.05477	0.5
69.03423	1.8
69.07066	0.3
70.06235	0.2
70.06580	2.3
71.04973	0.4
71.62016	0.2
72.08127	0.6
73.02905	1.4
73.06525	0.4
74.06068	0.2
79.05465	0.5
81.03405	1.5
81.07045	0.5
82.99844	0.2
83.04962	0.4
84.08130	7.3
85.02417	0.2
85.02894	3.3
85.06547	0.4
86.03222	0.2
87.01788	0.2
87.04433	0.5
88.73408	0.2
95.04970	0.2
97.02876	2.4
97.06525	0.3
98.06013	0.4
98.09668	1.2
98.97581	1.8
99.04430	0.6
99.08080	0.2
100.02456	0.2
100.11224	0.3
101.00864	1.3
102.02351	0.3
103.00663	0.2
103.02431	0.3
103.03947	0.8
107.04924	0.4
109.02853	0.6
110.97449	0.2
113.00849	0.2
113.02329	0.3
114.05494	0.4
115.02419	0.2
116.07047	0.3
116.10677	0.2
116.98617	1.3
119.01898	6.3
120.01999	0.5
121.01639	0.4
121.02782	0.3
126.05498	0.4
126.09148	0.4
127.02410	0.2
127.03936	1.0
128.10693	3.3
131.01901	1.8
131.05518	0.3
132.02008	0.3
133.01645	0.2
133.03436	0.7
134.03569	0.2
134.05977	0.8
134.99661	1.2
136.07524	0.2
137.02916	1.7
137.05934	0.4
142.03557	0.2
143.01886	2.0
144.03401	0.2
144.10167	1.1
145.03491	1.2
145.04941	0.6
146.03403	0.3
146.04765	0.2
147.01428	0.2
147.05806	1.8
147.55814	0.6
148.04739	0.3
149.02921	0.6
149.04384	0.1
149.06563	0.5
152.04813	0.3
152.07034	1.2
152.10675	0.2
155.01868	0.5
156.97470	0.9
157.03391	1.0
157.97530	0.4
158.01202	0.3
158.03589	0.2
158.97166	0.4
159.05023	0.2
160.04649	0.3
160.06534	2.8
160.56560	0.3
161.02937	2.5
162.03001	0.3
163.04338	0.3
163.06007	0.2
163.08154	0.4
164.07045	2.2
167.05574	0.3
167.07092	0.3
168.10179	0.9
169.07121	0.3
171.05022	0.4
173.02887	1.2
173.06572	0.4
174.98517	1.3
175.04446	0.5
175.98633	0.5
176.98210	0.4
177.00652	0.4
177.02345	0.3
177.06003	0.2
180.57809	0.2
181.09697	0.2
183.01372	0.2
183.04965	0.3
184.05843	0.6
185.02933	0.7
185.06541	0.3
187.04507	0.3
187.08232	0.2
189.02287	0.2
191.03961	0.6
191.07593	0.3
194.05183	0.2
195.01758	0.2
195.05058	0.2
196.09647	4.8
198.98494	0.7
199.08206	0.3
199.98616	0.3
200.03928	0.3
201.02412	3.4
203.04007	0.4
203.07599	0.2
207.03531	0.2
209.06529	0.3
211.06184	0.4
213.06012	0.2
213.15973	0.4
214.05997	0.2
215.07628	0.2
216.99521	1.1
217.05516	0.2
217.99655	0.5
218.05077	0.4
219.03484	5.3
219.05460	0.3
219.06902	0.3
221.04985	0.6
223.00693	0.2
223.06522	0.8
223.10930	0.2
225.06113	0.2
231.07028	0.3
232.08632	0.2
237.02701	0.3
240.58063	0.4
241.15427	100.0
242.05119	0.5
242.15756	1.0
245.04948	0.4
259.06509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.16505	4.4
53.32280	5.8
55.05499	45.9
55.31054	4.6
57.07053	15.7
59.04993	30.3
67.05483	20.6
69.07060	41.6
70.06816	22.5
71.04977	12.3
79.05469	15.7
81.07040	98.7
83.04961	5.2
83.08609	32.2
85.06541	14.5
89.96201	4.5
91.05453	9.7
93.07020	36.7
95.08591	100.0
97.06499	9.9
97.10152	26.3
99.08084	10.8
105.07025	14.5
107.08565	51.5
109.10132	55.0
111.08045	13.6
111.11710	22.2
119.08563	32.4
121.10134	32.8
123.08057	5.0
123.11684	45.6
125.09613	16.3
133.10068	31.7
135.11679	58.9
137.13237	95.4
139.11150	36.7
141.09100	5.0
143.10666	15.9
145.10115	5.4
147.11681	32.4
148.87654	4.8
149.13220	20.6
151.11192	12.4
157.12158	9.5
161.13271	15.0
163.14767	42.3
165.12767	12.3
177.16354	9.4
193.19507	7.3
203.17918	75.2
221.18956	87.6
222.19360	5.5
230.31230	5.9
239.20026	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
67.54575	0.9
70.94498	2.1
91.53384	0.8
101.00889	1.0
117.63339	1.0
119.01906	2.1
138.96407	3.8
146.02429	1.6
146.52405	0.8
156.97453	71.0
157.49454	1.1
166.99135	1.3
174.98508	79.2
177.96284	1.0
178.49991	4.1
179.98979	4.8
180.97452	3.0
180.99005	1.2
186.96860	1.2
189.47044	1.2
198.00114	4.2
198.47668	2.7
198.98503	40.6
214.49258	1.8
216.01140	1.2
216.99547	100.0
217.99666	2.1
222.00079	3.7
234.96759	1.1
239.97830	1.4
240.01195	4.9
245.50470	0.9
262.60727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.7
55.01854	3.3
55.05503	23.5
57.03420	2.7
57.07060	4.2
64.22090	1.6
67.05493	49.4
69.07051	15.1
70.78405	4.8
71.04980	4.8
71.08604	2.2
73.06536	3.8
79.05480	85.1
81.03395	5.2
81.07042	41.6
83.04967	30.7
83.08614	8.3
85.06530	4.0
87.04498	1.8
89.06022	9.4
89.23655	1.5
91.04890	2.3
91.05465	63.2
93.07028	100.0
95.04961	21.8
95.08592	23.1
97.06509	7.3
97.10146	3.5
105.04494	2.5
105.07011	48.3
107.04935	4.0
107.08575	16.7
109.06483	6.4
109.10116	5.4
111.08036	3.3
113.09563	1.9
117.06992	11.4
119.08564	25.6
121.06469	4.1
121.10134	7.0
123.08045	6.9
127.07559	1.8
128.06232	2.9
129.06990	20.7
129.46246	1.7
131.08514	2.5
133.08559	3.6
133.10129	12.6
135.11642	2.4
138.96346	1.5
141.06961	4.1
143.08543	10.6
145.10054	13.0
147.07974	4.1
147.11668	67.4
155.08459	1.7
161.09641	5.9
161.13243	18.9
163.58260	1.9
165.06880	2.4
169.10181	3.6
171.11658	46.4
179.08463	3.5
185.00127	1.7
189.12675	19.8
198.18466	4.6
207.13759	25.6
221.15289	2.1
239.08774	13.7
239.14323	5.1
239.18062	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	239.2
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
53.03938	5.0
55.05500	36.7
57.07055	17.1
59.04989	23.6
59.05250	4.7
67.05485	25.7
69.07057	45.6
71.04961	11.0
71.05984	7.3
79.05500	9.1
81.07040	93.6
83.04964	4.4
83.08606	26.2
85.06525	13.9
91.05472	6.4
93.07037	38.5
95.08584	100.0
97.06505	13.3
97.10146	18.0
99.08073	8.0
105.06997	16.6
107.08581	49.7
109.06487	5.1
109.10134	59.8
111.08058	6.6
111.11690	19.0
119.08540	28.4
121.10126	39.6
123.08044	4.3
123.11678	30.6
125.09615	14.6
127.11114	7.7
127.73274	4.2
133.10100	36.4
135.11665	54.6
137.13234	66.1
139.11165	26.8
143.10654	9.5
146.14983	4.8
147.11662	30.1
149.13213	14.2
149.82291	4.0
151.11177	10.0
151.14847	5.4
153.12711	5.3
157.12160	5.5
161.13243	11.7
162.21063	4.7
163.14793	28.0
165.12733	7.2
175.14764	8.2
177.05292	4.5
177.16364	9.0
193.19400	4.3
194.80345	3.8
203.17908	71.9
221.15582	5.2
221.18956	64.4
239.20007	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2001
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05293	3.2
55.05499	36.6
57.03419	3.3
57.07067	17.4
59.04995	24.5
67.05485	23.2
68.13227	3.1
69.07055	52.8
70.82256	9.7
71.04967	12.4
71.08623	5.7
79.05479	11.3
81.07043	85.0
83.08600	32.8
85.06508	10.1
91.05444	10.2
93.07039	32.1
95.04959	3.4
95.08589	100.0
97.06519	13.7
97.10165	21.3
99.08032	5.8
105.07011	26.9
107.08570	60.8
107.80404	3.4
109.06477	5.8
109.10136	61.3
110.10471	3.7
111.08042	11.2
111.11703	24.8
113.09690	4.2
115.07561	7.1
119.08563	40.7
120.09174	3.2
121.10124	34.4
123.11674	44.6
125.09600	16.3
127.11160	6.4
133.10123	33.8
135.11676	70.6
137.09607	5.2
137.13235	93.4
139.11130	29.5
143.10654	15.3
147.11682	29.4
149.13231	21.1
151.11172	10.6
151.14850	4.3
153.12677	3.8
157.12277	6.5
161.13235	18.7
163.14793	36.9
165.12706	12.4
175.14807	7.6
177.16371	9.3
193.19481	9.1
203.17934	76.1
206.05672	3.7
221.08073	5.3
221.18956	78.1
239.17885	4.9
239.20024	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.107
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
50.50916	0.5
56.96551	1.3
61.72537	0.4
69.03408	0.7
69.62477	2.5
69.62887	0.8
70.06574	0.6
79.05482	5.9
81.03374	1.0
81.07047	0.4
84.08136	0.9
87.00798	0.8
90.05523	0.7
91.05446	2.9
93.07027	0.4
95.01311	0.6
95.04922	0.5
98.20796	0.9
98.97549	0.4
103.05437	4.7
105.03344	0.5
105.07011	9.2
106.06538	20.3
107.04926	5.6
116.07098	0.4
116.98574	0.4
117.05724	1.6
118.06534	6.2
119.07304	10.1
119.08167	0.5
119.08575	0.9
120.08084	8.5
121.06487	1.0
124.03950	0.5
127.03873	0.6
128.06197	0.5
129.06985	5.2
130.06465	0.6
131.04872	2.0
131.07280	1.6
131.08481	0.4
132.04433	2.1
132.08080	1.8
135.04398	6.4
136.07602	0.5
143.00145	0.7
144.08073	1.6
146.09622	81.1
147.10014	0.9
147.87326	0.5
152.07051	0.8
161.01196	0.7
163.03833	4.2
164.10674	1.4
172.95168	0.9
174.05458	0.7
178.08560	0.6
190.96191	0.7
192.06537	13.8
192.10155	100.0
193.10493	1.0
231.01653	0.6
238.01627	0.8
238.06990	0.8
238.10725	14.0
238.14583	1.1
239.04976	0.6
239.08904	0.5
249.02927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.40257	1.3
53.03936	2.9
55.01860	2.8
55.05500	7.2
57.03424	2.2
57.07067	3.1
59.04986	4.9
59.31024	1.6
67.05498	15.1
69.03416	13.6
69.07051	11.0
69.65228	6.0
69.65662	6.7
71.04984	29.4
79.05479	20.4
81.07042	100.0
83.04980	2.0
83.08612	3.5
83.11626	1.5
85.06528	5.9
91.05459	7.3
93.07034	16.5
95.04959	6.7
95.08584	12.7
97.06526	7.2
97.10167	4.4
99.08078	48.3
105.07011	24.4
106.32978	1.4
107.08566	20.9
109.06496	15.8
109.10139	30.7
117.07033	1.9
119.08543	12.5
121.10130	17.8
123.08047	4.8
123.11709	8.3
125.09617	6.3
127.07533	26.3
127.11163	24.1
131.08571	3.2
133.10104	42.1
135.11690	5.6
137.09621	2.4
139.11159	3.0
143.10634	8.0
145.10101	13.6
147.11674	13.2
149.13225	6.5
151.11154	45.2
155.10652	11.8
159.11623	7.1
161.13226	6.2
163.11130	3.1
165.12695	3.9
169.12241	4.8
175.14845	2.7
177.12639	1.9
177.16452	3.4
201.16299	7.1
219.17453	16.6
237.18448	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	238.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
57.07085	0.5
61.00600	0.4
66.15975	0.4
67.05499	0.5
69.07029	0.3
69.66691	1.9
69.67108	0.8
71.43632	0.4
72.08152	0.5
73.02897	0.4
77.03934	0.5
77.74493	0.4
79.05488	19.5
79.64205	0.4
81.03402	0.6
81.07029	0.6
83.04949	0.6
84.08167	0.4
85.02905	0.7
86.09700	0.5
87.00809	3.9
93.07037	0.6
95.01311	0.4
95.04972	1.8
95.08596	0.5
99.04427	0.7
104.03448	0.6
105.01875	0.4
105.03386	3.6
105.06947	0.6
106.06546	100.0
107.04948	14.0
107.06888	1.3
109.02837	0.4
111.02645	0.4
113.03475	0.4
118.06629	0.5
119.08467	0.4
120.08099	0.7
121.06474	0.5
128.06239	0.4
129.10202	0.4
132.04445	9.3
132.05396	0.6
133.10097	0.4
135.04407	28.1
136.04724	0.4
136.06189	1.0
137.05965	0.5
146.09616	1.9
148.07487	0.5
150.05530	0.8
152.07047	2.6
155.97470	0.6
162.08890	0.4
163.03909	1.4
174.05461	1.6
175.11208	0.5
176.82271	0.4
185.94821	0.4
192.06540	65.6
193.06874	1.5
198.96542	0.4
209.77271	0.4
220.06067	2.2
220.09695	0.7
238.01746	0.4
238.05060	0.8
238.07135	1.3
238.10715	1.4
238.14378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.17250	1.8
55.01864	2.3
55.05507	9.5
57.03414	3.8
57.07063	2.8
59.04989	6.3
65.03907	1.6
67.05496	12.8
69.03423	12.9
69.07076	8.5
69.82921	7.7
71.04985	25.3
74.31463	1.6
79.05485	22.4
79.12710	1.5
80.73011	1.5
81.07047	100.0
83.04954	2.5
83.08605	3.1
84.65807	1.6
85.06525	4.4
91.05464	7.5
93.07025	16.6
95.04955	4.3
95.08598	14.5
97.06513	5.5
97.10181	2.8
98.20798	2.0
99.04173	1.4
99.08084	47.1
105.07025	25.6
107.08580	23.9
109.05025	1.7
109.06512	15.4
109.10152	24.1
111.08042	2.8
113.09615	2.1
114.53636	1.8
117.07003	2.2
119.08577	9.2
121.10124	15.3
121.61530	1.7
123.08032	3.2
123.11706	9.7
125.09613	8.4
127.07533	22.8
127.11180	24.1
131.08563	5.7
133.10107	33.2
135.11705	5.4
139.11165	2.9
143.10657	6.5
144.49382	1.7
145.10123	11.0
147.11641	10.0
149.13231	7.0
151.11171	35.1
151.12338	2.7
155.10629	10.0
159.11708	4.9
161.13240	7.3
163.11157	2.5
165.12776	2.7
169.12248	5.2
175.14871	1.9
177.16438	1.6
189.14021	1.6
201.16353	10.0
219.17410	13.3
237.18513	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
55.05256	3.7
55.05504	45.4
57.07055	2.9
59.04976	3.7
63.58255	1.7
65.69989	1.7
67.05496	12.4
69.03419	5.2
69.07062	9.1
69.99326	10.7
71.04986	27.6
72.03671	1.9
78.53968	1.7
79.05488	8.6
81.07046	31.9
82.16684	1.8
83.04972	54.7
83.08608	2.5
85.02937	2.9
88.47402	1.8
91.05471	10.0
93.07031	23.6
95.04944	7.6
95.08598	16.6
97.06518	9.6
98.20819	2.7
99.08079	4.4
105.07013	28.6
107.08596	18.5
109.06493	7.1
109.10131	20.0
111.08057	7.9
117.06950	2.7
119.08573	7.4
121.10126	35.3
123.08055	2.5
123.11696	11.9
125.09554	3.9
127.07553	2.1
127.11198	10.3
131.08536	10.2
133.10110	100.0
135.11668	13.2
137.09624	4.4
139.11148	17.6
143.10718	2.9
145.10069	13.5
147.04358	3.8
147.11673	12.3
149.09616	3.9
149.13214	11.6
151.11166	30.3
153.12730	14.6
155.10684	2.5
159.11641	18.0
161.13222	4.3
163.11172	6.0
173.13194	2.0
177.12749	4.5
186.39240	1.8
191.17892	2.9
201.16347	18.5
211.61908	2.2
219.17416	28.5
231.11591	1.8
237.14821	3.5
237.18445	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1844
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.23062	2.2
55.01864	4.8
55.05502	17.8
57.03418	2.8
57.07058	4.6
67.05482	9.4
69.03419	27.5
69.07073	11.9
69.49900	16.2
69.50321	6.6
71.04980	73.5
79.05474	12.7
81.07041	63.0
83.04958	8.0
83.08599	3.6
85.06521	3.5
91.05489	11.6
91.24761	2.3
93.07032	25.9
95.04938	7.6
95.08595	16.7
95.70139	2.3
97.06512	6.0
97.10139	3.6
99.08077	19.6
105.07015	27.0
105.65296	2.7
107.08574	23.1
109.06500	25.7
109.10133	22.2
111.08066	6.8
117.06980	3.8
119.08559	13.2
121.10114	16.6
123.08095	4.9
123.11667	15.6
125.09671	12.1
127.07536	7.0
127.11167	71.3
131.08504	11.0
133.10112	58.8
135.11684	6.5
139.11143	10.6
143.10641	12.1
145.10098	27.0
147.04341	2.6
147.11646	8.9
149.09578	3.3
149.13268	5.5
151.11163	100.0
155.10649	32.1
159.11699	9.5
161.13240	5.3
163.11189	2.5
167.06996	2.3
172.03983	2.3
177.12682	2.6
201.16391	9.9
217.51747	2.6
219.17395	15.9
237.18497	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	235.18
Annotation	Lidocaine
Peak:m/z	Relative Intensity
58.06594	3.4
70.95509	0.4
70.95899	0.4
71.55671	0.2
86.09693	100.0
87.10033	0.6
119.18845	0.2
197.78763	0.2
235.18011	22.4
236.18385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03933	4.1
55.01843	4.3
55.05500	21.5
57.03424	5.6
57.07060	5.5
59.04988	5.1
65.91201	1.9
67.05495	21.2
69.03427	12.5
69.07050	17.3
70.65971	3.1
70.66332	4.8
71.04980	44.2
71.08592	1.9
73.02903	2.5
79.05482	24.9
81.07045	100.0
83.04966	9.1
83.08611	12.7
85.06512	8.0
86.09702	3.8
87.10023	7.0
87.14242	2.2
91.05466	19.0
93.06464	4.1
93.07030	59.9
94.07368	1.9
95.04945	17.1
95.08590	35.1
95.79732	1.9
97.02891	2.1
97.06511	10.8
97.10123	4.9
98.97563	3.1
99.08078	26.5
105.07014	52.2
107.04925	2.4
107.08583	48.8
109.06490	20.0
109.10140	41.5
111.08077	7.1
113.06018	2.5
113.09665	3.6
115.07555	3.2
117.06994	7.3
119.08552	27.5
121.06533	3.3
121.10124	27.3
123.08050	8.4
123.11690	26.0
125.09633	12.5
127.07538	13.9
127.11176	33.6
131.08566	17.2
133.06554	2.1
133.10104	73.5
135.08044	5.1
135.11668	19.0
137.09596	5.7
137.13229	2.3
139.11128	6.9
143.10669	12.3
144.05640	3.4
145.10120	25.7
147.11668	15.8
149.09566	4.7
149.13245	12.4
151.11163	92.8
155.10632	16.5
159.07985	7.8
159.11649	20.1
161.13229	10.4
163.11140	6.9
163.14767	3.4
165.12752	3.8
172.21938	2.1
173.13231	8.6
176.96910	4.7
177.05472	3.3
177.12679	3.4
177.16389	3.4
187.07527	4.1
188.87578	1.9
189.00685	3.3
191.10608	2.1
191.14268	3.9
191.17888	7.3
201.16342	22.9
207.17493	2.4
217.07333	4.6
219.10164	7.0
219.13786	6.4
219.17410	54.2
226.07809	2.7
237.11253	2.7
237.14813	10.7
237.18491	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.78148	2.4
52.79045	2.3
55.05502	36.3
57.03431	2.9
57.07057	6.5
59.04976	8.7
60.30979	2.3
67.05496	20.1
69.03421	8.9
69.07059	21.1
71.04981	41.6
71.14243	7.1
73.06546	3.4
77.21216	2.5
78.17595	2.3
79.05481	17.8
81.07042	61.5
83.04974	45.0
83.08595	4.5
85.02892	3.8
85.06542	5.6
85.28523	2.8
87.04459	5.1
88.96700	2.4
91.05479	14.4
93.07032	45.3
95.04955	11.7
95.08585	43.4
97.06527	17.3
97.10178	3.7
99.08087	8.0
105.07016	35.7
107.08584	41.3
109.06521	14.2
109.10149	48.5
109.10857	2.1
111.08059	13.4
117.06999	5.7
119.08589	19.7
121.10128	46.6
123.08047	7.7
123.11682	21.3
125.09611	7.6
127.11169	18.4
131.08557	17.4
133.10112	100.0
135.08038	5.7
135.11670	30.7
137.09621	6.1
137.13252	4.7
139.11137	13.0
143.10628	5.0
145.10107	28.4
147.11681	23.3
149.09590	4.1
149.13258	23.4
151.11165	41.1
153.12738	8.9
155.10654	8.8
159.11665	27.7
161.13272	15.1
163.11182	9.5
163.14774	3.1
165.12740	3.0
173.13283	4.6
175.14804	4.2
177.12854	3.8
177.16354	5.3
181.12178	3.1
191.17935	8.6
201.16342	27.4
219.13892	4.8
219.17456	35.9
237.14819	6.1
237.18475	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	235.1688
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03926	1.0
55.05499	9.9
57.03403	1.7
57.07071	11.4
59.04970	1.3
59.60002	0.7
65.03921	1.8
67.05496	20.9
69.03412	1.5
69.07056	8.3
70.21651	4.0
71.04964	2.5
76.31731	0.8
79.05473	11.8
81.03390	1.8
81.07044	65.9
82.07340	0.8
83.04939	1.7
83.08592	4.7
85.06512	2.0
86.09689	16.5
87.04417	1.0
91.05447	12.1
93.06463	1.3
93.07032	26.1
95.04939	4.1
95.08592	55.8
97.06544	4.9
97.10133	3.2
99.04438	1.8
105.07012	35.7
107.04918	1.0
107.08575	65.6
108.09364	1.0
109.06490	4.7
109.09463	1.2
109.10144	21.5
111.08082	4.1
113.05987	4.2
117.06950	1.8
119.08563	47.8
121.06464	2.2
121.10121	23.0
121.10941	0.6
123.04397	1.3
123.08061	4.0
123.11685	36.1
125.05969	1.1
125.09628	1.0
129.06984	1.0
131.08499	3.0
133.06526	0.9
133.10107	32.6
135.08006	3.1
135.11673	33.7
136.12389	3.1
137.05988	0.9
137.09520	2.1
137.13220	1.3
139.07507	2.7
139.11098	1.7
142.07762	1.7
143.08525	2.0
145.06430	2.1
145.10101	3.2
147.07985	2.6
147.11662	19.5
149.09583	1.8
149.13222	2.6
149.94460	1.1
153.09090	5.4
157.10063	2.7
159.11690	9.0
161.05952	0.9
161.09622	5.6
161.13231	60.0
162.13727	1.2
165.09058	2.8
171.11638	1.5
173.05981	1.8
173.13161	1.8
174.08377	1.0
175.11148	4.3
175.14775	2.9
179.10635	8.8
189.12711	3.1
189.16350	79.7
190.16623	2.3
193.12132	1.1
199.14783	4.4
217.12445	1.3
217.15846	26.4
217.19275	1.6
235.05861	1.4
235.09558	2.4
235.16858	100.0
235.20627	3.3
236.17162	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03922	2.3
55.05497	12.5
57.07070	7.7
59.04979	4.8
64.38278	1.5
67.05222	1.5
67.05495	18.4
69.03403	2.3
69.07041	15.8
69.42927	16.5
71.04984	36.1
73.06535	3.5
79.05480	15.8
81.07043	43.6
83.04982	9.1
83.08588	5.7
86.09702	18.0
89.06014	9.7
91.05476	18.7
93.07030	40.3
95.04960	17.8
95.08036	3.0
95.08598	35.2
97.06526	4.4
97.10167	3.0
99.08078	2.4
105.07019	49.7
106.26268	1.7
107.08582	86.6
108.08991	1.6
109.06505	10.3
109.09442	2.9
109.10146	41.8
111.08061	22.0
114.38582	1.7
117.06984	2.5
119.08568	48.1
121.06467	6.1
121.10131	24.4
123.08025	3.9
123.11688	4.5
125.09614	39.2
127.11127	3.1
131.08543	18.7
133.10106	28.6
135.08011	2.1
135.11668	35.9
137.09615	5.1
142.07773	1.9
143.08508	5.6
145.10103	29.6
147.08005	7.6
147.11664	87.4
149.09549	5.4
149.13242	4.2
151.11090	2.7
153.09065	2.6
153.12738	19.0
157.10104	8.5
159.11681	8.4
161.09579	7.5
161.13229	7.4
163.11159	4.6
165.09169	2.3
165.12695	7.9
173.13226	7.3
175.11215	10.3
175.14787	11.8
179.10588	6.1
189.16360	45.5
193.15860	4.6
199.14754	8.2
207.17415	2.6
217.15863	45.3
218.16084	1.9
235.09430	1.9
235.16876	100.0
236.17151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1689
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
53.03927	1.6
55.01846	2.2
55.05499	7.8
57.03404	1.4
57.06820	1.4
57.07064	17.5
59.04961	3.1
65.03900	1.9
67.05496	12.4
69.03423	6.5
69.07054	12.9
71.04980	8.7
73.71924	1.0
79.05474	9.1
81.03382	1.2
81.06658	1.3
81.07041	18.1
83.04950	2.1
83.08627	6.2
85.06507	4.8
86.09690	33.5
86.63842	1.0
91.05468	16.1
93.06459	1.6
93.07028	23.2
95.04962	9.5
95.08591	22.6
97.06510	9.0
97.10152	1.3
98.21442	2.3
99.08057	1.3
105.07009	32.0
107.04913	1.6
107.08580	37.8
109.06501	10.0
109.10132	16.7
111.08013	3.4
115.05495	1.4
117.07005	6.4
119.08558	86.4
121.06462	3.8
121.09312	1.3
121.10129	20.8
123.04408	2.3
123.08071	5.7
123.08815	1.2
123.11709	6.8
128.06198	3.2
129.06947	3.1
131.07686	1.5
131.08539	15.2
133.06459	2.5
133.10112	50.2
135.08038	14.4
135.11658	10.2
137.09590	7.2
139.11111	3.3
142.07730	4.2
143.08556	10.5
144.09274	2.1
145.10106	13.0
146.07227	2.3
147.08040	8.2
147.11662	20.8
149.09535	4.9
149.13126	3.0
151.11163	9.4
156.09256	3.2
157.10109	12.0
158.10808	3.4
159.07936	1.4
159.11661	13.6
161.09593	64.6
161.13226	7.5
170.10863	1.9
171.11702	8.1
173.09491	1.1
173.11938	1.4
173.13248	18.0
175.11220	11.4
175.14792	19.2
176.25404	1.1
177.12672	5.5
179.10637	18.4
184.12392	1.5
187.11147	2.3
187.14734	3.8
189.12653	2.9
189.16347	27.0
191.06854	1.1
191.14270	3.0
191.17825	1.6
193.12123	1.9
193.15788	3.7
199.14784	15.9
202.13458	1.7
203.66891	1.2
217.15839	87.6
217.19305	3.7
218.10948	1.9
218.16104	1.6
235.16835	100.0
235.20107	7.6
236.17162	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.226
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03930	1.1
55.05497	12.1
57.07065	6.7
67.05491	16.0
69.07056	41.9
69.51880	6.5
71.08609	2.2
79.05470	6.1
81.07044	47.7
83.04948	0.9
83.08607	12.4
85.10162	0.8
91.05443	3.6
93.07020	11.6
95.04911	1.1
95.08589	100.0
96.08959	1.3
97.10159	5.3
105.07027	4.6
107.08573	24.2
109.06531	1.2
109.10136	30.1
111.11688	6.2
119.08559	3.2
121.06395	0.9
121.10125	30.0
123.11683	34.0
125.13215	2.7
129.07097	0.9
131.08519	2.3
133.10066	1.7
135.11668	12.5
137.13197	6.7
138.86070	0.8
145.10103	2.0
149.13228	10.1
151.14775	3.1
157.10088	1.1
159.11671	2.8
160.20769	0.8
163.14787	14.6
171.11635	1.5
177.16347	20.5
187.14809	1.9
191.17918	1.8
215.14333	1.2
215.17979	2.3
217.10741	1.7
233.05931	1.2
233.15421	6.0
233.19005	2.0
233.22585	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	234.1484
Annotation	Dexmethylphenidate
Peak:m/z	Relative Intensity
55.05504	7.6
56.74612	1.2
56.96559	1.1
57.03415	3.5
58.06590	4.5
59.60887	1.1
67.05498	2.0
69.07060	19.4
69.60909	7.4
72.08144	4.9
79.05473	3.9
81.07040	8.8
83.04962	1.6
91.05462	8.6
93.07027	2.3
94.04038	1.6
98.97541	2.6
102.04674	1.5
103.05444	4.3
105.07019	5.9
107.04942	2.7
107.08595	1.8
111.04422	3.3
111.45737	1.1
115.05408	6.1
116.98562	2.0
117.06983	3.3
118.06557	1.6
119.04936	1.8
119.08572	1.7
121.06487	5.9
123.04412	15.4
128.06215	2.6
128.07062	5.5
129.06987	20.5
130.04121	3.4
131.04912	13.1
133.06483	2.8
134.40633	1.1
136.06166	100.0
137.04547	3.5
137.05994	6.6
141.07021	1.2
143.04910	6.9
143.08543	6.9
144.05670	1.5
145.06480	5.6
146.05942	2.9
147.04369	14.4
147.08025	2.6
148.05165	9.5
149.04770	2.9
149.05962	39.1
151.07578	2.3
155.07016	3.0
156.09340	1.9
157.06479	15.3
158.99632	1.9
160.05124	6.2
161.05968	59.9
162.06744	12.0
163.07571	3.6
164.07045	90.7
170.07263	3.6
171.08044	6.3
171.11636	9.3
173.05937	2.4
173.08087	4.0
174.06720	2.1
175.07523	68.3
176.08208	1.7
177.00676	1.7
184.08868	2.1
188.08319	4.7
189.09015	5.8
190.10866	2.2
199.11177	11.0
200.04156	1.5
213.07820	3.6
217.10757	6.7
217.12268	74.4
222.08206	2.1
234.13156	34.7
234.14880	99.9
235.17015	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1168
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
51.57423	0.2
53.03938	0.5
55.01864	2.7
55.05506	0.7
57.03411	0.3
60.59883	0.3
64.01415	0.2
65.03941	0.8
67.05495	2.9
69.03424	1.0
69.07059	30.9
71.62522	0.4
71.62891	0.3
79.05482	6.8
81.03379	0.3
81.07052	2.1
83.04982	0.6
83.08624	0.4
85.06531	0.4
90.53100	0.2
91.05469	29.8
93.07038	1.6
95.04972	1.3
95.08597	1.6
97.06519	23.9
97.60517	0.2
103.05467	0.3
105.07016	1.7
107.04929	2.9
107.08596	1.6
109.06500	2.0
109.10155	0.9
111.04418	0.4
115.05438	0.5
117.07007	0.8
119.04929	15.6
119.08561	1.2
121.06479	1.2
121.10121	0.8
123.04384	0.6
123.08067	0.8
123.11728	0.4
127.07559	0.6
129.06987	0.3
131.08569	1.3
132.29903	0.3
133.06467	0.3
133.10101	1.4
135.04436	0.8
135.07988	0.5
135.11714	0.6
136.05203	1.8
137.05959	100.0
137.68761	0.3
138.06293	0.9
141.07001	0.5
143.08542	0.3
144.05701	0.4
145.06480	0.9
145.10110	1.7
147.04466	0.4
147.08032	0.6
147.11662	0.7
149.05940	1.1
149.09624	0.5
155.08443	0.2
157.10132	0.4
159.08093	0.3
159.11742	1.3
161.09627	0.3
163.03864	2.8
163.07523	0.7
163.11241	0.3
169.06331	0.3
169.10114	0.6
172.05179	0.6
173.05914	0.7
173.08246	0.3
173.09616	1.1
173.13228	1.0
175.07481	0.3
175.11172	0.6
186.06781	0.4
187.11145	0.8
187.14754	1.4
189.09145	0.5
191.07104	0.4
197.09506	0.3
197.18726	0.3
215.03291	0.5
215.10611	2.4
215.14288	0.9
233.04431	0.7
233.06903	6.4
233.11685	16.0
233.15215	3.6
233.18958	0.6
234.07239	0.5
234.12239	0.2
234.14915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1169
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
52.24257	0.3
53.00313	0.4
53.03942	0.6
55.01865	2.8
55.05502	1.2
57.03428	0.6
65.03930	1.0
67.05495	3.1
69.03414	1.3
69.07057	25.2
69.34492	0.3
69.34892	2.7
70.07416	0.3
71.04974	1.1
79.05482	9.5
81.07037	2.3
83.04978	1.0
85.02901	0.6
91.05466	32.7
93.07030	1.2
95.04956	1.5
95.08595	0.9
97.06516	37.8
101.43079	0.3
105.07021	2.0
107.04958	1.3
107.08576	0.9
109.02869	0.4
109.06496	2.6
109.10132	0.4
111.04400	0.5
115.05440	0.7
117.06991	1.5
119.04925	18.0
119.08537	1.6
121.05740	0.3
121.06457	1.5
121.10123	0.6
123.04398	0.4
123.08032	0.4
124.48183	0.3
126.35017	0.2
129.07001	0.6
130.07765	0.4
131.04903	0.8
131.08562	1.4
133.06451	0.6
133.10104	1.7
135.04393	1.5
135.08034	1.0
136.05219	1.6
137.05956	100.0
138.06277	1.1
142.07756	0.4
143.08549	0.5
144.05730	0.4
145.06427	1.1
145.10115	1.8
147.04391	1.6
147.08028	0.4
147.11670	0.6
149.05948	1.8
149.09570	0.5
157.10094	0.6
159.08029	0.8
159.11678	1.6
160.03912	1.9
161.05992	0.6
161.09511	0.4
163.03912	2.3
163.07526	0.9
169.10100	0.6
171.11598	0.4
172.05197	0.6
173.05949	0.8
173.09583	1.1
173.13217	1.5
175.11194	0.4
176.04575	0.6
177.05357	0.3
177.09023	0.5
177.12651	0.3
185.09467	0.3
186.06778	0.3
187.07449	0.5
187.11116	0.6
187.14804	1.2
189.09077	2.0
191.07022	1.0
197.09508	0.3
197.13330	0.4
200.04547	0.4
205.08589	0.9
205.12216	0.3
215.06963	0.4
215.10680	1.8
215.14220	1.2
215.17923	0.5
218.05901	0.3
222.08138	0.3
233.02654	0.5
233.08061	2.7
233.11678	15.9
233.15134	3.8
233.19023	0.5
234.11995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0805
Annotation	2-Hydroxy-7-methoxy-5-methyl-1-naphthoate
Peak:m/z	Relative Intensity
55.01857	0.9
55.05499	0.9
57.07064	0.3
60.93680	0.3
62.88415	0.3
62.88785	0.3
67.05494	1.0
68.99791	0.6
69.03417	0.7
69.07065	2.8
71.04977	0.6
71.42301	0.7
79.05486	2.0
81.07035	1.3
83.04978	0.5
85.06530	0.4
91.05470	4.7
93.07028	1.2
95.04962	1.2
95.08598	1.1
97.06517	4.5
105.07008	2.0
107.08578	1.6
109.06493	0.6
109.10188	0.5
111.04430	0.5
115.05442	1.1
116.06184	0.5
117.06994	1.4
117.50951	0.4
119.04906	1.3
119.08563	2.4
121.06477	1.2
121.10140	0.6
123.08024	0.5
129.06982	1.2
131.08540	4.6
133.10100	1.7
135.08031	0.6
135.11626	0.3
136.10846	0.4
137.05966	8.7
141.06992	2.6
143.08549	0.9
144.05702	2.4
144.09332	0.4
145.06471	6.7
145.10129	1.8
147.08005	0.6
147.11676	0.5
149.09625	0.8
157.10098	0.4
159.04387	0.5
159.08038	8.1
159.11699	1.4
163.07495	1.1
169.06438	4.0
169.07578	0.4
172.05151	5.7
173.06004	2.1
173.09610	1.0
173.13274	1.1
175.11154	0.6
176.04668	1.2
177.09062	0.4
187.07523	58.5
187.14825	1.2
188.07834	1.1
189.09079	0.5
190.06113	0.6
191.07013	12.6
197.06012	1.6
197.13239	1.2
198.06807	0.4
200.04678	12.2
205.08585	0.5
205.15822	0.4
215.07001	100.0
215.14113	2.3
216.07323	1.4
218.05717	0.8
233.08063	74.1
233.11809	3.4
233.15329	8.2
233.19002	0.9
234.08360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01854	0.7
55.05500	9.6
55.48803	0.4
57.03426	0.9
61.02900	0.4
69.03416	12.1
71.01322	1.1
71.04987	0.5
71.38113	0.9
78.98996	0.5
81.03428	0.5
81.07046	0.7
83.04964	62.3
84.05305	0.6
85.02880	3.8
87.00813	2.1
87.04436	0.5
89.02355	0.5
97.10117	0.4
101.05978	0.6
103.03930	0.5
105.03371	0.5
105.07011	0.5
105.35956	0.4
107.08574	0.5
109.91003	0.4
111.04420	100.0
112.04738	0.7
116.83305	0.4
119.08611	0.7
127.03918	1.2
129.05455	10.3
133.06497	0.5
135.07990	0.4
145.10107	0.7
153.05437	23.3
157.10126	0.5
171.06573	2.0
171.07797	0.5
171.11658	0.8
185.09549	0.6
185.13228	0.9
194.67792	0.4
231.08357	0.8
231.10260	0.8
231.13765	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.0
57.03432	1.2
57.07044	3.0
67.05490	16.1
69.07055	7.1
70.01242	5.3
76.45863	0.8
79.05468	4.2
81.07045	18.7
83.08602	3.6
83.19585	1.0
83.92956	1.0
91.05460	5.0
93.07030	18.4
95.08596	44.6
97.10143	1.1
105.07012	11.0
107.08578	20.7
109.10140	24.9
119.08571	9.0
121.10131	19.7
123.11697	19.9
131.43475	1.0
133.10104	9.6
135.11673	23.4
137.13217	4.4
147.11667	9.1
149.13249	11.4
157.10126	1.5
161.13219	12.1
175.14818	12.3
189.16362	8.4
231.13707	1.9
231.17322	2.5
231.21051	100.0
232.21321	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
58.99863	0.9
61.02911	1.6
61.22734	0.4
64.57413	0.6
68.98294	1.3
69.03403	0.9
70.06585	1.3
70.19058	1.3
70.19469	1.2
71.04964	0.4
72.08128	0.5
73.01413	0.6
73.02944	0.5
77.00894	0.9
81.03432	0.5
82.99419	0.5
82.99879	1.5
84.73776	0.4
85.01395	3.7
85.02897	1.4
85.06532	1.3
86.17777	0.5
86.99335	1.6
91.02454	0.9
95.01316	0.8
96.46770	0.4
97.02879	0.8
100.17297	0.4
101.00870	15.0
103.00625	1.2
103.02437	18.5
105.00384	1.6
109.03525	0.5
113.00838	1.2
113.02333	0.9
115.02414	0.8
117.03984	7.5
119.01909	60.9
120.01975	1.0
121.01652	2.2
121.03469	10.2
127.02436	2.2
129.00310	2.2
131.01898	4.1
133.01671	0.5
133.03467	5.1
133.04402	0.7
135.05032	8.5
137.02942	17.4
138.03130	0.6
139.02620	0.8
142.03482	1.3
142.54086	0.8
143.01892	1.8
145.03448	43.5
146.03740	0.6
147.01378	24.1
149.02953	1.2
151.04501	1.5
155.01839	0.4
157.03433	2.5
159.05017	1.0
161.02945	16.0
162.03040	0.8
163.04521	25.7
164.04375	0.8
165.02422	7.4
168.05037	1.3
170.03000	0.7
171.01367	15.0
173.03014	2.8
175.24013	0.5
177.02475	0.5
177.06027	1.0
179.03993	5.3
183.03568	1.0
185.02943	3.1
185.06601	2.1
187.04521	3.2
189.02429	100.0
190.02591	1.8
191.03999	1.3
194.56514	0.8
199.00865	1.0
199.04604	0.5
201.02426	1.0
203.03992	2.5
203.07655	3.0
205.05560	1.6
207.03491	25.3
208.04576	2.6
212.04059	3.8
213.02409	0.7
217.00063	0.5
219.03397	1.2
223.06680	0.8
226.05583	0.6
230.05031	0.6
231.03487	42.4
231.07170	1.5
231.15994	1.6
231.58301	0.6
232.03606	1.1
249.04543	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	231.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41043	0.6
55.01861	0.9
56.96547	1.0
58.99831	0.7
67.05479	1.2
68.98265	1.1
69.03405	0.9
70.38239	2.8
72.08107	0.7
77.00924	0.7
81.20043	0.7
82.99839	1.5
83.31301	0.6
84.08122	0.8
85.01397	4.0
85.02897	0.6
85.06519	2.3
86.99310	1.4
95.01316	0.6
97.01334	0.7
101.00850	13.3
103.02428	17.2
105.00338	1.3
112.07545	1.0
117.03977	7.8
119.01902	56.6
120.01961	1.6
121.03457	11.2
127.02390	3.6
129.00349	2.0
131.01898	3.9
133.03452	4.5
135.05032	9.0
137.01947	1.1
137.02936	16.7
139.49791	0.6
142.03522	0.8
143.01872	1.6
143.49387	0.6
144.05109	1.0
145.03439	40.0
146.03441	0.7
147.00188	1.1
147.01363	22.4
149.02950	0.9
151.04497	2.2
153.05658	0.8
157.03445	1.2
161.02933	16.6
163.04547	25.0
164.04286	1.1
165.02403	8.2
168.05020	1.2
170.03070	0.9
171.01352	12.4
173.02890	2.8
175.04553	1.0
179.03998	4.5
183.03508	1.6
185.02895	1.2
185.06651	3.0
187.04524	2.4
189.02420	100.0
190.02550	1.2
191.04047	2.1
203.03883	0.8
203.07648	4.1
205.05608	0.8
207.03473	25.3
208.04640	1.1
212.04016	3.3
219.03481	0.7
231.03465	43.7
231.07124	2.2
232.03539	1.0
249.04518	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	230.1536
Annotation	Neopellitorine A
Peak:m/z	Relative Intensity
53.03934	1.6
55.05494	1.5
59.86679	0.9
61.82320	1.0
69.03400	2.4
71.61633	1.3
81.03399	2.0
89.71267	1.1
91.05460	3.4
93.07037	2.2
95.04962	2.4
97.02882	2.0
105.03371	23.3
105.07014	8.5
107.08588	1.5
109.02837	1.6
110.63589	1.1
117.07005	2.0
119.08561	15.4
128.06180	1.2
130.07744	2.6
131.08548	3.6
133.06473	8.3
133.10109	2.2
143.08507	2.0
145.10112	21.0
147.07983	2.5
147.11664	36.9
149.80914	1.1
156.09296	8.1
159.08031	1.9
171.11703	6.9
174.10326	2.7
181.49855	1.1
184.07501	1.8
189.12718	75.9
230.15370	100.0
231.06468	4.8
231.15749	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.4
69.03408	2.6
69.72697	3.9
69.73129	3.2
70.06577	2.0
81.03397	2.8
91.05474	5.1
93.07021	2.1
93.28206	1.2
95.04935	2.3
97.02882	1.6
105.03376	37.9
105.07014	7.3
109.02856	2.9
109.06500	2.3
117.06992	2.7
119.08553	16.4
128.06221	1.3
129.06999	1.6
130.07741	1.5
131.08525	2.6
133.06456	9.3
133.10085	2.0
143.08507	1.5
145.10100	21.2
147.08052	2.7
147.11664	34.0
156.09320	7.1
158.63551	1.4
159.07979	1.8
171.11694	6.4
174.10332	3.2
184.07487	3.3
189.12714	83.1
190.13010	1.6
230.15367	100.0
231.06493	12.4
231.15636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01858	0.5
55.05502	0.4
57.03423	0.4
58.06339	0.3
58.06597	4.6
59.07368	1.1
60.08160	6.1
61.02913	0.4
68.05008	0.6
69.03403	0.7
69.93888	0.8
69.94299	0.5
70.06590	28.1
72.08149	0.3
72.19927	0.2
73.02902	0.4
73.06549	0.4
73.36926	0.2
81.04538	0.3
85.02892	0.8
95.06074	0.7
96.08121	0.8
97.02908	0.3
98.06032	0.6
101.00903	1.0
114.05532	3.1
114.09132	1.5
116.07073	0.7
119.01920	3.2
120.02064	0.3
121.02859	0.2
124.07577	2.8
126.09142	0.6
127.05003	0.6
131.01891	0.3
140.72081	0.2
142.08629	26.4
143.01892	0.3
143.08955	0.3
157.03442	0.5
161.03001	0.3
163.05222	0.5
163.55360	0.4
168.99782	0.3
169.07120	0.5
170.08163	1.3
175.04494	0.3
183.11292	0.8
184.00772	0.2
184.05771	0.3
184.55847	0.2
187.00865	0.8
205.02008	0.3
215.00424	0.6
223.06644	0.9
229.15459	100.0
230.15836	1.7
241.07704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1794
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
50.24002	2.3
55.05503	20.4
57.03423	3.2
57.07053	5.6
59.04984	2.5
67.05503	15.5
69.03415	9.3
69.07056	5.4
70.06567	2.1
70.65647	4.2
70.66051	6.1
71.04984	7.3
78.71294	2.2
79.05460	3.4
81.03394	3.8
81.07037	17.5
83.04964	8.2
83.08597	10.4
85.00712	2.4
85.06535	12.7
91.05431	3.1
93.07039	10.2
94.04200	2.5
95.04958	9.6
95.08594	29.7
97.06494	2.8
99.04427	8.2
99.08083	100.0
100.11217	2.4
101.05981	4.5
101.11564	3.8
104.07083	2.2
105.07008	6.4
107.08586	11.6
109.06529	2.9
109.10143	45.3
111.08040	3.1
113.09638	2.3
119.08575	10.8
121.10146	6.5
123.11681	7.7
125.09633	10.9
127.11143	5.1
133.10117	16.6
135.11673	21.1
137.09648	15.1
145.01593	3.0
145.10081	3.3
146.19060	2.3
147.11658	4.5
149.13257	4.7
151.11115	3.4
151.14830	6.6
153.12724	2.9
155.08539	2.9
155.10626	14.7
157.10115	3.6
165.12723	3.2
168.41139	2.3
175.14828	14.5
183.11662	6.0
183.15697	7.6
188.72585	2.6
193.15858	34.9
211.15091	8.1
211.16910	72.2
229.08524	4.6
229.12212	6.3
229.15959	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	229.1793
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
52.63863	1.5
53.03932	1.5
55.01861	1.8
55.05504	54.5
57.03423	4.5
57.07063	6.8
59.05003	10.5
63.47840	1.3
67.05499	25.1
69.03421	13.8
69.07055	23.0
69.79652	9.7
71.04981	11.9
71.08604	1.3
79.05492	5.7
81.07041	19.8
83.04971	54.7
83.08613	35.4
84.49665	1.2
85.06530	26.3
87.04458	2.6
91.05480	2.7
93.07035	14.7
93.55104	1.4
95.04962	8.5
95.08599	19.5
97.06493	3.7
97.10150	8.3
99.08086	14.5
101.06032	10.6
105.07040	4.0
107.08580	30.9
109.06479	2.3
109.10142	83.4
111.08070	9.2
111.11705	1.8
113.05989	2.3
119.08560	11.7
121.10139	11.5
123.08068	1.6
123.11692	35.6
125.09630	14.8
125.13300	1.9
127.11178	35.3
133.10071	7.8
135.11678	30.8
137.09615	5.2
139.11142	1.4
141.12750	1.7
147.11664	2.7
149.13243	16.1
151.11139	9.1
151.14815	3.9
153.12712	16.8
155.10619	3.6
165.16457	1.7
167.14305	34.8
169.10802	3.1
169.12227	55.1
171.13774	4.6
173.13251	2.0
175.14804	13.6
176.72289	1.4
185.15311	14.9
193.15875	26.8
210.09151	1.4
211.16907	100.0
212.17270	2.2
229.12253	1.7
229.14308	2.0
229.17918	31.3
231.17299	1.5
236.35283	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79852	0.2
55.01858	0.5
55.05485	0.8
56.96547	0.2
57.03408	0.5
58.06589	4.5
59.07360	1.1
59.07611	0.2
60.08152	5.8
61.02896	0.6
61.80534	0.2
61.98207	0.2
62.23450	0.2
62.77064	0.2
65.03923	0.3
68.05009	0.7
69.03403	0.6
69.32679	0.2
70.06577	28.0
70.17701	1.1
72.08147	0.4
73.02882	0.6
80.63120	0.2
81.01917	0.2
81.03378	0.3
85.02903	1.2
93.01793	0.2
96.08111	0.9
97.02850	0.7
98.06033	0.4
98.21430	0.3
98.97564	0.7
101.00856	1.7
109.02826	0.3
111.02872	0.3
114.05503	3.5
114.09157	1.4
116.07062	0.6
116.98579	0.4
119.01895	5.6
120.01872	0.5
120.64790	0.2
121.01598	0.2
121.02850	4.1
124.07569	2.2
126.09122	0.6
127.03891	0.3
131.01843	0.9
133.01590	0.3
133.03432	0.8
135.04393	0.3
137.02916	1.0
142.08606	26.1
143.01875	0.5
144.99854	0.3
145.03426	1.1
148.04671	0.3
148.06523	0.6
154.04741	0.2
157.03445	0.9
159.03130	0.3
161.02910	0.6
163.02689	0.3
163.03876	1.2
163.05226	0.6
168.99815	0.6
169.07069	0.5
169.57230	0.3
170.08147	1.3
175.04419	0.6
177.02455	0.3
184.05725	0.5
187.00833	1.1
187.04411	0.5
197.00919	0.3
205.01860	0.4
205.05467	0.3
212.07585	0.2
215.00305	0.8
223.06606	0.7
229.15425	100.0
230.08835	0.3
230.15834	1.6
233.05006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1431
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.61914	2.2
52.57628	2.3
52.67554	2.2
55.01854	7.4
55.05507	15.3
57.03432	11.2
57.07069	6.2
61.25804	2.3
67.05501	60.3
69.03394	3.5
69.07062	18.5
70.06577	5.2
70.97147	6.7
71.04975	8.4
79.05485	13.1
79.17658	2.2
81.07048	88.1
83.04949	6.6
83.08618	11.5
85.02908	2.4
85.06527	6.9
88.07614	5.3
89.80635	2.7
90.38725	2.3
91.05473	30.4
93.07040	16.0
95.04951	4.9
95.08598	26.1
95.83216	2.3
96.64287	2.3
97.06526	6.3
99.00801	6.7
99.08025	4.2
102.09171	4.0
105.07021	38.5
107.08565	18.1
109.06499	7.3
109.10153	34.0
117.07032	4.3
119.07792	3.3
119.08566	42.3
121.06513	2.3
121.10139	29.1
123.08037	2.9
123.11667	31.0
124.12021	2.8
125.09658	2.4
127.07539	3.7
129.06969	4.1
131.08517	8.2
133.10065	7.1
137.09622	4.4
137.13142	3.1
141.06992	6.2
143.08537	6.8
145.10080	7.0
147.11674	100.0
155.08546	10.4
155.10619	3.1
157.10107	9.5
159.11668	9.1
165.12750	43.8
167.08562	4.4
168.09329	4.4
169.10123	17.3
170.10892	3.2
171.11745	3.0
173.09645	4.2
173.11725	12.5
173.13246	7.3
175.11128	7.7
181.10120	9.4
182.10886	8.0
183.11691	14.7
183.13771	3.2
187.11098	3.1
187.14803	2.8
193.12305	5.0
196.12482	22.4
201.12679	3.7
211.11511	2.5
211.14827	40.8
211.16760	5.0
229.04834	4.2
229.08508	5.7
229.12198	10.6
229.14281	34.9
229.15891	39.1
229.19482	25.8
229.23532	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.143
Annotation	Herbarumin I
Peak:m/z	Relative Intensity
55.05507	8.4
57.03429	22.5
57.07074	1.3
59.04989	5.5
65.03930	1.4
67.05495	100.0
69.03421	0.8
69.07054	1.5
69.29546	9.2
70.93246	0.7
71.04975	3.2
79.05482	1.9
81.07050	14.3
83.08611	6.7
85.06538	2.2
91.05479	6.2
93.07053	3.5
95.04961	0.9
95.08591	5.8
98.21724	1.0
99.00774	1.0
99.08056	1.1
103.98746	0.7
105.07010	0.9
107.08584	1.8
109.10139	95.9
110.10485	1.6
111.08048	4.1
119.08572	7.6
131.08560	1.6
135.57509	0.7
137.09601	4.6
145.10028	0.8
155.10641	4.8
159.11641	1.1
173.10210	1.7
173.11719	34.9
173.13077	1.2
174.12074	0.9
182.03514	0.7
183.11615	2.3
186.96548	0.8
229.14287	45.9
229.19322	2.8
229.23459	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	229.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17898	0.3
53.03910	0.3
55.01868	0.6
55.05508	1.4
56.21721	0.3
57.03419	0.6
57.07058	0.5
64.79971	0.3
67.05490	1.5
69.03413	0.7
69.07042	1.2
69.76323	2.0
70.06567	0.8
71.04967	1.1
78.04706	1.9
79.05483	2.0
81.03403	0.7
81.07058	2.2
82.06552	0.7
83.04978	0.5
83.08598	1.1
84.08122	1.0
85.06521	1.6
86.09688	0.4
91.05457	2.2
93.07037	2.5
95.04954	2.0
95.08591	2.3
97.02898	0.7
97.06490	0.9
99.00821	0.7
99.04444	0.9
99.07458	0.5
99.08076	5.9
100.11257	0.5
101.11574	0.4
103.05437	1.1
105.07004	1.9
106.04153	1.3
107.04936	1.1
107.08562	1.2
109.02878	0.5
109.06503	1.1
109.10134	3.5
111.08052	1.0
119.04942	0.4
119.08544	1.1
121.06458	1.8
121.10134	0.4
123.04409	4.6
123.08071	1.4
123.11699	0.4
124.05195	1.7
125.05927	0.4
127.03922	0.3
128.06204	0.4
128.07060	1.5
129.06976	0.4
133.06444	1.0
133.10104	1.2
134.03606	0.5
135.04378	0.4
135.11661	1.0
137.05934	1.1
137.09612	1.0
139.11230	0.3
140.04666	1.2
141.06894	0.4
143.08546	0.5
145.10054	0.4
146.30391	0.3
147.08026	0.4
149.05980	1.9
151.03888	1.2
151.07567	0.7
152.04626	1.5
155.06995	0.7
155.10660	1.1
157.10173	0.3
161.05962	0.4
165.09113	1.0
165.12753	0.4
167.07010	100.0
168.07355	1.3
168.09340	0.3
169.08614	0.7
175.11029	0.3
175.14786	1.0
181.08585	2.6
181.61444	0.3
183.11743	0.9
187.11064	0.4
193.08594	2.5
193.15817	0.7
201.12720	0.5
211.09602	1.2
211.13246	0.6
211.16922	3.0
229.05055	0.5
229.08459	0.6
229.12170	1.5
229.15781	0.4
229.17996	0.7
229.23412	0.4
230.11710	0.4
239.09187	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1066
Annotation	Loganetin
Peak:m/z	Relative Intensity
53.03931	3.4
55.01846	5.0
55.05486	5.8
57.03409	3.8
57.07039	4.5
64.09101	1.6
64.09962	1.4
65.03915	3.2
65.77770	1.4
67.05492	12.4
69.03393	7.1
69.07043	7.6
70.06577	25.6
70.75572	3.4
70.75963	3.5
71.01323	2.0
71.04967	2.0
72.08124	2.4
73.02856	2.2
79.05479	14.7
81.03404	3.4
81.07049	13.1
83.04932	3.3
84.04492	2.8
84.08100	5.0
85.02872	4.5
85.06495	3.4
86.06056	1.7
86.09689	51.4
87.04432	1.5
91.05460	26.2
93.06475	1.8
93.07027	32.4
95.04941	11.2
95.06062	5.2
95.08030	1.9
95.08587	19.6
97.02840	5.2
97.06498	6.3
99.00795	8.3
99.04410	2.9
100.07525	2.3
102.18112	1.7
103.05398	2.7
105.07011	42.9
107.04922	6.5
107.08572	40.1
109.02822	5.4
109.05785	2.5
109.06495	48.8
109.10130	16.2
111.04405	3.4
111.08038	5.1
113.07086	5.0
113.96409	1.8
115.05457	3.8
116.07069	73.5
117.01820	2.1
117.06981	9.5
117.33257	2.0
119.04872	2.6
119.08559	86.9
121.02853	9.3
121.06472	15.6
121.10142	8.6
123.04379	4.4
123.07298	2.1
123.08039	22.9
125.05945	5.8
127.03886	2.4
129.06950	7.4
131.04907	1.9
131.08496	7.0
132.05589	1.8
133.06464	25.5
133.97479	2.4
135.04399	2.6
135.08029	57.4
137.05952	15.4
137.09589	20.0
139.07516	8.7
141.06929	1.8
141.08994	3.6
143.08507	2.2
144.01016	2.2
145.06404	7.0
145.10022	1.5
145.96634	2.4
147.08020	58.4
149.05968	7.6
149.09608	7.9
151.03816	2.7
151.07524	20.5
153.05399	3.4
153.08952	3.7
155.06995	19.4
155.08386	3.2
157.06430	1.9
157.09990	2.2
163.06290	1.9
163.07524	29.1
163.97673	5.1
165.09077	72.9
167.05620	2.6
167.07010	52.5
168.09280	3.2
169.08559	2.8
171.06329	1.6
173.05917	2.3
175.07516	20.1
181.08601	11.0
183.06401	1.6
183.10069	4.1
183.11620	8.8
183.14934	1.6
185.08083	11.9
187.11066	3.1
188.00101	1.7
188.21283	1.6
193.06796	3.3
193.08571	60.4
205.98761	9.6
206.00487	1.8
211.07596	2.9
211.09579	60.8
211.11476	3.3
212.09053	2.2
229.00232	2.8
229.08788	4.9
229.10620	100.0
229.15485	28.8
229.23363	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03902	1.5
55.01863	2.1
55.05503	13.8
56.15688	1.3
57.03417	2.0
57.07061	3.9
59.04982	2.7
59.28515	1.5
66.02636	1.4
67.05484	7.2
69.03416	6.1
69.07063	10.2
70.29131	6.7
70.29499	3.3
71.04977	6.7
79.05483	9.4
81.07048	16.5
83.01328	8.7
83.04975	12.0
83.08617	5.4
84.53690	1.5
85.06557	7.4
88.66698	1.3
91.05470	10.0
93.07028	20.0
95.04950	15.4
95.08604	14.4
97.06507	10.2
97.10146	2.7
99.04432	6.8
99.08086	37.7
100.11246	2.2
101.05997	13.3
105.07021	12.7
107.08583	34.3
109.06520	9.7
109.10141	15.0
111.08080	8.6
119.08559	6.5
121.06483	5.7
121.10132	47.3
123.08070	6.1
123.11674	8.8
125.05966	1.7
125.09603	15.1
131.08551	7.0
133.10109	25.7
135.08047	10.7
135.11685	5.3
136.08829	3.9
137.09566	11.6
137.13246	2.8
139.07582	7.4
139.11183	7.4
143.08557	2.9
145.10130	4.5
147.11661	3.9
149.06023	2.3
149.09610	49.4
149.13235	13.9
151.11176	16.0
153.09061	8.8
155.10652	2.9
158.10857	2.7
163.03706	1.8
163.11061	2.1
163.14781	18.5
165.12706	3.1
167.06990	12.9
167.10712	3.7
169.12195	1.6
171.10257	1.7
173.13231	14.6
177.05472	2.8
181.15877	8.2
191.14276	34.4
209.08015	4.5
209.15332	100.0
223.39203	1.5
227.16479	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	229.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
54.43181	0.8
54.51757	0.8
55.01657	0.8
55.01867	8.3
55.05505	26.5
55.83741	0.8
56.96550	1.8
57.03428	30.9
57.07062	4.7
58.06590	4.5
59.04969	1.2
59.07362	1.6
60.08146	4.5
61.02675	0.9
61.02913	9.0
65.03918	3.8
67.05497	13.7
68.99770	1.5
69.03419	69.6
69.07055	9.9
69.79278	0.8
70.03738	1.1
70.06580	24.9
70.17219	3.7
71.01344	4.9
71.04986	16.8
72.08140	1.7
73.02907	14.9
73.06539	11.7
77.00904	1.3
79.05473	13.0
81.03405	26.3
81.07041	15.6
83.01334	2.6
83.04968	17.1
84.04468	1.9
84.08121	2.8
85.02891	48.7
85.06528	23.4
86.03230	1.8
86.09694	2.9
87.01850	1.5
87.04438	4.2
88.07626	1.1
91.03941	1.4
91.05464	14.8
92.05788	0.8
93.07026	17.9
94.02642	1.6
95.04359	1.2
95.04955	13.7
95.08587	8.8
96.08118	1.7
97.02874	35.9
97.06503	11.7
98.03232	1.0
98.21439	1.4
98.97558	4.2
99.00792	2.4
99.04438	16.8
100.02576	1.2
101.00877	4.5
101.02370	1.5
101.05991	1.7
102.02408	1.8
103.03179	2.3
103.03904	2.3
103.53245	1.2
105.07012	10.0
107.04946	4.4
107.08559	3.8
109.02845	8.6
109.06497	15.6
109.10139	2.6
111.02883	3.3
111.04406	10.4
111.08041	3.6
112.07568	3.1
113.02486	1.2
113.05954	0.9
114.05502	3.0
114.09113	1.4
115.02417	1.9
115.03898	3.7
115.05379	1.5
116.07062	4.3
116.98592	3.9
117.04679	1.2
117.05473	0.9
117.06992	5.5
119.01903	19.1
119.04939	1.9
119.08556	10.5
120.02014	1.9
121.01609	1.8
121.01893	1.5
121.02843	21.0
121.04135	1.3
121.06496	14.7
123.04387	5.0
123.08047	10.2
124.07584	3.6
125.05952	3.5
126.05250	2.6
127.03901	37.6
128.98564	1.0
129.05463	8.4
129.06975	3.5
130.08601	1.9
131.01869	4.2
131.97443	1.3
133.01662	2.1
133.03416	1.3
133.04213	3.2
133.06462	5.0
133.52806	1.0
133.54260	1.8
134.99617	1.7
135.04456	2.0
135.08046	6.2
137.02930	3.6
137.05952	6.2
137.09576	2.6
138.05281	1.2
139.04164	2.2
139.05943	1.5
139.07532	3.7
141.06993	1.4
142.04655	1.9
142.07545	1.6
142.08612	22.8
143.01820	4.2
143.08542	1.6
144.02049	1.5
145.01653	1.2
145.03400	6.9
145.05009	7.1
145.06451	1.6
145.96652	2.0
146.05995	7.9
147.04353	3.1
147.08023	10.6
147.11639	1.3
148.04720	3.0
148.06534	6.4
148.56624	1.9
149.02968	1.2
151.07501	9.5
153.05434	1.4
153.08955	1.0
154.04691	2.5
155.04559	1.3
155.08363	1.4
157.03436	10.5
158.03534	1.5
158.06549	1.4
158.99535	1.0
160.06523	1.0
161.02921	7.9
162.03102	1.5
163.02701	1.6
163.03908	4.9
163.05243	9.5
163.07437	5.9
163.55385	1.7
165.02023	1.3
165.09061	3.6
166.04701	1.0
167.07025	14.0
169.03505	1.4
169.07063	9.9
169.57112	1.6
170.08061	1.3
171.04951	1.6
171.06456	1.2
173.02943	3.0
173.06564	1.3
175.03004	1.2
175.04459	6.6
175.07553	4.2
176.04591	1.6
176.07695	1.4
177.00700	1.9
181.08549	2.7
182.02664	3.8
183.03041	15.0
183.04849	1.9
183.11578	3.2
183.14938	6.0
183.55328	1.2
184.02271	1.7
184.05791	11.3
184.55873	2.9
185.02902	1.9
185.06601	1.1
187.00876	1.8
187.04543	4.0
188.07729	1.9
190.04929	1.7
191.07628	1.3
192.56085	1.4
193.04439	1.5
193.08601	4.7
201.05524	1.0
202.04945	1.8
205.05582	5.6
205.98747	4.3
208.04945	2.0
211.09636	5.8
212.07587	4.0
215.03967	1.8
217.05472	2.5
220.08678	1.3
221.05040	1.7
222.05936	1.0
223.04492	1.3
223.06609	15.9
224.06781	3.4
229.05386	2.2
229.08864	3.2
229.10701	10.5
229.15434	100.0
230.08696	4.0
233.05014	3.5
235.06633	1.1
241.07668	5.4
247.06697	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01847	4.1
55.05499	12.0
57.03413	4.6
57.07055	4.8
59.04979	2.8
65.03922	5.9
67.05489	10.0
69.03405	6.0
69.07051	9.9
70.01685	7.1
71.04977	13.6
73.02907	24.2
73.06554	1.4
74.03207	1.3
78.04695	1.5
79.05477	9.9
81.07027	14.5
83.04958	6.1
83.08604	5.9
85.02900	4.2
85.06544	6.7
91.05449	16.7
93.03361	2.0
93.07030	19.2
95.04950	64.4
95.08595	11.1
97.02867	3.0
97.06507	16.2
97.10160	4.2
98.20765	1.8
99.04436	11.0
99.08070	18.0
100.11232	30.3
103.05455	7.4
105.06993	9.3
106.04118	2.0
107.04916	5.3
107.08559	16.1
108.08060	1.6
109.06483	14.3
109.10149	7.3
110.03616	2.7
111.04395	2.5
111.08082	7.2
113.09635	2.5
115.07554	5.5
117.07042	2.0
119.04912	2.3
119.08552	6.7
120.05202	1.3
121.05634	2.1
121.06482	19.2
121.10132	19.7
123.04409	11.7
123.08056	4.8
123.11655	7.9
124.05225	3.2
125.02336	1.9
125.05959	3.2
125.09605	7.5
127.07538	10.4
131.04913	4.6
131.08548	4.6
133.10107	23.0
134.03600	1.9
135.04343	1.7
135.08034	5.0
135.11661	6.8
137.05933	9.2
137.09570	3.0
138.03133	1.4
139.03859	2.5
139.07532	1.7
139.11140	6.6
140.04660	31.3
143.10664	3.3
145.10069	2.3
147.04370	1.6
147.11656	5.2
148.05147	2.2
149.05952	14.7
149.09589	5.4
149.13235	9.8
151.03868	1.7
151.11197	4.4
153.05444	2.4
153.09082	20.7
155.07002	47.3
158.10988	1.6
159.04382	3.8
161.02885	1.7
163.11131	1.9
163.14780	3.0
165.05359	1.6
165.12726	2.6
166.06212	2.3
167.07011	100.0
167.10623	2.6
168.07332	1.9
169.12184	1.4
171.06526	3.0
171.10109	9.6
173.08067	4.0
173.13240	10.2
177.05466	27.1
179.06982	4.3
181.04912	64.3
181.08475	4.8
182.05298	3.3
191.07002	3.1
191.14253	11.2
197.08994	1.4
209.08173	25.1
209.11462	2.8
209.15103	17.1
227.09091	22.0
227.16197	44.9
249.57138	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1637
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01862	2.4
55.05497	18.8
57.03439	2.4
57.07063	2.1
59.04989	3.2
67.05483	5.8
67.96732	1.2
69.03416	4.2
69.07056	9.4
69.75170	7.9
69.75573	2.8
71.04968	7.1
76.45979	1.3
79.05497	9.0
79.05934	1.8
81.07034	12.4
83.01339	10.6
83.04971	15.5
83.08609	6.1
85.02866	1.4
85.06535	6.7
85.46565	1.4
91.05456	7.0
93.07020	18.2
95.04950	8.3
95.08589	9.2
97.06528	10.5
97.10142	2.5
99.04439	9.7
99.08081	34.0
100.11218	4.0
101.06002	6.6
102.10173	1.3
103.05429	1.5
105.07019	11.3
107.04903	1.7
107.08579	32.1
109.06509	8.9
109.10126	16.7
111.08057	6.5
113.05997	1.6
115.07520	3.6
119.08572	6.2
121.06487	5.8
121.09304	2.4
121.10131	43.1
123.08050	4.6
123.11687	7.7
125.05997	1.6
125.09595	16.7
131.08586	6.8
133.10107	33.7
135.08035	12.4
135.11658	7.8
136.08842	2.0
137.09593	10.1
137.13193	3.8
139.07524	8.1
139.11163	7.3
144.09261	1.2
145.10097	2.7
147.11705	3.2
147.41484	1.6
149.05945	2.0
149.09602	38.3
149.13211	11.9
151.11166	14.9
153.09099	8.9
155.10658	1.8
158.10870	2.2
163.11086	2.4
163.14786	15.3
167.07010	17.4
167.10654	1.8
167.14310	6.6
169.12193	9.0
171.10069	1.6
173.13223	16.0
177.05420	6.1
181.15852	6.6
191.12631	2.5
191.14261	30.1
209.07994	4.9
209.15326	100.0
210.15718	1.9
227.16156	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	227.1638
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.46936	0.8
55.05492	5.3
57.07063	3.1
59.04982	1.5
67.05495	3.9
68.53335	0.9
69.03410	3.9
69.07054	14.9
69.67494	1.8
69.67902	4.7
71.04985	2.2
79.05483	7.2
81.07041	24.7
81.68029	0.9
83.04958	1.8
83.08607	1.1
85.06514	1.5
87.04453	11.8
91.05445	4.8
93.07029	34.3
95.04961	6.7
95.08598	11.9
97.06507	3.9
97.10178	1.3
99.04420	1.6
99.08096	1.7
103.05444	1.4
105.03401	1.0
105.07015	11.5
107.04969	1.1
107.08578	10.4
109.06503	4.3
109.10134	4.0
111.04430	0.9
111.08089	1.8
111.11704	5.2
119.08565	4.9
121.06502	1.7
121.10124	65.0
122.10432	1.2
123.08052	5.6
123.11681	55.5
124.12040	1.1
125.09627	2.7
127.11209	1.2
131.08553	1.3
133.10121	5.1
135.08032	2.6
135.11641	1.8
137.09596	3.0
137.13232	1.2
139.11169	4.2
140.04671	1.0
145.10150	1.4
147.11671	9.4
149.09601	34.7
149.13248	1.9
151.11163	32.3
153.09122	2.6
155.07014	2.8
163.11134	1.2
163.14903	1.0
165.12717	5.7
167.07016	6.4
167.10648	100.0
168.10973	1.9
169.12350	1.6
173.13234	3.7
174.66724	0.9
177.05432	2.0
181.04901	4.4
191.14250	5.6
209.07967	1.1
209.15356	6.1
227.09001	1.3
227.16365	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	227.1636
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01849	2.7
55.05489	4.6
57.03421	4.3
57.07058	3.4
57.39160	0.9
59.04981	4.0
65.03918	2.3
67.05502	5.0
69.03402	3.3
69.07057	9.6
71.04980	17.7
71.27909	2.0
73.02896	10.0
73.06545	1.3
75.04451	2.3
78.56995	0.9
79.05457	6.0
81.07037	12.8
83.04955	4.5
83.08598	4.5
85.06538	7.8
85.41038	1.0
91.05490	5.6
92.73060	1.1
93.07033	17.3
95.04951	100.0
95.08589	8.3
97.06518	17.2
97.10137	2.8
99.04443	15.4
99.08074	19.3
105.07000	8.2
107.08564	15.7
109.06499	15.3
109.10128	7.5
111.08055	4.3
113.09614	1.7
115.07561	5.7
116.58096	1.1
119.08557	6.2
121.06464	1.9
121.10122	19.2
123.04393	1.3
123.08033	2.6
123.11662	7.2
125.09603	8.7
125.13236	1.2
127.07550	9.2
131.08524	3.3
133.10106	24.0
134.10416	1.0
135.08032	4.6
135.11653	6.0
137.09613	3.1
139.11153	9.1
140.04660	9.1
143.10660	7.2
145.10091	2.3
147.11642	6.0
149.05939	2.2
149.09593	1.9
149.13196	7.3
151.11153	5.1
153.05447	1.6
153.09082	31.5
153.10327	1.7
153.12665	1.7
155.06993	16.6
163.07413	0.9
163.14795	4.3
165.12772	2.1
167.07027	11.4
167.14268	1.9
171.06534	1.9
171.10130	18.6
171.11446	0.6
173.08032	1.6
173.13251	11.6
177.05432	4.0
181.04924	21.6
191.14273	13.7
203.04143	1.2
209.08078	8.0
209.15334	25.8
216.58122	1.1
227.09146	8.0
227.16389	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.05492	5.3
57.03428	8.2
57.07055	3.7
59.04985	3.0
67.05492	6.0
69.00816	1.2
69.03399	2.5
69.07063	9.0
70.94248	2.8
70.94593	1.6
71.04989	17.6
73.06509	2.4
75.04465	2.6
79.05475	6.1
81.03426	1.5
81.07045	14.2
83.04962	4.9
83.08585	3.5
85.06553	9.4
91.05454	5.4
93.07032	15.3
94.92227	1.3
95.04960	100.0
95.08604	13.3
97.06521	19.2
97.10156	4.2
99.04439	15.9
99.08081	24.5
100.11156	1.4
103.91570	1.2
105.07007	8.0
107.04881	1.4
107.08584	20.0
109.06493	16.8
109.10144	11.8
111.08084	6.8
113.06009	1.4
113.09588	2.1
115.07557	4.0
119.08585	8.5
121.06522	2.2
121.10126	22.4
123.04355	2.5
123.08008	2.4
123.11665	5.0
124.37271	1.2
125.09618	11.9
127.07541	9.4
131.04898	1.4
131.08536	4.5
133.10121	28.4
135.08041	4.3
135.11702	7.0
137.09569	4.3
139.11165	11.5
143.10641	7.2
145.10051	2.0
147.11659	12.2
148.05190	2.6
149.05975	2.5
149.09586	3.7
149.13245	7.1
151.07454	1.2
151.11136	5.0
153.09094	32.2
153.12671	6.5
163.07597	2.3
163.14786	5.5
165.12714	2.5
167.07031	20.6
169.08528	1.6
171.10136	19.3
173.13243	15.4
177.05429	5.6
178.09868	4.4
181.04999	2.7
181.08568	11.8
191.14302	13.5
194.09358	2.7
202.80811	1.2
209.08057	2.2
209.11684	4.4
209.15329	21.1
227.16380	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1274
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.58840	0.5
53.03955	2.0
53.81266	0.4
55.01862	4.3
55.05500	8.9
55.05743	0.6
57.03444	1.8
57.07080	1.8
65.03949	1.1
67.05492	10.3
67.63206	0.5
69.03436	1.2
69.07053	6.9
69.49179	3.8
71.04974	2.5
71.08626	0.8
73.02897	2.6
77.03909	0.8
78.04710	2.0
79.05483	16.1
79.05955	0.8
81.03428	2.3
81.07046	14.5
83.04973	3.5
83.08612	6.2
85.02904	1.1
85.06537	1.4
89.03912	1.1
91.05465	10.4
91.05998	0.8
93.03407	0.7
93.07032	24.9
95.04955	7.7
95.08591	26.9
97.02895	2.1
97.06519	3.4
97.10169	1.8
99.04446	3.6
99.08131	0.6
100.11233	2.8
101.02370	1.2
103.05445	7.5
105.03366	0.9
105.04483	0.6
105.07014	5.0
106.04166	1.6
107.04938	9.9
107.08578	17.0
109.02802	0.5
109.06495	2.6
109.10117	3.0
111.04434	1.4
111.08053	1.3
113.05979	0.8
113.09631	0.7
117.03340	0.6
117.06996	5.5
119.04909	1.2
119.08548	6.7
120.05687	0.5
121.06491	14.8
121.10116	9.2
122.03639	0.7
123.04412	6.6
123.07992	0.6
123.11723	0.7
124.05212	2.4
125.02381	0.5
125.05994	2.5
125.09610	1.3
127.07499	0.7
129.07001	0.7
130.07791	0.7
131.04903	5.6
131.08562	0.8
133.02849	1.0
133.10133	2.2
134.03595	1.0
135.04407	1.6
135.08028	1.5
135.11668	30.8
137.05963	9.3
139.07533	1.9
140.04651	3.3
143.08577	2.2
145.02844	1.3
145.06425	0.7
145.10103	16.8
147.04323	0.9
148.05162	1.7
149.05960	13.5
149.07106	1.1
149.13231	0.6
151.03873	1.4
151.07423	0.5
151.11090	0.6
152.04637	2.1
153.09048	0.7
153.12750	0.9
155.07022	3.1
155.08186	0.5
156.09348	0.7
157.10094	1.9
159.04390	2.6
162.03145	0.9
163.03880	0.9
163.11154	41.8
164.11426	0.6
165.46822	0.5
166.06213	0.5
167.07011	100.0
168.07314	1.4
169.08636	0.9
171.11679	2.0
173.08130	0.6
173.09610	1.3
176.04692	0.8
177.05443	28.4
178.06049	0.6
179.06927	0.5
181.04909	2.4
181.06279	0.5
181.08582	1.8
181.12209	9.5
183.11655	0.5
185.13199	1.5
191.06992	1.3
191.10541	0.9
191.18025	0.6
194.05716	0.9
195.06537	0.9
199.25102	0.4
209.08078	10.4
209.11661	1.5
209.15240	1.0
209.78926	0.5
227.09015	2.4
227.12711	66.2
227.17752	5.5
228.13055	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.30299	0.6
53.03954	1.5
55.01859	5.4
55.05506	0.8
56.52467	0.6
57.03431	0.7
61.79980	0.6
65.03933	5.3
67.05513	3.3
68.99789	0.5
69.03410	1.1
69.07052	1.1
69.35585	7.3
71.04971	0.8
73.02904	40.2
78.19264	0.7
79.05471	1.3
81.07029	1.0
82.04188	2.5
85.02909	3.5
91.05471	2.8
93.03385	1.8
93.07047	2.7
95.04956	10.8
95.08616	0.8
97.02850	0.8
97.06502	2.9
98.20680	1.3
99.04436	1.4
103.05460	1.5
107.04915	1.8
107.08588	1.7
108.02094	1.2
109.06518	1.5
110.03650	3.0
111.04394	1.0
111.08090	1.5
116.89040	0.7
121.06483	2.3
121.10139	0.9
123.04408	9.0
123.08007	1.1
125.02353	2.4
125.05955	2.1
133.10095	2.1
135.08014	0.8
137.05975	1.3
138.03110	1.4
140.04657	46.6
141.05040	0.7
141.40182	0.7
142.02599	2.5
147.11682	0.9
149.05962	1.9
153.05426	3.5
153.09103	2.9
155.07002	73.0
156.07277	0.8
167.06998	9.5
171.06499	6.4
173.08075	6.2
173.13396	0.8
177.05458	2.8
179.07024	2.4
181.04922	100.0
181.08270	3.9
182.05238	1.1
184.54547	0.7
191.14243	1.2
209.08043	23.5
209.15318	1.8
222.24443	0.6
227.09088	27.8
227.12494	1.2
227.16199	3.1
228.09357	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.091
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03931	1.7
55.01862	3.0
55.05503	7.5
57.03442	1.3
57.07079	1.3
58.07763	0.3
65.03947	1.0
67.05494	9.6
69.03430	1.3
69.07057	5.6
69.07395	0.4
71.04994	2.3
71.08639	0.4
71.62152	0.6
73.02916	1.9
77.03928	0.4
78.04324	0.3
78.04691	1.8
79.05480	13.9
81.03392	1.8
81.06570	0.8
81.07045	12.5
81.07503	0.8
83.04976	2.5
83.08606	5.2
83.09048	0.5
83.40878	0.3
85.02917	0.4
85.06542	1.1
89.03925	1.1
91.05470	9.9
93.03422	0.5
93.07028	21.8
93.15288	0.4
94.04189	0.4
95.04948	6.8
95.08591	21.7
96.05766	0.4
97.02870	2.1
97.06517	2.8
97.10171	1.0
99.04448	2.7
99.08092	1.0
100.11250	2.8
101.02385	0.4
103.05457	6.3
105.03406	0.4
105.04563	0.7
105.07004	3.9
106.04148	1.6
106.90108	0.3
107.04942	7.9
107.08580	14.4
109.02914	0.5
109.06529	1.8
109.10149	2.4
111.04417	1.7
111.08084	1.5
111.11744	0.6
113.05996	0.6
113.09644	0.4
115.05401	0.4
117.03391	1.0
117.07000	3.8
119.04920	1.4
119.07751	0.6
119.08555	5.3
120.05727	0.5
121.06490	14.2
121.10119	7.8
122.03661	1.0
123.04425	5.7
123.08051	0.6
123.11651	0.8
124.05173	2.3
125.05985	2.1
125.09614	0.8
128.06194	0.6
129.06975	0.5
130.07777	1.2
131.04916	5.6
131.08553	0.9
131.97406	0.5
133.02814	1.1
133.10123	1.5
134.03596	1.8
135.04372	1.6
135.08047	1.3
135.11668	24.6
136.12024	0.4
137.05951	8.0
137.06912	0.6
137.09528	0.4
139.07541	1.2
139.11168	0.6
140.04651	3.2
141.06976	0.4
143.08537	2.0
145.02841	1.0
145.10106	14.2
147.04402	1.0
148.05196	1.9
149.04765	0.7
149.05957	13.9
149.09570	0.8
149.13200	0.7
151.03893	1.4
152.04633	1.5
153.05408	0.5
153.06920	0.5
153.09116	0.6
153.12715	0.8
155.07051	2.9
155.08302	0.5
157.10138	1.4
159.04381	3.6
159.11620	0.5
162.03029	0.4
163.03886	1.3
163.11154	34.3
164.11520	0.4
165.05467	1.0
166.06200	0.8
167.07011	100.0
168.07346	1.2
169.08632	0.7
169.10025	0.5
171.07983	0.5
171.11639	1.6
173.09563	0.7
173.13251	0.5
176.04675	0.9
177.05452	27.8
178.06050	0.7
180.07784	0.5
181.04947	2.5
181.08554	1.1
181.12210	8.6
183.06544	0.5
185.09607	0.7
185.13237	1.0
191.06970	1.2
191.10640	0.8
191.14262	0.7
191.17915	0.5
194.05731	1.1
195.06497	0.8
209.08057	11.5
209.11595	1.1
209.15280	0.9
225.63084	0.3
227.06885	1.3
227.09042	3.7
227.12708	56.0
227.17723	4.8
228.13177	0.5
245.56772	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Annuionone A
Peak:m/z	Relative Intensity
52.26320	0.5
53.03922	0.8
55.05499	4.5
57.07062	0.9
59.04989	1.4
63.83347	0.6
65.03893	0.5
67.05497	2.2
69.03423	1.1
69.07064	2.0
69.29766	6.7
71.04984	35.1
79.05473	3.8
81.03409	1.7
81.07053	8.5
82.51740	0.5
83.04961	2.9
83.08607	7.2
85.02895	15.3
85.06541	0.7
87.04464	1.3
91.05467	4.3
93.07030	2.9
94.41919	0.6
95.04962	2.3
95.08600	7.4
97.06517	2.5
97.10164	0.8
99.04443	100.0
99.08102	0.8
100.04771	0.7
105.07018	4.5
107.04937	1.2
107.08582	39.2
109.06503	22.2
109.10152	2.2
110.88611	0.6
111.08054	0.9
113.09634	4.3
119.04905	1.6
119.08562	2.5
121.10132	15.3
122.60315	0.6
123.08054	33.5
123.11684	17.4
125.05949	1.1
125.09613	12.9
128.69997	0.6
131.08521	2.3
133.10110	1.0
135.11630	0.6
137.09561	2.4
137.13226	0.6
139.11168	8.1
141.12714	1.9
147.04411	1.1
147.11656	6.0
149.09610	16.6
151.07506	1.0
163.11131	1.3
165.09074	0.7
165.12729	11.5
167.10652	33.1
168.11084	0.6
169.10062	1.5
171.11732	0.6
171.54597	0.6
175.03902	2.2
180.04092	0.7
183.13783	31.2
184.14008	0.9
189.12701	3.2
192.04155	0.7
207.06538	3.3
207.13817	2.8
225.09273	0.6
225.14766	24.2
228.34476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05506	8.4
57.03418	1.5
59.04976	2.8
62.08824	1.2
65.03922	1.3
67.05494	7.6
69.03115	1.4
69.03429	14.7
69.07047	6.6
71.04986	36.8
71.53827	1.9
71.54170	2.0
79.05482	6.4
81.07050	13.8
83.04958	5.8
83.08607	7.5
85.02905	2.0
87.04464	1.9
91.05466	4.6
93.07025	12.7
95.04945	3.6
95.08592	13.3
97.06529	8.1
99.04442	100.0
99.08099	1.8
105.07022	15.9
107.04961	2.1
107.08583	37.8
109.06505	31.5
109.10140	6.0
111.08051	3.7
113.09632	4.4
119.08559	13.7
121.06475	4.8
121.10117	23.2
122.54617	1.4
123.04420	3.2
123.08062	26.9
123.11689	12.4
125.09622	7.3
131.08502	3.6
133.06490	3.4
133.10117	11.3
135.08026	5.8
135.11652	4.5
137.06009	1.5
137.09610	15.8
137.13245	2.2
139.11177	7.5
141.12730	1.4
145.10107	3.6
147.08032	5.6
147.11667	13.7
149.09610	15.6
151.07544	3.3
151.11121	2.5
156.09247	2.2
157.11514	1.5
159.07993	1.8
159.11732	2.1
161.13245	6.5
163.11127	6.3
165.09079	7.1
165.12744	15.4
167.10661	27.7
171.11656	2.9
171.25951	1.5
174.10422	2.0
181.12227	2.8
183.13785	38.7
189.12701	12.3
207.13756	14.1
225.12769	2.8
225.14832	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03941	3.6
55.01850	4.9
55.05507	14.7
57.03414	4.7
57.07057	3.6
59.04987	18.8
59.16110	2.8
61.02927	6.1
62.03852	3.3
67.05496	26.5
67.28584	2.9
69.03432	19.5
69.07049	13.5
69.43224	32.3
71.04985	8.6
79.05482	25.2
80.39816	3.9
81.03400	4.2
81.07048	34.1
83.04963	11.6
85.02891	24.7
85.06528	4.7
91.05463	33.0
93.07032	43.5
95.04965	16.8
95.08603	35.2
97.06505	5.1
97.34282	3.7
99.04460	6.5
101.05998	5.1
103.05478	7.5
105.07016	66.4
107.04941	6.8
107.08581	100.0
109.06519	35.0
109.10138	26.9
111.04441	3.6
111.08094	7.4
117.06997	4.7
119.04954	8.5
119.08572	60.6
121.06499	15.9
121.10106	33.9
121.10790	3.3
122.07277	3.9
123.08049	96.0
123.11674	21.8
125.05975	8.4
125.09618	8.0
131.08505	8.1
133.06503	8.8
133.10124	22.4
135.08046	41.2
135.11659	45.5
137.09598	91.1
137.13210	3.4
143.08511	8.1
145.10121	9.7
147.04326	3.3
147.08057	14.7
147.11671	34.5
149.09596	29.6
151.07504	11.3
151.11157	11.5
153.09070	21.4
156.09341	7.4
161.09543	3.8
161.13240	51.1
163.11148	19.7
165.09087	16.0
165.12801	4.8
167.10645	4.2
171.11662	14.3
175.03871	7.2
177.12735	11.5
181.08554	3.9
181.12201	9.6
189.12729	39.1
192.04164	3.9
196.74400	3.5
207.06541	11.4
207.13780	31.3
225.14790	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	225.1481
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05504	1.0
57.07065	1.9
58.86529	0.5
67.05485	2.8
69.03405	0.9
69.07066	1.3
71.04984	0.8
71.14140	1.5
77.29207	0.5
79.05486	2.2
81.07043	16.7
83.04947	1.1
83.08611	0.6
85.02891	100.0
85.06526	0.6
87.04526	0.5
91.05461	5.9
93.07035	2.3
95.04960	0.8
95.08590	5.3
99.04424	0.6
105.07013	2.9
107.08562	3.9
109.06484	1.2
109.10141	11.1
111.04412	0.6
119.04923	5.1
119.08595	3.2
121.06470	0.6
121.10127	8.5
123.08047	1.6
123.11687	83.9
124.12022	0.9
125.05977	5.5
125.09616	0.7
131.08501	0.9
132.02048	0.8
137.09641	0.7
139.11139	0.6
141.05461	0.6
145.10147	1.1
147.04379	4.1
147.08046	2.1
147.11655	4.1
149.02365	0.9
149.09590	9.2
151.07545	2.1
156.09282	0.8
161.09747	0.6
161.13225	1.7
164.04677	0.8
165.12737	1.2
167.10716	1.5
169.08611	1.0
171.11717	0.6
175.03899	7.5
179.14330	0.7
189.12729	4.3
192.04141	2.4
207.06473	13.1
207.13762	21.8
225.14780	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	225.148
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.45271	1.3
55.05495	5.8
57.07060	4.7
59.04973	4.4
60.07476	1.6
67.05493	23.6
69.03408	1.8
71.04969	1.5
71.14005	1.6
71.14353	3.5
79.05474	3.7
81.07043	15.9
83.04949	4.2
85.02888	60.1
85.06536	11.2
91.05436	3.0
93.07016	6.2
95.04977	2.3
95.08587	100.0
97.06527	2.6
105.07000	6.8
107.08588	9.0
109.06528	4.0
109.10151	8.6
113.05975	7.7
115.70580	1.4
119.04881	2.3
119.08565	16.3
121.06490	1.5
121.10134	12.3
123.08039	37.3
123.11681	58.4
125.05968	3.9
131.08528	2.7
133.10135	2.0
135.11682	10.0
137.09557	4.3
141.09111	5.4
145.10088	2.0
147.08011	2.8
147.11662	4.9
149.09583	23.1
151.07495	4.0
151.11177	2.1
151.14772	3.6
161.02921	1.9
161.13237	9.0
163.11205	2.1
165.09074	11.7
165.12744	5.4
171.11563	1.9
174.10373	1.8
175.03860	2.7
179.14319	3.3
189.12695	12.5
195.35947	1.4
207.06625	2.9
207.13750	24.1
225.14838	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	225.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80758	1.1
69.79496	8.7
82.99863	1.2
96.15736	1.3
98.20789	1.7
101.00858	20.9
118.01068	1.4
119.01897	100.0
120.01982	3.0
124.02469	3.3
137.02930	32.6
137.04015	1.8
141.31354	1.3
142.03476	61.6
143.03519	1.3
160.04507	22.1
161.02924	20.2
165.05136	2.0
177.00882	12.1
179.00702	1.7
179.03967	46.6
183.20105	1.2
184.04561	4.8
187.99147	1.5
190.49506	2.3
199.49974	14.5
200.00061	3.1
202.00549	1.7
202.05540	6.6
211.00865	5.5
215.94344	1.2
217.03893	1.5
219.01942	10.5
220.02147	2.4
239.00587	1.2
243.02019	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	225.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.0
55.05501	4.0
55.42466	1.5
56.96564	1.9
57.03427	13.4
57.77534	1.3
61.02921	8.5
64.81342	1.4
68.35535	1.3
69.03417	12.9
70.01350	6.2
71.04955	3.0
73.02908	13.5
77.00908	1.4
81.03401	5.4
81.07027	1.7
83.04980	2.4
85.02889	23.1
87.04452	1.3
87.31298	1.3
97.02874	10.6
98.20802	1.7
98.97569	1.6
99.04438	5.4
101.00866	20.4
102.01008	1.5
102.02290	2.7
102.52441	1.4
103.00620	1.4
103.02406	1.4
109.02887	4.0
111.02908	2.5
113.00869	2.5
115.02415	1.5
115.03940	2.6
119.01898	100.0
120.01974	2.2
121.01657	3.5
123.02872	1.4
124.02441	2.2
127.03892	11.7
131.01836	10.0
132.03488	1.7
133.03426	4.4
137.02933	30.1
137.04517	1.9
138.03413	1.7
142.03470	45.3
143.01830	8.5
144.01817	1.6
144.03369	2.0
145.03456	7.9
145.04926	3.7
147.05807	2.4
149.02849	2.2
150.05453	3.8
153.03943	2.3
155.01808	6.5
156.03337	1.9
157.03441	8.4
160.04543	17.5
161.02916	36.6
162.03018	3.6
163.02687	1.8
165.03870	2.8
165.05106	2.1
165.54037	2.2
167.01921	2.5
168.04573	1.6
169.03409	2.1
170.01138	1.9
173.02930	14.6
174.03091	1.9
174.04498	3.1
175.04500	4.6
177.00868	1.5
179.02412	1.9
179.03969	43.0
180.04204	1.8
183.04933	2.2
183.54973	1.9
184.04478	6.2
185.02977	10.1
186.03140	2.0
187.04472	2.6
191.03973	2.7
192.55644	5.6
193.05556	2.3
195.05101	2.2
197.03006	3.5
199.04364	2.3
201.55989	1.6
202.03842	3.5
202.05621	4.7
203.04007	12.0
207.06577	3.0
208.06006	1.8
215.04008	3.6
221.05070	4.7
222.05316	1.8
225.02516	2.5
225.06339	5.0
227.04022	3.1
243.07443	2.4
245.05049	7.9
246.05222	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	225.148
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03928	7.6
55.01854	3.6
55.05258	2.4
55.05501	23.5
56.74862	2.6
57.03437	4.4
57.07058	3.3
65.03918	3.3
67.05167	4.0
67.05495	45.8
69.07049	11.0
69.87431	2.0
71.04966	4.4
73.06530	4.2
79.05482	87.2
79.05952	4.6
81.03419	5.5
81.07048	42.2
83.04976	29.4
83.08611	8.6
85.02898	4.3
85.06508	4.5
91.05470	52.8
93.07034	100.0
93.07622	5.6
95.04956	30.3
95.08594	23.4
97.06540	3.6
97.10123	4.3
99.04437	6.1
101.95004	6.4
105.03362	3.7
105.04464	2.9
105.07021	50.5
107.04949	4.3
107.08576	26.3
109.06501	8.3
109.10134	5.7
117.06996	6.7
119.08562	22.2
119.96043	4.8
120.39347	2.1
121.06466	4.6
121.10094	7.0
123.08056	12.0
123.11753	3.0
127.07558	2.9
128.06261	2.7
129.06981	18.2
131.08604	3.4
133.10162	12.5
143.08589	11.7
145.10083	10.2
147.04340	2.3
147.08060	4.4
147.11670	52.0
161.09596	5.6
161.13222	16.3
165.12688	3.0
169.10172	3.4
171.11688	38.2
178.84508	2.1
179.14264	2.8
183.11668	4.9
189.12723	12.7
207.06467	4.0
207.13754	30.6
225.07350	3.1
225.14687	29.5
225.16156	3.9
233.42769	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	224.0915
Annotation	N-Acetyl-L-tyrosine
Peak:m/z	Relative Intensity
55.01864	0.7
55.05498	0.5
56.96554	1.1
57.03428	1.1
58.06570	0.4
60.04499	0.5
61.02927	1.1
62.06079	4.9
67.05495	0.8
69.03431	2.4
69.07068	1.1
70.06579	0.6
71.04987	0.4
72.08145	0.8
73.02903	1.6
74.02432	0.6
74.06063	0.5
76.03998	0.5
79.05486	2.7
81.03400	0.9
81.07053	0.8
83.04955	1.0
84.04475	0.7
84.08134	1.2
85.02889	5.5
85.06555	0.5
86.03221	1.2
86.06057	0.9
86.75854	0.4
87.04449	0.6
91.05463	8.0
93.07042	1.0
95.04961	3.7
95.08611	0.7
97.02872	2.6
98.97561	1.0
98.98454	0.9
99.04430	1.0
103.05457	5.4
104.07126	0.5
105.07011	16.4
107.04948	3.5
109.02886	1.0
109.06507	1.0
110.06008	1.4
111.04429	1.8
112.07581	0.7
115.05450	1.4
116.98597	0.6
117.05750	5.1
119.01932	3.0
119.04917	7.9
119.07320	2.9
120.08094	1.4
121.06500	2.1
121.10130	0.9
122.05988	0.6
123.04408	4.9
127.03923	0.9
128.04205	0.5
129.06995	0.6
129.10172	0.5
130.06502	4.3
131.01884	1.0
131.04921	2.7
132.08073	78.1
134.99599	0.5
136.07558	39.7
137.02997	1.1
137.05978	1.0
140.04631	0.5
142.03566	0.7
143.01810	0.6
145.03429	0.8
145.04927	0.9
146.99686	0.5
147.04395	3.7
149.02287	1.0
149.05948	0.8
150.00885	0.7
150.02684	0.7
150.05521	1.2
150.09142	1.3
151.07497	0.6
152.06967	0.5
153.03951	1.1
155.01917	0.6
160.07599	0.9
161.02948	1.9
161.13254	0.5
164.07013	0.7
165.05449	7.9
173.02887	0.7
175.03868	2.2
176.98265	1.2
177.00716	0.7
178.08609	100.0
179.03958	1.1
179.09053	0.7
182.08101	8.3
183.03102	0.8
184.04887	0.8
185.02991	0.6
192.04126	0.8
192.08791	0.7
194.11800	0.5
203.03922	0.9
206.04459	0.8
206.08115	1.4
206.10101	0.5
207.06483	3.1
218.99283	0.6
224.00671	0.6
224.05458	0.5
224.07187	0.9
224.09180	11.0
224.11038	0.7
224.12787	2.3
224.16431	0.9
225.07362	0.6
226.04288	1.9
228.02132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1325
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03928	3.3
55.01858	3.6
55.05500	14.6
57.03405	4.2
57.95715	2.0
59.04990	5.0
61.02919	4.0
67.05492	9.7
69.03428	14.5
69.07045	7.4
70.18775	8.9
71.04969	7.3
72.32922	2.3
73.82528	2.5
79.05486	10.1
81.03399	7.9
81.07028	8.8
83.01321	2.9
83.04967	19.6
83.08617	2.8
85.02882	25.3
85.06519	5.6
89.06005	3.9
91.05458	20.1
93.07026	41.6
95.04946	16.1
95.08577	18.0
97.06513	4.1
97.10139	9.9
101.06016	3.1
103.05438	2.2
105.07008	19.6
107.04916	4.5
107.08567	26.9
109.06497	39.7
109.10114	7.0
111.04416	2.7
111.08059	12.8
113.05981	12.4
117.07001	7.5
118.96783	1.9
119.08547	23.0
121.02847	2.0
121.06480	70.8
121.10112	20.2
122.07339	2.5
123.04406	2.7
123.08043	18.1
125.05962	2.8
125.09600	5.7
128.06204	3.6
129.06940	2.7
131.08531	8.7
133.10114	18.1
135.08022	36.7
135.11655	14.2
137.06035	1.8
137.09595	27.1
139.07504	7.8
143.08540	3.6
144.09305	3.4
145.10075	18.4
147.08020	9.1
149.02344	3.1
149.05948	4.8
149.09590	87.9
149.13219	5.5
151.11179	7.5
151.74078	2.2
153.09076	8.4
157.10184	2.1
159.11652	29.0
161.09596	22.3
163.07585	4.5
163.11131	36.0
163.60118	1.9
165.09071	35.0
167.07039	6.8
169.10159	2.5
172.08789	4.5
175.11102	6.0
177.09193	3.2
177.12729	32.9
179.10629	25.4
181.12259	3.8
187.11128	17.7
193.12177	2.9
195.13791	4.3
205.12196	61.3
206.12617	2.3
218.04340	2.0
223.13251	100.0
224.13551	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	223.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50558	4.5
55.05504	49.9
57.07067	39.2
59.03442	3.7
68.01050	4.2
69.06723	6.3
69.07063	100.0
71.08624	29.4
71.63360	6.3
81.07059	7.1
83.08598	70.4
83.09050	7.1
85.10151	5.1
95.08573	7.4
97.10155	60.1
111.11678	23.3
125.13258	8.4
127.56134	4.2
149.02303	9.8
155.20114	4.0
203.13930	4.2
223.16957	5.3
240.01454	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	223.1325
Annotation	Annuionone B
Peak:m/z	Relative Intensity
55.01855	3.7
55.05508	14.4
57.03424	4.5
59.04979	6.3
61.02903	5.1
67.05482	9.3
67.51797	2.3
69.03426	13.2
69.07063	11.5
69.71286	19.1
71.04973	4.0
73.28812	2.4
73.68186	2.0
77.34035	2.2
77.86436	2.2
79.05466	8.5
81.03392	3.9
81.07029	9.1
83.01354	2.9
83.04980	26.9
85.02890	22.8
85.06517	5.1
91.05453	20.2
93.07029	36.0
95.04954	19.8
95.08584	14.8
97.02843	4.0
97.06493	4.7
97.10136	11.0
105.07018	18.9
107.08571	21.3
109.06502	37.8
109.10141	6.2
111.08033	10.8
113.05979	9.9
114.65191	2.3
117.07007	8.9
119.08548	18.8
121.06482	64.3
121.10121	19.7
123.04411	4.5
123.08070	14.7
123.11682	2.6
125.09579	6.2
127.07501	3.3
129.06958	3.7
130.07780	3.4
131.08531	9.0
133.10103	19.8
135.08037	29.3
135.11671	11.2
137.09636	16.5
139.07512	8.0
143.08546	5.0
144.09280	3.6
145.10095	19.0
147.07983	7.5
149.02354	4.3
149.05974	3.6
149.09599	94.6
149.13240	6.3
151.11147	8.5
153.09071	5.0
153.12569	2.6
159.11662	22.5
161.09608	22.4
163.11166	34.8
165.07785	3.1
165.09106	36.3
167.07007	5.4
167.15001	2.2
172.08798	6.6
175.11205	5.0
177.12729	39.8
179.10648	27.6
187.11127	19.3
205.12193	63.6
205.15129	2.8
223.13255	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1324
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
55.01855	3.1
55.05488	7.7
58.58754	1.7
59.04971	3.6
67.05482	7.9
69.03420	11.1
69.07047	3.3
70.95765	5.6
71.95606	1.9
79.05470	5.4
81.03395	5.1
81.07027	6.9
83.04960	16.3
85.02876	8.6
85.06525	5.2
91.05458	12.6
93.07023	26.5
93.74913	2.0
95.04952	16.7
95.08569	9.0
97.06528	2.8
97.10163	3.5
105.07019	17.4
107.04939	2.7
107.08584	14.7
109.06500	46.9
109.10120	5.6
111.04420	2.3
111.08076	8.9
113.05995	15.3
115.82265	1.8
117.06990	7.3
119.08568	16.7
121.06472	43.6
121.10143	13.6
123.04366	3.2
123.08006	9.7
123.11670	3.6
125.09672	2.0
129.06964	2.1
130.07773	2.0
131.08539	6.7
133.10110	13.7
135.08022	31.8
135.11707	10.3
137.09587	24.9
139.07518	8.8
143.08533	2.8
144.09364	3.3
145.10092	14.0
147.08003	4.4
149.05980	3.4
149.08376	4.7
149.09590	100.0
149.13193	2.4
151.11150	7.8
153.09122	3.9
159.11670	17.6
161.09584	24.7
163.07474	2.4
163.11142	22.1
165.09106	10.8
167.07039	6.9
172.08853	2.0
175.11156	6.5
177.12720	24.7
179.10638	33.6
181.12163	2.5
187.11119	16.7
193.12285	2.4
195.13748	2.2
205.12193	50.7
223.13240	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1324
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.11264	1.5
50.12479	1.4
53.03921	2.2
55.01852	3.1
55.05483	6.3
57.03428	2.1
59.04980	5.6
67.02704	1.6
67.05476	7.3
68.62381	1.5
69.03410	10.8
69.07043	4.1
70.95832	4.1
71.04973	4.0
77.03902	1.7
79.05473	8.6
81.03388	3.8
81.07042	9.5
83.04971	16.8
85.02888	10.0
85.06528	3.5
87.04450	2.3
91.05460	15.0
93.07025	31.6
95.04946	15.6
95.08571	7.8
95.71468	1.6
97.06499	2.6
97.10134	2.6
98.97674	1.6
105.07012	19.7
107.04922	3.9
107.08572	20.2
109.06490	46.8
109.07238	2.3
109.10123	6.8
111.08076	8.7
113.05969	14.7
117.06992	6.1
119.08569	19.4
121.06481	46.4
121.10112	15.8
123.04404	2.6
123.08058	10.0
123.11622	2.2
128.06183	2.5
129.06985	3.4
131.08553	5.1
133.10112	19.8
133.57124	1.5
135.04315	2.0
135.08028	27.5
135.11697	8.4
137.05975	2.6
137.09584	21.2
139.07515	6.0
143.08533	3.6
144.09241	1.9
145.06479	2.8
145.10106	10.6
146.07227	2.9
146.11420	1.6
147.08037	6.3
149.05963	3.8
149.09592	100.0
149.13220	2.5
151.11171	8.9
153.09093	3.0
159.11644	18.3
161.09598	24.1
163.07481	2.1
163.11174	19.9
165.09077	11.3
167.07004	4.9
172.08752	3.5
175.11168	5.5
177.12714	20.0
179.10634	29.2
187.11166	15.1
193.12260	2.7
205.12193	45.1
213.63417	1.6
223.05984	3.6
223.13248	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	223.1326
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
50.27256	1.1
53.03937	6.3
55.01863	5.9
55.05507	7.6
57.03421	2.0
57.07059	4.1
59.04980	5.6
59.05241	1.0
61.02908	1.6
65.03918	1.7
65.95163	1.2
66.03870	1.3
67.05174	1.2
67.05499	14.6
68.99763	1.2
69.03423	13.4
69.07069	7.0
69.55998	10.3
71.04966	2.2
71.24874	1.2
73.02899	1.2
74.45246	1.1
77.03900	1.7
79.05482	11.0
81.03400	2.7
81.07047	10.7
83.04128	1.3
83.04971	24.4
83.08601	3.4
85.02870	5.5
85.06518	4.0
87.04410	1.7
89.06001	2.8
91.05473	33.9
93.07034	88.6
95.04960	21.2
95.08599	10.9
95.80502	1.4
97.02862	4.4
97.06510	9.2
98.21416	2.1
98.97559	2.5
99.04408	3.2
99.08065	1.7
101.05981	1.5
103.05457	5.8
105.03366	1.7
105.04478	2.1
105.07018	21.5
107.04906	3.5
107.08589	24.0
109.06503	10.7
109.10112	4.9
111.04424	2.9
111.08050	7.0
113.05964	5.1
115.05360	1.9
117.06996	10.6
119.04893	1.3
119.08555	15.6
121.01025	2.2
121.02834	2.2
121.06492	100.0
121.10122	16.7
123.04400	1.5
123.08057	6.2
123.11693	1.7
125.05943	1.6
125.09604	3.9
127.07536	10.1
129.06969	4.3
130.07706	1.6
131.04944	2.6
131.08528	8.3
131.27699	1.2
133.06433	2.9
133.10100	10.4
134.03633	1.5
135.08041	23.2
135.11646	5.6
137.09636	11.2
139.02058	1.5
139.03786	1.4
139.07541	9.7
140.14249	1.1
142.07751	3.4
143.08530	2.7
144.09286	4.8
145.06479	7.3
145.10118	11.4
147.08047	7.3
147.11641	2.9
149.00525	9.9
149.02318	6.7
149.05933	4.8
149.09605	38.2
149.13188	2.9
149.63655	1.3
151.03880	1.2
151.07498	2.4
151.09550	1.9
151.11095	2.4
153.09076	8.4
157.08630	1.5
157.10077	5.5
158.99594	1.8
159.08022	2.6
159.11687	20.2
161.05940	3.0
161.09578	5.4
163.07529	5.4
163.11160	10.1
165.09087	7.3
167.06984	2.9
169.09978	1.3
172.08774	3.7
173.05946	2.3
175.07480	2.7
175.11162	13.9
177.00684	1.5
177.09036	2.8
177.12715	12.5
178.06201	3.0
179.10680	13.0
181.08551	2.0
181.12190	1.9
187.11182	15.3
193.08594	1.9
193.12161	3.7
205.08543	2.7
205.12181	38.7
223.00525	8.6
223.05981	6.7
223.09651	2.3
223.11150	2.6
223.13223	46.9
225.04184	4.1
227.02274	1.6
241.01376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.001
Annotation	Unknow
Peak:m/z	Relative Intensity
61.18424	0.4
70.40681	1.1
86.64172	0.3
101.00902	0.4
119.01898	2.6
120.68028	0.3
120.95359	0.6
135.64522	0.3
138.96339	4.7
156.97449	84.5
157.97490	1.7
174.98505	100.0
175.98569	3.0
176.98921	0.5
179.99039	4.2
180.97414	1.5
180.98853	0.4
198.00127	3.6
198.98495	32.0
199.98711	0.6
211.70203	0.4
216.99551	83.7
217.99629	2.4
222.00046	1.4
240.01204	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	223.0741
Annotation	Acetamiprid
Peak:m/z	Relative Intensity
55.05507	1.0
56.05027	37.4
57.03417	0.3
57.07059	0.4
63.02370	0.5
67.05502	1.6
69.03422	7.3
69.07056	0.6
69.29408	1.2
69.29836	1.8
71.04995	0.5
72.98481	0.4
79.05477	1.0
81.03408	1.0
81.07044	2.4
82.45212	0.3
83.04978	1.3
83.08604	0.4
85.02903	1.0
85.06554	0.9
90.03432	3.3
91.04227	0.4
91.05486	0.9
93.07025	1.7
93.27854	0.3
95.04962	1.3
95.08595	2.2
97.02850	0.4
97.06508	0.6
98.99984	1.8
99.08081	0.7
105.07037	1.0
107.04949	0.7
107.08578	1.9
109.06517	0.8
109.10156	1.8
111.08058	2.0
113.05999	0.4
116.05347	0.3
116.35500	0.3
117.07042	0.6
119.08565	1.1
121.02846	0.4
121.06483	1.3
121.10139	1.6
123.08061	0.7
123.11678	0.4
125.05972	0.5
125.09663	0.4
126.01049	100.0
127.01411	0.7
129.06934	0.3
131.08563	0.4
133.10091	0.7
135.04382	0.4
135.07997	0.5
135.11690	1.3
137.09610	0.8
139.07544	1.2
139.11220	0.3
144.02113	1.5
145.10138	1.1
147.11665	0.8
149.02322	1.3
149.05972	0.4
149.09593	0.7
149.13243	0.5
151.09906	0.3
151.11082	0.3
155.03699	0.3
159.11684	0.8
163.03900	0.4
163.07573	0.3
163.11185	0.8
165.09062	0.3
167.07047	2.5
167.10648	0.5
177.05484	0.3
177.12744	0.9
181.05260	1.1
181.08606	1.0
181.12239	0.5
187.09637	1.5
187.14716	0.6
195.11867	0.4
196.06406	0.8
205.12215	1.6
205.15894	1.0
206.04799	0.6
223.07431	46.4
223.13182	3.1
223.16745	1.8
224.07635	0.7
225.04268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.58650	0.9
53.03933	2.1
55.05499	8.4
57.03411	1.2
57.07051	3.6
59.04969	1.0
67.05504	8.2
69.03405	2.7
69.07058	8.7
70.96268	1.0
71.04980	17.1
71.62572	0.8
71.62969	1.8
79.05479	16.7
81.03445	0.9
81.07044	57.5
83.04953	3.1
83.08630	4.7
85.06519	1.9
87.08100	1.7
91.05463	9.7
93.07027	29.8
95.04974	6.8
95.08590	25.9
97.06495	2.3
97.10120	1.1
97.83048	0.8
99.08073	4.7
99.41308	1.1
103.05434	1.7
105.07016	24.1
105.67858	1.1
107.04913	2.4
107.08577	54.9
109.06484	3.8
109.10142	22.3
111.08060	3.7
113.09624	1.6
117.06995	2.3
119.04886	1.3
119.08563	30.4
121.02779	1.5
121.06480	2.2
121.10133	8.4
123.08063	4.0
123.11694	12.8
125.09588	1.4
127.07477	1.0
127.11166	5.1
129.06976	1.4
131.04904	2.6
131.08591	1.7
133.06482	2.9
133.10112	21.3
135.04449	1.2
135.08060	2.0
135.11670	100.0
137.05940	2.8
137.09610	4.9
137.13231	3.8
139.11229	1.2
143.08521	1.2
145.10085	1.9
147.04356	2.5
147.08014	2.1
147.11674	16.6
149.02313	16.5
149.05995	1.8
149.13260	5.0
151.11127	2.6
152.25020	0.9
153.37010	1.0
157.10152	1.3
159.11687	1.2
160.05264	1.4
161.05960	3.2
161.09624	2.5
161.13242	11.4
162.06711	3.4
163.03900	4.1
163.11143	3.0
163.14786	2.9
165.09079	1.5
165.12764	1.8
175.03925	1.4
175.07462	2.9
175.14803	3.8
177.09087	10.1
177.16306	2.6
178.06236	2.5
179.10681	1.7
179.14204	0.9
189.05420	1.9
190.06262	7.1
191.03355	2.0
193.08565	5.8
203.10670	3.0
203.14313	2.8
203.17918	32.1
206.05751	4.3
206.16234	1.9
219.22156	0.9
221.04445	1.1
221.05959	0.9
221.08061	18.3
221.11743	5.8
221.15451	9.9
221.18976	32.0
222.11295	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1895
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.63692	1.1
52.28360	1.0
55.05502	7.1
57.02065	1.2
57.07052	2.5
62.74627	1.1
65.82883	1.0
67.05493	6.4
69.07061	9.0
70.07158	6.1
71.04982	20.0
71.94048	1.1
76.99796	1.2
79.05134	1.6
79.05484	15.9
81.07043	87.7
83.08595	3.4
91.05468	9.0
93.06460	2.0
93.07027	32.6
95.08592	23.5
97.06506	1.6
99.08071	4.9
105.07021	25.8
107.08575	55.1
109.09433	2.2
109.10139	22.2
111.08090	1.6
117.06952	1.9
119.08559	51.3
121.10135	6.6
123.11690	15.9
127.11152	9.9
133.10092	19.8
135.11671	100.0
137.13220	1.8
147.11664	21.8
149.13193	7.6
151.11182	1.8
161.13248	9.0
163.14786	3.2
165.12784	1.2
175.14726	1.3
177.16277	1.4
198.96646	1.1
203.17914	34.5
221.16803	2.0
221.18977	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03930	1.8
55.05503	9.1
57.03409	1.2
57.07054	4.2
59.04972	1.6
63.29652	1.3
66.67753	1.2
67.05483	8.3
69.03408	2.4
69.07054	11.3
71.04981	24.9
71.18020	3.2
79.05483	15.2
81.03439	1.1
81.07043	100.0
83.04947	3.6
83.08593	2.5
85.06533	1.4
91.05448	12.4
93.07027	38.0
95.04942	6.6
95.08594	18.5
97.02909	2.1
97.06506	3.9
98.97556	1.8
99.08056	5.5
105.03374	1.7
105.07014	44.6
107.07851	2.5
107.08572	43.5
109.06490	7.4
109.10136	27.5
111.08065	4.5
113.09599	1.7
115.05422	2.2
117.07005	4.6
119.08562	74.5
120.08926	1.3
120.54379	1.2
121.06467	3.6
121.10143	8.5
123.08026	4.6
123.11694	9.6
127.11214	10.4
131.04880	1.9
131.08574	2.4
133.06490	2.3
133.10104	20.5
135.08043	3.2
135.11667	69.3
137.05934	7.1
137.09576	3.1
137.13289	1.5
143.07411	1.4
143.08453	2.5
145.10081	3.5
147.04370	2.8
147.11664	25.7
149.02324	1.5
149.09641	1.9
149.13220	11.4
151.07535	2.5
151.11160	2.3
157.10130	2.9
159.11684	2.6
161.05962	5.5
161.09601	5.5
161.13263	8.1
161.14426	1.5
163.07411	1.5
163.14815	2.6
165.06944	1.7
165.23212	1.4
175.07445	1.7
175.08766	1.5
175.11186	2.8
175.14772	6.2
177.09102	15.0
179.10655	4.1
185.09601	1.8
185.13177	1.3
193.08653	2.3
193.12308	1.5
193.15689	1.5
201.07733	1.8
203.06979	1.7
203.10686	4.4
203.14293	2.0
203.17912	41.6
206.16148	2.0
221.04453	2.8
221.07999	6.6
221.11713	12.6
221.15512	9.2
221.18977	47.3
234.10983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	(E,E)-3,7,11,-Trimethyl-1,4,6,10-tetraen-3-ol
Peak:m/z	Relative Intensity
53.03930	1.5
55.05504	7.7
57.07062	2.7
67.05500	6.5
69.07059	8.7
70.82114	2.3
70.82487	2.8
71.04982	19.4
72.35480	1.2
72.56304	1.2
79.05483	15.2
81.07046	73.8
83.04970	1.7
83.08594	3.8
91.05464	7.5
93.07036	32.0
95.04972	1.5
95.08592	29.4
96.19830	1.3
97.06493	3.2
97.10123	1.3
99.08076	3.5
105.07013	20.9
107.08582	54.1
109.06493	1.8
109.10141	23.4
111.08056	2.3
111.11709	2.4
113.09622	1.6
119.08566	39.9
121.08649	1.2
121.10140	8.5
123.08073	1.3
123.11695	18.2
125.09604	1.4
126.54151	1.3
127.11212	8.5
133.10107	24.3
135.11676	100.0
136.12016	1.1
137.13225	2.5
139.11108	1.4
147.11661	17.8
149.13229	4.8
151.11133	3.1
161.13235	10.0
163.14812	2.8
165.12796	1.5
175.14781	1.7
203.17944	36.9
221.18987	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	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05503	8.9
57.03415	2.8
57.07065	1.4
57.69753	1.1
67.05492	12.6
69.07063	9.2
71.04974	2.6
71.08595	2.6
71.42081	2.2
76.54742	1.1
79.05472	9.0
81.07042	52.6
83.08600	4.8
91.05475	10.7
93.07027	25.4
95.08591	46.7
97.06501	2.8
97.10146	4.9
105.07011	30.9
107.08578	42.3
109.06480	1.7
109.10139	32.9
111.08060	2.1
111.11687	2.4
117.06993	1.4
119.08563	29.8
121.10133	18.9
121.67336	1.1
123.11678	10.6
125.09631	2.0
131.08543	1.3
133.10107	22.6
135.11664	17.0
143.69958	1.1
145.10085	1.3
147.11659	39.5
149.13246	3.8
151.11131	3.6
161.13214	13.4
163.14806	32.8
163.15849	0.8
165.12726	2.8
165.24229	1.1
175.14803	8.8
177.16342	3.3
189.35832	1.2
189.72081	1.1
199.73451	1.3
203.17926	100.0
204.18265	1.5
208.81870	1.2
221.18980	36.3
222.19019	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58650	0.9
53.03933	2.1
55.05499	8.4
57.03411	1.2
57.07051	3.6
59.04969	1.0
67.05504	8.2
69.03405	2.7
69.07058	8.7
70.96268	1.0
71.04980	17.1
71.62572	0.8
71.62969	1.8
79.05479	16.7
81.03445	0.9
81.07044	57.5
83.04953	3.1
83.08630	4.7
85.06519	1.9
87.08100	1.7
91.05463	9.7
93.07027	29.8
95.04974	6.8
95.08590	25.9
97.06495	2.3
97.10120	1.1
97.83048	0.8
99.08073	4.7
99.41308	1.1
103.05434	1.7
105.07016	24.1
105.67858	1.1
107.04913	2.4
107.08577	54.9
109.06484	3.8
109.10142	22.3
111.08060	3.7
113.09624	1.6
117.06995	2.3
119.04886	1.3
119.08563	30.4
121.02779	1.5
121.06480	2.2
121.10133	8.4
123.08063	4.0
123.11694	12.8
125.09588	1.4
127.07477	1.0
127.11166	5.1
129.06976	1.4
131.04904	2.6
131.08591	1.7
133.06482	2.9
133.10112	21.3
135.04449	1.2
135.08060	2.0
135.11670	100.0
137.05940	2.8
137.09610	4.9
137.13231	3.8
139.11229	1.2
143.08521	1.2
145.10085	1.9
147.04356	2.5
147.08014	2.1
147.11674	16.6
149.02313	16.5
149.05995	1.8
149.13260	5.0
151.11127	2.6
152.25020	0.9
153.37010	1.0
157.10152	1.3
159.11687	1.2
160.05264	1.4
161.05960	3.2
161.09624	2.5
161.13242	11.4
162.06711	3.4
163.03900	4.1
163.11143	3.0
163.14786	2.9
165.09079	1.5
165.12764	1.8
175.03925	1.4
175.07462	2.9
175.14803	3.8
177.09087	10.1
177.16306	2.6
178.06236	2.5
179.10681	1.7
179.14204	0.9
189.05420	1.9
190.06262	7.1
191.03355	2.0
193.08565	5.8
203.10670	3.0
203.14313	2.8
203.17918	32.1
206.05751	4.3
206.16234	1.9
219.22156	0.9
221.04445	1.1
221.05959	0.9
221.08061	18.3
221.11743	5.8
221.15451	9.9
221.18976	32.0
222.11295	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1895
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03925	1.6
54.04960	1.6
55.05500	7.2
57.07062	2.0
63.33033	1.2
67.05487	4.8
69.07049	9.2
70.49342	1.9
70.49725	3.3
71.04987	18.4
79.05486	16.7
81.07044	76.8
83.08603	3.2
91.05480	6.2
92.25180	1.3
93.07026	31.9
95.08584	19.5
99.08083	4.1
105.07014	20.5
107.08576	54.8
109.10141	20.1
119.08557	35.4
121.10125	5.3
123.11694	15.0
123.30735	1.3
127.11183	7.6
133.10117	19.8
135.11668	100.0
136.12029	1.5
137.13223	1.5
147.11667	12.8
149.02330	8.2
149.13260	4.4
151.11246	2.2
161.13190	8.4
163.14754	2.5
163.48351	1.3
175.14792	1.7
177.16435	2.0
203.17908	31.9
221.15431	1.7
221.18968	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	221.1896
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03934	1.3
53.90192	0.9
55.05504	6.4
57.07061	1.4
57.80791	0.9
67.05492	5.7
69.07053	5.9
69.69426	3.5
69.69852	3.1
71.04980	15.6
79.05478	16.0
81.07041	70.5
83.04934	1.1
83.08595	3.1
86.46799	0.8
91.05468	7.3
93.07027	28.6
95.04929	1.3
95.08586	16.1
97.06547	1.3
99.08065	4.0
105.07014	16.6
107.08574	49.5
108.08953	1.2
109.06518	2.3
109.10139	16.4
111.08084	1.0
119.08556	28.8
121.10139	4.4
123.11694	14.6
127.11167	8.1
133.10107	21.2
135.11665	100.0
137.13219	2.0
143.76935	0.9
145.10110	1.9
147.11655	16.8
149.13205	4.3
151.11105	0.9
160.12610	1.1
161.13234	9.0
163.14786	2.4
165.12749	1.5
178.26593	0.8
203.17917	24.8
205.81334	0.9
221.18974	20.8
243.69612	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00299	1.5
53.03936	2.7
55.05503	7.3
57.07060	3.4
66.08624	1.2
67.05493	8.8
69.03420	2.4
69.07060	11.0
71.04984	26.4
71.62040	1.9
79.05484	17.1
81.07047	100.0
83.08615	2.9
85.06525	1.8
91.05473	14.1
93.07035	37.2
95.01327	1.3
95.04963	6.0
95.08593	24.8
97.06522	3.5
97.10163	2.6
99.08080	4.2
102.67567	1.2
103.05367	1.8
105.03362	1.5
105.07023	44.2
107.08582	45.0
109.06506	5.0
109.10142	25.0
111.08079	2.4
111.11681	1.3
113.09622	2.7
115.05436	2.0
117.07007	5.4
119.04955	1.4
119.08570	71.6
121.06496	4.8
121.10138	10.1
123.04510	1.4
123.08081	4.0
123.11683	10.4
125.09617	1.6
127.11169	11.8
129.07011	2.1
131.04909	1.7
131.08574	2.2
133.06487	3.6
133.10118	20.5
135.08115	3.0
135.11674	68.9
137.05960	5.5
137.09604	2.6
139.07481	1.3
143.08542	2.7
145.06551	1.3
145.10123	4.2
147.04375	2.1
147.08067	1.4
147.11668	20.1
149.02257	2.0
149.13225	10.1
151.03853	2.1
151.11179	1.7
157.10101	2.4
159.11674	3.3
161.05951	5.3
161.09610	3.9
161.13225	10.1
162.05511	1.4
162.06767	1.6
163.03918	1.9
163.11113	2.0
163.14859	3.1
165.05453	3.3
165.09151	1.4
166.80235	1.1
175.07538	3.8
175.11169	3.1
175.14828	4.5
177.09100	18.2
177.16438	1.3
179.10646	3.0
189.05579	1.4
193.08620	2.5
193.12151	1.9
201.07895	2.1
203.06943	1.7
203.10670	3.7
203.14215	2.9
203.17929	36.4
203.19724	2.4
206.16229	1.5
221.04482	5.1
221.07880	6.0
221.11626	13.3
221.15608	9.2
221.19006	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1897
Annotation	Helianthol A
Peak:m/z	Relative Intensity
54.58526	1.4
55.05511	10.2
55.93374	1.7
57.07061	3.1
67.05508	10.1
69.07061	11.3
71.04984	24.4
71.32500	2.7
72.96397	1.7
76.97537	1.6
79.05486	15.2
81.07047	91.8
83.08625	4.9
85.06486	3.3
91.05475	10.2
93.07033	45.6
95.04905	2.3
95.08594	32.9
97.06520	4.2
99.08048	6.1
105.07012	37.4
107.08579	56.0
109.06466	2.2
109.09439	3.0
109.10136	30.7
111.11688	2.6
113.09610	3.4
119.08566	67.9
121.10135	11.4
122.05362	1.9
123.11696	18.2
127.11192	13.5
128.46829	1.6
131.08540	1.7
133.10127	22.7
135.11676	100.0
136.12044	2.2
137.13184	4.0
145.10216	1.9
147.04344	1.6
147.11674	31.3
149.02409	1.9
149.13217	11.7
161.13206	12.1
163.03821	2.5
163.14818	5.9
175.14774	6.7
193.08531	2.0
203.17926	48.9
204.18169	1.9
221.08038	4.2
221.15498	3.3
221.18968	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	221.1534
Annotation	Oblongolide
Peak:m/z	Relative Intensity
55.01857	3.9
55.05502	5.8
57.03410	1.3
57.07059	2.4
65.03901	1.3
67.05496	14.6
69.03413	4.3
69.07063	10.5
71.04984	4.2
71.62370	1.3
79.05476	7.5
81.07048	24.3
82.49671	1.1
83.01331	14.3
83.04977	12.2
83.08599	2.0
85.02876	1.3
85.06540	1.9
91.05461	11.3
92.47906	1.0
93.07030	16.9
95.04958	49.5
95.08590	18.5
97.06523	5.0
97.10163	1.4
99.04465	1.4
103.05441	2.5
105.07022	21.2
107.04933	2.5
107.08582	22.2
109.06487	12.3
109.10139	19.7
111.04350	1.2
111.08054	4.8
115.05427	2.4
117.07011	3.8
119.04939	2.5
119.08566	27.4
121.06506	4.7
121.10135	27.4
123.04453	1.9
123.08057	27.1
123.11694	4.1
125.09609	1.3
127.11211	2.6
128.06201	1.4
130.04166	1.2
130.83904	1.0
131.04929	3.1
132.05655	1.1
133.06467	8.3
133.10123	12.7
135.04413	1.5
135.08061	3.3
135.11671	16.1
137.05948	2.3
137.09599	20.9
139.11163	15.9
143.08556	2.3
145.06480	1.6
145.10120	3.3
147.04430	5.4
147.08051	7.6
147.11658	10.1
149.02345	3.2
149.05939	2.0
149.09586	1.4
149.13225	3.1
151.07558	2.3
151.11185	2.6
157.10098	1.9
159.11694	2.8
160.05168	2.7
161.05965	8.4
161.09610	4.9
161.13232	8.8
162.06770	5.3
163.03879	4.6
163.07501	1.6
163.09755	1.6
163.11174	16.1
163.14832	1.4
165.09097	84.8
166.09506	2.0
170.10870	1.1
175.03918	4.0
175.07553	3.6
175.11250	1.9
175.14870	4.9
175.95863	1.0
176.04543	1.0
177.05705	2.0
177.09096	47.3
177.12778	2.6
177.14694	3.7
177.16165	1.8
178.06253	4.1
178.07765	1.1
178.09450	2.3
185.13235	2.3
189.05563	2.0
190.06236	9.1
191.03401	4.1
191.06955	1.5
193.08580	9.0
193.15923	1.6
203.03499	1.5
203.10718	2.4
203.14288	9.9
203.17923	9.6
206.05753	4.3
206.16191	2.0
221.06070	1.6
221.08060	22.8
221.11757	4.3
221.15366	100.0
221.17320	21.3
221.19014	8.9
222.11287	1.5
222.15746	2.2
240.04153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1532
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.29285	0.8
52.72004	0.8
52.87460	0.8
53.03943	1.1
55.01860	2.8
55.05499	5.3
57.03431	0.9
57.07051	1.8
57.93020	0.8
64.40517	0.8
65.03934	1.2
67.05489	13.0
67.57867	0.8
67.72865	0.8
69.03404	3.7
69.07057	6.9
69.74619	4.1
69.75028	1.3
71.04971	4.3
79.05477	6.8
81.07040	17.1
83.01328	14.3
83.04974	12.3
85.06528	1.8
88.29919	0.8
91.05447	8.2
93.07030	16.0
95.04951	51.6
95.08587	18.1
95.09120	0.6
97.06515	5.5
97.10137	1.4
99.04420	1.1
99.08104	1.0
103.03865	0.8
103.05459	1.1
105.07014	15.7
106.06554	0.8
107.04929	2.3
107.08578	18.0
109.06503	12.6
109.10130	18.4
111.08062	4.9
115.05447	1.5
117.07001	3.6
119.04905	2.6
119.08560	25.9
120.02127	0.9
121.06497	4.8
121.10124	25.7
122.10359	0.8
123.08047	26.9
123.11710	3.0
125.09574	2.3
127.11158	1.1
129.06955	1.7
131.04880	2.6
131.08557	2.3
132.05621	1.1
133.06479	6.6
133.10091	10.6
134.10397	0.8
135.04411	2.3
135.08011	3.3
135.11678	13.0
137.05875	1.5
137.09592	22.6
138.10376	1.5
139.11140	13.7
143.08516	1.6
145.10062	4.8
147.04382	4.6
147.08031	5.1
147.11670	8.0
149.05968	1.2
149.09615	1.5
149.13228	1.9
151.03870	1.3
151.07491	2.0
151.11124	2.5
159.08055	1.0
159.11644	1.5
160.05110	1.3
161.05908	4.2
161.09608	4.4
161.13243	7.6
162.06792	3.8
163.03847	4.1
163.07500	1.5
163.09747	1.6
163.11145	13.1
163.14790	1.2
165.09082	85.1
166.09447	1.1
175.03860	3.4
175.07547	2.6
175.11159	2.3
175.14835	4.7
177.05450	1.2
177.09059	18.8
177.12764	2.0
177.14580	5.1
178.06204	1.7
179.10619	1.7
185.13272	1.7
188.04576	1.6
189.05457	1.4
190.06212	7.7
191.03358	3.5
191.14281	1.2
193.08536	5.6
193.15823	2.3
203.03380	2.2
203.07043	1.6
203.10759	1.5
203.14244	7.8
203.17926	4.3
206.05757	4.2
206.16267	0.9
215.35167	0.8
221.04485	1.1
221.08023	19.0
221.15331	100.0
221.17284	16.2
221.18965	5.2
222.08316	1.5
222.15585	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	221.0918
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
51.47917	0.7
53.03938	0.8
55.01857	2.0
55.05502	4.6
56.96558	5.6
57.03414	2.1
57.07071	4.3
59.04975	0.9
61.02905	1.5
65.03922	1.0
67.05481	3.4
69.03413	4.7
69.07037	2.4
69.31195	9.0
70.06554	1.7
72.04468	0.8
72.08128	0.8
73.02890	3.0
73.04751	0.8
73.06525	1.7
74.02420	1.7
77.00899	1.1
79.05464	1.6
81.03397	2.3
81.07033	3.9
82.02897	1.9
83.04961	1.1
83.08591	1.0
84.08110	2.0
85.02908	5.0
85.06492	1.1
87.04427	0.8
88.03964	1.0
90.05548	4.9
91.05433	2.2
91.05879	2.5
93.07025	2.2
94.06552	4.5
95.01300	1.1
95.04954	2.3
95.08587	1.7
97.02875	6.4
98.03093	0.7
98.97578	6.3
99.04475	1.3
100.02470	1.7
101.00819	2.4
103.05466	0.8
104.59559	0.8
105.07021	1.7
107.04937	2.1
107.08561	2.2
109.02850	2.5
109.06493	2.2
109.10150	2.8
110.97571	0.7
111.08054	3.4
116.98595	3.1
118.03446	0.8
119.01895	15.0
119.04920	2.1
119.08549	1.8
121.01592	1.4
121.02862	6.6
121.06482	2.2
121.10115	1.3
123.08089	0.7
127.03925	1.6
128.98564	2.4
130.06503	81.9
130.08521	1.6
131.01888	4.1
131.04826	1.2
131.08560	0.8
132.01997	1.2
132.04430	44.2
133.03444	1.1
133.10072	1.5
134.99660	2.0
135.08043	1.3
135.11670	1.1
136.05211	0.9
137.02977	4.9
137.06000	4.8
137.09593	1.5
138.05344	1.0
140.04961	0.8
143.01874	2.5
143.08934	1.0
145.01625	1.1
145.03450	1.9
145.04906	0.8
146.06055	0.9
146.99619	1.8
147.03201	1.5
147.04385	2.1
147.05743	1.5
147.09154	1.3
148.07475	3.7
149.06067	1.4
151.07512	1.7
152.13268	0.7
152.80904	0.8
153.09056	1.3
154.03516	1.3
155.01915	1.7
155.04654	2.1
155.54800	6.9
156.04880	1.4
156.97446	11.1
157.03395	1.6
157.07587	58.0
158.05986	78.7
158.99611	1.5
159.06316	1.8
160.95369	1.0
161.01529	1.1
161.02940	6.6
161.05930	2.1
161.09567	0.9
162.03026	0.9
163.02678	1.4
164.05211	1.8
164.55354	2.9
165.05496	1.1
165.09135	1.6
173.02914	2.4
173.06575	0.7
174.98514	20.7
175.00801	1.2
175.02652	1.6
175.08647	100.0
176.07013	2.7
176.09009	1.6
177.00693	1.8
177.09023	1.1
178.03772	1.1
179.03952	7.5
179.99005	2.3
184.04439	1.0
185.03021	1.6
185.04596	1.9
185.07022	2.4
185.09959	1.4
186.05479	3.0
193.15881	2.5
194.05724	0.8
198.00134	2.7
198.02516	3.2
198.04199	1.1
198.06660	1.1
198.98462	4.9
199.04704	0.9
200.05125	1.3
203.08133	40.2
203.11121	2.1
204.06540	5.2
204.08324	1.2
206.16223	1.1
216.99577	12.4
220.56178	1.3
221.04916	4.6
221.09227	22.7
221.12480	6.6
221.15242	1.8
221.18820	1.4
222.05701	0.9
222.07747	0.8
231.07135	1.1
239.04099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79853	8.1
71.52524	19.5
88.29142	9.3
149.43060	9.6
175.60364	9.0
177.89026	9.6
221.04250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	1.9
61.61791	1.2
62.58059	1.0
67.05485	1.4
69.07045	1.7
70.89564	2.0
70.89889	1.5
81.07011	1.1
82.99791	1.4
95.08602	1.3
100.02441	2.1
100.50280	0.9
101.00854	14.4
104.80213	1.1
113.03375	1.0
118.03522	1.8
119.01899	100.0
120.01956	3.7
121.01601	1.4
121.06482	1.3
127.00885	2.4
128.16644	1.0
131.01950	1.2
137.02927	45.2
139.00880	4.9
139.50847	2.1
142.03485	2.3
143.01875	1.3
148.01392	10.3
148.51422	2.9
150.51668	7.3
151.01770	2.1
157.03490	1.1
159.52185	6.9
160.02209	3.7
161.02930	33.2
161.24548	1.0
163.02673	1.3
168.51938	1.2
173.04813	1.3
175.02647	1.8
175.04330	1.1
177.00896	2.5
179.00664	3.6
179.03978	76.0
180.04097	1.5
184.04449	1.3
186.50865	2.7
195.51393	13.7
196.01530	5.7
198.02441	1.3
198.04286	1.7
198.06128	1.5
202.05583	2.9
203.00717	1.6
203.04077	1.3
221.01712	20.1
221.05005	3.6
221.06921	3.9
221.15308	2.0
232.44521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0916
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.05487	0.8
57.07038	1.0
60.29499	0.4
67.05475	0.9
69.07018	0.4
70.06570	0.6
70.39536	1.5
74.58736	0.3
77.74207	0.3
79.05469	0.5
81.07016	1.1
82.02905	1.6
83.08592	0.6
91.05408	0.7
93.07008	0.7
94.06544	3.2
95.01305	1.0
95.04944	0.7
95.08578	1.0
97.02858	0.4
99.38736	0.4
104.04976	0.4
105.06994	1.2
107.08546	0.6
109.06510	0.6
109.10114	1.2
109.87026	0.4
111.08048	0.9
115.05425	0.7
116.07066	0.5
116.98572	0.5
119.04893	0.5
119.08576	0.9
120.08060	0.4
121.02814	0.6
121.06456	0.7
121.10135	0.7
128.06216	0.5
129.07005	1.8
130.06503	40.1
131.04921	0.5
131.06801	0.5
132.04427	27.3
133.06453	0.5
133.10066	0.7
135.08026	0.5
137.05916	0.5
137.09610	0.6
146.05916	0.5
147.06395	0.5
147.08020	0.9
147.09142	0.5
148.07578	0.6
149.06065	0.4
151.07539	0.4
153.09108	0.4
157.06450	1.1
157.07584	19.4
158.05986	60.1
159.06342	1.0
161.05928	0.8
165.05525	0.4
165.09073	0.8
175.08643	100.0
176.07014	1.7
176.08974	1.1
177.05428	0.4
185.05988	0.8
186.05389	1.7
193.15860	1.0
203.06935	1.6
203.08302	1.4
203.10872	0.4
204.06526	3.8
206.16260	0.4
221.09201	33.8
221.15309	1.2
221.18665	0.6
226.84673	0.4
240.00459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1741
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03941	1.0
55.05501	5.4
67.05495	5.5
69.07066	5.1
71.04981	11.1
71.29436	2.4
79.05481	15.6
81.07053	19.1
83.04996	2.5
83.08604	1.3
85.06541	1.1
91.05471	22.4
93.07028	13.3
95.04980	2.5
95.08600	7.0
95.12674	0.8
97.05965	0.9
97.06538	3.8
97.10167	1.4
99.08112	1.2
103.05438	1.2
105.07021	61.2
107.08573	12.3
108.48452	0.9
109.06506	2.2
109.10166	5.4
115.05503	1.0
117.07028	3.3
118.07795	1.1
119.08548	8.7
121.06483	1.4
121.10136	5.5
123.08029	1.8
123.11681	1.3
125.09615	16.2
127.11166	1.2
129.06967	1.0
130.07835	1.1
131.08540	12.4
133.10115	100.0
134.10486	1.9
135.08054	1.0
135.11667	1.4
139.11185	1.1
143.08569	1.2
144.09357	1.2
145.10106	12.2
147.11662	8.1
149.13219	1.6
159.11668	11.8
161.13211	5.9
163.11136	1.8
173.13258	2.3
175.14763	1.1
201.16348	12.3
219.17421	18.4
219.21440	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	220.1175
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
51.19276	0.6
52.31881	0.7
57.07066	4.7
59.04992	4.8
63.32909	0.7
66.29637	0.6
67.05493	4.6
69.07065	5.4
70.02948	5.1
70.19634	3.1
70.53667	0.6
72.04504	14.9
73.02905	3.5
74.02419	1.0
81.72828	0.7
83.04966	1.7
85.06532	10.1
86.09698	1.6
87.08090	1.7
90.05541	100.0
95.04945	5.7
96.08118	1.7
98.02402	13.6
98.03027	0.5
100.03967	3.0
100.94737	0.7
103.07552	7.9
112.07603	0.7
113.05996	2.7
116.03437	14.7
124.07574	15.4
132.10144	0.8
135.53316	0.7
142.08601	7.2
156.10159	1.4
160.09679	1.6
166.08600	2.1
174.11206	2.7
184.09663	19.6
184.11307	1.0
185.95943	0.6
199.89079	0.7
202.10709	29.3
216.87949	0.6
220.11763	45.8
220.17686	1.0
221.11974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.174
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03934	0.8
55.05498	7.1
57.07057	1.9
61.05239	0.7
62.51815	0.7
67.05501	5.6
69.07065	4.4
70.06583	2.0
70.52789	2.6
71.04984	12.0
71.06919	1.5
73.06522	0.8
78.24504	0.8
79.05479	14.7
81.07040	19.0
83.04947	2.0
83.08598	2.4
85.06535	1.2
88.07603	3.5
89.07948	1.4
91.05467	24.2
93.07033	17.1
95.04945	2.1
95.08590	8.0
97.06499	4.1
97.10155	1.2
98.20593	0.9
103.05404	1.2
105.07014	67.1
106.08640	1.8
107.08561	11.4
109.06524	1.3
109.10130	6.4
111.08061	1.1
117.07028	5.0
118.07819	1.2
119.08565	10.1
121.06525	2.0
121.10133	9.4
123.08046	1.3
123.11707	1.3
125.08739	1.3
125.09599	18.6
127.11098	0.9
128.66435	0.8
129.07001	1.0
130.07629	1.0
131.08562	13.1
133.10109	100.0
134.10443	1.7
135.11649	2.7
137.09634	1.0
139.11159	1.5
143.08517	1.7
144.09326	1.0
145.10089	13.3
147.11642	9.7
149.09586	1.0
149.13205	1.3
159.11676	12.4
161.13226	5.9
163.11177	1.6
168.50671	0.7
173.13211	2.9
175.14796	1.6
177.12773	0.8
177.16360	1.1
182.98697	0.8
191.17950	1.1
201.14561	1.1
201.16354	13.3
201.20413	2.3
219.10071	1.2
219.17404	25.6
219.21451	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1012
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05493	1.0
56.56889	0.7
57.03430	1.1
67.05485	0.8
69.07037	1.4
70.01792	0.7
70.93266	1.6
71.04962	1.0
71.14537	0.7
73.67010	0.8
79.05464	1.0
80.62365	0.7
81.07021	2.5
91.05471	6.6
93.07024	2.7
95.08581	1.4
103.05421	1.3
105.06997	3.2
107.04926	1.5
107.08607	1.4
109.10115	1.4
115.05435	5.7
116.06198	1.7
117.06991	2.6
119.08541	2.8
121.06518	0.7
121.10123	2.0
128.06194	4.5
129.06004	1.3
129.06984	26.6
130.07759	1.3
131.04906	5.5
131.08540	25.9
133.10104	2.9
135.04352	1.1
135.11627	1.8
137.05920	3.1
141.06970	23.3
143.08504	1.2
144.05698	3.9
145.06462	5.4
145.10062	2.0
146.07216	2.3
147.08055	0.7
148.05170	1.6
155.05983	1.0
157.06453	15.5
158.07262	13.0
158.87749	0.7
159.04387	2.0
159.08032	19.3
159.11633	1.9
160.05154	3.3
161.05965	0.9
161.09615	3.6
161.13185	1.1
163.07500	2.1
163.11220	1.0
169.06425	10.5
169.07603	1.0
170.07248	4.9
173.06003	3.6
173.09602	1.8
174.06737	47.6
175.07510	8.1
175.14793	1.1
177.09213	0.9
181.41202	0.9
186.06703	11.7
187.07506	2.9
188.08275	2.9
189.09077	66.2
191.07040	1.8
191.10666	6.0
201.09068	27.3
201.16313	2.6
203.14302	4.5
219.10121	100.0
219.17368	19.8
220.10416	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	219.1741
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03930	2.2
53.38734	1.1
55.05507	10.0
57.07066	1.5
60.88826	1.2
65.03937	1.7
67.05225	1.1
67.05499	14.8
69.03410	2.8
69.07063	10.1
71.04965	5.5
71.32542	1.7
73.06516	1.5
79.05478	13.9
81.07053	48.4
83.04961	4.5
85.06542	2.5
87.24946	1.3
90.95208	1.4
91.05480	9.2
93.07034	22.6
95.04949	11.3
95.08598	31.3
95.64973	1.2
97.02818	1.3
97.06519	10.6
97.10116	1.6
101.76633	1.1
103.05457	2.6
105.07023	31.8
107.04952	1.4
107.08583	28.6
109.06519	6.9
109.10154	19.0
111.08058	5.2
117.07009	7.2
119.08567	26.5
121.06448	2.0
121.10143	22.9
123.04417	2.7
123.08076	6.3
123.11709	7.5
125.09649	6.2
129.06989	2.5
130.07745	1.6
131.04926	4.3
131.08559	17.6
133.10126	19.0
135.08075	2.2
135.11694	11.5
137.09665	1.4
139.11165	1.5
143.08519	3.0
144.09256	1.4
145.10115	34.4
147.11676	8.8
149.05963	4.0
149.09615	2.6
149.13240	6.9
151.03873	2.1
151.11104	1.6
158.10867	1.5
159.08087	1.5
159.11676	29.3
160.05228	1.2
161.05971	1.8
161.09695	1.8
161.13240	26.3
163.11162	7.0
163.14876	1.6
173.13266	9.6
175.07552	3.4
175.14865	7.6
177.12781	1.7
177.16377	2.0
189.09050	3.0
189.57399	1.5
191.10602	3.2
191.17873	4.7
201.09033	3.0
201.16359	41.3
201.18233	2.1
202.16570	1.3
203.14317	4.8
207.05046	1.3
219.10153	9.1
219.17419	100.0
220.17825	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01854	1.4
55.05500	10.7
56.96545	1.7
57.03424	1.6
58.99849	1.3
59.04979	1.6
61.02903	1.6
67.05474	1.3
68.02145	0.4
69.03413	2.7
69.07032	1.1
69.53095	0.4
70.06557	1.2
71.01356	0.6
71.04959	0.8
71.61924	0.6
72.08136	1.4
73.02900	2.3
73.06544	1.2
77.00887	0.9
77.01569	0.7
79.05460	0.7
81.03386	1.2
81.07030	1.1
82.99383	0.5
82.99855	1.4
83.01495	0.4
83.04969	20.8
84.08124	1.2
85.01377	1.9
85.02895	3.4
85.06537	2.1
86.06053	0.8
86.09680	0.8
87.04448	1.9
89.02383	1.3
89.06023	6.1
94.06506	0.4
95.04968	0.5
97.02859	4.2
98.97571	1.4
99.04437	1.8
100.02467	0.7
101.00861	15.7
101.02563	0.4
101.06006	9.8
102.02370	0.4
103.02431	13.8
104.02524	0.4
107.04945	0.8
109.02902	0.7
110.99207	0.5
111.04425	31.3
113.00854	1.0
113.06004	3.0
115.02331	0.9
116.98597	1.3
118.01174	0.5
118.03532	1.0
119.01904	100.0
120.01965	3.1
121.01631	2.3
121.03463	10.1
122.03561	0.6
126.04053	0.5
127.02384	2.9
127.03893	1.7
127.07548	3.7
128.04051	0.5
128.95103	0.5
128.98590	0.4
129.00310	0.6
129.03984	0.5
129.05466	8.5
130.08559	0.7
131.01889	10.9
131.03413	0.5
132.01965	0.5
133.03450	6.0
134.99629	1.0
135.05029	0.7
136.06166	1.4
137.02940	33.9
137.05951	1.1
138.03088	0.8
139.01636	0.5
142.03523	2.1
143.01900	1.6
143.03687	0.5
145.03438	73.0
146.03529	1.7
146.08127	1.0
146.99622	0.5
147.01370	6.1
147.04922	0.8
147.06526	0.5
149.02940	4.7
151.04503	1.2
153.00330	0.6
155.01804	0.9
155.07007	39.0
156.97388	2.7
157.03421	2.4
159.04991	0.8
160.04633	0.9
161.02963	3.5
163.04503	46.7
164.04648	1.7
165.02412	0.5
168.05042	2.6
169.03455	0.5
171.01379	9.8
171.02931	1.1
171.05019	1.2
173.02962	7.1
173.08072	33.7
174.98521	4.0
175.00815	3.3
175.04492	3.2
175.06226	1.4
177.00748	0.5
177.06082	0.5
179.03938	0.8
183.05000	0.7
184.53423	0.9
185.02950	0.9
185.05432	0.6
186.06169	1.0
187.04553	0.6
189.02415	35.1
189.06020	1.3
190.02644	0.7
191.03996	6.4
193.00168	1.8
193.01949	3.7
194.02925	4.3
197.03035	0.5
198.98526	1.5
199.00899	2.5
199.02647	0.6
199.04454	0.7
199.09561	4.1
203.04019	1.7
205.05560	0.7
207.03471	20.5
212.03938	2.7
213.05994	0.5
214.05536	0.7
215.04057	0.7
216.99625	3.5
217.01926	12.4
217.05296	2.7
217.10716	30.3
217.15460	1.7
221.05043	1.0
223.06644	0.7
235.02942	9.4
235.10500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1846
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03933	1.2
55.01862	3.0
55.05499	11.4
57.03419	1.9
57.07058	2.2
57.17968	0.8
60.48879	0.7
65.03913	1.0
67.05494	5.7
69.03415	2.9
69.07059	17.8
69.78410	5.1
70.06582	5.6
71.04996	5.4
79.05484	6.4
81.07047	18.2
83.04948	1.4
83.08609	10.3
85.06528	8.4
91.05464	11.3
92.75859	0.8
93.07030	17.4
94.06546	2.4
95.04958	2.8
95.06860	1.5
95.08596	38.2
97.06519	1.7
97.10153	7.4
98.21503	1.0
99.08079	30.9
105.07001	3.5
107.04937	2.3
107.08583	36.0
109.06487	2.1
109.10139	9.9
111.04482	0.9
111.08067	15.9
113.09653	3.7
115.11182	0.9
116.07041	1.1
118.18219	0.7
119.04919	9.9
119.06041	3.0
119.08594	1.2
120.06379	3.0
121.02857	2.8
121.06538	0.8
121.10127	62.3
123.08025	1.3
123.11679	2.4
125.09611	8.3
127.03866	1.1
131.08527	1.3
133.10141	1.2
135.08017	1.4
135.11679	12.3
137.05949	1.8
137.09627	1.2
137.13239	9.6
139.11171	2.5
143.08464	1.0
149.09572	1.4
149.13216	5.7
154.06125	1.1
155.10789	0.7
157.06422	0.9
157.10088	1.2
163.07544	0.9
167.07059	2.4
167.08463	1.0
169.08496	0.9
177.09166	1.3
177.16359	100.0
178.16675	1.4
185.09607	1.0
195.06519	6.0
195.08083	1.3
195.10126	2.1
195.13785	2.1
195.17430	16.7
196.09494	1.5
198.05356	0.8
201.32065	0.8
213.07205	0.9
213.09163	4.1
213.12241	11.1
213.16443	1.5
213.18451	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	213.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01853	2.7
55.05496	8.6
57.07063	2.5
67.05499	3.5
69.03401	2.2
69.06673	0.9
69.07051	16.9
69.77329	3.8
71.04967	4.5
79.05484	5.1
81.07038	16.6
83.08597	8.3
85.06522	5.0
91.05454	3.3
93.07022	13.7
95.04971	1.1
95.08588	32.6
97.06480	1.4
97.10147	9.1
99.08076	28.3
105.07001	2.6
107.04922	1.6
107.08572	34.7
109.06452	0.9
109.10151	7.6
111.08060	16.6
113.09622	3.8
119.08545	2.0
121.10119	58.8
123.08052	0.8
123.11689	1.9
125.09606	7.4
135.11662	11.5
137.13239	7.5
139.11137	3.3
147.11604	0.7
149.13220	5.6
163.07654	0.8
167.07036	2.5
172.86414	0.7
177.16356	100.0
178.16710	1.0
195.06509	2.1
195.13750	2.2
195.17400	15.8
195.68927	0.8
211.14780	0.8
213.09094	1.1
213.16432	1.3
213.18437	15.5
214.31335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1845
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.24361	0.7
55.01847	2.3
55.05495	9.0
57.07058	2.4
67.05478	2.0
69.03415	1.4
69.06707	1.3
69.07056	14.8
70.87733	2.1
71.04992	4.8
71.05296	0.8
73.88768	0.8
79.05473	4.2
81.07048	17.0
83.08617	9.0
85.06522	4.1
85.86893	0.8
88.70254	0.7
90.11191	0.8
91.05457	1.7
93.07027	10.9
95.08591	33.3
97.10155	7.6
99.08076	29.1
105.06997	2.1
107.08581	34.3
109.10131	9.1
111.08067	13.0
111.11597	0.9
113.09612	3.4
121.10124	56.0
122.10412	1.1
123.11694	1.7
125.09586	5.7
135.11678	13.1
137.13223	9.1
139.11111	1.4
149.13277	4.0
151.14819	0.8
153.72380	0.8
177.16364	100.0
178.16679	1.1
195.17416	15.2
213.18459	12.9
230.15506	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.96540	0.7
61.19240	0.5
70.06583	0.6
70.68010	1.7
70.77557	0.4
70.95859	0.7
71.04980	0.7
71.08621	0.5
72.93771	5.6
74.23931	0.4
74.26015	0.5
79.05479	0.7
81.07034	0.9
82.06562	0.5
84.08128	0.5
88.07645	0.8
90.90368	45.2
90.94813	4.6
93.07005	0.8
95.04958	0.9
96.99580	0.6
98.98491	0.4
107.08586	0.5
108.91395	3.0
108.95853	1.1
111.09177	0.8
113.10735	1.3
113.96383	1.9
116.97187	0.5
122.07063	0.5
126.92391	0.9
129.99573	0.6
131.92963	23.1
131.97412	3.7
132.95805	2.3
149.94028	100.0
149.96051	3.6
149.98471	2.1
150.96857	5.5
154.99011	0.9
155.97392	1.3
164.03572	0.6
167.95085	16.8
167.97099	4.5
172.95633	26.5
172.97624	1.9
173.00093	0.7
173.95981	1.0
173.98463	3.0
177.16357	1.2
181.73521	0.7
190.96671	2.4
190.98683	1.6
191.97124	1.5
191.99452	2.8
209.98203	1.0
213.19016	1.0
213.98314	1.2
214.10686	0.8
214.16119	0.5
214.21677	0.6
214.98874	0.6
215.01219	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03928	1.6
55.01855	3.0
55.05500	33.2
55.74493	1.0
57.03426	2.6
57.07067	7.5
57.07915	1.0
59.04985	5.4
67.05167	1.7
67.05497	21.1
68.91644	0.9
69.03400	3.0
69.07058	80.3
69.95194	6.5
71.04984	19.5
71.08599	2.4
72.19491	1.2
73.06535	1.3
79.05472	8.6
81.07047	50.7
83.04965	8.2
83.08607	17.4
85.06527	33.5
85.10169	1.4
91.05447	4.6
93.07026	28.2
95.08593	77.2
97.06514	8.4
97.10164	20.4
98.21413	1.3
99.08073	26.9
105.06989	3.1
107.08577	47.2
109.10142	45.3
111.08063	6.2
111.11707	11.7
113.09628	12.1
115.07575	1.0
119.08547	2.5
121.10126	66.4
123.11695	14.2
125.09616	8.5
125.13275	2.3
127.03811	1.2
127.11127	2.5
135.11676	35.7
137.12177	1.7
137.13226	32.0
139.11166	14.4
142.07716	1.4
143.08571	1.4
149.13245	8.5
151.14767	5.2
152.06236	1.8
153.12717	11.2
157.06444	1.5
157.10118	2.2
167.06981	1.5
167.08514	2.4
170.07275	1.4
171.11661	1.4
177.16359	100.0
178.16660	2.2
185.09520	1.6
195.06493	3.0
195.08052	2.8
195.09982	1.7
195.13635	1.6
195.17435	27.8
213.05420	2.4
213.09076	6.6
213.12601	3.5
213.16328	3.3
213.18414	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	213.1481
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03931	3.7
55.01851	4.6
55.05505	18.4
55.74143	1.2
57.03431	15.9
57.07060	5.5
65.03951	1.6
67.05493	72.6
69.03421	1.5
69.07057	25.5
69.54911	10.0
71.04975	7.0
71.08597	1.5
73.02889	1.4
74.30068	1.4
79.05483	35.2
81.03415	1.9
81.07046	100.0
83.04970	13.5
83.08604	17.7
85.02869	1.7
85.06521	7.3
88.07627	12.4
91.05465	23.8
93.07029	62.7
95.04949	7.7
95.08588	28.8
95.74921	1.5
97.06511	14.4
97.10138	4.0
99.08075	8.5
105.07034	8.7
105.39120	1.3
107.04943	2.5
107.08578	35.1
109.06525	3.3
109.10133	6.1
110.07156	1.7
111.08050	10.9
117.07003	10.2
119.08560	5.6
121.06490	1.6
121.10123	25.7
125.09612	4.0
127.07529	1.5
129.06993	4.7
131.08545	15.6
132.96570	1.4
133.10112	5.6
135.07993	2.3
135.11679	13.4
141.06921	1.5
142.07774	3.5
143.08566	10.4
143.62476	1.4
145.10077	3.1
147.11714	1.8
149.09592	2.1
149.13235	60.8
150.13501	1.9
151.03918	2.8
152.04610	1.4
156.09346	2.7
157.10110	13.6
159.11673	19.8
167.07037	1.6
169.10176	1.9
170.03590	5.2
170.10889	1.5
171.11633	8.4
177.09152	1.5
177.12750	10.6
177.16399	9.6
185.13188	2.9
190.85040	1.4
195.04745	1.5
195.06509	30.0
195.10139	1.5
195.11885	2.0
195.13799	10.0
195.17451	3.3
196.06789	1.8
198.05200	2.1
213.05397	22.2
213.07138	2.1
213.09348	1.5
213.12732	8.4
213.16351	28.7
213.18402	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1116
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.02386	0.4
53.03948	1.1
53.23236	0.3
55.01870	1.0
55.05491	1.4
57.03437	0.5
63.00026	0.4
65.03930	0.5
67.05492	1.9
69.03429	1.8
69.07046	1.5
70.06585	0.5
71.04968	1.6
71.62068	0.4
71.62453	0.3
72.08143	0.3
74.12340	0.3
78.04682	2.0
79.05480	7.5
81.03402	1.3
81.07030	3.3
83.04974	0.9
83.08620	0.5
85.02889	0.5
85.06525	1.5
87.03337	0.3
88.07605	0.5
91.05465	6.9
91.06001	0.5
93.07033	3.5
94.04144	0.4
95.04948	3.5
95.08576	2.4
97.02879	0.4
97.06516	0.7
99.04450	0.8
99.08074	0.5
103.05447	7.6
105.03362	0.5
105.04490	0.5
105.07014	5.4
106.04146	1.6
107.04935	49.0
107.08571	4.7
108.05268	0.3
109.02849	0.5
109.06489	1.2
109.10138	2.4
111.04418	0.7
111.08065	1.0
115.05428	3.0
117.06997	1.7
119.04935	2.8
119.08570	0.9
120.05742	2.2
121.06499	1.5
121.10121	3.9
122.03658	0.6
123.04407	4.6
123.08044	0.8
124.05186	3.2
125.05958	1.4
125.09603	0.9
127.03896	0.4
131.04907	2.0
131.08514	0.8
133.06458	0.9
133.10115	0.4
134.07222	0.5
135.04413	0.5
135.08028	13.9
135.11636	1.1
137.05951	1.5
137.09621	0.6
139.03854	0.7
139.05444	0.3
139.07506	0.7
140.04604	0.5
145.07536	1.2
147.04346	1.2
148.05128	0.5
149.05949	1.0
149.09624	2.0
149.13214	0.5
151.03902	1.8
151.07538	0.4
151.11052	0.4
152.04654	2.1
153.05489	0.4
153.08937	0.3
153.12675	0.8
154.06226	2.1
155.02042	0.3
157.06427	0.5
161.06013	0.4
163.07513	28.9
164.07817	0.6
165.05406	0.6
167.07007	100.0
168.07346	1.3
169.04900	0.3
177.09062	1.9
177.12634	0.8
177.16365	1.0
178.69354	0.3
180.07787	2.8
181.08493	0.4
185.07094	0.4
195.06493	3.3
195.10133	20.5
195.13705	1.5
195.17352	1.3
196.10385	0.3
213.05403	0.7
213.09076	1.2
213.11107	8.8
213.13022	0.6
213.16475	0.5
213.18410	1.1
230.38863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1481
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.71682	0.7
53.03933	0.9
55.01851	1.5
55.05255	1.2
55.05503	17.6
57.03416	2.1
57.07066	10.5
57.51394	0.7
60.25250	0.7
64.91505	0.7
65.50735	0.6
67.05491	5.0
69.03419	1.5
69.07059	5.0
70.06577	0.9
71.04975	1.3
71.62639	1.4
71.63012	0.8
79.05461	5.4
81.07039	8.4
82.11443	0.7
83.04973	8.0
83.08624	0.9
84.08117	0.8
85.06538	6.1
86.41296	0.7
88.07612	4.4
90.94785	0.9
91.05459	4.8
93.07027	13.6
95.04954	1.8
95.08598	14.1
95.33830	0.7
97.06499	7.0
97.10148	1.5
99.08066	1.4
105.07011	5.8
106.83438	0.8
107.04948	2.5
107.08578	20.2
109.06491	3.9
109.09470	0.8
109.10124	3.9
111.04425	100.0
111.08044	4.3
112.04778	1.3
113.06005	1.6
117.07015	1.8
119.08569	3.8
121.06489	2.8
121.10131	5.8
122.07261	1.7
123.04373	0.9
123.08061	1.0
125.05978	31.3
125.09589	1.6
127.07531	4.7
129.07002	1.1
130.07843	1.0
131.08530	0.8
133.10121	1.0
135.08040	15.2
135.11670	22.4
137.13271	2.4
139.07533	5.8
142.07693	0.9
143.08530	5.5
145.10106	17.7
145.11237	1.1
149.09590	1.0
149.13358	0.7
149.94055	1.4
151.03889	1.1
152.04634	0.9
153.12733	6.7
156.09377	1.1
157.10120	5.2
163.11160	27.7
167.06981	1.1
171.11646	4.0
177.16389	7.0
181.12209	67.3
182.12590	1.5
183.11647	0.9
185.13245	1.0
195.06490	13.4
195.12033	1.1
195.13739	4.9
198.05347	1.0
198.10361	0.9
213.09186	1.2
213.12680	3.0
213.14777	2.2
213.16360	13.4
213.18414	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1117
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03948	0.7
55.01878	1.1
55.05525	0.9
57.43859	0.4
67.05515	1.9
69.03444	1.3
69.07084	1.3
70.06603	0.7
71.05000	0.7
71.61225	0.7
71.61604	0.7
73.02921	0.6
78.04724	1.9
79.05480	9.0
79.05892	0.6
81.03429	0.9
81.06661	0.6
81.07038	2.8
83.04996	1.2
84.57738	0.5
85.06576	0.9
88.07664	0.7
91.05470	6.3
91.31023	0.4
93.03393	0.5
93.07024	4.2
93.32095	0.5
95.04955	4.3
95.08620	2.0
97.02910	1.4
97.06532	0.9
98.97607	0.6
99.04442	0.8
99.08093	0.4
103.05457	6.0
105.07009	6.8
106.04157	1.0
107.04934	50.0
107.08575	8.5
108.05323	0.7
109.02922	0.5
109.06522	1.6
109.10150	0.8
111.04438	1.2
111.08116	1.7
115.05434	2.7
117.07002	2.9
119.04932	3.8
119.08575	3.7
120.05717	2.2
121.02872	1.1
121.06484	1.2
121.10117	5.4
123.04419	3.6
123.08080	1.9
124.05194	3.5
125.05996	2.0
125.09631	1.3
127.03945	1.0
128.10721	0.9
129.07028	0.7
131.04884	2.0
131.08549	2.5
133.06555	1.0
133.10065	0.6
135.04422	1.1
135.08029	16.0
135.11635	0.8
137.05956	1.5
137.09624	0.8
139.03937	0.6
139.07538	0.7
140.04585	0.5
141.05435	0.6
145.06546	0.5
145.07579	1.3
145.25243	0.4
147.04425	0.6
147.07997	2.7
149.05971	0.6
149.09592	5.9
151.03894	2.0
151.11165	0.6
152.04657	2.5
152.06290	0.5
153.09094	2.0
154.06258	1.4
155.07021	0.6
156.10181	1.0
159.08029	1.2
163.07518	28.6
165.05432	0.5
165.09102	2.9
165.10277	0.5
167.07010	100.0
167.10703	1.7
168.07289	0.9
168.10170	1.0
174.76294	0.5
177.09085	9.6
177.12866	0.6
177.16393	1.2
180.07741	2.7
181.08534	0.8
195.06499	7.5
195.10127	21.5
195.13741	1.1
213.07254	0.7
213.09119	1.5
213.11143	16.4
213.15897	0.5
214.08466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01862	1.3
55.05499	1.3
55.59671	0.3
56.28697	0.3
57.03425	0.5
57.07072	0.3
64.62165	0.3
65.03929	0.7
65.61500	0.3
67.05495	1.7
69.03419	1.5
69.07057	2.1
70.06581	0.4
71.04973	1.8
71.32314	0.3
71.32659	0.6
78.04697	2.0
79.05475	8.3
81.03406	1.0
81.07047	3.5
82.36764	0.3
83.04969	1.0
83.08610	0.6
85.02929	0.3
85.06512	1.3
86.09700	0.4
88.07635	0.4
91.05460	6.2
92.06262	0.3
93.03341	0.3
93.07022	3.4
95.04954	3.0
95.08595	2.2
97.06499	0.4
98.97598	0.5
99.04447	1.0
99.08064	0.8
103.05447	7.8
105.03368	0.4
105.04495	0.5
105.07005	6.7
106.04130	1.2
107.04932	52.2
107.08577	5.2
108.05253	0.4
109.02863	0.6
109.06507	1.4
109.10136	3.0
111.04462	0.6
111.08086	1.2
115.05436	2.8
117.07015	1.3
119.04914	2.5
119.05708	0.4
119.08560	0.8
120.05704	1.8
121.06513	1.5
121.10121	4.7
122.03642	0.6
123.04399	4.8
123.08025	1.4
123.11670	0.5
124.05190	2.8
125.06021	1.5
125.09614	1.1
131.04935	2.1
131.08537	1.0
133.06465	1.0
133.10086	0.7
134.07219	0.3
135.04387	0.7
135.08025	14.7
135.11642	1.2
137.05959	1.5
137.09563	0.4
139.03848	1.0
139.07529	0.5
143.08466	0.3
145.06485	0.4
145.07602	1.0
147.04378	1.2
148.05200	0.5
149.05965	1.0
149.09566	2.4
149.13219	0.6
151.03856	1.5
152.04655	2.0
153.05403	0.4
153.09068	0.5
153.12711	0.7
154.06207	2.5
155.06961	0.3
157.06480	0.5
163.07513	29.2
164.07866	0.4
165.05435	0.8
165.09084	0.3
167.07005	100.0
168.07370	0.8
169.08633	0.6
177.09082	3.2
177.12715	0.9
177.16351	1.5
180.07774	3.0
181.08592	0.6
195.06523	3.1
195.10129	22.2
195.13698	1.7
195.17375	1.6
213.05466	1.1
213.09151	0.8
213.11156	9.7
213.14642	0.5
213.18425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.7
53.54480	2.0
54.16503	2.3
55.01852	4.6
55.05500	38.4
57.03407	7.7
57.07059	4.3
59.04993	5.3
60.09445	2.1
65.03942	2.4
67.05159	2.9
67.05495	41.2
69.03420	36.2
69.06723	2.8
69.07060	44.4
69.68840	16.5
71.03214	2.1
71.04984	22.3
72.11258	2.2
79.05469	12.8
81.03379	3.4
81.06583	2.4
81.07045	42.0
83.04974	49.9
83.08147	2.5
83.08609	30.9
85.06532	14.6
91.05461	10.8
93.07037	45.8
95.04953	100.0
95.08588	57.9
97.06530	11.2
97.10167	4.7
99.04422	4.6
99.08081	90.4
101.05996	5.8
105.06476	2.0
105.07011	20.1
107.08578	62.6
108.12463	2.2
109.06481	5.8
109.10139	79.3
111.08067	13.3
113.05972	2.2
113.09597	5.0
115.07545	3.0
117.06935	2.4
119.08564	48.5
120.08929	2.3
121.10137	34.5
123.04419	3.1
123.08049	8.4
123.11691	33.1
125.09591	25.4
127.07495	4.2
127.11135	15.9
131.08566	3.1
133.10110	81.9
134.10522	2.2
135.11671	50.7
137.05952	3.6
137.08638	4.3
137.09595	49.5
139.11180	2.3
147.11664	11.1
149.06001	3.2
149.13237	33.7
151.11108	5.5
151.14853	2.4
153.12703	8.5
155.07106	2.2
155.10645	28.7
165.12657	2.8
167.07048	21.1
167.08319	3.2
167.14282	15.3
169.12233	3.5
175.14810	48.7
178.99977	2.1
181.08533	2.9
193.12196	2.8
193.15869	41.8
211.07555	3.0
211.14931	3.4
211.16890	70.6
212.17183	2.6
214.96109	2.3
221.76077	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.49134	0.5
55.05502	10.4
57.03439	0.8
57.07061	1.5
59.04985	2.4
62.59804	0.5
65.88700	0.5
66.04707	0.5
67.05493	10.4
69.03414	2.2
69.07059	4.8
70.97634	1.5
71.04985	10.3
71.08659	0.5
73.19782	0.5
79.05468	1.6
81.07047	8.2
83.04965	2.8
83.08606	5.8
85.06541	6.5
91.05454	2.1
93.07027	7.3
95.04951	20.2
95.08593	28.2
97.06502	2.0
97.10135	1.0
99.04452	11.0
99.08077	100.0
100.08409	0.8
101.06011	5.0
105.07023	3.0
107.08575	8.6
109.06517	2.8
109.10143	38.5
111.08064	2.3
113.06001	2.1
113.09618	1.9
119.08550	7.2
121.10126	4.1
123.08067	2.4
123.11682	3.4
125.09582	2.7
127.07478	1.0
127.11176	1.6
133.10123	7.9
135.11665	11.5
135.21371	0.5
137.09595	19.4
147.11580	0.8
149.13206	2.3
151.11192	2.5
151.14809	5.8
153.12740	1.5
155.10652	20.8
164.28389	0.6
165.16374	1.4
167.07022	1.0
175.14804	10.3
180.89467	0.5
183.15750	1.0
193.15858	13.8
197.88864	0.6
211.16911	26.7
214.84970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03924	2.7
55.01855	1.5
55.05500	18.6
57.03410	5.0
57.07049	4.0
59.04973	3.1
67.05491	24.1
69.03403	5.0
69.07058	14.1
71.04980	12.0
71.05985	2.2
71.08604	2.0
79.05457	6.1
81.03393	1.9
81.06570	2.0
81.07038	30.5
83.04963	8.7
83.08607	15.1
85.06531	8.9
88.87295	1.1
91.05454	6.0
93.07028	20.7
95.04939	4.2
95.08591	57.0
97.06520	12.0
97.10137	5.0
99.04409	3.3
99.08049	3.7
105.07005	10.1
107.08573	32.0
108.19691	1.2
108.50907	1.2
109.06493	16.6
109.10136	94.8
111.08064	40.7
113.05949	2.1
113.09603	3.4
115.07524	2.7
119.08562	49.7
119.31818	1.1
121.06476	1.6
121.09302	1.9
121.10128	27.4
122.07250	2.4
123.08045	47.9
123.11683	22.2
125.09609	10.2
127.07567	1.3
127.11157	3.0
127.87608	1.3
128.00716	1.3
133.10106	40.5
135.08032	1.3
135.11668	57.4
137.05991	5.4
137.09590	100.0
137.13210	3.6
138.10373	8.9
139.11147	5.1
145.10062	1.6
147.11650	7.1
149.09517	1.8
149.13229	15.7
151.11162	6.5
151.14795	9.5
153.12752	1.8
157.10170	1.1
163.11147	3.4
165.12711	11.9
165.16382	4.8
167.07057	7.8
175.14795	67.9
176.15103	2.1
179.07220	1.1
193.12343	1.7
193.15845	41.4
194.16156	1.2
211.16890	52.2
211.23233	1.0
212.17165	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1688
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03935	1.0
55.05498	15.4
57.03425	5.8
57.07068	4.4
59.04996	0.8
67.05490	24.2
69.03400	2.5
69.06718	1.0
69.07053	18.1
69.79632	3.7
69.80048	1.7
71.04979	7.0
71.08589	1.6
77.03914	1.0
78.11562	0.8
79.05477	6.8
81.06564	1.6
81.07037	25.7
83.04966	8.6
83.08205	1.2
83.08607	10.9
85.06536	5.5
91.05444	5.1
93.07020	18.0
94.94422	0.8
95.04929	3.0
95.08587	50.9
97.06503	8.2
97.10131	4.0
98.21495	1.2
99.08067	3.1
105.07006	11.4
107.08571	29.4
109.06498	11.0
109.10133	95.7
111.08060	41.3
111.08714	0.7
111.08844	1.5
113.05951	1.6
113.09603	1.2
117.76290	0.8
119.08559	41.6
121.10121	25.5
121.10986	1.2
122.07212	1.6
123.08043	43.4
123.11672	18.7
125.09618	6.2
127.11163	3.8
127.13136	0.9
133.09090	1.6
133.10106	40.5
135.11664	51.0
137.09590	100.0
137.13205	6.5
138.10397	10.2
139.11142	5.4
145.10043	1.6
147.11662	8.6
149.13223	15.4
151.11168	5.9
151.14795	9.6
154.39781	0.8
155.10666	0.8
155.87103	0.8
163.11124	2.9
165.12723	14.6
165.16338	5.3
167.07022	2.2
167.14304	1.4
175.14793	69.7
176.15137	1.3
178.13513	1.9
193.15837	45.0
211.16887	49.9
212.09785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03927	4.4
55.01855	5.1
55.05263	2.2
55.05504	36.4
56.96563	7.4
57.03186	1.6
57.03432	19.8
57.07062	2.5
59.04981	2.2
63.62448	1.3
65.03922	1.3
65.41963	1.4
65.92792	1.5
66.04707	1.5
67.05166	2.6
67.05494	34.1
69.03422	10.0
69.07056	14.1
71.04984	8.0
71.08616	1.8
71.62665	2.8
73.02917	1.8
73.45105	1.3
79.05054	2.2
79.05482	33.7
81.03406	76.4
81.07043	47.4
83.04966	36.3
83.08604	26.8
85.02922	2.4
85.06524	5.5
91.04952	2.4
91.05471	31.6
93.07026	24.5
93.62036	1.2
95.04951	35.9
95.08585	25.2
97.02898	3.5
97.06512	9.9
97.10157	6.2
97.99155	1.7
99.01809	1.4
99.04431	5.5
99.08092	7.5
101.06001	2.7
105.07014	29.1
105.26205	1.3
107.04935	3.6
107.08575	14.8
109.06505	10.4
109.10134	16.7
111.04424	4.3
111.08059	14.9
113.05978	3.2
115.05460	2.1
115.12977	1.4
116.00188	2.8
117.06982	2.5
117.25325	1.4
119.04824	1.9
119.08559	24.4
121.02750	1.5
121.06474	3.9
121.10117	12.1
123.04394	4.8
123.08048	10.8
123.11697	6.9
124.05197	1.4
125.05890	1.8
125.09605	8.6
127.07514	2.4
129.06990	11.2
131.08545	12.5
131.70979	1.5
133.06404	4.1
133.10124	14.8
135.07974	2.5
135.11673	5.9
137.05972	4.2
137.09579	12.1
137.13243	2.6
139.11115	3.1
141.06935	4.9
142.07736	4.6
143.08522	3.0
145.10100	1.7
147.08005	4.7
147.11670	21.1
149.09560	9.7
149.13213	2.3
151.07550	2.9
151.11142	3.4
153.09055	2.4
154.07710	4.1
155.08537	26.2
155.10597	1.6
157.10127	18.4
165.12691	7.4
167.07008	36.2
167.08536	9.1
167.10651	6.8
168.09265	3.3
169.08702	2.7
169.10091	39.9
169.12202	1.7
170.10788	2.9
175.11150	21.8
175.14760	7.1
179.07019	4.9
181.08612	1.9
181.10043	12.0
181.98584	1.4
182.10938	10.2
183.11662	14.2
193.08569	3.6
193.10374	2.8
193.12213	58.1
193.15808	4.2
195.11662	1.6
196.12442	19.8
205.98657	1.5
211.07564	3.3
211.11029	5.0
211.13173	27.9
211.14793	100.0
211.16925	4.4
212.15086	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1689
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03925	4.1
55.01856	4.4
55.05501	39.8
56.96560	11.1
57.03429	18.5
57.07063	9.0
59.04990	11.6
65.03925	2.3
67.05493	48.0
67.45404	1.9
69.03410	9.3
69.07059	36.7
69.97576	6.3
69.97984	4.1
71.04977	33.3
79.05487	18.4
81.03398	18.5
81.07045	68.5
83.04964	32.1
83.08608	24.3
85.06528	14.3
91.05460	20.8
93.07028	62.8
95.04948	22.5
95.08588	74.6
96.08926	2.1
97.02873	2.2
97.06506	20.0
97.10157	6.9
97.99165	2.5
98.32877	1.6
99.04447	10.4
99.08073	16.3
101.05992	3.6
103.05466	1.7
105.03367	3.8
105.07010	26.1
107.04952	2.9
107.08578	56.8
109.06505	16.2
109.10136	100.0
110.10475	3.3
111.04330	1.6
111.08065	28.6
113.09630	4.9
115.07539	6.6
117.06978	3.1
119.04916	3.3
119.08556	47.7
121.06525	4.0
121.10112	27.4
123.04419	5.5
123.08050	29.7
123.11684	55.1
125.09579	10.3
127.07511	3.9
129.06981	6.5
131.08540	5.4
133.06459	2.3
133.10107	48.9
133.11072	3.5
135.08089	4.1
135.11670	87.7
136.11990	2.0
136.19403	1.8
137.05959	9.6
137.09596	55.3
137.13225	8.1
138.10342	5.5
139.11174	3.9
141.06932	2.4
141.09073	2.6
141.12762	4.1
142.07788	2.3
147.04330	1.9
147.08064	4.1
147.11646	15.2
149.05965	4.8
149.09607	3.2
149.13214	12.2
150.70680	1.7
151.03911	4.9
151.07529	4.2
151.11163	11.4
151.14778	6.9
153.12703	7.6
154.07758	3.9
155.08543	8.2
155.10654	9.8
157.10130	6.4
160.12456	1.8
163.11179	2.9
165.09142	2.7
165.12720	7.6
165.16374	9.2
166.06181	2.5
167.07013	42.8
167.08540	4.7
167.14313	2.4
168.05655	2.4
168.09409	2.3
169.10104	19.4
170.10762	2.6
175.11182	7.6
175.14801	59.2
178.06036	1.8
179.07021	6.3
181.08569	6.5
181.10034	2.8
182.10936	2.9
183.08005	3.2
183.11714	4.3
193.08481	3.6
193.12222	16.6
193.14098	3.3
193.15837	42.6
196.12457	7.9
211.07518	8.8
211.09583	8.6
211.11197	5.8
211.13148	9.0
211.14818	35.7
211.16930	76.8
212.16675	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.87709	1.1
53.03919	3.9
55.01858	6.2
55.05502	42.6
57.03426	15.3
57.07051	2.5
59.04985	2.4
61.06689	0.9
62.90818	1.0
65.03909	2.9
65.98102	0.9
67.05492	37.5
69.03414	11.0
69.06718	1.3
69.07055	19.0
71.01333	1.3
71.04981	12.9
71.08587	1.4
77.03867	1.0
79.05477	34.0
81.03402	100.0
81.07041	49.1
82.03720	1.2
83.04967	47.6
83.08602	41.7
84.42713	1.0
85.02866	2.6
85.06525	8.6
91.05463	33.5
93.06477	1.4
93.07030	26.5
94.07310	1.0
95.04951	42.9
95.08588	27.3
97.02860	4.4
97.06501	7.6
97.10155	8.7
98.20746	3.7
99.04404	3.1
99.08073	17.2
101.05980	1.8
101.09593	1.2
103.05431	2.1
105.03347	1.5
105.07012	26.2
107.04931	7.8
107.08569	18.6
109.06499	10.3
109.10130	21.5
110.03782	1.0
111.04406	3.6
111.08060	19.9
113.05962	1.2
113.09582	2.0
115.05405	1.9
116.03794	1.1
117.06958	2.4
119.04911	1.6
119.08562	28.4
121.06441	4.0
121.09307	1.3
121.10116	14.5
123.04364	4.0
123.08048	9.1
123.11687	9.4
125.05959	1.3
125.09580	7.4
127.11081	1.6
129.06990	10.8
131.08565	13.1
133.06429	4.7
133.10100	19.2
135.08020	1.5
135.11661	10.0
137.05939	2.8
137.09593	13.3
137.13188	2.4
139.11131	1.9
142.07721	2.7
143.01898	1.0
145.10034	2.0
147.07962	3.9
147.11674	19.4
149.05910	3.3
149.09613	9.4
149.13214	2.3
151.03856	1.2
151.07472	2.0
151.11102	3.5
151.14702	2.1
155.08498	3.6
155.10591	3.2
157.10110	17.9
163.14729	1.0
165.06978	1.6
165.09036	1.3
165.12704	6.5
165.16350	1.3
165.33868	1.0
167.07024	20.3
167.10619	3.0
169.10091	5.7
173.13129	1.5
175.09744	1.4
175.11159	19.8
175.14778	9.9
179.06934	2.8
181.08502	2.2
181.09982	1.1
182.10884	1.2
183.11610	1.5
193.12207	61.7
193.15834	12.6
196.12419	2.3
200.64438	1.2
211.07510	2.4
211.09299	2.0
211.11246	2.0
211.13165	33.0
211.14818	4.6
211.16798	8.7
229.64497	1.3
230.62968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03923	5.5
55.01870	5.6
55.05502	36.4
57.03425	13.1
57.07066	2.8
59.04990	2.2
65.03939	1.6
67.05492	32.7
69.03416	13.2
69.07053	15.5
70.02446	4.5
71.04984	9.4
78.19687	1.2
79.05479	33.5
81.03404	100.0
81.07043	44.0
81.90163	1.1
83.04967	51.9
83.08604	36.6
85.02895	2.9
85.06550	6.0
91.05461	32.3
93.07027	23.8
95.04952	38.2
95.08592	24.5
97.02881	5.4
97.06496	7.3
97.10148	9.8
99.04458	2.1
99.08085	6.2
102.78923	1.3
105.07009	24.0
105.07666	1.8
107.04950	6.9
107.08579	12.3
109.06499	8.1
109.10134	12.4
111.04417	2.1
111.08070	21.2
113.06025	2.2
115.05425	2.0
117.06984	1.8
119.04954	2.0
119.08562	25.8
121.06491	3.1
121.10137	13.0
123.04453	3.4
123.08067	5.1
123.11692	5.3
125.09592	8.3
129.06972	11.4
131.08542	15.1
133.06497	3.5
133.10104	14.1
135.08041	1.4
135.11667	6.5
135.90669	1.1
137.05962	2.6
137.09605	6.5
139.11176	2.3
141.06967	2.3
142.07877	1.7
145.10086	1.6
147.08070	7.3
147.11670	20.3
149.05933	2.3
149.09567	8.3
151.03889	1.3
151.07544	2.9
151.11166	1.4
151.14807	1.9
153.09036	1.4
155.08551	3.3
157.10106	16.4
165.05461	1.2
165.12775	4.2
167.07053	17.9
167.08432	2.4
169.10146	5.1
169.12375	1.2
175.11143	18.2
175.14786	5.2
179.07013	3.1
181.10052	3.4
182.10954	1.5
193.04967	1.4
193.06584	1.8
193.12210	67.0
193.15833	6.8
196.12392	2.6
211.07495	3.7
211.09456	1.7
211.11417	1.3
211.13260	36.3
211.14877	10.8
211.16911	7.7
218.58542	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9403
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34661	8.1
59.57846	9.0
70.45326	30.5
78.01577	8.8
94.93042	11.9
112.89573	37.5
114.61027	8.9
114.93982	8.9
117.71587	10.6
120.94534	23.6
210.94046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03937	1.5
55.01854	0.7
68.30248	0.3
70.07455	1.2
74.29841	0.4
76.46190	0.3
77.03892	0.4
78.04704	2.9
79.05467	1.3
81.03417	0.4
91.05475	9.1
93.07035	9.8
95.04955	3.3
96.05746	0.5
103.05462	8.9
105.04499	0.8
105.07021	3.3
106.04170	2.5
107.04955	1.3
115.05437	0.4
119.04919	0.9
121.06493	17.1
122.03654	0.4
123.04415	7.1
124.05199	1.8
131.04848	0.4
131.06013	0.4
133.06474	2.6
134.03658	0.8
135.04445	0.4
137.05959	1.9
138.06714	0.4
148.05139	0.4
149.05972	29.6
150.03064	0.3
151.03850	2.6
152.04665	1.6
161.05969	3.7
164.68225	0.5
165.05472	1.3
166.06247	6.4
167.07027	100.0
168.07361	1.4
180.07797	2.2
181.08578	34.2
182.08900	0.7
190.52826	0.3
193.08636	1.7
205.41032	0.3
208.19363	0.3
211.07777	0.7
211.09637	8.5
211.11478	0.6
227.24420	0.3
232.84389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1325
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.74280	1.6
53.03934	6.3
53.99172	1.6
55.01857	6.8
55.05507	22.8
56.96563	14.1
57.03429	52.1
57.07053	3.8
57.46597	1.8
59.04992	2.8
61.06558	1.6
65.03922	3.6
67.05492	36.8
69.03423	6.5
69.07057	16.3
69.51563	1.9
71.04983	14.5
71.62524	1.4
75.04475	2.3
75.24321	1.5
78.04720	2.6
79.05051	3.2
79.05482	39.5
81.03407	22.2
81.06567	3.1
81.07043	49.0
83.04977	17.6
83.08613	13.3
84.96023	4.0
85.02915	1.8
85.06554	7.5
91.05466	100.0
93.07024	49.2
95.04952	31.6
95.08588	23.7
97.06519	8.6
97.10158	3.7
97.99171	3.2
99.04437	5.4
99.08086	12.4
99.10706	1.7
103.05469	2.9
104.06239	3.2
105.04538	1.6
105.07021	20.7
107.04925	12.0
107.08585	21.9
109.06499	30.7
109.10148	23.0
111.08064	6.2
115.05452	5.2
116.00206	7.4
117.06992	17.8
119.04930	1.8
119.08565	42.7
120.09308	1.5
121.06506	9.0
121.10139	9.0
122.07264	3.2
123.04369	3.0
123.08058	6.8
123.11705	6.2
125.05985	2.2
125.09605	4.2
128.06227	2.9
129.06973	7.9
131.08575	10.5
132.05684	3.0
133.06494	2.6
133.10117	13.9
135.08051	5.1
135.11681	7.0
137.05962	3.8
137.08672	1.6
137.09575	9.5
139.01712	1.8
139.07549	1.4
140.14374	1.8
147.11719	10.3
149.05884	2.0
149.09663	4.6
149.13226	3.3
151.03873	1.7
151.07571	4.3
151.11160	3.2
151.14757	3.0
153.09059	2.7
155.08548	6.1
155.10593	2.6
157.10100	5.1
163.97676	2.0
165.09125	2.5
165.12743	4.1
167.07053	14.1
167.08308	2.7
167.10567	3.0
169.10123	6.2
175.11186	6.2
175.14774	8.7
179.07028	3.6
181.08498	3.2
182.10979	2.4
183.07860	1.5
183.11668	3.8
193.12187	16.5
193.15866	7.0
205.98579	2.1
211.09492	2.1
211.11240	3.0
211.13022	17.3
211.15172	13.1
211.16946	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	209.1532
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03930	1.6
55.01859	0.9
55.05497	5.2
55.69315	0.7
57.03423	0.6
57.07063	1.7
59.04994	1.6
67.05494	4.0
68.09167	0.6
69.03419	11.5
69.07058	4.7
70.91144	2.1
71.04961	1.4
73.57393	0.6
79.05476	2.9
81.03395	8.3
81.07031	7.5
83.04948	4.6
83.08586	3.3
85.06516	1.2
91.05473	3.7
93.03349	0.9
93.07020	5.3
95.04953	13.9
95.08595	9.4
97.06499	2.2
99.04429	1.0
99.08081	1.8
105.07011	4.8
106.04143	2.0
107.08573	12.6
109.06495	14.4
109.10126	2.7
111.08038	1.1
119.08559	5.4
121.06472	3.0
121.10123	15.9
123.08050	11.9
123.11678	8.5
125.09530	1.3
131.08522	1.9
133.10100	2.8
135.08002	2.3
135.11632	1.8
137.09592	4.3
137.13235	1.9
139.07593	0.8
145.10127	1.2
147.11653	4.5
149.05916	2.9
149.09587	12.7
149.13235	8.2
151.11139	6.9
153.09106	2.0
163.14803	1.6
165.12720	100.0
166.13000	0.7
167.14273	1.9
173.13190	2.3
177.05420	2.2
191.14282	6.0
209.08044	1.7
209.15323	59.9
210.15691	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.40919	0.9
53.33529	1.0
53.76517	0.9
55.01846	1.4
55.05484	3.2
57.07073	7.1
57.23993	1.1
67.05495	7.7
69.03074	1.4
69.03423	24.9
69.07043	4.0
71.04983	1.8
71.13669	1.6
71.13994	1.9
79.05479	5.8
81.07047	10.4
83.04973	13.1
83.08601	2.4
85.06525	9.0
91.05453	4.2
91.22305	1.2
93.03377	1.1
93.07032	6.3
95.04940	3.3
95.08589	11.1
97.06513	2.9
105.07004	6.4
106.04163	1.1
107.08578	23.7
109.06499	11.5
109.10139	5.8
111.08054	6.6
119.08553	5.4
121.06490	3.4
121.10126	12.4
123.08053	5.1
123.11665	5.2
125.09613	66.0
131.08545	11.3
133.10107	9.8
135.08029	17.4
135.11673	5.4
137.09593	1.8
143.08510	1.5
144.09340	1.2
145.10139	4.9
147.11703	6.0
149.05937	3.7
149.09590	11.9
149.13234	7.6
150.10339	1.8
151.11171	4.2
153.09082	14.6
158.10869	4.2
161.09578	1.7
163.11165	4.0
163.14728	5.6
165.12717	10.5
167.14268	1.3
173.13234	25.0
176.11882	2.6
177.05444	2.2
181.08553	1.5
191.14273	97.9
192.14629	2.2
204.83319	1.1
209.07982	1.4
209.15334	100.0
210.15614	2.2
229.18896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03934	3.6
55.01859	8.2
55.05501	82.0
57.03429	2.9
57.07050	2.9
59.04977	4.5
65.03918	3.1
67.05494	9.1
69.03411	9.9
69.07055	5.9
70.77924	3.3
71.04971	4.6
78.04678	1.6
79.05479	6.0
80.81017	0.9
81.07051	13.7
83.04964	92.6
83.08604	50.0
83.09105	2.6
85.02901	1.8
85.06519	4.7
89.03903	1.2
91.05458	11.1
93.03371	3.3
93.07032	15.1
95.04954	16.4
95.08018	1.5
95.08578	12.1
97.06526	8.0
97.10157	10.0
99.04449	2.5
99.08071	2.5
103.05448	3.4
105.07024	5.3
105.44958	0.9
106.04153	11.1
107.04964	1.7
107.08582	28.0
109.06502	15.7
109.10136	28.3
111.04478	1.5
111.08072	13.3
113.09634	1.7
119.08518	3.4
121.06492	13.4
121.10116	18.0
123.04455	1.2
123.08033	3.8
123.11674	14.6
125.05936	3.7
125.09602	15.5
131.08536	3.7
133.10120	10.4
134.03629	1.4
135.08026	6.3
135.11636	2.2
137.05939	2.1
137.09573	2.4
139.07491	2.7
139.11159	1.2
145.02850	1.8
145.10085	1.7
147.11607	2.5
148.05165	1.7
149.05959	18.6
149.09557	1.3
149.13251	12.5
151.11159	63.7
153.05463	1.4
153.09044	9.2
163.07509	1.4
163.11142	1.8
163.14772	4.5
165.05511	1.0
165.12733	2.3
167.14284	100.0
168.14578	1.5
173.13181	5.5
177.05460	9.8
181.08563	4.0
191.07004	2.5
191.14296	9.8
209.04489	1.4
209.08183	6.7
209.09796	1.6
209.15323	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01846	2.5
55.05509	25.7
55.47117	1.3
57.03421	1.6
57.07069	7.1
57.66254	1.2
59.04985	2.8
60.91163	1.2
65.03938	2.5
67.05502	10.4
69.03402	4.1
69.07058	8.3
70.95479	3.7
71.04989	4.4
79.05482	8.3
81.07051	18.0
81.57191	1.4
83.04976	55.9
83.08619	12.4
85.06533	4.0
91.05473	9.2
93.07037	16.3
95.04965	29.6
95.08604	22.3
97.06519	15.1
97.10144	5.1
99.04423	7.7
99.08080	4.0
105.07014	11.1
106.04066	3.0
107.05000	1.6
107.08582	26.6
109.06510	100.0
109.10142	27.4
111.08079	9.6
113.09630	4.1
117.07008	1.8
119.08576	5.5
121.06485	3.5
121.10132	24.9
123.08043	8.0
123.11671	8.0
125.09643	17.1
127.07570	2.2
131.08545	12.3
132.87962	1.6
133.10115	28.0
135.08028	19.3
135.11711	4.2
137.09627	2.1
139.07513	2.2
139.11102	2.0
140.07430	1.4
145.10078	2.8
147.11684	4.2
149.05983	2.8
149.09599	26.7
149.13235	11.8
151.09972	1.5
151.11165	25.6
153.09102	20.3
163.11159	1.5
163.14819	7.3
165.12726	2.0
167.14311	19.1
167.48026	1.5
173.13264	15.2
177.05481	4.2
191.14296	32.7
209.08109	3.4
209.15364	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	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01852	3.5
55.05495	6.9
57.07060	3.9
59.04989	3.0
62.19188	1.3
63.16538	1.3
67.05500	8.8
69.03413	8.6
69.07050	6.8
70.17509	2.7
70.17903	3.5
71.04981	3.0
74.86432	1.4
79.05479	17.4
81.07044	35.6
83.04974	4.0
83.08594	3.9
91.05467	14.6
93.03400	2.2
93.07024	13.4
95.04935	7.5
95.08577	7.9
97.06494	4.6
98.21493	1.5
99.04452	1.5
103.05465	3.4
105.07013	13.9
106.04149	5.7
107.04919	1.8
107.08574	81.6
109.06496	72.1
109.10124	14.8
111.08064	2.9
111.31138	1.4
113.09639	1.5
115.05431	3.0
115.07549	2.5
117.06988	4.6
119.06108	1.9
119.08572	6.4
121.06501	10.1
121.10106	25.0
122.07262	5.9
123.08040	8.0
123.11726	2.5
125.05952	2.2
131.08502	7.2
133.10106	100.0
135.08032	42.2
135.11714	3.4
137.09593	73.0
143.08528	1.7
145.10054	3.3
147.11653	6.9
149.05983	8.3
149.09628	4.2
149.13226	17.5
151.11156	5.0
153.09085	7.1
163.11130	1.8
163.14824	10.9
167.14336	2.0
173.13242	15.4
177.05489	6.1
181.08629	1.9
191.07031	1.5
191.14270	40.5
209.08028	2.3
209.15344	21.1
209.17371	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03949	1.8
55.01854	2.8
55.05499	8.8
57.07043	1.3
59.04992	1.7
65.03935	1.4
67.05501	7.5
69.03420	11.5
69.07063	13.5
69.30498	6.9
69.30929	6.2
71.04971	6.4
79.05494	5.4
81.03420	1.7
81.07050	14.8
83.04972	19.1
83.08597	7.3
91.05451	9.5
92.84812	1.4
93.03374	1.4
93.07030	13.1
95.04965	19.7
95.08601	25.0
97.06506	6.3
98.21436	2.7
99.04432	3.0
99.08065	6.1
103.05435	2.7
105.07015	9.1
106.04176	3.7
107.04910	2.5
107.08585	38.4
107.32169	1.3
109.06496	11.1
109.10151	18.2
111.08077	4.8
113.09647	1.4
119.08578	7.4
121.06502	10.4
121.10123	38.1
121.11016	2.1
123.08067	6.7
123.11701	5.3
125.00232	1.3
125.05969	1.8
125.09636	13.2
131.08549	5.9
133.10118	15.9
135.08049	12.4
135.11699	6.7
137.09616	3.9
139.11218	4.7
143.08589	1.5
145.10176	2.3
147.11662	12.7
148.08904	1.3
149.05916	6.7
149.09633	12.5
149.13228	17.3
151.11162	100.0
153.09128	7.5
158.10895	4.3
163.11107	1.5
163.14781	9.5
165.12720	9.6
167.14333	4.2
173.13234	12.6
177.05518	5.2
181.08586	2.2
191.14282	50.3
209.08124	4.0
209.15327	14.0
222.30962	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1533
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03918	2.8
55.05502	98.6
57.07061	3.0
59.04986	4.7
61.55673	1.8
67.05480	6.6
69.03419	7.4
69.07050	5.7
69.67965	5.4
69.68366	7.1
69.86808	1.5
71.04974	4.0
71.53844	1.8
79.05479	6.8
81.07043	14.2
83.04972	85.9
83.08128	3.4
83.08607	53.7
84.16642	1.8
84.48848	1.8
85.06532	4.2
89.09363	1.6
91.05490	3.6
93.07034	12.6
95.04954	15.3
95.08579	7.6
97.06506	7.8
97.10166	11.4
98.20732	2.8
105.06986	4.7
107.08585	26.9
109.06525	13.1
109.10151	26.5
111.08057	8.8
121.10139	32.7
123.08065	2.6
123.11718	14.4
125.09615	15.4
131.08597	2.1
133.10071	8.0
137.23134	1.8
149.13194	10.7
151.11163	64.6
153.09061	7.2
157.43658	1.9
163.14764	5.1
167.14297	100.0
173.13258	2.7
191.14326	6.5
209.15338	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.31948	1.2
55.01860	2.6
55.05254	1.7
55.05503	23.6
57.03432	1.9
57.07060	2.8
59.04981	3.7
65.03918	1.6
67.05485	7.6
69.03406	2.9
69.07042	4.2
70.62642	3.1
71.04987	9.8
78.36766	1.2
79.05475	3.7
81.07034	15.0
83.04969	27.4
83.08598	14.6
85.06527	2.9
91.05449	4.6
93.07023	9.1
95.04952	100.0
95.08578	8.4
97.06515	15.1
97.10151	2.9
99.04445	16.7
99.08056	1.8
105.07027	6.7
107.08575	15.7
109.06500	46.4
109.10139	17.6
111.08042	4.5
119.08565	3.7
121.06515	1.8
121.10129	18.1
123.08031	2.7
123.11694	6.2
125.09602	5.3
125.39205	1.2
129.39369	1.2
131.08554	6.5
133.10112	30.3
135.08015	9.6
135.11665	1.4
143.08455	1.3
145.10078	2.7
149.05940	2.4
149.09560	1.2
149.13260	7.5
151.11169	23.0
153.09081	36.7
163.11111	1.4
163.14745	3.9
167.14297	26.0
173.13219	11.9
181.04913	11.4
191.14276	17.1
209.08087	4.0
209.15331	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	209.1532
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03938	1.8
55.01849	3.0
55.05499	82.8
56.86635	1.2
57.03424	1.4
57.07045	1.5
59.04976	4.9
67.05487	8.7
69.03417	4.7
69.07040	4.4
69.76454	5.1
69.76881	4.0
71.04961	2.7
79.05437	3.3
81.07045	12.6
83.04959	84.0
83.08600	53.1
85.06539	2.5
91.05459	3.4
93.07018	10.6
94.72767	1.3
95.04949	9.6
95.08579	8.3
97.06493	9.5
97.10143	11.4
98.20717	1.4
99.04436	1.4
99.08018	1.2
105.07011	6.3
107.08572	21.0
109.06487	17.3
109.09435	2.7
109.10129	26.5
111.08057	11.6
113.09585	1.9
119.08532	1.4
121.06498	2.8
121.10115	14.4
123.08053	1.4
123.11699	15.2
125.09596	15.0
128.77890	1.4
131.08482	2.9
133.10112	10.4
135.08055	4.2
145.10114	1.7
149.05963	1.5
149.13223	9.5
151.11153	55.4
153.09071	5.0
163.14789	4.4
167.14282	100.0
168.99350	1.5
173.13245	5.3
177.05469	2.0
191.14284	6.1
194.02058	4.0
209.04411	4.7
209.15323	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.01600	1.7
53.03925	6.3
55.01867	29.8
55.05264	2.1
55.05508	41.7
57.03421	6.4
57.07052	5.6
58.28676	1.7
59.04992	4.2
59.33916	1.6
61.06730	1.7
65.03928	10.9
67.05496	20.8
69.03424	11.9
69.07056	22.2
70.09296	9.7
71.04990	14.0
75.04488	9.4
78.04701	11.0
79.05487	23.1
81.03400	4.0
81.07048	34.9
83.04972	42.8
83.08611	19.9
85.02877	8.7
85.06541	9.2
89.03892	7.2
89.06013	3.5
91.04899	3.0
91.05466	53.6
93.03387	24.0
93.06465	2.8
93.07035	51.9
93.19131	1.6
95.04961	61.6
95.08589	32.6
97.06516	18.6
97.10130	4.2
99.04436	14.6
99.08079	7.6
101.05940	1.8
103.05459	24.3
105.03373	2.4
105.04479	2.7
105.07023	25.8
106.04163	70.2
107.04979	8.7
107.08582	58.6
109.06504	73.4
109.09459	2.2
109.10149	34.1
111.04446	4.2
111.08059	13.1
113.06010	2.5
113.09644	1.6
117.03345	5.3
117.07027	4.2
119.04929	5.0
119.08561	28.4
121.06488	89.7
121.09304	2.7
121.10124	42.6
122.06842	2.0
123.04411	5.1
123.08047	14.5
123.11705	15.1
124.05219	2.5
125.05984	23.5
125.09618	22.2
127.07542	2.9
127.11166	2.7
131.04903	7.8
131.08546	20.8
133.02769	1.5
133.10106	29.7
134.03622	12.4
135.04378	5.4
135.08026	33.6
135.11656	18.5
137.05975	15.4
137.09607	4.8
137.13223	4.9
138.03101	1.8
138.06691	2.7
139.07520	14.9
139.11179	2.4
143.08557	2.5
145.02838	5.1
145.10106	14.9
147.04399	3.5
147.11691	13.3
148.05193	11.3
149.05966	100.0
149.09604	22.5
149.13242	20.5
150.06329	2.6
151.07515	6.8
151.11153	30.6
153.05460	7.9
153.09090	35.0
158.10870	4.7
159.04388	2.8
162.36186	1.5
163.07541	9.6
163.11194	15.2
163.14818	15.8
165.12749	39.0
166.06262	3.6
167.06958	5.6
167.14320	34.9
173.09607	2.1
173.13237	35.1
176.04639	2.4
177.05461	64.9
181.08612	24.6
191.07013	14.9
191.10640	4.8
191.14284	62.1
191.17928	3.0
209.04497	4.0
209.08115	37.3
209.11330	7.2
209.13420	4.2
209.15329	83.3
217.80237	1.6
220.80447	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1532
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03938	3.7
55.01855	2.5
55.05501	94.4
57.07043	3.4
59.04974	3.5
67.05491	12.5
68.25085	1.8
69.03401	5.9
69.07051	8.9
69.79768	12.1
71.04970	4.7
79.05468	4.6
81.07040	18.4
83.04966	85.1
83.08131	4.1
83.08601	57.3
85.06534	3.2
91.05439	4.9
93.07024	18.8
95.04954	28.3
95.08596	12.7
97.06503	12.8
97.10126	9.3
99.04431	4.7
99.08066	2.6
105.07046	9.3
107.08572	32.2
109.06495	40.4
109.10142	32.5
111.04472	2.6
111.08048	13.7
111.69095	1.9
112.08797	2.3
113.09600	3.6
119.08571	5.3
121.09289	3.6
121.10122	42.7
123.08058	3.9
123.11674	14.2
125.09624	15.6
131.08548	7.2
133.10109	23.2
135.08018	7.7
147.11655	2.0
149.09572	2.3
149.13214	13.2
151.11162	56.8
153.09071	11.1
163.14766	6.2
167.14288	100.0
173.13275	11.4
191.14246	17.1
209.15326	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	209.0806
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
52.66739	0.5
53.03958	2.2
55.01861	6.3
55.05504	8.4
55.05743	0.6
56.96564	0.6
57.03447	1.0
57.07087	1.2
59.05016	1.0
65.03938	1.1
66.36935	0.4
67.05197	0.5
67.05494	2.2
69.03423	2.3
69.07055	2.2
69.69572	1.3
69.70001	1.9
71.05007	1.4
72.08124	0.5
78.04739	0.9
79.05491	4.5
81.03427	2.0
81.07045	3.8
82.94836	0.9
83.04969	10.6
83.08610	4.9
84.04487	0.5
85.02925	0.9
85.06550	1.0
89.03906	4.9
89.04304	0.4
91.05467	15.5
93.03413	0.6
93.07035	10.5
94.06559	1.1
95.04958	9.9
95.08601	4.5
97.02890	1.0
97.06518	3.5
97.10178	0.9
98.97581	0.6
99.04455	1.2
101.05998	0.5
103.03951	0.7
103.05453	22.3
105.03428	1.0
105.04525	0.9
105.07041	2.5
106.04139	2.3
107.04936	9.6
107.08593	6.0
109.02879	0.8
109.06503	8.3
109.10137	4.4
111.04460	0.8
111.08080	2.4
113.09740	0.5
117.03364	6.4
117.07042	1.2
118.04172	1.7
118.06492	1.1
119.04926	5.4
119.08615	1.2
120.04436	0.6
120.05729	2.8
121.06488	28.7
121.10119	8.4
123.08047	1.7
123.11710	1.2
123.97460	1.5
125.06004	0.9
125.09609	3.0
126.93739	0.7
131.04907	27.2
131.08545	1.3
133.02785	0.5
133.10121	4.7
134.03613	6.5
135.04396	5.3
135.08015	2.6
135.11691	0.8
136.07596	1.1
137.06012	1.0
139.07526	0.8
145.02821	5.6
145.10158	0.8
146.03596	0.7
146.06001	1.6
147.04395	5.3
147.11598	0.5
148.05180	11.9
149.05963	44.9
149.09653	1.2
149.13226	2.0
150.06387	0.6
151.03868	0.9
151.11171	6.0
153.05452	1.0
153.09058	2.6
159.04401	14.7
162.03111	1.3
162.95836	1.0
163.03903	5.0
163.07524	4.0
163.14822	1.4
163.92677	0.5
164.07011	0.6
164.10637	2.5
165.05455	1.3
166.06233	2.2
166.72874	0.5
167.07030	2.2
167.14311	9.8
167.96382	1.3
173.13187	2.5
174.05437	0.6
176.04672	5.7
177.05444	100.0
178.06015	2.4
179.03436	0.7
179.05173	0.4
181.08580	2.9
185.01227	0.5
185.97408	2.4
191.06967	8.9
191.08540	0.7
191.10641	0.6
191.14252	4.2
192.06450	1.0
194.02103	0.7
194.05733	6.0
209.04524	1.8
209.08043	51.0
209.15337	11.9
210.08318	0.8
210.11136	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0807
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.56065	0.8
53.03933	4.4
55.01866	12.7
55.05499	8.3
57.03431	1.8
57.07071	1.0
57.42875	0.8
59.04984	1.3
65.03935	5.5
65.04220	0.8
67.05495	6.6
69.03423	0.8
69.07055	4.7
69.56013	1.9
69.56432	4.5
71.04983	2.4
75.04477	5.7
77.03931	1.2
78.04702	6.7
79.05478	6.9
81.03418	1.4
81.07047	9.5
83.04967	6.7
83.08603	3.6
85.02908	4.2
85.06542	2.1
88.63905	0.8
89.03894	9.4
89.04318	0.8
89.06018	1.3
91.05467	25.7
93.03391	14.6
93.07036	15.1
95.04956	12.7
95.08020	1.5
95.08588	13.7
97.06516	6.1
97.10169	2.5
99.04437	1.7
99.08085	1.6
103.05457	11.2
105.03360	1.0
105.04533	1.6
105.07013	3.3
106.04159	44.6
107.04952	2.9
107.08585	9.1
108.05766	0.9
109.06505	10.4
109.10133	10.6
111.04436	2.4
111.08024	1.7
111.11696	1.1
113.09714	0.9
117.03367	25.9
119.04950	3.5
119.08556	1.0
121.06486	44.6
121.10133	7.1
123.04398	2.2
123.08066	2.8
123.11718	2.9
124.05186	1.6
125.05956	11.9
125.09618	3.0
127.07551	1.0
131.04918	3.8
131.08582	1.1
133.02866	0.9
133.06473	1.2
133.10147	2.4
134.03604	10.8
135.04390	3.4
135.08057	4.4
135.11678	5.5
137.05946	7.3
137.09607	1.2
138.06767	2.4
139.07509	2.6
145.02824	44.2
145.10118	1.3
146.03224	1.1
147.04433	1.7
147.11691	1.3
148.05174	5.4
149.05960	66.4
149.09641	2.5
149.13264	3.3
150.06505	0.8
151.03889	2.0
151.07527	2.5
151.11153	7.7
152.33244	0.8
153.05499	4.6
153.09079	15.5
159.04396	1.4
162.03087	1.4
163.03860	4.2
163.07552	3.8
163.11156	2.1
163.14828	1.3
165.12772	1.8
166.06274	1.9
167.07060	2.3
167.14285	8.5
173.13252	2.0
176.04677	1.1
177.05449	100.0
178.05716	1.2
179.08661	1.0
180.07846	0.9
181.08585	14.1
181.10060	1.2
186.05490	1.6
191.06946	5.4
191.14290	6.4
191.17931	6.9
206.53183	0.8
209.08064	21.0
209.09631	1.3
209.13278	2.6
209.15282	11.4
209.18982	2.2
229.84804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1739
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03934	1.1
55.05499	4.5
57.03416	3.5
57.07059	3.8
59.04983	0.9
59.45735	0.8
67.05497	8.5
69.03419	1.5
69.07055	9.5
70.82003	2.5
71.04977	1.5
73.06520	1.1
79.05478	7.2
81.07046	17.2
83.04958	2.1
83.08632	4.2
85.06523	6.2
91.05453	11.3
93.07027	29.0
95.04935	2.0
95.08593	33.5
97.06444	0.8
97.10154	1.8
105.07019	23.4
107.08577	54.6
109.06483	3.6
109.10143	13.7
111.08054	2.6
111.11665	0.8
115.96457	1.6
117.06995	1.5
119.08562	40.6
120.08881	1.2
121.06468	1.3
121.10124	11.9
123.08070	8.5
123.11697	8.6
125.09566	1.1
131.08549	2.8
133.10112	46.7
133.97403	1.1
134.10596	0.8
135.11671	100.0
135.81334	0.7
136.11980	2.6
137.09593	8.8
137.13240	1.0
142.47736	0.7
145.10124	4.0
147.08032	1.0
147.11667	31.6
148.12030	1.0
149.09578	3.4
149.13239	10.8
151.11143	14.2
159.11758	0.9
160.12447	1.1
161.13266	7.6
163.11119	1.5
163.14792	16.5
165.12686	3.9
165.16403	1.0
189.12778	2.2
189.16354	99.7
190.16681	2.7
199.80461	0.8
207.09583	0.9
207.13797	4.8
207.17412	67.0
208.17766	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0805
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02363	0.7
53.03942	2.8
55.01867	10.8
55.05503	4.0
57.03424	1.5
57.07068	0.8
59.04950	0.6
59.14900	0.7
63.02375	1.0
65.03926	4.7
67.05491	4.8
69.03399	2.2
69.07045	3.0
69.74529	4.2
71.04987	3.0
75.04465	4.8
77.03899	1.1
78.04698	5.4
79.05481	6.0
81.03400	1.1
81.07047	5.8
83.04962	6.0
83.08605	2.1
85.02897	4.8
85.06512	1.0
89.03898	3.6
89.06001	1.1
90.03429	2.8
91.04226	0.8
91.05464	24.8
93.03394	15.1
93.06462	0.8
93.07024	12.8
95.04953	15.6
95.08588	5.1
95.77167	0.6
97.06511	7.9
98.20807	1.0
98.99985	1.6
99.04449	1.9
99.08050	1.2
103.05453	11.9
105.03362	1.2
105.04501	2.0
105.07016	4.4
106.04159	43.8
107.04973	3.7
107.08592	7.9
108.05714	1.1
109.06506	10.8
109.10139	8.1
110.03639	1.0
111.04432	1.7
111.08058	2.5
117.03365	3.0
118.04142	1.4
119.04905	2.9
119.08568	3.3
121.02943	0.6
121.06484	41.7
121.10114	6.9
122.07318	1.3
123.04403	2.1
123.08028	2.6
123.11715	1.6
124.05167	1.2
125.05991	11.6
125.09612	2.3
126.01050	100.0
127.01790	2.1
127.11174	1.7
131.04895	3.8
131.06004	0.8
131.08540	3.0
133.02856	0.8
133.06490	1.3
133.10104	14.9
134.03624	5.8
135.04396	2.2
135.08035	4.9
135.11652	1.0
137.05946	8.6
137.09557	3.4
138.06737	2.4
139.07510	3.9
141.02126	1.5
144.02139	1.2
145.02818	4.3
145.10109	1.8
147.04364	1.6
147.11662	2.0
148.05161	3.5
149.05954	60.8
149.09590	2.8
149.13203	3.5
150.06409	0.6
151.03915	1.0
151.07501	3.1
151.11165	4.3
153.05502	3.7
153.09077	15.0
158.10988	1.0
159.04381	1.4
161.13211	1.5
163.03870	0.7
163.07513	3.4
163.11253	0.9
163.14772	1.7
165.02159	1.1
165.05490	1.5
165.12718	2.0
166.06206	2.4
167.03651	1.4
167.07019	1.1
167.14326	2.9
168.03224	2.7
168.07803	0.6
173.13258	6.4
176.04660	0.8
177.05446	29.2
178.09953	1.2
179.06996	1.5
181.08557	14.5
191.07034	3.5
191.14270	11.9
192.03183	1.7
194.09361	1.1
209.05887	20.5
209.08078	16.4
209.11620	4.2
209.15324	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	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03940	1.2
55.05506	5.9
57.03425	4.4
57.07068	4.0
59.04990	0.9
67.05499	8.1
69.03408	3.7
69.07055	7.5
69.33672	6.7
69.34093	2.5
71.04984	1.5
73.06515	0.9
79.05489	7.1
81.03436	0.7
81.07043	17.2
83.04956	2.8
83.08607	2.7
85.02892	2.7
85.06529	6.0
91.05475	9.8
93.07033	25.9
95.04955	3.1
95.08598	29.0
97.06546	2.0
99.04436	0.8
99.08047	0.9
105.07014	22.7
105.35612	0.7
107.08578	55.5
109.06489	4.1
109.10145	13.1
111.04426	1.2
111.06856	0.8
111.08070	2.3
113.09669	1.7
115.96409	2.3
119.08568	37.8
120.08896	0.8
121.10131	11.8
123.08049	9.2
123.11706	9.0
125.09577	1.4
129.05499	1.4
131.08557	2.5
133.10117	43.5
133.97417	1.5
134.10443	0.9
135.11674	94.3
136.11995	2.6
137.09613	9.2
137.13196	1.2
145.10110	3.2
146.10825	1.5
147.08115	0.8
147.10486	1.6
147.11667	33.0
149.09531	2.8
149.13251	8.8
151.02831	1.3
151.11159	13.5
156.09274	0.9
160.12473	1.4
161.13242	8.6
163.14816	18.2
165.12718	3.5
171.11688	1.1
189.12759	3.1
189.16354	100.0
190.04916	1.0
190.16711	3.3
192.14688	0.9
207.06503	1.4
207.13799	7.5
207.17413	70.4
208.17749	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03922	1.8
55.05501	6.6
57.03406	3.1
57.07060	4.0
59.04992	1.2
67.05499	9.9
69.03402	2.5
69.07063	9.3
71.04954	2.0
71.62270	0.7
71.62685	0.8
74.32890	0.7
79.05474	7.5
81.03393	1.1
81.07041	16.1
83.04972	4.4
83.08587	3.1
85.02905	1.6
85.06513	6.3
91.05459	9.9
93.07023	24.4
95.04930	2.0
95.08591	40.0
97.06499	1.7
97.10173	1.0
99.04425	1.2
99.08032	0.9
105.07013	23.5
107.08575	48.4
109.06480	4.9
109.10138	11.7
111.08022	2.6
115.96429	2.8
117.06999	1.0
119.04917	1.1
119.08562	43.1
121.06475	0.8
121.10126	11.9
123.07197	0.8
123.08049	15.0
123.11669	7.7
125.09629	1.0
127.07542	0.9
131.08557	3.1
133.06503	1.2
133.10107	45.1
133.97429	2.8
134.10550	0.7
135.11668	81.4
136.11987	1.6
137.09589	9.3
137.13208	1.6
145.10094	3.4
146.10838	1.4
147.04437	1.2
147.08012	1.4
147.11661	32.4
149.09616	6.5
149.13213	8.9
151.07527	1.9
151.11159	11.6
151.14786	0.9
159.11691	0.8
160.12434	0.9
161.09552	1.0
161.13219	9.4
163.11176	1.8
163.14803	14.7
165.12704	4.8
171.11641	1.1
172.14148	0.8
174.13959	0.9
184.00047	0.9
189.12840	4.6
189.16351	100.0
190.04935	1.3
190.16617	3.6
204.66629	0.7
207.06403	2.0
207.09808	1.7
207.11833	1.0
207.13902	9.8
207.17406	69.8
208.06583	0.9
208.17674	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03928	2.1
55.01836	0.9
55.05305	0.6
55.05496	6.9
57.03430	3.8
57.07043	3.3
58.03616	0.8
59.04961	1.4
65.03896	0.9
67.05492	8.6
69.03393	2.3
69.07053	8.0
70.97964	1.3
70.98337	1.7
71.04977	1.7
77.03893	1.0
79.05104	0.8
79.05473	7.1
81.03406	0.9
81.06584	1.0
81.07039	16.0
83.04964	3.7
83.08594	3.0
85.02877	1.5
85.06525	5.5
91.05460	10.8
93.06461	1.5
93.07025	22.4
95.04935	2.6
95.08591	35.9
97.06503	1.6
97.10150	1.4
99.08039	0.8
105.07008	22.0
107.08575	46.4
108.08880	1.1
109.06507	4.9
109.10137	12.6
109.99017	0.8
111.04409	0.8
111.08022	3.5
113.09615	0.9
115.96416	3.0
116.97160	0.8
117.07046	1.3
119.04884	1.1
119.08560	36.4
120.04527	1.0
120.08849	0.8
121.06468	1.3
121.09308	1.1
121.10115	11.3
123.08052	11.4
123.11694	8.0
125.09592	1.4
127.07545	1.3
131.08524	2.6
132.82613	0.7
133.06506	1.3
133.10106	37.8
133.97409	2.1
134.10384	0.9
135.11665	75.6
136.12004	1.6
137.09598	7.7
137.13185	1.8
145.10045	2.2
146.10789	1.0
147.04428	1.1
147.08037	1.1
147.11670	30.5
147.18768	0.8
149.01242	0.8
149.09590	6.3
149.13232	9.5
151.07529	1.8
151.11160	10.0
159.11731	1.0
161.09554	1.1
161.13235	8.7
161.81371	0.8
163.11131	1.2
163.14806	11.7
165.12712	4.2
171.11688	1.4
184.00111	1.4
189.12798	5.8
189.16354	100.0
190.04993	1.4
190.16692	4.2
192.09288	1.1
207.06480	2.9
207.09842	1.4
207.11841	1.8
207.13817	9.2
207.17412	59.6
208.17737	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.174
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.88693	0.9
55.05501	6.9
57.03413	3.6
57.07058	2.7
59.05001	1.1
65.03918	1.8
67.05501	7.9
69.03406	3.4
69.07062	8.6
70.05857	5.9
71.04971	1.3
79.05495	6.4
81.07047	15.0
83.04953	3.6
83.08597	3.5
85.06536	6.2
91.05453	7.9
93.06452	1.9
93.07027	28.0
95.04939	2.6
95.08595	32.4
97.06496	2.0
99.08066	1.3
105.07014	22.4
107.08581	57.3
109.06490	5.8
109.10149	11.9
111.08050	4.0
115.96407	2.3
116.25183	1.0
117.06990	1.7
119.08562	41.1
121.10127	13.0
123.08057	7.0
123.11707	8.0
125.09666	1.1
127.07539	1.0
129.05392	1.3
131.08507	2.8
133.10114	46.8
133.97449	1.0
135.11674	96.4
136.12003	1.1
137.09607	5.7
137.13283	1.4
145.10074	2.8
146.10922	1.2
147.04330	1.2
147.07956	1.3
147.11667	35.6
149.09608	4.6
149.13225	9.5
151.11153	14.2
159.11681	1.3
160.12447	1.6
161.13232	8.9
163.14799	16.3
165.12729	3.5
184.00099	1.0
189.12802	3.1
189.16362	100.0
190.04857	1.1
190.16689	3.1
207.06516	2.1
207.14148	7.3
207.17418	66.0
217.82983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1741
Annotation	beta-Irone
Peak:m/z	Relative Intensity
55.05499	8.7
56.96562	1.3
57.03416	1.3
57.07061	2.3
67.05494	12.4
69.03399	3.9
69.07063	12.1
69.30388	0.7
69.73053	1.9
69.73463	3.8
71.04987	1.2
79.05477	9.7
80.17099	0.8
81.03398	1.8
81.07046	30.5
82.36071	0.7
83.04966	3.0
83.08614	4.0
85.02899	1.4
85.06501	1.1
91.05461	15.7
93.07032	24.9
94.07329	1.1
94.16027	0.8
95.04961	2.5
95.08591	57.2
97.06509	2.5
97.10164	4.1
105.07016	38.3
107.08576	28.4
109.06522	2.6
109.09444	1.4
109.10143	19.0
111.04398	1.1
111.08058	3.5
115.96397	3.0
116.97215	0.9
117.06998	1.8
119.08561	51.7
121.06553	0.8
121.10120	14.7
123.08050	5.9
123.11689	7.1
131.08528	4.0
133.10110	38.7
133.97453	1.9
135.08018	1.1
135.11679	7.6
137.09547	3.8
145.10077	5.1
146.10826	1.7
147.04324	1.5
147.08003	1.3
147.11661	30.8
148.11952	0.9
149.09656	4.3
149.13239	50.6
150.13589	1.5
151.07500	1.5
151.11165	2.0
156.09311	0.8
156.99074	0.9
159.11662	1.5
160.12436	1.1
161.13231	12.3
163.11113	0.9
163.14818	4.1
165.12767	2.8
171.11705	2.2
174.14008	2.1
177.16429	1.5
179.06535	0.7
179.17912	1.0
184.00070	1.2
189.12799	4.9
189.16354	100.0
190.04987	3.0
190.16658	2.4
193.94308	0.7
207.04654	0.8
207.06526	2.3
207.09952	1.2
207.11855	1.2
207.13936	9.3
207.17412	61.1
208.17622	1.3
215.31285	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03919	2.9
53.25810	1.8
55.01858	3.2
55.05489	8.2
57.03428	2.7
57.07056	6.3
59.04973	2.2
62.29848	1.7
65.03914	2.9
67.05504	16.4
69.03114	2.1
69.03426	21.4
69.07042	9.0
69.94610	7.1
69.95026	3.9
70.07399	2.0
71.05014	4.4
79.05480	14.6
81.03407	3.7
81.07050	51.1
83.04982	10.1
85.02896	3.3
85.06519	10.3
91.05484	19.9
93.07032	22.5
95.04971	18.8
95.08594	41.6
95.09213	2.0
97.06507	4.7
98.21467	3.6
98.97565	3.2
99.04478	1.9
105.07022	40.3
107.04920	4.1
107.08589	70.0
108.05625	2.1
109.06514	25.2
109.10165	9.1
109.86117	1.8
111.08047	5.9
113.05970	3.0
117.06989	3.7
119.04952	9.8
119.08570	36.6
121.06485	8.3
121.10139	25.7
123.04441	15.4
123.08067	38.2
123.11681	10.0
125.09615	2.6
128.11388	2.0
131.08542	9.0
133.06467	5.5
133.10129	27.4
135.08038	9.8
135.11652	4.7
137.05957	4.1
137.09587	22.4
139.07521	2.5
141.06929	2.2
142.41954	1.8
143.08527	4.2
145.10092	8.5
147.04376	6.6
147.08002	10.8
147.11661	43.7
149.09618	48.3
151.07535	100.0
156.09351	6.1
159.11647	3.6
161.09618	4.4
161.13240	20.4
163.11177	13.8
164.04712	5.3
165.09050	3.5
165.12746	34.0
171.11617	10.9
174.10358	2.8
175.03903	3.6
177.12776	2.3
179.06982	5.4
179.14304	4.1
189.09071	2.5
189.12715	31.5
192.04248	2.2
199.87679	1.9
207.06468	15.6
207.13795	96.9
208.14130	2.9
218.79001	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	4.9
54.80737	0.6
55.01867	1.3
55.05501	8.2
57.03429	1.6
57.07066	2.0
59.04993	0.8
59.22841	0.6
61.13903	0.6
65.03930	2.2
67.05495	30.0
69.03413	4.4
69.07050	7.0
69.81680	4.4
71.04976	3.1
73.06550	1.0
76.38667	0.7
77.03909	0.8
79.05479	49.6
81.03400	2.8
81.07044	24.2
83.04957	5.1
83.08620	3.9
85.02888	2.3
85.06535	3.6
87.04443	1.7
89.85928	0.6
91.05466	46.7
92.05782	1.0
93.07027	100.0
94.07384	0.8
95.04951	17.4
95.08595	21.1
97.06502	2.4
97.10159	1.8
98.20764	1.2
99.04426	1.6
103.05434	0.7
105.04487	2.0
105.07015	29.2
107.04934	1.7
107.08574	14.2
107.36348	0.6
109.06510	6.8
109.10126	3.8
111.04454	1.0
111.08055	1.8
113.06055	0.8
115.05417	1.1
115.96461	3.6
116.97169	1.0
117.06997	4.5
119.04885	1.8
119.08561	20.1
121.06480	2.8
121.10098	5.1
121.86062	0.6
123.08041	9.7
123.11663	2.6
127.07494	1.7
128.06151	1.6
129.05470	1.2
129.06979	10.2
131.08524	2.9
133.06494	1.1
133.10117	10.3
133.97482	3.2
135.08080	1.3
135.11679	5.7
137.09579	2.1
139.11147	0.7
141.57196	0.7
143.08543	5.7
145.10110	8.5
147.04343	2.1
147.08018	3.4
147.11662	54.8
149.02332	1.0
149.09590	6.1
149.13168	1.0
151.07478	1.6
151.11136	1.3
156.09340	1.1
159.11687	0.8
161.09601	5.8
161.13223	12.8
163.11092	1.4
165.09032	1.4
165.12720	1.5
171.11659	24.8
175.03815	0.7
179.06927	0.9
183.97581	0.8
189.12715	17.0
189.16327	6.0
190.04945	0.9
192.04228	1.0
207.06448	4.7
207.09875	1.6
207.11923	1.9
207.13753	42.4
207.17220	6.6
208.14037	1.0
228.93942	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01846	1.3
55.05488	2.6
57.07045	1.9
59.04982	1.5
60.93948	1.0
67.05492	5.3
69.03403	3.6
69.07041	3.0
70.60770	2.3
71.04973	2.7
73.85741	0.7
79.05468	4.7
81.07049	16.4
83.08574	1.2
85.02891	100.0
85.06516	2.4
91.05468	21.2
93.07010	5.0
95.04936	2.0
95.08599	9.9
105.07015	21.6
107.08570	9.3
109.06487	7.6
109.10136	12.8
111.04418	1.6
116.06182	1.2
117.07003	2.7
119.04940	14.0
119.08559	19.8
121.06456	2.2
121.10123	12.7
123.04401	2.5
123.08063	7.2
123.11684	67.1
125.05981	9.8
128.06200	1.4
129.06921	1.1
130.07751	1.4
131.08540	6.7
133.06499	2.1
133.10078	2.7
135.08067	1.0
137.09549	1.2
139.07491	1.1
141.05409	1.0
143.08533	2.3
145.10109	11.8
147.04387	9.8
147.08043	5.2
147.11673	21.9
149.02362	2.3
149.09587	15.0
151.07542	5.7
156.09314	3.8
159.08043	1.2
159.11658	1.4
161.05934	1.8
161.09558	1.3
161.13243	3.9
163.11191	2.3
164.04663	2.5
165.12753	3.2
169.08525	1.2
171.11646	3.7
174.03192	1.0
174.10381	1.4
175.03874	16.1
179.07028	1.9
189.12730	15.3
192.04117	3.9
207.06502	13.7
207.13766	56.2
208.14099	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1375
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05492	3.6
57.07048	4.0
59.04985	1.5
64.91565	0.8
65.03902	1.2
67.05493	23.6
68.05814	0.9
69.03410	2.6
69.07037	2.8
70.19726	4.2
71.04958	1.5
71.08608	0.9
79.05463	4.1
81.07047	4.1
83.04964	3.6
85.02867	3.5
85.06522	9.5
91.05460	5.5
93.07025	9.6
95.04981	4.3
95.08588	100.0
96.08935	1.3
97.06522	1.4
105.07011	11.8
107.04901	1.1
107.08574	18.0
109.06487	3.7
109.10126	2.6
111.08065	1.9
111.78308	0.9
113.05998	7.4
117.07008	1.0
119.08562	19.8
120.09354	1.9
121.06462	2.4
121.10123	12.8
123.08039	45.3
123.11670	6.1
124.08418	1.3
125.09537	1.1
127.98909	0.8
129.07062	1.1
131.08556	4.0
133.06476	3.0
133.10092	3.3
135.08081	1.3
135.11668	6.6
136.55316	0.9
137.09590	4.7
137.13203	2.0
145.10101	1.8
147.08064	4.1
147.11639	10.9
149.09590	50.1
150.09866	0.9
151.07520	2.0
151.14790	3.9
156.09334	1.8
158.04817	1.0
159.07961	1.7
160.08783	1.3
161.09605	1.7
161.13220	15.4
163.11133	2.7
163.38145	0.9
165.09059	1.8
165.12723	10.6
171.11618	3.4
174.10350	3.8
179.14238	3.1
189.12703	21.1
207.13760	36.1
208.14101	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03940	1.2
55.05499	4.9
57.03419	1.8
57.07045	1.9
57.20840	1.3
59.04988	2.9
67.05499	11.4
68.96274	1.2
69.03424	12.0
69.07050	4.6
69.69821	4.9
69.70253	3.4
71.04974	3.2
76.07793	1.4
79.05484	7.1
81.03435	1.4
81.07053	12.8
83.04971	7.0
85.02895	11.9
85.06516	5.6
91.05470	16.6
93.07038	12.0
95.04965	6.8
95.08599	15.4
97.06538	2.6
99.08070	2.0
105.07022	40.9
107.04949	5.0
107.08596	17.2
109.06503	29.7
109.10144	7.7
113.06072	1.2
116.06217	1.8
117.06984	5.3
119.04916	4.7
119.08573	48.6
121.06489	4.3
121.10134	21.5
122.07310	2.0
123.08048	19.4
123.11713	6.8
125.06001	1.4
126.88107	1.1
128.06226	3.3
129.06990	3.8
130.07767	3.1
131.08549	13.9
133.06483	4.2
133.10109	8.8
135.08041	3.4
135.11679	3.1
136.05151	1.6
137.09607	33.0
139.07487	2.9
141.07031	2.9
142.07657	1.4
143.08569	5.8
143.09531	1.2
145.10095	14.0
146.10896	5.3
147.04391	4.5
147.08022	12.5
147.11674	53.0
149.09616	20.1
151.07539	8.3
155.07220	1.3
155.08595	1.6
156.09328	14.6
159.08069	4.4
159.11661	1.7
160.08766	2.6
161.05959	3.0
161.09563	3.3
161.13239	19.2
163.11159	14.3
164.04668	1.6
165.09206	1.4
165.12727	5.2
171.11674	9.2
174.10402	7.0
175.03851	3.6
179.07011	2.1
179.14288	1.7
188.08141	1.3
189.09100	2.5
189.12715	43.7
207.06476	5.6
207.13783	100.0
208.14040	2.5
220.30165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57821	1.3
52.86479	1.1
71.61184	1.4
73.04971	1.1
82.99845	1.6
91.89581	1.3
95.28125	1.2
100.02510	2.6
101.00856	14.9
101.02524	1.5
102.00914	1.9
104.20014	1.1
110.70788	1.2
119.01907	77.2
120.02016	4.2
121.01649	13.3
123.02147	1.7
124.02450	4.2
127.87736	1.3
137.02937	24.5
138.03094	3.3
139.02690	3.2
139.03712	1.2
142.03477	100.0
143.03603	5.6
144.03192	7.0
160.04532	43.1
161.02948	3.4
161.04642	4.1
162.04317	4.5
165.05103	5.6
177.00954	3.9
179.00702	5.0
183.02548	1.4
183.06206	2.1
184.04590	1.4
188.99168	6.0
189.99274	1.3
191.49400	3.5
191.99426	1.8
192.49182	1.4
200.00137	1.6
200.49945	25.7
201.00082	12.0
201.49910	5.7
209.50566	1.7
212.00591	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
57.19588	1.6
68.05016	2.1
69.50537	1.8
70.02922	2.6
71.26330	3.7
73.37046	1.5
82.01460	2.1
82.99843	1.9
84.04527	1.8
85.02917	2.0
86.00651	2.6
91.00359	1.9
96.04462	2.8
98.02438	2.8
98.97553	2.2
100.02465	2.7
100.03927	2.5
101.00878	15.8
111.10037	1.8
114.00093	7.8
114.05516	4.9
115.02370	2.2
117.02079	1.8
117.99558	3.4
118.03570	2.1
119.01918	72.8
120.01993	3.7
121.01662	5.0
124.02454	4.8
125.01907	2.0
128.03435	1.6
131.01875	3.0
132.04823	1.6
133.01636	1.6
136.01988	1.8
137.02936	21.4
139.01639	7.8
139.02597	1.9
142.03503	100.0
142.04930	5.1
143.03630	3.2
144.00003	1.9
144.01135	14.1
144.03151	2.7
146.02518	2.3
149.99716	3.5
150.96332	1.8
151.01552	2.7
153.50459	1.9
156.97472	2.8
157.03543	1.9
158.97217	10.5
160.00548	2.0
160.02199	10.1
160.04559	46.6
160.05931	4.4
160.52174	2.4
161.03021	3.8
165.01263	2.4
165.05127	6.0
168.93304	1.7
169.02695	7.7
170.48145	2.3
176.98256	11.4
181.98819	7.2
182.00342	3.0
182.99207	5.1
183.02441	16.5
183.06244	2.9
183.52553	4.6
188.00133	26.9
189.00815	4.6
191.97714	2.2
192.02962	4.5
199.99991	8.0
200.49921	5.2
201.00195	7.8
201.02426	3.0
206.01201	13.7
214.96494	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1376
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.58767	0.7
51.02365	0.9
53.03944	5.3
55.01858	1.9
55.05504	9.0
57.55032	0.8
59.04992	0.8
61.46953	0.9
65.03914	1.4
67.05497	31.7
69.07057	6.4
69.59205	7.0
71.04979	2.3
73.06537	1.7
74.26783	0.8
77.03931	1.4
79.05485	57.0
81.03393	2.1
81.07045	23.8
82.90920	0.8
83.04952	3.9
83.08595	3.8
85.02885	1.3
85.06529	2.3
91.05469	47.2
93.07030	100.0
95.04960	14.8
95.08052	0.9
95.08595	11.4
96.05273	0.8
97.06486	2.0
97.10132	1.7
98.20775	1.5
105.04471	2.6
105.07020	27.1
107.04916	1.4
107.08578	12.8
109.06503	4.0
109.10146	1.6
111.08057	1.7
113.06039	0.9
117.06983	3.7
117.11932	0.8
119.07772	1.5
119.08565	16.7
121.06476	2.7
121.10105	3.0
123.08070	5.0
127.07523	1.8
129.06972	8.7
131.08487	1.1
133.10136	6.3
134.32040	0.9
135.11636	1.4
143.08488	5.3
145.10091	8.0
147.08037	2.6
147.11668	53.3
156.09464	0.9
161.09604	5.6
161.13232	9.7
171.11668	28.7
179.14017	1.0
189.12726	12.2
207.06464	1.7
207.13773	36.1
208.14006	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0446
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
56.24160	0.2
69.35308	0.2
70.27111	0.8
80.94925	0.2
81.03384	0.3
84.08143	0.4
91.05490	0.3
97.02856	0.3
98.03180	0.4
99.95541	0.2
104.04949	0.2
105.03382	0.7
110.03263	0.2
121.02821	0.2
121.06468	0.2
129.26872	0.2
132.04445	1.9
144.10161	0.2
147.04401	0.3
150.02693	0.3
150.05493	1.6
159.82396	0.2
161.05942	0.4
162.05458	0.2
164.07059	0.5
170.09892	0.2
171.07996	0.3
176.07068	0.3
177.07814	3.1
178.04961	100.0
179.05292	1.0
188.10616	0.4
201.00650	0.2
206.04449	53.4
206.11719	9.6
207.04709	0.6
207.06476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01852	5.7
55.05490	4.8
56.96548	4.8
57.03429	10.2
59.04964	1.8
60.04491	1.7
61.02921	16.2
61.51183	1.6
66.54272	1.5
67.05475	2.0
69.03410	13.8
69.07050	1.8
69.78943	9.1
70.06553	2.9
71.01328	3.5
71.04981	3.1
72.04502	1.9
73.02912	14.2
74.06079	2.8
77.00892	2.1
79.05463	2.5
80.94961	3.1
81.03388	6.5
81.07024	2.9
83.01312	2.0
83.04965	4.8
84.04495	2.4
84.08125	4.3
85.02888	12.8
86.09691	1.8
87.04422	1.6
90.05511	2.0
91.05453	3.5
93.07015	2.4
94.02651	2.2
95.04935	2.1
95.08538	3.2
97.02872	23.8
98.20782	3.5
98.97570	3.0
99.04424	2.5
100.02447	3.2
101.00867	16.5
101.02333	2.4
102.00892	1.7
103.02416	1.9
103.03136	2.2
103.03876	2.2
105.07006	4.4
107.04935	1.8
109.02831	5.2
109.06479	1.7
112.01952	1.4
113.00858	1.9
115.02393	4.0
116.05257	1.9
118.03532	3.2
119.01907	81.3
119.04996	2.9
119.08532	2.2
120.01917	7.7
121.01614	8.6
121.04199	3.7
121.06459	3.9
121.97529	4.4
123.04389	4.4
123.08006	1.9
123.96460	1.8
124.02414	3.5
124.07615	1.6
127.03909	6.7
130.04723	2.5
131.01907	12.8
131.08487	2.7
132.01970	7.0
132.03438	2.0
133.01726	2.4
133.03400	6.9
133.10135	3.8
134.03600	3.3
136.06172	2.6
137.02921	23.5
137.05930	2.4
138.02966	2.9
139.02931	2.0
139.03908	13.0
140.05006	1.9
140.07033	6.9
141.03905	2.3
141.07422	2.2
142.03479	100.0
142.08575	2.0
143.01814	9.5
143.03537	3.4
143.08626	2.0
144.54980	1.6
145.01582	3.5
145.03374	9.0
145.05006	3.0
146.03429	2.9
146.05925	1.6
147.03140	3.5
147.04268	2.2
147.11737	1.8
147.55809	8.7
149.03036	2.0
150.02908	4.9
154.03294	2.8
155.01825	3.9
155.03603	6.6
156.05020	2.2
157.03476	8.7
157.04526	1.9
158.03494	4.5
158.96225	2.4
159.03239	1.7
159.04938	2.0
160.04520	43.4
160.09637	2.1
160.13312	5.9
160.95976	2.9
161.02936	24.1
161.04366	2.1
161.05968	2.8
162.03088	5.0
162.05371	2.8
163.02568	2.1
164.07069	3.2
164.97191	2.1
165.05157	6.3
165.96504	4.4
167.03362	3.1
167.05830	1.9
167.07042	10.8
169.03534	2.8
170.08098	3.4
171.03857	3.5
173.02939	7.2
173.04488	3.8
174.04044	1.8
175.04457	3.9
176.04836	2.5
177.07831	21.5
178.04976	25.7
179.05392	2.5
180.04463	2.6
182.98221	1.8
183.01428	2.3
183.03221	1.7
183.04959	4.5
183.06459	2.0
183.97595	5.2
184.04517	8.5
185.02872	3.6
185.05534	4.6
187.04465	2.2
188.09161	3.3
188.10716	1.9
191.03961	2.9
191.14285	3.3
194.04189	6.3
197.02907	4.7
197.04588	1.7
199.04558	2.6
201.02411	3.6
201.04195	2.6
201.05974	2.3
203.04034	3.2
204.04272	2.0
205.05537	3.3
206.04533	11.0
206.05899	1.6
206.10135	3.4
206.11745	58.1
206.13661	2.8
207.03310	2.0
215.03966	4.8
221.05040	3.1
223.06528	11.0
224.06734	4.3
225.06221	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	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03935	1.8
55.01866	0.9
55.05500	7.7
57.03408	0.8
57.07070	12.1
61.02901	0.6
65.03929	3.7
67.05492	8.2
69.03411	2.7
69.07054	15.4
69.69831	0.6
71.08605	1.0
72.93776	7.7
79.05482	11.1
81.03415	0.8
81.07047	47.0
83.04983	1.0
83.08621	6.4
85.02891	2.5
87.04433	0.7
88.02195	1.2
90.94808	2.7
91.05451	5.2
92.41219	0.7
93.03387	1.0
93.07028	42.9
95.04939	1.4
95.08595	28.6
97.02883	7.4
97.10162	5.5
98.21526	1.4
99.04436	1.2
105.07008	5.6
107.08578	30.5
108.08958	0.8
108.95815	0.6
109.02876	4.4
109.06500	0.9
109.10139	24.6
111.04397	1.7
111.11700	2.7
113.96386	16.6
116.05274	0.8
117.07006	0.8
119.08548	3.2
121.02850	7.9
121.03899	1.3
121.06506	3.3
121.10124	100.0
122.10451	2.5
123.11690	10.6
127.03865	1.5
127.05863	0.8
130.07814	0.6
131.08517	1.4
131.97420	21.0
133.10123	1.0
135.08060	0.7
135.11676	19.9
137.13210	1.2
145.10117	2.7
147.07961	0.7
147.11667	2.2
149.02321	81.9
149.13237	40.6
150.02660	2.7
150.13550	1.6
154.99013	9.7
159.08003	0.7
159.11658	1.9
162.10323	0.8
163.11156	2.1
163.14760	4.7
167.03398	1.6
177.12691	3.9
187.14822	1.7
188.07068	0.8
190.04944	1.9
205.06712	1.8
205.08713	1.7
205.12254	8.9
205.14119	2.2
205.15822	4.3
205.19492	31.4
206.07942	0.8
206.19846	1.4
229.39287	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03919	0.7
55.05505	3.1
57.03411	0.4
57.07067	10.5
59.88336	0.3
60.04526	0.4
61.02907	0.4
65.03925	3.4
67.05494	2.8
68.77176	0.3
69.03416	1.1
69.07057	4.9
71.90989	0.3
71.93008	0.3
72.83703	0.3
72.93778	4.7
77.03886	0.3
79.05476	3.6
81.03418	1.5
81.07043	16.6
83.04953	0.3
83.08604	2.4
85.02882	2.0
85.06478	0.4
90.94820	1.8
91.05468	2.7
93.03393	1.9
93.07029	16.0
95.04954	0.4
95.08041	0.6
95.08596	8.1
97.02884	4.5
97.10146	1.6
98.21481	1.2
99.04441	0.9
105.07021	3.1
107.08582	9.8
109.02863	2.8
109.06499	0.5
109.10139	6.3
111.04427	1.4
111.11711	0.7
113.96382	7.8
116.05259	0.5
117.07050	0.5
119.08574	1.9
121.02847	9.9
121.03951	1.6
121.06489	2.1
121.10124	38.5
122.03236	0.3
122.10451	0.8
123.08039	0.5
123.11693	3.9
127.03905	1.3
127.05847	0.6
131.08453	0.6
131.97420	12.1
132.22099	0.3
132.97466	0.4
133.10080	0.3
135.08041	0.8
135.11671	6.1
145.06490	0.4
145.10118	1.4
147.11655	1.2
149.02319	100.0
149.13232	14.3
150.02658	4.4
154.99014	5.3
155.00183	0.6
159.08008	0.4
159.11665	0.7
161.13373	0.4
162.10323	0.5
163.11127	1.1
163.14796	1.3
167.03424	2.2
177.12703	2.4
177.16451	0.5
178.82205	0.3
181.97760	0.4
187.11165	0.7
187.14890	0.7
190.04980	2.0
191.14326	2.7
205.04956	0.4
205.06783	1.1
205.08687	0.7
205.12222	5.1
205.14153	1.7
205.15794	1.8
205.19499	9.1
229.74834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03944	0.5
55.05508	4.1
57.06860	0.4
57.07069	3.9
60.94305	0.4
66.28094	0.4
67.05491	5.4
69.03405	1.0
69.07058	4.6
77.85390	0.4
79.05477	5.6
81.03406	1.1
81.07044	24.2
83.08606	1.6
85.02890	0.6
91.05473	3.1
93.07024	17.3
94.39468	0.4
95.04970	1.6
95.08588	11.6
97.02875	3.2
97.10167	1.4
100.21881	0.5
105.07024	2.1
107.04932	1.3
107.08576	18.1
108.08884	0.5
109.02870	0.9
109.10143	11.0
110.20047	0.4
115.05455	0.7
117.06992	1.2
119.08566	1.2
121.02864	1.3
121.06479	1.7
121.10108	6.6
121.92200	0.5
123.11684	100.0
124.12012	1.7
131.08539	1.2
133.10132	0.6
135.11668	53.0
136.11969	1.1
145.06442	1.3
145.10089	1.9
147.07980	0.5
147.11638	1.0
149.02325	10.2
149.05939	0.6
149.09535	0.6
149.13231	13.2
159.11641	1.5
161.09596	0.6
163.03857	1.6
163.07474	0.5
163.11189	0.6
163.14790	1.1
173.05942	0.9
177.12692	1.1
181.97906	0.8
187.11160	0.8
187.14790	0.8
205.06821	0.9
205.08646	2.3
205.12206	4.9
205.14098	1.1
205.15805	2.3
205.19502	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	205.1583
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03923	1.4
55.01858	1.8
55.05489	5.8
57.03413	2.7
57.06821	1.3
57.07067	18.4
60.04490	3.1
61.02912	1.4
65.03915	5.0
67.05499	12.9
69.03417	5.1
69.07059	13.4
71.04975	2.2
72.93783	2.4
79.05494	7.3
81.03391	7.0
81.07047	55.8
83.04970	20.1
83.08589	4.3
85.02886	10.4
87.04456	1.6
91.05462	14.4
93.03360	2.3
93.07033	20.2
94.03222	1.2
95.04935	4.8
95.08594	32.2
97.02876	25.7
97.10172	2.2
98.20635	2.6
99.04431	4.1
105.07018	48.3
106.97731	1.5
107.04922	3.6
107.08586	23.5
109.02861	14.9
109.06490	2.3
109.10149	9.9
111.04446	1.7
113.96363	4.5
114.38299	1.3
116.06212	1.4
117.06989	9.7
119.08562	39.5
121.02824	9.9
121.03654	1.4
121.04005	1.5
121.06508	13.3
121.10127	23.5
123.08025	1.6
123.11690	53.9
127.03902	6.7
127.05808	1.6
129.06934	3.3
129.63982	1.2
130.07758	4.8
131.08548	29.6
131.97386	4.9
133.10118	28.2
135.08028	7.2
135.11655	7.6
139.03882	2.0
143.08539	5.0
144.09282	3.3
145.04938	1.5
145.06418	2.6
145.10104	61.5
147.11653	19.2
149.02321	100.0
149.09560	4.5
149.13210	6.1
150.02686	1.9
154.98950	1.5
158.10854	2.2
159.08055	2.1
159.11656	16.7
161.13222	5.3
162.10323	3.3
163.11130	8.8
167.03351	1.5
172.12444	2.2
173.13237	23.1
175.14801	48.9
177.12730	17.4
177.16344	14.9
181.97794	1.8
187.11154	4.6
187.14792	40.1
188.15132	1.6
190.04890	1.8
190.09879	2.4
190.11691	1.5
205.05008	2.7
205.06795	6.2
205.08743	5.0
205.12268	32.8
205.14200	6.7
205.15843	89.1
205.19449	3.9
206.15703	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05508	4.1
57.06860	0.4
57.07069	3.9
60.94305	0.4
66.28094	0.4
67.05491	5.4
69.03405	1.0
69.07058	4.6
77.85390	0.4
79.05477	5.6
81.03406	1.1
81.07044	24.2
83.08606	1.6
85.02890	0.6
91.05473	3.1
93.07024	17.3
94.39468	0.4
95.04970	1.6
95.08588	11.6
97.02875	3.2
97.10167	1.4
100.21881	0.5
105.07024	2.1
107.04932	1.3
107.08576	18.1
108.08884	0.5
109.02870	0.9
109.10143	11.0
110.20047	0.4
115.05455	0.7
117.06992	1.2
119.08566	1.2
121.02864	1.3
121.06479	1.7
121.10108	6.6
121.92200	0.5
123.11684	100.0
124.12012	1.7
131.08539	1.2
133.10132	0.6
135.11668	53.0
136.11969	1.1
145.06442	1.3
145.10089	1.9
147.07980	0.5
147.11638	1.0
149.02325	10.2
149.05939	0.6
149.09535	0.6
149.13231	13.2
159.11641	1.5
161.09596	0.6
163.03857	1.6
163.07474	0.5
163.11189	0.6
163.14790	1.1
173.05942	0.9
177.12692	1.1
181.97906	0.8
187.11160	0.8
187.14790	0.8
205.06821	0.9
205.08646	2.3
205.12206	4.9
205.14098	1.1
205.15805	2.3
205.19502	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	205.1584
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.01851	1.9
55.05498	12.9
55.68030	1.5
57.07069	11.1
65.03920	2.0
67.05492	7.5
67.88709	1.3
69.03409	4.8
69.07056	31.0
69.18399	1.6
69.39912	10.4
69.40335	4.6
72.93755	5.3
79.05475	12.6
81.03394	2.1
81.07050	15.8
83.04960	4.6
83.08604	12.3
85.02879	7.1
85.14599	1.5
91.05459	16.1
93.07031	32.4
95.04940	2.9
95.08590	39.3
97.02866	11.5
97.10164	1.7
105.07013	25.8
107.08581	76.2
109.02875	8.6
109.06499	3.2
109.10122	14.4
113.96397	11.4
116.05293	2.0
117.07004	12.2
119.08567	45.5
121.02863	3.5
121.06515	8.8
121.10128	80.4
121.11008	4.2
123.08008	2.9
123.11675	3.4
127.03908	3.2
129.06993	1.8
130.07730	3.7
131.08543	22.4
131.97398	12.0
133.10123	34.9
135.08026	5.8
135.11652	20.5
137.09492	1.6
143.08516	4.9
145.10103	47.4
145.11255	2.4
147.11673	10.5
147.45987	1.8
149.02328	47.0
149.09605	6.7
149.13243	16.3
154.99025	3.2
157.10072	5.4
158.10864	5.3
159.11671	22.3
161.13232	6.8
162.10379	3.0
163.11162	60.2
163.14780	6.2
172.12419	5.6
174.14026	3.3
175.14803	69.0
177.12749	6.1
177.16367	49.6
183.47182	1.7
187.14790	49.3
197.66051	1.5
205.04727	2.2
205.06795	2.8
205.08728	3.7
205.12346	17.8
205.14291	4.4
205.15840	100.0
205.19565	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1583
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05503	8.8
57.03423	1.6
57.06812	1.4
57.07069	13.5
59.04982	1.6
60.04506	2.5
65.03925	2.2
65.30329	1.2
65.98969	1.1
67.05489	12.6
69.03403	5.7
69.07068	11.5
71.04975	3.1
71.62865	2.2
72.93754	3.1
75.53586	1.5
79.05493	9.6
81.03397	4.9
81.06571	1.9
81.07047	33.0
83.04975	7.2
83.08590	4.5
84.04449	1.2
85.02882	7.7
85.04789	1.3
87.04444	2.5
90.94804	2.4
91.05463	15.9
93.07028	25.7
95.04939	5.3
95.05482	1.3
95.08592	31.9
95.76120	1.7
97.02876	21.3
97.06498	3.6
97.10135	1.6
98.07651	1.4
99.04454	3.9
105.07014	37.2
107.08580	36.3
109.02862	11.7
109.06495	4.2
109.09012	1.3
109.10155	12.8
111.04418	2.0
111.08044	7.2
113.96381	6.0
116.05294	1.8
117.07004	8.8
119.08567	37.3
119.97947	2.0
121.02869	9.0
121.06495	12.7
121.09306	2.1
121.10128	32.2
123.08025	5.1
123.11683	16.0
127.03883	4.9
127.05807	2.6
129.07002	2.8
130.07753	2.9
131.08556	17.3
131.35391	1.5
131.97423	7.1
133.10112	16.5
135.08029	6.8
135.11662	11.7
137.09596	3.4
139.03897	1.7
143.08531	2.4
144.09332	2.1
145.04863	1.5
145.06534	1.8
145.10107	46.4
147.08011	2.6
147.11674	44.4
149.02325	84.6
149.05957	2.3
149.09613	6.4
149.13261	13.3
150.02650	1.5
154.98993	3.4
158.10883	2.5
159.11696	12.0
161.13194	5.5
162.10425	3.3
163.11189	11.2
163.14777	4.9
167.03340	2.2
172.12413	2.0
173.13281	10.0
175.14792	18.7
177.12729	12.3
177.16373	20.1
181.97853	2.4
187.11182	2.8
187.14781	32.3
188.15048	1.6
190.04823	1.3
190.09950	2.3
205.04974	2.8
205.06804	3.5
205.08670	2.7
205.12292	26.0
205.14186	6.9
205.15842	100.0
205.19199	7.4
206.16235	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1583
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05490	7.4
57.07051	7.3
67.05490	12.4
69.07065	12.7
71.06271	5.0
79.05463	8.2
80.51148	1.9
81.06571	3.8
81.07043	64.2
81.57112	1.9
83.04960	27.6
83.08582	4.4
91.05461	13.8
93.07027	18.5
95.08593	35.2
97.02877	6.0
97.10142	1.8
105.07016	56.4
107.08578	29.0
108.29264	1.8
109.06458	3.3
109.10129	5.9
117.06979	7.9
119.08560	43.3
121.06506	2.5
121.10129	19.9
123.11687	64.5
127.39396	1.8
128.06154	1.8
130.07834	2.6
131.08543	31.1
132.09166	2.2
133.10106	34.3
135.08023	2.4
135.11691	5.3
143.08522	5.2
145.10097	65.7
147.11673	20.9
149.02325	16.4
149.13228	4.7
157.09972	2.3
158.10896	4.1
159.11684	10.8
160.12361	2.7
161.13245	4.5
173.13239	34.8
174.88930	1.9
175.14793	68.5
177.12766	3.3
177.16347	17.2
187.14775	49.7
205.12184	4.9
205.15839	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1583
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05482	2.2
57.07069	2.3
58.93213	0.4
59.04976	1.2
62.59438	0.5
65.03922	0.9
67.05496	2.8
69.03376	0.7
69.07045	1.3
71.04591	1.1
71.04977	19.8
71.62701	0.6
72.93762	0.6
77.16779	0.4
79.05463	2.1
79.17786	0.5
80.87060	0.5
81.03379	0.4
81.06570	0.8
81.07037	11.0
83.04963	0.6
85.02916	1.2
85.06486	0.5
91.05463	6.0
93.07030	9.8
95.04935	4.1
95.08589	17.4
97.02876	3.9
97.06519	3.0
99.08052	1.9
103.05436	0.5
105.07011	32.8
106.07241	0.5
107.08576	9.4
109.02837	2.2
109.06519	4.5
109.10140	3.0
111.08054	4.0
113.09627	17.4
113.96388	0.6
116.05287	1.0
116.06071	0.5
117.06987	1.9
118.06582	0.6
119.08554	11.9
121.02810	1.4
121.06462	1.5
121.09298	0.8
121.10118	10.7
123.08036	1.4
123.11653	0.9
125.71838	0.5
127.03851	0.7
129.06931	0.5
130.07735	0.8
131.08553	12.4
131.97401	1.2
133.10097	1.9
135.08037	1.1
135.11693	2.4
137.09569	0.6
145.10094	21.6
146.10481	0.5
147.11664	30.1
149.02316	13.7
149.09586	2.0
149.13225	0.8
159.11659	5.4
161.13208	6.7
163.11127	1.7
163.14813	3.9
177.12720	5.5
177.16328	1.0
186.48181	0.5
187.14793	30.6
197.10782	0.6
205.12151	3.9
205.15836	100.0
206.16191	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.122
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03932	3.5
55.01857	2.1
55.05496	2.9
57.03407	0.9
57.07073	0.8
66.54796	0.7
67.05486	1.7
68.99783	1.0
69.03415	10.0
69.07041	2.1
71.04985	2.5
71.40969	1.6
77.03904	1.0
79.05468	3.6
81.03410	2.9
81.07033	6.3
83.04974	3.9
85.02865	1.2
85.06539	1.7
87.17713	0.7
91.05460	20.4
91.06001	1.2
93.07025	36.5
95.04955	4.9
95.08575	1.5
97.02873	9.4
98.97585	0.7
99.04446	2.0
103.05457	1.7
105.04482	0.9
105.07008	10.1
107.04935	0.7
107.08582	7.1
109.02865	7.3
109.06509	1.5
109.10113	1.5
115.05433	0.7
117.06992	5.3
119.08565	8.9
121.06480	100.0
121.10111	7.1
122.06823	1.0
123.08026	2.1
123.11710	1.2
127.03898	1.6
129.06973	1.9
130.07780	1.5
131.05009	0.8
131.08549	5.3
133.10100	3.3
134.01132	0.6
135.08023	6.8
135.11710	4.1
137.05957	0.7
143.08609	1.2
144.09314	4.0
145.06471	1.2
145.10097	11.4
147.07993	3.1
149.02309	3.6
149.04759	0.8
149.05954	16.7
149.09589	1.9
149.13245	0.7
151.07536	1.2
151.11166	0.8
154.07819	0.7
157.10072	0.9
158.07300	0.8
159.08055	1.4
159.11656	16.1
161.09554	3.9
162.10422	0.7
163.07458	1.1
163.11150	11.7
169.10152	1.2
169.12178	1.3
171.84148	0.6
172.08792	4.0
175.11147	2.1
177.12718	6.6
181.52312	0.6
183.86482	0.6
187.11165	7.6
191.22392	0.6
205.12199	63.8
206.12476	1.9
215.87688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63042	0.6
57.03422	1.2
61.02901	1.0
69.03403	1.9
70.30359	2.7
73.02882	2.1
84.04459	0.8
85.02884	1.6
94.01275	0.9
97.02847	1.8
101.00858	1.4
112.02697	0.7
119.01885	2.8
121.04272	0.8
124.02901	0.8
127.03830	0.7
129.45784	0.7
145.03426	1.6
157.01630	0.9
161.02898	0.8
163.02710	0.8
175.02742	1.7
180.96553	0.7
184.05733	1.8
193.05495	0.9
205.06821	100.0
205.55611	1.1
206.10237	1.9
214.96298	0.6
223.06691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01860	6.1
55.05502	1.6
56.36455	0.6
56.79799	0.6
57.03418	3.0
57.07059	2.6
57.88337	0.7
58.56797	0.7
60.04497	0.7
61.02909	1.2
67.05492	1.1
69.03423	9.2
69.07056	1.7
69.52164	0.8
71.01334	1.0
71.04984	4.8
71.17862	1.6
72.39117	0.7
73.02911	3.2
79.05477	2.4
81.03406	20.4
81.07040	5.6
83.04971	2.1
85.02897	9.8
91.05448	6.1
93.07034	9.9
95.04961	2.8
95.08562	0.8
97.02875	65.3
99.03817	1.4
99.04439	18.4
103.05422	1.2
105.07014	3.2
107.04945	0.9
107.08575	4.1
109.02859	100.0
109.06499	1.3
109.10137	1.2
110.03155	1.4
115.05438	1.3
117.05516	0.8
117.07027	3.7
119.08532	4.1
119.97890	0.8
121.02857	1.9
121.06483	27.3
121.10114	2.1
123.11702	1.3
125.05939	0.8
127.03883	13.4
129.06950	1.4
130.07780	0.9
131.04964	0.9
131.08534	2.5
133.06459	1.2
133.10112	2.2
135.08029	2.9
135.11694	1.6
139.03862	2.7
139.11105	0.8
144.09303	1.4
145.04938	6.0
145.06429	2.2
145.09105	1.0
145.10104	5.5
146.05965	0.9
147.08035	2.3
149.02318	15.9
149.05959	10.4
151.07620	1.0
151.11154	1.1
159.08002	1.3
159.11646	6.3
161.09549	1.7
163.07481	1.0
163.11188	5.2
164.75354	0.8
172.08841	1.3
173.01909	0.7
175.11113	2.0
177.12704	4.8
187.11145	4.0
188.07034	1.1
205.04988	1.4
205.06860	2.4
205.08665	2.5
205.12204	26.7
205.13914	1.2
205.15714	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.47305	0.6
54.08355	0.7
55.05280	0.8
55.05506	7.4
57.07059	1.3
58.92059	0.7
60.04516	1.4
67.05495	10.2
69.07059	10.0
71.62614	0.7
71.63087	1.1
79.05492	5.3
80.41560	0.8
81.07050	12.0
83.08586	3.9
84.04504	0.9
91.05470	11.3
93.07040	8.6
95.08598	36.0
96.04485	1.5
97.02856	1.0
97.10110	1.2
98.34997	0.6
105.07018	29.1
107.08587	19.6
109.10148	23.9
109.10908	1.1
109.68980	0.7
111.96874	1.1
114.05521	2.0
117.07002	1.7
119.08569	46.9
121.10129	12.0
121.10925	1.4
123.11685	3.3
126.05511	2.9
128.06085	0.8
129.07013	0.8
129.97841	1.3
131.08543	3.3
133.10115	54.1
135.11668	3.3
138.05434	0.7
145.10104	4.8
147.11668	42.6
157.10103	1.1
159.11674	4.8
160.12442	2.6
161.13245	17.2
174.13986	2.1
174.37209	0.7
175.14798	7.1
179.97760	0.9
186.07620	0.8
199.01971	0.7
203.14227	2.3
203.17934	100.0
204.08633	2.3
204.13800	3.1
204.18268	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05500	8.0
57.07071	5.0
60.04511	2.4
67.05494	14.4
69.07056	15.0
69.34449	0.7
70.78368	2.2
79.05483	6.1
81.07045	23.1
83.08623	5.6
84.04491	1.1
86.11333	0.7
91.05466	14.5
93.07027	14.4
95.08593	40.2
96.04486	1.0
97.02872	2.0
105.07015	90.4
106.07342	0.9
107.08578	19.0
109.10145	25.3
114.05460	1.0
117.07012	0.8
119.08562	54.6
121.10121	13.6
123.11697	5.9
126.05508	2.1
129.06973	0.9
131.08537	4.6
133.06552	0.9
133.10114	56.9
134.10484	0.9
135.11661	3.6
138.05493	0.8
145.10101	6.1
147.11665	71.4
148.12027	1.1
157.10080	2.3
159.11665	4.3
160.12434	1.7
161.09550	1.0
161.13235	27.4
162.07587	0.7
168.06465	0.9
173.13281	1.1
174.13951	1.6
175.14804	10.9
185.13258	1.1
186.07527	1.0
203.10663	2.3
203.14307	5.4
203.17929	100.0
204.08577	2.1
204.13818	3.4
204.18294	2.0
211.99040	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
52.58168	0.6
53.03926	1.1
55.05502	6.7
57.07066	13.8
58.65952	0.6
60.04507	2.2
67.05496	8.9
68.05003	1.4
69.07063	8.9
71.62460	0.6
76.61605	0.7
79.05472	3.2
81.07044	9.1
83.08609	4.5
84.04483	2.3
85.02837	0.6
91.05466	10.5
93.07036	7.2
95.08593	26.9
96.04474	2.2
97.02875	1.8
97.10154	1.6
103.05433	0.6
105.07018	36.1
106.07305	0.8
107.08582	16.5
109.06436	0.7
109.10145	20.0
114.05480	2.0
117.06993	2.0
119.08563	55.0
120.96515	1.5
121.10126	10.0
123.11690	2.7
126.05502	3.3
129.06990	1.2
131.08539	4.0
133.10112	55.5
135.08047	0.8
135.11673	3.4
138.05486	1.1
142.07712	0.8
143.08525	2.3
145.10107	7.5
147.11667	74.6
148.12071	1.1
157.10101	2.4
159.11688	4.0
160.12440	3.5
161.09581	1.1
161.13235	39.4
170.25772	0.6
173.13272	1.9
174.14005	1.5
175.14835	6.0
179.97858	1.3
182.85086	0.6
185.13216	1.6
186.07637	0.8
188.15576	1.0
203.10689	3.3
203.14449	6.4
203.17929	100.0
204.08609	3.8
204.13712	4.1
204.18257	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	202.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61621	0.8
67.93538	1.0
82.99845	1.2
97.62806	1.0
98.49002	1.0
100.02457	2.4
101.00862	15.6
114.23386	1.1
118.03532	2.2
119.01904	100.0
120.01999	1.8
124.02457	3.6
137.02928	36.9
142.03481	40.5
142.04599	2.2
143.03722	1.3
152.01929	1.0
160.04529	19.2
160.05753	1.5
161.02925	21.5
161.04315	1.5
177.00809	1.3
179.03987	54.0
180.04114	1.5
184.04485	1.4
197.99146	2.2
199.50040	3.9
200.00092	1.7
202.05588	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1791
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03939	0.8
55.05501	4.7
57.06819	1.0
57.07066	13.1
58.80104	0.6
59.53295	0.6
60.04499	2.0
60.12508	0.6
61.92857	0.6
65.03903	0.7
67.05485	6.6
67.45470	0.6
68.05013	1.2
69.07062	8.2
69.38564	2.9
69.38995	3.4
79.05467	3.4
81.03400	0.9
81.07037	8.6
83.08615	3.4
84.04459	1.6
91.05455	7.9
93.07022	6.4
95.08594	22.3
96.04446	1.8
97.02850	1.6
97.10152	1.2
105.07017	31.8
107.08575	12.6
109.06524	1.0
109.10143	18.1
111.96835	0.9
112.68385	0.7
114.05490	2.7
117.06996	2.2
118.07850	0.7
119.08562	48.3
120.08923	1.4
120.96498	1.1
121.10132	10.9
123.11675	3.0
126.05489	2.9
129.06982	0.9
129.97887	1.7
131.08557	2.7
133.10107	47.0
135.11679	3.3
142.07777	0.8
143.08507	0.9
144.06520	0.8
145.10083	7.3
146.10864	0.9
147.11664	77.9
148.11935	0.8
159.11659	3.8
160.12462	3.3
161.09663	1.3
161.13235	40.6
168.06540	0.7
173.13266	2.1
175.14838	6.2
185.09677	0.7
185.13141	1.3
188.15710	0.9
203.10651	2.7
203.14221	4.0
203.17926	100.0
204.08598	3.3
204.13820	2.7
204.18236	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	201.1633
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
54.05637	0.3
55.05257	0.3
55.05500	1.6
55.26076	0.3
57.07062	2.2
66.34784	0.3
67.05497	3.1
69.07051	2.7
70.43125	0.8
70.43524	0.7
71.04947	0.4
71.08620	0.6
76.93369	0.3
79.05481	2.2
81.07049	5.5
83.08606	0.5
91.05466	4.9
93.07028	5.8
95.04926	0.5
95.08595	7.9
105.07017	9.0
107.08578	8.0
109.10144	2.4
114.95611	0.6
115.05413	0.7
116.06201	0.7
117.07001	5.6
118.96735	3.2
119.08564	8.1
120.08878	0.4
121.10115	2.8
128.06178	0.3
129.06963	2.4
129.45654	0.3
130.07762	2.2
131.08551	27.7
132.08849	0.4
132.96638	0.8
133.10117	6.5
133.99071	0.5
137.09721	0.4
142.07761	0.6
143.08514	2.8
144.09344	3.1
145.10103	35.7
146.10756	1.1
147.11658	0.9
149.22536	0.3
154.96458	1.3
155.08482	0.5
157.10104	6.2
158.10860	1.6
159.11671	41.0
160.12021	0.9
171.11687	2.7
172.12402	3.3
173.13242	11.7
177.98022	2.5
183.11636	0.4
186.14009	3.8
199.14920	0.6
201.12636	2.9
201.16354	100.0
202.16663	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55580	0.8
70.60114	2.6
71.18791	0.7
78.33677	0.7
82.99843	1.1
86.00239	0.8
101.00864	17.3
118.03492	2.1
119.01905	100.0
120.02024	2.6
124.02429	2.1
137.02940	38.8
142.03481	36.6
160.04538	17.5
161.02931	22.0
165.05034	1.4
178.05634	0.8
179.03984	53.5
180.04147	1.0
184.04529	1.2
202.05615	3.6
220.02087	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0961
Annotation	1-(3,4-Dimethoxyphenyl)ethane-1,2-diol
Peak:m/z	Relative Intensity
50.69868	0.3
51.37976	0.3
53.03929	0.8
55.01857	0.3
55.05506	1.5
57.03430	0.5
57.07062	0.5
61.91098	0.3
64.77356	0.3
65.03926	1.0
67.05475	1.2
69.03418	0.5
69.07059	2.4
70.07402	0.3
71.04950	0.7
71.62644	0.5
72.04483	0.4
72.08144	0.5
74.09695	2.2
78.04690	1.5
79.05479	1.8
79.59908	0.3
81.03403	2.6
81.07034	1.8
83.04969	0.6
83.08590	0.6
85.06523	0.5
91.05467	2.9
92.06232	0.8
93.03384	4.4
93.07009	2.0
95.04955	6.2
95.08580	0.9
97.02887	0.3
97.06502	0.6
97.10186	0.6
100.07578	0.8
105.03368	2.1
105.06998	0.5
106.04170	3.2
107.03831	0.3
107.04935	1.6
107.08566	1.3
109.02860	6.2
109.06491	2.8
109.10155	0.4
111.04413	2.4
111.08060	1.0
111.11681	0.8
113.05985	0.8
116.97214	1.9
119.04931	1.2
119.08521	0.5
120.05703	2.2
121.06471	1.2
121.10107	2.5
122.03675	0.3
122.91647	0.3
123.04408	13.8
123.08051	0.6
124.05211	1.0
125.05960	3.6
125.09621	0.3
126.03109	1.1
127.07524	0.4
128.06165	0.3
131.04883	0.4
131.99539	0.6
133.02821	2.5
134.03636	3.0
135.04337	0.4
135.08029	1.0
135.11678	0.8
136.05179	0.6
137.02332	1.7
137.05963	4.4
138.06738	3.7
139.03879	3.9
139.07463	0.7
139.11090	0.5
140.04680	1.9
141.05440	7.5
142.07713	0.3
143.08563	0.9
145.10056	1.1
147.04393	1.7
148.05159	5.4
149.05917	0.6
151.03880	4.3
152.04665	3.4
152.96907	0.4
153.05437	4.8
153.09044	0.4
154.06224	29.0
155.07008	11.7
156.09308	0.3
157.10106	0.8
160.55898	0.3
163.11133	2.1
165.05475	0.9
166.06229	4.3
167.03438	0.6
167.07033	4.9
169.04936	5.0
169.07237	0.6
169.08577	7.7
171.11642	0.3
175.98535	2.1
178.67230	0.3
181.08575	21.9
181.12091	1.9
183.06519	3.3
184.07277	100.0
185.07631	1.3
188.57848	0.3
199.09676	0.7
199.11218	0.4
199.13321	0.5
199.14813	1.6
199.18887	9.7
210.50951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0961
Annotation	Stagonolide D
Peak:m/z	Relative Intensity
53.03851	2.3
55.01789	1.2
55.05415	1.7
55.05690	0.9
57.03345	0.7
57.93485	0.7
60.27301	0.5
62.46536	0.4
65.03838	1.8
65.04137	0.5
67.05429	1.3
67.05759	0.6
69.03331	0.6
69.06963	3.7
69.85944	2.7
71.04910	0.8
74.09608	4.0
74.10052	1.0
75.94508	0.7
77.03838	0.6
79.05373	1.8
79.05795	0.5
81.03352	0.7
81.06972	1.1
83.04875	1.4
83.08531	1.1
85.02840	0.5
86.09615	0.6
91.05466	25.4
91.05988	1.7
92.06168	0.9
93.03342	0.8
93.07026	21.6
93.07561	1.1
95.04951	6.8
97.06422	1.7
98.97501	0.7
100.07543	0.8
101.93673	0.4
103.05449	12.5
103.28915	0.5
105.04394	1.6
105.06966	1.2
107.04860	1.4
107.08513	1.8
109.06443	0.8
109.10075	1.1
110.03607	0.6
111.04336	2.2
111.11597	1.4
115.05373	0.7
116.97209	7.3
116.98508	1.2
119.04928	4.2
119.08493	0.7
119.57375	0.5
120.05704	4.0
121.06485	29.2
121.10064	0.8
123.04407	4.0
125.05961	3.7
125.09542	0.6
131.04936	0.9
131.05876	0.7
131.99464	1.6
133.02765	2.3
135.08000	1.3
136.05170	0.6
137.05942	3.0
137.09538	0.7
138.06737	3.4
139.03836	0.7
139.07460	1.8
140.04651	5.0
147.04335	2.1
148.05177	3.7
149.05952	7.7
151.03893	4.0
152.96899	2.8
153.09079	1.2
155.06996	1.2
157.07365	0.6
157.97476	0.6
163.07478	1.0
163.11131	1.7
166.06230	18.0
167.07039	0.7
170.97961	0.6
175.98491	7.9
181.08565	100.0
182.08112	0.9
182.08868	0.8
199.08504	0.7
199.09764	0.9
199.11255	0.7
199.18855	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	199.0961
Annotation	3,4,5-Trimethoxybenzyl alcohol
Peak:m/z	Relative Intensity
53.03935	3.1
55.01851	1.8
55.05497	2.5
57.03417	1.1
57.07053	1.1
57.93557	1.2
62.96896	0.5
65.03918	2.0
67.05498	2.7
68.99751	0.6
69.03407	0.9
69.07059	5.6
70.97042	1.2
71.04977	1.0
72.04495	0.5
74.09706	5.3
75.94599	1.0
77.03920	0.6
79.05492	3.0
81.03384	1.0
81.07041	2.6
83.04949	2.0
83.08589	1.6
84.08901	0.4
86.09689	0.9
87.04453	0.7
88.96208	0.4
91.05465	26.2
92.06259	0.8
93.03387	0.7
93.07028	24.0
95.04948	8.7
95.08571	1.2
97.02871	0.5
97.06516	2.5
97.10143	0.6
98.97553	1.1
100.07594	1.9
100.11195	0.5
102.19863	0.5
103.05448	13.8
105.03328	0.6
105.04485	1.2
105.07033	0.8
107.04927	1.1
107.08558	2.1
108.05682	0.5
109.06485	1.4
109.10149	0.8
110.03638	1.5
111.04430	4.0
111.08044	1.4
111.11677	2.1
116.97202	11.1
116.98520	1.0
119.04922	4.6
119.08541	0.6
120.05702	4.2
121.02891	0.6
121.06486	31.8
121.10126	0.6
123.04410	4.0
123.08018	1.4
124.05215	0.8
125.02283	0.7
125.05969	5.4
125.09612	1.0
131.04886	1.1
131.99535	3.3
133.02832	2.6
134.95821	1.3
134.99684	0.8
135.04366	0.7
135.08044	2.1
135.11681	0.6
136.05136	0.8
136.07536	0.5
137.05946	2.8
137.09557	0.5
138.06723	2.4
139.03883	16.0
139.07535	3.7
140.04675	4.8
143.08517	1.0
147.04407	1.4
148.05151	2.9
148.96190	1.7
149.05959	8.0
151.03894	5.2
152.96887	4.2
153.04358	0.7
153.05472	0.7
153.09065	1.3
155.06999	1.6
157.97456	0.7
163.07477	0.8
163.11157	1.1
166.06229	18.0
166.45369	0.5
167.03389	4.1
167.07010	8.0
170.98058	0.6
175.98486	12.1
181.08560	100.0
182.08109	0.9
182.08771	0.8
183.07834	0.5
188.14464	0.4
193.99574	0.6
199.03775	0.5
199.07463	0.6
199.09579	2.7
199.11203	0.8
199.14806	0.8
199.18869	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	198.985
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07867	0.4
69.03413	0.9
69.86179	0.8
69.86584	1.9
83.01453	0.6
100.02464	1.6
101.00857	0.8
101.02518	4.3
102.02152	0.5
102.94315	0.5
103.02421	1.5
103.52428	0.5
104.02496	3.1
118.03506	1.1
119.01898	5.2
119.03591	3.3
120.01955	0.6
120.95387	0.7
121.03480	1.2
122.03526	2.8
123.03191	0.5
123.31271	0.4
127.04070	0.7
129.00008	0.6
131.01897	1.1
132.01944	1.0
133.51422	1.0
134.99745	0.7
137.02916	2.0
138.96371	3.2
145.05148	2.0
147.01378	1.1
148.01488	2.6
149.02885	0.9
150.03001	0.8
151.51450	0.5
152.50641	0.5
153.06566	1.7
155.00392	0.6
155.03601	0.6
156.97452	59.2
157.97534	1.8
159.00179	0.7
161.51259	0.7
162.01027	0.7
170.02896	0.5
171.03134	7.6
172.99011	0.6
173.04611	0.7
174.98511	100.0
175.49008	0.6
175.50963	0.6
175.98636	3.2
176.00742	0.7
176.03908	0.4
176.05853	0.9
176.99045	0.5
179.99077	1.7
180.97528	0.7
180.99237	0.7
188.00491	0.8
196.52917	2.7
197.01071	0.5
197.03073	0.6
198.00209	2.2
198.18437	0.9
198.98503	13.8
199.00192	1.4
199.07146	0.9
214.96527	0.5
216.99559	51.7
217.99741	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03896	0.8
55.01849	3.1
55.05491	4.9
56.96544	1.6
57.03422	8.7
57.07051	3.2
57.53664	0.7
58.06593	0.9
58.99838	5.4
60.08153	13.7
61.02636	1.3
61.02915	17.1
67.05473	1.8
67.06821	0.7
68.05008	2.6
69.03415	11.7
69.07037	4.9
70.06573	5.3
70.99834	1.5
71.01325	1.3
71.08626	1.7
71.61153	0.8
72.04527	0.8
73.02904	9.2
77.00870	5.0
79.05469	1.5
81.03392	2.9
81.07030	1.2
82.01427	12.0
82.99884	0.7
83.04971	1.4
83.08584	3.6
85.01383	8.8
85.02885	11.9
86.03136	0.8
86.99274	0.9
89.00861	1.2
90.02395	1.3
91.05426	1.1
93.07048	1.4
94.02647	5.2
95.03479	0.8
95.06072	55.8
95.08583	0.9
97.02842	5.7
97.06503	0.9
97.10133	1.9
98.97544	1.7
99.04408	1.9
100.02462	75.7
100.07597	1.8
101.00864	8.4
101.01517	1.5
101.02514	2.7
102.00921	2.1
102.02350	2.6
102.52563	0.9
103.00584	1.4
103.02434	56.1
103.03141	6.6
104.02131	3.2
104.03069	1.0
104.10722	1.9
107.01757	0.8
107.04934	1.5
109.02821	2.2
110.02120	3.6
110.99245	1.0
111.02896	1.5
111.04415	1.1
112.03704	8.1
112.53757	0.9
113.00850	4.3
113.02418	4.7
113.03429	1.5
114.04014	1.3
114.09054	0.7
114.73138	0.8
115.02403	3.3
115.03118	0.9
116.02071	0.8
116.52222	0.9
116.98611	1.2
117.02917	1.4
117.03965	2.4
118.03500	64.3
119.01897	29.8
119.02602	1.2
119.03580	2.8
120.01949	5.9
120.03316	1.0
121.01660	4.3
121.03440	50.1
121.04218	22.1
121.54274	5.7
122.02152	1.1
122.04153	4.6
123.03003	0.8
123.04048	3.0
124.01812	1.6
124.07525	1.2
125.02628	4.7
125.06004	0.9
126.03992	14.4
127.03884	3.9
128.02029	1.4
129.00278	5.1
129.02927	2.8
129.03903	1.7
130.04733	11.7
130.54854	0.9
131.00882	1.4
131.01877	25.9
131.02809	1.6
131.04561	1.6
131.05499	1.0
132.01895	1.7
132.05013	1.7
132.55000	1.7
133.01625	3.8
133.02441	1.0
133.03395	14.4
133.04219	1.4
133.05075	1.7
134.05997	1.0
135.05026	2.5
137.02893	6.6
137.04497	1.0
137.05945	1.4
138.01610	3.9
138.03284	3.5
139.02414	1.8
139.04033	1.1
139.48851	0.7
140.03172	1.9
140.04852	1.0
141.05168	2.9
142.03575	1.9
143.01831	3.7
143.03560	4.0
144.03333	1.1
144.05035	25.0
145.03412	7.7
145.04431	0.8
145.05058	2.0
146.03383	1.5
147.01349	33.6
147.03940	13.4
147.04987	2.0
147.54030	2.8
148.01520	0.9
148.03703	1.9
148.04742	1.8
149.02901	12.8
151.02614	1.5
151.04591	1.8
151.06143	1.0
151.07475	1.1
152.01901	8.1
152.04214	2.8
152.07007	4.6
152.08093	1.4
153.03944	1.5
154.03519	11.1
154.13358	16.7
155.01886	1.5
156.04442	4.8
156.97499	1.5
157.01508	1.9
157.02107	1.0
157.03421	16.1
157.04573	1.4
158.03516	1.6
158.06587	1.0
160.04596	1.0
161.02921	12.3
161.04581	1.6
162.03123	1.8
162.05440	1.1
163.02594	0.9
163.04456	2.9
165.02437	4.8
165.03827	0.8
167.02020	0.8
167.03804	0.9
167.06668	1.1
167.55267	0.8
168.02655	3.3
168.04488	2.2
169.03482	1.9
169.04974	3.0
170.02959	95.9
171.01384	1.1
171.03143	4.2
171.04816	0.8
172.04485	8.3
173.02968	4.3
174.03091	0.9
174.98587	4.0
175.00888	2.5
175.02733	4.1
175.04489	24.5
175.06216	3.0
177.04993	12.1
177.55054	3.0
178.04736	1.0
179.03976	1.8
180.06502	1.5
184.04535	3.1
185.02951	2.8
186.06268	1.1
187.04414	1.5
188.04042	3.4
189.00887	0.8
189.02325	4.3
191.03943	1.8
193.00322	1.4
193.01903	5.2
193.04526	2.5
198.02460	2.9
198.06009	3.2
198.07645	2.6
198.12451	7.8
198.18492	100.0
203.03984	2.4
205.05542	2.8
207.03477	11.5
208.03633	2.3
209.03098	1.2
215.57306	0.8
216.03514	1.9
216.07079	2.3
216.99551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1534
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03934	1.8
55.01857	1.7
55.05510	27.8
57.03416	4.6
57.07058	4.1
59.25832	1.5
67.05167	2.3
67.05498	28.6
68.31133	1.2
69.03391	1.7
69.06713	2.0
69.07060	26.8
70.60131	1.3
70.95862	17.3
71.04979	10.2
72.93774	7.8
78.29134	1.4
79.05485	14.2
81.03403	4.4
81.07050	79.1
83.04962	6.6
83.08617	24.1
85.06543	12.5
88.96891	4.3
91.05478	21.8
93.07035	22.2
93.31483	1.6
95.04965	3.6
95.08600	100.0
97.06527	20.7
97.10159	10.5
99.08064	3.7
105.07026	25.2
107.08588	17.9
109.06508	4.4
109.10156	8.1
111.08064	4.6
111.98470	22.4
113.09610	2.2
113.96373	2.2
115.07574	1.5
117.06960	2.0
119.08570	40.5
121.10147	13.0
123.08060	8.9
127.07517	1.6
129.99515	12.3
132.95825	26.9
133.10126	29.3
135.11681	28.0
137.05991	1.9
137.09587	4.6
137.13235	26.9
141.09145	2.7
150.96867	50.5
151.03880	5.2
151.11125	1.5
151.14799	2.8
155.08578	2.9
155.97437	23.1
161.09607	2.5
161.13243	81.3
169.10152	2.5
173.98480	45.5
174.98804	2.1
179.07051	2.0
179.10661	6.2
179.12703	2.7
179.14299	57.5
182.10982	2.9
197.00079	8.8
197.08023	2.1
197.11671	3.8
197.13283	7.5
197.15366	13.7
198.18515	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	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03932	0.9
55.01863	2.7
55.05503	3.0
57.03427	0.9
57.07072	1.8
59.05004	2.0
65.03936	1.7
67.05487	4.4
69.03423	1.3
69.07070	1.7
69.64909	3.9
70.95848	3.6
71.04991	1.0
72.93784	1.7
73.02905	21.8
77.03935	0.6
79.05494	2.9
81.03411	0.7
81.07030	5.6
83.04980	1.1
85.02884	0.6
85.06540	1.3
88.96861	0.8
90.94822	0.4
91.05465	8.8
93.03390	0.9
93.07030	9.8
95.04967	4.2
95.08582	4.0
97.06541	0.9
97.10165	0.7
100.44553	0.5
105.07005	11.5
107.08577	32.1
108.02087	1.4
109.02869	0.8
109.06506	5.7
109.10136	4.7
109.95161	0.4
110.03652	2.4
111.04432	1.6
111.08073	0.9
111.98437	3.2
113.05986	0.6
113.96409	0.7
115.60409	0.5
118.84521	0.5
119.04917	2.8
119.05998	0.6
119.08559	4.5
121.06491	3.2
121.10149	1.8
123.04399	2.2
123.08025	1.3
123.11692	1.9
125.05968	20.0
125.09660	0.6
126.06295	0.6
129.99484	2.1
131.08556	1.5
132.95819	7.4
133.02844	0.9
133.10104	30.7
134.10428	1.3
135.08110	0.9
135.11661	27.0
136.11986	0.7
137.05954	4.8
137.09589	2.5
137.13219	0.8
141.05428	3.5
143.08540	0.6
146.07198	0.7
149.05974	3.0
150.06335	0.5
150.96863	10.2
151.03879	100.0
151.04953	6.8
151.07454	3.6
151.11174	2.7
152.04175	2.7
155.97392	5.9
161.09602	16.2
165.05450	1.7
173.98454	10.3
179.05420	1.0
179.07033	22.7
179.10632	52.4
179.14050	1.1
180.07487	0.8
180.10974	0.8
182.10866	0.6
194.14285	0.4
197.00114	1.2
197.06158	1.0
197.08057	11.7
197.11688	52.9
197.13165	2.8
197.91382	0.5
198.12054	1.3
198.18481	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	197.1169
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.00296	1.0
53.03927	3.3
55.01858	2.8
55.05503	4.9
57.03406	2.6
57.07063	2.1
59.04979	2.0
65.03936	1.6
67.05495	8.2
67.62808	0.8
68.99780	1.1
69.03420	4.3
69.07050	4.5
69.59853	3.8
69.60293	3.9
70.95850	12.2
71.04972	2.6
72.93775	5.6
73.02894	4.0
79.05481	9.1
81.07046	11.4
83.04966	1.8
83.08597	2.2
85.06517	2.3
85.07452	0.8
88.96900	1.1
90.94813	1.8
91.05466	15.4
93.07026	23.5
95.04947	10.8
95.08601	7.2
97.06496	2.7
99.04439	2.2
105.03378	61.8
105.07014	29.8
105.07628	0.5
105.07738	0.9
107.08579	61.0
109.06507	8.8
109.10139	9.3
111.04421	1.0
111.08006	2.4
111.98455	13.4
113.05971	1.5
113.96391	1.1
115.05429	1.3
117.06995	1.0
119.04901	2.2
119.08565	8.9
121.06504	5.2
121.10102	3.0
123.04439	4.7
123.08057	1.7
123.11680	3.8
125.05966	8.1
125.09608	1.4
127.03896	2.6
128.06178	0.9
129.99509	6.6
131.08533	1.6
131.97380	1.0
132.95819	18.8
133.02826	1.8
133.06635	1.2
133.10112	62.4
134.10448	1.9
135.08055	1.7
135.11670	55.9
136.11974	1.5
137.05960	12.2
137.09595	6.3
139.11165	1.0
143.08476	1.5
146.07196	1.3
150.96864	35.5
151.03882	14.8
151.04964	1.5
151.07443	1.9
151.11191	5.7
154.06270	1.4
155.97395	16.1
161.08269	1.9
161.09592	31.2
161.13237	2.7
168.97929	2.0
173.98465	32.1
174.98668	1.0
179.07217	8.2
179.10646	100.0
179.14233	4.0
180.10957	1.8
197.00043	1.9
197.08011	4.3
197.11697	95.0
197.15413	3.2
198.12120	1.3
198.18503	20.6
198.20161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1169
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
53.03935	1.0
55.01862	7.0
55.05500	6.8
57.03397	0.7
62.44325	0.5
67.05486	1.7
69.03428	0.9
69.07062	0.7
70.94549	1.3
70.95846	3.7
71.04984	0.5
72.93773	1.6
79.05481	3.5
81.07043	20.7
83.04973	1.1
88.96894	0.7
91.05455	2.1
93.07024	2.6
95.04958	1.7
95.08607	1.5
97.06482	2.5
99.04426	3.3
105.03384	10.1
105.07019	2.7
107.08570	3.0
109.06499	10.9
109.10131	3.5
111.04433	5.0
111.98460	4.4
119.08557	2.0
121.06474	1.4
123.08016	0.9
123.11713	1.0
125.05973	28.1
127.03897	9.1
128.06216	0.6
128.09196	0.4
129.99495	2.2
131.08542	0.7
132.95801	5.7
133.10110	4.1
135.11656	1.3
137.05957	100.0
137.09546	5.1
138.06276	1.1
143.08531	1.9
147.03307	0.6
150.96863	10.7
151.03961	2.3
151.07565	0.7
151.11147	1.4
155.97397	6.0
161.09608	6.9
165.05486	0.6
168.97963	0.8
173.98463	10.4
179.07124	0.8
179.10652	12.8
179.14470	0.5
197.00072	0.5
197.08044	0.7
197.11700	10.8
197.13406	0.8
198.18504	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	197.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01862	7.0
55.05500	6.8
57.03397	0.7
62.44325	0.5
67.05486	1.7
69.03428	0.9
69.07062	0.7
70.94549	1.3
70.95846	3.7
71.04984	0.5
72.93773	1.6
79.05481	3.5
81.07043	20.7
83.04973	1.1
88.96894	0.7
91.05455	2.1
93.07024	2.6
95.04958	1.7
95.08607	1.5
97.06482	2.5
99.04426	3.3
105.03384	10.1
105.07019	2.7
107.08570	3.0
109.06499	10.9
109.10131	3.5
111.04433	5.0
111.98460	4.4
119.08557	2.0
121.06474	1.4
123.08016	0.9
123.11713	1.0
125.05973	28.1
127.03897	9.1
128.06216	0.6
128.09196	0.4
129.99495	2.2
131.08542	0.7
132.95801	5.7
133.10110	4.1
135.11656	1.3
137.05957	100.0
137.09546	5.1
138.06276	1.1
143.08531	1.9
147.03307	0.6
150.96863	10.7
151.03961	2.3
151.07565	0.7
151.11147	1.4
155.97397	6.0
161.09608	6.9
165.05486	0.6
168.97963	0.8
173.98463	10.4
179.07124	0.8
179.10652	12.8
179.14470	0.5
197.00072	0.5
197.08044	0.7
197.11700	10.8
197.13406	0.8
198.18504	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	197.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03706	0.3
53.03939	3.4
55.01865	0.5
55.05495	0.3
57.03429	1.5
59.04972	0.2
62.00527	0.2
66.03605	0.2
67.05490	0.8
69.03423	0.3
69.07063	0.3
69.58381	1.5
70.95857	1.6
71.04983	0.4
72.93767	0.9
73.02908	0.3
77.03916	0.9
79.05487	3.2
81.03360	0.3
81.07044	1.2
83.04999	0.3
85.06509	0.3
88.96873	0.4
91.05489	1.6
91.19951	0.2
93.07037	2.2
95.04351	0.4
95.04956	6.9
95.08568	1.1
97.06497	0.4
105.03378	100.0
105.06989	1.9
106.03697	1.4
107.08578	4.5
109.06529	1.1
109.10133	1.2
111.08083	0.4
111.98486	1.4
116.02960	0.2
119.04905	0.2
119.08569	0.8
121.06509	0.5
121.10120	0.4
123.04421	4.2
123.08054	0.5
123.11733	0.3
125.05972	0.6
125.09649	0.3
129.99513	1.1
131.75691	0.2
132.95818	2.4
133.10114	4.8
133.11072	0.3
133.52995	0.2
135.11679	4.4
137.05957	1.3
137.09613	0.9
139.07556	0.2
150.96877	4.8
151.03899	1.4
151.07584	0.3
151.11172	0.8
155.97411	2.8
161.09613	3.0
161.13249	0.3
165.05476	0.4
167.07097	0.7
168.97954	0.3
170.25415	0.2
173.98473	4.8
179.07048	5.9
179.10638	7.4
179.14256	0.7
197.00032	0.4
197.08075	0.9
197.09842	0.5
197.11705	6.9
197.13429	0.4
197.15323	0.6
198.18639	0.3
198.88065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0805
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01864	2.2
65.03922	1.7
67.05505	0.9
67.25619	0.3
71.19423	0.7
72.14125	0.3
73.02907	21.9
89.95211	0.3
91.03945	0.3
91.05463	1.8
93.03382	0.9
95.04942	1.1
108.02078	1.9
109.02845	0.4
110.03632	2.1
111.04448	1.4
119.04929	1.2
119.51254	0.2
125.05977	19.6
131.53094	0.3
136.01563	0.3
137.05978	0.8
141.05424	3.5
143.06931	0.3
149.05951	2.6
150.15019	0.3
151.03886	100.0
151.04958	6.4
151.07382	3.2
152.04216	1.7
169.85495	0.3
173.98540	0.3
179.07008	22.7
189.21297	0.3
197.08066	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	197.0805
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03952	0.9
54.85654	0.3
55.01871	2.0
55.05502	1.5
55.84845	0.3
55.93533	0.4
57.03437	0.5
57.07072	0.5
59.04987	0.9
64.32456	0.3
65.03936	1.7
67.05488	4.3
69.03416	0.9
69.07054	1.3
70.95857	3.3
71.01372	0.5
71.04964	0.4
71.62659	0.5
72.93768	1.6
73.02906	23.2
77.03909	0.6
79.05492	2.5
81.03413	0.5
81.07043	4.3
83.04962	0.7
83.08633	0.5
85.06520	1.2
88.96904	0.6
90.94833	0.4
91.03934	0.6
91.05463	7.6
93.03371	0.4
93.07030	7.8
95.04945	4.5
95.08582	2.7
97.06509	0.5
99.04453	0.5
105.03374	0.5
105.04533	0.4
105.07016	9.7
107.04951	1.0
107.08575	23.8
108.02101	1.8
109.02860	0.6
109.06471	3.1
109.10144	3.1
110.03640	1.9
111.04435	1.6
111.08056	0.7
111.98454	3.2
113.16965	0.3
113.96350	0.4
115.05447	0.6
117.06995	0.6
119.04947	2.6
119.05914	0.4
119.06799	0.4
119.08572	3.6
121.06468	2.3
121.10123	1.1
123.04409	1.8
123.08072	0.8
123.11671	1.5
125.05968	19.9
125.09619	0.4
129.99510	2.6
131.08554	0.9
132.95816	5.2
133.10109	23.4
135.08037	0.7
135.11670	23.2
136.11963	0.5
137.05960	3.6
137.09576	2.1
137.13155	0.4
141.05460	4.0
143.08578	0.6
146.07304	0.6
149.05949	3.0
150.96866	8.5
151.03883	100.0
151.04962	6.7
151.07408	3.3
151.11122	2.7
152.04204	1.6
155.08505	0.5
155.97389	4.5
161.09590	12.2
165.05330	0.9
167.08603	0.5
173.98470	9.3
179.03514	0.5
179.07030	23.1
179.10634	39.9
180.11041	0.5
182.10803	0.5
197.00034	1.2
197.08051	12.5
197.11699	38.3
197.13173	1.9
197.18860	0.5
198.11981	0.4
198.18460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0805
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03923	0.6
55.01857	2.2
55.05501	1.3
57.03435	0.5
57.07058	0.7
65.03922	1.1
65.90886	0.4
67.05498	3.4
69.03416	0.7
69.07047	1.5
70.78268	1.3
70.95851	5.5
71.04980	0.9
72.93785	2.7
73.02906	21.6
79.05454	1.3
81.07053	2.7
82.58151	0.4
83.04974	0.5
85.02881	0.6
85.06534	0.9
88.96856	0.8
89.03922	0.4
90.94801	0.4
91.04003	0.5
91.05451	3.6
93.03381	0.7
93.07034	1.3
95.04952	1.8
95.08566	2.8
96.72766	0.4
97.06509	0.8
99.04408	0.5
105.03348	0.7
105.06992	1.3
107.04903	0.5
107.08569	1.5
108.02070	1.0
108.12462	0.4
109.06493	1.9
109.10136	1.4
110.03634	2.0
111.04449	2.5
111.08063	0.6
111.98457	5.3
113.96368	0.9
119.04932	2.2
119.08553	0.8
121.10100	0.6
123.04400	0.6
123.08003	0.7
123.11649	0.7
124.86480	0.4
125.05965	20.1
125.09628	0.4
129.99506	3.6
131.97409	0.5
132.95807	8.4
133.02821	0.6
133.10110	1.7
135.04434	0.5
135.11658	1.3
137.05954	4.2
137.09581	0.7
137.13208	0.5
139.11179	0.5
141.05434	3.7
149.05923	2.9
150.96867	17.9
151.03877	100.0
151.04958	6.7
151.07385	3.2
152.04192	1.8
153.01088	0.8
155.08591	1.2
155.97374	9.0
161.09579	1.0
165.05466	1.3
168.97916	0.9
169.08704	0.5
169.10092	0.7
173.98463	16.5
179.07016	23.1
179.10521	2.1
179.14238	0.6
182.10876	0.8
190.41406	0.4
191.99489	0.6
197.00044	2.4
197.08057	12.7
197.09435	0.5
197.09981	0.7
197.11696	3.0
197.13268	2.0
197.15253	0.8
198.18495	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0806
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01864	2.0
65.03625	0.3
65.03914	1.6
67.05495	1.4
70.95861	2.0
71.37234	0.5
72.93783	1.0
73.02908	22.5
84.84445	0.4
88.96895	0.4
89.03947	0.3
91.03957	0.7
91.05479	2.1
93.03385	0.7
95.01335	0.3
95.04961	1.1
108.02092	1.9
110.03653	2.4
111.04417	1.3
111.98420	1.8
113.96378	0.4
119.04926	1.7
125.05977	19.0
126.06284	0.5
129.99513	0.9
130.49664	0.3
132.95830	2.8
136.01552	0.4
137.05954	1.2
141.05463	3.7
149.05959	3.0
150.96892	5.3
151.03885	100.0
151.04956	6.2
151.07378	3.0
152.04213	1.6
155.97421	3.4
173.98483	5.0
179.07011	24.4
180.07291	0.4
181.82335	0.3
197.08072	11.5
210.21394	0.3
217.25618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01864	6.0
56.96542	2.4
57.03420	4.4
58.99824	1.6
61.02914	5.7
69.03418	13.5
70.63004	4.1
71.01321	1.2
71.04969	2.4
72.60811	1.3
73.02906	6.6
77.00877	2.0
81.03387	4.4
82.01429	3.8
82.99792	1.0
85.02888	10.7
87.01850	1.6
87.04442	1.5
91.94711	1.1
95.01303	5.4
96.02438	1.1
96.51695	1.0
97.02880	24.1
98.51415	1.4
99.04434	2.5
100.02468	20.6
100.51728	1.1
101.00846	15.0
102.00954	1.5
102.02216	5.4
103.00629	1.7
103.02444	12.1
108.02406	1.6
109.02856	3.1
109.52157	1.8
111.02899	2.7
113.00844	1.4
114.04020	1.8
115.02390	3.1
116.03912	1.2
116.99166	4.0
117.02911	1.3
117.49182	2.6
117.99042	3.4
118.01115	1.3
118.03497	15.0
119.01902	52.8
120.01983	4.8
120.03320	5.5
121.01646	6.8
121.03485	5.6
121.49438	1.3
123.02920	2.3
123.04163	1.1
124.03683	1.3
125.01013	1.4
125.01865	2.7
125.02695	1.8
126.02673	1.8
126.03983	3.5
126.48676	1.7
127.03883	2.1
128.49989	1.3
128.52921	3.2
128.99176	6.5
129.02917	1.2
129.49203	16.4
129.52846	2.5
129.99039	18.4
130.02293	1.3
130.03485	1.9
130.49086	3.1
131.01881	18.3
131.02795	1.8
132.01973	4.1
132.03416	4.4
132.05051	26.4
132.98424	1.2
133.01607	3.4
133.02582	1.4
133.03404	8.0
133.05069	1.5
134.01480	2.9
134.02382	2.2
134.99049	1.8
134.99936	1.2
135.49191	7.6
135.99040	6.8
135.99985	2.1
136.49968	2.3
136.93063	1.3
136.99857	1.8
137.02966	9.6
137.53421	1.4
137.99672	16.6
138.03424	2.6
138.49722	39.5
138.96350	1.6
138.99547	43.0
139.01573	2.3
139.49661	4.0
139.51712	1.3
139.99509	1.4
140.99142	1.3
141.49211	3.7
141.51878	2.4
141.99080	4.0
142.03476	3.9
142.49115	1.4
143.01886	4.5
143.99666	12.4
144.03305	1.9
144.05057	3.5
144.49725	38.2
144.52383	1.4
144.99548	37.5
145.01465	1.6
145.02518	0.6
145.03430	13.9
145.04758	2.0
145.04948	2.7
145.49635	4.8
146.03535	2.5
147.00310	1.5
147.01358	7.3
147.03751	4.9
147.04790	1.3
148.00052	1.7
148.04630	1.2
149.02972	5.9
149.48944	1.2
149.99644	9.2
150.00638	1.6
150.03015	1.5
150.06094	18.7
150.49709	33.1
150.50812	2.4
150.96858	1.2
150.99553	35.1
151.02638	1.9
151.04585	1.7
151.06216	1.1
151.49661	4.6
151.99417	2.4
153.00156	5.9
153.03955	3.0
153.50246	24.0
153.51419	1.0
154.00092	31.0
154.02150	5.1
154.03438	4.2
154.50136	4.1
154.94128	3.1
155.48991	2.3
155.98924	3.4
156.00447	2.4
156.05040	6.7
156.50389	2.1
156.97464	20.8
157.03395	3.8
157.99416	2.5
158.49493	11.6
158.97235	2.0
158.99220	5.0
159.00201	9.8
159.01474	1.6
159.50272	28.5
159.53011	1.7
160.00108	33.6
160.04457	1.9
160.50194	3.9
161.02919	9.3
162.01836	1.3
162.03233	1.3
162.04474	7.2
162.50334	1.5
162.98564	1.8
163.00471	1.7
163.02672	5.2
163.04471	4.2
163.50130	1.3
163.99387	3.8
164.49471	18.1
164.52206	2.7
164.99284	17.4
165.00958	2.6
165.02371	2.1
165.04831	1.8
165.49471	3.2
165.53024	2.7
167.03667	3.1
167.49989	3.1
167.53806	1.3
167.99818	2.6
168.50803	7.4
169.00586	4.7
170.00670	2.0
170.02971	15.5
171.01260	3.2
171.50945	2.3
171.99179	12.7
172.00812	2.1
172.04552	3.4
172.95244	6.0
172.99945	13.1
173.03020	2.8
173.50006	92.2
173.52560	2.9
173.99849	100.0
174.02919	3.6
174.06094	89.3
174.49924	17.1
174.98505	26.0
174.99777	2.3
175.00981	1.5
175.04509	1.5
175.06299	2.5
175.98665	1.2
176.00224	2.3
176.04204	9.1
176.50066	1.8
176.54279	2.8
177.01038	1.8
177.02422	5.0
177.03777	1.3
179.97633	1.6
179.99068	25.2
180.99582	2.2
182.00507	8.4
182.50537	45.7
183.00375	51.8
183.50398	9.3
184.00328	1.5
184.50684	1.8
184.99258	1.6
185.00848	10.7
185.03275	1.4
185.04750	22.6
185.50638	10.1
185.54860	4.0
185.98943	1.2
186.00684	4.2
186.04726	4.5
189.00926	1.7
189.02428	12.3
190.02617	2.8
190.96236	4.4
190.99878	1.3
191.50908	2.5
192.07126	25.4
194.01401	4.1
194.51234	2.3
194.99333	3.0
195.01273	5.1
196.95412	1.7
197.07698	2.8
198.00150	32.6
198.18494	1.5
198.98576	2.6
203.00513	1.6
207.03377	2.5
214.96497	44.5
215.01924	1.9
215.96606	13.4
216.01097	3.1
216.96260	12.9
219.02113	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1741
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.09980	1.1
54.55053	1.2
55.01855	2.2
55.05501	15.3
57.07055	5.1
67.05501	5.9
69.03416	7.9
69.06713	2.1
69.07060	30.7
70.76078	3.5
71.04980	4.5
79.05482	6.2
80.40176	1.1
81.07051	26.8
81.42252	1.0
83.04951	1.2
83.08618	15.4
85.06532	6.6
89.03902	2.7
91.05462	1.8
93.07040	16.7
95.08598	49.6
97.06505	1.8
97.10155	8.7
99.08080	36.2
99.08736	1.9
103.40132	1.2
105.07014	2.6
107.04934	1.8
107.08578	37.9
109.10139	10.8
111.08067	14.3
111.11700	2.1
113.09624	5.0
117.03351	6.8
119.04812	1.2
121.10129	58.3
121.96662	1.2
123.08067	1.4
123.11675	3.3
125.09609	25.2
135.04385	1.7
135.11687	14.2
137.13239	18.2
139.11101	3.3
145.02832	14.6
149.05966	2.9
149.13249	5.2
163.03897	3.2
177.05452	18.5
177.16374	100.0
177.77052	1.3
178.16798	1.3
195.17400	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	195.174
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03923	1.5
55.01854	3.5
55.05499	11.0
57.03414	1.2
57.07057	3.8
67.05490	7.0
69.03417	6.1
69.07053	27.1
71.04984	4.1
71.62424	1.2
79.05472	7.3
81.07037	24.1
83.04958	2.0
83.08605	10.9
85.06517	3.8
86.76063	0.9
89.03898	14.3
89.05975	1.1
91.05451	5.9
93.07021	15.1
95.04948	1.5
95.08585	41.4
97.06462	1.2
97.10149	6.4
99.08069	31.1
103.05439	2.0
105.07020	4.4
106.04138	1.2
107.04941	5.1
107.08571	32.7
109.10133	9.1
111.08057	11.1
111.11674	2.1
113.09604	4.5
117.03358	35.8
119.08566	2.6
121.10120	48.5
123.11691	4.0
125.09604	18.7
134.03601	5.6
135.04405	6.0
135.08002	1.8
135.11659	15.9
137.09592	2.0
137.13232	14.9
139.11156	2.6
145.02818	70.5
146.03188	2.1
147.95261	0.8
149.05946	16.3
149.13235	5.5
153.05437	1.0
162.03119	1.6
163.03871	9.5
163.07524	1.8
167.07047	1.3
177.05437	100.0
177.12805	2.6
177.16345	74.1
178.05789	2.8
178.16739	1.7
186.05466	2.2
195.02771	0.9
195.06479	3.1
195.10205	3.0
195.13806	2.4
195.15614	1.0
195.17395	17.5
197.98027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93491	0.9
57.17487	0.4
62.80748	0.3
69.03391	0.4
69.51057	0.8
69.51456	2.8
70.95852	15.8
72.93776	7.2
81.07038	0.4
82.99846	0.6
84.78966	0.3
88.96865	2.9
90.94798	1.7
97.03807	0.3
100.02465	1.7
101.00868	3.8
102.02206	0.9
103.02420	0.6
105.07043	0.6
106.97900	0.4
107.08590	0.7
108.95874	0.5
109.10115	0.4
111.98456	15.5
113.96397	1.9
114.03995	1.9
118.03465	1.0
119.01896	15.1
120.02003	0.4
120.03231	0.8
121.03477	0.5
129.38423	0.4
129.99483	9.9
131.01836	0.6
131.97374	0.9
132.05046	29.4
132.95805	21.8
133.03424	0.9
133.05138	0.9
133.10115	0.9
137.02917	6.3
142.03461	0.9
147.03763	4.9
150.04846	0.4
150.06091	19.3
150.96861	45.1
151.03766	0.9
151.06239	0.8
151.97144	0.5
152.97292	0.5
155.06648	0.8
155.97392	21.8
156.05002	6.6
160.04581	0.6
165.04820	3.1
168.97923	2.1
170.03011	1.3
173.07666	0.6
173.98463	44.0
174.06093	100.0
174.98679	0.7
175.04718	0.6
175.06252	3.3
179.10701	1.0
191.99461	1.0
192.07137	30.4
193.05632	0.5
193.07317	0.6
197.00073	2.5
197.02768	0.4
197.07767	3.9
197.11717	1.0
198.18527	1.8
208.11098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1377
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.02382	1.8
53.03932	5.1
55.01863	3.1
55.05298	1.3
55.05499	14.6
57.03430	8.5
57.07062	1.9
65.03922	1.4
66.91840	1.3
67.05221	1.3
67.05495	17.6
67.50401	1.2
69.03408	3.9
69.07056	32.9
69.50475	4.4
69.50904	8.6
71.04982	14.5
71.19706	1.3
71.99256	1.4
72.93775	2.0
79.05479	39.1
81.07046	35.3
83.04954	3.0
83.08614	7.7
85.02895	3.0
85.06523	4.3
89.03904	13.0
89.05995	4.6
91.05466	26.3
93.07027	65.3
93.56281	1.3
94.35960	1.5
95.04958	15.4
95.08588	27.6
97.06492	3.8
97.10182	1.5
98.21455	3.2
99.08047	3.2
103.05458	2.2
105.07005	15.7
106.04143	2.0
107.04944	12.5
107.08573	40.8
109.06495	13.6
109.10130	2.8
111.08051	2.3
113.96411	2.5
115.05414	3.6
117.03368	29.8
117.07019	15.1
119.08564	23.4
119.09368	2.9
121.06484	13.3
121.10130	14.7
122.07282	1.6
123.08064	9.3
125.05949	2.3
129.06979	2.5
130.07785	3.6
130.96262	1.5
131.08556	23.7
131.96138	2.3
133.02815	6.6
133.06458	9.3
133.10100	4.5
133.97424	1.4
134.03557	2.4
135.04396	12.5
135.08022	5.8
135.11642	12.9
137.09602	12.8
144.09300	3.9
145.02827	58.9
145.03990	2.8
146.03157	2.0
148.97342	4.7
149.05951	18.1
149.09544	3.0
149.13248	14.4
149.97145	2.1
151.03812	1.5
153.97829	2.3
156.59343	1.3
159.11670	22.4
163.03880	94.6
164.04147	2.5
165.06999	2.3
171.98923	3.7
172.98749	3.1
173.20723	1.4
177.05444	100.0
177.12671	10.6
177.16341	6.2
178.05824	2.9
186.05463	2.5
195.02837	7.9
195.06612	6.5
195.10187	2.2
195.11711	3.1
195.13768	4.3
195.15671	2.4
195.17406	1.9
196.16882	1.5
209.21056	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1014
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02389	0.7
53.03932	1.0
54.52903	0.4
55.01855	1.2
55.05503	1.8
57.03429	0.8
61.27797	0.5
65.03929	2.3
67.05511	1.2
69.07059	2.0
69.60290	3.8
71.04993	1.2
78.04707	0.7
79.05484	6.7
81.03409	1.0
81.07042	5.7
82.63934	0.5
83.08594	0.7
85.06544	1.0
89.03905	12.6
89.06029	1.8
91.05465	4.8
93.03401	4.5
93.07037	4.9
95.04971	2.9
95.08600	4.5
97.06511	0.7
98.20761	1.0
98.35379	0.4
99.08088	0.7
103.05451	21.8
105.03400	0.8
105.07003	8.5
105.07663	0.7
106.04150	1.0
107.04940	33.0
107.08579	4.8
109.02857	1.4
109.06495	1.2
109.10144	1.4
109.98947	0.7
111.04438	5.1
111.08044	1.2
111.11684	0.4
115.05434	3.0
117.03362	25.4
117.06998	1.2
118.03682	0.5
119.04912	0.6
120.05708	2.2
121.06495	3.3
121.10102	3.7
123.04414	0.9
123.08012	0.5
123.11662	0.8
124.05206	2.3
125.05976	1.4
125.09616	1.0
131.04889	4.1
131.08513	0.6
131.96117	0.6
133.02858	0.6
133.06516	0.6
133.10088	0.8
134.03618	3.2
135.04407	6.8
135.08035	19.0
135.11676	4.3
137.13211	0.8
139.03879	25.0
139.07539	0.7
145.02824	51.4
145.07555	0.6
146.03148	0.7
147.04372	0.6
148.05132	0.7
148.97360	1.6
149.05954	11.7
149.09615	0.9
149.13258	1.8
149.97169	1.3
152.04721	0.6
153.05490	0.8
153.09099	1.0
154.06226	100.0
155.06589	1.7
159.11623	1.2
161.05952	0.6
162.03099	1.3
163.03886	13.5
163.07523	39.2
165.05441	0.8
165.06889	1.2
167.07014	4.8
167.08400	1.0
171.98917	1.7
177.05441	76.1
177.12723	2.5
177.16359	3.3
178.05775	1.8
180.07825	1.0
186.05467	1.8
195.02899	1.5
195.06537	3.7
195.08371	1.3
195.10149	13.4
195.11678	1.4
195.13747	1.7
195.15646	0.7
195.17413	1.5
200.36836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00304	0.6
53.03934	1.3
55.01859	1.4
55.05499	3.6
57.07054	0.5
65.03934	0.7
67.05495	2.7
69.03426	0.9
69.07056	5.4
70.68555	0.9
71.04993	0.7
75.99409	0.4
77.03909	0.6
78.04703	1.5
79.05480	16.0
81.07048	7.4
82.99998	0.4
83.04964	1.6
83.08609	1.5
85.06506	0.7
89.03901	14.8
89.06015	0.8
91.04892	0.5
91.05466	10.6
93.03394	1.1
93.07030	13.9
95.04945	5.8
95.08611	3.9
97.06525	0.6
99.08122	0.5
103.05450	11.7
104.65578	0.5
105.03369	3.0
105.04491	0.5
105.07017	13.3
106.04134	1.3
107.04940	95.0
107.08576	13.7
108.05254	1.2
109.06497	3.5
109.10143	2.1
111.04397	1.4
111.08067	1.6
115.05438	7.7
116.06172	0.5
117.03364	37.6
117.06242	0.6
117.06987	3.2
118.03584	0.5
119.04913	1.7
119.06073	0.6
119.08559	1.7
120.05721	3.9
121.06506	3.1
121.10120	6.4
123.04391	2.4
123.08061	0.8
124.05185	2.2
125.05958	1.8
125.09601	0.6
130.96320	0.5
131.04924	2.0
131.08565	1.5
133.02898	0.6
133.06468	1.4
133.10179	0.9
134.03621	5.0
135.04402	6.8
135.08032	29.1
135.11658	5.4
137.05962	2.1
137.09581	1.7
139.03865	1.3
139.07495	0.7
140.04672	0.5
145.02823	70.9
145.07574	1.7
146.03171	1.4
147.04407	2.4
147.11650	2.0
148.05156	0.9
149.05957	17.3
149.09602	1.5
149.13235	10.6
151.03850	0.9
151.07549	0.8
152.04684	1.6
153.05461	2.4
153.09064	0.5
153.12708	1.2
154.06226	6.3
159.11673	2.6
161.05936	0.8
162.03114	1.3
162.06793	0.6
163.03894	8.4
163.07526	39.1
164.04240	0.5
165.05441	1.6
165.12747	1.6
167.07014	38.7
171.98842	0.5
177.05443	100.0
177.12674	3.9
177.16364	1.1
178.05779	2.3
180.07808	8.1
184.43765	0.6
186.05446	1.2
195.06551	3.6
195.10149	55.3
195.13766	8.6
196.10463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86086	0.5
53.00290	0.5
53.03940	1.9
55.01849	2.2
55.05502	5.9
57.03415	0.9
57.07070	1.0
59.04978	0.6
60.18218	0.5
65.03938	3.6
67.05495	9.1
68.96335	0.5
69.03418	2.0
69.07057	7.1
71.01328	0.4
71.04979	4.7
71.62846	0.9
77.03942	0.7
78.04694	0.8
79.05479	10.6
81.03401	1.0
81.07042	13.1
83.04980	1.9
83.08620	2.9
85.02854	0.8
85.06524	3.3
89.03899	10.8
89.04404	0.8
89.06021	2.2
91.05468	8.4
93.03394	5.4
93.07032	10.3
95.04936	4.4
95.08090	0.3
95.08592	10.8
97.06527	1.3
97.10165	2.0
99.08086	4.2
103.05450	22.2
105.03405	1.1
105.07006	10.3
106.04168	1.0
107.04939	34.8
107.08579	11.4
109.02871	1.7
109.06535	1.5
109.10137	15.3
109.98899	0.7
111.04418	6.9
111.08056	2.5
111.11699	0.7
113.09626	0.9
113.96402	0.5
115.05418	2.8
117.03358	24.8
117.07011	2.0
119.08556	2.0
120.05701	1.9
121.02822	0.6
121.06484	3.3
121.10117	13.6
121.10952	0.5
123.04420	1.6
123.08034	0.8
123.11684	2.2
124.05200	2.6
125.05980	2.7
125.09617	2.7
125.13181	0.5
130.96309	0.6
131.04886	4.4
131.08553	0.9
131.97371	0.5
133.02831	0.8
133.06474	1.2
133.08621	0.5
133.10095	2.3
134.03636	3.7
135.04401	7.6
135.08037	20.3
135.11668	8.5
136.08389	0.6
137.05960	1.0
137.09575	1.0
137.13245	2.8
138.06624	0.7
139.03876	23.9
139.07481	0.9
139.11064	0.6
145.02821	50.3
145.07573	0.7
146.03151	1.3
147.04346	0.7
148.05156	1.0
148.97348	2.4
149.05959	13.6
149.09593	1.8
149.13200	3.6
149.97211	0.8
151.07512	1.2
153.05428	2.2
153.97844	0.9
154.06221	100.0
155.06567	1.6
158.05939	0.6
159.11613	2.8
162.03114	1.2
163.03883	16.2
163.07520	36.7
164.07874	0.8
165.05482	0.8
165.06935	0.9
167.07056	5.5
167.08476	1.0
171.98930	2.1
172.98827	0.8
177.05440	75.2
177.12746	3.6
177.16376	12.4
178.05788	1.4
180.04205	0.7
180.07838	0.6
180.09344	0.6
186.05458	2.6
195.02896	1.5
195.06543	6.8
195.08543	1.3
195.10184	12.9
195.11703	1.3
195.13713	4.9
195.15718	0.8
195.17432	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	195.1013
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00299	0.5
53.03930	0.6
55.01855	1.2
55.05503	9.1
57.03410	0.3
63.02380	0.5
65.03924	0.6
67.05486	1.6
68.96313	0.3
69.03419	0.6
69.07055	7.3
71.04976	0.5
71.53896	0.7
77.03928	0.4
78.04700	0.8
79.05474	5.7
81.07045	1.5
83.04960	6.5
85.06528	0.4
89.03902	15.5
89.06012	0.4
91.05458	5.7
93.03368	0.6
93.07015	2.8
95.04944	3.4
95.08556	1.6
97.06516	0.9
103.05446	4.8
105.03407	0.9
105.04498	0.4
105.06361	0.2
105.07004	6.1
106.04137	1.1
107.04934	44.6
107.08566	3.4
108.05216	0.7
109.06491	1.2
109.10152	1.5
110.03651	0.5
111.04416	0.8
111.08057	1.8
115.05426	3.7
117.03355	34.6
117.07011	1.4
118.03656	0.6
119.04943	0.9
119.08555	0.6
120.05722	1.8
121.06485	2.1
121.10118	1.1
123.04413	1.0
124.05141	1.2
125.05949	1.7
131.04953	0.5
131.08492	0.5
133.02779	0.4
133.06439	0.8
133.10066	0.4
134.03589	4.8
135.04414	5.3
135.08023	14.1
135.11667	1.8
137.05971	0.7
137.09587	6.5
139.03906	0.7
139.07544	0.9
145.02815	71.5
145.07597	1.0
146.03178	1.5
147.04378	1.5
148.05066	0.4
148.97307	0.7
149.05948	16.1
149.13251	0.7
150.06265	0.5
151.03880	0.6
152.04625	0.7
153.05450	0.8
153.12723	5.3
153.97864	0.4
154.06187	3.5
159.11685	0.7
162.03090	1.6
163.03877	7.8
163.07509	18.7
165.05539	0.8
167.07007	18.7
176.80612	0.4
177.05434	100.0
177.12703	1.3
177.16373	0.5
178.05765	1.9
180.07779	3.8
186.05470	1.3
192.35144	0.4
195.02808	0.3
195.06459	2.5
195.10139	26.0
195.13742	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03930	0.6
54.08778	0.4
55.01847	0.4
55.05502	1.2
56.11748	0.4
57.03411	0.7
59.52835	0.4
63.02358	0.6
65.03922	0.5
67.05498	2.2
69.03421	0.4
69.07047	2.1
71.04972	0.6
77.03896	0.4
78.04700	0.7
79.05476	2.3
81.07045	4.4
83.04964	0.7
83.08615	0.8
85.02885	1.0
85.06523	1.0
89.03905	15.0
89.06033	0.9
91.05471	2.9
92.79578	0.5
93.03412	0.5
93.07016	2.8
93.96320	0.4
95.04954	1.5
95.08587	2.9
97.06496	1.1
97.10137	0.4
99.08067	0.7
103.05466	0.8
105.07005	1.0
106.04153	1.0
107.04941	4.0
107.08585	2.3
109.06476	0.7
109.10143	1.8
111.04417	0.8
113.09634	0.7
117.03366	33.8
117.07032	0.4
117.26398	0.3
118.03707	0.9
119.08521	0.6
121.02835	0.6
121.06521	2.0
121.10126	3.0
124.05218	0.5
125.06002	0.7
133.10138	0.5
134.03624	4.6
135.04398	5.8
135.08034	0.6
135.11684	2.2
137.09558	0.6
137.13219	0.5
139.11131	0.6
145.02827	69.2
146.03175	1.3
148.97340	0.8
149.05963	15.9
149.13226	1.1
153.05447	0.9
153.09305	0.4
153.97852	0.7
158.05957	0.5
159.11719	0.8
159.61018	0.5
162.03107	1.6
163.03885	11.4
163.07513	0.6
163.74461	0.4
165.06940	0.6
171.98909	0.8
177.05449	100.0
177.12657	1.0
177.16373	2.6
178.05792	2.3
186.05490	2.8
195.02905	2.7
195.06570	4.0
195.08163	1.0
195.10156	1.4
195.11749	1.3
195.13780	1.5
195.15765	0.5
195.17313	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
54.61327	0.5
55.05502	1.1
57.03410	0.4
63.02366	0.5
67.05492	1.4
69.07066	2.0
69.61067	3.4
71.04985	1.0
78.04713	0.9
78.71120	0.5
79.05487	2.4
81.07047	2.6
82.73178	0.4
83.04973	0.4
83.08575	0.9
89.03899	13.8
91.05460	2.8
93.07025	2.8
95.04942	1.0
95.08598	2.5
99.08087	1.4
102.00143	0.4
103.05445	1.0
105.07004	1.1
106.04167	1.1
107.04937	2.8
107.08555	2.4
109.06499	0.6
109.10146	2.0
111.04427	0.5
111.08060	0.8
117.03362	34.9
119.57523	0.4
121.06484	1.7
121.10128	3.4
124.05138	0.5
125.09627	0.6
131.08592	0.5
134.03619	5.0
135.04398	6.2
135.08005	1.1
135.11707	2.2
137.13214	1.0
145.02821	71.1
146.03165	1.4
149.05954	18.5
149.09595	0.7
149.13229	0.8
151.07428	0.4
153.05397	0.7
154.06213	1.9
158.06049	0.7
162.03107	1.8
162.31430	0.5
163.03888	8.6
163.07559	0.6
167.07085	0.5
177.05438	100.0
177.16309	3.2
178.05762	2.0
185.47937	0.4
186.05486	1.9
195.06512	2.3
195.10130	0.6
195.11700	0.6
195.13826	0.9
195.17374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.64646	0.4
51.42923	0.4
53.03939	0.6
55.05503	1.8
57.03422	1.0
57.07082	0.5
60.22272	0.4
67.05503	2.5
69.03410	0.6
69.07058	2.4
71.04983	1.6
71.25986	0.4
74.62357	0.4
78.04684	0.9
79.05483	2.3
81.07046	4.1
83.04981	0.9
83.08602	0.9
85.02914	1.0
85.06516	1.1
89.03907	15.3
89.06029	1.1
89.96910	0.4
91.05471	2.9
93.03382	0.5
93.07030	3.7
95.04964	1.2
95.08596	3.2
97.06530	0.8
97.10152	0.4
99.08082	1.2
103.05477	1.1
105.03307	0.4
105.07007	1.4
106.04154	0.9
107.04940	4.7
107.08578	4.3
109.10141	4.3
111.04417	0.7
111.08078	1.3
117.03365	35.7
118.03675	0.7
119.08571	0.5
121.06493	1.2
121.10133	5.0
124.05203	0.7
125.05976	0.8
125.09591	1.0
128.91147	0.4
130.96239	0.5
134.03607	5.0
135.04402	6.4
135.08037	0.9
135.11659	2.6
137.13261	0.7
145.02827	69.2
146.03148	1.4
149.05960	16.3
149.09581	0.8
149.13272	1.6
151.03973	0.5
153.05429	0.6
154.06230	1.0
158.06000	0.7
159.11740	0.8
162.03108	1.0
163.03891	9.7
163.07530	1.1
165.07036	0.6
167.07088	0.6
167.08582	0.9
168.33453	0.4
171.98964	0.9
177.05447	100.0
177.12759	1.1
177.16379	5.1
178.05812	2.8
186.05453	2.2
194.10213	0.4
195.02849	2.3
195.06499	3.4
195.08228	0.8
195.10127	1.3
195.13756	1.3
195.17415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.065
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03934	0.9
53.41029	0.4
54.90244	0.3
55.01863	0.6
55.05508	0.8
57.07051	0.4
62.01588	0.4
63.02355	0.6
65.03934	0.4
67.05488	1.2
69.03411	0.7
69.07069	1.3
69.89812	1.6
69.90243	0.7
71.04975	0.8
78.04692	0.7
79.05463	3.0
81.03432	0.5
81.07054	2.5
83.08613	0.5
89.03904	16.3
89.06037	0.8
91.05451	3.0
93.03349	0.5
93.07018	3.1
95.04922	2.2
95.08593	3.3
97.06498	0.8
99.08090	1.1
103.05457	1.7
105.07027	2.0
106.04166	1.1
107.04940	9.1
107.08571	3.2
109.06499	1.1
109.10156	1.3
111.04428	0.6
111.08057	0.8
115.05441	1.1
117.03364	34.5
117.06992	0.5
118.03703	0.7
118.88589	0.4
119.04944	0.6
119.08549	0.7
121.02841	0.6
121.06500	1.4
121.10112	3.9
123.11719	0.4
124.05205	0.7
125.05978	0.9
125.09630	0.4
130.96329	0.7
131.08545	0.8
133.10115	0.5
134.03610	5.4
135.04404	7.0
135.08032	3.1
135.11664	2.6
137.09641	0.5
137.13280	0.6
139.07547	0.4
139.11102	0.4
145.02824	69.9
146.03194	1.4
147.04382	0.4
148.97334	0.7
149.02322	7.9
149.05968	17.6
149.09596	1.0
149.13281	0.9
151.03976	0.6
152.04736	0.4
153.05492	0.8
153.97882	0.4
159.11703	1.2
162.03114	1.8
163.03889	9.6
163.07538	3.0
165.05490	0.4
167.07010	3.0
171.98985	0.5
177.05447	100.0
177.12697	1.1
177.16428	2.9
178.05801	2.9
180.07828	0.6
186.05431	1.7
195.01237	0.4
195.02942	0.8
195.06490	2.9
195.08466	0.8
195.10167	4.5
195.11787	0.6
195.13786	1.5
195.17502	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.05508	4.7
57.07061	1.3
64.21665	0.5
67.05486	2.2
69.03404	2.0
69.07058	8.1
69.69541	2.5
69.69949	1.1
70.29411	0.5
71.04982	1.5
78.04682	0.7
78.24454	0.6
79.05495	3.2
81.07043	7.8
83.04962	0.8
83.08606	3.6
85.06519	1.7
89.03394	1.0
89.03904	14.2
89.05986	0.7
91.05477	3.2
93.03403	0.7
93.07033	6.6
95.04963	1.4
95.08595	13.1
97.06482	1.0
97.10144	1.9
99.08083	10.1
100.59052	0.6
103.05454	0.6
105.07037	0.9
106.04152	1.3
107.04926	2.3
107.08573	10.0
109.10165	4.0
111.08060	3.8
111.11741	0.8
113.09627	1.5
117.03364	33.9
119.86467	0.5
121.06481	1.5
121.09304	1.1
121.10124	18.4
123.11687	1.0
125.05991	0.7
125.09601	6.5
130.73010	0.5
130.96286	0.5
131.08620	0.7
133.10103	0.8
134.03633	5.9
135.04399	4.9
135.08025	1.0
135.11685	4.4
137.09563	0.6
137.13255	3.9
139.11177	0.8
145.02824	66.5
146.03162	0.7
149.05959	17.3
149.07106	1.1
149.09511	0.6
149.13261	1.8
151.11128	0.5
153.97949	0.7
158.05946	0.6
159.11674	1.2
162.03084	1.6
163.03868	8.5
167.07069	0.7
172.14026	0.5
177.05444	100.0
177.12825	0.9
177.16364	26.1
178.05780	1.0
186.05458	2.3
195.06535	2.9
195.10129	1.4
195.11877	0.7
195.13766	1.5
195.17412	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	195.0649
Annotation	Scytalone
Peak:m/z	Relative Intensity
53.03931	1.9
55.05497	0.9
57.03398	0.5
63.02391	0.4
63.21963	0.4
65.03924	0.7
67.05481	1.5
69.03407	0.8
69.07053	1.0
70.77810	0.6
70.78146	0.7
71.04958	0.4
78.04686	1.1
79.05478	4.5
79.53921	0.4
81.03421	3.4
81.07050	3.5
83.04941	0.5
83.08614	0.6
85.06480	0.5
89.03897	14.9
89.06019	0.9
91.05470	2.7
93.03391	0.5
93.07032	2.9
95.04949	2.8
95.08585	1.9
96.05718	1.8
99.08069	0.8
103.05467	1.1
105.03372	0.5
105.06999	1.6
106.04166	1.3
107.04943	2.7
107.08570	3.1
109.02885	0.7
109.06522	2.5
109.10160	0.7
111.04409	0.9
111.08057	1.6
113.05955	0.6
117.03358	34.8
119.08537	1.0
120.57031	0.4
121.02868	0.8
121.06496	1.3
121.10114	2.9
122.03625	2.2
123.08032	0.5
124.05196	3.2
130.96269	0.8
131.08521	1.0
134.03601	4.8
135.04369	5.5
135.08018	1.2
135.11722	2.0
137.02307	1.8
137.09595	2.2
139.07494	4.2
141.01782	0.5
145.02820	65.8
146.03157	0.7
148.97380	0.8
149.05954	16.5
149.09550	2.1
149.13214	0.8
151.03839	1.3
152.04662	5.2
153.05544	0.6
153.12697	0.5
156.04024	0.5
159.11656	1.0
162.03090	1.8
163.03879	10.3
163.07509	1.1
167.07069	0.7
171.98924	0.8
177.05438	100.0
177.12674	1.2
177.16362	1.0
178.05783	1.2
185.07950	1.1
186.05478	1.9
195.02827	0.9
195.06505	28.0
195.10150	3.4
195.13762	1.6
195.15521	0.4
195.17554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0648
Annotation	Scytalone
Peak:m/z	Relative Intensity
51.55179	0.3
54.62549	0.4
55.01870	0.4
65.03915	0.6
70.75674	0.6
70.76021	0.5
73.64287	0.3
78.04705	0.7
79.05476	0.7
81.07055	0.4
89.03901	15.1
91.05469	1.2
93.03372	0.4
93.07043	0.6
95.04939	0.6
98.46466	0.3
103.05442	1.0
105.03374	1.5
106.04137	1.0
106.36501	0.4
107.04910	1.2
111.04416	0.5
117.03356	35.1
121.06461	1.0
121.10091	0.8
125.05986	0.6
134.03603	5.5
135.04396	5.4
137.09549	0.5
145.02815	70.6
146.03119	0.7
147.04420	0.6
149.05954	16.7
153.05486	0.4
161.03008	0.3
162.03053	1.6
163.03860	7.5
167.07056	0.4
177.05432	100.0
178.05772	1.3
186.05453	1.2
195.02913	0.4
195.06474	1.8
195.10156	1.0
204.04147	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0649
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03933	0.5
55.01849	0.6
55.05499	6.0
63.02359	0.7
65.03919	0.5
67.05492	1.5
67.29950	0.3
67.75824	0.4
69.07054	5.5
69.94729	1.4
69.95145	0.6
71.63035	0.4
78.04694	0.8
79.05483	3.1
81.07041	1.1
83.04966	5.1
86.92755	0.4
89.03905	15.5
91.05462	3.4
93.03401	0.4
93.07038	2.4
95.04959	2.0
95.08606	2.1
97.06496	0.9
98.20805	0.6
103.05462	2.3
105.07015	2.7
106.04160	1.3
107.04936	18.1
107.08569	1.9
109.06475	0.8
109.10152	1.4
111.04401	0.5
111.08065	1.7
115.05428	1.6
117.03359	36.3
117.07029	0.7
118.03695	1.0
119.04941	0.4
119.08549	0.4
120.05708	0.5
121.06479	1.6
121.10127	1.0
123.04403	0.6
124.05212	0.8
125.05973	0.8
131.04832	0.4
134.03616	4.7
135.04410	5.8
135.08020	4.8
135.11664	1.1
137.09593	6.4
139.03860	0.5
139.07483	0.5
145.02817	65.2
146.03168	1.3
147.04364	0.6
148.97270	0.4
149.05959	16.6
149.13248	0.4
153.05435	0.9
153.09050	0.4
153.12712	4.2
154.06224	0.9
162.03096	1.2
163.03883	7.5
163.07516	7.1
165.05426	0.4
167.07008	6.2
171.99011	0.4
177.05435	100.0
177.12715	1.1
177.16348	0.8
178.05836	2.1
180.07779	1.5
186.05479	1.6
195.02931	0.6
195.06531	2.1
195.08301	0.5
195.10144	10.4
195.13776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03920	2.2
55.01857	1.9
55.05499	13.7
56.96529	1.5
57.07060	3.6
59.04980	4.7
64.68736	1.5
67.05489	11.8
69.03418	3.9
69.06717	1.9
69.07058	28.9
69.65705	1.3
70.18750	1.4
71.04976	14.2
71.62987	2.6
72.20229	1.4
73.08041	1.3
73.23152	1.6
78.29344	1.4
78.30604	1.5
79.05476	9.2
81.07045	24.3
83.04962	4.5
83.08591	4.9
85.06531	12.5
91.05484	8.5
93.07028	28.6
93.07610	2.5
95.04947	34.0
95.08582	26.5
97.06511	4.3
97.10146	9.0
99.08084	9.2
99.08640	1.5
103.05444	2.9
105.07017	27.6
107.08578	36.2
109.06496	100.0
109.09441	2.4
109.10137	25.3
110.06810	2.8
111.08062	8.2
111.11700	2.8
115.05429	2.4
117.06952	2.3
119.08563	34.0
121.10116	9.9
122.03559	1.8
123.08040	7.0
123.11678	26.1
131.08484	1.9
133.02841	9.6
133.06473	12.2
133.10097	34.2
135.08026	2.8
135.11667	42.4
137.05937	3.2
137.09593	17.8
140.94179	1.7
146.97374	3.5
147.11664	10.1
149.05968	2.0
149.13242	11.7
151.11137	5.8
151.14816	2.1
161.05931	13.4
164.62381	1.5
165.05319	1.6
166.08556	1.9
175.11145	5.1
175.14781	46.8
176.15167	2.5
178.02606	5.7
193.04927	33.1
193.08545	4.6
193.10379	1.9
193.12187	6.6
193.15843	87.8
194.05147	1.5
194.08038	2.4
194.11978	1.8
194.15242	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	193.1585
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
52.23008	0.7
53.03940	1.0
54.50004	0.7
55.01847	1.4
55.05503	12.6
56.02144	0.7
57.03428	3.9
57.07053	2.6
57.07324	0.7
57.76163	0.8
58.26596	0.7
59.04985	1.8
64.02872	0.7
64.30875	0.8
65.03914	1.2
67.05499	12.7
69.03409	1.6
69.07061	14.6
69.56998	6.2
71.04980	4.0
71.08615	1.2
78.12415	0.7
79.05483	6.7
81.03398	2.3
81.07051	16.7
83.04967	8.8
83.08185	1.0
83.08617	9.6
85.06525	5.1
91.05463	7.2
93.07027	15.1
95.04963	5.0
95.08597	29.3
97.06526	4.8
97.10148	2.1
98.20665	0.8
99.08082	9.6
103.05431	1.7
105.07019	23.4
107.04913	1.0
107.08584	27.4
109.06509	11.1
109.10143	27.2
111.08064	9.9
113.09647	0.9
115.05450	2.7
119.08562	37.0
121.10133	22.2
123.07171	1.6
123.08054	27.9
123.11694	9.4
125.09570	2.2
131.08556	2.0
133.02841	1.2
133.06487	11.2
133.10112	30.4
135.07959	1.2
135.11674	33.7
137.09599	46.8
137.13229	4.2
138.10399	8.2
143.06003	1.0
145.10085	1.3
147.08101	0.8
147.11667	8.6
149.12141	0.6
149.13232	14.5
151.11153	5.1
151.14786	3.5
161.05966	14.6
165.12735	15.2
165.16399	1.9
175.11305	1.5
175.14803	48.0
176.15134	1.1
192.44804	0.7
193.04912	4.4
193.08600	7.0
193.12193	2.6
193.15865	100.0
194.16182	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1584
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03942	2.0
55.01862	1.7
55.05502	33.5
57.03413	1.3
57.07049	4.6
59.04979	5.1
67.05176	1.0
67.05491	24.8
69.03406	2.9
69.07055	9.7
71.04980	2.7
71.06339	3.8
79.05482	10.9
81.07049	20.3
83.04965	17.7
83.08577	4.4
85.06528	18.2
91.05463	7.9
93.07027	41.2
95.04952	4.6
95.08591	34.2
97.10157	1.8
99.08079	53.4
103.05428	2.3
104.13910	1.2
105.06370	2.1
105.07021	24.9
107.08577	44.1
109.06498	8.1
109.10139	75.7
109.56190	1.4
110.10466	2.0
111.08068	7.1
115.05441	3.1
118.04191	2.1
119.08561	28.1
121.09308	1.6
121.10123	20.2
123.08054	7.9
123.11679	10.5
125.09669	1.4
131.08467	1.8
133.02783	2.1
133.06468	11.8
133.10109	77.6
134.10426	3.6
135.10811	4.2
135.11671	68.5
136.11980	1.5
137.09590	27.9
138.10332	2.9
147.11670	4.5
149.13211	5.6
151.11151	4.8
151.14830	7.2
161.05956	14.5
165.09171	1.9
165.16415	3.2
170.01761	1.3
175.11278	1.6
175.14807	38.9
175.16264	2.6
178.02582	2.1
193.04930	5.5
193.08574	6.6
193.15855	100.0
194.16254	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	193.1584
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05499	8.5
57.03408	0.8
57.07060	2.2
59.04974	2.9
67.05164	1.5
67.05492	17.5
69.07038	5.5
70.60926	3.3
71.04960	1.5
79.05480	8.3
81.07048	10.1
83.04969	2.3
83.08601	1.2
85.06056	1.5
85.06529	15.8
85.07014	1.7
91.05456	3.5
93.07027	14.3
95.04933	2.6
95.08594	10.4
99.08077	100.0
100.08396	1.4
103.05432	2.7
105.07012	20.8
107.08566	17.7
109.06496	3.3
109.10136	39.2
110.10519	1.3
111.08080	1.6
115.05428	2.9
117.87571	0.8
118.04113	1.6
119.08575	8.6
121.10149	4.4
123.08039	3.9
123.11700	4.9
125.09621	0.8
130.94154	0.9
131.08615	0.9
133.06467	16.6
133.10115	13.3
135.11674	19.6
137.09598	14.6
138.10381	1.3
143.06035	1.2
147.08015	1.6
147.11682	1.8
151.09998	1.2
151.11122	6.4
161.05962	17.5
162.06380	0.8
162.69571	0.8
165.16357	2.3
175.07536	1.1
175.14809	7.5
193.04932	1.6
193.08586	9.8
193.12201	1.9
193.15858	57.9
194.08932	0.9
211.89861	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1585
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03943	2.1
55.01851	4.7
55.05505	22.4
57.03415	2.1
57.07061	5.7
59.04981	4.5
67.05497	28.3
68.88062	1.6
69.03410	3.6
69.07055	12.3
69.29357	13.1
69.29786	7.5
71.04977	3.5
79.05480	20.7
81.07050	24.9
83.04974	8.9
83.08598	5.8
85.06142	1.7
85.06544	20.9
91.05465	16.3
93.07027	36.5
95.04950	6.2
95.08596	31.9
97.06506	3.2
97.10163	3.2
99.08081	88.1
100.08406	2.0
103.05442	10.4
105.07016	72.0
106.07338	2.1
107.08575	41.9
109.06530	8.8
109.10141	64.3
109.12874	1.6
111.08045	5.0
115.05457	11.7
118.04149	5.3
119.08569	37.4
121.10130	17.5
123.08043	9.9
123.11689	10.4
131.04945	2.4
133.02815	4.5
133.06496	47.6
133.10118	55.8
134.06825	2.1
135.11674	52.4
137.05908	4.0
137.09624	27.0
138.10320	2.8
143.04956	2.3
143.06033	4.4
147.04408	2.4
147.08049	2.0
147.11693	13.9
149.13246	5.4
151.11157	6.4
151.14806	6.8
161.05968	71.3
162.06320	2.9
165.09058	2.7
165.16333	3.7
175.11168	4.2
175.14803	55.4
179.64185	2.0
181.74884	1.7
193.04942	15.0
193.08604	20.4
193.12207	7.6
193.15869	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.09332	0.4
53.03955	0.5
54.41899	0.5
55.01878	0.5
55.05502	7.9
57.03423	1.9
57.07069	2.6
59.04993	2.5
65.03939	0.5
67.05499	17.0
69.03429	0.9
69.07059	4.9
71.04996	0.7
71.16611	0.9
71.16925	0.5
79.05489	7.3
81.07049	8.3
83.04974	1.7
83.08603	1.3
85.06535	16.4
85.10136	0.5
91.05470	20.8
93.07034	12.5
95.04966	2.6
95.08596	11.8
97.10130	0.5
99.08083	100.0
100.08410	1.4
105.07022	7.0
107.08581	15.1
109.06492	3.2
109.10146	34.3
110.10468	0.8
111.08089	0.9
115.05449	0.7
119.08569	6.5
121.10149	3.2
123.08071	4.3
123.11697	4.0
125.09631	1.2
133.06494	3.2
133.10118	10.0
135.11679	19.0
137.05988	0.7
137.09596	11.6
137.10570	0.9
138.10393	1.3
147.11676	0.6
149.13229	0.8
151.11186	4.3
157.50121	0.6
161.05975	2.8
162.11264	0.5
165.16339	2.4
175.14810	6.0
193.04938	1.0
193.08623	3.1
193.15862	49.8
194.16176	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.01866	1.5
55.05504	10.3
57.03435	2.0
57.07072	3.4
59.04991	3.7
65.03916	1.0
66.52342	0.7
67.05495	19.6
69.03410	1.2
69.07061	8.8
69.73679	4.3
71.04972	2.7
74.04133	0.6
79.05487	10.9
81.03379	1.7
81.07049	17.7
83.04960	3.5
83.08611	3.2
85.06532	18.6
91.05461	6.9
93.07033	19.4
95.04948	5.7
95.08598	20.1
97.06535	3.9
97.10185	1.4
99.08080	100.0
100.08424	1.5
103.05462	3.1
104.78198	0.7
105.07017	22.9
106.07301	1.0
107.08584	18.7
109.06505	8.8
109.10143	47.1
111.08061	1.9
115.05432	4.9
118.04127	2.5
119.08569	14.9
119.09434	1.0
121.10126	6.0
123.08060	9.5
123.11708	7.8
131.08507	1.0
133.02829	1.6
133.06473	15.1
133.10110	19.4
135.07976	1.0
135.11670	27.8
137.09590	17.4
137.13168	0.8
138.10434	1.3
143.06023	1.9
146.97429	1.0
147.08035	1.2
147.11662	3.5
147.98318	0.7
149.09586	0.8
149.13242	1.9
150.75229	0.7
151.11156	6.4
151.14737	1.6
161.05960	18.6
165.05325	0.9
165.16357	2.3
175.11090	1.2
175.14799	15.7
178.02568	1.5
184.30896	0.7
193.04942	6.5
193.08607	9.7
193.10260	1.2
193.12219	3.8
193.15857	67.9
194.16161	0.8
208.83611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05503	7.0
57.03421	1.4
57.07073	2.0
61.48397	1.0
62.97489	1.3
64.75272	1.1
67.05492	6.1
69.03419	16.2
69.07063	13.7
69.65037	8.6
71.04991	2.4
79.05476	10.6
81.07040	9.7
83.04951	3.8
83.08588	4.1
85.06532	4.4
91.05467	23.5
93.07031	13.6
95.04945	3.7
95.08595	8.7
97.06492	5.8
99.08021	1.2
103.05442	2.9
105.07014	70.9
107.04932	2.5
107.08569	30.2
109.06493	7.0
109.10147	8.5
111.08052	2.7
115.05450	1.5
116.06263	1.7
117.07040	6.7
119.08562	100.0
120.08836	1.7
121.06479	5.1
121.10136	16.3
123.08067	5.8
129.06990	1.6
131.04922	1.5
131.08563	20.7
132.09334	2.7
133.10112	48.7
135.08037	19.5
135.11700	4.2
143.08536	3.7
144.09291	2.7
145.10101	12.9
147.11661	46.4
149.09601	39.3
149.10547	0.8
149.13245	11.4
158.10887	8.2
160.04984	2.4
161.09549	1.3
163.11197	1.7
163.14769	3.7
173.09737	1.3
173.13239	30.4
173.14676	2.6
190.64529	1.2
191.07016	3.4
191.14279	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	191.1789
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05496	8.2
57.07047	2.0
67.05490	5.7
68.72965	0.7
69.07051	22.8
76.26660	0.7
79.05479	6.3
80.07191	0.6
81.07038	8.7
83.08595	7.3
91.05446	4.3
93.07024	25.3
95.04976	0.8
95.08586	51.7
97.10163	5.5
105.06994	2.8
107.08569	33.6
109.10134	24.4
111.11694	0.8
119.08543	1.8
121.10120	48.9
123.11671	3.6
133.10109	2.0
135.11662	38.2
136.11926	1.2
148.12422	0.8
149.13223	9.6
163.14789	1.9
191.17906	100.0
192.18222	2.6
192.86652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1791
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05496	7.7
57.07056	1.6
67.05504	6.3
69.07059	22.0
79.05482	6.1
81.07053	7.9
83.08610	6.7
86.12966	1.0
91.05438	4.5
93.07029	25.1
95.08593	43.3
97.10165	5.2
105.07013	3.5
107.08584	30.6
109.10135	21.2
113.90156	0.9
119.08555	2.3
121.10126	44.3
123.11678	4.1
133.10089	2.4
135.11665	31.7
145.10101	1.2
147.11588	1.3
148.04582	1.0
149.13258	7.2
163.14758	1.4
173.13164	1.3
177.07733	1.2
191.10651	2.0
191.14279	3.5
191.17917	100.0
192.02811	1.2
192.10197	1.4
192.13843	1.4
192.18259	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03941	5.8
53.53768	1.4
55.01865	4.6
55.05505	7.9
56.69626	1.3
57.03431	100.0
59.05017	1.4
65.03934	2.4
67.05492	18.5
69.03419	3.2
69.07059	5.4
74.20214	1.4
75.04467	4.9
79.05489	16.2
81.03414	22.5
81.07038	14.0
83.04972	4.1
83.08603	4.2
85.06534	8.9
88.93567	1.4
91.04900	1.7
91.05473	56.1
93.07030	58.9
93.07620	3.1
95.04970	23.6
95.08591	5.3
97.06520	3.2
97.96442	1.4
99.08092	2.7
102.73672	1.5
103.05466	5.3
105.07021	47.4
107.04955	5.8
107.08601	10.0
109.06516	8.4
109.10149	13.4
111.08083	2.4
115.05464	6.5
117.07013	12.2
119.04935	1.4
119.08569	93.6
121.06494	55.4
121.10111	2.8
123.08042	1.3
123.11693	1.5
128.06238	1.5
129.07001	4.4
131.04922	1.8
131.08577	4.1
133.02841	5.5
133.06479	19.7
133.10104	27.6
135.08031	7.0
135.11696	6.0
137.09589	23.5
142.07748	5.4
145.06471	3.3
145.10141	3.3
146.07277	10.6
147.08031	34.0
147.11671	38.6
149.09607	3.1
149.13251	1.6
157.10124	9.2
160.08791	5.7
160.18637	1.3
161.05975	17.1
165.12733	1.6
175.11168	45.9
175.14766	7.8
178.02596	4.2
190.23012	1.4
193.04964	17.3
193.08580	6.2
193.12225	17.2
193.15836	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	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	1.7
55.01858	1.6
55.05512	6.6
57.03411	1.4
57.07061	2.3
58.25934	0.9
59.04981	2.6
65.03918	2.0
67.05505	6.0
69.03426	5.4
69.07059	12.9
70.87960	3.2
71.04961	3.9
71.98675	1.0
79.05135	0.8
79.05491	10.9
81.03404	1.6
81.07039	13.7
83.04950	3.3
83.08601	3.2
85.06522	4.5
91.05470	18.7
93.07027	21.3
95.04960	5.5
95.08593	14.6
97.06529	9.7
99.08133	1.1
103.05448	9.3
105.03379	1.9
105.07016	38.0
106.07327	1.1
107.04927	3.3
107.08585	26.3
109.06496	15.2
109.10139	17.4
110.84599	1.0
111.08064	1.9
115.05428	3.7
116.06206	1.4
117.06998	8.8
118.04159	3.4
119.04924	2.0
119.08563	19.0
121.06502	10.3
121.10130	20.7
123.08078	8.0
123.11662	3.3
125.05885	1.0
129.06985	4.4
130.04056	1.3
130.07742	1.7
131.04904	8.4
131.08554	36.6
132.05695	1.9
133.02827	1.8
133.06502	1.6
133.10115	100.0
134.10463	1.9
135.04398	1.5
135.08043	25.2
135.11688	7.2
137.09634	2.1
141.93079	1.0
143.08548	5.1
144.09355	1.3
145.06499	2.2
145.10106	16.7
147.04413	1.5
147.08000	1.3
147.11671	20.1
148.05217	6.2
149.05962	2.7
149.09602	12.6
149.13228	13.8
158.10895	7.1
161.09645	2.1
162.05544	1.2
163.07533	10.0
163.11189	3.3
163.14810	5.0
173.05919	2.7
173.09627	3.2
173.13239	52.3
174.13628	1.1
176.04716	2.9
191.03389	3.3
191.07001	25.4
191.10661	12.5
191.14287	92.4
191.17946	3.3
192.14554	2.0
210.30624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	1.6
55.05487	4.5
57.03417	2.0
57.07058	1.1
67.05486	6.5
68.88169	1.1
69.03411	2.7
69.07075	7.4
70.08509	4.0
71.04971	4.5
79.05480	4.9
81.06728	0.7
81.07050	7.7
83.04946	1.5
83.08604	7.3
85.06530	2.4
91.05471	11.7
93.07028	9.3
95.04953	4.6
95.08591	7.4
97.06519	5.4
103.05421	1.2
105.07014	33.8
106.06542	3.4
107.08582	18.1
109.06496	18.4
109.10139	18.1
117.06968	3.9
119.08571	16.1
120.96773	0.9
121.06465	2.6
121.10121	15.3
123.08067	5.5
123.11704	6.9
129.06984	2.3
131.08548	31.3
132.08899	1.2
133.10106	100.0
135.08040	21.6
135.11621	1.8
143.08519	4.4
144.09276	1.9
145.10106	15.9
147.11661	15.0
149.09584	3.6
149.13219	17.3
158.10901	12.4
158.12100	1.7
162.05400	1.0
163.11104	2.4
163.14771	3.6
171.11610	1.3
173.13234	53.1
174.29768	0.9
188.54962	1.2
191.06920	1.1
191.14276	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
50.46785	0.9
55.05492	3.6
67.05496	6.0
69.03410	4.7
69.07056	6.8
69.56702	6.7
71.04979	10.7
79.05493	7.6
79.63072	0.9
80.28981	0.8
81.07046	8.3
83.04960	1.9
83.08601	1.6
85.06537	6.0
91.05462	10.1
93.07029	13.3
95.04956	5.5
95.08585	13.7
97.06519	10.2
97.10134	1.0
101.80786	0.9
103.05452	1.9
105.06372	1.7
105.07015	19.9
107.04937	1.2
107.08574	28.2
109.06485	8.3
109.10135	7.6
111.08068	2.8
115.05434	2.2
117.07001	2.7
119.06166	0.8
119.07796	1.0
119.08564	10.4
121.06476	2.9
121.10120	26.6
123.08047	3.2
129.06956	1.7
130.07788	1.3
131.04973	1.4
131.08545	15.2
133.10107	28.0
135.08041	18.3
135.11652	3.5
143.08504	3.3
145.10081	6.2
147.11658	16.5
148.05186	1.3
148.12442	1.3
149.09601	3.6
149.13242	13.2
158.10880	6.2
163.07500	3.8
163.14848	1.2
173.09644	1.1
173.13223	26.7
191.03322	1.8
191.07002	8.0
191.10648	2.8
191.14275	100.0
191.17908	3.4
192.14511	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	0.5
55.05500	3.4
57.03432	0.5
57.07080	0.5
58.09518	0.3
65.03922	0.5
67.05486	2.0
67.75420	0.3
69.03419	8.0
69.07059	2.0
71.17030	0.7
79.05485	3.8
81.03386	0.4
81.07045	4.2
83.04964	1.1
83.08602	0.7
85.06533	0.6
91.05471	3.8
93.07037	3.1
95.04986	0.6
95.08593	1.7
96.55685	0.3
105.07018	8.5
107.04935	1.8
107.08577	15.1
109.06516	1.1
109.10144	5.2
115.05458	0.8
117.06287	0.3
117.06980	1.6
119.08573	3.5
121.06486	1.0
121.10128	11.1
121.11015	0.5
122.07290	3.3
123.08055	1.3
123.11687	0.8
129.06972	0.6
129.92995	0.3
131.08536	4.3
133.10112	100.0
134.10390	2.0
135.08049	3.9
135.11665	2.2
137.09598	23.6
138.09962	0.7
143.08540	1.0
144.09277	0.3
145.10118	2.2
147.11623	2.1
149.09576	1.3
149.13237	9.1
158.10905	2.4
163.14793	1.8
173.13249	9.9
191.14278	14.3
191.16031	0.8
192.14583	0.4
192.42271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	8.2
57.03431	2.7
57.07052	2.9
59.04997	2.2
65.56586	1.6
67.05494	10.5
69.03422	8.8
69.07069	9.7
70.11624	6.8
71.04983	8.9
79.05487	12.4
81.07035	16.1
83.04956	7.1
83.08592	3.0
85.06520	3.7
91.05468	21.2
93.07027	19.6
94.01226	1.7
95.04954	4.1
95.08585	11.4
97.06505	6.1
103.05448	5.9
105.07021	53.2
107.08580	33.3
109.06489	10.0
109.10153	12.5
110.26491	1.8
111.08048	2.5
117.07030	8.8
119.08559	34.2
121.06464	7.1
121.10118	21.4
123.08067	5.3
123.11699	4.3
123.53123	1.7
123.67180	1.5
128.06172	2.1
129.06978	3.3
131.04956	3.6
131.08554	52.5
133.06619	2.0
133.10110	97.7
135.08029	24.9
135.11644	3.7
143.08511	8.7
144.09387	4.0
145.10115	27.4
147.11681	47.6
148.05238	2.2
149.09618	14.3
149.13248	15.6
158.10872	11.2
163.07527	5.6
163.11182	2.8
163.14801	6.6
173.13254	60.9
174.13599	2.4
176.04695	2.4
191.03340	4.0
191.06924	8.4
191.10664	7.5
191.14297	100.0
192.14693	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	191.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46022	1.7
53.03937	3.9
54.09284	1.6
55.01853	1.8
55.05487	7.3
57.03423	3.0
57.07054	5.6
65.03933	2.6
67.05499	9.5
67.36275	1.6
69.03423	11.0
69.07058	11.2
69.34001	18.8
69.34358	2.5
71.04945	2.3
79.05481	16.6
81.07051	18.3
83.04955	5.0
83.08598	3.2
85.06516	6.2
91.05469	41.5
93.07023	25.3
95.04947	5.8
95.08585	14.4
97.06492	8.1
103.05448	5.7
105.07017	70.7
107.08583	45.0
109.06498	10.0
109.10110	6.5
115.05434	6.2
116.06188	3.2
117.07008	16.0
119.07781	3.2
119.08569	41.5
121.06507	8.2
121.10123	41.5
123.08033	8.5
123.11621	2.7
128.06227	3.3
129.07004	16.8
130.07756	7.1
131.04890	3.9
131.07567	3.1
131.08553	64.3
133.10109	93.9
135.08037	23.3
135.11653	6.6
143.08540	34.2
144.09311	11.5
145.10104	35.8
147.10487	2.6
147.11667	43.9
148.05217	2.7
148.08911	2.4
149.09598	10.1
149.13225	23.7
157.10075	2.2
158.10896	31.7
161.09628	2.3
161.13292	2.0
163.07523	4.7
163.11073	2.8
163.14771	5.3
170.09071	2.0
173.09637	1.8
173.11731	3.8
173.13235	73.0
191.06999	11.1
191.10645	6.7
191.14276	100.0
192.14606	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.8
55.01842	0.9
55.05506	5.1
57.03424	0.8
57.07051	0.8
59.04975	2.1
59.90977	0.8
67.05493	5.6
69.03400	2.8
69.07064	6.7
69.14600	0.8
69.53801	6.5
71.04980	4.6
77.80642	0.8
79.05475	4.4
81.07043	6.9
83.04955	1.6
83.08617	5.7
85.06540	4.6
91.05462	11.3
93.07032	11.6
95.04960	4.5
95.08598	7.0
97.06528	5.6
98.21478	1.1
103.05462	3.5
105.07018	34.4
107.04939	2.0
107.08583	19.8
109.06494	11.5
109.09450	1.1
109.10152	15.5
111.08051	1.3
111.34438	0.8
115.05524	1.0
116.06142	1.0
117.06986	3.3
119.08560	16.6
119.09344	1.4
121.06493	4.7
121.10137	11.8
123.08072	5.5
123.11711	2.6
129.06975	3.2
130.07773	1.1
131.04935	1.8
131.08565	29.4
133.10117	100.0
134.10448	2.3
135.08046	18.3
135.11674	1.6
143.08546	3.8
144.09299	2.9
145.01530	0.8
145.10107	12.4
147.08124	1.4
147.11670	20.3
149.09631	4.9
149.13251	12.9
149.22780	1.0
158.10901	7.6
160.05060	6.0
161.09650	1.0
163.11160	1.2
163.14832	4.0
171.11652	1.0
173.13245	44.5
174.13531	1.7
174.88625	1.0
188.13918	0.9
191.06989	3.6
191.10654	1.9
191.14290	43.1
192.07675	1.2
192.14636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.31794	1.3
55.05498	3.5
57.03421	1.9
59.04998	1.9
63.88914	1.5
67.05499	7.2
68.02254	1.0
69.07055	5.7
70.88390	3.7
71.04984	6.6
74.11614	1.1
79.05500	7.1
81.07047	6.8
83.04953	2.8
83.08604	3.7
85.06534	3.4
85.23255	1.2
91.05476	13.9
93.07050	11.2
95.04963	9.0
95.08595	10.3
97.06528	6.3
103.05450	2.0
105.07022	35.6
107.08593	21.7
109.06501	23.5
109.10152	26.5
110.10509	1.1
113.09641	1.2
117.06996	4.2
119.08568	20.0
121.06498	5.7
121.10122	13.7
123.08086	7.2
123.11695	4.3
129.06970	3.8
131.08562	34.0
133.10121	100.0
135.08032	26.6
135.11668	2.7
136.95964	1.6
143.08539	7.9
144.09285	2.1
145.10124	14.6
147.11662	21.2
149.09612	10.3
149.13271	13.5
158.10913	10.8
163.11157	2.0
163.14816	4.0
171.11714	1.9
173.13258	55.1
174.13533	1.6
191.07005	2.6
191.10658	1.8
191.14308	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03926	3.1
55.01862	2.5
55.05499	9.2
57.07058	2.3
65.03938	2.0
66.93205	1.3
67.05489	7.9
69.03418	19.2
69.07046	11.3
69.61205	4.4
69.61634	6.1
71.04969	1.7
77.28049	1.3
79.05476	15.5
81.07047	11.1
83.04950	5.5
83.08596	4.3
85.06505	1.7
88.82561	1.3
91.05462	31.9
91.67617	1.3
93.07024	15.9
95.04952	4.0
95.08579	8.4
97.06501	3.1
103.05441	9.5
104.80906	1.3
105.07013	54.3
105.48674	1.3
107.04929	3.6
107.08578	41.0
109.06470	6.0
109.10136	9.1
111.08057	2.0
114.35411	1.3
115.05411	4.5
116.06220	3.7
117.07018	12.5
118.04146	2.2
118.07775	1.6
119.08567	54.4
121.06477	5.0
121.09301	2.5
121.10126	33.8
122.07256	2.2
123.08065	6.9
128.06238	2.4
129.06946	7.3
130.07732	3.5
130.54187	1.3
131.04916	7.0
131.08543	28.8
132.05721	1.3
132.09241	1.3
133.10109	100.0
134.10408	1.8
135.08043	22.6
135.11670	5.9
137.09579	16.4
143.08528	17.5
144.09296	4.8
145.06416	1.5
145.10097	23.5
147.11653	28.1
148.05121	2.5
149.05952	2.6
149.09608	8.4
149.13245	16.9
150.13475	1.5
158.10873	17.0
161.09583	1.8
163.07545	6.1
163.11201	2.3
163.14772	4.1
173.05887	1.3
173.09595	1.3
173.13229	31.3
176.04671	1.7
191.03282	1.4
191.07033	9.5
191.10626	5.1
191.14276	69.7
191.17865	3.9
192.07707	2.0
192.14632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1426
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03931	1.5
53.10723	1.4
55.05491	4.1
57.03421	3.2
57.07048	2.1
57.16061	1.3
59.04982	1.6
59.20842	1.4
67.05476	4.8
69.07040	5.5
70.37090	4.9
71.04963	3.8
79.05462	7.0
81.07032	6.3
83.04951	2.5
83.08595	4.2
84.92757	1.3
85.06521	3.6
91.05458	16.1
93.07024	12.7
95.04953	3.8
95.08582	6.2
97.06499	4.9
103.05415	1.7
105.07011	40.9
107.08566	31.9
109.06497	12.2
109.10129	10.8
110.87759	1.4
112.52340	1.4
115.32071	1.2
117.06975	5.4
118.04193	1.1
119.06087	1.3
119.08549	23.7
121.06470	5.1
121.10117	23.9
123.08050	4.3
123.11666	3.3
129.06932	1.9
131.04971	1.4
131.08542	35.5
133.10104	100.0
135.08018	17.0
135.11662	5.0
143.08531	7.0
144.09325	2.9
145.10103	18.6
147.11655	23.7
149.09583	5.1
149.13237	28.4
158.10872	16.1
163.11171	3.1
163.14777	5.6
173.13226	73.3
174.13571	2.0
191.14275	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	190.0496
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
50.39577	0.1
52.08976	0.2
53.16478	0.2
53.73867	0.2
54.00352	0.2
54.01604	0.1
58.78068	0.2
69.84401	0.3
69.84695	1.0
73.02915	0.3
79.05470	0.3
89.03922	0.7
97.02871	0.6
98.20775	0.2
107.04963	0.5
107.52644	0.2
116.04958	2.1
119.01919	0.3
120.04387	0.2
131.01903	0.2
134.05986	0.3
135.04382	0.3
136.17015	0.2
137.02303	0.2
137.05937	0.3
143.01889	0.2
144.04428	0.4
146.05983	0.4
155.01846	0.2
160.03595	0.2
161.02901	0.2
162.05476	100.0
163.05826	2.1
164.05936	0.2
164.75612	0.2
166.53900	0.2
173.03026	0.2
173.07062	0.4
174.05440	0.5
178.04640	0.2
180.54704	0.2
183.04947	0.3
190.04962	48.1
191.05276	0.9
191.07915	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0813
Annotation	10476-41-2
Peak:m/z	Relative Intensity
53.03896	0.5
55.01812	0.6
56.96511	0.6
57.03383	0.5
61.02863	0.3
66.95834	0.3
67.05431	0.8
69.03410	1.3
69.03697	0.3
69.07021	0.3
70.06554	0.3
71.04954	0.4
71.61477	0.3
72.93743	0.5
73.02839	0.9
76.36996	0.2
77.03866	0.3
79.05426	0.9
81.03358	1.1
81.07002	0.4
85.02832	0.9
91.05478	1.9
93.06976	0.7
95.04919	0.4
95.08559	0.4
97.02873	1.6
101.00849	0.3
103.05443	0.6
105.07009	1.4
105.07570	0.3
106.06541	3.0
107.04910	0.7
107.08523	1.0
109.02841	0.5
109.06447	0.6
113.00794	0.3
117.05694	0.5
118.05827	0.2
118.06532	3.6
119.01892	1.7
119.04910	0.5
119.08528	0.6
120.01946	0.3
121.01635	0.4
121.02831	0.8
121.06413	0.3
121.10083	0.9
123.04443	0.3
123.08028	0.5
131.01843	1.7
131.04886	0.4
131.08493	1.0
132.04388	0.4
133.10110	2.2
134.06000	12.8
135.04349	0.4
135.08020	1.1
137.02303	6.3
137.05933	0.7
138.02608	0.7
141.02847	0.3
143.01860	0.8
144.04373	0.5
145.01633	0.3
145.03424	2.0
145.06482	0.3
145.07582	0.7
145.10080	0.4
146.05984	17.8
147.11653	0.6
149.02861	0.5
149.09576	0.3
149.13226	0.6
150.96832	0.3
155.01831	0.4
155.06021	1.6
156.06831	0.5
157.03433	0.8
161.02840	0.6
162.05478	100.0
163.04568	0.3
163.05815	7.3
167.97113	0.5
168.05061	0.6
170.03177	0.7
172.06293	1.0
173.02908	0.7
173.07088	16.6
173.13234	1.1
174.05481	21.4
175.05894	0.5
179.03447	2.1
179.04872	0.3
180.03580	0.5
185.02942	0.6
185.04567	0.3
190.98756	0.3
191.03638	0.4
191.05592	3.1
191.08165	14.2
191.10606	0.6
191.14238	2.9
192.08369	0.3
213.06201	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11507	0.7
59.63720	0.7
67.05487	0.9
69.03416	3.6
70.06273	3.8
73.22863	0.8
79.05495	1.6
81.07024	0.8
83.04963	0.7
83.21762	0.8
91.05457	2.7
93.07058	1.0
105.07016	8.1
107.08523	1.3
109.06444	1.1
117.06976	2.1
119.08569	13.8
121.10167	0.9
128.06134	1.7
129.06995	2.5
130.07739	2.8
130.70172	0.9
131.08542	5.3
133.06451	3.2
133.10092	3.1
141.06982	4.8
143.08545	4.2
144.09306	2.0
145.06389	1.2
145.10107	15.6
147.08040	3.6
147.10498	1.1
147.11671	16.9
155.08540	1.9
156.09322	34.9
159.08028	4.5
159.11673	10.7
160.08818	0.9
161.09576	1.6
161.13214	2.3
171.11667	49.2
172.12021	1.5
174.10371	7.8
189.09116	2.3
189.12712	100.0
190.13077	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	189.1635
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
50.76274	0.5
53.03928	0.6
55.05502	6.9
65.03912	0.6
67.05499	6.6
69.03422	3.8
69.07056	9.5
71.62687	0.6
79.05491	4.0
81.07046	19.1
83.04945	0.9
83.08600	3.1
85.02857	0.6
89.59236	0.5
91.05463	10.0
93.07037	9.7
95.04958	0.7
95.08591	38.0
97.10137	3.3
103.05437	0.7
105.07016	32.1
106.07369	1.0
106.90442	0.8
107.08576	14.9
107.78343	0.6
109.10136	8.2
115.05421	0.7
115.89166	0.6
117.07001	2.4
119.08564	54.6
120.08884	0.9
121.10127	7.6
124.15047	0.6
128.06186	0.5
129.05420	0.8
129.06958	0.6
131.08546	4.6
133.10107	41.1
134.10727	0.7
143.08559	1.2
145.10110	5.3
146.10849	2.1
147.08029	1.1
147.11667	30.1
149.02299	2.6
156.09332	1.6
159.11687	2.6
160.12427	2.6
161.09605	0.7
161.13228	15.2
163.12389	0.5
171.11646	2.3
174.13937	1.8
189.05363	0.7
189.09216	1.6
189.12726	8.8
189.16351	100.0
190.16646	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43541	0.7
55.05501	1.5
67.05497	1.4
69.03421	6.0
69.30582	4.2
69.31005	3.7
71.28950	0.6
79.05458	1.9
83.04955	0.8
91.05471	4.5
93.07018	2.1
95.04871	0.7
95.35148	0.7
105.07014	10.2
106.93894	0.7
107.08587	1.8
109.06547	1.1
117.06991	2.5
119.08568	19.6
121.06484	0.8
128.06174	1.8
129.06924	1.8
130.07755	2.4
131.08524	5.9
133.06483	2.0
133.10138	6.8
135.08025	2.6
141.06950	3.4
143.08524	5.6
144.09300	1.6
145.06496	1.6
145.10104	11.0
147.08015	9.0
147.11667	13.2
155.08575	1.6
156.09326	30.6
159.08006	6.5
159.11662	8.9
160.08783	2.9
161.09596	3.7
161.13228	10.1
171.11664	39.9
172.12001	1.0
174.10388	15.1
189.12721	100.0
190.13028	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
68.85567	0.9
69.03412	4.1
70.67165	2.7
70.99920	1.1
79.05458	1.6
81.06991	1.0
81.78443	0.9
91.05463	2.5
105.07007	9.0
107.08618	1.2
115.05437	1.5
117.06978	2.2
117.44318	1.0
119.08566	13.5
121.10125	1.3
128.06204	2.4
129.06969	2.7
130.07782	2.3
131.08594	4.2
133.06493	2.5
133.10089	4.5
135.07941	0.9
141.06978	5.8
143.08521	5.8
144.09334	1.9
145.10098	17.1
146.10846	1.0
147.08049	6.9
147.11665	13.8
155.08577	2.8
156.09329	41.6
157.09741	1.4
159.08035	2.9
159.11661	10.2
160.08809	1.4
161.09474	1.3
161.13231	2.6
166.72676	1.0
171.11665	55.2
172.11932	1.9
174.10396	7.5
189.12720	100.0
190.13066	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	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09487	0.8
50.13736	0.9
54.43598	0.8
55.05502	1.5
63.41026	0.9
68.16834	1.0
69.03410	3.2
69.49464	0.9
70.05577	5.5
79.83318	0.9
91.05453	3.0
93.05516	0.9
93.07059	1.2
105.07022	8.7
115.05420	1.4
117.07002	2.9
119.08560	11.1
124.90815	1.0
128.06262	1.2
129.07004	1.4
130.07747	3.7
131.08543	3.7
133.06525	2.0
133.10152	4.7
141.06990	6.2
143.08517	4.6
144.09357	2.6
145.10126	15.9
147.08038	4.1
147.11671	15.5
155.08488	1.4
156.08031	2.1
156.09325	40.7
159.08049	3.9
159.11670	12.2
160.08862	1.2
161.13237	1.3
171.11671	58.1
174.10371	5.2
189.12724	100.0
190.13089	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	189.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65403	3.1
52.45319	3.3
53.03925	7.2
55.05510	30.0
55.60354	3.4
57.03421	7.4
57.91526	4.5
59.04974	6.4
59.73950	3.8
61.02919	8.2
67.05499	5.8
68.16158	3.5
69.03431	32.9
69.07052	6.3
71.04987	100.0
71.62643	6.8
75.04464	8.9
79.05502	3.5
81.07030	14.7
83.04974	97.6
83.08584	4.7
85.02419	4.6
85.02894	52.5
85.04818	9.3
87.04458	14.9
91.05462	15.5
93.07023	8.1
95.08583	12.8
99.04426	4.7
101.05945	5.0
104.01363	3.9
105.07012	39.8
107.08575	8.7
107.17287	3.7
108.11966	3.3
111.04436	69.4
113.06009	10.5
115.03905	8.3
117.05488	10.1
117.07012	6.7
119.04898	5.0
119.08561	39.2
128.06273	4.4
129.05460	67.4
129.07001	10.2
131.08534	14.4
133.06415	4.3
133.10107	35.1
135.88013	4.7
143.08533	10.2
145.10107	12.5
147.08035	14.8
147.11650	21.5
156.09300	13.3
159.11758	4.2
161.05986	11.1
161.09586	14.0
161.13225	12.0
171.06512	8.8
171.07965	5.7
171.11694	20.4
174.10378	6.9
189.05409	11.8
189.07529	6.4
189.09012	24.8
189.12698	56.5
189.16360	39.1
189.17918	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	189.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	7.2
57.03423	2.9
61.02913	2.0
61.56503	1.6
67.05498	3.8
69.03424	5.0
70.84221	2.6
70.84586	3.3
75.06618	1.8
81.07040	2.5
83.04971	44.4
85.02898	100.0
86.03238	1.7
87.97988	1.6
91.05464	5.6
93.07034	2.0
95.08604	3.2
98.85915	1.8
100.91754	1.9
103.50220	1.5
105.07021	11.4
110.87722	1.5
111.04432	26.0
119.08588	10.1
128.06165	1.9
129.05469	11.2
129.06963	2.1
131.08574	2.0
133.10106	5.8
143.08565	4.5
145.10069	2.2
147.04315	1.7
147.08046	2.3
147.11670	4.5
147.31291	1.5
154.60202	1.5
156.09325	3.8
160.05164	1.7
161.05980	4.1
161.09593	5.1
161.13229	3.1
171.06477	9.9
171.07811	1.8
171.11674	6.9
189.09079	8.5
189.12675	12.7
189.16362	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	189.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.8
57.03416	3.4
67.05489	4.1
69.03420	6.0
69.76858	5.3
69.77271	6.0
81.07024	3.1
83.04975	45.9
85.02895	100.0
91.05478	8.8
93.07021	4.4
95.04975	2.0
95.08600	5.1
98.21422	2.4
99.90060	1.7
105.03390	2.9
105.07027	15.3
107.08606	2.4
109.10101	2.0
111.04429	29.1
115.05496	3.2
116.76582	1.9
117.06940	2.0
117.38772	1.7
119.04967	2.6
119.08565	14.1
121.06498	1.8
122.76033	1.9
127.03911	2.4
128.06218	2.2
129.05467	11.4
129.07018	2.2
131.08565	4.4
133.06450	4.4
133.10101	13.1
138.16872	2.0
143.08534	4.4
145.10115	3.8
147.04280	2.1
147.08035	5.3
147.11685	9.8
151.36037	1.8
154.96378	1.6
156.09274	3.4
160.05138	2.4
161.05975	2.8
161.09647	7.5
161.13266	2.9
171.06505	12.4
171.11687	8.7
174.06790	2.6
189.05467	3.1
189.09085	15.8
189.12709	24.1
189.16293	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	189.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32121	0.3
53.03934	0.7
54.94621	0.3
55.05499	4.2
57.03420	1.1
59.04991	0.5
61.02917	3.0
65.03931	0.5
67.01873	0.4
67.05489	0.9
69.03416	100.0
69.07057	1.0
69.48587	0.6
69.48998	2.5
70.03747	0.6
70.43920	0.3
71.01343	3.2
71.04980	9.6
74.62032	0.3
79.05485	1.1
81.03367	0.4
81.07034	2.3
83.04965	12.4
83.08595	0.4
84.04500	1.5
85.02891	9.1
85.04821	1.6
87.04454	1.3
91.05479	2.0
93.07052	0.7
95.04942	0.7
95.08580	2.4
99.04462	0.8
101.06023	0.6
105.07014	5.1
107.08586	2.3
109.06493	0.5
109.10184	0.4
111.04420	14.6
115.05483	0.8
117.06978	0.6
119.04957	0.8
119.08555	5.1
121.02933	0.3
121.10167	0.9
128.06233	0.6
129.05460	15.4
129.06978	0.6
130.07738	0.4
131.08562	1.8
133.06514	1.0
133.10114	5.4
142.07782	0.4
143.08516	2.0
145.06529	0.6
145.10115	1.7
147.04407	0.4
147.06972	0.4
147.07980	1.9
147.11658	3.5
149.02386	0.7
156.09329	2.0
159.08047	0.5
159.11662	0.7
161.05981	0.9
161.09627	1.5
161.13231	1.6
171.11644	2.4
174.06734	0.6
174.10388	0.7
189.05449	0.6
189.07533	0.4
189.09058	3.3
189.12662	7.3
189.16345	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	189.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.05500	8.4
57.03433	2.5
61.02914	2.7
67.05458	3.1
68.02957	1.8
69.03442	4.3
70.17804	5.6
78.73725	1.7
79.80609	1.5
81.07043	3.2
83.04973	48.3
85.02895	100.0
91.05451	4.6
93.07006	2.2
95.08575	2.5
105.03380	2.0
105.06995	11.0
111.04420	28.3
115.05470	1.8
119.08589	8.0
127.03949	1.8
128.06229	2.5
129.05431	10.8
131.08562	3.4
133.10066	8.2
143.08562	4.0
145.10101	3.8
147.08029	1.9
147.11635	5.8
156.09341	2.2
161.05956	6.0
161.09581	4.5
161.13187	4.0
168.33026	1.6
171.06554	11.0
171.07924	2.8
171.11664	5.0
189.09097	9.7
189.12686	16.8
189.16368	9.0
190.04343	2.6
195.17580	1.6
207.93192	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.7
55.05499	3.9
57.03421	1.2
59.04996	0.3
61.02921	2.9
65.03921	0.3
67.01828	0.3
67.05495	0.8
69.03418	100.0
69.07063	0.4
70.03142	1.3
70.03526	0.5
70.03755	1.1
71.01340	3.6
71.04983	9.5
73.13445	0.3
79.05496	0.6
81.03421	0.6
81.07059	1.1
83.04467	0.7
83.04967	11.9
84.04471	0.3
84.05332	0.3
85.02892	8.6
85.04838	0.9
87.04453	0.9
91.05476	1.5
93.07020	0.5
95.04976	0.6
95.08595	1.8
98.21533	0.3
99.04456	0.8
101.06036	0.5
105.07008	3.4
106.88743	0.3
107.08585	1.2
109.06502	0.3
109.10148	0.6
111.04427	14.6
119.04964	0.4
119.08562	3.4
121.10143	0.6
128.06204	0.6
129.05460	16.0
130.05759	0.3
131.08572	1.2
133.06520	1.0
133.10127	3.5
136.68379	0.3
143.08604	1.0
145.10143	1.3
147.08078	1.0
147.11671	1.9
149.02385	0.4
156.09372	1.3
159.11752	0.5
161.06003	0.4
161.09679	1.2
161.13261	0.8
171.11726	1.1
174.10428	0.4
189.05414	0.7
189.07658	0.6
189.09097	1.9
189.12672	4.5
189.16330	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	189.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	6.2
55.05499	23.3
57.03426	10.8
61.02907	9.2
67.05488	10.8
69.03427	21.7
69.07056	8.5
70.90662	6.8
70.90991	5.4
71.04982	100.0
75.04462	7.4
79.05481	9.2
81.07059	15.8
83.04970	75.2
83.08619	4.0
85.02895	48.4
87.04451	14.2
91.05473	23.5
93.07047	6.7
95.04958	4.2
95.08584	20.1
101.06012	6.0
105.07018	50.4
106.90456	3.4
107.08583	12.2
109.10133	5.5
111.04427	65.4
113.05985	10.5
115.03911	4.1
115.05421	6.9
117.05466	9.8
117.07053	6.4
119.08561	55.9
119.09353	5.8
121.06470	3.4
121.10133	6.0
128.06213	11.2
129.05472	64.6
129.06990	7.6
131.08556	11.7
131.37308	3.0
132.05722	3.1
133.06450	10.3
133.10106	44.2
135.08072	5.0
138.42459	2.8
143.08548	15.3
145.10109	11.3
146.07277	5.4
147.04396	3.9
147.08031	24.7
147.11678	30.5
156.09348	14.4
159.08051	5.0
159.11765	3.2
160.05186	11.8
160.08813	6.0
161.05956	24.1
161.09624	24.5
161.13280	14.8
171.06474	7.7
171.07903	3.9
171.11696	18.5
174.06754	8.2
174.10443	15.1
189.05409	7.9
189.07451	4.2
189.09073	55.4
189.12689	74.8
189.16357	56.9
207.02840	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	188.0915
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
50.70078	0.3
55.05502	1.2
56.05018	0.9
57.00676	0.4
57.03422	1.8
59.04984	2.5
60.04515	2.3
61.02916	8.9
65.03932	0.4
67.05495	0.6
68.78223	0.5
69.03410	3.1
70.02943	2.3
70.82395	1.3
71.04984	1.3
72.04515	0.9
72.08150	0.5
75.04466	0.8
79.05473	0.6
81.03376	0.9
82.06549	1.4
82.48045	0.4
82.82471	0.4
83.04969	5.3
83.40082	0.4
84.04490	100.0
84.99363	0.4
85.02889	18.1
85.04808	0.9
86.06080	0.6
87.04454	6.8
91.05429	0.4
96.04463	0.7
100.07597	1.2
105.07017	1.5
110.06033	3.8
111.04414	1.8
119.04928	0.5
119.08551	1.1
126.05480	4.8
128.06200	0.7
128.07062	4.8
129.05473	2.1
131.08565	0.7
132.08932	0.6
133.10100	0.9
142.04962	0.4
143.08603	0.6
145.10173	0.5
146.06035	0.7
146.08073	1.4
146.10416	1.0
147.04422	0.6
147.06480	0.5
147.11662	0.9
156.09325	0.5
160.09654	0.5
170.06056	0.4
170.08075	1.1
171.11664	1.2
188.07414	0.9
188.09158	16.5
188.15106	0.7
188.17535	0.6
189.09108	1.4
189.12750	1.6
189.16373	0.9
193.66992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.05501	5.1
57.03421	1.3
61.02910	2.8
62.34740	0.7
64.47980	0.8
67.05500	1.1
69.03418	100.0
69.07058	1.5
71.01352	3.9
71.04981	9.0
71.62593	0.9
79.05492	0.6
81.07043	1.7
83.04968	15.3
83.31741	0.6
85.02892	16.1
87.00174	0.5
87.04442	0.6
91.05482	2.2
93.07011	1.1
95.08618	0.9
99.04465	0.8
105.03358	1.2
105.07026	6.5
107.08585	0.9
109.10169	0.9
111.04422	16.1
117.07058	0.8
119.08566	8.0
121.10136	1.0
128.06169	1.4
129.05460	16.7
130.06531	1.5
131.08577	2.8
133.06464	1.0
133.10112	4.6
143.08568	1.3
144.08081	0.7
145.10136	1.9
146.10983	0.8
147.08051	1.7
147.11655	3.5
156.09349	1.7
161.06017	2.5
161.09630	1.6
161.13260	1.9
171.06462	0.7
171.11728	2.1
174.10330	0.8
175.04031	0.6
176.43791	0.7
189.05547	2.3
189.09171	2.8
189.12714	7.6
189.16318	6.8
189.96545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68196	1.0
76.64971	0.3
77.92220	0.3
84.04465	0.6
91.05462	2.4
103.05439	0.6
115.05426	3.2
117.05730	1.0
117.06998	3.7
118.06522	53.6
119.06873	1.0
123.42969	0.3
128.71846	0.3
132.08072	0.7
142.06497	3.9
143.07269	9.2
144.04379	0.7
144.08058	23.0
145.06491	0.5
145.08443	0.6
146.05983	100.0
147.06340	1.8
155.06029	0.7
160.07571	1.2
170.04601	0.7
170.05974	8.3
188.07036	32.6
189.07349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0704
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
70.05641	2.0
91.05461	3.2
98.20798	0.5
115.05431	4.3
117.05747	1.0
117.07012	3.9
118.06525	56.6
119.06836	1.2
132.08046	0.4
142.06511	4.6
143.07294	10.1
144.04414	1.1
144.08063	24.2
145.06468	0.6
145.08459	0.6
146.05988	100.0
147.06332	2.4
155.06000	0.5
160.07530	1.3
170.06000	7.7
188.07039	34.2
189.07487	0.5
193.50621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0914
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05494	0.8
56.05021	1.3
57.03439	1.6
59.04991	2.5
60.04510	1.8
61.02914	8.2
67.05489	0.4
68.05032	0.5
69.03423	1.6
70.02947	2.0
71.04984	1.7
71.61968	0.4
72.08149	0.6
75.04476	0.7
82.06575	1.4
83.04971	4.7
84.04490	100.0
85.02892	18.0
85.04829	0.9
86.06047	0.6
87.04461	5.9
91.05473	0.6
96.04482	0.5
98.06056	0.5
100.07603	1.4
101.06031	0.4
105.06985	0.8
107.08578	0.5
110.06026	2.8
111.04433	2.1
119.08566	0.6
121.10189	0.3
126.05494	5.4
128.07062	5.3
129.05450	1.7
131.08559	0.4
132.08913	0.4
138.79391	0.4
145.10088	0.5
146.08096	1.0
146.10445	0.8
149.53366	0.3
170.08101	1.3
171.06502	0.6
188.07446	0.8
188.09160	16.8
188.10526	0.7
188.14977	0.8
189.09119	0.6
189.12753	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1326
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.77934	0.8
53.00292	0.9
53.03928	2.2
55.05512	5.6
57.07053	1.5
58.70668	0.7
59.04982	2.8
65.03911	1.1
67.05495	6.1
69.03413	2.0
69.06711	1.5
69.07062	19.2
70.76949	1.0
70.77277	2.3
71.04986	26.6
73.06548	1.1
79.05482	18.5
81.03400	1.3
81.07049	100.0
83.04967	6.6
83.08620	0.9
88.02216	1.1
89.06012	0.9
91.05450	1.4
91.30786	0.7
93.07052	5.0
95.04955	3.5
95.08591	5.0
97.06526	6.1
97.10133	1.8
99.08076	5.7
101.06023	1.3
105.07026	3.0
107.08586	14.1
109.06503	3.4
109.10143	21.3
111.08076	4.9
111.11708	9.0
121.10089	2.2
123.08057	1.7
123.11700	21.6
127.03915	1.1
127.07495	1.1
131.08554	1.8
133.10136	3.0
139.11156	8.8
141.12695	1.0
151.11159	15.7
157.12227	5.4
159.08022	1.2
159.11630	3.5
169.12199	8.3
172.08823	2.4
187.07533	2.2
187.11157	7.7
187.13255	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	187.1478
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03921	1.1
55.05492	4.1
57.07051	4.2
60.40639	0.9
67.05495	4.5
69.03399	1.8
69.07045	3.0
70.89264	0.8
71.57716	1.0
71.61988	1.8
74.89320	0.8
79.05464	4.2
81.03408	1.5
81.07043	11.4
81.10085	0.9
81.82656	0.9
83.04977	1.2
83.08620	5.0
84.04484	1.6
84.21938	0.8
85.02926	1.3
88.01671	1.1
88.02198	15.8
88.38097	0.8
91.05466	12.1
93.07034	10.2
93.99084	0.9
95.04931	0.9
95.08594	8.6
104.04031	1.0
105.07014	33.0
107.08586	7.4
109.10129	1.5
111.04429	1.4
115.05415	1.9
117.07012	8.1
119.08571	13.5
121.10143	1.0
123.08050	1.3
128.06213	1.6
129.05476	1.6
129.06979	3.3
130.07779	5.4
131.08553	51.3
133.10066	1.9
143.08476	5.0
144.09320	2.6
145.10106	100.0
146.10435	2.4
157.10091	2.6
158.10901	1.6
159.06926	2.2
159.11676	22.3
170.08176	1.2
172.12422	2.8
187.03905	3.2
187.06036	1.2
187.07555	1.8
187.11142	5.4
187.12750	5.1
187.14795	71.5
187.22491	3.8
188.09212	2.2
188.15096	2.3
188.66447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1326
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03934	2.3
55.05507	5.6
57.07048	1.0
58.68802	0.9
59.04994	2.4
65.03926	1.0
67.05491	7.0
69.03432	2.3
69.07056	20.3
70.94621	1.9
70.94984	2.3
71.04984	27.4
73.06570	1.2
79.05487	16.7
80.53117	0.9
81.07044	100.0
82.07358	1.4
83.04967	5.8
84.04502	1.3
85.06580	0.9
86.09682	1.3
89.05991	1.5
91.05467	2.7
93.07026	3.9
95.04948	2.7
95.08588	2.8
96.98463	1.0
97.06509	8.1
97.10116	2.3
99.08077	6.3
101.06001	1.4
105.06989	2.2
107.08578	16.4
109.02805	1.0
109.06485	4.1
109.09442	1.8
109.10144	23.3
111.08084	4.6
111.11707	9.4
112.12054	1.0
113.05952	1.1
118.96463	0.9
121.10136	1.9
123.08086	2.5
123.11684	21.6
123.13115	1.0
123.68849	1.0
125.62394	1.0
127.03892	4.5
127.07577	1.2
127.11167	1.8
129.06967	1.5
131.08496	2.0
133.10101	3.6
139.11171	12.0
141.05406	1.1
151.11171	14.6
155.03386	4.7
157.12195	6.7
159.11707	2.3
169.12221	10.9
172.08836	2.0
187.07564	2.0
187.11145	4.8
187.13200	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02904	0.3
69.03387	0.7
69.76888	1.9
70.03748	0.4
82.99821	0.9
84.05323	0.3
85.02893	0.6
97.02872	0.4
98.21436	0.5
100.02502	0.3
101.00858	20.1
102.00962	0.6
119.01894	100.0
120.01972	3.3
123.03039	0.3
124.02399	2.1
133.01639	1.0
133.03416	0.6
137.02927	34.8
138.03020	1.3
142.03468	24.3
143.01837	0.7
143.03622	1.8
156.03230	0.4
160.04527	8.4
161.02930	11.1
161.04639	0.9
162.03041	0.4
162.04327	0.4
165.05040	0.5
179.03975	16.9
180.04089	0.9
184.04445	0.4
202.03732	0.5
202.05602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01846	2.5
55.05494	2.2
56.02195	1.8
56.05845	1.0
57.03416	3.1
58.03735	1.2
59.04990	1.4
61.02898	2.2
65.03915	4.8
67.05478	4.9
69.03415	10.8
69.07044	1.7
70.03751	14.1
71.04975	13.5
71.61234	1.0
71.61584	1.8
78.04701	8.6
79.05482	7.8
81.02971	1.8
81.03405	23.6
81.07032	12.7
82.03739	1.6
83.04951	4.2
84.05293	6.9
85.02877	2.5
85.06533	1.9
86.03214	4.7
88.04781	1.7
91.04971	1.2
91.05479	11.3
92.06258	2.8
93.03399	16.7
93.07031	3.8
95.04952	35.6
95.08587	4.3
96.05278	1.2
97.06496	2.5
99.04435	1.5
100.04794	1.6
105.03365	5.7
105.07038	1.8
106.04163	12.9
107.04967	5.4
107.08567	6.4
109.02867	32.2
109.06481	7.4
110.03715	1.9
111.04436	8.4
112.04722	6.0
113.05958	2.1
119.01890	4.2
119.04915	3.5
120.05719	5.9
121.06422	1.3
121.10125	18.3
123.04411	61.7
123.11682	5.3
125.05959	13.2
125.09612	1.4
126.03097	6.9
127.07552	2.9
130.05782	4.7
131.04906	1.5
133.02823	14.7
134.03612	8.0
135.04367	2.1
136.05144	1.2
137.02316	4.6
137.05951	10.4
138.06686	1.4
139.07510	2.6
139.11156	9.8
140.04646	3.1
141.05440	35.2
142.05844	1.3
143.01895	1.5
147.04364	7.8
148.05168	3.4
149.05882	1.1
151.03873	13.3
151.05925	1.5
152.04692	12.5
153.05434	17.4
154.05838	1.2
155.07007	40.9
161.02917	3.1
165.05484	3.1
166.04953	1.7
166.06255	13.2
167.07022	23.4
167.10689	5.7
168.07381	1.1
169.04932	18.2
177.64679	1.0
183.06517	12.1
184.07286	100.0
184.09352	7.9
185.07539	2.4
185.11722	3.3
185.13300	1.5
198.50728	1.1
200.49725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46978	0.2
60.00614	0.3
62.48177	0.3
69.42161	0.2
69.52722	0.3
71.41151	0.3
71.61230	0.4
82.99798	1.3
85.50720	0.2
100.02457	0.3
101.00865	17.3
102.00957	0.9
105.56780	0.2
119.01905	100.0
120.01979	5.7
121.01595	0.3
121.02375	0.4
124.02420	2.1
137.02937	35.8
138.03036	1.8
142.03479	26.7
143.01900	0.4
143.03642	2.3
144.03224	0.4
160.03163	0.3
160.04533	8.7
161.02937	11.6
161.04599	1.2
162.03004	0.8
162.04207	0.3
165.05081	0.7
179.03987	18.7
180.04143	1.6
184.04564	0.8
202.05487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
60.00640	0.2
69.03421	1.8
71.37860	0.3
82.01413	0.2
82.99818	1.5
83.04969	0.6
85.02905	0.3
87.00436	0.2
87.04475	0.2
95.49950	0.2
99.04486	0.3
100.02489	0.5
101.00869	21.2
107.45394	0.2
111.04440	0.3
113.06934	0.2
118.03522	1.0
119.01909	100.0
120.01994	0.3
121.02312	0.5
124.02431	3.1
129.05440	0.3
136.04593	0.6
137.02943	31.7
138.02982	0.2
142.03484	40.4
143.01839	0.3
143.03624	0.6
153.57715	0.2
160.04544	20.4
161.02945	6.8
161.04399	0.2
165.05060	1.4
174.97435	0.2
178.05588	3.0
179.03993	11.9
183.06216	0.5
184.04578	0.4
202.05569	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0861
Annotation	D-Sorbitol
Peak:m/z	Relative Intensity
53.03936	2.2
54.62552	0.6
55.01863	6.0
55.05503	10.4
57.03428	13.4
59.04980	1.1
61.02918	14.2
65.03928	1.3
67.05480	1.1
69.03418	100.0
69.92899	1.3
69.93297	2.0
70.03772	0.7
71.04981	6.1
71.83002	0.6
73.02903	5.9
75.04439	1.0
76.47477	0.7
81.03405	7.5
81.93978	0.6
83.04968	32.9
84.21851	0.6
85.02893	23.6
87.04458	10.1
91.03948	3.7
99.04438	10.7
101.06039	0.7
103.03931	6.7
111.04425	22.7
117.05502	2.1
119.01892	4.4
128.32903	0.6
129.05460	20.2
137.02930	1.0
142.03523	0.9
147.06482	5.3
161.02954	1.1
165.07605	1.5
173.76474	0.7
183.08669	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81352	0.3
70.81696	0.4
82.99809	1.3
100.02460	0.3
101.00861	20.3
102.00969	0.7
118.03496	0.3
119.01901	100.0
120.01974	4.0
121.02340	0.5
124.02425	1.6
132.11192	0.2
137.02933	32.2
138.03029	1.0
141.54825	0.2
142.03474	23.9
143.01872	0.4
143.03587	1.6
144.03181	0.2
160.04539	6.7
161.02937	9.5
161.04515	0.6
162.03078	0.5
165.05029	0.6
179.03976	18.0
180.04120	0.9
184.04523	0.5
202.05588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1536
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
51.74717	0.4
52.73214	0.4
53.03932	1.1
54.03490	0.5
55.01849	2.1
55.05258	0.7
55.05503	7.3
57.03421	4.4
57.07059	1.8
58.02951	21.6
61.02922	4.1
65.03931	0.5
67.05493	13.0
69.03417	26.0
69.07056	43.6
70.06566	1.6
70.07365	0.9
71.04976	2.0
71.08626	0.6
72.08138	0.7
73.02893	1.1
74.06039	0.7
79.05487	3.7
81.03394	1.7
81.06566	0.8
81.07041	12.5
83.04970	9.6
83.08598	5.0
84.08125	6.0
85.02891	7.2
86.06052	1.0
87.04451	2.9
91.03925	0.9
91.05459	2.5
93.07035	6.5
95.04961	1.7
95.08579	3.9
97.06517	2.4
98.06065	2.1
98.09680	1.4
98.97561	0.9
98.98456	0.9
99.04442	3.0
100.07597	4.4
103.03901	1.3
105.03338	0.6
105.07013	8.8
106.07337	0.5
107.08577	13.5
109.06478	1.8
109.10137	32.8
110.10498	0.6
111.04435	5.3
111.08089	0.7
112.07567	1.9
114.09149	12.2
116.98565	0.9
119.08556	1.3
121.10104	0.9
123.04356	0.7
123.08006	0.6
123.11692	5.5
125.13240	0.7
126.09127	12.5
126.12775	1.2
128.10680	0.8
129.05457	4.6
133.09091	1.1
133.10107	23.8
134.10452	0.7
135.10658	0.9
135.11671	12.6
137.13216	0.7
138.12750	13.3
139.13040	0.6
140.07036	0.5
140.10654	1.0
140.14346	0.6
147.06520	1.5
147.11659	3.6
151.11160	9.9
153.12729	9.4
154.15851	1.0
154.26096	0.4
164.14340	1.9
165.07451	0.5
165.12755	1.9
182.00949	0.5
182.15375	100.0
183.15697	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	180.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22766	2.4
53.03936	4.6
55.01844	6.7
57.03418	6.2
58.79419	2.4
59.80729	2.7
60.04520	5.3
61.02914	16.7
65.03901	5.7
67.88330	2.3
69.03422	20.1
71.04967	4.5
71.61506	3.2
73.02904	7.4
79.05453	4.0
81.03389	7.9
85.02892	100.0
87.04447	3.2
89.03867	6.6
91.03926	9.5
91.05463	7.1
93.07015	3.9
93.93906	2.5
95.04979	4.5
97.02860	24.8
98.97596	4.1
99.04433	4.6
107.04927	5.7
107.55972	2.8
109.02878	5.6
116.98583	4.7
117.03346	9.1
119.04947	3.0
121.06451	8.3
121.10117	4.6
122.44521	2.7
127.03902	18.9
134.05962	3.8
134.99542	4.8
135.04417	19.4
135.08020	4.7
135.11659	2.6
137.05949	5.6
138.05478	10.8
144.06537	3.3
145.02834	10.6
145.04927	15.9
152.06873	3.5
153.05415	3.7
153.09087	3.4
163.03896	58.7
163.07477	4.2
180.06506	7.8
180.08707	5.0
180.10091	4.9
181.04924	10.4
181.08485	4.8
181.12175	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	181.1219
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.91208	1.2
53.03921	1.4
55.01849	2.0
55.05497	2.5
55.27605	1.1
56.96545	2.7
57.07067	33.1
59.04979	3.6
60.18378	1.1
63.51141	1.1
67.05495	1.7
67.91874	1.3
69.03404	3.0
69.07049	3.1
69.87751	6.2
79.05476	11.0
81.03410	7.4
81.07033	5.1
83.04967	62.9
84.05307	1.4
91.05463	1.8
93.07037	6.6
95.04951	17.7
97.06512	33.4
98.97568	18.9
102.84867	1.2
105.07007	3.7
107.08569	8.7
109.06406	1.2
113.96378	1.3
116.97218	1.9
116.98608	20.7
117.06973	2.0
119.08514	2.7
121.01691	1.1
121.06518	3.4
121.10111	12.3
123.08043	1.5
125.05972	100.0
134.99635	18.2
135.11650	7.0
140.00154	3.1
143.08701	1.3
145.10075	10.7
153.00708	3.1
158.01204	4.5
163.11156	98.1
164.11510	3.9
181.02873	1.4
181.08652	1.9
181.12207	47.5
182.12517	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01862	15.9
55.05300	1.8
55.05505	19.6
57.03426	23.0
57.07053	2.1
59.04984	3.7
67.05503	10.1
69.03435	5.0
69.06721	2.1
69.07067	13.8
69.07381	2.7
71.04981	2.6
71.32514	4.2
79.05475	17.9
81.07050	35.6
83.04974	6.3
83.08596	5.5
85.06537	6.5
91.04958	2.7
91.05470	22.2
91.11360	1.8
93.07039	42.8
95.04941	7.5
95.08596	41.5
97.06496	6.6
97.70135	1.8
99.08109	2.3
105.07015	52.0
105.79070	2.1
107.08577	52.1
109.05770	3.8
109.06503	48.0
109.10138	13.1
119.04919	18.8
119.08562	35.5
121.06523	2.0
121.10119	61.5
123.08054	35.5
123.11681	4.6
125.09612	31.7
127.62679	2.0
133.06503	6.5
133.09126	2.3
133.10100	41.7
135.11678	22.7
137.05968	6.3
137.09596	7.3
137.13232	7.8
147.03362	3.7
147.04398	18.0
151.07542	3.5
151.11188	3.0
161.05943	7.9
161.09621	3.6
161.13240	75.4
162.13602	2.1
179.03398	11.9
179.07172	11.4
179.10646	12.0
179.14290	100.0
180.14638	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	179.1428
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03927	1.4
55.01864	5.9
55.05501	16.2
56.96555	1.9
57.03410	4.5
57.07049	4.2
59.04970	1.5
62.66869	1.2
65.03921	2.1
67.05493	91.2
68.05798	1.6
69.03418	6.2
69.07051	16.3
71.04985	5.5
74.94431	1.0
79.05479	15.6
81.03390	3.1
81.07041	68.8
82.07365	1.6
83.04966	3.8
83.08607	3.3
85.06521	1.8
91.05466	14.2
93.07018	23.7
95.04949	14.2
95.08589	100.0
96.08921	1.4
97.06525	2.1
105.07010	15.6
107.08574	14.2
109.06496	9.1
109.10136	59.7
111.08046	1.4
117.06998	1.6
119.04913	5.9
119.05682	1.0
119.08554	18.2
121.10119	6.0
123.04393	1.2
123.08038	12.4
123.11680	1.2
124.16496	1.1
133.06487	1.4
133.10104	8.1
135.11708	6.1
136.86267	1.0
137.09581	14.7
137.13211	2.4
147.04396	8.4
151.11206	1.9
151.14793	11.9
161.05930	3.3
161.13217	7.9
179.03380	3.1
179.06258	8.0
179.10620	2.2
179.14287	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03951	1.3
55.01865	7.3
55.05500	6.5
55.12835	0.7
56.96560	3.9
57.03414	6.4
57.07066	1.2
65.03905	1.6
67.05492	24.4
69.03403	2.4
69.07054	6.9
70.67425	1.9
70.67813	2.0
71.04972	3.1
73.02907	0.9
79.05478	20.8
81.07038	70.5
82.07355	1.3
83.04968	5.8
83.08591	2.5
85.06535	5.3
86.28349	1.0
91.05458	24.2
93.06461	1.7
93.07029	28.9
93.07619	1.9
95.04945	4.5
95.08585	61.8
96.08932	1.4
97.06503	11.3
99.08070	6.2
105.07010	34.1
107.08568	16.6
109.06506	4.3
109.10133	7.0
111.08057	4.7
117.06982	1.5
119.04910	9.7
119.08553	44.4
121.06546	0.9
121.10114	14.2
123.04395	1.6
123.08053	6.5
123.11714	2.2
131.08548	1.8
133.06465	2.5
133.10104	28.8
135.11668	27.2
135.12700	1.7
136.05095	0.8
137.09576	2.9
137.13220	1.9
143.08546	0.9
147.04399	13.5
148.04692	1.2
150.47742	1.0
151.07475	1.1
151.11163	2.3
151.14789	1.0
161.05916	5.2
161.13222	85.4
162.13580	2.8
179.03317	4.8
179.06880	7.0
179.08672	1.6
179.10666	3.1
179.14273	100.0
180.14644	3.7
192.64847	0.9
193.59288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1427
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
55.01860	10.9
55.05506	11.5
56.96538	3.4
57.03415	3.0
59.04998	1.1
67.05492	8.1
69.03426	4.4
69.07067	7.1
70.22135	3.5
70.56407	1.0
71.04973	3.2
74.27280	0.9
79.05475	6.6
81.03384	1.0
81.07041	21.9
82.99223	0.7
83.04961	11.4
83.08609	1.5
85.06517	2.9
89.03873	0.8
91.05460	12.7
93.07027	13.6
94.15174	0.8
95.04951	7.2
95.08590	44.1
96.08924	1.0
97.06499	2.7
97.10152	2.7
98.20728	1.1
98.98456	1.2
100.88977	0.8
103.05477	0.9
105.07015	25.0
107.04915	0.8
107.08578	26.1
108.80476	0.8
109.06500	12.0
109.10130	9.3
111.08047	1.9
114.48931	0.8
117.07002	2.0
118.04143	1.0
119.04929	13.8
119.08564	50.8
120.08866	1.6
121.06495	1.1
121.10126	21.4
123.04427	2.1
123.08044	18.6
123.11678	2.3
131.08565	1.4
133.06427	2.7
133.10110	14.0
134.60014	0.8
135.11685	9.6
136.02158	1.1
137.05943	1.7
137.09578	6.0
137.13243	2.3
138.16563	0.8
139.01559	1.1
146.03580	1.3
147.04387	17.8
151.11147	2.6
151.14684	0.9
152.06989	1.1
161.05981	5.2
161.09612	2.3
161.13234	52.0
162.13539	1.4
164.03957	1.8
179.03354	8.8
179.06592	9.4
179.10880	5.7
179.14285	100.0
180.06398	1.1
180.08165	1.0
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	179.1063
Annotation	4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
51.02364	0.3
53.03934	0.7
55.01611	0.3
55.01862	4.0
55.05499	0.7
57.03430	0.4
57.07059	0.2
59.04980	0.4
61.39036	0.2
62.06081	0.2
65.03920	1.9
67.01837	0.2
67.05491	3.8
68.99780	0.4
69.03412	1.3
69.07050	0.5
71.01337	0.4
71.04967	0.2
71.62068	0.2
71.62529	0.2
79.05477	2.0
81.03404	1.4
81.07038	3.8
83.04964	5.2
83.05447	0.4
85.02894	0.8
85.06538	0.3
89.03916	0.5
91.05462	4.6
93.07027	2.8
95.01290	0.2
95.04950	9.1
95.08578	1.2
96.05283	0.2
97.06517	0.4
103.05465	0.4
105.03374	0.4
105.04500	0.3
105.07010	3.6
106.07332	0.3
107.04914	0.7
107.08577	1.4
108.02074	2.6
108.05722	0.3
109.02849	0.8
109.06493	28.6
109.10132	1.8
110.06833	0.9
111.04427	0.7
112.01584	0.4
117.03340	0.5
117.06953	0.3
119.04926	4.5
119.08561	2.0
120.08070	1.2
121.03957	0.2
121.06477	4.8
121.10115	0.7
122.07259	0.4
123.04417	3.1
123.08040	1.1
123.11709	0.5
127.03845	0.2
127.07554	0.2
128.06210	0.3
131.08536	0.4
133.06445	0.7
133.10103	6.0
133.11069	0.4
134.03584	0.2
135.08026	2.1
136.01529	0.5
136.05148	0.5
137.05975	1.1
137.09595	5.7
141.05441	5.0
143.08568	0.8
146.03615	0.2
146.07272	1.0
147.04404	4.0
149.05957	5.7
151.03879	100.0
151.04977	8.6
151.07358	2.6
151.11145	2.7
152.04218	3.2
152.05327	0.4
161.05954	0.8
161.09578	5.0
161.13188	0.4
162.09874	0.2
164.04562	0.2
164.08305	0.4
166.74446	0.2
179.03464	2.8
179.07019	19.9
179.10625	21.1
179.14157	0.6
180.07332	0.7
180.10933	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1635
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03921	2.4
55.01844	1.2
55.05499	10.1
57.07051	2.3
58.32510	0.9
59.04995	1.9
65.03935	1.8
65.69225	1.1
65.91542	0.9
66.78094	1.0
67.05496	6.9
69.03393	1.2
69.07058	29.0
71.62018	2.0
79.05484	16.1
81.07047	18.0
82.21641	1.3
83.04950	4.2
83.08614	11.1
86.81910	0.9
88.02210	5.4
89.03907	10.0
91.05462	14.8
93.07032	43.4
95.04947	3.9
95.08594	36.0
97.10165	2.6
98.98459	16.9
103.05463	2.7
105.07031	11.1
106.04177	3.1
107.04964	2.0
107.08582	62.7
108.08900	1.1
109.06514	2.3
109.10122	10.1
115.05405	1.6
117.03371	16.5
117.06989	3.3
119.08554	7.4
121.02791	1.8
121.06474	4.9
121.10126	100.0
122.10480	2.3
129.06956	1.3
131.08542	11.9
133.10095	4.8
134.03638	2.4
134.10864	1.3
135.04384	2.9
135.08015	4.2
135.11674	18.4
145.02829	21.5
146.07211	1.1
149.02327	13.2
149.05960	11.3
149.09641	3.1
149.13239	7.3
159.08047	3.1
159.11673	8.3
162.03120	1.4
177.05417	20.6
177.09007	10.0
177.10286	1.4
177.12755	19.9
177.16359	69.1
178.15948	1.2
186.05501	2.5
186.99472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28746	0.4
50.55186	0.4
50.66579	0.4
55.01870	0.8
62.31907	0.5
69.70566	2.9
82.01436	1.9
82.21278	0.5
82.99836	1.1
91.05492	0.5
100.02473	8.6
101.00858	14.4
102.02203	0.5
103.02465	0.5
115.01167	2.9
115.02406	1.4
116.51105	0.5
118.03516	4.3
119.01904	100.0
120.01962	4.1
128.01933	0.9
129.49869	0.9
130.99879	0.6
131.01828	0.5
132.49800	0.5
133.01622	1.7
133.03453	9.9
137.02940	35.6
138.03044	1.0
138.96338	0.9
141.49890	0.9
142.03458	2.3
143.01808	0.9
143.98772	0.9
147.04369	0.6
148.15193	0.4
150.50409	0.7
151.02650	0.7
151.04524	4.0
152.99306	2.7
155.49509	0.5
156.01633	0.8
156.05038	6.5
156.97450	13.5
157.03360	1.0
160.04538	0.8
161.02924	24.0
162.03107	1.4
164.00204	0.6
164.50156	4.1
165.00185	0.9
165.52182	0.6
173.50638	1.1
174.06070	2.5
174.98529	13.2
176.00975	0.7
179.03984	43.7
179.99089	11.7
180.04138	2.1
184.04520	1.2
198.00220	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	177.1634
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03923	1.6
55.05262	0.9
55.05500	12.7
55.80523	1.0
56.08075	0.8
57.07042	1.5
58.52325	0.9
59.32917	1.0
60.75312	0.9
65.03893	1.0
67.05486	8.1
69.07054	27.2
79.05479	22.8
81.07042	82.7
82.07371	1.6
83.08594	11.6
88.02172	1.9
91.05465	7.0
92.23576	0.9
93.07026	35.9
95.04937	1.1
95.08587	54.9
96.08912	1.1
97.10165	6.5
105.07007	7.0
107.08573	100.0
108.08905	1.1
109.06477	1.6
109.10133	14.1
110.88143	0.9
117.59660	1.0
119.08531	1.5
121.10121	77.4
122.10453	1.9
135.11664	16.3
149.13217	4.8
156.75031	1.0
177.16350	82.6
178.16656	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	177.0543
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.66032	0.4
62.01595	0.4
63.02367	1.0
66.81942	0.4
69.07024	0.3
70.68704	0.9
78.04698	1.7
79.05492	0.4
85.06553	0.4
89.03903	32.8
90.04252	0.6
91.05463	2.1
93.07071	0.6
95.04931	0.8
98.21499	0.4
103.05437	1.2
105.89375	0.5
106.04167	2.6
107.08582	0.7
117.03362	63.2
118.03679	1.3
119.04882	0.6
121.06525	0.6
121.10075	0.8
124.05155	0.9
131.08504	0.4
132.09769	0.4
134.03610	9.2
135.04417	5.7
135.11678	0.4
145.02823	100.0
146.03154	3.0
149.05960	23.0
150.06247	0.7
162.03111	1.6
163.03867	3.3
177.05444	38.9
177.12677	0.5
177.16260	0.4
178.05789	1.9
178.96428	0.4
186.05432	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1272
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03936	5.3
55.01854	3.8
55.05267	1.9
55.05505	28.9
57.03431	9.4
57.07052	4.4
63.02397	1.8
67.05497	20.7
69.03403	6.6
69.07059	42.3
69.94229	3.3
69.94644	5.3
70.07377	1.8
71.04987	13.6
71.08607	1.4
78.04674	2.2
79.05485	50.7
81.07047	55.9
83.04957	3.9
83.08618	12.3
88.02200	2.8
89.03899	28.5
91.05465	44.7
93.07031	100.0
95.04949	15.0
95.08598	25.2
95.09174	3.2
96.07522	1.4
97.06522	3.6
98.98438	6.7
103.05460	4.0
105.07013	30.8
106.04134	4.1
107.04922	12.3
107.08578	71.3
108.08898	1.8
109.06519	17.4
109.10137	4.3
115.05418	6.2
116.06179	1.4
117.03360	52.0
117.07005	31.9
119.08568	18.4
121.06480	21.5
121.09303	1.7
121.10117	32.0
121.10910	1.4
122.07264	3.0
123.08034	2.6
129.06990	8.3
130.07764	5.3
131.04834	1.8
131.08543	34.6
132.08791	2.4
133.06543	2.6
133.10103	11.2
134.03639	4.2
135.04378	5.7
135.08041	11.5
135.11667	11.2
144.09296	8.0
145.02818	85.9
146.03168	3.3
149.02283	4.7
149.05975	19.3
149.09625	3.6
149.13228	18.6
159.11671	31.9
160.12065	1.6
162.03114	2.4
163.03864	1.5
175.73996	1.8
177.05435	39.9
177.06853	3.2
177.09108	4.8
177.12720	42.3
177.16399	10.4
186.05440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17717	0.5
53.03932	0.7
55.05499	6.5
57.07072	0.8
58.03807	0.5
59.15161	0.5
60.76252	0.6
62.15599	0.5
67.05480	2.6
69.03420	0.6
69.07059	15.7
69.60983	0.6
71.02541	0.5
71.13564	1.0
78.12744	0.5
79.05478	2.7
81.07046	10.6
83.08608	4.3
84.04483	0.7
85.02900	0.6
91.05470	9.2
93.07024	3.8
95.04935	0.7
95.08585	8.8
95.47534	0.5
97.02901	1.1
98.98458	4.3
103.05475	1.4
104.74251	0.5
105.07014	30.5
106.07302	1.0
107.08578	7.2
109.06506	0.7
111.04358	0.7
115.05434	0.6
117.07005	2.8
119.04899	1.0
119.08561	76.1
120.08907	1.7
121.10110	2.3
131.08543	3.5
132.09258	0.7
133.10106	62.8
134.10478	1.7
135.11678	0.8
142.07742	0.8
145.10110	4.2
146.10896	0.8
147.11674	11.1
157.10088	0.6
160.12471	3.0
173.13232	1.9
175.07549	1.9
175.11191	2.4
175.14793	100.0
176.15157	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	176.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85410	0.9
70.06581	2.0
70.41180	3.3
71.06902	1.0
72.47514	0.7
87.04436	1.9
95.52667	0.8
98.06036	4.3
103.42466	0.8
113.90974	0.8
116.07078	1.9
128.66064	0.8
131.01866	1.2
132.02092	100.0
133.02426	1.8
137.22292	0.8
150.03169	1.0
160.51599	0.8
176.01065	26.2
176.09090	1.7
177.01506	1.1
192.68414	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05500	6.8
56.92409	0.8
57.07054	1.4
67.05478	3.0
69.07056	18.2
70.88789	0.9
70.89113	1.5
79.05460	3.5
81.07044	12.7
83.08608	4.2
85.02881	1.4
91.04943	1.2
91.05470	10.8
93.07022	5.7
95.08588	11.2
98.98454	6.5
103.05470	1.2
105.07011	35.4
106.07342	0.9
107.08585	6.0
109.03053	0.7
115.05421	9.7
117.07012	5.2
119.04956	1.6
119.08559	76.2
120.08871	2.1
121.10128	2.3
129.06952	2.5
131.08575	4.4
132.05650	1.1
133.10109	67.7
134.10452	1.1
142.07669	0.9
143.04883	2.7
144.05627	1.2
145.10101	4.7
147.08018	2.4
147.11664	12.6
157.10039	2.0
160.05164	13.8
160.12457	2.1
161.05653	1.3
173.13280	1.9
175.03922	1.2
175.07512	20.9
175.11407	5.3
175.14793	100.0
176.07906	0.8
176.15102	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03938	0.4
55.05503	5.3
57.07068	1.3
65.03925	0.4
67.05491	1.7
69.03438	0.5
69.07059	18.0
69.27180	0.4
69.27518	4.6
77.52328	0.4
79.05477	1.8
80.12009	0.4
81.07044	4.6
83.08601	2.8
85.02895	0.9
91.05473	6.7
93.07026	3.2
95.08591	5.2
97.02899	0.5
98.98450	2.0
103.05456	0.5
105.07014	19.1
106.07343	0.8
107.08582	4.8
117.07001	2.3
119.04905	1.0
119.08563	69.9
120.08901	1.2
121.10155	2.1
129.06967	0.6
131.08557	2.9
132.09396	0.5
133.10112	58.9
134.10474	1.3
135.11708	0.7
145.10095	4.5
146.10864	1.1
147.08058	0.5
147.11662	9.1
157.10030	0.5
159.11708	0.5
160.05135	0.7
160.12482	2.6
162.28131	0.3
165.65024	0.4
173.13252	2.1
175.07472	2.5
175.11278	1.9
175.14798	100.0
175.18817	2.8
176.15126	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05493	5.2
57.07066	0.9
61.65536	0.4
65.17634	0.5
67.05480	1.4
69.07054	17.5
69.68810	3.1
69.69200	0.9
79.05481	1.8
79.51019	0.4
81.07038	3.6
83.08623	3.4
91.05470	5.1
93.07027	2.8
95.08597	3.4
96.52975	0.5
98.98450	1.1
103.05430	0.6
105.07014	19.5
107.08556	4.0
117.06981	1.7
119.08560	67.3
120.08899	1.4
121.10120	2.1
122.66961	0.5
131.08545	1.6
133.10107	54.2
134.10498	0.8
135.11649	0.5
145.10109	3.7
147.11671	7.4
157.10052	0.6
159.11662	0.7
160.12466	2.1
173.13222	2.1
175.14795	100.0
176.15160	4.7
177.87611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1323
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03924	3.4
54.14173	1.0
55.05487	2.9
57.07038	2.0
59.38374	1.1
65.03915	1.9
67.05482	7.7
71.14538	2.0
79.05470	9.9
81.07033	8.2
83.04954	1.4
91.05466	42.2
93.07019	4.3
95.04904	1.7
95.08575	3.5
103.05428	2.5
105.07014	38.7
107.08597	1.2
111.04442	1.6
115.05421	8.3
116.06220	10.4
117.06208	1.3
117.07000	16.0
119.08557	32.8
120.08924	1.2
128.06186	15.5
129.06990	38.3
130.07782	13.6
131.08543	80.8
132.08911	2.2
133.06462	1.1
133.10091	11.1
137.13165	1.3
141.06876	1.7
142.07739	3.8
143.08533	100.0
144.09337	18.4
145.06470	1.8
145.10097	42.6
155.05931	1.3
156.09300	4.7
157.10126	3.5
158.10880	57.8
159.11205	2.7
171.11723	2.4
173.08086	3.1
173.09583	1.6
173.13229	64.5
174.13582	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05499	7.3
57.03429	0.6
57.07055	1.3
59.04987	0.6
65.03901	0.4
67.05500	1.9
69.03410	1.6
69.07056	18.9
70.06573	0.5
71.04974	0.5
71.62144	0.6
77.03928	0.5
79.05485	2.5
81.07039	5.4
83.04945	0.7
83.08596	4.6
85.02833	0.4
85.06532	1.2
87.04473	0.5
91.05458	9.2
93.07024	3.9
95.08582	5.5
97.02900	0.7
97.06503	0.5
98.98441	5.6
103.05434	0.8
105.07011	22.6
106.07349	0.4
107.04947	1.1
107.08566	4.8
111.04407	0.6
115.05408	0.9
117.06971	2.5
119.08557	73.6
120.08920	1.5
120.99002	0.5
121.10136	2.7
129.06961	0.8
131.08521	3.7
132.04462	0.5
132.05626	0.5
132.62148	0.4
132.95779	0.7
133.10103	58.5
134.10428	2.2
135.07990	0.4
139.11095	0.8
142.07764	1.0
144.87119	0.4
145.06473	0.7
145.10095	5.7
146.10880	0.8
147.04385	0.5
147.07996	3.9
147.11653	10.1
148.11932	0.5
157.10117	0.8
160.05162	0.8
160.08820	3.9
160.12445	2.7
173.13231	2.0
175.03835	0.5
175.07437	3.1
175.11240	12.5
175.14787	100.0
176.07004	0.5
176.11525	0.5
176.15141	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1322
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05494	2.5
59.05001	0.5
67.05485	2.1
71.16750	0.5
71.17097	0.8
72.93759	0.7
74.69437	0.3
79.05466	1.2
81.07047	2.3
83.04967	2.1
84.04485	0.5
91.05475	3.7
93.07055	0.5
95.08585	1.7
99.04437	0.4
101.06004	2.1
105.07024	3.9
109.10133	0.5
111.04424	3.1
114.61117	0.4
115.05452	1.1
116.06229	0.7
117.06999	2.8
119.08558	7.7
120.08907	0.4
128.06177	0.5
129.05443	1.2
129.06973	4.2
130.07761	1.3
131.08546	31.1
132.08846	0.6
133.10109	2.4
142.07707	0.5
143.08533	10.3
144.09343	4.0
145.06444	0.7
145.10095	15.4
146.10391	0.7
150.96893	0.4
155.07013	3.2
156.09315	1.0
157.10115	0.8
158.10893	26.1
159.08054	1.0
159.11227	0.8
171.11635	1.5
173.08183	5.4
173.13234	100.0
174.10425	0.5
174.13609	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0968
Annotation	Crotanecine
Peak:m/z	Relative Intensity
50.89160	0.4
55.01891	0.6
55.05489	0.4
56.05039	4.1
60.75671	0.4
67.05500	1.3
68.05032	5.8
69.07073	0.5
70.06597	1.2
71.01355	0.7
71.05000	1.6
71.60982	0.8
72.04515	5.9
80.05025	1.8
81.03410	0.8
81.07059	1.2
82.06574	7.9
83.04975	3.0
84.04510	0.9
84.08138	4.0
86.06061	5.0
87.04513	0.5
91.05460	0.4
94.06555	2.7
95.04964	9.7
96.04501	1.7
97.02880	0.4
97.06541	1.1
98.06004	0.4
101.00876	0.5
104.03046	0.5
108.08126	4.1
109.06509	6.6
110.06040	8.4
112.07601	35.5
113.07928	0.8
114.05527	9.9
118.06546	0.5
119.01927	1.4
125.05979	3.1
126.09159	8.6
130.08617	0.5
131.01926	1.0
136.07573	22.8
137.05963	4.2
137.07808	0.4
145.03374	0.5
154.08624	100.0
155.09016	2.4
160.04579	0.5
172.09679	69.7
173.10019	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.9561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74181	0.2
55.05506	1.4
55.93511	0.7
56.96547	1.9
57.03415	0.4
60.14182	0.3
61.02903	0.4
63.11118	0.3
68.56776	0.3
69.03420	0.8
69.60701	0.2
70.95847	0.8
71.62244	0.3
71.62648	0.4
72.93779	4.0
77.00781	0.5
81.03462	0.3
83.00773	0.5
83.04971	1.2
89.00765	0.6
90.90371	91.6
90.94816	2.7
91.90398	0.8
92.01296	0.3
94.51552	0.3
96.01516	0.3
98.01270	1.9
98.97601	1.4
101.05995	1.0
102.01540	0.7
103.03255	0.7
103.47524	0.6
107.01804	2.6
108.02026	0.3
108.91394	5.2
108.92126	0.3
108.95839	0.5
109.52066	0.5
111.02039	2.4
111.04444	1.7
111.98457	0.9
112.48018	0.9
112.99055	0.3
113.52296	0.3
113.96376	1.8
116.98602	0.8
118.52568	0.6
120.02571	4.9
122.52812	0.4
126.92440	1.1
129.03088	10.6
129.05492	0.9
129.53235	0.8
129.99478	0.3
131.08549	0.9
131.52350	0.3
131.53342	1.1
131.92973	29.4
131.97415	1.6
132.93335	0.3
132.95793	1.7
134.99561	0.3
138.03577	2.0
139.46681	0.3
140.53868	4.2
143.08627	0.3
145.10110	0.3
148.47232	0.9
148.97705	0.4
149.54425	0.5
149.94028	100.0
150.94183	1.2
150.96858	2.9
152.04689	0.7
155.07030	1.3
155.97380	0.7
158.10907	0.3
159.98106	0.4
167.93636	0.4
167.95081	10.9
167.97093	1.6
172.95628	15.1
173.08208	3.6
173.13199	0.9
173.95810	0.4
173.98444	1.2
173.99850	0.3
190.96687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1377
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03945	1.8
55.01861	15.8
55.05259	2.3
55.05501	32.1
57.03428	48.3
57.07068	8.5
57.07299	1.4
59.04972	3.7
62.18204	1.5
65.03920	2.5
67.05492	36.7
69.03393	5.4
69.07056	81.8
70.73827	3.4
70.74162	2.3
71.04980	16.7
72.04138	2.1
72.04506	22.8
73.06539	3.6
79.05467	11.0
81.07038	32.0
83.04972	18.2
83.08604	32.8
85.02876	2.1
85.06526	14.5
87.08046	2.0
89.07135	19.0
90.73637	1.8
91.05441	4.6
93.07034	18.1
95.04942	4.9
95.08602	15.6
97.06517	27.3
97.10159	3.6
99.04457	1.8
99.08060	4.0
101.05988	4.0
105.07011	3.8
107.08573	24.0
109.06473	3.1
109.10134	86.4
111.04424	7.2
111.08064	24.8
111.11644	1.4
115.05391	2.6
115.07491	2.0
123.11674	6.9
125.05968	3.6
125.09605	11.0
127.11175	29.2
128.06200	9.4
129.06961	5.8
135.08061	2.4
135.11682	17.2
139.00235	3.7
139.03856	5.7
141.06961	18.2
141.12703	5.5
142.07710	4.8
143.08531	23.6
153.01857	1.8
153.09134	7.5
153.12721	29.5
155.08495	4.3
156.09320	100.0
157.01221	3.4
157.09674	3.0
171.02924	3.6
171.05463	2.3
171.06746	2.0
171.08031	3.8
171.10162	5.0
171.11652	96.8
171.13661	4.8
171.14929	21.1
172.12082	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	171.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01861	15.8
55.05259	2.3
55.05501	32.1
57.03428	48.3
57.07068	8.5
57.07299	1.4
59.04972	3.7
62.18204	1.5
65.03920	2.5
67.05492	36.7
69.03393	5.4
69.07056	81.8
70.73827	3.4
70.74162	2.3
71.04980	16.7
72.04138	2.1
72.04506	22.8
73.06539	3.6
79.05467	11.0
81.07038	32.0
83.04972	18.2
83.08604	32.8
85.02876	2.1
85.06526	14.5
87.08046	2.0
89.07135	19.0
90.73637	1.8
91.05441	4.6
93.07034	18.1
95.04942	4.9
95.08602	15.6
97.06517	27.3
97.10159	3.6
99.04457	1.8
99.08060	4.0
101.05988	4.0
105.07011	3.8
107.08573	24.0
109.06473	3.1
109.10134	86.4
111.04424	7.2
111.08064	24.8
111.11644	1.4
115.05391	2.6
115.07491	2.0
123.11674	6.9
125.05968	3.6
125.09605	11.0
127.11175	29.2
128.06200	9.4
129.06961	5.8
135.08061	2.4
135.11682	17.2
139.00235	3.7
139.03856	5.7
141.06961	18.2
141.12703	5.5
142.07710	4.8
143.08531	23.6
153.01857	1.8
153.09134	7.5
153.12721	29.5
155.08495	4.3
156.09320	100.0
157.01221	3.4
157.09674	3.0
171.02924	3.6
171.05463	2.3
171.06746	2.0
171.08031	3.8
171.10162	5.0
171.11652	96.8
171.13661	4.8
171.14929	21.1
172.12082	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	171.1378
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03936	2.6
54.50887	1.1
55.01865	14.3
55.05254	1.8
55.05504	26.0
57.03430	52.0
57.07071	5.9
59.04980	2.3
61.16470	1.1
65.03942	2.1
67.05495	39.3
69.03418	4.6
69.07059	60.5
71.04984	17.7
71.62318	1.7
72.04512	15.0
73.02904	2.6
73.06544	7.3
79.05470	11.0
81.03385	1.2
81.07046	32.4
83.04971	12.0
83.08611	30.9
85.02899	2.1
85.06521	11.6
89.07139	14.1
91.05482	2.5
93.07027	15.4
95.04969	3.4
95.08599	12.4
97.06522	19.1
97.10158	1.3
99.08075	3.3
101.06023	2.3
105.07001	2.4
107.08575	18.3
109.06448	1.2
109.10143	100.0
110.10477	1.4
111.04426	7.2
111.08067	17.4
113.09600	2.0
115.05437	2.0
123.11720	6.2
125.05985	2.5
125.09629	6.4
127.11178	29.0
127.12107	1.5
128.06209	4.6
129.05562	1.3
129.06993	2.0
130.08629	1.1
135.07959	2.5
135.10783	1.8
135.11691	15.2
139.00223	3.5
139.03896	4.9
141.06972	3.8
141.12718	10.2
142.07710	2.2
143.08548	7.6
153.01819	1.5
153.05516	1.1
153.09094	6.5
153.12738	22.7
154.08606	2.6
155.08589	1.5
156.09325	27.0
171.02815	2.6
171.05594	1.6
171.07964	5.5
171.10132	2.9
171.11679	26.8
171.13716	4.5
171.14969	17.5
172.09718	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	171.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
53.30610	0.3
55.01863	1.0
55.05501	18.9
57.03415	0.9
59.02866	0.3
59.05000	0.4
65.03924	0.6
67.05500	0.9
69.03423	0.7
69.07059	1.7
71.01340	0.3
71.04983	4.4
71.62748	0.5
72.04506	9.6
81.03399	0.4
81.07036	0.6
83.01366	0.3
83.04967	100.0
83.08604	4.2
84.05299	1.6
85.02886	1.3
85.06559	0.3
89.06586	0.6
89.07142	8.8
93.07032	0.5
95.08597	0.6
97.06550	0.6
97.10133	0.5
99.04429	0.4
107.08573	0.8
109.06525	0.4
109.10139	0.5
111.04424	24.9
111.08052	0.3
112.04802	0.3
113.05996	0.6
125.05924	0.3
125.09636	0.4
128.06206	1.1
129.05450	2.4
129.06972	0.6
135.11700	0.5
139.03920	0.5
141.06953	0.6
142.07790	0.4
143.08588	1.8
153.01863	1.1
153.09045	0.5
153.12685	0.4
154.08694	0.3
156.09282	2.8
157.01399	0.6
171.02919	1.9
171.05460	0.3
171.06534	3.0
171.08014	0.9
171.10179	0.6
171.11652	4.7
171.14905	9.6
171.16293	0.6
177.74045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0649
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
53.03936	0.8
55.01858	2.6
55.05509	2.6
56.96560	0.3
65.03928	19.1
67.05492	1.5
68.99783	6.5
69.03413	0.9
69.07047	0.9
70.19116	1.5
71.04978	0.8
72.04498	1.0
79.05458	0.4
81.03400	2.9
81.07039	0.3
83.01324	0.5
83.04969	8.8
83.08618	0.4
89.07135	1.0
93.03390	5.9
93.07019	0.4
95.04952	0.9
96.02071	0.9
96.46061	0.4
97.02882	1.3
97.06506	0.6
98.20840	0.6
107.08597	0.7
111.04422	72.2
112.04737	0.5
113.03815	0.3
121.02866	1.0
121.03967	4.0
125.09605	0.6
138.54126	0.8
139.03877	100.0
140.04224	1.7
147.54648	0.6
153.01817	0.4
153.09119	0.5
156.04007	0.4
156.09286	0.4
157.01341	0.7
171.06502	8.4
171.14923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
53.30610	0.3
55.01863	1.0
55.05501	18.9
57.03415	0.9
59.02866	0.3
59.05000	0.4
65.03924	0.6
67.05500	0.9
69.03423	0.7
69.07059	1.7
71.01340	0.3
71.04983	4.4
71.62748	0.5
72.04506	9.6
81.03399	0.4
81.07036	0.6
83.01366	0.3
83.04967	100.0
83.08604	4.2
84.05299	1.6
85.02886	1.3
85.06559	0.3
89.06586	0.6
89.07142	8.8
93.07032	0.5
95.08597	0.6
97.06550	0.6
97.10133	0.5
99.04429	0.4
107.08573	0.8
109.06525	0.4
109.10139	0.5
111.04424	24.9
111.08052	0.3
112.04802	0.3
113.05996	0.6
125.05924	0.3
125.09636	0.4
128.06206	1.1
129.05450	2.4
129.06972	0.6
135.11700	0.5
139.03920	0.5
141.06953	0.6
142.07790	0.4
143.08588	1.8
153.01863	1.1
153.09045	0.5
153.12685	0.4
154.08694	0.3
156.09282	2.8
157.01399	0.6
171.02919	1.9
171.05460	0.3
171.06534	3.0
171.08014	0.9
171.10179	0.6
171.11652	4.7
171.14905	9.6
171.16293	0.6
177.74045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	2.3
53.03935	2.4
53.66497	1.1
55.05498	18.0
57.07056	4.3
59.04973	4.2
67.05492	28.8
69.03403	2.7
69.07053	21.7
69.59205	2.5
69.59608	8.2
71.04581	2.3
71.04980	45.8
71.08614	1.7
71.36788	1.0
73.06548	16.6
73.49406	1.1
78.04680	3.8
78.94127	1.0
79.05479	15.9
81.07043	36.5
83.04946	3.5
83.08595	8.0
85.06519	1.9
91.05431	6.8
93.07028	39.5
95.04967	2.6
95.08589	100.0
96.08913	2.3
97.06497	5.0
98.21451	2.6
105.06988	5.1
106.04137	1.9
107.04958	1.8
107.08577	45.1
109.06490	2.6
109.10135	25.6
109.69961	1.1
111.08063	3.7
121.02866	2.1
121.10121	24.0
123.04420	8.4
123.08051	1.9
123.11702	7.5
124.05188	1.8
125.09605	3.4
128.83774	1.0
139.07518	1.1
149.13229	36.6
150.13554	1.2
151.03914	1.9
160.58159	1.2
167.05618	2.8
167.07022	41.7
167.10628	1.8
167.14278	15.6
168.07362	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1429
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
50.40391	1.7
53.00302	2.5
55.05506	14.2
57.07060	5.0
59.04975	2.1
67.05499	26.8
69.03419	2.1
69.07053	18.4
69.65486	13.3
69.65823	2.8
71.04984	50.7
73.06550	21.9
79.05487	16.5
81.07044	40.2
83.08604	7.5
85.06544	2.7
91.05458	6.4
93.07030	37.8
95.04945	2.6
95.08595	100.0
96.08894	2.4
97.06501	6.5
97.10213	2.5
105.07016	3.5
107.08587	48.2
109.10152	30.3
111.08044	4.0
121.10137	22.4
123.04412	2.2
123.11698	7.0
125.09618	2.3
149.13231	34.8
167.07004	4.3
167.14310	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	169.0493
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03940	1.2
55.01855	1.1
55.05500	5.5
57.03412	2.2
57.07061	1.8
59.04981	1.4
65.03919	2.9
67.01859	1.2
67.05495	11.8
68.99778	4.5
69.03418	2.7
69.07059	6.7
71.04637	1.1
71.04984	12.7
71.17899	1.7
79.05481	5.1
81.02973	1.0
81.03407	12.9
81.07043	27.6
83.04948	3.8
85.02893	1.9
85.06512	2.8
91.05470	3.0
93.03334	0.8
93.07018	5.0
95.04947	6.9
95.08587	9.5
97.02888	1.7
97.06506	2.8
98.03651	3.4
99.04430	2.7
99.08080	1.6
105.07008	5.0
107.08582	9.6
108.02078	1.0
109.02867	29.8
109.06501	6.3
109.10144	22.1
110.10461	0.9
111.00779	15.9
111.04465	3.9
111.08064	8.0
113.05978	1.7
118.67377	1.1
121.10140	0.9
123.04411	13.3
123.08067	8.3
123.11684	20.8
124.01573	1.0
124.07567	0.8
125.09604	1.6
126.03119	32.9
127.03937	5.2
127.07561	1.3
127.11137	1.2
128.95084	1.1
133.06493	1.2
133.10114	5.3
137.02348	1.4
139.11147	2.3
141.05444	100.0
142.05809	2.2
151.03882	19.1
151.05084	1.2
151.07539	2.3
151.11163	7.6
152.06990	1.3
152.81334	0.8
154.02597	6.8
169.04941	93.5
169.07498	5.1
169.08633	2.8
169.12187	7.6
170.05318	2.7
170.09637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.122
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03946	3.2
55.01854	3.8
55.05495	16.5
57.01788	1.5
57.03417	4.3
57.07067	7.4
58.58074	1.4
59.04974	7.0
65.03930	6.4
67.05492	29.4
68.99767	6.3
69.03405	6.2
69.07057	18.8
71.04979	63.7
71.61227	2.5
73.06548	1.8
79.05486	16.4
81.03415	11.2
81.07040	100.0
82.07349	1.8
83.04968	18.6
83.08594	3.6
85.02874	10.1
85.06538	6.1
89.06023	2.2
91.05461	7.1
92.60502	1.8
93.07014	18.6
95.04946	15.3
95.08599	23.5
97.06513	7.4
97.10134	2.0
98.03657	3.2
99.04431	7.2
99.08079	10.6
105.07007	10.6
107.08575	24.7
109.02861	25.8
109.06496	16.5
109.10139	51.0
111.00796	12.4
111.04431	7.7
111.08059	19.6
113.05990	3.1
121.10126	4.5
123.04391	7.2
123.08060	14.8
123.10801	3.6
123.11683	61.3
124.12094	2.1
125.05927	7.6
125.09612	5.4
126.03114	25.2
126.68486	1.4
126.74599	1.5
127.03864	5.2
127.07526	4.0
127.11144	2.4
133.10124	9.8
134.06042	2.0
139.11160	14.1
141.05435	67.7
142.05817	2.8
151.03885	10.6
151.07495	6.1
151.11163	25.4
154.02599	2.9
169.04941	41.7
169.07356	12.7
169.08626	4.9
169.12202	18.6
170.05426	1.9
170.09627	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	167.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.6
55.01848	1.4
55.05499	30.6
57.03406	1.5
57.07054	1.7
59.04980	3.1
62.12442	0.4
65.03918	0.7
66.04681	0.7
67.05495	6.0
69.03416	8.3
69.07060	4.3
70.87489	1.0
70.87841	0.6
71.04984	1.2
72.79501	0.4
77.84457	0.4
78.04703	9.1
79.05042	0.6
79.05477	5.3
81.03391	1.1
81.07033	5.8
83.04964	33.1
83.08600	14.7
85.06527	3.6
91.05456	1.9
93.03370	0.8
93.07027	4.6
94.04153	0.5
95.04945	3.5
95.08573	4.0
96.05746	0.8
97.06506	2.9
97.10144	4.2
99.08055	1.1
105.03338	0.6
105.07005	1.5
106.04140	4.0
107.04961	1.6
107.08574	7.6
109.02819	1.6
109.06503	3.2
109.10133	8.4
110.10540	0.6
111.04414	1.0
111.07341	0.8
111.08064	10.5
112.08858	2.6
113.09604	1.4
121.01669	2.1
121.02829	2.7
121.06465	1.6
121.10119	6.0
122.03641	0.5
123.04407	19.5
123.05312	1.0
123.08030	1.4
123.11674	4.4
124.05205	6.8
125.09604	5.8
131.08510	0.6
132.18672	0.4
134.03581	1.3
135.04358	0.8
137.05972	0.8
137.09631	0.7
139.07526	1.0
139.11163	0.5
140.06996	0.6
144.03215	1.6
149.02309	4.0
149.05949	0.8
149.09590	1.4
149.13234	2.7
151.03845	4.2
152.04633	3.7
162.04224	0.7
167.07002	100.0
167.10614	2.7
167.14282	21.2
167.15771	0.8
168.04126	0.5
168.07436	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1428
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03920	4.3
53.76729	1.0
55.01849	2.6
55.05504	99.6
56.49436	1.1
57.03407	2.6
57.07050	3.6
59.04989	12.3
59.11243	1.1
60.42057	1.0
67.05492	13.7
69.03072	1.6
69.03422	24.4
69.07055	11.4
69.56826	8.0
71.04983	3.6
78.04671	1.8
79.05472	4.0
81.07043	13.0
83.04969	100.0
83.08606	42.3
84.05276	1.7
85.06532	10.0
91.05472	5.4
93.07024	7.7
95.04937	2.2
95.08594	9.3
97.06516	5.3
97.10157	14.5
99.08092	3.4
105.07033	3.2
107.08587	18.2
109.02814	1.3
109.10146	26.4
111.08064	32.5
112.08850	9.9
113.09637	4.8
121.10121	14.4
122.57997	1.3
123.04429	2.7
123.08062	1.1
123.11703	11.5
124.05154	1.8
125.09615	18.1
149.09520	1.9
149.13217	8.5
151.03865	2.0
167.07011	20.3
167.14294	71.0
168.14656	3.2
173.24202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1064
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.00309	0.6
53.03942	2.5
55.01861	1.9
55.05502	9.2
57.03428	0.9
57.07059	1.2
59.04991	3.6
65.03918	0.6
66.74670	0.6
67.05489	4.7
69.03413	3.3
69.07056	33.7
69.91730	3.1
71.04991	1.3
78.04692	4.4
79.05479	17.8
81.03423	1.5
81.07041	15.0
82.07400	0.7
83.04967	4.9
83.08606	2.0
85.02903	0.8
91.05460	10.0
93.07028	74.8
94.07370	1.5
95.04951	4.2
95.08592	13.9
97.06512	6.7
97.10181	0.7
98.20781	0.6
103.05483	1.3
105.03392	0.7
105.04472	0.8
105.07018	16.3
106.04149	1.0
106.07800	0.8
107.04920	3.0
107.08577	16.7
109.06483	3.4
109.10147	1.5
111.04436	1.9
111.08076	2.7
111.11698	6.3
119.08558	3.5
121.01729	0.7
121.02897	0.7
121.06512	5.9
121.10123	100.0
122.10455	2.2
123.04414	8.3
123.08035	7.1
123.11694	2.1
124.05193	1.7
125.05968	2.0
125.09618	2.0
131.08545	2.3
133.07603	1.4
135.04402	0.5
139.03976	0.8
139.07437	1.1
139.11157	4.5
144.03223	0.7
149.02307	0.9
149.05980	1.5
149.09596	16.7
149.13237	1.0
151.03893	0.9
152.04657	1.7
165.08862	0.6
167.07014	37.2
167.10655	41.5
167.14304	2.5
168.11037	1.2
185.51720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.01596	0.4
51.02364	0.5
53.03934	1.9
54.97421	0.4
55.01855	1.6
55.05508	3.1
57.03422	1.4
57.07061	1.2
59.04992	2.5
61.17048	0.4
65.03933	1.2
65.33871	0.4
66.04715	0.7
66.09771	0.4
67.05498	4.0
68.99801	0.4
69.03437	1.9
69.07054	3.6
71.04991	2.5
71.62243	0.5
71.62611	0.4
73.02919	0.8
75.04472	1.7
77.03918	0.4
78.04700	10.5
79.05480	16.1
80.05825	0.5
81.03396	0.9
81.07047	17.5
83.04964	2.3
83.08611	1.7
85.02920	0.4
85.06529	1.9
91.05478	6.2
93.03374	0.7
93.07030	31.8
94.04170	1.0
94.07350	0.5
95.04965	4.2
95.08595	10.4
95.92817	0.4
96.05746	1.0
97.02881	0.8
97.06515	3.5
97.10201	0.5
105.03365	0.7
105.04493	0.7
105.07007	6.4
106.04173	4.1
107.04945	6.6
107.08580	12.0
108.08923	0.6
109.02847	1.0
109.06508	5.5
109.10149	1.5
111.04436	2.1
111.08055	5.0
119.04935	0.4
119.08549	0.8
121.01617	0.6
121.02884	1.0
121.06503	3.7
121.10126	60.1
122.03623	1.0
122.10472	1.6
123.04408	19.1
123.08038	2.9
123.11684	8.0
124.05222	7.0
125.05971	5.6
125.09597	1.9
131.08559	2.4
133.07626	0.7
134.03635	1.4
135.04382	2.2
137.05936	0.8
139.07513	1.7
139.11157	7.1
140.07011	0.4
144.03210	0.7
149.02351	1.1
149.04980	0.7
149.06015	1.0
149.08394	0.5
149.09604	8.4
149.13252	1.7
151.03882	4.0
152.04651	4.6
167.07016	100.0
167.10651	12.7
167.14270	2.0
168.04178	0.5
168.07375	2.8
176.49353	0.4
181.04735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.07
Annotation	Ethylparaben
Peak:m/z	Relative Intensity
53.03936	1.1
55.01857	1.4
55.05507	5.3
57.03426	0.8
57.07064	0.6
59.04992	1.2
65.03927	2.1
66.04697	0.7
67.05499	2.8
68.99780	0.4
69.03422	2.4
69.07055	1.6
69.89072	1.9
71.04979	0.7
73.02906	11.1
77.03938	0.5
78.04698	9.2
79.05486	4.2
81.03414	0.6
81.07043	3.2
83.04968	5.3
83.08610	2.5
85.02890	0.5
85.06537	1.0
88.23994	0.4
91.05466	3.8
93.03397	0.7
93.07031	4.3
94.04176	0.5
95.04955	6.3
95.08590	1.5
96.05730	1.1
97.06514	1.2
97.10174	0.7
98.20809	0.6
102.55813	0.4
103.05458	0.6
105.03352	0.6
105.06992	1.4
106.04171	4.4
107.04926	2.5
107.08585	5.4
108.08810	0.4
109.02869	1.7
109.06522	1.9
109.10143	3.0
109.28457	0.4
111.04430	2.7
111.08054	2.4
119.04919	5.1
119.08365	0.3
121.02847	92.0
121.06487	5.5
121.10126	5.3
122.03197	1.6
123.04412	17.9
123.05315	0.9
123.08026	1.2
123.11687	1.4
124.05221	5.5
125.05971	1.1
125.09605	1.7
131.08565	0.7
134.03609	1.1
135.04414	0.8
137.02364	0.5
137.05966	1.6
139.02719	0.4
139.03854	0.4
139.07539	0.9
139.11179	0.9
144.03221	1.5
149.02318	1.5
149.05960	27.5
149.09613	1.4
149.13249	0.8
150.06271	0.6
151.03871	4.4
152.04642	4.6
162.04295	0.5
167.07011	100.0
167.10660	2.5
167.14281	4.1
168.04306	0.5
168.07388	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	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02382	0.2
52.03135	0.4
52.14581	0.2
53.03920	0.7
55.01871	0.2
55.05498	0.7
65.03919	0.6
66.04697	0.4
67.05484	0.7
68.99776	0.2
69.03414	0.7
70.46735	0.2
70.58529	0.8
71.98220	0.2
73.02893	0.6
74.55022	0.2
75.72032	0.3
77.03927	0.2
78.04701	10.0
79.05044	0.3
79.05476	2.8
81.03397	0.6
81.07053	1.0
83.04971	0.7
83.08604	0.3
85.02885	0.5
91.05450	1.0
93.03387	0.5
93.07030	1.0
94.04176	0.5
95.04964	1.8
95.08588	0.3
96.05732	0.8
97.06507	0.4
105.03372	0.7
105.04489	0.3
105.07001	0.4
106.04162	5.0
107.04981	1.2
107.08615	1.1
107.09203	0.2
109.02875	1.1
109.06518	0.5
110.03659	0.3
111.04433	0.6
111.08080	0.6
119.04893	0.5
120.02039	0.3
121.02863	5.5
121.06484	1.0
121.10130	1.0
122.03661	1.0
123.04413	19.3
124.05221	5.9
134.03601	1.1
135.04356	0.5
137.02306	0.4
137.05956	1.1
138.03096	0.2
139.03836	0.4
139.07523	0.4
139.11157	0.4
144.03206	0.3
149.02312	1.1
149.05951	1.3
149.09596	0.5
151.03876	3.8
152.04660	4.1
165.05489	0.2
167.07018	100.0
168.04152	0.5
168.07343	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	166.0863
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03942	0.2
58.63692	0.1
69.07050	0.2
69.62595	1.1
70.03753	0.2
79.05495	1.1
86.03204	0.1
91.05479	0.6
93.07056	1.7
97.02822	0.2
103.05463	7.4
104.05750	0.2
107.04949	2.0
119.01925	0.3
120.02047	0.5
120.08099	100.0
121.01692	0.2
121.06503	0.2
121.07657	0.2
121.08438	2.9
123.04411	0.2
131.04916	2.5
138.03065	0.2
143.01923	0.2
143.03587	0.7
144.03270	0.3
149.05971	1.0
151.21535	0.1
161.02888	0.2
161.04659	0.2
166.05020	0.2
166.07346	0.3
166.08636	2.6
167.06995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.68581	0.2
50.93833	0.2
51.33956	0.2
51.78202	0.2
52.03149	0.3
52.26376	0.2
53.03930	0.5
65.03919	0.5
66.04714	0.5
67.05488	0.4
68.99743	0.2
69.07047	0.3
71.00516	0.3
71.00862	0.3
74.20586	0.2
77.03898	0.4
77.90444	0.2
78.04700	10.7
79.05052	0.4
79.05473	2.2
81.03384	0.4
81.07021	0.7
83.04948	0.2
91.05499	0.4
93.03368	0.5
93.07030	0.2
94.04159	0.4
95.04955	1.6
96.05717	0.7
97.06526	0.3
105.03387	0.8
106.04163	5.1
107.04935	0.8
107.08545	0.3
109.02879	1.2
110.03642	0.3
111.08089	0.3
119.04948	0.4
120.02010	0.3
121.01635	0.5
121.02881	0.4
121.10061	0.2
122.03649	1.3
123.04411	18.8
124.05210	5.0
134.03642	1.1
135.04391	0.7
137.02283	0.3
137.05966	1.2
138.03061	0.4
139.07504	0.4
144.03214	0.4
151.03893	3.4
152.04660	4.2
167.07013	100.0
168.04179	0.3
168.07352	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	165.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
51.05354	0.5
53.03934	4.0
55.01859	4.6
55.05502	10.1
57.03431	14.3
57.07061	3.1
57.35914	0.5
59.04995	1.9
61.02916	7.6
65.03945	2.8
67.05494	26.3
69.03419	62.3
69.07057	7.0
70.03762	1.2
71.04980	4.0
71.62019	0.9
73.02908	3.6
79.05478	6.7
81.03406	19.0
81.07046	21.8
82.07364	0.6
83.04971	21.2
83.08611	1.5
84.05305	0.6
85.02893	17.0
85.06536	1.4
87.04468	2.4
88.75467	0.4
91.03952	1.4
91.05466	18.0
92.05817	0.8
93.07027	9.3
95.04955	15.4
95.08591	20.7
97.06518	1.2
98.30303	0.5
99.04424	4.4
101.00859	1.1
101.05992	0.5
103.03925	3.9
103.05459	1.0
105.03386	0.6
105.07014	12.8
106.07272	0.5
107.04951	0.8
107.08583	12.8
109.06503	17.0
109.10141	29.3
110.07301	0.8
110.10494	0.8
111.04425	8.4
111.08081	0.8
117.06988	1.4
119.01915	5.4
119.04922	30.2
119.08562	17.7
120.05273	1.6
120.08100	1.4
121.06522	1.0
121.10122	13.2
122.07249	1.4
123.04414	2.2
123.08054	17.9
123.11692	10.3
124.12013	0.5
129.05457	6.3
133.02835	1.6
135.08105	0.8
135.11681	0.5
136.07535	0.6
137.02956	2.3
137.05984	2.6
137.07893	4.8
137.09593	64.3
137.13168	3.6
138.09979	2.0
142.03481	5.7
142.96667	1.0
145.10066	0.6
147.04390	72.7
147.06448	2.6
147.07948	3.0
147.11665	12.8
148.04758	3.5
150.10390	0.5
160.04550	1.5
165.01842	0.9
165.05547	3.4
165.07571	1.4
165.09097	8.4
165.12726	100.0
166.04956	0.9
166.13060	4.6
169.43764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
52.21947	0.3
53.03945	1.0
55.01865	2.0
55.05503	4.8
57.03428	5.7
57.07063	2.0
59.94316	0.4
61.02924	2.7
63.02379	0.4
65.03935	1.1
66.61265	0.3
67.05494	11.7
68.05800	0.5
69.03419	16.6
69.07063	2.9
71.04983	1.6
71.08628	1.0
73.02894	1.5
79.05489	4.1
81.03403	2.7
81.07046	11.4
83.04971	8.0
83.08610	1.4
85.02891	6.0
85.05540	0.4
87.04450	0.9
91.03950	0.6
91.05469	9.4
92.05807	0.4
93.07033	7.5
94.04177	0.4
95.04955	5.6
95.08594	10.5
98.20689	0.7
99.04452	1.5
103.03918	1.6
103.05467	0.5
105.07026	8.0
106.07327	0.7
107.04923	0.7
107.08580	9.7
109.06500	13.5
109.10141	14.1
110.06809	0.5
110.10446	0.5
111.04424	3.2
112.26491	0.4
117.07010	0.9
119.01898	0.6
119.04922	10.5
119.08567	12.5
120.08875	0.6
121.06488	0.7
121.10123	15.4
122.07263	5.5
122.10452	0.9
123.04424	1.1
123.08047	8.0
123.11698	4.0
129.05441	1.8
133.02870	0.7
135.08061	1.4
137.09595	100.0
137.13229	1.5
138.09924	3.4
142.03490	1.2
147.04388	23.4
147.06392	0.9
147.08040	1.0
147.11665	4.9
148.04724	1.3
150.10391	3.1
165.01848	0.9
165.05505	1.1
165.09079	3.1
165.12732	40.4
166.13091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.00300	1.2
53.03938	4.0
55.01866	6.6
55.05503	12.4
57.03429	23.3
57.07074	1.0
59.05000	1.4
60.59939	0.7
61.02911	11.8
61.03202	0.8
65.03947	1.1
67.05492	12.7
67.05821	1.1
69.03419	77.7
69.07071	3.7
70.03765	1.3
71.01344	0.9
71.04584	1.6
71.04980	32.9
71.61529	1.4
73.02905	5.0
73.39001	0.6
75.04503	0.9
77.03914	1.0
79.05482	37.6
80.05808	0.8
81.03402	11.9
81.07045	20.3
83.04967	29.4
84.05305	0.8
85.02892	29.1
85.06550	1.6
87.04444	4.0
91.03960	2.6
91.05468	28.4
92.05795	0.7
93.07032	18.1
94.07405	0.8
95.01299	1.4
95.04948	8.2
95.08597	15.4
95.09153	1.2
97.06511	1.0
99.04447	7.4
101.00866	1.9
103.03924	5.8
103.05426	1.7
104.03502	0.7
105.03381	2.0
105.04490	0.8
105.07016	18.6
106.07391	0.9
107.04948	1.6
107.08577	21.1
107.09277	1.6
109.02865	4.5
109.06496	9.0
109.10135	10.9
110.00768	0.6
111.04419	14.3
114.02962	0.8
114.33851	0.7
117.07011	1.2
117.99934	0.7
119.01916	12.2
119.04924	35.8
119.08565	20.3
120.05230	1.1
120.08094	2.6
120.08884	0.9
121.10131	7.5
122.07295	1.4
123.04443	4.2
123.08047	11.3
123.11693	7.7
129.05470	12.1
133.02844	2.2
133.06485	1.2
137.02969	3.9
137.05963	5.1
137.09593	10.8
137.13234	2.7
138.05525	1.4
142.03485	8.9
142.96672	0.9
147.04388	100.0
147.06441	3.8
147.08008	6.6
147.11668	17.8
148.02151	8.2
148.04729	4.4
148.11932	0.7
160.04521	3.2
165.01765	1.1
165.05501	6.1
165.07739	0.9
165.09085	16.3
165.10492	1.1
165.12733	26.2
165.14116	1.3
166.03192	1.3
166.05038	1.0
166.08492	0.8
166.13095	1.5
166.35892	0.9
183.44011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
50.29692	0.5
53.03937	2.3
55.01857	7.8
55.05498	14.9
55.36565	0.5
57.03427	29.1
57.07058	0.5
59.04988	1.2
61.02914	17.9
65.03931	2.3
67.05491	20.9
69.03416	100.0
69.07045	3.5
70.03752	2.2
70.74781	0.6
70.75127	1.2
71.01346	1.0
71.04977	8.8
73.02908	7.4
73.41637	0.5
75.04458	1.2
76.44051	0.5
78.34187	0.5
79.05478	14.2
81.02967	0.9
81.03404	10.4
81.07042	35.6
82.07347	0.5
83.01324	0.5
83.04964	38.3
83.08619	0.8
83.92982	0.7
84.05305	1.1
85.02887	35.0
85.06526	2.2
87.04459	4.8
91.03950	3.6
91.05465	21.6
93.07025	18.4
95.04945	8.0
95.08590	12.3
97.06510	3.7
99.04433	11.6
100.02474	0.6
101.00852	1.1
101.02598	0.5
101.06003	0.7
103.01858	0.5
103.03928	8.7
103.05439	0.6
105.07008	30.2
107.04877	0.7
107.08577	12.8
109.06500	5.8
109.10133	6.7
111.04426	18.7
111.05193	1.0
112.04712	1.1
117.05415	0.5
117.07008	1.0
119.01897	8.4
119.04924	15.0
119.08562	27.1
120.05245	0.9
120.08088	1.4
120.08887	0.7
121.06491	1.1
121.10120	27.9
122.07271	1.6
122.10468	0.6
123.04384	1.8
123.08076	4.3
123.11669	5.6
129.05455	13.3
130.05867	0.6
132.54926	0.6
133.02856	0.9
137.02942	3.4
137.05963	1.1
137.08533	0.6
137.09598	10.0
137.10603	0.3
137.13168	0.5
138.02997	0.5
138.09933	0.8
142.03479	7.0
142.96690	3.5
145.10124	1.7
147.04388	38.5
147.06471	7.0
147.07787	0.8
147.11656	52.1
148.04761	1.4
148.11980	3.1
160.04491	2.3
165.01833	5.9
165.04227	0.8
165.05400	2.1
165.07588	1.8
165.09068	22.3
165.12721	43.5
166.04906	1.2
166.13022	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03938	0.9
55.01859	2.4
55.05510	3.7
57.03428	5.7
57.07063	1.7
59.04981	0.9
61.02910	2.9
63.15185	0.5
65.03922	1.4
67.05495	9.6
69.03418	15.8
69.07061	3.6
69.46162	2.5
69.46590	1.7
70.03733	0.5
71.04975	1.6
71.08625	0.8
73.02909	1.3
79.05479	3.9
81.03399	2.2
81.07040	11.3
83.04970	8.2
83.08594	1.5
84.72605	0.4
85.02892	5.8
85.06554	0.5
87.04460	0.8
91.05466	16.5
93.07021	7.1
95.04960	5.1
95.08597	10.5
97.06519	0.5
98.20736	0.9
99.04439	2.5
103.03912	1.4
103.22124	0.4
105.07013	8.3
107.04920	1.0
107.08571	9.9
109.06496	13.1
109.10146	12.1
111.04415	2.8
112.83939	0.4
117.07021	0.4
119.01888	1.6
119.04922	27.0
119.08556	12.2
120.05247	0.8
120.08910	0.6
121.06486	1.0
121.10123	20.4
122.07272	4.9
122.10423	0.6
123.04424	1.6
123.08042	8.4
123.11659	3.6
129.05429	2.4
133.02856	0.8
135.08017	1.4
137.09592	100.0
137.13170	1.7
138.09927	3.2
142.03435	1.0
145.10109	0.8
147.04384	69.4
147.10590	0.8
147.11655	6.8
148.04689	3.9
150.10388	2.9
165.05458	2.3
165.09047	2.7
165.12723	41.9
166.13080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02359	0.9
53.03919	2.4
55.01860	3.6
55.05499	12.9
57.03426	18.5
57.07069	4.8
59.04987	3.8
59.82323	0.7
61.02911	7.6
62.87853	0.7
65.03922	2.8
66.04674	0.7
67.05488	22.3
68.44794	0.7
69.03416	58.7
69.07050	7.5
70.03735	1.0
71.04977	5.7
71.52158	1.4
73.02894	4.1
76.47515	0.8
78.69425	0.7
79.05480	11.1
80.72810	0.7
81.03400	8.5
81.07040	28.6
82.07382	0.9
83.04966	19.1
83.08595	3.3
85.02886	19.3
87.04440	2.8
91.03930	2.2
91.05463	21.5
92.05752	0.9
93.07022	9.6
95.04951	40.6
95.08585	27.4
95.09050	0.4
96.05299	0.7
96.08960	0.7
97.53145	0.7
99.04434	5.5
101.00848	1.1
103.03930	4.7
103.05432	1.5
105.03364	1.2
105.07011	19.5
107.04929	4.5
107.08572	45.4
108.05694	1.1
108.08884	1.8
109.06492	23.8
109.09367	1.0
109.10123	5.9
110.07307	1.5
111.04420	9.3
117.06987	3.0
117.23608	0.7
119.01894	6.0
119.04919	20.6
119.08560	33.5
120.05193	0.8
120.08092	1.4
120.08894	1.4
121.06488	1.7
121.10119	12.0
122.10490	0.7
123.04401	2.9
123.08043	35.7
123.11678	29.4
124.08385	0.9
124.12032	0.7
129.05450	7.8
129.06938	1.5
132.05711	2.0
133.02744	0.9
133.06490	1.2
135.11661	1.3
137.02953	1.7
137.05954	3.0
137.09589	8.2
137.12376	1.1
137.13252	6.9
141.09140	0.7
142.03462	6.4
147.04382	51.2
147.06352	2.1
147.06685	1.5
147.08015	18.1
147.09169	0.8
147.11650	14.5
148.04713	2.8
148.08418	1.0
148.12083	1.0
160.04567	2.0
165.05505	4.5
165.09074	15.6
165.12720	100.0
166.13043	3.2
180.92474	0.7
182.00957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01870	5.0
55.05510	9.8
56.05039	3.8
56.89928	0.4
57.03436	22.7
58.03748	0.5
58.99858	0.7
59.05001	0.5
61.02924	15.3
65.03934	0.7
67.05510	1.1
69.03426	80.1
69.91792	2.2
70.03761	0.8
71.01346	0.7
71.02981	0.5
71.04994	5.7
73.02917	6.8
74.02438	11.1
74.02846	0.8
75.02721	2.0
75.04462	0.6
77.00890	0.4
78.52982	0.5
81.03416	6.8
82.01440	0.8
82.99860	1.7
83.01536	0.7
83.04978	27.1
84.01210	0.5
85.02899	26.3
86.03290	0.4
86.52708	1.1
87.02718	0.5
87.04475	3.4
91.02478	0.8
91.03964	2.4
91.05459	0.5
92.52701	1.0
94.02669	1.1
95.04961	1.5
95.53230	1.0
97.02892	0.6
98.20811	0.6
99.04448	8.9
100.02473	4.9
101.00878	25.5
101.02547	2.1
101.06028	0.6
101.53196	0.7
102.00997	0.9
102.02232	1.0
102.05550	1.9
103.03257	0.8
103.03928	7.5
111.04436	13.6
112.03698	0.8
114.04056	1.1
114.53974	0.7
115.02436	0.8
117.05486	0.6
118.03529	2.7
119.01916	100.0
119.04824	2.1
120.01981	5.9
120.03275	0.7
120.08098	1.6
121.04245	0.7
123.04410	1.6
123.54510	0.9
124.02458	5.1
129.05472	11.9
132.05069	0.6
132.55037	0.8
133.03468	1.2
133.05086	0.6
137.02948	31.3
138.03058	1.4
142.03494	85.5
143.01901	0.8
143.03618	4.9
147.04420	3.5
147.06496	4.8
149.01593	0.4
149.02606	2.1
154.04691	0.8
156.05000	0.6
160.04556	28.6
161.02853	0.7
161.04723	1.9
165.05127	3.0
165.07574	1.2
165.08989	0.7
166.05313	1.1
168.99934	0.5
183.06122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1272
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02378	0.4
51.05354	0.5
53.03934	4.0
55.01859	4.6
55.05502	10.1
57.03431	14.3
57.07061	3.1
57.35914	0.5
59.04995	1.9
61.02916	7.6
65.03945	2.8
67.05494	26.3
69.03419	62.3
69.07057	7.0
70.03762	1.2
71.04980	4.0
71.62019	0.9
73.02908	3.6
79.05478	6.7
81.03406	19.0
81.07046	21.8
82.07364	0.6
83.04971	21.2
83.08611	1.5
84.05305	0.6
85.02893	17.0
85.06536	1.4
87.04468	2.4
88.75467	0.4
91.03952	1.4
91.05466	18.0
92.05817	0.8
93.07027	9.3
95.04955	15.4
95.08591	20.7
97.06518	1.2
98.30303	0.5
99.04424	4.4
101.00859	1.1
101.05992	0.5
103.03925	3.9
103.05459	1.0
105.03386	0.6
105.07014	12.8
106.07272	0.5
107.04951	0.8
107.08583	12.8
109.06503	17.0
109.10141	29.3
110.07301	0.8
110.10494	0.8
111.04425	8.4
111.08081	0.8
117.06988	1.4
119.01915	5.4
119.04922	30.2
119.08562	17.7
120.05273	1.6
120.08100	1.4
121.06522	1.0
121.10122	13.2
122.07249	1.4
123.04414	2.2
123.08054	17.9
123.11692	10.3
124.12013	0.5
129.05457	6.3
133.02835	1.6
135.08105	0.8
135.11681	0.5
136.07535	0.6
137.02956	2.3
137.05984	2.6
137.07893	4.8
137.09593	64.3
137.13168	3.6
138.09979	2.0
142.03481	5.7
142.96667	1.0
145.10066	0.6
147.04390	72.7
147.06448	2.6
147.07948	3.0
147.11665	12.8
148.04758	3.5
150.10390	0.5
160.04550	1.5
165.01842	0.9
165.05547	3.4
165.07571	1.4
165.09097	8.4
165.12726	100.0
166.04956	0.9
166.13060	4.6
169.43764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
53.03939	0.4
55.01863	1.9
55.05502	4.0
57.03427	7.9
59.04988	0.8
59.05634	0.2
60.85704	0.2
61.02913	4.8
65.03922	1.5
67.05493	5.7
69.03416	27.2
69.07053	0.7
69.42659	0.8
69.43090	0.9
70.03760	0.5
71.01337	0.3
71.04979	2.6
73.02906	2.3
75.04478	0.2
75.76529	0.2
79.05479	2.0
81.03400	3.2
81.07041	4.1
83.01324	0.2
83.04965	10.3
85.02889	9.7
85.03420	0.3
87.04440	1.3
91.03966	0.9
91.05465	18.0
92.05791	0.5
93.07025	1.7
95.04951	3.7
95.08588	3.6
97.06536	0.3
99.04446	2.7
101.00861	0.3
101.06030	0.2
103.03918	2.1
103.05457	0.4
105.07002	2.5
107.05013	0.2
107.08578	2.7
109.06490	1.6
109.10136	6.3
111.04424	5.1
117.07004	0.2
119.01942	1.6
119.04919	40.2
119.08549	3.9
119.09344	0.3
120.05219	1.1
120.08089	0.2
121.10113	1.7
122.07270	0.4
123.04409	2.1
123.08055	0.9
123.11696	1.0
129.05449	4.0
133.02811	0.4
137.02942	0.7
137.05986	0.8
137.09589	13.7
137.13202	0.4
142.03433	1.0
142.96638	0.3
147.04381	100.0
147.11665	2.7
148.04716	2.6
148.05780	0.2
154.35632	0.2
160.04509	0.5
165.01765	0.4
165.05447	2.9
165.06996	1.7
165.09056	3.5
165.12730	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	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03938	0.7
55.01867	1.5
55.05501	2.3
57.03432	4.3
61.02923	2.1
63.02364	0.2
65.03925	1.2
67.05502	0.9
69.03421	14.3
69.07051	0.6
70.03748	0.2
71.04978	1.5
71.53878	0.2
71.54222	0.1
73.02917	1.1
75.04460	0.3
77.03923	0.2
79.05489	2.3
81.03408	1.6
81.07066	0.9
83.04973	5.8
83.05448	0.4
85.02895	5.6
87.04469	0.9
91.03946	0.4
91.05470	18.4
92.05795	0.2
93.07039	1.1
95.04955	1.8
95.08586	0.8
99.04444	1.7
101.00875	0.4
103.03928	1.3
103.05462	1.0
105.03400	0.8
105.04507	0.2
105.07018	7.0
107.08602	0.5
109.06519	0.9
109.10140	0.6
111.04428	3.1
115.05473	0.2
119.01965	1.0
119.04930	41.0
119.08576	1.8
120.04515	0.3
120.05191	1.0
120.08127	0.3
121.06476	0.3
121.10128	0.5
122.03647	0.3
123.04423	1.4
123.08076	0.9
123.11674	0.2
124.05203	0.3
129.05475	2.2
133.02867	0.3
133.05464	0.3
133.06473	5.4
137.02954	0.5
137.05965	6.9
137.09554	0.9
137.13124	0.2
142.03471	1.2
147.04393	100.0
147.11661	0.8
148.04730	2.8
150.06744	0.3
160.04597	0.5
165.01883	0.2
165.05470	2.6
165.07722	0.3
165.09099	4.4
165.11465	0.2
165.12766	1.1
177.11148	0.2
179.67079	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	0.2
53.03937	0.5
55.01856	1.3
55.05498	2.9
57.03426	3.9
57.07082	0.2
59.04967	0.2
61.02911	2.0
65.03922	1.2
67.05474	0.9
69.03415	14.4
69.07050	0.2
70.19824	0.9
71.04975	1.4
73.02907	0.9
79.05478	1.1
81.03410	2.4
81.07036	1.1
83.04966	5.3
83.08611	0.8
85.02888	5.1
87.04440	0.7
91.03939	0.6
91.05460	16.9
92.05803	0.3
93.07026	0.5
95.04956	2.1
95.08584	1.5
99.04433	1.3
101.00851	0.4
103.03920	1.2
103.05441	0.7
105.04511	0.2
105.07006	7.2
107.08545	0.9
109.02853	0.3
109.06518	1.4
109.10132	1.1
111.04414	3.0
117.07024	0.2
119.01923	2.7
119.04914	38.6
119.08547	2.8
120.05222	0.9
120.08061	0.2
121.06456	0.5
121.10107	0.5
122.03619	0.2
122.07278	0.4
123.04412	1.8
123.08045	2.0
123.11687	0.4
129.05464	1.8
133.02788	0.2
133.06454	5.6
137.02963	0.7
137.05942	5.3
137.09523	1.3
142.03485	2.2
147.04376	100.0
147.11642	0.8
148.04713	2.6
160.04541	0.8
165.05467	1.9
165.07759	0.3
165.09073	8.3
165.12698	1.4
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	cis-3-coumaric acid
Peak:m/z	Relative Intensity
51.02379	0.3
52.06781	0.2
53.03941	1.0
55.01865	2.8
55.05507	5.9
57.03432	9.9
57.07071	0.4
59.04996	0.4
61.02921	5.8
61.03235	0.3
65.03928	1.4
67.05502	4.1
69.03423	37.0
69.07064	1.3
69.67529	0.4
69.67953	1.0
70.03764	0.3
71.01328	0.2
71.04988	3.5
72.83735	0.2
73.02908	2.7
73.06587	0.3
75.04477	0.3
78.12533	0.2
79.05487	3.4
81.03409	4.0
81.06567	0.4
81.07049	5.8
83.01334	0.4
83.04975	14.4
83.08635	0.2
84.05306	0.4
85.02898	12.0
85.06523	0.4
87.04449	1.6
91.03944	1.0
91.05473	19.1
91.51764	0.2
92.05808	0.6
92.31395	0.2
93.07038	3.3
93.43342	0.2
95.01323	0.3
95.04967	4.1
95.08602	4.5
97.06522	0.5
99.04449	3.9
100.02446	0.3
101.00868	0.7
101.02544	0.2
101.06007	0.3
103.03941	2.9
103.05467	0.7
105.03390	0.3
105.04450	0.2
105.07022	7.3
107.04950	0.6
107.07858	0.3
107.08583	5.4
109.02849	0.4
109.06503	2.5
109.10145	3.4
111.04434	5.9
117.07001	0.6
119.01935	3.7
119.04932	40.9
119.08561	5.9
120.05269	0.8
120.08051	0.7
120.08881	0.2
121.06484	0.8
121.10122	3.0
122.07296	0.4
123.04417	3.9
123.08055	3.5
123.11688	1.6
129.05470	4.8
133.02861	0.7
133.06479	1.4
137.02963	1.3
137.05971	2.6
137.09598	4.4
137.13254	0.6
142.03496	3.5
147.04396	100.0
147.06387	2.6
147.08031	1.7
147.11674	4.0
148.04735	3.2
160.04543	1.2
165.01845	0.3
165.05501	3.7
165.07596	0.7
165.09082	8.4
165.11336	0.4
165.12743	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	165.0544
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
51.93929	0.3
52.46604	0.3
53.03934	1.2
55.01865	2.6
55.05500	4.6
57.03428	6.1
57.07066	1.6
59.04990	0.4
61.02927	3.0
65.03924	1.5
67.05498	8.4
69.03420	19.8
69.07059	3.0
69.62120	0.7
69.62526	2.7
70.03745	0.6
71.04998	1.8
71.08611	0.8
73.02900	1.6
77.03901	0.4
79.05474	4.1
81.03400	2.5
81.07041	10.6
83.04969	7.7
83.08602	1.4
85.02898	7.4
87.04456	0.9
87.46724	0.4
91.03922	0.8
91.05466	20.8
93.07025	8.7
94.04230	0.5
95.04957	4.9
95.08586	9.8
99.04437	2.2
103.03930	1.5
105.07016	7.1
107.04939	0.6
107.08573	8.2
109.06499	13.7
109.07249	0.8
109.10138	11.6
111.04426	3.8
117.07013	0.7
119.01897	1.8
119.04921	39.9
119.08558	12.7
120.05257	0.9
121.06458	0.8
121.10124	15.5
122.07258	4.5
123.04421	1.4
123.08033	7.1
123.11691	3.6
129.05446	2.0
133.02893	0.5
135.08022	1.1
137.02934	0.4
137.09593	87.7
137.13235	1.7
138.09940	1.6
142.03476	1.5
147.04384	100.0
147.11641	5.4
148.04732	2.5
150.10405	2.1
160.04573	0.5
165.01860	0.5
165.05501	2.6
165.09035	2.9
165.12727	35.7
166.13080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29682	0.3
63.10607	0.4
70.89394	1.3
82.01446	0.4
82.99837	1.3
89.51790	0.4
91.45802	0.3
100.02459	1.4
101.00863	21.6
102.00961	0.9
115.14167	0.4
118.03499	1.0
119.01900	100.0
120.01993	4.6
121.02354	0.5
121.50343	0.4
124.02415	6.0
125.71424	0.3
137.02933	29.3
138.03041	1.2
142.03476	85.5
143.03629	1.9
160.04527	28.0
161.04623	0.7
165.05089	3.2
181.60715	0.4
183.05997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
53.03937	0.7
55.01860	2.2
55.05501	4.6
56.05827	0.2
57.03429	7.4
57.07065	0.4
59.04995	0.4
61.02916	4.5
65.03926	1.4
67.05154	0.3
67.05495	3.0
69.03418	29.2
69.07065	1.0
69.92008	1.1
70.03763	0.3
71.04980	2.5
71.26717	0.2
73.02909	1.8
75.04469	0.3
77.03891	0.2
77.12673	0.2
79.05483	2.8
81.03407	3.0
81.07047	4.7
83.01350	0.2
83.04969	10.9
83.08613	0.3
85.02892	10.2
85.06549	0.3
87.04446	1.1
91.03966	1.1
91.05466	19.6
92.05807	0.4
93.07033	2.7
95.01340	0.2
95.04954	3.6
95.08587	4.5
95.68536	0.2
97.06502	0.3
99.04438	2.8
101.00853	0.4
103.03918	2.6
103.05441	0.4
105.03386	0.5
105.07021	6.3
107.04924	0.5
107.08579	4.4
109.02859	0.6
109.06506	2.0
109.10148	3.1
111.04424	5.1
117.07018	0.5
119.01921	3.9
119.04925	39.8
119.08562	4.9
120.02016	0.2
120.05203	0.9
120.08102	0.4
121.02183	0.2
121.06488	0.5
121.10117	2.4
122.07271	0.3
122.10282	0.2
123.04418	3.6
123.08061	2.6
123.11678	1.5
129.05466	3.2
133.02847	0.7
133.05627	0.2
133.06447	1.3
135.08075	0.3
137.02965	1.4
137.05957	1.9
137.09595	3.7
137.10590	0.4
137.13206	0.4
142.03474	3.0
145.17934	0.2
147.04387	100.0
147.11668	3.9
148.04720	2.9
150.06720	0.2
160.04506	1.1
161.98750	0.2
165.01753	0.3
165.04338	0.2
165.05490	3.1
165.07706	0.3
165.09079	8.5
165.12737	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	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39947	0.4
51.75739	0.4
53.72824	0.4
55.01856	0.6
55.05494	0.8
57.03423	2.1
59.00770	0.4
61.02905	0.9
69.03413	3.9
70.55528	1.5
73.02889	0.8
81.02781	0.5
81.03393	0.6
82.01437	0.5
82.99841	1.9
83.04977	1.2
85.02888	2.2
85.48680	0.4
86.52657	0.5
94.02637	0.6
100.02454	2.1
101.00859	25.7
101.02542	0.9
101.53210	0.5
102.00954	1.3
102.02234	0.7
103.03195	0.9
110.53718	1.1
111.04464	0.5
112.03705	0.8
114.53954	0.7
119.01900	100.0
120.02013	3.0
120.03172	0.5
121.04234	1.2
123.54475	0.9
124.02421	6.0
130.04739	0.7
132.55003	1.8
133.03445	0.7
133.05083	0.6
137.02933	29.4
138.03058	0.9
142.03474	88.7
143.01814	0.5
143.03592	4.1
160.04530	27.5
161.02953	0.7
161.04617	1.4
165.05130	2.4
183.06116	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94852	0.4
69.03414	1.2
70.83952	0.8
70.84312	0.9
72.53963	0.4
82.99829	1.4
84.05755	0.5
97.16518	0.4
100.02456	1.8
101.00864	24.6
101.44582	0.4
102.00954	0.9
103.03097	0.5
118.03481	0.7
119.01897	100.0
120.01969	4.1
124.02416	6.1
130.53394	0.5
130.74751	0.4
137.02928	31.8
138.03058	1.2
142.03470	92.1
143.03618	2.6
160.04527	31.8
161.04660	0.9
165.05090	1.9
183.06036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.1
57.03417	0.2
57.97604	0.1
58.99844	0.2
60.00644	0.2
65.01170	0.2
65.24334	0.1
69.03416	0.9
71.12775	0.2
76.39964	0.1
82.01420	0.4
82.99809	1.7
83.01463	0.2
83.04968	0.3
85.02882	0.2
97.06216	0.1
100.02477	1.4
101.00864	23.2
101.02512	0.5
102.00907	0.6
103.03979	0.1
111.04413	0.1
118.03516	0.7
119.01904	100.0
120.01981	4.0
120.03166	0.1
121.02302	0.4
124.02423	6.0
125.02590	0.2
129.05516	0.1
133.03435	0.2
134.52698	0.1
137.02937	30.8
138.03041	0.9
139.03351	0.2
141.05000	0.1
142.03477	90.0
143.03615	3.6
147.04320	0.2
156.05011	0.1
160.04535	29.4
161.04678	1.2
165.05084	2.8
166.05272	0.3
183.06116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03933	1.7
55.05511	0.8
57.03423	0.8
57.07066	0.7
63.02367	1.2
67.52630	0.4
68.88123	0.4
69.03429	0.8
69.07056	1.8
69.56291	3.7
79.05476	8.9
81.03457	0.6
81.07041	1.3
85.02888	0.7
89.03902	48.9
90.04213	0.5
91.05458	1.9
93.07007	2.1
95.04954	2.4
103.05453	5.7
105.04496	0.5
105.07019	1.0
107.04934	13.5
107.08583	4.8
109.06497	1.0
117.03358	47.4
117.06979	1.3
118.03671	0.5
121.06470	0.5
121.10146	3.0
127.07558	0.6
128.21011	0.4
130.06552	0.8
131.04889	6.2
132.08073	0.7
133.02838	0.9
135.04390	85.1
135.11662	1.8
136.04730	1.8
145.02821	41.0
145.10095	0.8
146.03111	1.1
163.03876	100.0
163.07455	3.2
163.11142	1.9
163.14769	1.9
164.04254	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
54.23331	1.4
55.01854	2.6
55.05502	34.8
57.03413	1.7
57.07067	83.5
59.04976	2.4
65.03928	2.6
67.05496	1.9
69.03410	4.5
69.07048	5.8
69.49366	11.8
72.30560	1.5
77.03902	1.5
79.05488	19.4
81.03395	1.5
81.07033	8.7
83.08598	7.7
85.02879	4.1
89.03903	38.4
89.06017	72.6
90.04196	1.4
90.76115	1.5
91.05465	11.8
93.06538	1.9
93.07043	20.7
94.03828	1.3
95.04954	8.3
95.08591	5.2
98.21481	1.6
99.04422	2.1
100.02454	1.9
101.09631	15.9
103.03925	3.0
103.05453	52.1
105.04448	1.9
105.07024	12.7
107.04952	15.7
107.07059	13.7
107.07914	1.9
107.08583	20.1
108.08060	1.3
115.05433	3.0
117.03358	27.3
117.07005	8.9
119.08558	13.1
121.06496	5.1
121.10127	13.1
127.03902	1.6
130.06529	2.2
130.07774	3.2
131.04909	75.7
132.05209	2.7
132.08081	2.0
133.02846	4.4
135.04401	65.8
135.08020	5.6
135.11661	8.2
136.04732	2.7
136.07559	38.7
140.07013	1.5
145.01736	2.4
145.02824	31.9
145.03963	1.6
145.06462	3.3
145.10097	14.4
163.03889	100.0
163.07520	21.6
163.11153	42.9
163.12367	1.7
163.14819	8.0
164.04285	2.5
164.06969	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	163.1479
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03936	2.8
55.01866	1.1
55.05507	8.9
56.28303	0.7
57.07084	4.2
65.03924	1.3
67.05483	2.1
69.03418	1.7
69.07059	24.3
71.04980	0.9
71.62355	1.4
79.01863	0.9
79.05482	14.7
81.07049	7.1
83.08614	15.7
85.02881	1.6
89.03907	7.1
91.05465	12.1
93.07033	25.3
94.07363	1.1
95.04934	4.8
95.08595	6.5
97.73778	0.8
100.02480	1.8
103.05457	16.1
104.05800	0.8
105.04485	1.1
105.07014	15.4
107.04945	4.9
107.08581	80.3
108.08872	2.2
109.06472	2.0
109.10170	1.5
117.03377	6.7
117.06991	2.9
118.03487	1.1
119.06098	0.9
119.08580	8.7
121.02842	3.1
121.06496	3.2
121.10129	100.0
122.10462	3.3
123.08036	2.6
130.06535	1.4
130.07770	1.7
131.04907	19.8
132.08092	1.5
133.02861	2.8
133.10110	1.1
135.04411	16.4
135.05428	1.6
135.08057	3.1
135.11684	21.9
136.04695	0.9
145.02856	5.7
145.06479	1.4
145.10132	7.3
146.10381	1.0
163.03885	82.5
163.07530	7.5
163.11150	20.2
163.12340	1.5
163.14799	35.7
164.04305	6.4
164.07047	1.6
164.11562	1.4
164.15115	1.5
173.98401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0387
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03942	1.5
57.74679	0.5
63.02359	1.1
69.03407	0.5
70.67846	1.6
73.44558	0.4
74.48071	0.5
79.05476	7.2
79.05894	0.6
85.02895	0.7
89.03899	48.1
90.04224	0.7
91.05476	1.0
95.04973	2.1
103.05454	11.1
107.04940	10.8
107.08571	0.7
117.03358	41.4
118.03689	1.4
131.04910	16.6
135.04390	83.1
136.04739	2.5
140.08199	0.5
145.02818	41.5
145.03786	1.5
146.03143	1.2
163.03874	100.0
163.07481	4.1
164.04248	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0548
Annotation	Indole-3-carboxylate
Peak:m/z	Relative Intensity
51.57954	0.3
53.03937	0.9
55.01867	0.4
63.02376	0.3
65.03933	0.7
69.03408	0.6
70.41162	0.6
74.06083	0.7
75.14252	0.4
77.03944	0.3
78.73494	0.3
79.05476	2.4
82.07357	0.3
85.02889	1.0
89.03904	8.3
91.05466	14.2
92.04989	0.4
92.05805	0.5
93.07027	1.0
95.04939	1.8
95.08575	0.3
97.02897	0.5
98.21432	0.3
100.26442	0.3
102.05518	0.4
103.05454	2.8
103.13013	0.3
105.07027	1.4
106.06568	0.4
106.07346	0.9
107.04950	3.1
107.08568	1.7
109.06512	0.5
116.04962	14.7
117.02602	0.2
117.03363	6.1
117.05788	2.4
117.07005	1.0
118.06523	100.0
119.06856	2.3
119.08542	0.7
120.06571	1.1
120.08905	1.3
121.06492	0.6
121.10114	0.9
121.55814	0.3
131.04912	3.6
133.02832	1.3
134.05988	6.7
134.06943	0.6
134.10457	1.5
135.04393	14.8
135.07968	0.6
135.11659	0.6
144.04417	18.0
145.02826	5.9
145.03841	0.3
145.04741	0.4
145.06468	0.7
145.10132	1.4
147.04323	0.3
162.05475	47.5
162.13629	1.7
163.03880	19.8
163.05943	1.0
163.07500	2.0
163.11176	2.2
163.12366	0.4
163.14734	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03926	1.1
54.83615	0.5
55.05500	10.1
57.01699	0.6
58.90939	0.5
65.03950	0.8
67.05508	3.3
69.07056	10.0
69.73804	3.4
77.03944	0.5
79.05473	7.2
81.07040	10.8
82.82487	0.6
83.04983	0.6
91.05464	17.2
93.07027	11.2
95.04961	1.6
95.08593	1.7
103.05448	4.3
105.07012	78.0
106.07351	2.1
107.08583	4.0
115.05441	2.4
117.07005	6.7
118.04156	0.9
118.07761	0.7
119.08560	100.0
120.08907	2.1
120.24836	0.6
121.10123	4.6
128.06169	0.9
131.04881	0.8
131.08528	6.8
131.52330	0.6
132.09299	1.6
133.06467	4.3
133.10107	53.3
134.10434	2.1
143.08554	2.0
144.08060	1.6
144.09229	0.8
145.10072	1.0
146.03619	0.8
146.07222	1.5
146.10931	3.7
159.11632	4.6
161.05984	4.6
161.09615	11.1
161.13228	93.4
162.13593	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03931	0.5
55.01857	0.3
55.05503	2.9
67.05495	0.9
69.03413	0.9
69.07058	3.2
70.51005	1.0
74.06062	0.4
74.39597	0.3
79.05489	3.2
81.07050	6.8
83.08593	0.4
85.42465	0.2
91.05467	8.2
93.07029	3.5
95.05003	0.4
95.08604	0.7
97.98476	0.2
103.05452	1.9
104.06248	0.4
105.07019	37.7
106.07368	0.9
107.04953	0.3
107.08590	1.5
115.05428	1.3
117.06995	2.6
118.04179	0.6
119.08566	100.0
120.06540	0.6
120.08864	2.6
121.10156	1.5
123.66520	0.3
128.06198	0.4
131.08528	2.3
132.09216	0.4
133.06488	2.5
133.10110	17.5
134.10437	0.6
137.32954	0.3
143.08533	0.9
145.10120	0.5
146.03564	0.5
146.07236	0.5
146.10849	1.2
159.11716	1.4
161.05974	1.9
161.09610	7.5
161.13245	42.2
162.13615	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0596
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02381	0.4
51.18238	0.2
53.03938	1.5
55.01874	4.0
55.05504	0.7
62.01565	0.4
65.03931	0.3
66.04714	1.1
67.05446	0.4
69.03411	1.1
69.07056	0.4
69.92457	1.4
71.04977	0.3
71.23468	0.3
72.08150	0.3
73.02897	0.4
73.30505	0.3
74.06071	0.4
77.03917	0.8
79.05487	16.2
80.05817	0.4
81.07041	0.8
89.03889	0.6
90.04700	3.3
91.05470	5.5
91.09917	0.3
92.02617	0.6
93.07054	0.6
95.04960	3.4
96.42514	0.3
97.02876	0.6
98.21416	0.3
102.04690	0.5
103.05463	19.5
104.05754	0.6
105.07021	100.0
106.07344	2.7
107.04967	0.7
111.06355	0.6
115.05444	25.2
116.05755	0.7
117.07002	0.8
117.50023	0.3
118.04153	15.6
119.04485	0.3
119.08568	5.7
119.95760	0.3
120.06571	0.4
121.06525	0.8
122.62106	0.3
128.06190	1.4
131.04919	5.2
131.08551	1.1
132.05707	1.3
133.06480	57.4
133.10109	8.1
134.06813	1.7
143.04897	0.8
143.06024	4.0
143.08524	2.6
143.10579	0.3
144.08054	0.5
145.06459	0.6
146.03595	0.8
146.07283	2.8
161.05971	17.7
161.09602	17.5
161.13223	4.5
162.05367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.11028	0.3
53.03930	0.9
55.05507	5.3
66.89700	0.3
67.05486	0.4
69.07071	1.8
69.86582	0.7
69.86996	1.0
77.84551	0.3
79.05495	1.7
81.07040	0.8
91.05471	5.8
93.07030	1.2
95.04975	0.4
103.05460	1.2
104.06244	0.5
105.07019	17.3
107.08573	1.1
109.08699	0.3
115.05437	1.5
117.06975	2.3
118.04149	0.7
119.08566	100.0
120.08905	3.1
121.10164	2.0
131.04929	0.6
131.08527	1.3
133.06468	2.8
133.10117	14.4
146.03630	0.5
146.07230	0.3
146.10890	0.8
154.67996	0.3
159.11636	0.5
161.05951	4.4
161.09615	4.1
161.13240	20.2
162.13567	0.7
172.00522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0594
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02364	0.4
53.03947	2.0
55.01865	4.2
55.05499	0.7
66.04709	1.0
67.52997	0.3
68.97838	0.3
69.03422	0.8
69.92823	1.3
74.06042	0.4
77.03920	0.4
79.05479	15.1
80.05809	0.3
81.07067	0.7
85.02856	0.3
89.03900	0.7
90.04675	2.1
91.05469	5.2
92.02608	0.4
95.04963	3.7
97.02870	0.4
102.04654	0.5
103.05450	20.6
105.07011	100.0
106.07336	2.2
107.04928	1.1
107.08504	0.4
115.05431	25.3
116.05760	0.4
117.07016	0.6
118.04139	17.3
119.08566	4.8
128.06201	0.8
131.04916	4.1
131.08571	0.8
132.05692	1.1
133.06468	56.8
133.10101	6.5
134.06799	1.6
136.67714	0.3
143.04912	0.8
143.06004	4.7
143.08513	2.2
144.08066	0.4
146.03618	0.8
146.07228	2.2
149.05969	0.3
161.05949	17.8
161.09579	12.8
161.10909	0.5
161.11861	0.5
161.13206	4.0
162.06474	0.4
162.09943	0.4
173.06937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0755
Annotation	2721-59-7
Peak:m/z	Relative Intensity
53.03925	0.4
55.01855	0.5
55.05508	1.5
57.03415	0.4
59.59559	0.2
67.04242	1.2
69.03400	0.8
69.69250	1.7
73.02910	0.4
73.06526	0.3
79.05461	0.4
81.03396	0.6
82.99807	0.3
85.02890	0.7
91.03952	0.2
91.05465	0.6
97.02901	1.5
98.21550	0.4
98.97569	0.6
100.02470	0.2
101.00867	2.7
101.06010	0.4
102.00891	0.3
103.02392	0.3
105.07026	2.7
109.02857	0.4
109.78894	0.3
114.05519	0.5
114.09153	0.4
115.05439	10.8
116.04938	0.4
116.05753	0.5
116.10703	0.7
117.05740	6.0
117.07010	0.5
118.06560	0.4
118.96754	0.6
119.01896	11.3
120.02032	0.3
121.01629	0.4
121.04959	0.3
130.06491	1.0
131.01819	0.4
131.04895	0.9
131.07248	0.6
132.08072	14.5
133.05257	1.1
133.06465	2.8
133.08397	0.5
136.04506	0.2
137.02930	4.3
142.03479	5.1
142.06483	2.9
143.01878	0.9
143.07277	1.5
145.01619	1.1
145.05223	0.4
146.06062	0.3
148.05692	1.6
151.06331	1.3
154.96414	0.3
159.06805	2.7
160.04834	2.3
160.07552	100.0
161.02957	1.7
161.05905	0.3
161.07910	3.6
163.02612	1.1
175.04610	0.3
179.03987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00637	0.2
65.58485	0.1
67.05521	0.2
69.07068	0.2
70.27042	0.6
75.38722	0.2
82.99803	1.0
83.04985	0.2
85.01388	0.2
91.56052	0.1
98.20900	0.2
100.02480	0.2
101.00864	16.0
102.00926	1.5
103.00588	0.3
103.02447	0.7
103.04052	0.2
107.05266	1.0
111.04412	1.0
116.05773	2.8
116.55889	0.6
117.05675	0.2
118.03471	0.2
119.01904	100.0
120.01986	7.8
120.03156	0.2
121.01596	0.9
121.02375	0.5
121.03476	0.4
124.02444	0.2
125.02586	0.2
125.06297	0.3
127.56541	0.4
129.04697	0.5
137.02936	41.6
138.03030	2.8
138.05244	0.2
139.02609	0.3
142.03474	2.8
143.01921	0.2
143.03601	4.4
144.03195	1.6
147.04985	0.3
149.00826	0.2
160.04562	0.7
161.02939	5.4
161.04654	2.1
162.03082	0.3
162.04318	0.7
165.06125	0.2
179.03986	10.9
180.04103	0.4
184.04536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
56.96539	0.3
57.03419	1.7
58.99849	0.5
60.04523	0.3
61.02914	0.6
65.75602	0.3
67.05527	0.2
68.02634	0.3
69.03424	1.2
69.88793	0.2
70.85220	0.5
70.85535	0.3
71.02986	0.3
71.04986	0.3
72.08144	0.5
72.52971	0.3
73.02898	0.8
74.06060	0.4
76.46938	0.2
78.52946	0.4
79.02962	0.3
81.03407	0.7
81.07055	0.3
82.01422	0.8
82.99802	0.6
83.04985	0.4
84.08164	0.3
84.52933	0.3
84.56025	0.3
85.02904	1.5
85.06563	0.4
86.52644	0.3
91.02440	0.7
92.52643	0.3
97.02866	2.1
98.03995	0.2
98.97544	0.2
99.04466	0.4
100.02464	2.2
101.00864	17.1
101.02407	0.5
102.00903	1.5
102.02293	0.3
102.96831	0.3
103.00614	0.6
103.02415	0.8
105.07011	0.6
106.52389	0.8
107.05228	0.7
109.02878	0.5
110.02101	0.3
111.04430	0.9
113.02399	0.3
114.52145	0.5
115.02445	1.4
116.03922	0.2
116.05781	1.9
116.55833	0.6
118.03493	1.4
119.01904	100.0
120.01988	8.7
120.03268	0.4
121.01620	1.8
121.03490	0.4
124.02477	0.3
125.02650	0.9
128.02237	0.2
129.03934	0.4
130.53442	0.4
131.01854	0.6
133.02518	0.4
133.03441	2.4
133.06491	0.4
135.03195	0.3
135.05081	0.3
137.02937	38.5
137.52405	0.6
138.03061	3.2
139.02557	0.4
142.03484	2.6
143.01947	1.6
143.03603	4.2
144.02133	0.4
144.03209	1.7
145.03432	0.6
146.07332	0.4
147.01360	0.3
147.04977	1.2
149.03708	1.4
149.04744	0.3
149.53735	0.4
150.03755	0.4
151.04492	0.4
157.03439	0.6
159.05098	0.6
160.04584	0.9
160.54686	0.3
161.02942	7.9
161.04619	1.8
161.06662	0.4
162.03128	0.5
162.04323	0.5
164.08398	0.3
170.06052	0.4
175.04512	0.3
177.06097	0.4
179.03987	9.3
179.05580	0.5
180.04150	0.7
184.04474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38843	0.2
59.93096	0.3
63.63934	0.2
71.17162	0.3
71.17492	0.4
72.73522	0.2
75.34937	0.2
75.67854	0.2
82.99867	0.8
100.02470	0.9
101.00867	17.4
102.00928	0.4
103.02462	0.5
104.53581	0.3
107.05281	0.4
107.73409	0.2
111.04362	0.5
116.05785	1.4
118.03508	1.9
118.96745	1.4
119.01906	100.0
120.01978	1.6
124.02419	2.9
127.56571	0.3
129.04739	0.6
136.04546	1.0
137.02940	37.9
138.03043	0.7
142.03482	49.3
143.03653	2.3
147.05011	0.3
154.96436	0.5
160.04539	24.5
161.02939	3.2
161.04671	1.4
161.35521	0.3
165.05127	1.3
178.05592	3.6
179.03969	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	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
54.54552	0.3
56.07081	0.3
65.03879	0.3
65.41590	0.3
67.05499	2.4
69.07021	0.3
71.04977	0.4
71.23638	0.4
72.69213	0.3
76.93366	1.8
79.05482	1.0
81.07057	0.7
91.05467	5.7
98.97524	0.4
103.05434	0.8
105.07018	17.7
113.02344	0.6
115.04739	0.5
115.05431	3.0
116.06230	1.0
116.98608	0.5
117.07001	32.8
117.95968	1.4
118.06538	0.4
118.07337	1.2
119.08563	6.8
120.08881	0.5
128.06200	0.9
129.06984	8.3
130.07794	5.0
131.08557	30.0
132.08026	0.4
132.08900	1.3
135.97002	1.1
141.01828	1.9
142.07759	1.4
143.08559	1.0
144.09329	19.7
145.09644	0.9
157.10117	3.6
159.04382	0.6
159.08041	1.5
159.11668	100.0
160.07475	0.4
160.12000	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	160.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01852	4.6
55.05495	5.8
55.93503	2.3
56.94292	3.3
57.03171	2.5
57.03426	20.7
57.93554	3.0
59.93097	12.7
61.02917	13.2
61.92862	3.2
69.03418	95.6
70.03758	5.2
70.95847	1.9
71.04980	4.8
71.16217	1.4
71.62266	1.7
72.93776	70.1
73.02896	2.6
73.93824	1.8
74.95386	1.6
75.04462	2.8
76.93356	27.2
77.93378	23.7
77.94142	5.1
78.93111	29.9
81.03391	2.3
82.03685	1.6
83.04962	25.8
84.04516	1.8
85.02880	11.7
87.04444	6.3
90.94812	17.9
91.05515	1.3
93.49625	1.7
94.94389	5.2
95.94429	4.4
95.95169	3.0
96.50148	7.2
96.94152	6.8
97.02898	1.9
99.04405	6.7
99.49631	1.8
100.95718	2.3
101.51208	1.8
101.56467	1.6
101.94991	2.3
102.50178	5.4
102.94824	1.7
104.96387	2.2
105.07009	3.1
108.50098	2.1
108.95830	3.3
109.50929	2.8
110.00189	1.9
111.04438	15.2
111.50680	2.6
113.96381	100.0
114.05531	2.8
114.96477	1.5
115.50930	6.4
115.96423	5.7
116.97209	5.7
117.05467	2.5
117.50665	2.1
117.95954	15.5
118.06497	3.1
118.96018	19.3
118.96748	49.9
119.00646	6.3
119.08569	1.7
119.95710	31.7
119.96917	2.5
120.96539	2.3
121.50896	3.2
124.51434	2.1
128.01184	3.1
129.05469	9.2
130.51437	17.0
131.97414	90.8
132.95810	34.9
132.96764	2.6
132.97626	2.3
133.97414	2.8
133.99063	4.5
134.97389	2.2
135.96986	13.3
136.95399	2.5
136.97089	16.4
137.96735	21.8
139.51964	5.9
140.28003	1.5
140.51959	2.2
141.98351	4.5
142.02228	3.8
142.03462	1.8
144.95798	6.6
145.98988	2.8
146.97369	5.0
149.94588	1.9
150.94618	1.3
150.95705	5.9
150.96881	18.0
154.96443	20.0
154.97691	2.6
154.98964	11.4
155.97400	34.5
156.97766	1.6
157.98936	1.9
158.98462	1.8
159.98653	2.4
160.06091	2.0
160.07521	2.1
160.98380	3.1
161.09592	2.7
162.96852	5.7
164.98497	2.3
167.97452	4.7
169.98906	2.1
172.97575	4.8
173.98459	13.0
174.96855	13.3
176.96941	1.6
176.98413	1.6
177.98090	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	159.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	0.4
54.92406	0.3
57.03426	0.4
67.05500	2.5
69.38927	2.9
71.04957	0.5
76.93361	2.2
79.05448	0.5
81.07045	0.7
91.05461	5.2
94.94379	0.9
95.08602	0.7
98.21439	0.7
103.05444	0.8
105.07015	16.1
106.07306	0.7
113.02359	0.8
113.05989	0.4
114.05502	0.5
115.05423	2.3
116.06214	1.6
116.98651	0.5
117.06999	32.4
117.95965	2.6
118.06522	0.5
118.07327	1.0
118.96778	0.5
119.08563	6.9
120.08968	0.3
127.71096	0.3
128.06198	1.3
129.06978	9.5
130.07785	4.3
131.04912	0.5
131.08549	29.9
132.08887	1.1
132.62740	0.3
134.99568	0.4
135.96997	2.0
141.01830	3.2
142.07738	1.1
143.08527	0.6
144.09326	18.3
145.09691	0.6
157.10098	2.8
159.04376	0.6
159.08142	3.1
159.11667	100.0
160.12018	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	159.1014
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
53.03930	0.7
55.01856	0.9
55.05506	7.2
56.95625	0.4
56.96547	1.1
57.03438	2.4
57.07061	1.4
59.04984	0.6
59.93088	0.7
60.04495	0.5
61.02900	0.6
65.03931	0.4
65.05091	0.3
67.05497	20.6
68.05843	0.6
69.03420	1.4
69.07060	6.0
69.39447	1.4
69.39867	2.3
70.06583	0.9
71.01356	0.5
71.04990	2.8
71.06885	0.6
72.04505	0.7
72.08137	0.4
74.78071	0.4
76.93362	7.6
79.05479	3.0
81.03404	1.3
81.07048	22.3
82.07407	0.6
83.04972	2.3
83.08607	2.0
83.70071	0.3
85.02889	2.7
85.06554	2.9
85.10168	0.8
86.79601	0.4
87.02056	0.4
87.04478	0.5
88.83800	0.4
91.05476	1.9
93.07043	4.9
93.61579	0.4
94.94398	2.5
95.04955	1.5
95.08595	100.0
96.08916	2.5
97.06519	8.6
97.10178	0.7
98.97575	2.7
99.04449	2.1
99.08081	32.1
100.08427	1.2
102.09186	0.4
103.05456	1.3
105.07018	2.0
111.05208	0.4
111.08081	0.8
113.02356	2.1
113.06000	1.7
113.09632	13.4
114.05539	0.9
114.06424	0.3
114.09163	0.4
114.09911	0.5
115.05437	0.5
115.07550	1.1
116.06335	0.6
116.98593	2.5
117.06992	2.0
117.95971	8.9
118.06538	2.3
118.96745	2.4
119.01832	0.5
119.08571	0.5
123.08055	40.2
123.11671	0.9
124.08366	0.9
127.00241	0.6
129.06989	1.2
129.09103	0.8
131.04848	1.8
131.08546	4.4
131.97427	0.5
132.08069	0.7
134.99620	3.0
135.97014	6.7
136.00089	0.5
141.01817	7.8
141.09090	29.0
142.09465	0.9
144.05717	0.6
144.09334	1.8
153.00754	0.8
154.96492	0.8
158.98567	0.5
159.02917	1.1
159.04355	0.7
159.06880	0.6
159.08047	2.1
159.09140	2.0
159.10124	3.6
159.11714	6.9
159.15762	1.0
160.07578	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0915
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.01889	0.7
55.05502	0.9
56.87607	0.4
56.96557	2.6
57.03429	2.1
59.93115	0.8
67.05506	1.7
69.07064	1.1
70.06587	1.0
71.01318	0.6
71.04980	1.9
71.22978	0.7
71.23315	0.8
72.04531	0.5
72.08140	0.8
76.93353	6.4
79.05505	0.4
81.03420	1.2
81.07047	1.7
84.08139	0.7
85.02883	2.8
85.06544	0.6
86.06059	0.7
91.05469	1.5
94.94398	2.0
95.04935	1.2
95.08577	3.2
97.06532	1.2
98.97569	7.3
99.04438	1.8
99.08086	1.3
103.05454	0.6
105.07007	1.6
110.49294	0.4
113.02362	1.7
113.06004	1.3
113.07968	0.6
114.05519	0.7
115.05430	14.5
116.04964	1.0
116.05704	0.5
116.98589	6.4
117.05748	11.2
117.07000	1.0
117.95966	7.3
117.98930	0.9
118.06534	4.7
118.96765	2.7
119.01910	0.6
123.08050	1.1
129.07013	0.7
130.06505	20.9
131.04909	1.1
131.06790	3.2
131.08556	1.9
132.08067	89.5
133.08389	2.3
134.99643	5.9
135.97000	4.6
135.99995	0.8
140.04903	0.6
141.01802	6.3
141.05467	0.6
141.09122	0.9
142.03514	0.7
142.06502	26.7
143.07101	1.0
144.09346	0.8
153.00685	1.4
153.96713	1.0
154.96416	0.7
158.08377	1.0
159.02904	0.9
159.09143	100.0
159.11755	2.4
160.04509	0.7
160.07552	15.5
160.09514	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	156.0419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39378	0.8
50.91160	0.8
55.01850	2.8
56.05010	1.4
57.03408	1.3
61.02889	1.4
67.05496	1.1
68.05006	1.3
69.98314	5.2
72.08136	0.9
72.19501	0.8
74.09332	1.2
74.09710	15.3
79.05473	1.1
80.04986	1.4
82.01437	1.4
82.05310	2.7
82.06559	2.9
83.06091	9.0
84.08121	3.7
85.07640	1.5
85.27868	1.0
91.94834	0.8
93.04498	5.3
93.07035	2.2
94.06534	1.6
95.04939	2.2
95.06065	5.3
96.08118	39.1
96.96886	3.1
97.08459	1.5
97.40331	0.8
98.20869	1.0
100.02466	3.6
101.00820	1.1
105.53389	1.0
109.06496	5.8
110.07150	92.7
110.09653	3.0
111.05548	3.4
111.07514	1.4
112.05202	1.2
115.02433	1.0
118.03515	1.1
119.01899	4.9
120.08092	2.2
121.06479	2.9
122.07803	0.9
123.54520	1.2
130.06281	15.8
131.01938	1.1
132.02023	1.4
133.01662	2.3
133.03435	4.4
138.09114	62.4
151.04439	1.5
156.04189	100.0
156.07629	11.3
156.10173	81.3
157.04544	2.0
157.10512	1.5
167.32872	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.086
Annotation	Octopamine
Peak:m/z	Relative Intensity
53.03933	0.6
55.01852	1.7
55.05485	1.2
56.05027	2.8
56.96545	1.6
57.03420	2.0
58.99847	0.6
60.04498	0.5
61.02905	1.0
65.03925	1.1
67.05476	1.4
67.32658	0.5
68.05020	2.8
69.03424	2.9
69.96165	0.7
71.04963	0.9
71.63488	0.9
71.94081	1.1
71.95219	0.5
72.93768	1.8
73.02895	1.8
78.52972	0.5
79.05451	0.8
80.05006	8.7
81.03400	1.6
81.07037	2.3
82.01415	1.8
82.06567	2.4
83.04964	2.4
84.04467	0.6
85.02885	2.3
90.94812	0.5
91.05463	27.5
92.05780	0.6
93.01853	0.7
93.05768	1.0
94.06549	1.5
95.04950	6.6
95.05988	0.5
96.04473	1.4
97.02870	3.6
97.06509	0.5
98.03168	0.7
98.06016	0.5
100.02459	6.1
100.52389	0.5
101.00852	1.8
103.02399	0.6
103.03146	0.6
106.06514	0.5
107.04958	1.3
108.04452	1.7
108.08096	10.7
109.02863	1.2
109.06487	5.5
110.05998	3.5
111.02919	0.5
111.04449	0.6
111.64050	0.5
112.07585	16.3
112.96671	0.8
113.00852	2.5
113.96387	1.6
114.03981	0.5
115.02385	0.7
115.55051	0.5
118.03527	2.7
118.06538	1.3
119.01914	4.5
119.04916	16.0
121.01630	0.7
121.52945	0.5
122.53716	1.0
125.05965	1.4
126.09130	2.5
127.03896	0.9
130.97755	0.5
131.01878	18.1
131.05496	0.9
131.96107	0.7
131.97401	1.0
132.01929	0.9
132.05043	1.4
133.03404	1.2
133.05309	0.8
134.06015	1.2
136.02452	0.6
136.07552	43.5
137.05949	100.0
138.06284	2.6
142.03476	2.0
143.01903	1.2
145.03375	0.6
147.01273	0.5
147.04982	0.8
149.01137	1.1
149.02956	4.3
149.06601	1.5
149.97177	2.1
150.06714	1.3
151.06306	1.6
152.94554	0.4
153.55869	0.7
154.03476	4.3
154.04703	1.2
154.05902	1.1
154.08600	37.5
154.54836	0.6
155.01810	0.8
155.09004	1.2
157.03459	0.6
161.02927	1.2
161.06564	0.7
162.06703	1.0
163.02646	0.6
163.06340	1.1
168.03026	0.5
172.04607	0.7
173.02975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68985	0.3
52.65106	0.2
53.03917	0.3
54.16443	0.2
55.01833	0.2
55.05500	3.6
56.05017	0.6
57.03399	0.5
57.07064	4.6
58.07621	0.2
59.04985	0.3
65.03932	0.4
67.05486	1.7
68.05005	0.3
69.07047	0.5
69.30959	2.0
69.31369	0.4
70.06561	0.7
71.04979	1.2
71.94087	0.7
72.93394	0.4
72.93775	6.6
79.05463	0.9
80.05006	0.4
80.05804	0.4
81.03400	0.3
81.07044	6.7
82.06561	0.7
82.07368	0.9
83.04976	1.1
83.07386	0.2
83.08591	1.1
84.04494	0.4
85.06528	1.8
87.78145	0.2
90.94327	0.2
90.94809	1.4
91.05457	0.6
93.05756	0.4
93.07019	0.4
94.07333	0.4
95.04944	2.1
95.08603	1.4
96.04468	0.5
96.08105	0.3
97.05246	1.9
97.06501	0.3
98.06031	1.5
98.09658	1.1
98.21576	0.5
99.04423	1.1
107.04918	0.2
107.08621	0.3
108.04446	0.4
108.08090	3.3
108.08876	0.7
108.95843	0.3
109.06490	4.9
109.10160	2.1
110.06026	2.9
111.04413	0.7
111.06802	2.5
112.07626	1.1
112.08334	0.4
113.95590	0.3
113.96383	5.1
114.37621	0.2
123.04415	0.6
125.08328	0.5
126.09126	2.9
131.97412	4.2
136.07556	3.3
136.11983	0.7
137.02267	0.3
137.05966	0.7
137.09630	0.6
138.05453	0.4
139.06270	3.3
139.07356	0.5
148.97282	0.2
152.07048	0.3
154.08598	100.0
154.98987	0.4
155.03394	0.4
155.07062	1.1
155.08939	2.7
155.10622	0.5
155.14308	0.6
164.54539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.086
Annotation	4-Deoxypyridoxine
Peak:m/z	Relative Intensity
55.01857	1.7
56.04779	0.6
56.05027	6.0
57.03426	1.4
59.81840	0.5
65.03928	0.6
66.13428	0.5
67.05499	2.9
67.85698	0.5
68.05015	8.3
69.03417	2.0
69.05852	0.5
69.44048	0.5
69.84364	3.1
71.04971	2.3
73.02898	2.3
77.00871	0.5
79.05465	1.3
80.05002	20.9
81.03404	1.3
81.07045	2.3
81.66919	0.6
82.01419	1.5
82.06555	6.3
83.04958	3.4
84.04501	1.8
84.08117	0.6
84.42668	0.6
84.52994	0.6
85.02863	1.1
88.02673	1.9
91.04898	0.6
91.05464	12.1
91.06001	1.0
93.05767	2.2
94.06559	2.9
95.04956	13.4
95.06014	1.1
96.04482	3.6
96.05345	0.6
97.06519	1.2
98.06013	0.6
100.02457	7.5
101.00867	2.2
102.02399	1.9
103.03130	0.9
107.04983	0.9
108.04449	3.7
108.08101	26.1
109.06498	6.7
109.08404	0.7
110.06037	6.3
111.02882	0.7
111.04411	0.8
112.07587	36.8
113.00851	1.7
113.07889	1.1
113.53212	0.6
114.21517	0.5
118.03510	4.4
118.06541	3.2
119.01888	3.5
119.04909	7.0
121.01682	0.5
121.04196	0.9
122.53696	1.9
124.02448	0.8
125.05994	3.2
126.07710	0.6
126.09135	9.3
131.01884	9.2
131.02782	1.0
131.54221	1.2
132.01950	0.5
132.05101	0.6
133.03438	1.0
134.05962	2.0
136.07553	100.0
137.05956	36.2
137.07713	3.5
138.06357	1.1
142.03474	3.4
143.01868	0.7
145.03513	0.5
149.02937	2.2
154.03583	2.8
154.04964	1.4
154.08601	85.0
155.09013	3.0
157.03464	0.8
161.02885	0.6
172.04456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33064	1.3
53.03927	2.6
54.03473	2.5
55.05502	100.0
56.05031	5.0
56.05835	1.6
57.07073	14.2
57.81163	1.7
58.06581	3.8
59.06102	3.7
65.03941	11.3
67.05479	4.9
68.05014	12.8
69.04536	9.8
69.07054	53.4
70.06573	27.2
70.06944	2.3
70.07366	1.6
70.79819	1.3
71.05777	1.5
71.06091	9.2
71.08604	9.5
71.62244	2.4
71.62648	1.6
71.75754	1.4
72.04504	3.6
72.08143	9.0
73.82782	1.5
79.05473	4.4
81.03419	2.3
81.04517	2.4
81.07045	4.2
82.06565	2.9
83.04959	4.0
83.06103	8.5
83.08604	52.9
84.05630	2.0
84.08125	5.0
85.07658	10.9
90.37611	1.5
91.05473	4.8
93.03398	2.6
93.07049	4.0
94.06557	3.1
95.04957	4.0
95.06075	25.1
95.08606	3.2
96.04462	1.9
96.05615	1.8
97.06465	3.1
97.07627	3.4
97.10153	53.6
98.07172	2.7
98.10497	2.0
99.06709	1.8
107.08577	3.8
108.05629	1.9
109.06520	2.3
109.07615	5.7
109.10054	1.7
110.03591	3.0
110.07151	22.1
111.04411	15.5
111.05583	2.6
111.06672	1.7
111.07978	10.4
111.09177	21.3
111.11710	7.0
112.03951	1.9
112.05096	3.1
112.07554	2.4
112.08713	59.7
113.10717	2.0
123.61294	1.6
124.08692	1.9
125.05958	3.5
126.10242	7.3
135.04405	5.3
135.06358	1.8
135.11638	2.6
136.03928	1.9
136.07625	3.3
136.08633	14.9
137.05927	2.9
153.05449	2.8
153.06586	2.2
153.07713	2.3
153.09091	2.6
153.10217	2.2
153.11314	41.1
153.13823	2.1
154.05072	3.1
154.08583	3.7
154.09744	6.0
154.12210	1.7
154.13353	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.53008	1.3
53.03928	3.8
55.01857	1.4
55.05504	14.7
57.03426	2.6
57.07061	3.7
59.04990	8.6
61.62770	1.4
64.04759	1.3
65.03923	3.0
67.05492	6.5
68.86354	1.3
69.03405	2.6
69.07061	17.4
69.73689	7.6
69.74091	2.8
71.04591	3.1
71.04984	50.4
71.44617	1.3
73.06542	20.2
76.90495	1.4
79.05482	26.4
81.07046	100.0
82.07372	1.6
83.04989	3.0
83.08603	3.4
85.06524	1.8
91.05458	6.1
93.07029	39.3
95.04960	14.0
95.08606	10.0
97.06516	13.8
98.21456	2.9
105.07030	2.3
107.04941	3.1
107.07848	3.0
107.08576	43.1
109.06467	2.6
109.10141	10.3
111.04411	2.6
111.08079	5.3
119.08568	2.7
121.02844	21.7
121.31461	1.6
125.05972	2.0
125.09601	1.6
126.06321	1.9
132.45364	1.3
135.04408	19.9
135.11662	36.7
153.01746	4.0
153.05420	5.1
153.09105	3.1
153.12704	22.2
154.08656	3.0
168.49652	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03948	1.0
55.01866	0.9
55.05503	4.5
57.03424	2.5
57.07071	1.3
59.04997	1.1
62.85103	0.6
65.03925	1.6
67.05495	10.4
69.03415	1.3
69.07063	9.4
70.50722	2.7
71.04994	2.1
76.20275	0.9
79.05482	9.0
81.07052	11.5
82.07365	0.6
83.04974	5.6
83.08604	2.9
91.05468	6.8
93.03372	0.7
93.07031	65.5
94.07359	1.9
95.04943	2.0
95.08594	58.2
96.08908	1.5
97.06513	9.2
105.04494	0.7
105.07038	2.3
107.08581	100.0
108.08908	2.8
109.06490	1.9
109.10145	15.4
111.04442	1.6
111.08078	2.0
123.08034	1.6
125.09598	1.3
125.13199	0.7
135.08034	2.8
135.11673	48.0
136.11955	0.9
153.09068	1.1
153.11478	1.3
153.12727	22.5
154.13168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.127
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00297	1.5
53.03928	3.9
55.05500	14.3
57.03418	2.2
57.07069	2.3
59.04996	7.2
65.03921	3.0
67.05479	5.7
69.07053	12.9
69.92740	6.5
70.94243	3.4
71.04980	49.7
73.06543	23.8
79.05484	21.7
81.07043	100.0
83.04955	4.0
83.08614	1.5
85.06485	1.8
90.77328	1.4
91.05475	9.6
93.06463	2.6
93.07030	46.6
93.07621	2.6
95.04939	6.2
95.08586	9.1
97.06503	8.9
98.21436	1.8
105.07013	2.3
107.08575	42.1
109.06487	3.4
109.10131	9.6
111.04442	2.0
111.08050	5.1
111.96877	1.8
125.05956	2.7
135.04369	4.6
135.11658	35.4
136.07492	1.4
148.12483	1.2
153.05482	2.0
153.09135	2.7
153.12711	19.5
154.08612	2.3
165.44794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03915	1.4
55.01847	1.7
55.05293	0.7
55.05504	7.5
57.03428	6.2
57.07057	1.5
59.04980	1.1
63.28752	0.6
64.15920	0.6
65.03929	3.8
66.27561	0.6
67.05494	25.8
69.03410	4.2
69.07059	37.5
69.27501	6.9
69.27915	1.1
69.77779	0.6
69.80429	0.6
70.94264	5.1
70.95848	2.2
71.04974	2.6
71.94086	5.0
71.95246	1.8
79.05478	20.0
80.04979	1.3
81.06570	1.3
81.07043	25.9
83.04974	6.4
83.08600	4.0
85.06522	1.3
88.95290	1.8
88.96880	1.2
89.95123	0.9
91.05463	5.6
93.03374	1.0
93.07030	34.4
94.07298	0.8
95.04947	5.8
95.08591	17.8
96.08939	0.7
96.60775	0.7
97.06525	18.2
98.00746	1.0
100.51039	0.9
105.07036	1.1
107.04906	1.5
107.08578	36.2
108.08091	0.9
108.08853	0.9
109.06480	2.3
109.10139	27.0
109.51528	0.9
110.03677	0.7
110.10428	1.0
111.04449	9.4
111.08067	6.4
111.11705	1.0
111.96860	3.5
111.98473	1.0
112.04729	0.8
112.07571	0.8
112.96703	2.5
121.02880	1.4
125.06000	5.4
125.09605	1.1
129.53355	0.6
129.97015	0.7
129.97852	3.7
130.97734	2.8
133.10126	1.3
135.04402	8.4
135.08086	1.4
135.11670	86.2
136.03923	0.9
136.07561	2.2
136.12009	3.8
137.05968	0.9
148.97437	0.7
153.05472	4.5
153.07553	3.3
153.09158	3.6
153.12721	100.0
153.99405	0.8
154.04965	2.5
154.08606	2.2
154.13086	3.6
154.15875	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	1.9
55.01856	1.3
55.05507	6.5
57.03422	2.5
57.07062	1.6
59.04980	2.3
65.03945	3.7
67.01853	2.0
67.05499	10.5
68.99796	1.1
69.03422	2.1
69.07060	13.8
69.42690	4.3
69.43106	2.5
70.94254	1.0
70.95914	0.7
71.04986	6.8
71.94067	0.8
73.06544	1.7
79.05483	11.7
81.07047	21.7
83.04964	6.2
83.08606	2.9
91.05466	7.9
93.03394	1.2
93.07034	70.3
94.07379	2.3
95.04958	7.4
95.08595	59.3
96.08912	1.4
97.06512	10.6
98.06850	0.8
105.07012	3.1
107.08581	100.0
108.08905	2.9
109.06487	3.2
109.10137	19.5
111.04414	3.3
111.08084	3.8
111.96835	0.9
117.07049	0.7
123.11660	0.9
125.05976	1.6
125.09624	2.9
135.04417	5.8
135.08087	1.8
135.11674	54.0
136.11986	2.0
141.94058	0.7
153.01820	3.4
153.05461	2.0
153.09070	2.8
153.12729	28.2
154.13078	0.9
163.04469	0.8
171.02892	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03926	1.1
55.01861	0.8
55.05502	3.9
57.03419	2.1
57.07066	1.6
59.04980	0.7
59.84133	0.6
60.28755	0.6
65.03928	2.2
67.05497	9.5
67.79867	0.6
68.65466	0.5
69.03410	1.5
69.07063	8.5
70.05365	1.8
70.05762	1.3
70.94258	1.0
71.04972	2.9
75.70477	0.6
79.05064	0.7
79.05485	9.1
81.07041	13.4
83.04967	4.4
83.08615	2.2
91.05479	7.7
93.03333	0.9
93.07031	67.6
94.07350	1.5
95.04964	11.6
95.08595	54.8
96.08931	1.7
97.06510	5.4
98.21382	0.7
105.04533	0.8
105.07036	2.0
107.08580	100.0
108.08918	2.9
109.06501	4.5
109.10146	10.9
111.04438	3.5
111.08083	2.0
111.96856	0.6
119.08607	0.7
121.02831	1.1
125.05990	1.0
125.09612	1.0
125.13266	0.8
135.04402	3.3
135.08031	0.9
135.11671	49.1
136.12035	2.2
153.05457	1.3
153.09084	2.3
153.12732	19.0
154.08679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00291	1.4
53.03936	2.1
55.05506	14.0
56.31449	1.4
57.07047	2.6
59.04982	8.8
67.01851	12.1
67.05482	4.3
68.99775	5.9
69.03403	1.9
69.07069	8.1
69.73581	1.3
69.87582	1.3
69.88123	9.4
69.88460	1.7
71.04981	46.1
72.67976	1.2
73.06226	1.8
73.06548	22.0
79.05476	18.3
81.07042	100.0
82.07348	2.2
83.04964	2.6
83.08598	2.2
83.34115	1.5
85.06535	2.4
91.05461	7.2
93.06461	2.9
93.07030	40.0
95.04939	5.6
95.08593	7.0
97.06489	5.5
101.79137	1.5
105.06973	2.7
107.08585	36.5
109.10110	6.4
111.08064	3.4
127.03921	1.7
135.11670	37.4
149.31671	1.4
153.01797	23.5
153.12730	16.4
171.02864	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	153.1271
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.01789	0.9
53.00290	1.1
53.03944	2.7
55.01855	1.4
55.05503	17.0
55.09948	1.0
57.03408	1.9
57.07055	1.6
59.04993	9.3
60.44470	1.1
65.03911	5.2
67.05495	18.9
68.29103	1.0
69.03400	3.9
69.07057	12.7
69.68887	6.4
70.94241	2.2
71.04982	47.5
73.06165	1.9
73.06545	25.2
76.98704	1.0
79.05482	31.0
81.07044	100.0
82.07374	3.5
83.04968	6.8
83.08598	2.3
85.06529	1.6
91.05466	11.2
93.03371	2.7
93.07030	44.3
93.07617	2.4
94.07359	1.5
95.04955	47.3
95.08605	9.4
97.06522	10.7
98.20829	2.2
105.04533	1.1
105.07017	2.3
107.04940	1.8
107.08577	58.2
108.08129	1.1
108.08912	1.7
109.06510	6.6
109.10138	8.4
110.03706	1.0
111.04433	13.0
111.08060	26.5
111.96892	1.0
119.08588	2.2
125.05983	3.3
125.09605	11.3
135.04372	3.2
135.08041	7.3
135.11667	33.1
136.07526	3.0
136.11958	1.6
153.01808	2.9
153.05423	3.8
153.09111	14.0
153.12720	19.7
154.08600	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1272
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00282	1.2
53.03934	2.5
55.05502	12.1
57.03423	1.5
57.07067	2.9
59.04987	6.6
61.13073	1.2
67.05481	5.3
69.03409	1.4
69.07058	11.5
71.04981	50.0
71.09974	2.8
73.06549	21.0
74.26737	1.1
78.16419	1.0
79.05485	21.6
81.07046	100.0
82.07395	1.8
83.04961	1.5
83.08604	1.9
85.06526	1.8
87.80364	1.2
91.05473	6.9
93.07034	46.9
93.07627	2.5
95.04971	8.2
95.08601	8.5
97.06522	10.7
105.07014	1.6
107.04940	2.5
107.08578	43.4
108.08116	1.3
109.06499	3.6
109.10145	8.4
111.08079	4.6
119.08561	2.2
125.09660	1.6
135.04456	2.7
135.11681	32.4
136.07568	3.3
136.12070	1.3
153.09073	1.8
153.12733	20.5
154.08615	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	153.0907
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
51.40921	0.5
53.03926	1.8
55.01859	18.0
55.05253	0.7
55.05500	7.2
57.03421	5.2
57.07059	1.3
59.04697	0.9
59.04988	16.9
61.24692	0.5
65.03920	5.0
67.05487	13.6
68.99780	0.8
69.03410	10.5
69.07051	8.9
69.37794	1.7
69.38208	3.3
70.94250	1.5
71.04977	3.9
71.76323	0.4
71.94091	0.9
72.42773	0.5
73.06532	1.1
79.05476	28.0
80.05828	0.5
81.07043	13.3
83.04964	11.0
83.08596	2.8
85.06554	0.6
91.04882	1.0
91.05460	21.3
92.05779	0.6
93.03396	1.8
93.07024	37.2
94.07352	0.7
95.04943	15.0
95.08588	28.4
96.05303	0.5
97.02872	0.9
97.06512	7.6
97.10157	0.6
97.40134	0.5
99.04401	0.7
103.05562	0.5
105.07003	12.7
107.04932	5.1
107.08572	100.0
108.05723	1.4
108.08194	0.8
108.08893	3.0
109.06489	9.8
109.10126	9.8
110.03622	0.6
111.04423	20.7
111.08059	12.8
111.96854	1.2
112.07595	0.9
115.05456	2.9
117.06994	5.8
119.06037	1.8
121.02862	0.6
123.08038	23.1
124.08855	0.7
125.05964	3.5
125.09601	24.2
126.09926	1.0
129.97862	1.1
130.11143	0.5
133.07559	1.5
135.04379	2.2
135.08026	48.8
135.11658	20.9
136.07491	1.1
136.08386	2.3
136.12024	0.5
153.01796	0.9
153.05478	2.6
153.09076	30.3
153.12714	12.7
154.04977	0.8
154.08528	1.6
154.09624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0543
Annotation	4-Hydroxymethylsalicylaldehyde
Peak:m/z	Relative Intensity
53.03938	2.8
53.04632	0.2
55.01853	0.5
55.05505	2.3
57.03411	0.5
57.07058	0.2
59.04976	0.3
65.03931	1.3
67.01847	0.5
67.05502	1.4
68.99776	0.3
69.03422	0.9
69.07054	3.1
69.87044	0.8
69.87469	0.3
70.07973	0.2
70.94225	0.3
70.95860	0.3
71.04980	2.9
73.06544	1.1
77.03918	0.6
77.37904	0.2
79.05479	5.0
81.03391	0.4
81.07043	5.2
83.04955	1.4
83.08618	0.2
85.06502	0.2
91.05466	1.0
92.02592	1.4
93.03388	0.6
93.07024	3.5
95.04952	14.2
95.08580	1.2
95.46127	0.2
96.05258	0.3
97.02910	0.2
97.06522	1.3
100.90540	0.2
105.03357	0.6
105.04472	1.2
107.04943	1.6
107.08577	3.9
109.06496	0.8
109.10143	1.1
111.04430	1.1
111.08064	1.4
111.96832	0.2
112.07598	0.2
115.97638	0.2
116.70477	0.2
120.01991	0.3
121.02844	10.5
122.03170	0.3
125.05988	0.6
125.09612	0.5
135.04391	100.0
135.07875	1.4
135.11665	2.0
136.04729	3.3
136.07542	0.2
136.69688	0.2
138.03070	0.4
138.06696	0.4
139.03796	0.2
140.77261	0.2
143.24416	0.2
153.01816	3.1
153.05450	1.5
153.08109	0.2
153.09122	1.6
153.12717	2.4
154.08617	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0546
Annotation	Methyl 4-hydroxybenzoate
Peak:m/z	Relative Intensity
51.73831	0.2
52.94168	0.2
55.01896	0.3
55.05491	0.2
59.06860	0.2
60.04591	0.2
62.24200	0.2
65.03933	3.7
67.05502	0.3
69.03426	0.2
69.07054	0.4
69.55740	1.5
71.04971	0.3
79.05508	0.4
81.07055	0.3
83.04992	0.3
93.03393	1.9
93.07032	0.6
95.04972	1.5
95.08604	0.4
97.06528	0.3
107.08572	1.0
109.06519	0.4
109.10218	0.4
110.03603	0.2
111.04441	1.8
121.02854	100.0
122.03193	2.7
125.05972	0.4
135.04407	0.5
135.08052	0.4
135.11644	0.4
136.07581	0.3
153.05447	8.1
153.09044	0.3
153.12701	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
53.03926	0.4
55.01853	0.6
55.05504	6.6
57.03425	0.4
59.04977	0.2
65.03934	1.5
67.01808	0.2
67.05486	0.5
68.99770	0.2
69.03432	0.8
69.07055	1.2
70.07967	0.7
70.94254	1.1
70.95853	0.3
71.01338	0.1
71.04984	0.8
71.94084	0.5
73.06526	0.3
76.19766	0.1
79.05478	1.3
80.05007	0.2
81.03413	0.3
81.07053	1.6
83.04971	7.1
83.08637	0.2
84.05258	0.2
87.11755	0.1
88.95295	0.2
91.05486	0.9
93.03373	0.4
93.07022	2.1
95.04958	1.8
95.08595	0.9
97.02901	0.3
97.06513	1.5
99.04427	0.3
107.04937	0.5
107.08589	2.5
108.08108	0.3
108.08858	0.1
109.06496	1.4
109.10131	1.1
109.53358	0.1
110.03646	0.3
111.04425	100.0
111.07999	0.8
111.96863	0.6
112.04746	2.3
112.07609	0.4
112.96693	0.2
121.02870	0.2
121.06486	0.1
125.05998	1.1
125.06784	0.2
125.09660	0.3
129.97893	0.8
135.04414	2.5
135.08066	0.5
135.11682	1.2
136.07576	1.0
137.05986	0.2
153.01880	1.0
153.05470	1.7
153.06598	0.2
153.09088	1.3
153.12744	1.9
154.04942	0.3
154.08607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0704
Annotation	L-Phenylglycine
Peak:m/z	Relative Intensity
53.03922	0.3
54.03787	0.2
55.01863	0.7
55.05503	1.1
56.96556	2.1
57.03425	1.4
59.04990	0.6
61.02906	0.6
65.03928	1.8
67.05487	1.5
68.42373	0.2
69.03418	2.3
69.07050	0.8
70.94256	1.1
70.95849	1.2
71.04967	0.8
71.62221	0.3
73.02937	0.2
74.97590	0.3
75.01052	0.2
75.04491	0.3
77.00765	0.8
79.05478	14.0
80.05006	0.5
80.05808	0.6
81.03391	0.5
81.07043	1.7
82.07374	0.5
83.00766	0.7
83.04978	1.7
84.08126	0.3
85.02900	0.4
86.01299	0.2
88.95280	0.4
88.96893	0.6
89.00764	0.8
90.01537	0.2
91.05460	1.5
92.01283	0.7
92.04989	0.4
92.05801	0.3
93.03373	0.6
93.07024	3.4
94.07352	0.3
95.04960	4.0
95.08605	0.7
96.01509	0.3
96.04489	0.4
96.05265	0.2
96.08102	0.7
96.08930	0.4
97.02884	0.5
97.06519	1.7
98.01269	2.2
98.97556	1.3
99.04445	0.4
102.01550	0.6
105.02040	0.7
106.06535	100.0
107.01796	2.4
107.04940	5.2
107.06145	0.3
107.06858	2.4
107.08566	2.8
108.04456	0.3
108.08896	0.4
109.06527	1.2
109.10136	1.0
110.03603	0.5
110.05996	0.7
110.06743	0.2
110.97533	0.4
111.02045	2.4
111.04421	5.0
111.08042	1.0
111.96851	0.7
111.98437	0.3
112.02805	0.3
116.98601	1.4
118.52588	0.4
120.02563	3.6
121.02833	0.3
123.04446	0.5
124.02145	0.3
124.03942	0.4
124.04789	0.4
124.07584	2.0
124.08382	0.4
125.02359	0.2
125.05972	2.0
125.09634	0.7
126.02561	0.3
128.98572	0.4
129.03070	5.2
129.03998	0.4
129.53241	0.3
129.97887	0.8
131.53305	0.5
134.05989	30.1
134.99640	0.8
135.04384	4.4
135.06352	0.9
135.08005	1.5
135.11685	0.9
138.03629	1.2
140.53845	0.6
146.97333	0.3
146.99619	0.7
152.01630	5.1
152.03288	0.6
152.04282	0.9
152.05655	1.1
152.07027	5.2
152.10666	0.9
152.11714	0.3
152.14317	0.3
153.01813	0.8
153.04120	0.4
153.05438	2.4
153.06581	0.4
153.09093	1.2
153.12714	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1115
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
50.79955	0.4
53.03922	0.7
53.41837	0.4
55.01859	1.3
55.05493	2.4
57.03419	0.7
57.07047	0.9
59.04980	0.8
61.86912	0.4
62.56693	0.5
65.03928	1.0
67.05495	6.8
69.03422	3.3
69.07049	1.7
70.60468	0.4
71.04973	0.6
71.62673	0.7
79.05501	3.9
80.65677	0.4
81.03402	0.9
81.07047	15.6
83.04973	0.8
91.05461	6.7
93.07035	5.2
95.04950	3.8
95.08591	5.8
97.06505	1.1
105.07021	8.7
107.04912	0.9
107.08571	5.9
109.06495	12.5
109.09451	0.6
109.10143	7.0
119.04900	1.2
121.06451	1.1
121.10130	1.5
123.04423	1.9
123.08043	5.1
123.11674	4.0
124.07541	2.2
131.08527	0.8
133.10115	5.2
136.08807	1.2
151.02876	0.5
151.03941	3.9
151.04990	0.7
151.07629	3.9
151.11162	100.0
152.01648	0.8
152.07016	0.7
152.11528	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1479
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03928	0.8
55.05497	5.2
56.96556	0.8
57.03415	0.9
57.07064	0.9
65.03932	2.0
67.05494	79.7
68.05828	2.2
68.96324	0.8
69.03401	0.6
69.07057	5.4
70.82311	0.5
70.82652	1.5
77.00800	0.7
77.03870	0.5
79.05474	5.7
80.32069	0.6
81.07045	46.3
82.07376	0.8
83.04977	1.1
83.08605	1.4
89.06022	2.1
91.05482	2.6
93.07032	7.0
95.04959	2.2
95.08590	100.0
96.08950	2.9
97.01021	0.6
98.01245	0.8
98.04328	0.6
98.97565	0.6
99.51265	1.1
105.07014	4.2
107.01797	1.2
107.05054	0.5
107.08585	4.6
109.06493	3.3
109.10137	52.5
110.10478	2.4
111.02032	2.0
116.98684	0.6
120.02588	1.2
123.04417	1.4
123.08059	3.0
123.08991	0.5
123.11672	1.7
129.03073	1.7
133.10110	3.0
134.05969	0.7
138.03566	0.9
151.02838	0.8
151.03914	1.6
151.07491	3.1
151.08566	0.9
151.11166	5.5
151.14793	13.2
152.01601	2.4
152.03371	0.7
152.06985	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1115
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
52.03145	0.6
53.03938	4.8
55.01866	4.2
55.05501	80.4
56.05832	1.4
57.03417	2.0
57.07055	1.7
57.25245	0.6
59.04980	2.9
62.56035	0.8
65.03926	10.0
67.05493	24.2
68.99773	1.2
69.03421	3.3
69.07048	4.2
69.32846	2.5
69.33276	4.3
71.04980	1.0
77.03897	1.0
79.05109	0.7
79.05485	7.4
80.02608	1.2
81.03395	1.3
81.07043	38.5
83.04977	1.2
83.07751	0.6
85.02879	1.5
85.06480	0.7
91.04887	0.9
91.05462	14.6
93.03378	0.6
93.07029	10.6
95.04956	18.6
95.08589	7.9
97.06510	12.3
98.20725	1.4
105.07012	13.7
107.04923	0.6
107.08575	21.7
108.02075	10.0
109.02828	1.8
109.06506	13.5
109.10140	25.8
109.10905	1.2
110.07307	0.8
110.10484	0.6
111.04430	2.3
112.01569	1.3
119.04939	3.5
121.10104	2.5
123.04421	4.7
123.08037	6.0
123.11684	16.1
133.06412	1.2
133.10098	9.2
135.93167	0.6
136.01534	1.9
136.08788	0.9
141.05453	12.8
151.03873	100.0
151.05017	24.8
151.07489	11.0
151.11153	34.8
151.97423	1.3
152.01607	1.7
152.04202	3.6
152.05396	2.1
152.06822	0.8
152.11487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0388
Annotation	Piperonal
Peak:m/z	Relative Intensity
53.03745	0.6
53.03941	6.6
55.01854	2.3
55.05499	2.5
57.03418	0.6
57.07047	0.6
59.04979	0.5
65.03927	5.8
67.05494	11.7
69.03420	2.5
69.07043	1.6
69.82066	1.4
69.82497	1.6
77.03907	1.5
79.05478	4.6
81.03400	1.6
81.07043	14.4
89.06030	0.7
91.05466	4.3
93.07027	5.4
95.04955	31.2
95.08589	5.8
97.06513	0.5
98.03657	0.7
105.03406	2.4
105.04503	2.5
105.07010	6.8
107.04950	0.9
107.08570	6.1
108.02087	8.5
109.06507	8.0
109.10133	7.0
111.04436	1.2
119.04955	0.7
120.02571	0.6
121.10114	0.7
123.04427	4.6
123.08055	5.0
123.11700	5.5
127.07526	2.9
127.56828	0.5
133.02879	0.6
133.03862	0.5
133.06482	1.3
133.10104	4.5
136.01537	19.1
136.05161	1.5
151.03883	100.0
151.07472	6.8
151.11159	22.0
151.12115	0.4
151.34503	0.6
152.01651	1.1
152.04256	3.5
152.11560	0.9
154.02585	63.3
155.02917	2.4
156.34479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1115
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
51.02361	0.6
52.58564	0.5
53.03930	3.7
55.01850	1.7
55.05500	100.0
56.05842	1.5
57.03423	1.6
57.07076	2.8
59.04990	4.0
61.02906	0.9
65.03934	2.3
67.05492	24.9
69.03410	3.2
69.07056	3.9
69.59293	4.6
71.04978	1.3
77.03867	0.7
79.05477	10.6
81.03410	1.9
81.07042	42.1
82.07343	0.7
83.04975	1.3
83.08616	0.9
85.06511	0.6
89.06025	2.0
91.05466	15.0
93.03407	0.6
93.07029	15.4
95.01300	0.6
95.04353	1.0
95.04951	16.6
95.08590	16.3
97.02934	0.6
97.06513	15.3
103.05464	0.8
105.07009	18.3
106.06551	0.7
106.07304	0.9
107.04931	1.9
107.08578	23.8
108.02068	0.7
108.05741	1.5
108.09428	0.7
109.06493	16.7
109.10136	35.8
110.07270	0.8
110.10464	0.8
110.57101	0.5
111.04423	0.9
119.04901	3.6
121.06473	1.0
121.10133	2.2
123.04404	7.3
123.08039	12.2
123.11680	17.1
125.09607	0.7
129.03073	0.8
131.08531	0.7
133.04832	1.7
133.06450	1.3
133.10103	11.4
134.06013	0.8
135.73413	0.5
136.08853	0.9
141.05484	1.5
151.02878	1.0
151.03908	16.1
151.05008	2.8
151.07521	28.1
151.08504	1.1
151.11148	34.8
152.01628	3.6
152.04358	0.9
152.07019	2.1
152.08051	0.9
152.11546	0.8
167.88759	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1115
Annotation	CARVONE
Peak:m/z	Relative Intensity
51.02360	1.3
53.03934	5.1
55.01866	5.7
55.05500	75.1
55.68865	0.8
56.00160	0.8
56.05833	1.0
57.03406	2.4
57.07061	2.3
59.04696	0.8
59.04974	3.9
65.03925	9.0
65.61230	0.9
67.05492	29.8
68.99778	1.7
69.03400	3.7
69.07047	3.1
69.44882	4.7
69.45312	3.9
71.04967	2.2
74.70715	1.0
77.03894	1.7
79.05474	11.6
80.02577	1.0
81.03388	1.3
81.07040	46.7
83.04951	1.0
85.66105	0.8
89.06039	1.4
91.05466	18.5
92.05779	1.0
93.03375	1.0
93.07026	25.0
95.01312	1.2
95.04350	1.4
95.04951	22.4
95.08581	11.6
97.06503	12.6
105.04469	1.5
105.07004	20.6
107.04929	1.3
107.08572	26.0
108.02071	11.7
108.05716	1.4
109.02872	2.4
109.06491	19.0
109.10132	27.8
110.10482	1.0
111.04408	1.6
112.01545	1.5
119.04922	4.6
120.05090	0.9
121.10126	2.8
123.04401	10.4
123.08058	12.3
123.11681	18.7
124.07555	0.9
131.08528	1.0
133.02831	1.0
133.06465	1.7
133.10103	13.3
134.10481	1.2
136.01547	1.5
137.05992	1.3
141.05429	10.9
151.03870	100.0
151.05013	22.2
151.07503	15.2
151.11148	39.9
152.01640	2.4
152.04277	4.5
152.05351	1.3
152.06989	2.0
152.08099	1.2
152.11511	1.8
163.02527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03946	1.3
55.05499	3.2
57.07066	3.2
65.03933	6.2
69.07048	4.2
71.16911	0.8
71.17235	1.7
79.05476	8.2
81.07025	2.1
91.05464	9.7
93.03387	1.8
93.07019	15.8
95.04948	1.0
96.18539	0.9
103.05471	3.2
105.07013	21.8
106.07799	1.2
107.08575	38.3
108.08906	0.9
109.06537	2.3
111.04456	1.1
119.06043	1.0
119.08553	7.9
120.09390	2.1
121.02856	9.2
121.03954	1.7
121.10122	100.0
122.10485	3.2
123.08064	6.0
131.04912	1.1
131.08501	1.2
133.07607	1.9
133.10101	1.5
149.02322	24.5
149.03482	1.7
149.05937	2.5
149.09566	7.4
149.13239	21.9
150.02660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1322
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03934	3.5
55.01849	2.1
55.05495	7.1
65.03926	25.3
67.05502	8.0
69.07056	16.7
74.89875	1.2
79.05049	2.0
79.05478	25.9
81.07041	32.8
82.07339	1.6
85.02917	1.2
86.78020	1.2
91.05469	16.4
93.03371	5.5
93.07029	88.5
94.07366	2.5
95.04941	4.4
95.08591	8.5
96.93839	1.2
98.03661	1.8
103.05460	1.5
105.03310	1.6
105.07000	5.3
107.04917	6.0
107.08574	62.5
108.04458	1.5
108.08900	1.4
109.06464	1.7
111.04416	5.3
112.63023	1.2
119.08542	1.5
121.02844	36.2
121.03946	6.6
121.06506	1.5
121.10123	29.1
122.03166	1.6
122.06033	1.8
131.08521	3.1
147.11621	1.2
149.02319	100.0
149.05972	3.8
149.09566	5.7
149.13237	74.7
150.02650	4.8
150.03709	1.8
150.05498	1.5
150.13640	2.6
158.27887	1.3
160.33894	1.2
169.68279	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0387
Annotation	Piperonal
Peak:m/z	Relative Intensity
53.03922	2.1
55.01873	4.0
55.05501	35.8
56.05824	0.7
57.03431	0.8
57.07052	1.4
59.04972	1.5
65.03929	8.2
67.05490	15.3
68.99767	0.9
69.03410	1.0
69.07050	0.9
69.59324	0.6
70.67799	1.3
71.01334	1.0
71.04950	0.8
71.11235	0.6
71.16512	0.5
77.03909	1.5
79.05481	4.7
80.02618	0.7
81.03406	0.7
81.07040	16.2
84.02130	0.7
85.02880	1.0
89.06023	0.6
91.05457	9.8
93.07039	6.4
95.04944	10.8
95.08595	3.9
97.06513	6.2
105.04475	1.2
105.07016	7.3
107.08565	8.6
108.02071	13.3
109.02863	1.8
109.06510	6.9
109.10148	10.3
110.10455	0.7
111.04400	3.6
112.01565	1.2
119.04899	3.7
121.03954	1.2
121.10106	1.2
123.04395	4.8
123.08048	2.5
123.11686	6.0
133.10098	4.9
136.01526	1.9
141.05438	11.1
142.05711	0.7
142.86700	0.6
151.03877	100.0
151.05020	24.2
151.07455	6.8
151.11150	15.5
152.04202	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	151.0387
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02365	0.4
52.03145	0.4
53.03935	2.8
55.01860	3.9
55.05504	2.6
55.76310	0.3
56.96548	0.5
57.03421	0.6
57.07064	0.3
57.73530	0.3
59.64588	0.3
60.44758	0.3
61.02913	0.7
65.03596	0.5
65.03930	9.0
66.04261	0.3
67.05493	11.3
68.99786	0.4
69.03412	1.0
69.07061	0.6
71.01334	0.7
71.62281	0.5
77.03917	1.0
79.05479	2.9
80.02621	1.1
80.66448	0.4
81.03411	1.0
81.07041	6.9
84.02103	0.3
85.02893	1.1
89.06015	0.7
91.01847	0.4
91.05464	9.1
93.03384	0.9
93.07025	4.2
95.01319	0.7
95.04951	9.1
95.08597	3.0
96.08092	0.4
98.97586	0.4
105.03383	2.1
105.04503	1.1
105.07015	5.1
107.04928	0.9
107.08570	3.4
108.02076	12.2
109.02899	2.1
109.06488	4.3
109.10130	3.2
111.01998	0.3
111.04434	2.6
112.01582	0.7
119.01878	0.4
119.04909	4.7
121.03986	0.9
121.10185	0.6
123.04412	3.2
123.08044	3.3
123.11710	2.7
123.12518	0.5
129.03111	0.4
133.02789	0.4
133.04778	0.5
133.06450	0.8
133.10132	2.1
135.04425	0.6
136.01535	1.6
136.05173	0.8
137.05942	0.6
141.05440	12.9
142.05775	0.4
150.96887	0.6
151.03883	100.0
151.05017	23.4
151.07486	10.5
151.11150	3.9
152.01631	1.2
152.04242	3.5
152.05394	0.8
152.06981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1323
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03923	1.9
55.01868	2.0
55.05484	3.1
57.07055	2.5
64.99915	1.4
65.03927	16.2
69.07050	6.3
70.44696	2.1
70.45092	2.3
74.14584	1.0
79.05482	11.8
81.07039	3.1
89.03908	2.9
91.05471	15.2
93.03402	3.9
93.07041	21.6
95.04939	2.8
103.05459	3.9
103.95758	1.4
105.07011	23.1
107.08585	45.1
109.06499	1.3
109.71935	1.1
111.04440	2.7
117.03383	1.6
119.08588	5.8
121.02856	22.8
121.03959	3.8
121.06487	2.5
121.10130	100.0
122.10474	3.9
123.08037	4.3
131.04929	2.7
131.08510	2.4
133.07626	1.8
134.10866	2.3
149.02330	55.5
149.05986	3.6
149.09598	12.9
149.12160	2.2
149.13257	24.1
150.02617	2.5
150.13698	1.1
169.03447	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	147.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.1
55.01847	2.0
55.05502	13.4
56.76144	1.0
57.03419	3.5
61.02910	3.3
61.38226	1.0
64.61115	0.9
64.92773	3.1
65.03931	5.9
67.05487	2.4
69.03420	28.1
69.23931	0.9
69.67056	7.2
70.03732	1.1
71.04972	3.1
73.02901	1.3
77.77177	0.9
79.05502	6.2
81.03400	2.5
81.07049	2.2
83.04967	7.9
84.04475	2.1
85.02895	8.2
87.04454	2.0
91.05469	100.0
92.05808	4.4
93.07026	3.2
98.21384	1.8
99.04446	1.3
103.03904	1.4
103.05436	1.9
105.07017	84.7
106.07338	3.0
107.08572	4.1
109.82317	1.0
111.04420	2.8
117.06989	9.1
119.04930	98.2
119.08565	88.2
120.05254	5.4
120.08904	2.7
123.96418	3.5
129.05482	1.4
131.08559	1.9
132.09302	4.0
145.10120	6.9
147.04398	63.8
147.08026	4.0
147.11667	87.4
148.04692	3.4
148.12007	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	149.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27002	0.7
53.03933	2.4
53.53337	0.6
53.96156	0.6
55.01847	2.8
55.05486	1.0
56.96556	1.8
57.03422	1.3
57.07060	4.0
58.06584	1.1
58.10149	0.6
59.04998	4.2
59.07357	1.5
61.02908	2.0
65.03596	1.3
65.03930	20.7
67.05489	7.1
68.99767	1.0
69.03406	1.2
69.87025	4.1
71.04974	2.4
71.11108	0.6
73.02895	1.7
79.05479	6.0
81.07030	0.7
83.04935	0.8
85.02895	3.3
85.04818	0.8
85.06519	9.3
88.07631	0.8
91.05460	8.3
93.03382	6.8
93.07023	9.8
94.06545	2.2
95.04957	7.3
95.08591	1.4
98.03677	1.3
101.02373	2.1
103.03925	1.6
103.05444	14.9
103.07571	7.2
105.04443	0.9
105.07001	1.2
107.04930	3.4
107.08599	0.9
108.04459	0.8
111.04418	6.4
113.05981	4.0
119.08555	0.8
121.02846	35.8
121.03946	6.6
121.06481	15.6
121.10118	2.4
122.03178	1.0
122.06021	1.8
122.06823	0.9
123.07904	3.5
126.59468	3.0
131.04935	3.1
131.05956	0.6
131.07042	1.3
131.08504	0.7
133.03467	1.0
142.03445	1.0
145.03499	0.7
149.02318	100.0
149.05951	12.8
149.07056	2.5
149.09567	4.2
150.02654	4.2
150.03737	1.5
150.05453	3.1
150.06625	1.1
150.07726	4.9
150.09033	1.6
167.03366	2.1
169.03467	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0959
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.12682	1.3
53.03935	1.6
55.01851	2.4
65.03916	3.4
67.11195	1.0
69.03415	2.1
70.05630	5.8
79.05488	12.7
81.07043	1.8
89.03873	1.3
91.05470	29.9
93.03412	1.7
93.07033	24.3
95.04945	3.4
103.05461	4.4
105.07024	27.2
106.07278	1.2
107.04925	1.7
107.08584	6.2
109.06506	2.9
115.05431	3.2
116.06236	10.3
119.06031	1.0
119.08545	3.2
121.02868	6.9
121.06492	15.6
121.09302	2.5
121.10127	33.8
122.10435	1.5
123.08031	3.4
126.45984	1.1
129.06984	3.2
131.04872	1.7
131.08563	18.0
133.07579	1.7
134.07281	1.9
145.52644	1.0
147.08040	2.3
149.02319	20.8
149.05945	3.5
149.09599	100.0
149.13277	2.0
150.09917	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	147.1165
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03932	3.0
55.05507	16.7
57.03426	2.9
65.03921	7.1
67.05482	3.1
69.03069	3.0
69.03414	32.6
69.07047	2.0
69.53549	7.3
69.53974	6.9
71.04972	2.3
73.02894	1.8
79.05478	5.3
81.03400	2.5
81.07063	1.8
83.04966	7.7
84.04472	1.6
84.06420	1.5
85.02894	8.8
91.05465	97.0
92.05783	3.6
97.71255	1.8
103.05449	3.4
105.07016	89.2
106.07344	2.9
107.08563	4.2
111.04453	2.6
116.90149	1.6
117.06998	10.1
118.88647	1.7
119.04919	97.7
119.08558	89.4
120.05267	5.5
120.08874	4.0
123.96465	8.9
132.09306	5.1
137.59740	1.7
145.10117	8.9
147.03207	3.3
147.04387	65.9
147.05383	2.6
147.08046	5.5
147.11670	100.0
148.04716	3.2
148.12006	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	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03928	1.4
55.01863	1.5
55.05507	9.4
57.03408	1.8
61.02921	2.0
64.92783	2.2
65.03922	7.1
69.03424	15.2
69.07042	1.8
71.04976	1.4
71.16447	2.4
79.05489	5.0
81.03407	2.1
81.07010	1.7
83.04979	5.3
84.04481	1.2
85.02896	5.5
85.23853	1.0
91.05467	87.3
92.05793	3.4
92.09799	0.9
93.07050	1.1
95.05005	1.0
103.05447	1.1
104.06302	1.0
105.07015	89.4
106.07338	3.4
107.08598	2.1
111.04414	1.6
117.07005	6.0
119.04926	100.0
119.08564	61.4
119.42471	0.9
120.05245	5.0
120.08871	2.5
123.96446	6.7
132.09386	1.8
145.10121	5.0
147.04390	64.9
147.08047	2.6
147.11661	68.0
148.04762	2.7
148.12016	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	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.23809	0.8
53.03929	2.2
55.01847	3.1
55.05500	20.1
57.03418	6.1
59.04994	0.9
61.02911	4.6
64.92797	5.6
65.03914	3.8
67.05480	3.5
69.03416	64.3
69.07041	3.1
70.03748	1.1
70.88670	1.7
70.88999	1.1
71.01321	1.1
71.04974	5.3
73.02893	3.4
79.05475	6.4
81.03412	5.5
81.07050	2.3
83.04964	15.7
84.04470	2.9
84.08124	1.9
85.02889	19.5
85.03383	0.6
87.04439	2.9
91.05461	74.1
92.05799	2.3
93.07025	3.8
95.04942	1.7
99.04438	1.8
102.05500	1.2
103.03924	1.2
103.05434	4.1
105.07011	82.0
105.95449	1.0
106.07282	4.4
107.04931	7.8
107.08578	4.4
111.04411	6.4
117.07001	10.8
118.07803	1.2
119.04917	54.3
119.08556	100.0
120.04452	1.3
120.05257	3.7
120.08883	4.1
123.96429	14.9
128.06149	0.9
129.05440	1.7
129.06982	3.6
132.05682	3.5
132.06677	1.0
132.09319	3.3
145.06371	0.9
145.10098	5.4
146.97992	2.4
147.04395	35.4
147.05464	3.2
147.06534	2.5
147.08023	37.8
147.09096	2.1
147.11656	68.7
148.03831	1.7
148.04889	1.5
148.07376	1.0
148.08388	2.6
148.12004	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	147.1166
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03940	1.5
55.05509	5.7
57.03433	1.4
59.86278	0.7
61.02900	1.0
61.19883	0.9
65.03926	3.4
67.05487	1.0
69.03428	13.8
69.07058	1.5
69.79868	1.6
69.80280	3.4
77.03893	0.7
79.05486	2.8
81.03418	1.7
83.04966	3.7
84.04505	0.9
85.02909	5.9
88.05540	0.8
89.14479	0.8
91.05473	59.8
92.05799	3.3
93.07015	2.6
102.05480	0.7
103.05432	2.4
104.06252	1.2
105.07021	42.4
106.07341	1.7
107.04925	0.9
107.08584	11.6
116.06219	1.6
117.07016	8.3
119.04933	53.6
119.08568	100.0
120.05251	2.8
120.08884	4.6
129.07007	3.2
129.57281	0.7
131.08565	1.9
132.05711	1.1
132.09351	5.2
145.10130	5.8
147.04404	33.0
147.08023	13.1
147.11671	68.4
148.04761	2.3
148.08453	1.1
148.12030	3.9
158.11696	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1166
Annotation	Viridiene
Peak:m/z	Relative Intensity
50.41600	1.0
55.05499	5.8
57.03413	1.5
65.03931	6.6
69.03127	1.2
69.03426	13.7
69.07068	2.5
70.90850	3.0
79.05489	3.3
81.03407	2.2
83.04959	3.7
84.04482	1.5
85.02873	4.1
91.05472	91.3
92.05793	3.6
93.06995	1.8
102.27803	1.0
103.05436	2.0
105.07021	49.4
105.11654	1.0
107.08587	4.6
116.06236	1.3
117.06996	5.1
119.04933	100.0
119.08572	63.5
119.09454	2.2
120.05260	4.8
120.08900	3.6
129.06999	1.6
130.07802	1.0
131.08575	1.7
132.09331	3.2
135.46770	1.2
145.10115	7.1
147.04398	72.9
147.08028	5.0
147.11676	62.2
148.04739	5.0
148.12051	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	147.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.8
65.03914	5.3
67.05496	1.5
68.79015	1.0
69.03430	8.5
69.07045	3.0
70.12288	5.7
77.25159	1.1
79.05472	3.1
81.30225	1.1
83.04950	2.2
85.02293	1.2
85.02872	2.2
85.64494	1.1
91.05466	96.1
92.05804	3.4
93.07030	2.5
98.21396	1.6
99.04397	1.2
103.05428	1.5
105.07014	60.3
106.07339	1.9
107.08581	4.4
116.06277	1.1
117.06998	6.9
119.04929	100.0
119.08562	68.1
120.05256	3.9
120.08912	2.7
129.07021	1.8
131.08546	1.3
132.09331	4.4
145.10088	7.9
147.04391	80.6
147.07991	5.2
147.11667	74.0
148.04739	4.5
148.12003	3.7
158.21100	1.2
169.33713	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0437
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03936	2.6
55.01856	3.9
55.05503	8.1
57.03425	7.9
61.02920	5.1
64.92796	11.6
65.03940	7.4
67.05488	1.4
69.03419	72.4
70.03749	1.4
71.04985	4.7
71.62604	0.9
73.02901	2.7
73.86447	0.7
79.05475	2.1
81.03399	6.4
81.45128	1.0
83.04964	19.6
84.04485	3.6
84.08122	1.4
85.02411	1.7
85.02894	20.1
87.04456	2.1
89.21645	0.8
91.05469	81.9
92.05811	2.0
93.07040	1.0
99.04469	2.5
103.03931	2.3
105.07005	10.0
111.04437	6.0
117.05491	0.8
117.07023	1.2
119.04929	100.0
119.08553	11.6
120.05230	4.2
123.96436	23.7
129.05473	2.4
129.06976	0.9
145.10115	1.1
146.98010	3.7
147.04398	67.6
147.05461	5.3
147.06473	2.6
147.08034	4.7
147.09109	1.7
147.11662	10.2
148.04854	4.0
148.05760	1.1
148.07553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	5.4
66.08966	0.6
69.03404	2.2
69.32836	4.2
69.33254	2.5
83.04970	1.0
91.05466	70.6
92.05806	2.4
94.54794	0.5
95.04964	0.6
97.93437	0.5
105.07024	4.1
117.06972	0.8
119.04921	100.0
119.08546	4.4
120.05246	3.8
124.01207	0.6
147.04387	62.3
147.11674	3.6
148.04683	3.0
160.47189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0438
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.05487	0.9
65.03936	6.8
69.03417	5.1
69.34731	0.7
69.64120	1.6
69.64529	3.6
70.07851	0.6
79.05474	0.9
85.02877	1.0
90.89635	0.6
91.05470	84.2
92.05817	2.1
94.89492	0.7
95.04965	0.9
98.21505	0.9
103.05466	0.6
105.07024	7.2
107.08572	0.9
117.07015	1.6
119.04926	100.0
119.08572	13.0
120.05273	4.1
123.72357	0.7
132.09328	1.6
144.71254	0.7
145.10091	1.6
147.04393	73.5
147.11696	8.9
148.04739	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	147.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01851	1.7
55.05506	4.1
56.05018	3.3
57.03434	4.8
60.04493	0.5
61.02922	2.8
65.03932	0.5
67.05480	0.8
68.01060	0.4
69.03419	34.8
70.03748	0.7
70.40802	1.3
70.41152	0.6
71.01277	0.4
71.04980	2.3
72.08166	0.5
73.02909	1.8
81.03417	2.6
82.22822	0.4
83.04967	7.7
83.06915	0.6
84.04491	100.0
84.08127	12.8
84.08532	0.3
85.02891	11.5
85.04841	0.6
85.06525	2.3
86.06059	0.5
87.04459	1.5
88.03974	1.1
88.04771	0.9
91.05467	4.2
99.04452	1.7
100.02454	0.6
100.07597	0.9
101.01721	2.3
101.07140	2.2
101.07942	3.1
101.53178	0.5
102.05528	13.2
102.09163	2.5
103.03163	0.4
103.03911	0.8
105.07056	0.5
106.05002	0.5
108.07262	0.5
111.04407	3.0
113.31991	0.5
117.05473	0.5
119.04913	6.0
121.04198	0.5
129.05434	1.1
130.04982	33.2
130.08617	2.4
131.05313	0.7
133.03560	0.5
145.22095	0.4
147.02145	0.5
147.04382	4.0
147.06509	1.5
147.07660	1.2
147.09610	0.9
148.06020	1.9
148.09641	0.5
162.76427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1064
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.52216	2.1
55.05495	13.6
56.56122	2.2
57.07072	14.2
60.49410	2.1
64.44199	2.3
67.05493	6.3
69.03415	7.0
69.34309	23.2
71.04980	100.0
73.06532	11.9
77.81487	1.9
79.05456	5.2
81.07044	6.0
83.04945	9.6
83.08615	12.5
85.06005	2.8
85.06526	52.4
97.10170	12.6
107.08587	40.3
125.02369	3.2
125.09611	27.1
137.40150	2.0
143.03368	9.6
143.10661	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	143.1064
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
53.03917	1.2
53.55687	1.2
55.01867	3.0
55.05503	48.6
57.07052	5.4
59.04996	7.6
67.05502	2.2
69.03422	12.2
69.07066	6.7
70.06571	1.2
70.20335	1.1
71.04980	16.7
71.61649	1.2
73.06544	2.0
77.69196	1.1
81.07033	2.8
83.04971	4.6
83.08606	100.0
84.08945	2.3
85.02893	2.7
85.06519	7.0
87.65444	1.1
97.02869	7.9
97.10159	25.7
98.06044	2.4
101.06031	1.4
101.09656	2.6
107.08562	6.7
109.71403	1.1
115.36301	1.2
119.01901	2.5
123.53857	1.2
125.02357	14.9
125.09620	7.1
128.06203	5.3
132.21945	1.3
134.15384	1.1
139.01753	2.0
143.03378	55.7
143.08447	2.7
143.10674	7.6
144.06502	2.8
144.08127	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0439
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
54.53025	0.7
55.05494	2.7
57.03416	0.7
58.76373	0.9
64.49608	0.8
65.03926	6.5
69.03418	8.7
69.07052	3.5
70.05928	4.3
77.74496	0.8
83.04982	1.6
85.02876	2.9
91.05470	81.5
92.05776	2.2
105.07018	16.7
107.08577	1.3
111.04469	1.0
117.07015	2.1
119.04929	100.0
119.08571	17.3
120.05272	4.4
126.11398	0.7
147.04390	64.5
147.08025	2.3
147.11668	13.7
147.12767	1.4
148.04791	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	143.1066
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01855	4.3
55.05503	18.4
57.07072	12.1
59.04993	4.3
67.05486	6.5
69.03429	14.4
69.07058	3.6
69.53592	18.3
70.06554	3.7
71.04984	86.4
72.05299	2.1
73.06553	13.0
73.28718	1.9
74.48257	1.9
79.05482	3.5
81.07040	4.2
83.04964	8.3
83.08614	8.1
85.02914	6.1
85.06528	38.5
97.02876	14.8
97.10168	14.3
98.06040	6.8
107.08587	32.1
108.08910	2.1
125.02335	20.3
125.09626	24.4
126.05537	2.5
128.06212	9.4
139.01799	2.3
143.03381	100.0
143.08485	6.7
143.10664	8.5
144.03651	4.0
144.06546	4.5
144.08037	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	143.1065
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.05501	19.0
57.07071	14.4
59.04999	3.2
64.17762	1.4
67.05493	9.1
69.03412	8.6
69.07053	2.9
69.41152	15.4
69.68851	1.3
69.69332	1.7
71.04979	100.0
72.05303	2.3
73.06548	12.8
79.05488	2.6
81.07024	4.4
83.04967	10.5
83.08599	10.5
85.06524	45.1
91.05470	2.0
97.02857	2.5
97.10140	16.0
107.08575	34.5
108.08961	1.6
125.02317	5.0
125.09608	28.6
128.06212	3.8
129.63174	1.4
143.03372	21.8
143.08249	3.5
143.10660	9.3
161.66393	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1064
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
55.01848	4.0
55.05503	21.9
57.07057	14.7
59.04998	4.6
67.05486	9.5
69.03421	10.9
69.07047	6.7
69.65474	9.0
69.65902	9.5
70.23765	2.4
71.04983	100.0
72.05316	3.7
73.06548	11.8
79.05492	4.6
81.07050	4.6
83.04961	14.0
83.08585	12.5
85.02866	2.6
85.06063	4.0
85.06532	52.4
91.05451	2.8
96.66626	2.3
97.02864	7.8
97.10152	22.1
98.06032	6.2
107.08583	42.2
125.02339	14.7
125.09618	32.7
126.05490	2.3
128.06187	7.0
143.02284	4.6
143.03369	74.2
143.08499	4.6
143.10628	11.7
144.03734	3.3
144.06567	2.7
144.08035	3.8
144.13869	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	142.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00057	2.6
70.11204	2.9
70.16269	12.1
85.50926	2.6
101.00858	16.9
101.65246	2.8
102.93581	2.4
119.01908	100.0
120.01991	7.1
130.36356	2.6
137.02931	36.0
142.03484	33.8
143.03519	2.5
160.04506	17.8
164.93069	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23347	2.8
56.77155	2.8
70.25178	7.0
70.25575	7.2
71.30362	2.6
89.85124	2.7
101.00882	23.3
107.68074	3.1
112.08369	2.7
119.01913	100.0
120.02020	3.3
125.02362	3.3
137.02930	35.2
142.03497	43.3
144.54321	2.9
146.00052	2.8
149.23911	3.0
160.04517	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	142.0861
Annotation	Arecaidine
Peak:m/z	Relative Intensity
53.03933	1.4
55.01862	2.1
55.05502	2.5
55.88843	0.4
56.96547	1.7
57.03428	1.0
57.07019	0.4
58.99841	0.5
59.93114	0.6
60.04514	0.5
64.78294	0.3
67.05491	2.4
67.53106	0.3
68.05000	0.7
69.03416	4.0
69.07046	1.2
70.06569	1.0
71.04952	0.5
71.37746	0.8
72.08131	0.4
73.02895	0.5
79.05479	7.1
80.04999	0.6
81.04525	0.8
81.05776	4.1
81.07043	6.5
82.02933	0.7
82.06564	0.8
82.07386	0.6
83.01340	0.7
83.04961	1.1
83.08629	0.6
85.02891	0.5
94.06559	2.8
95.04942	1.2
96.04475	3.1
96.08115	22.7
97.02866	4.4
97.06520	2.4
97.08487	0.7
97.10181	0.6
98.97554	0.7
100.07632	0.6
101.00847	1.3
106.06557	2.8
107.04984	0.5
110.01252	0.5
111.04475	0.4
112.07623	0.5
114.05457	0.4
114.09143	1.1
116.98634	0.5
118.96761	2.4
119.01898	11.0
119.56079	0.4
119.96072	0.4
124.03966	1.2
124.07571	100.0
124.90427	0.5
125.02345	7.7
125.05971	1.8
125.07096	0.6
125.07906	3.7
130.55177	0.4
137.01929	0.7
137.02927	6.1
140.00110	0.5
142.03479	2.8
142.04929	1.4
142.05873	0.7
142.08615	17.6
142.09727	1.0
142.12236	1.2
143.03369	32.2
143.06998	0.6
143.07947	0.5
143.08987	0.8
160.04550	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30024	1.9
55.01874	4.3
57.03416	3.4
58.99866	2.4
61.02917	2.6
69.03430	5.6
69.55084	4.2
69.55496	11.3
73.02921	4.3
78.52958	2.7
81.04538	22.8
82.01455	2.0
85.02947	2.2
86.52691	4.4
88.02668	5.2
93.53513	2.0
95.06085	15.3
95.53194	2.4
96.02403	3.4
96.04441	2.2
96.08128	2.9
96.72778	1.6
97.02882	3.2
99.53442	3.5
100.02478	5.9
101.00891	23.5
102.02388	3.8
118.03538	5.7
119.01916	100.0
120.02004	4.3
120.03359	2.5
122.53704	4.4
124.02450	2.7
125.02357	3.1
125.07114	16.7
131.01900	3.1
137.02939	32.6
138.03133	2.3
142.03481	34.8
142.08649	2.7
143.03416	20.7
143.08160	11.9
147.42972	1.8
160.04594	13.3
161.02924	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	141.0544
Annotation	5-Methoxyresorcinol
Peak:m/z	Relative Intensity
50.59728	0.3
53.03931	1.1
55.01853	0.4
55.05504	0.6
55.05876	0.3
56.96546	0.3
57.03408	0.3
65.03916	0.5
67.01849	2.1
67.05495	1.8
67.31368	0.3
68.99779	2.3
70.06569	0.3
71.04962	0.7
71.31155	0.4
81.03403	12.5
81.07027	0.7
83.04997	0.4
85.01101	0.6
85.02891	1.0
85.06524	0.3
85.07633	0.6
95.01309	1.2
95.04950	4.4
95.08600	1.7
96.04478	0.4
97.02885	0.3
97.06491	0.5
98.03661	6.1
99.04434	1.1
107.18943	0.3
108.02071	0.8
109.02865	7.6
111.00783	0.4
111.04435	0.5
112.08711	0.7
113.02370	2.0
113.05976	3.3
115.05457	0.4
117.98940	0.3
118.96741	1.0
119.01887	0.7
123.04403	3.5
123.08062	0.5
124.03952	0.4
126.03111	8.8
127.01562	0.6
127.03897	4.4
141.00038	1.2
141.01836	3.4
141.05438	100.0
142.03471	0.4
142.05789	2.6
142.08588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	6.1
55.05500	75.4
57.07051	23.1
65.69752	4.6
66.15926	4.9
69.07059	49.5
71.62696	7.3
81.04556	5.4
83.08605	100.0
87.70650	4.8
93.04490	13.5
95.06077	5.2
97.10147	24.1
120.38251	5.4
121.03963	82.1
122.06824	7.3
138.08981	5.0
139.05003	27.6
139.08636	6.5
139.12292	20.0
140.03381	8.1
140.10559	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	140.0704
Annotation	Myrothenone B
Peak:m/z	Relative Intensity
53.03923	2.0
55.01855	3.2
55.05481	5.1
56.05022	2.0
56.96566	10.9
57.03409	1.7
57.93561	8.2
65.03911	2.0
66.04256	1.4
66.99900	1.7
67.05493	44.9
67.67488	1.5
68.05797	2.5
69.03418	42.2
69.07056	34.3
70.06564	3.2
70.07389	3.0
71.04980	4.1
71.16942	2.5
71.17275	3.3
71.95249	1.6
79.05480	3.1
80.70610	1.4
81.03389	2.1
81.04493	1.6
81.07042	13.9
84.04522	2.0
84.08118	5.1
85.01058	1.7
85.02903	2.6
93.06993	3.2
94.06546	11.9
94.07345	4.5
95.04955	37.1
95.08591	21.0
96.04402	1.4
96.05288	6.0
96.08904	2.4
97.02869	8.8
97.06501	5.9
98.06052	1.6
98.67770	1.7
98.97569	25.7
99.08071	3.3
99.95958	1.6
109.02879	2.7
111.04457	1.8
112.03945	6.5
112.04759	6.1
112.07584	100.0
113.02345	7.9
113.06010	15.7
113.07882	2.1
116.97243	18.2
116.98597	31.8
122.03165	9.5
122.06004	12.1
122.10474	2.0
123.04407	9.6
123.08040	5.8
125.02334	23.2
128.03461	2.6
134.99638	23.6
140.03406	14.5
140.04449	12.5
140.07053	44.6
140.08119	5.0
140.10558	2.2
140.11499	4.6
140.95096	2.4
141.01805	13.6
141.05469	13.7
141.07469	1.9
141.09062	4.6
148.96153	2.1
153.00665	3.5
156.02937	2.4
158.01158	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	139.0387
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03926	0.6
54.02213	0.2
55.01865	3.3
55.05499	1.8
56.52234	0.2
56.96548	1.4
65.03931	4.4
66.04244	0.2
67.01839	0.7
67.05490	1.3
67.95688	0.2
68.99426	0.4
68.99777	4.5
69.03420	2.7
69.07051	0.5
69.92371	0.7
69.92788	0.5
71.01344	0.7
79.05485	0.3
81.03374	0.2
83.04964	4.2
93.03384	3.3
93.07020	0.8
93.64241	0.2
95.04951	2.2
95.08563	0.6
97.02870	1.9
97.06505	0.6
98.97543	0.4
98.98459	0.9
111.04422	19.1
112.03954	0.2
112.04744	0.5
112.07610	0.2
116.97194	0.6
116.98625	0.4
121.02835	1.7
121.03963	0.6
121.10104	0.3
122.06023	0.2
134.99637	0.4
139.03879	100.0
139.11125	1.5
140.03291	0.5
140.04239	4.0
158.09776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
52.26823	0.2
53.03919	1.0
55.01860	3.4
55.05305	0.2
55.05502	2.0
56.96560	1.8
58.67992	0.2
62.91632	0.2
65.03594	0.3
65.03928	4.3
67.01850	1.1
67.05495	1.4
68.99435	0.3
68.99779	4.2
69.03426	2.4
69.07042	0.5
70.04612	0.7
70.05019	0.3
71.01318	0.6
76.82120	0.2
79.05473	0.4
83.01356	0.2
83.04964	4.5
83.08675	0.2
84.05286	0.3
90.51946	0.2
93.03385	3.2
93.07016	0.7
95.04952	2.3
95.08567	0.5
97.02892	1.6
97.06499	0.7
98.13033	0.2
98.21449	0.4
98.97558	0.5
98.98431	0.8
105.06999	0.2
106.91965	0.2
111.04423	17.4
112.03985	0.4
112.04766	0.7
115.03911	0.2
116.97202	0.7
116.98603	0.6
121.02847	1.7
121.03979	0.5
121.06483	0.3
121.10101	0.7
134.99648	0.4
137.24925	0.2
139.03877	100.0
139.11154	1.7
140.03276	0.4
140.04222	3.5
145.37357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Salicylate
Peak:m/z	Relative Intensity
53.03942	5.3
53.78899	1.1
55.01862	4.6
55.05498	6.2
56.96557	9.4
57.03407	2.2
57.93549	1.5
65.03595	1.5
65.03925	16.8
67.05495	15.2
68.99767	3.0
69.03416	15.1
69.07061	17.8
70.16140	4.5
71.04975	3.4
77.03928	1.8
79.05478	6.6
81.03432	1.0
81.07064	4.8
83.04963	7.1
83.06129	1.2
84.08144	2.3
87.54385	0.8
88.30008	0.9
91.05460	3.0
93.03381	7.8
93.07030	14.4
94.06529	1.2
95.04950	71.8
95.08590	9.9
96.05289	1.6
96.08862	1.3
97.02869	3.1
97.06516	7.7
98.20780	0.9
98.97578	7.0
98.98451	6.2
105.04511	2.7
105.06989	1.2
111.04425	34.0
111.08066	2.9
112.04002	1.2
112.07593	17.8
113.06013	2.1
116.97227	6.8
116.98582	9.8
121.02848	100.0
121.03897	5.0
121.06471	1.9
121.10110	6.8
122.03149	5.6
122.06005	1.7
122.06818	3.1
125.02347	2.4
134.99654	5.8
138.34003	1.0
139.03885	42.6
139.04881	1.5
139.07562	4.8
139.08519	1.0
139.11183	20.5
139.12297	3.0
140.03404	3.3
140.04401	1.3
140.07042	8.3
153.00705	1.7
158.04184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03925	1.9
55.01862	4.4
55.05491	1.5
59.30407	0.5
65.03929	8.1
67.01849	2.9
67.05495	5.8
67.13375	0.5
68.02207	0.4
68.99781	6.5
69.03419	2.4
69.83049	1.0
69.83463	1.8
71.01329	0.8
83.04962	5.0
87.95629	0.4
93.03387	7.2
93.07011	0.6
93.32814	0.4
95.04951	3.6
97.02870	1.9
98.20804	0.6
98.95509	0.6
111.04423	17.2
112.04765	0.6
115.03854	0.5
121.02850	2.0
121.04041	0.5
139.03877	100.0
139.11099	1.1
140.04207	3.0
140.40831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03936	0.8
55.05503	5.6
55.65121	0.6
57.07065	12.4
65.03929	1.0
67.05493	32.5
68.05839	1.0
69.03424	0.8
69.07064	6.8
69.29514	0.6
69.59693	3.7
71.04982	0.6
71.08604	1.0
75.83816	0.6
79.05480	7.4
81.03419	0.8
81.07045	72.6
82.07388	2.0
91.05468	8.8
93.07025	7.0
94.04156	4.2
94.07840	0.7
95.04967	4.8
95.08591	100.0
96.08945	3.6
100.40436	0.6
107.04948	3.3
107.08586	2.6
109.06507	11.1
109.10139	23.4
110.10505	0.9
117.06995	0.7
119.04962	1.0
119.08574	4.0
121.06485	2.4
122.03631	5.4
122.07273	11.8
135.08113	0.6
137.02422	1.9
137.05969	17.9
137.07024	1.2
137.09595	32.0
137.13223	25.7
138.05473	1.7
138.06419	1.0
138.09041	0.8
138.09962	1.9
138.13579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0547
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03943	0.4
55.01873	0.2
65.03905	0.3
65.87049	0.2
67.05477	0.6
70.55598	0.4
78.03446	0.3
91.05462	1.2
92.04986	2.4
93.05746	0.5
93.07026	2.4
94.06548	10.6
95.04945	0.4
95.06885	0.4
96.04477	1.7
98.21417	0.2
100.98610	0.2
103.05439	1.5
110.06018	8.4
120.42469	0.2
121.06478	21.1
121.71341	0.2
122.06855	0.5
138.05469	100.0
139.05812	3.1
147.10107	0.2
154.05009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1322
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03930	1.7
53.60438	0.9
55.01833	1.4
55.05512	6.1
57.06821	1.1
57.07067	16.1
65.03909	2.9
67.05493	29.2
69.03405	1.3
69.07060	7.7
77.27673	0.9
79.05477	8.2
81.03407	1.5
81.07043	65.4
82.07378	2.3
91.05454	8.7
92.10830	1.1
93.07022	11.3
94.04173	10.3
94.06568	1.5
95.04942	4.3
95.08591	100.0
96.04480	1.4
96.08923	3.5
103.05458	1.2
107.04956	2.3
107.08562	2.3
108.05654	1.4
108.16747	1.0
109.06495	7.8
109.10131	17.7
110.06026	2.8
110.10495	1.7
119.04933	2.3
119.08565	2.7
120.04432	2.0
121.06468	10.4
122.03625	17.2
122.07256	8.7
123.07635	1.1
137.02483	8.3
137.05951	48.7
137.07021	2.7
137.09593	31.6
137.10675	1.6
137.13225	25.4
138.01697	2.1
138.05406	8.5
138.06326	2.8
138.09113	2.7
138.10016	2.0
138.13531	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1323
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03930	1.5
55.01823	0.6
55.05501	5.0
57.06779	0.7
57.07064	10.8
65.03920	1.9
67.05492	25.2
68.05820	0.9
69.07055	7.6
69.44341	2.5
69.44769	2.8
71.08622	0.8
79.05476	6.5
81.07041	55.8
82.07374	1.7
91.05461	14.1
92.05805	0.6
93.07027	6.2
94.04180	3.6
95.04942	2.5
95.08588	100.0
96.08932	2.8
98.21476	1.3
107.04941	1.1
107.08571	0.6
109.06512	3.8
109.10138	13.9
119.04910	5.2
119.08540	2.2
120.04439	0.8
121.06466	2.3
122.03600	5.8
122.07275	5.0
137.02438	2.0
137.05951	22.7
137.09595	15.0
137.13226	21.8
138.01743	0.7
138.05453	3.2
138.06355	1.5
138.09042	1.1
138.13545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1322
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03931	1.5
55.01851	0.9
55.05498	4.8
57.07067	13.7
65.03921	2.3
67.05491	36.8
67.49022	0.7
68.05836	0.7
69.03412	1.1
69.07053	7.2
71.08607	0.7
71.14296	1.5
71.14640	0.8
73.94224	0.6
79.05479	9.0
81.03410	1.4
81.07039	74.4
81.17427	0.7
82.07382	2.7
83.04947	0.8
91.05463	12.7
93.07020	7.5
94.04170	3.8
95.04956	6.3
95.08586	100.0
96.08932	4.3
107.04928	3.3
107.08580	2.6
108.09369	0.8
109.06491	12.3
109.10132	24.5
110.10450	1.4
119.04909	2.9
119.05984	0.5
119.08535	4.4
120.08883	0.9
121.06483	6.1
122.03631	6.2
122.07263	13.8
135.08086	0.7
137.02429	2.4
137.05949	22.4
137.09590	37.7
137.13226	25.5
138.05444	3.7
138.06343	1.4
138.09047	1.3
138.09947	1.9
138.13599	1.3
142.83759	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1322
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
53.03919	1.7
55.01854	1.5
55.05502	4.9
57.07064	14.5
58.28048	0.8
63.09464	0.9
65.03918	1.6
66.04694	1.1
67.05493	28.4
69.07056	8.5
70.82329	2.2
71.08630	1.0
79.05474	9.0
81.03391	1.3
81.07043	73.5
82.06565	1.0
82.07375	2.1
91.05468	8.9
93.07027	9.5
94.04175	11.0
95.04961	4.3
95.08592	100.0
96.08949	4.4
107.04922	1.8
107.08551	1.4
109.06498	7.1
109.10136	15.2
110.06033	2.1
110.10432	1.2
111.04459	0.8
119.04900	3.1
119.08565	2.3
120.04441	1.8
121.06484	8.0
122.03635	18.6
122.07275	3.9
137.02452	8.0
137.05952	48.3
137.06995	2.2
137.09599	14.6
137.13229	25.2
138.01741	2.8
138.05467	9.2
138.06360	2.5
138.09100	2.3
138.13579	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1324
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03934	1.7
55.05513	5.1
56.27713	0.7
57.07071	10.7
65.03918	2.0
66.04735	1.1
67.05497	32.9
69.03406	1.3
69.07060	7.2
71.62409	1.5
79.05486	8.6
81.07047	69.1
82.07386	2.9
91.05466	10.7
93.07032	9.1
94.04181	5.2
95.04971	3.7
95.08597	100.0
96.08932	4.0
102.87051	0.7
103.05453	0.8
104.79257	0.7
105.03065	0.7
107.04952	2.2
107.08588	2.8
108.05759	0.7
109.06505	9.6
109.10145	22.7
110.10528	0.6
119.04919	2.6
119.08553	2.7
120.04485	0.9
121.06476	4.6
122.03646	6.8
122.07276	9.2
137.02400	2.9
137.05960	23.5
137.09605	30.3
137.13234	23.3
138.05487	3.0
138.06419	0.8
138.09967	1.9
138.13638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
53.14008	1.5
55.01857	1.5
55.05492	4.2
57.07050	2.7
62.58662	1.5
65.03925	2.8
66.04700	1.8
67.05169	2.7
67.05495	41.4
69.03409	2.1
69.07052	2.2
69.91595	9.3
75.04034	1.3
75.92069	1.3
79.05477	5.2
81.03401	2.8
81.07043	26.8
83.04947	2.0
91.05465	22.8
93.07018	7.5
94.04169	6.0
95.04952	12.6
95.08598	23.3
96.35081	1.6
103.03858	1.4
107.04943	8.4
107.08582	4.4
109.05778	2.4
109.06507	39.1
109.10144	36.5
110.06773	1.3
110.10456	1.8
112.40752	1.3
113.46446	1.3
117.06991	2.1
119.04933	1.7
119.06075	1.9
119.08565	13.5
121.06516	3.8
122.03655	10.5
122.07271	37.0
135.08043	2.7
137.02402	2.7
137.05974	30.2
137.09596	100.0
137.13235	2.3
138.05411	2.5
138.09958	1.5
149.87039	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01862	0.6
55.05506	1.2
57.07047	0.7
64.49170	0.7
67.05494	16.0
69.03413	0.6
69.07055	0.9
70.50948	2.1
74.19671	0.5
77.58794	0.5
79.05463	1.5
81.07047	7.4
91.05473	8.2
93.07059	2.9
94.04154	1.7
95.04968	1.6
95.08599	8.0
95.14006	0.5
104.06299	0.6
107.04929	7.7
107.08600	0.7
109.06435	0.7
109.10138	25.3
110.10477	0.9
117.06983	0.8
119.04924	0.8
119.08568	11.2
121.06489	5.5
122.03642	2.2
122.07269	59.9
123.07598	1.7
135.08051	2.7
137.02328	1.2
137.05968	6.8
137.09596	100.0
138.05440	0.6
138.09935	4.9
139.94420	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0958
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.79919	0.6
53.03930	1.3
55.05492	1.0
58.33859	0.7
67.05487	14.2
68.05827	0.7
69.03442	0.8
70.06225	3.9
79.05483	0.9
81.07043	4.1
85.00718	0.7
91.05457	4.7
93.07020	2.4
95.04927	1.2
95.08582	3.7
98.21436	0.8
103.05412	0.8
107.04930	8.2
107.08600	0.7
109.10131	26.2
116.88041	0.8
117.06992	1.6
119.08540	10.7
121.06486	5.3
122.07259	59.2
123.07600	1.8
135.08034	2.2
137.09586	100.0
138.09898	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	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03933	0.7
53.87558	0.3
55.01869	0.6
55.80450	0.4
57.07054	1.0
59.80493	0.3
65.03930	1.0
66.04706	2.1
67.05495	3.0
69.03392	0.3
69.07054	0.6
71.62576	0.5
71.62973	0.4
77.03898	0.4
79.05487	2.9
81.07048	7.1
86.02058	0.4
91.05475	4.7
93.07029	2.0
94.04173	21.9
95.04437	0.5
95.04995	2.1
95.08591	4.8
105.03384	0.4
107.04922	1.5
109.02869	0.5
109.06487	2.8
109.10141	1.5
110.06002	1.0
119.04938	0.7
121.06500	2.5
122.03632	37.3
122.07256	0.8
123.03964	1.3
137.02509	5.6
137.05956	100.0
137.09583	3.1
137.10687	1.0
137.13239	0.9
138.01770	1.9
138.02657	0.4
138.05347	1.8
138.06361	3.2
138.09131	1.4
140.95085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94824	0.6
53.03932	3.2
55.01853	2.3
55.05504	5.2
63.62332	0.6
65.03930	1.7
67.05494	43.5
68.50128	0.7
69.03425	2.6
69.07075	1.6
69.68774	4.7
69.69180	1.3
79.05476	5.0
81.03407	5.3
81.07043	16.8
83.04974	2.5
91.05466	22.5
92.05825	1.3
93.07033	7.0
94.04157	3.4
95.04961	12.2
95.08593	10.3
98.21487	0.9
103.05447	1.0
107.01273	1.3
107.04945	10.7
107.08593	4.5
108.05785	0.7
109.02879	1.5
109.06502	38.7
109.10141	46.2
110.06821	1.5
110.10485	1.5
117.07008	2.1
119.04918	2.4
119.06043	2.4
119.08558	12.9
120.45833	0.7
121.06473	5.6
122.03669	5.1
122.07267	46.7
123.07603	1.6
135.08026	1.6
137.02367	8.9
137.05960	16.3
137.09598	100.0
138.05470	0.9
138.09949	5.2
142.07692	0.7
148.14917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0959
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03932	2.0
55.01850	2.2
55.05501	5.2
57.03407	0.6
61.34848	0.5
65.03931	3.9
67.05492	39.2
68.05808	1.0
69.03410	3.1
69.07042	2.0
70.78162	1.1
70.78506	1.0
74.95958	0.6
79.05470	4.3
81.03396	3.1
81.07047	16.9
83.04965	2.0
89.44341	0.7
91.05464	46.3
92.05812	1.0
93.07027	6.1
94.04171	2.0
94.07825	0.9
95.04942	11.2
95.08592	7.9
103.05441	0.9
104.06204	0.6
107.04930	7.9
107.08575	4.0
108.05729	1.0
109.06498	40.0
109.10136	40.8
110.06837	1.5
110.10442	1.1
117.07001	2.5
117.87060	0.5
119.04929	12.8
119.05984	1.7
119.08559	12.6
120.05247	0.8
121.06486	4.9
122.03632	2.0
122.07265	45.1
123.07612	1.2
135.08052	1.9
137.04858	1.0
137.05960	22.3
137.09592	100.0
138.05447	1.3
138.09955	3.1
154.18008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.35445	0.4
53.03934	0.6
65.03931	0.5
66.04690	1.8
67.05482	1.2
69.03418	0.5
70.77518	1.4
79.05482	2.9
81.07037	2.6
91.05460	4.0
93.07027	1.5
94.04168	20.2
95.04955	1.1
95.08587	1.8
107.04934	1.8
109.06542	0.8
119.04912	0.9
121.06468	1.4
122.03624	38.5
123.03965	1.1
135.04413	0.5
137.05949	100.0
138.05409	0.9
138.06323	4.4
141.46684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0594
Annotation	Toluate
Peak:m/z	Relative Intensity
51.02363	0.4
53.03930	0.7
55.01856	0.8
55.05495	1.1
57.07065	0.6
65.03926	5.3
67.05491	9.6
69.03407	0.6
69.07043	1.1
70.68272	1.1
79.05484	2.7
81.03394	0.7
81.07040	9.3
81.63950	0.4
83.04942	0.4
91.05461	100.0
92.05795	4.4
93.07027	2.4
93.23042	0.4
94.04169	3.4
95.04423	0.5
95.04960	3.4
95.08588	6.4
107.04950	2.6
107.08572	0.9
109.06493	10.8
109.10130	9.3
109.10822	0.7
110.06829	0.5
110.10445	0.5
119.04916	37.7
119.08543	2.2
120.05247	2.0
121.06460	2.0
122.03620	5.3
122.07260	8.1
137.02457	1.8
137.05948	63.2
137.09578	23.0
137.13225	1.2
138.05421	1.2
138.06302	2.9
138.09943	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
66.04696	1.5
67.05476	3.7
69.08736	1.0
69.63844	7.1
69.64262	1.7
75.66064	1.0
79.05482	2.1
81.07052	6.5
91.05472	6.6
93.07022	4.1
94.04163	8.9
95.04946	3.4
95.08601	5.2
105.26601	1.0
109.06493	2.8
109.10118	1.3
119.04945	1.4
119.66065	1.3
121.06500	5.9
122.03639	12.6
137.02420	3.4
137.05952	100.0
137.09598	4.6
138.05444	3.6
138.06340	4.1
138.09068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0594
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.05120	0.7
66.04691	2.5
67.81994	0.6
69.34310	5.9
69.34725	2.4
79.05463	2.1
81.07056	0.8
87.59841	0.7
91.05458	2.6
94.04173	23.6
95.04959	1.3
107.04951	1.2
120.40967	0.6
122.03626	42.2
123.03956	1.3
137.05956	100.0
138.06221	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.50434	1.3
53.03936	4.8
55.05494	6.5
55.55817	1.4
55.73755	1.4
57.07068	2.3
65.03940	2.6
66.80177	1.3
66.83551	1.5
67.05460	1.7
69.07065	2.7
70.24233	1.3
70.51957	5.4
73.27868	1.1
79.05485	18.1
82.28234	1.6
89.03912	1.4
91.04873	2.6
91.05465	37.8
93.06454	3.1
93.07028	43.4
95.04951	8.1
101.83636	1.3
105.07021	23.6
107.04925	3.2
107.08581	100.0
108.08910	4.1
109.06503	5.9
110.89362	1.3
117.06995	3.3
119.06046	2.7
119.08563	15.8
120.09357	5.0
125.84254	1.5
135.04431	3.2
135.08046	12.5
135.10666	3.0
135.11674	48.0
136.02171	8.3
136.06174	3.2
137.09636	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03934	1.4
55.05507	9.6
65.03909	1.5
67.05482	1.9
69.07043	2.7
70.09132	2.5
70.09547	2.7
79.05050	1.4
79.05477	16.3
81.07024	2.9
91.05469	28.5
93.07027	50.1
95.04955	4.1
105.04475	1.2
105.07011	15.4
107.08574	100.0
108.08919	6.2
109.06509	5.3
117.07044	1.0
119.06022	2.2
119.08551	7.5
120.09304	2.1
135.04362	1.7
135.08037	2.1
135.10672	2.0
135.11670	33.4
136.02167	6.4
136.06140	1.7
136.12041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03922	2.4
55.05497	9.4
57.07069	0.9
57.96001	0.8
65.03922	1.3
66.61063	0.8
67.05479	2.9
69.07042	3.3
70.96003	2.0
79.05476	17.4
81.07043	4.2
91.04886	1.1
91.05463	24.1
93.07024	56.4
94.07327	1.3
95.04952	5.5
105.04528	1.0
105.07009	11.5
107.04890	0.9
107.08571	100.0
108.08900	3.3
109.06493	4.9
115.05394	0.9
119.06041	2.0
119.08556	5.3
120.09329	1.9
133.10144	1.0
135.04381	2.7
135.08034	2.5
135.11665	31.8
136.02118	2.9
136.06129	1.0
136.12030	1.3
137.09486	0.8
139.64673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05499	4.8
57.14581	0.6
65.03931	0.8
67.05482	2.1
69.07066	2.8
70.96010	1.9
79.05476	13.7
80.05775	0.7
81.07034	2.0
91.05462	25.5
93.07027	53.9
94.07352	1.3
95.04965	3.2
105.07014	11.5
107.04973	0.9
107.08574	100.0
108.08907	5.4
109.06487	4.6
115.05428	1.1
117.06995	1.1
119.06046	2.8
119.08539	6.5
120.09356	1.9
133.33548	0.8
135.04410	3.4
135.08055	4.3
135.11668	26.1
136.02173	4.1
136.06122	1.4
136.12016	1.3
137.09554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1167
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02367	0.4
53.03942	3.9
55.01854	1.0
55.05503	6.0
57.07066	1.0
60.45512	0.6
65.03919	1.1
67.05486	3.0
69.07053	2.5
71.32597	0.6
76.66867	0.6
77.03880	0.7
79.05482	16.1
80.51852	0.4
81.03387	0.6
81.07056	3.3
87.13771	0.6
89.03907	1.1
91.05465	32.8
92.02642	0.6
92.05788	0.8
93.07030	42.8
94.07328	0.7
94.07834	1.3
95.04955	6.4
95.08569	0.7
103.05439	0.8
105.04504	1.5
105.07016	16.2
107.04935	3.2
107.08578	100.0
108.08206	0.7
108.08900	4.0
109.01099	1.5
109.06503	6.6
115.05453	1.5
117.06985	2.7
119.06066	2.4
119.08560	9.5
120.09334	1.7
124.05182	0.7
131.81726	0.5
133.10103	0.9
135.04416	9.4
135.05435	1.0
135.06467	0.6
135.08043	8.2
135.09009	0.5
135.11670	31.1
136.02144	35.1
136.03816	0.9
136.06151	9.4
136.07533	2.2
136.08415	0.6
136.11105	1.2
136.12010	1.7
137.09587	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1166
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03929	4.7
55.05503	9.8
59.02804	1.2
65.03949	1.5
67.05496	20.0
69.03413	1.3
69.07070	6.8
71.62843	2.1
77.03893	1.4
79.05484	52.5
81.03391	1.4
81.07051	20.2
82.47066	1.0
84.21304	1.0
91.05470	18.2
93.07030	76.9
94.06544	1.5
94.07342	2.4
94.07881	1.5
95.04945	9.5
105.04531	2.1
105.07011	6.6
107.04922	3.2
107.08580	62.6
108.08183	1.3
108.08949	2.3
109.01070	4.7
109.06475	1.8
115.05415	1.2
117.06993	2.5
119.08571	3.0
119.25550	1.3
133.10130	1.5
135.04417	15.2
135.05444	2.0
135.08040	26.4
135.08978	2.3
135.11673	97.4
136.02145	100.0
136.06157	25.3
136.07510	2.8
136.08420	1.2
136.11130	2.4
136.12015	4.0
137.04541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	Tetralin
Peak:m/z	Relative Intensity
50.35135	0.7
53.03936	1.1
55.05515	3.8
64.63495	0.7
67.05507	1.1
69.34315	7.2
73.38409	0.7
79.05486	5.4
81.60445	0.8
89.02898	0.7
91.05473	29.0
92.05778	1.1
93.06453	1.0
93.07031	7.9
103.05469	2.8
105.07020	97.4
106.07346	6.0
106.65711	0.9
115.05445	5.2
116.06229	1.3
117.07005	4.2
118.07788	7.5
131.08553	14.3
133.06482	3.3
133.10118	100.0
134.10471	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	134.0599
Annotation	o-Tolyl isocyanate
Peak:m/z	Relative Intensity
53.03955	0.3
55.01845	0.3
57.03437	0.5
62.49101	0.2
69.21566	0.2
70.74752	0.9
74.02439	0.3
79.05482	27.6
80.05814	0.8
88.03986	0.2
89.03889	0.3
91.05470	1.7
93.07023	0.8
95.04958	1.0
105.07031	0.5
106.06541	100.0
107.04942	5.2
107.06156	0.6
107.06870	4.2
107.08588	1.5
133.02937	0.3
134.06000	21.6
134.09619	0.6
134.10454	0.9
135.04410	5.7
135.06361	1.1
135.08037	1.2
135.09157	0.9
135.11723	0.4
153.05341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0438
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
51.01953	0.5
53.03938	3.3
55.01866	1.6
55.05529	0.6
57.03416	1.9
59.04990	3.0
59.07372	0.5
65.03948	0.6
67.05499	1.3
67.35271	0.5
69.03407	2.9
70.25882	0.5
73.02911	0.6
77.00620	0.6
77.03925	0.8
79.05477	100.0
80.05006	1.6
80.05799	2.9
81.03382	0.9
81.07039	1.1
89.03900	2.2
91.05460	10.3
93.07013	5.6
94.04053	0.8
95.04949	8.4
99.04444	0.7
105.04511	1.3
105.06998	3.1
107.04934	64.1
107.08564	13.9
108.05273	2.4
108.08130	1.3
109.01102	2.3
109.06482	1.1
112.01040	0.6
115.05431	1.7
117.03366	1.4
117.06987	1.8
118.06524	1.2
119.03534	1.1
119.04934	0.6
119.08569	1.5
121.01538	0.7
135.04395	50.9
135.05359	2.0
135.06531	1.5
135.08043	8.9
135.09157	4.5
135.11658	5.9
136.02138	47.3
136.03882	1.6
136.04893	2.0
136.06172	35.0
136.07549	6.5
136.11194	1.5
137.04564	1.5
153.05475	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03922	0.7
55.05494	1.0
55.72878	0.4
62.53899	0.4
65.03944	0.7
69.69153	3.2
71.52921	0.4
77.03863	0.5
79.05479	3.5
89.07351	0.5
91.05467	11.1
92.05769	0.5
93.07034	2.9
95.04930	0.9
103.05460	1.9
105.07014	36.5
106.07368	1.5
107.08592	0.6
109.49837	0.4
115.05470	3.3
116.06267	0.8
117.06976	4.1
118.07796	4.6
124.74261	0.4
131.08568	4.2
133.06538	2.4
133.10109	100.0
134.10458	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.55633	0.3
53.03925	0.4
53.59882	0.3
55.05495	1.1
58.94329	0.3
67.05494	0.4
71.05795	0.6
71.06177	0.7
74.00927	0.3
79.05482	3.0
85.88451	0.3
91.05467	10.7
92.05782	0.4
93.07027	3.6
95.04934	0.7
103.05449	1.4
105.07017	35.6
105.97979	0.4
106.07343	1.1
107.08569	0.8
107.18526	0.3
115.05437	4.1
117.06995	4.5
118.07787	5.3
126.79725	0.3
131.08553	5.1
133.10112	100.0
134.10435	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	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03918	0.7
55.05486	1.8
61.63551	0.7
63.70254	0.6
67.28899	0.6
79.05466	3.8
87.98976	0.6
91.05467	11.0
93.07040	3.8
95.04932	1.1
103.05450	2.0
105.07014	35.3
106.07351	1.2
112.48970	0.7
115.05429	2.8
116.06192	0.8
117.07003	3.5
118.00309	0.6
118.07784	4.2
131.08540	5.7
133.10109	100.0
134.10443	5.1
147.18417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.05303	0.4
55.05507	4.4
56.92289	0.5
59.98778	0.5
65.03941	1.0
75.61326	0.5
79.05478	6.1
81.31609	0.5
89.01643	0.6
91.05466	28.0
92.05784	0.5
92.58555	0.6
93.07027	6.1
93.32300	0.5
95.04937	1.2
103.05451	3.8
105.07011	95.8
106.07334	3.8
107.08573	1.7
115.05435	5.1
117.07009	5.7
118.07793	6.6
122.28571	0.5
131.08540	13.7
132.08932	0.8
133.06508	3.7
133.10107	100.0
134.06078	0.7
134.10439	4.3
148.70389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.101
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.71782	0.3
53.03931	0.7
55.05497	1.7
65.03917	0.4
67.05466	0.5
69.60957	2.6
71.40530	0.3
73.96908	0.3
79.05474	3.8
91.05464	13.3
92.05798	0.4
93.07037	3.8
95.04958	0.8
100.85337	0.3
103.05451	2.2
105.07013	45.5
106.07335	2.0
107.08571	1.0
110.58408	0.3
115.05431	3.2
116.06204	0.6
117.06990	4.0
118.07008	0.6
118.07790	6.2
129.06955	0.3
131.08545	6.1
133.02827	0.4
133.06493	5.8
133.10106	100.0
134.06842	0.4
134.09537	0.3
134.10426	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	133.101
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03932	0.9
55.05501	7.6
64.19556	0.4
65.03946	0.6
65.88248	0.4
66.62807	0.5
67.05494	1.7
70.06581	1.3
70.58176	1.1
70.58539	1.0
79.05482	4.2
91.05466	50.5
92.05779	1.2
93.07027	2.7
103.05463	1.1
105.07014	100.0
106.07345	4.3
115.05426	1.2
117.07013	1.3
118.07784	2.0
131.08554	6.7
133.06577	2.4
133.10109	88.8
134.05942	0.9
134.09523	0.7
134.10439	4.9
138.61377	0.5
141.71439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.4
52.84705	0.3
53.03931	1.9
55.01856	0.4
57.03420	0.5
68.05029	0.2
69.03415	0.6
69.07053	0.4
69.98099	0.3
71.61610	0.3
71.62035	0.3
73.06548	0.5
77.03918	0.6
79.05476	1.1
86.06064	0.3
86.09695	2.6
91.05471	1.0
95.04945	4.5
96.04480	1.0
97.02889	0.3
98.01323	0.3
101.59290	0.3
103.05439	0.9
104.04971	45.1
104.05748	2.7
105.03371	1.2
105.04529	1.1
105.05322	1.4
105.07008	8.9
115.05407	0.5
115.96653	0.3
118.07835	0.3
131.08597	0.4
132.04424	100.0
133.04814	4.1
133.06454	9.2
133.07356	0.2
133.10097	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	133.0646
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02361	0.3
53.03934	1.0
55.01862	3.2
55.05491	0.4
55.44661	0.2
61.04535	0.2
65.03922	0.2
69.03412	0.5
70.94701	0.9
71.01341	0.2
77.03899	0.5
79.05475	10.0
79.93760	0.3
88.02213	0.4
91.05460	5.0
91.06003	0.4
93.07020	0.5
95.04922	1.4
97.02845	0.4
103.05444	6.8
105.07006	78.8
106.06543	1.0
106.07342	2.8
106.22641	0.3
106.69765	0.3
107.04932	0.7
109.06493	0.4
115.05437	3.4
115.54778	0.3
117.06993	0.6
118.04128	0.3
118.07757	0.5
131.04941	1.2
131.05710	0.2
131.08543	0.8
132.05594	0.3
133.06462	100.0
133.10086	9.3
134.05951	1.7
134.06816	4.1
134.10492	0.5
143.05978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
53.03930	1.8
55.05508	0.4
57.03424	0.4
57.07066	0.2
57.34836	0.2
67.05479	1.0
67.58737	0.2
69.03412	0.8
69.07052	0.4
70.03741	0.6
71.04985	0.4
71.07259	0.5
77.03931	0.5
83.08639	0.2
84.08127	0.3
85.08469	0.7
86.09686	0.8
91.05454	1.2
93.07075	0.2
94.13345	0.2
95.04945	3.5
95.08589	2.6
102.04679	0.6
103.05445	100.0
104.05774	4.2
105.04487	0.8
105.17419	0.2
105.18214	0.2
113.02345	0.3
113.07175	0.4
113.07912	4.0
113.09612	0.3
116.06181	0.2
123.01175	0.2
129.06992	0.2
131.03323	0.7
131.04903	17.3
131.08591	1.6
131.16260	0.3
132.05264	0.6
132.08049	0.4
142.03604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.2
51.02363	0.3
53.03939	1.7
57.03433	0.3
67.05505	0.2
69.03415	0.4
70.03764	0.4
71.04986	0.4
71.22380	0.1
71.61984	0.2
77.03913	0.5
77.15695	0.1
80.81207	0.1
81.03422	0.2
85.08009	0.2
85.08479	0.3
86.09702	0.4
86.51311	0.1
91.05471	4.6
95.04959	3.8
102.04681	0.7
103.05458	100.0
104.05791	4.0
105.04493	0.8
113.07919	2.3
115.05457	0.4
116.06235	1.2
129.07005	0.9
131.04918	17.4
131.08537	6.1
131.16199	0.2
132.04436	0.2
132.05289	1.0
132.06619	0.1
132.08055	0.2
132.08931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14837	0.9
53.03931	3.7
55.01863	18.6
55.05500	33.4
56.05032	1.2
56.05840	1.4
57.03427	12.2
57.07070	6.0
59.04994	2.4
61.02906	3.6
65.03911	1.2
67.05478	3.6
69.03419	48.5
69.07056	89.4
69.61936	7.4
70.07381	3.1
71.01339	2.0
71.04976	5.7
73.02898	1.9
73.06533	1.2
74.09680	1.2
77.96056	1.0
79.90247	0.9
81.03382	1.3
82.06539	1.1
83.01302	1.7
83.04970	26.3
83.08604	11.9
84.04487	13.4
84.05283	1.2
84.08130	20.9
85.02888	18.5
86.09696	1.6
99.04446	4.6
110.58126	1.0
111.04421	10.5
111.11715	2.7
112.07587	100.0
116.46163	0.9
128.06192	3.5
129.01823	17.7
129.04584	1.1
129.05493	6.5
129.06964	8.6
129.10225	1.7
130.04976	2.3
130.06575	6.9
130.07776	1.4
130.08612	34.9
130.09599	2.0
130.15903	8.0
145.98004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30840	0.3
51.02367	0.3
53.03942	2.1
57.03412	0.4
67.05482	0.3
69.03432	0.6
69.96228	0.5
69.96631	1.1
70.03753	0.7
71.04979	0.5
77.03919	0.7
78.60630	0.3
85.08482	0.5
86.09700	0.5
91.05470	1.3
93.39833	0.2
95.04948	3.3
95.08618	0.6
102.04674	0.6
103.05457	100.0
104.05800	4.0
105.04504	1.1
106.85836	0.3
113.02338	0.2
113.07919	2.9
116.06239	0.4
131.04912	17.7
131.08658	1.1
131.16252	0.3
132.05249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0442
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
50.56407	0.2
51.02365	0.4
51.22134	0.2
53.03933	2.4
54.18283	0.2
57.03410	0.3
61.06417	0.2
66.24302	0.2
67.05930	0.2
69.03450	0.3
69.07057	0.7
69.94278	0.4
69.94685	0.9
70.54189	0.2
70.63242	0.2
72.04493	0.2
77.03912	0.6
79.05484	1.1
82.39050	0.2
86.09704	1.7
91.05455	1.3
93.06985	0.3
93.08926	0.2
95.04948	3.9
96.04484	0.7
97.02872	0.3
99.73988	0.2
103.05448	0.6
104.04971	41.9
105.03363	0.9
105.04514	1.2
105.05319	1.1
105.07006	11.1
114.08141	0.2
114.55661	0.2
115.05452	0.3
118.07780	0.3
131.08569	0.6
132.04424	100.0
133.02875	0.3
133.04846	4.1
133.06462	9.6
133.10098	6.4
141.69539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.2
53.03939	2.1
57.03423	0.2
69.03422	0.4
69.07076	0.2
70.03740	0.3
71.04961	0.3
71.12775	0.2
71.13107	0.4
77.03915	0.8
79.80899	0.2
85.08468	0.3
86.09704	0.6
91.05466	3.7
95.04958	3.8
102.04656	0.9
103.05451	100.0
104.05789	4.0
105.04495	0.7
113.07941	1.4
115.05511	0.3
116.06251	1.0
120.68271	0.2
128.17867	0.2
129.06979	0.6
131.04910	18.0
131.08516	5.1
131.16324	0.2
132.05254	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15460	0.8
52.29852	0.9
53.03925	2.8
55.01863	10.4
55.05503	24.6
56.05018	0.9
57.03429	7.2
57.07057	6.4
59.04985	1.4
61.02911	3.1
67.05476	2.0
69.03418	31.6
69.07057	100.0
69.25089	0.8
70.07381	3.1
71.01337	1.0
71.04979	3.3
71.61310	1.0
73.02909	0.9
73.06545	0.8
74.09696	1.7
81.03399	1.9
81.80276	0.7
82.06516	1.2
83.04971	14.2
83.08613	10.3
84.04478	9.0
84.07684	1.0
84.08134	13.6
85.02887	10.9
85.10178	1.1
86.09693	1.3
91.04438	0.7
99.04428	1.6
111.04444	5.3
111.11694	3.5
112.07587	69.9
128.06197	1.9
129.01814	11.3
129.05450	3.4
129.06961	3.2
130.04942	1.3
130.06529	6.4
130.07661	1.8
130.08612	24.7
130.15894	6.4
137.55956	0.9
146.64333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0961
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
55.01854	7.5
55.05508	28.7
55.74766	1.9
69.03424	15.4
69.07056	4.4
69.59323	16.8
79.05483	23.5
81.07063	20.2
83.04974	61.1
83.08601	5.7
84.05325	2.2
91.05470	13.5
95.08554	2.0
97.02890	3.3
97.06523	6.3
98.21459	4.7
105.07030	7.6
107.08586	69.8
108.04503	4.8
108.08913	3.8
109.06517	3.9
125.02324	3.5
125.04342	2.5
125.09619	100.0
126.05533	4.1
126.10016	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0961
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
52.69425	0.9
53.03921	1.2
54.23281	1.0
55.01860	1.3
55.05506	11.8
67.05461	1.5
68.15414	0.9
69.03417	15.4
69.07049	4.2
69.34119	1.7
69.34515	9.7
75.32576	1.0
79.05056	1.3
79.05480	12.4
79.63680	0.9
80.04980	2.4
81.07051	8.7
83.04964	11.2
83.08607	1.7
89.37199	1.0
91.05466	7.7
97.02880	4.0
97.06522	7.4
97.10133	2.6
102.02164	1.1
105.07023	2.2
107.08578	30.2
108.04471	7.8
109.06495	2.2
110.07280	1.2
125.02337	3.1
125.04269	4.5
125.05953	4.1
125.07106	2.9
125.09610	100.0
126.05531	5.0
126.09133	1.7
126.09974	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	125.0596
Annotation	4-Methylcatechol
Peak:m/z	Relative Intensity
52.82465	0.7
53.03931	0.8
55.01837	2.6
55.05499	9.2
57.03403	2.2
65.03928	91.9
66.04250	2.9
66.43056	0.6
67.05482	1.4
69.03413	11.6
69.07044	2.4
69.24686	0.7
71.61993	0.7
71.62463	1.3
72.59199	0.7
76.72547	0.6
77.34501	0.7
79.01851	0.8
79.05476	10.5
80.05003	3.3
81.07031	8.1
83.04957	11.6
83.08611	1.1
85.92684	0.7
86.71410	0.6
91.05473	4.8
91.31617	0.6
92.05791	0.7
93.03387	21.5
95.04953	0.7
95.08578	0.8
97.02882	7.0
97.03996	0.8
97.04768	0.8
97.06506	6.3
97.10136	1.7
98.06027	0.8
105.07018	2.4
107.04914	0.9
107.08581	16.7
108.04472	8.5
109.06503	1.5
110.03629	5.5
111.04421	100.0
112.04750	4.1
120.03279	1.1
120.67469	0.8
125.02346	5.0
125.03479	0.8
125.04317	4.9
125.05975	25.3
125.07036	2.9
125.09607	45.7
126.05488	5.1
126.06290	1.3
126.09106	1.7
126.09952	1.3
134.06006	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	18.1
56.05016	3.1
57.07060	7.5
58.06585	2.8
59.06116	7.1
67.02980	1.1
67.05492	2.2
68.05014	11.7
69.04520	1.5
69.07059	100.0
70.06582	3.0
70.07375	3.2
80.05009	1.8
81.04537	3.2
82.06570	4.9
83.06107	8.7
83.08606	19.6
84.04495	2.0
84.05653	1.7
84.06425	1.9
84.08136	7.6
85.04037	1.3
85.07686	5.4
86.08441	1.5
97.07627	3.8
98.07165	1.7
107.06048	1.5
108.04449	5.7
108.05593	1.2
109.07628	4.5
122.11893	1.0
125.04260	2.1
125.06239	1.1
125.07101	5.1
125.08252	13.4
125.09052	34.5
125.10697	8.4
126.05499	11.9
126.06615	5.9
126.09353	2.2
126.10258	42.5
126.11192	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	124.0393
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.03939	0.4
57.03402	0.3
58.02416	0.2
68.05015	0.4
69.86150	0.9
70.68930	0.2
71.69621	0.2
72.47402	0.2
78.03432	0.8
78.06318	0.4
78.56488	0.2
79.05487	0.3
80.05003	11.2
81.05750	0.3
81.07030	0.3
93.62523	0.2
94.02628	0.2
96.04479	7.8
96.08097	0.6
97.02843	0.3
100.02471	0.3
101.00855	0.8
101.02534	0.6
102.02212	0.5
103.03234	0.2
112.03934	1.4
116.85309	0.2
118.03519	0.3
119.01905	6.3
119.03633	0.4
120.03246	0.3
124.03934	100.0
124.07494	1.2
125.04266	2.9
137.02940	3.0
140.03410	0.9
142.03471	0.7
142.88004	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30416	0.2
55.01859	0.3
57.03426	2.2
58.50458	0.2
58.99838	1.0
60.00676	0.2
60.01369	0.2
60.99599	0.2
61.02913	0.7
62.77032	0.2
67.02158	0.3
69.01904	0.4
69.03414	2.1
69.43645	0.2
69.80965	1.0
70.99856	0.4
71.04949	0.2
71.52174	0.3
72.52950	0.3
75.01897	0.4
75.04449	0.2
76.02689	0.2
77.00891	0.8
78.52953	1.8
79.03056	0.3
80.02921	1.0
80.04995	0.2
80.52680	1.5
81.01892	0.6
81.02800	0.2
81.03408	0.3
81.51956	0.2
81.52578	0.3
82.01426	1.0
82.99818	1.3
83.01488	1.6
83.04964	0.5
84.01182	0.8
84.02406	0.4
85.02132	0.3
85.02888	0.4
85.53715	0.4
86.52673	2.1
87.52566	0.6
87.53463	0.8
88.02653	0.6
89.03449	1.0
90.02419	1.1
91.53732	0.9
92.52680	1.1
93.02903	0.2
93.53485	0.4
94.02657	2.6
94.26092	0.2
94.52725	0.8
94.54258	0.3
95.01921	0.3
95.02522	0.4
95.53205	0.4
96.03251	0.2
96.04475	0.3
96.52978	0.2
99.53452	0.5
100.02461	5.2
100.54230	0.6
101.00862	17.9
101.02531	9.7
101.25019	0.2
101.53205	0.8
102.00911	0.9
102.02217	3.8
102.02837	0.4
103.02483	0.4
103.03162	3.4
103.53255	0.8
104.03036	0.4
105.53419	0.9
106.53255	0.2
109.02870	0.3
110.53703	0.5
111.53598	0.2
112.02964	0.4
112.03686	3.6
112.53804	0.5
113.00843	0.5
113.03577	0.6
114.53938	0.6
115.02377	1.0
118.03501	3.5
119.01897	100.0
119.03588	6.0
120.01976	4.9
120.03230	2.5
121.01627	0.7
121.02384	0.4
121.03458	0.3
121.04230	1.7
121.54276	0.3
124.02448	0.5
124.03930	3.9
124.04759	0.3
124.07569	0.8
124.08668	0.4
125.00352	0.2
130.04723	0.3
131.01892	1.7
133.01620	0.5
133.03444	1.3
137.02927	40.3
138.03011	2.1
139.03416	0.4
142.03467	9.0
143.01845	0.6
143.03568	0.4
144.03178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1167
Annotation	Santene
Peak:m/z	Relative Intensity
52.93156	0.6
53.03931	2.5
53.26535	0.7
55.05502	3.7
57.07069	5.5
67.05491	12.5
69.07053	2.4
69.44550	6.9
79.05481	11.4
80.05007	4.9
81.07040	100.0
82.07382	2.8
93.07026	1.4
94.07825	0.7
95.04952	7.0
95.08586	17.8
96.04469	3.0
96.08131	0.9
98.20791	1.4
100.02484	2.0
104.35361	0.7
105.03368	0.8
108.09390	1.0
111.05565	1.0
112.03952	2.3
112.94336	0.8
121.10152	0.9
123.04417	3.3
123.05537	17.2
123.08060	6.2
123.11684	42.3
124.03930	16.8
124.05885	1.0
124.07576	2.0
124.12031	1.7
140.03401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
53.67729	0.6
55.01857	2.6
55.05495	2.1
56.02644	0.8
57.03428	14.5
58.99857	4.9
59.52166	1.1
60.01378	0.9
60.99613	0.8
61.02906	4.4
61.31204	0.5
65.03905	0.9
65.24908	0.6
65.52177	0.9
67.02163	1.0
69.01903	5.4
69.03419	16.1
69.40659	3.7
69.41076	1.8
69.51946	0.6
70.01791	0.8
70.03748	0.7
70.99846	1.4
71.02978	0.6
71.52165	2.4
72.52960	3.0
73.02901	1.0
75.01900	4.2
75.04459	1.1
75.52034	0.6
76.02673	1.7
77.00898	5.0
77.52161	1.0
78.02428	0.8
78.06309	0.8
78.52528	1.0
78.52953	11.3
79.02227	0.9
79.02991	1.8
79.52812	1.8
80.02939	5.7
80.52688	12.8
81.01888	6.6
81.02744	1.9
81.03394	1.4
81.51907	0.8
81.52557	1.3
82.01409	4.4
82.01847	0.7
82.99854	1.7
83.01496	3.9
83.04976	4.1
84.01166	1.5
84.02412	3.1
84.52444	1.0
85.01386	0.7
85.02151	1.8
85.02879	2.4
85.53710	1.8
86.52689	14.4
87.02758	2.7
87.04478	0.8
87.52554	2.2
87.53467	3.4
88.02678	5.2
88.03539	0.9
88.52716	0.8
89.00873	1.4
89.02539	0.7
89.03484	3.2
89.03915	0.6
89.53198	1.6
90.02413	4.7
90.03310	0.8
91.53722	6.1
92.03813	1.3
92.52682	7.0
93.02768	1.0
93.52518	0.9
93.53453	1.9
93.62108	0.6
94.02660	20.0
94.52774	3.2
94.54218	1.7
95.01949	1.2
95.02538	2.6
95.53216	4.4
96.03313	0.9
96.04482	0.8
97.03207	4.5
98.03472	0.8
98.21514	1.2
99.02905	0.9
99.53444	2.2
100.02467	18.2
100.54208	1.8
101.00870	24.9
101.02543	19.6
101.53202	6.0
101.53810	0.8
101.54024	0.5
102.00937	2.7
102.02225	9.0
103.00616	1.6
103.02509	1.5
103.03177	30.9
103.53257	5.0
104.03016	2.9
105.53445	3.9
106.03526	1.1
106.53336	0.8
108.53954	1.3
109.84129	0.5
110.53732	4.7
111.03735	1.2
111.04449	1.5
112.03696	22.7
112.53749	3.4
113.00828	3.0
113.03535	4.4
114.53984	4.2
115.02406	5.4
115.04055	1.9
116.02546	0.8
117.10200	0.7
118.01144	0.7
118.03506	12.0
119.01903	100.0
119.03584	12.8
120.01981	8.2
120.03236	7.1
121.01653	4.5
121.03429	0.8
121.04209	12.1
121.54273	2.2
122.04121	1.7
123.54470	1.6
124.02447	3.0
124.03913	7.1
124.04691	1.1
124.07603	0.6
127.02346	0.6
130.04718	3.6
131.01889	16.4
132.01987	1.8
132.55049	0.7
133.01668	1.4
133.03444	7.7
134.03517	1.1
135.03171	0.9
136.02351	0.7
137.02936	28.8
138.03072	2.1
139.02521	0.9
142.03485	19.5
142.05138	0.9
143.01875	5.4
143.03656	1.9
144.02132	1.0
144.03238	2.0
144.05011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Santene
Peak:m/z	Relative Intensity
53.03941	4.7
55.01845	0.9
55.05500	8.5
57.07069	6.0
57.86038	0.8
64.70140	0.7
65.03944	1.8
67.05493	41.7
68.05808	1.3
69.07049	2.4
69.90103	2.5
69.90509	1.6
75.58366	0.8
79.05480	26.8
80.05005	6.9
81.03416	1.4
81.07042	100.0
82.07372	2.5
91.05462	1.1
93.07026	7.2
95.04953	21.4
95.08590	54.6
96.04489	3.6
96.08918	2.0
98.20813	1.4
100.02469	3.9
105.03366	3.3
105.04491	1.6
105.07001	4.8
107.04917	1.2
108.05717	10.4
108.09316	0.8
112.03969	5.7
116.59573	0.8
118.03480	3.6
119.01892	1.0
121.06445	1.6
121.10118	1.6
123.04415	13.5
123.05524	23.6
123.08045	53.3
123.11681	41.6
124.03933	27.1
124.04692	0.7
124.07560	1.6
124.08413	2.0
124.12016	2.5
139.05000	1.1
140.03384	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	123.0805
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03947	2.9
55.05508	4.2
56.96540	0.7
57.07063	1.7
65.03911	0.7
65.67613	0.5
67.05499	19.5
69.03419	1.6
69.07053	0.9
71.04172	1.4
78.03463	0.6
79.01845	1.7
79.05482	8.3
80.05009	10.3
80.05764	0.5
80.06270	1.0
80.09312	0.6
81.05779	1.4
81.07049	40.1
82.07382	1.4
85.48164	0.6
88.02347	1.6
91.05461	0.7
93.07026	4.8
95.04350	1.2
95.04961	24.4
95.08597	17.6
96.04482	8.3
96.05289	1.0
96.08099	2.9
96.57005	0.6
99.85752	0.6
100.02476	4.5
105.04469	0.8
105.07034	3.4
108.05732	2.9
111.05522	1.3
112.03939	6.5
118.03504	4.9
120.59980	0.6
123.04440	9.7
123.05543	40.1
123.08054	100.0
123.11691	11.6
124.03940	39.2
124.04649	0.7
124.05862	2.0
124.07557	4.9
124.08406	4.3
134.89520	0.5
139.05061	0.8
140.03391	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.0
52.17189	0.7
53.03939	7.8
55.05505	4.6
57.07067	6.4
65.03919	1.1
65.52941	1.0
67.05494	20.7
69.07056	3.5
69.47461	2.9
69.47889	5.6
77.03927	2.7
79.05479	77.0
80.05026	4.4
80.05801	3.4
81.07043	100.0
82.07388	2.7
93.07034	2.1
95.04951	39.0
95.08594	21.4
96.04479	3.8
100.02462	2.7
105.03378	17.0
105.04522	3.0
105.06992	1.2
108.05727	2.0
108.09357	1.1
112.03940	3.0
113.88795	1.1
118.03553	2.0
121.10131	1.7
123.04412	56.5
123.05524	19.5
123.08046	20.3
123.11687	44.6
123.60545	0.9
124.03943	16.3
124.04763	2.3
124.08392	1.4
124.12007	2.2
140.03409	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
52.55676	0.6
53.03934	2.4
55.05502	9.0
55.62914	0.7
57.36778	0.8
65.03925	1.4
67.05495	45.2
68.05819	1.3
69.07029	0.9
71.06155	1.7
73.20512	0.7
79.05484	5.0
80.04995	2.6
80.06251	1.2
81.03400	5.1
81.07047	17.3
90.38155	0.7
91.05464	2.4
93.07028	9.9
95.04955	27.3
95.08593	37.6
96.04479	2.6
96.08902	0.9
100.02480	1.6
105.07027	2.7
106.46014	0.8
108.05711	2.4
112.03955	1.7
118.03477	0.8
123.04422	2.6
123.05541	10.8
123.08050	100.0
123.11683	5.3
124.03940	8.4
124.07590	1.3
124.08404	3.5
140.03387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
53.03926	1.9
55.05496	2.7
67.05492	16.3
71.10037	0.7
71.23502	1.4
72.07359	0.7
79.05482	8.5
80.04996	1.6
80.06248	1.3
81.07041	19.3
81.29312	0.6
90.59167	0.6
91.05468	0.8
93.07027	2.8
95.04947	6.9
95.08590	35.0
96.04489	1.7
96.08924	1.4
100.02425	1.0
103.05431	1.3
105.07008	9.8
105.83754	0.6
107.04929	5.0
108.05722	36.1
110.44299	0.6
112.03937	1.3
117.96661	0.6
118.03477	0.7
120.30470	0.6
121.06474	6.6
123.04419	1.9
123.05542	8.9
123.08047	100.0
123.11650	6.5
124.03944	7.3
124.08371	3.4
144.62860	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55676	0.6
53.03934	2.4
55.05502	9.0
55.62914	0.7
57.36778	0.8
65.03925	1.4
67.05495	45.2
68.05819	1.3
69.07029	0.9
71.06155	1.7
73.20512	0.7
79.05484	5.0
80.04995	2.6
80.06251	1.2
81.03400	5.1
81.07047	17.3
90.38155	0.7
91.05464	2.4
93.07028	9.9
95.04955	27.3
95.08593	37.6
96.04479	2.6
96.08902	0.9
100.02480	1.6
105.07027	2.7
106.46014	0.8
108.05711	2.4
112.03955	1.7
118.03477	0.8
123.04422	2.6
123.05541	10.8
123.08050	100.0
123.11683	5.3
124.03940	8.4
124.07590	1.3
124.08404	3.5
140.03387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0804
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03934	5.2
55.01854	1.4
55.05257	1.2
55.05502	17.0
57.07067	4.8
62.99165	0.8
65.03912	2.7
67.05493	70.4
68.05827	2.2
69.03407	1.5
69.07055	1.0
69.77381	3.2
69.77785	2.4
76.75157	1.1
79.05480	22.0
80.05003	5.3
80.05803	1.1
81.03373	1.2
81.07040	66.4
82.07375	2.3
91.05453	4.2
93.07032	13.4
93.15405	0.7
95.04957	21.3
95.08589	100.0
96.04489	5.1
96.05048	0.8
96.08109	1.7
96.08928	3.5
98.21376	1.7
100.02463	5.8
103.05446	1.1
105.03362	2.2
105.04496	1.2
105.07030	5.4
106.63942	0.9
107.04940	1.8
108.05728	11.5
109.80564	0.8
112.03936	4.7
118.03482	3.6
121.06467	2.2
121.10165	1.2
123.04418	14.0
123.05529	22.4
123.08044	65.2
123.11681	31.1
124.03933	24.2
124.04816	1.8
124.07552	4.6
124.08418	2.7
124.12032	1.6
130.38469	0.9
140.03386	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43152	0.9
56.88828	0.8
58.99854	2.1
68.48878	0.9
71.53878	2.2
82.01446	17.8
89.72126	0.9
100.02479	100.0
101.00877	6.3
101.02559	4.1
118.03515	62.3
119.01914	36.1
119.03601	3.8
123.04054	2.2
137.02956	16.0
140.50955	0.8
141.05080	2.1
142.03476	2.0
143.74586	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.044
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.02366	2.6
53.03940	6.9
55.01862	2.0
55.05492	3.0
57.07061	3.6
62.25761	0.9
65.03927	1.8
67.05499	19.0
70.67944	3.0
77.03927	5.6
79.05489	17.6
80.05003	6.0
81.07050	48.8
82.07380	1.6
93.07019	2.0
95.04960	28.3
95.08595	17.0
96.04485	2.8
100.02460	2.4
105.03387	10.2
105.04489	1.8
105.07022	3.0
108.05750	7.0
112.03951	2.2
118.03509	2.6
121.06480	1.5
121.10006	1.2
123.04418	100.0
123.05521	18.5
123.08057	33.3
123.11687	25.1
124.03935	12.0
124.04752	3.8
124.07562	1.3
124.08415	1.6
139.17215	0.8
140.03362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.044
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.75489	0.6
51.02361	1.9
51.35189	0.7
53.03936	4.4
53.85420	0.6
55.01874	1.1
55.05489	2.4
55.09786	0.6
57.07049	1.8
65.03922	1.1
66.04691	0.7
67.05492	14.7
68.04999	0.8
69.07054	1.2
70.93159	1.5
77.03920	6.0
79.01846	0.6
79.05473	6.3
80.05013	5.0
81.03397	1.1
81.07040	32.6
81.41683	0.6
81.97775	0.6
93.07043	1.7
95.04952	18.1
95.08587	10.3
96.04485	3.6
100.02465	4.6
103.42839	0.6
105.03369	8.3
105.04497	2.1
105.07021	1.5
108.05711	2.3
111.05544	0.9
112.03910	3.6
118.03488	3.7
123.04408	100.0
123.05509	23.1
123.08032	17.7
123.09030	0.8
123.11677	11.5
124.03939	19.9
124.04749	2.5
124.05890	1.0
124.07550	1.8
124.08421	0.7
140.03413	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	121.1011
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03938	7.2
53.96952	1.4
55.05494	1.5
62.59425	1.2
65.03933	5.7
67.05494	1.6
71.47109	2.5
72.10139	1.2
77.03910	2.8
78.04693	1.6
79.05477	33.9
91.05465	24.3
92.05770	1.2
93.07027	47.9
93.07621	2.3
94.06562	1.4
95.04957	13.6
103.05448	25.7
105.04503	3.9
105.07011	100.0
106.07239	2.7
106.07903	5.7
107.04935	34.2
111.04414	3.7
119.08566	14.6
121.02846	14.4
121.03970	3.5
121.05641	2.5
121.06487	43.9
121.10120	95.1
122.06020	1.4
122.07313	15.5
122.09651	2.1
122.10409	5.7
123.08044	17.0
125.66110	1.1
132.17108	1.1
133.07591	7.5
135.00525	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99856	1.3
71.03533	1.5
82.01430	20.0
100.02465	100.0
101.00850	7.0
101.02557	3.6
102.02879	0.9
103.99057	0.7
118.03503	65.7
119.01897	30.7
119.03602	2.6
120.03925	0.9
123.04025	1.6
137.02936	11.3
141.05054	1.9
142.03496	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0648
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01570	0.5
51.02369	1.2
52.62654	0.4
53.03695	0.7
53.03936	11.3
55.01851	1.5
57.07289	0.4
65.03944	0.5
65.18785	0.4
69.94249	1.2
69.94667	1.1
77.03902	2.0
79.05479	0.6
81.03401	1.6
81.91724	0.4
91.05463	42.8
93.07024	44.5
94.07365	0.9
95.04944	23.8
96.05299	0.5
98.20809	0.6
102.04658	0.7
103.05445	56.1
104.05804	1.1
105.04507	5.0
107.58535	0.4
108.41787	0.4
110.53680	0.4
121.06480	100.0
122.06821	2.8
133.68524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02364	1.2
53.03934	10.5
55.01850	1.2
55.72044	0.4
60.17367	0.4
61.30422	0.4
61.66411	0.4
63.61666	0.4
65.03945	0.8
70.21755	2.0
70.22064	0.7
77.03916	2.4
79.05463	0.5
81.03391	1.4
91.05466	39.1
92.05776	0.6
93.07026	48.6
94.07365	1.0
95.04951	20.9
102.04653	1.1
103.05447	51.9
104.05776	0.8
105.04496	4.2
112.99712	0.4
119.04946	0.5
121.06481	100.0
122.06800	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.04763	1.2
53.03934	5.9
55.05504	6.0
65.03923	3.8
67.05479	1.8
69.28694	1.2
69.65598	3.3
69.66024	5.8
77.03896	1.5
79.05479	42.0
81.07061	3.3
86.48256	1.1
91.05465	31.6
92.05784	1.2
93.07030	81.4
94.07359	3.3
95.04945	11.6
103.05452	15.9
103.82355	1.5
105.04528	3.4
105.07014	78.2
106.07808	5.6
111.04393	2.1
118.76238	1.3
119.08548	14.2
120.08839	1.3
121.02843	11.7
121.03651	1.4
121.04044	1.5
121.06493	14.5
121.10123	100.0
122.10466	5.1
123.08042	11.5
133.07571	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.95234	0.7
51.02366	1.4
53.03937	15.3
55.01855	2.2
55.05510	3.8
65.03938	7.5
66.04248	0.8
66.73764	0.7
67.05500	2.0
68.99751	1.0
71.22766	2.1
77.03924	3.8
79.05482	30.2
80.05798	1.8
81.07059	1.7
91.05470	57.3
92.05790	1.7
93.07031	100.0
94.07379	4.0
95.04958	28.6
103.05456	47.1
104.05775	2.6
105.04508	5.7
105.07018	55.0
106.07871	4.8
111.04434	5.7
119.08572	9.8
121.02853	26.8
121.03957	6.0
121.06493	63.6
121.10127	64.3
122.03160	1.9
122.06001	1.8
122.06879	3.3
122.09658	1.7
122.10471	4.5
123.08064	10.9
129.51962	0.8
133.07578	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	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
63.19007	0.7
65.03933	1.7
68.09230	0.6
69.54566	3.8
69.97333	0.6
79.05483	4.9
79.54942	0.6
91.05470	68.8
92.05806	2.5
93.07034	5.4
95.04960	2.2
96.05284	1.1
98.20835	1.1
102.09422	0.7
103.05451	7.7
104.06241	8.5
109.06519	1.5
115.05443	2.8
117.07005	34.7
118.07380	1.2
119.08568	100.0
120.08897	4.0
121.06483	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03928	1.8
65.03925	3.4
66.79037	0.5
69.76007	3.2
69.76416	1.3
72.61611	0.7
75.08729	0.7
79.05477	4.1
91.05466	88.3
92.05787	3.1
93.07037	4.3
95.04938	2.4
98.20707	0.9
103.05447	9.1
104.06233	8.1
109.06519	1.6
115.05434	5.1
117.06998	41.1
118.07298	1.4
119.04912	3.9
119.06071	1.8
119.08559	100.0
120.05577	1.5
120.08132	0.8
120.08903	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.6
66.74561	0.4
70.27355	0.9
70.27750	0.9
78.34657	0.4
91.05464	7.4
91.80404	0.4
93.07029	14.1
95.04955	2.4
98.21366	0.5
103.05450	45.4
104.05786	1.0
105.04518	0.4
110.28036	0.4
119.07282	0.7
120.08086	100.0
121.02810	0.8
121.06480	7.8
121.08413	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	121.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53925	0.7
53.03936	4.9
55.01852	3.0
55.05487	3.1
65.03930	30.6
66.04269	1.2
67.05483	1.8
68.99746	0.9
71.01356	1.2
71.61709	1.2
72.45663	0.7
77.03918	1.1
79.01849	0.9
79.05482	18.3
91.05463	16.9
93.03389	1.1
93.07025	42.4
94.07323	0.9
94.65880	0.7
95.04955	8.4
103.05453	11.4
105.04534	1.6
105.07013	33.3
106.07795	2.9
111.04423	22.7
111.05190	1.1
117.07005	0.8
119.08560	7.6
121.02844	100.0
121.03943	20.2
121.06481	19.6
121.07358	1.3
121.10118	38.4
122.03159	3.9
122.06007	0.9
122.06860	1.1
122.09634	1.5
122.10448	1.2
123.08037	6.5
133.07578	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	121.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.5
53.03936	2.3
55.01842	1.9
61.14904	0.4
65.03927	30.1
65.32880	0.4
66.04245	0.6
68.99768	1.1
69.84599	1.8
71.01327	1.1
77.03893	0.6
79.01833	1.0
79.05470	2.0
83.01308	0.4
91.04949	0.7
91.05465	7.3
93.03365	1.0
93.07025	9.4
94.06536	0.6
95.04948	4.2
103.05457	9.3
105.04468	0.6
105.07022	4.2
106.78387	0.5
109.02876	0.7
111.04420	22.4
113.30404	0.4
121.02837	100.0
121.03936	20.2
121.06476	17.8
121.10112	3.7
122.03176	4.4
122.04164	0.6
122.05984	0.6
122.06850	0.8
123.08018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.6
53.03925	1.9
54.76770	0.5
55.01846	1.9
59.88538	0.5
64.52028	0.4
65.03929	28.3
68.53497	0.4
68.99767	1.7
69.76187	1.9
69.76614	1.6
71.01328	1.8
71.65362	0.5
76.07558	0.5
79.01856	0.5
79.05484	2.9
90.04630	0.5
91.05464	6.2
91.09164	0.5
93.03395	1.3
93.07028	10.5
95.04954	2.8
95.05471	0.5
103.05459	6.5
105.04447	0.9
105.07014	5.9
111.04424	23.5
119.08552	0.7
121.02842	100.0
121.03941	20.9
121.06467	10.7
121.10124	5.9
122.03155	2.7
123.08015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64255	0.8
52.72300	0.8
53.03941	4.9
55.01872	1.3
55.05488	2.3
65.00655	0.9
65.03934	41.7
66.04252	1.1
66.59174	0.8
67.05486	1.6
69.17281	0.9
69.17700	0.9
69.67598	4.7
69.68008	1.7
79.05480	17.4
81.07061	1.0
91.05470	64.1
92.05804	2.3
93.03405	7.4
93.07032	36.6
93.07623	1.8
95.04956	8.7
98.03670	1.4
103.05462	14.6
105.04499	2.6
105.07017	27.8
106.04162	1.5
106.07807	2.6
107.04996	0.7
107.07302	0.9
109.06503	4.9
111.04437	12.1
119.06041	1.7
119.08590	3.3
121.02856	100.0
121.03951	13.4
121.06481	30.1
121.10131	27.1
121.11024	1.3
122.03191	4.1
122.06037	1.3
122.06812	1.1
122.09579	1.2
122.10438	1.5
123.08028	4.2
133.07590	1.5
135.82765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03934	0.7
54.02798	0.4
54.06721	0.3
56.05016	1.4
57.25570	0.4
58.06614	0.4
61.84957	0.3
63.30381	0.4
65.03934	7.5
70.08139	1.7
74.06070	1.0
79.05487	2.3
91.05469	100.0
92.05000	1.1
92.05799	3.3
93.07035	1.6
95.04961	0.9
96.05299	0.7
96.99500	0.4
102.05568	0.5
103.05460	3.8
104.06228	3.1
109.06524	1.4
115.05418	1.3
117.07001	10.0
119.04932	29.3
119.06120	3.7
119.06818	1.6
119.08562	45.7
120.04452	1.5
120.05519	3.6
120.08087	1.6
120.08917	1.8
125.94182	0.3
126.67609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03936	1.2
59.09961	0.4
65.03928	2.0
69.52509	3.8
73.14551	0.5
74.08791	0.5
78.04732	0.6
79.05481	5.6
88.05486	0.5
91.05466	60.3
92.05809	1.9
93.07018	3.7
95.04963	2.0
102.04697	0.4
103.05450	6.4
104.06236	6.2
105.04501	0.5
106.78201	0.4
109.06465	0.7
115.05441	2.2
117.06997	15.2
117.79623	0.5
119.04918	3.7
119.08559	100.0
120.08877	4.8
121.06520	0.8
122.66456	0.4
123.92802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03930	1.2
56.05006	0.6
57.07074	0.9
65.03931	9.7
65.94751	0.4
68.55502	0.4
71.62523	0.6
74.06068	0.8
76.10420	0.5
77.03890	0.5
78.84158	0.4
79.05483	1.9
79.31997	0.5
91.05468	100.0
92.05001	0.8
92.05798	4.0
93.07035	0.9
95.04951	1.1
96.05277	1.0
103.05456	3.0
104.06251	1.9
109.06493	0.8
115.05447	1.0
117.07009	7.8
119.04931	34.7
119.05972	1.5
119.06809	1.5
119.08562	35.7
120.04432	1.0
120.05530	3.2
120.08083	1.7
120.08926	2.0
121.06551	0.6
125.91105	0.4
127.70123	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0863
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
53.03929	0.6
55.05500	14.0
56.05017	0.4
56.05832	0.4
57.05804	0.8
58.06588	6.3
59.07369	6.6
61.38066	0.2
61.76629	0.2
69.03416	0.5
70.06578	0.7
70.35994	0.8
72.04476	0.2
72.08141	100.0
73.08474	1.8
73.21330	0.2
75.41994	0.2
84.08135	0.3
91.05468	0.7
94.54268	0.3
95.04938	0.3
100.02444	1.4
100.07594	0.3
102.29104	0.2
103.54765	0.4
106.05012	1.1
112.07609	1.1
115.05543	0.4
118.03519	1.1
118.08631	35.0
119.08997	0.5
123.87588	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47652	1.6
63.07893	1.4
67.05490	2.3
69.03410	4.7
71.53555	1.9
73.06540	3.3
80.74251	1.7
82.01432	3.5
82.07507	1.4
83.01498	1.6
85.53687	2.0
88.02585	2.0
91.05457	5.2
92.23992	1.5
93.53491	2.3
95.54116	1.7
97.02850	1.9
98.97520	1.7
100.02457	14.7
101.00865	18.6
101.02523	9.0
102.02212	3.8
103.02451	2.3
107.05305	3.0
112.07604	2.4
116.05786	3.2
117.03997	1.8
118.03493	10.7
119.01902	100.0
119.03596	5.4
120.02030	5.9
120.03252	4.0
121.03425	2.5
135.05032	2.6
137.02934	50.7
138.03029	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	118.0652
Annotation	Indole
Peak:m/z	Relative Intensity
51.02370	3.6
53.03702	2.0
53.03941	35.6
65.03919	1.4
68.79128	1.0
69.66840	4.5
69.67262	3.8
72.08142	2.7
74.02838	1.1
77.03909	4.5
79.05475	1.3
81.03406	2.4
91.04891	1.4
91.05464	34.9
95.04952	60.7
96.05313	1.7
103.05443	3.0
104.06241	2.8
105.04508	13.8
117.06976	8.4
118.06528	100.0
118.34139	1.1
119.04937	4.8
119.06864	3.8
119.08566	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	118.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.4
53.03701	2.2
53.03938	35.2
55.01840	5.3
55.05506	10.8
56.96541	2.2
58.06581	6.6
58.99854	2.0
59.04997	2.1
59.06112	2.8
59.07362	5.5
59.52169	1.9
65.03912	2.2
67.05484	7.7
68.05017	2.9
69.03417	39.7
69.07043	4.8
70.03749	2.3
70.06579	3.3
70.46671	3.4
70.47062	3.7
71.02956	3.9
72.08141	73.2
76.93341	7.0
77.00883	4.0
77.03905	5.8
78.52940	2.8
81.03410	3.7
82.01424	16.2
83.01460	1.9
83.52363	3.8
84.08131	19.5
86.12968	1.7
86.52691	1.9
87.03120	1.7
87.53454	1.9
91.05466	33.1
92.52814	3.1
94.06562	8.2
94.52415	2.5
94.54247	20.5
94.94390	3.5
95.04358	2.7
95.04950	68.4
95.52290	2.6
95.54118	3.3
96.05244	1.9
97.04522	2.5
100.02467	95.1
101.00883	4.6
101.02530	10.5
102.02222	12.3
102.04021	5.1
103.02419	3.3
103.52920	2.2
103.54762	19.5
104.04828	3.3
104.54608	3.7
105.04496	14.5
106.05021	83.6
106.55107	20.3
107.04845	10.1
111.06820	3.8
112.07585	86.7
113.07897	5.4
114.04034	2.2
115.05540	26.0
115.55642	7.4
116.05627	4.2
117.55802	5.9
118.02647	3.5
118.03503	76.8
118.06522	100.0
118.08641	26.7
119.01904	50.5
119.03570	12.0
119.04913	4.7
119.06065	2.4
119.06835	3.3
119.08563	5.4
120.03266	7.0
120.05019	3.3
121.03487	1.9
123.04012	2.5
125.94997	1.8
131.01938	3.4
137.02945	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	118.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72637	1.7
51.72308	1.6
55.01857	2.9
55.05496	2.0
55.50962	1.6
56.51320	1.7
58.95402	7.2
58.99855	5.9
63.42375	1.5
64.49216	1.5
67.05499	10.8
69.03424	13.5
69.07066	3.0
71.02975	4.8
71.61517	3.2
72.04512	3.4
72.08128	2.4
73.06533	2.7
75.27020	1.7
77.00887	4.5
78.52965	3.8
82.01428	17.6
83.01482	2.2
83.52347	2.1
84.08136	4.7
87.53468	2.9
88.51677	2.0
91.05476	6.1
92.52838	2.5
94.54246	4.1
94.54797	3.8
95.04938	3.4
100.02468	100.0
101.00859	6.8
101.01993	1.6
101.02522	10.0
102.02195	6.6
103.02409	3.0
103.54761	5.6
104.04879	1.6
106.05035	18.7
106.55112	3.1
107.05181	5.3
112.07577	19.8
115.05540	8.2
115.55593	2.5
116.05763	3.3
117.99050	3.9
118.03505	86.2
118.08662	2.0
119.01903	53.2
119.03600	10.1
120.03235	3.6
121.03462	1.9
123.04027	3.4
131.01878	2.3
133.03485	2.6
135.04985	2.7
136.00105	9.1
137.02928	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	1176.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
82.39310	0.2
83.01322	0.2
83.04959	1.8
83.08608	1.0
85.02890	1.5
85.06543	0.2
91.03972	0.3
91.04885	0.2
91.05462	4.3
92.05794	0.2
93.03380	1.3
93.07026	5.4
95.04951	2.3
95.08585	6.1
97.02866	1.6
97.06526	0.5
97.10142	0.5
103.05436	0.7
105.04478	0.3
105.07009	3.4
107.04961	1.1
107.08576	2.9
109.02843	0.5
109.06512	0.4
109.10134	2.3
111.00734	0.3
111.03687	0.4
111.04427	6.4
111.08085	0.2
115.05437	1.1
117.06975	1.5
119.08547	1.9
121.02849	1.5
121.06486	0.6
121.10126	2.4
123.04409	4.3
123.08021	0.4
123.11672	0.7
125.09573	0.4
127.03867	1.2
128.06230	0.5
129.06981	0.8
131.04906	1.0
131.08549	1.8
133.02768	0.2
133.06470	0.6
133.10117	1.4
135.04396	2.8
135.11665	1.5
137.02383	0.3
137.05934	0.7
137.09552	0.2
139.03879	100.0
140.04205	1.4
141.05438	0.8
141.06956	0.9
143.04895	0.5
143.08536	0.4
145.06497	0.7
145.10072	1.2
147.04408	1.1
147.07965	0.2
147.11653	0.9
149.05942	2.9
149.13264	0.8
151.03877	9.5
151.07452	0.3
151.11092	0.2
152.06165	0.3
153.01852	0.3
153.05547	1.1
153.06935	1.3
155.08452	0.5
157.06470	0.8
159.04378	0.7
159.08044	0.3
159.11679	0.6
161.05965	5.1
161.13217	0.7
163.03879	35.8
163.07448	1.0
164.04222	0.6
165.05452	1.6
165.06871	0.5
167.03456	0.3
167.08539	0.7
169.05113	0.2
169.06447	0.7
171.08000	0.5
171.11569	0.3
173.05954	9.8
173.13232	0.6
174.06302	0.2
175.03889	1.1
175.07497	1.8
175.14806	0.2
176.04625	0.4
177.05449	6.3
179.03392	1.7
179.07033	0.4
179.08505	0.5
181.04913	6.5
181.06470	1.6
181.10071	0.3
181.12198	0.3
183.08020	0.9
184.07249	0.4
185.05948	1.2
187.03893	2.7
187.07523	6.0
187.14749	0.3
189.05423	2.2
189.09056	0.5
191.03421	0.4
191.06996	0.6
193.04897	0.8
193.06442	0.4
195.06493	0.3
195.08034	1.4
197.05951	1.1
197.09538	0.4
198.06635	0.4
199.07515	4.3
200.04660	0.4
200.08142	0.3
201.05432	3.2
201.09097	1.8
203.03322	0.2
203.06932	0.7
205.04932	15.7
206.05284	0.5
207.08051	0.5
209.05942	0.5
209.09601	0.5
210.06660	0.4
211.07515	3.4
213.05496	1.7
213.09059	2.4
214.06125	0.3
215.07028	1.5
215.10744	0.3
217.04982	1.7
219.06293	0.5
219.08139	0.4
221.05890	0.3
223.07599	1.2
223.11006	0.3
224.08121	0.4
225.05447	0.3
225.09042	1.6
226.06171	0.4
227.06926	1.1
227.10620	0.5
229.04900	3.2
229.08466	0.5
235.05878	2.8
237.09023	0.7
239.07007	0.5
239.10614	0.6
241.04948	0.2
241.19545	0.3
243.06548	0.2
243.21011	0.3
247.05904	3.0
249.08914	0.5
250.09795	0.2
251.06984	0.2
251.10664	0.3
251.14191	0.4
253.05026	0.3
253.08510	0.3
253.12161	0.4
255.13675	0.4
259.05988	0.3
259.20557	1.2
261.08954	0.3
261.22058	1.9
265.06943	2.4
265.12048	0.4
267.06360	0.4
267.13718	0.7
269.07990	0.2
269.15323	0.7
271.05927	0.7
275.06671	0.3
277.11917	0.3
279.06516	0.3
279.13687	0.7
281.15381	0.6
282.04968	0.3
283.08160	10.0
285.07544	0.4
285.14767	0.8
287.16345	0.7
291.13644	0.4
293.08005	0.2
293.15201	0.5
295.05789	2.0
295.13351	0.3
297.07507	0.6
297.14737	1.3
299.16394	0.7
301.09134	22.1
302.09384	0.8
303.06473	0.5
305.08081	0.2
307.08047	0.6
308.06689	0.9
309.07401	0.9
309.14743	0.8
311.16315	0.5
313.06900	1.6
313.14398	0.5
315.15881	4.7
317.07935	0.5
317.24689	0.3
319.05899	0.3
319.09381	0.3
321.07480	1.0
321.14777	0.4
322.08197	0.4
323.08936	0.8
323.16397	0.3
325.09119	0.7
325.14209	0.6
327.15854	3.1
333.07428	0.3
333.24106	0.8
335.09082	0.9
335.25754	20.9
336.26053	1.0
337.17957	0.4
339.15845	2.2
341.17401	0.4
349.09091	0.5
353.17438	0.3
357.16754	0.4
359.18552	1.9
371.18320	0.4
381.16711	0.3
383.17996	0.3
387.18372	0.2
389.19617	2.8
395.18243	0.2
399.18011	0.5
399.24963	0.7
401.19620	1.5
413.19629	1.4
419.20099	0.7
421.16354	2.2
427.12164	0.6
429.16656	0.3
431.19528	0.2
445.12924	0.4
445.16846	0.2
447.18021	5.5
455.27847	0.2
463.14102	1.3
465.19037	3.2
471.17761	0.8
473.28186	0.3
477.19263	0.3
483.19727	0.3
489.18964	0.4
495.19482	0.4
503.20334	0.9
513.19080	0.7
521.21576	1.9
531.20129	0.3
539.16418	0.3
539.22784	3.1
557.23303	0.7
557.35797	0.5
563.22858	0.4
569.36542	0.3
573.20331	0.3
581.35986	0.5
591.21857	0.3
599.37500	0.4
615.38147	0.4
619.39832	1.1
621.41138	0.5
631.39362	0.7
637.39819	0.7
643.39697	0.5
647.38763	0.9
649.40802	6.7
650.40814	0.7
655.39722	0.4
659.38831	0.6
661.40833	3.6
662.40918	0.5
663.41974	0.4
667.41718	1.6
673.41016	3.4
674.40881	0.4
677.40234	2.0
679.41895	3.2
680.41974	0.3
691.42078	3.0
755.40625	0.5
773.42316	2.8
774.41876	0.4
781.42786	1.4
789.45477	0.3
797.41632	0.5
799.44092	9.2
800.44354	1.0
817.45026	8.0
818.44641	0.8
823.43903	1.6
835.44714	0.3
839.43555	0.4
841.44397	0.9
859.44037	0.3
865.44873	1.4
883.44745	0.6
889.44910	0.3
895.45746	0.3
907.45288	0.4
925.46271	0.5
943.46399	0.7
961.48859	0.5
979.48572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.5815
Annotation	Unknow
Peak:m/z	Relative Intensity
88.83804	0.2
97.81810	0.2
109.10054	0.2
121.17532	0.2
123.04342	0.3
132.71252	0.2
177.05359	0.3
184.07240	0.4
227.85461	0.2
240.05948	0.2
301.14282	0.3
302.14655	0.3
313.27188	0.3
314.27570	0.3
322.60162	0.2
396.12256	0.5
397.12863	0.8
398.13544	0.4
399.14151	0.3
409.13049	0.5
410.13675	0.8
411.14343	3.1
412.15106	2.3
413.15851	1.2
423.09778	0.2
423.14810	0.5
424.15958	1.5
425.16116	6.1
426.11322	0.3
426.16852	4.7
427.17270	1.1
428.18207	0.7
437.16040	0.6
438.12823	1.1
438.17050	1.0
439.13254	7.1
440.13651	1.0
440.19186	2.9
441.19189	22.8
442.19696	1.8
451.13641	0.3
451.18317	0.2
452.13785	1.8
453.15128	9.2
454.15881	3.3
455.16595	0.3
456.13797	0.3
457.14978	0.6
458.15512	0.3
459.19888	0.2
463.13477	0.4
465.15573	0.6
466.11896	0.3
466.16644	0.5
467.17120	20.7
468.17719	9.2
469.18738	10.2
470.19299	1.1
471.16443	0.5
472.17212	0.4
477.15604	0.3
478.15997	0.3
479.17261	0.2
480.16486	0.7
481.14673	14.7
482.15259	3.6
483.15778	0.4
485.18430	0.8
486.19199	0.4
487.19739	0.4
494.16321	0.5
495.16266	7.6
496.17017	12.8
497.17923	2.8
498.18512	0.6
499.14838	0.9
507.17136	0.2
508.19193	0.8
509.18271	1.7
510.20316	0.4
512.20300	0.7
513.20239	0.2
514.22388	1.5
522.17719	0.6
523.19617	1.2
524.20062	0.5
525.17267	0.3
527.23303	1.9
528.18890	0.3
536.19080	0.5
537.19690	0.9
538.20081	0.2
539.19543	0.3
540.19666	0.3
542.21246	0.8
545.23694	0.4
551.19330	0.2
555.22308	19.4
556.22510	2.1
568.19171	0.5
573.23828	0.3
582.21198	0.4
583.21753	100.0
584.22028	9.9
585.21814	0.8
586.20508	0.6
587.25195	1.1
600.20959	0.4
610.20587	0.3
611.21069	2.2
614.23743	0.6
615.24365	4.3
616.24506	0.4
628.21027	0.3
642.23065	8.5
643.23773	85.0
644.24036	6.6
645.23590	0.3
660.41406	0.2
776.44244	0.5
930.67639	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0707
Annotation	Proline
Peak:m/z	Relative Intensity
53.03951	0.1
55.01870	0.1
56.05027	0.3
57.03434	0.3
60.05638	0.3
66.65343	0.1
68.05005	0.2
69.03426	0.2
69.28484	0.1
69.64256	1.0
69.64651	0.3
70.06580	100.0
71.06911	1.7
72.05640	0.4
72.08144	0.2
73.02890	0.1
81.03410	0.2
81.26258	0.1
82.99870	0.1
98.06047	0.4
98.07152	1.8
98.07760	0.2
98.09679	0.5
98.21462	0.3
98.59303	0.1
100.02476	0.3
100.07623	0.3
102.02289	0.1
109.02888	0.3
116.07071	19.1
116.08167	1.7
116.10727	0.4
117.07409	0.4
118.03497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.1
55.01870	0.1
56.05027	0.3
57.03434	0.3
60.05638	0.3
66.65343	0.1
68.05005	0.2
69.03426	0.2
69.28484	0.1
69.64256	1.0
69.64651	0.3
70.06580	100.0
71.06911	1.7
72.05640	0.4
72.08144	0.2
73.02890	0.1
81.03410	0.2
81.26258	0.1
82.99870	0.1
98.06047	0.4
98.07152	1.8
98.07760	0.2
98.09679	0.5
98.21462	0.3
98.59303	0.1
100.02476	0.3
100.07623	0.3
102.02289	0.1
109.02888	0.3
116.07071	19.1
116.08167	1.7
116.10727	0.4
117.07409	0.4
118.03497	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03394	0.9
81.07039	8.3
83.04974	2.0
83.08613	0.8
84.43588	0.3
85.02877	2.1
85.06523	0.4
86.09703	0.8
86.67201	0.3
88.95664	0.3
91.03936	0.3
91.05463	6.2
93.03400	1.8
93.07024	7.2
95.04952	3.1
95.08031	0.6
95.08588	7.1
97.02857	2.3
97.06508	0.7
97.10146	0.7
103.03944	0.3
103.05440	1.6
105.07009	3.8
107.04936	2.1
107.08567	3.7
109.02846	1.1
109.06530	0.9
109.10123	3.2
111.04419	6.3
114.04515	0.3
115.05434	1.9
117.07020	1.7
119.04954	0.6
119.08553	3.0
121.02848	1.8
121.06497	1.5
121.10111	2.5
123.04413	6.7
123.08064	0.7
123.11700	0.7
124.99982	0.4
125.09615	0.5
127.03871	1.8
128.06235	0.6
129.06976	1.2
131.04906	1.9
131.08514	1.9
133.06453	0.9
133.10097	1.6
135.04384	6.3
135.11658	1.7
137.05968	1.0
137.13190	0.3
139.03876	100.0
140.04213	1.5
141.05447	1.0
141.06979	1.2
143.04903	0.5
143.08524	0.8
145.06471	2.2
145.10088	1.6
147.04326	1.7
147.11670	1.5
149.02351	0.4
149.05933	5.5
149.13248	0.9
151.03873	16.0
153.01758	0.4
153.05444	2.2
153.06970	1.1
155.08539	1.1
157.06439	1.4
157.10078	0.6
159.04391	1.6
159.08041	0.4
159.11679	1.0
160.05190	0.3
161.05945	8.4
161.13232	1.0
163.03873	50.4
163.07542	1.2
163.14761	0.4
164.04240	0.6
165.05450	2.2
165.06996	1.2
167.03503	0.3
167.08540	0.8
168.05656	0.4
169.05182	0.4
169.06526	1.2
171.08035	0.8
173.05948	18.6
173.13245	0.7
174.06375	0.4
175.03873	2.8
175.07489	2.2
176.04637	1.1
177.05443	12.5
177.16551	0.3
179.03323	1.8
179.06978	0.6
179.08487	0.6
181.04927	11.2
181.06464	2.3
183.08031	1.1
184.07364	0.9
185.05923	1.4
185.13167	0.3
187.03893	5.5
187.07507	8.9
187.14752	0.6
189.05412	4.7
189.09109	0.7
191.03413	0.7
191.06998	1.3
191.08554	0.4
193.04951	1.8
193.06474	0.7
195.08061	1.8
197.05954	2.1
197.09775	0.3
198.06741	0.5
199.07503	7.9
200.04706	0.6
201.05435	5.5
201.09099	2.9
203.03377	0.7
203.07034	0.8
205.04919	28.3
206.05354	0.6
207.08047	1.2
209.05896	0.4
209.09602	0.8
210.06807	0.8
211.07544	3.9
212.08313	0.4
213.05481	2.0
213.09055	4.4
215.06949	1.8
217.04904	3.8
219.06483	1.2
223.07532	2.4
224.08145	0.4
225.05432	0.4
225.09064	1.7
226.06186	0.6
227.07033	2.0
227.10611	0.7
229.04900	7.0
229.08391	0.6
231.06366	0.7
233.04416	0.5
235.05870	5.0
235.11105	0.5
237.09122	1.4
239.06935	0.5
239.10666	0.7
241.04849	0.9
241.08598	0.4
243.06406	0.9
243.21115	0.6
247.05908	7.2
249.09206	0.7
249.12616	0.5
251.07062	0.5
251.10611	0.8
251.14314	0.4
253.04880	1.2
253.12178	0.6
255.06296	0.5
257.07925	0.3
259.05963	1.1
259.20535	1.2
261.22070	3.1
265.07016	3.5
265.12070	0.5
267.06464	0.4
267.13727	1.7
269.15305	1.2
271.05890	1.9
272.70300	0.3
277.06900	0.4
277.11987	0.4
279.06573	0.6
279.13745	0.9
281.15259	0.5
283.08145	12.8
283.13000	0.7
285.14746	1.4
287.16299	1.0
289.07071	1.0
289.14304	0.5
291.13522	0.5
293.07883	0.5
293.15286	0.6
295.05954	2.1
295.13110	0.4
297.07510	0.7
297.14862	1.6
299.16342	1.1
301.09128	24.9
302.09372	0.6
303.06332	0.8
303.10394	0.3
305.08160	0.4
307.08313	1.9
307.13058	0.5
308.06656	0.9
309.07309	0.9
309.14813	0.9
311.08954	0.4
311.16095	0.6
313.07013	0.9
315.15829	6.4
317.07944	0.5
319.05945	0.6
321.07458	1.3
323.08951	0.7
323.16336	1.0
325.09103	2.1
325.14236	1.2
325.17786	0.4
327.15814	3.7
331.08188	0.5
333.07370	0.5
333.24255	1.1
334.08615	0.3
335.08963	1.7
335.25742	21.1
336.26074	1.1
337.27045	0.4
339.15851	3.7
341.17209	0.7
343.10202	0.6
345.07333	0.5
347.08875	0.4
349.09262	1.0
357.17007	0.4
359.18463	4.5
371.18512	0.5
379.10294	0.4
383.18433	0.6
389.19485	4.2
399.17908	0.6
399.25275	0.5
401.19547	1.7
409.11041	0.7
413.19601	1.7
421.16449	3.0
427.12189	1.2
429.16687	0.7
445.12930	0.6
447.17996	5.1
463.14398	1.1
465.19034	5.0
471.17749	0.9
483.19809	0.5
485.19214	0.4
487.17422	0.7
489.18765	0.9
495.19473	0.5
501.19058	0.4
503.27707	0.4
513.18738	1.1
521.21832	1.5
531.19757	1.1
537.19482	0.5
539.22748	2.6
541.37433	0.3
555.19806	0.4
557.23175	0.4
557.36188	0.5
563.22467	0.5
573.20990	0.9
575.36243	0.6
599.37311	0.7
605.23315	0.8
619.39929	2.1
631.39594	0.8
635.38416	0.6
637.40204	1.3
641.38849	0.3
647.38605	0.8
649.40936	5.2
650.40570	0.5
655.39539	0.5
661.40851	2.8
665.39270	0.4
667.41174	0.9
673.40741	2.5
677.40295	1.6
679.42090	1.7
691.41876	2.1
755.40906	0.5
773.42438	2.3
781.42102	1.1
797.41431	0.8
799.29852	0.4
799.43982	6.7
800.44257	0.6
817.45288	4.7
823.42871	1.3
841.44049	1.2
865.44275	1.2
883.44910	0.7
889.43994	0.6
895.45233	0.4
907.45624	0.6
925.46289	0.7
943.48981	0.7
961.48236	0.7
1117.77820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0755
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
51.55154	0.4
53.00303	0.7
53.03934	1.3
55.01861	5.2
55.05503	6.8
56.96550	0.5
57.03431	7.8
57.93566	0.5
59.04999	3.9
65.16169	0.4
66.56164	0.4
67.05492	4.5
69.03423	4.7
69.07057	100.0
70.06583	12.5
70.07388	3.4
70.14344	2.1
71.04984	1.9
72.93784	0.7
73.02898	1.5
73.06545	19.4
73.93790	0.7
74.93812	6.9
74.94211	0.6
78.74076	0.4
79.05480	13.7
80.05804	1.1
85.02875	0.6
87.04453	3.3
88.07619	0.6
88.27883	0.4
92.94865	1.5
95.04962	0.6
97.02885	1.7
97.06513	49.9
98.06086	0.6
98.06868	1.7
113.46072	0.4
115.03912	6.1
115.05490	1.3
115.07549	10.0
115.08845	0.7
115.09482	10.8
115.96448	1.4
116.01689	0.5
116.07084	3.3
127.33400	0.5
133.97527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1159.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03394	0.9
81.07039	8.3
83.04974	2.0
83.08613	0.8
84.43588	0.3
85.02877	2.1
85.06523	0.4
86.09703	0.8
86.67201	0.3
88.95664	0.3
91.03936	0.3
91.05463	6.2
93.03400	1.8
93.07024	7.2
95.04952	3.1
95.08031	0.6
95.08588	7.1
97.02857	2.3
97.06508	0.7
97.10146	0.7
103.03944	0.3
103.05440	1.6
105.07009	3.8
107.04936	2.1
107.08567	3.7
109.02846	1.1
109.06530	0.9
109.10123	3.2
111.04419	6.3
114.04515	0.3
115.05434	1.9
117.07020	1.7
119.04954	0.6
119.08553	3.0
121.02848	1.8
121.06497	1.5
121.10111	2.5
123.04413	6.7
123.08064	0.7
123.11700	0.7
124.99982	0.4
125.09615	0.5
127.03871	1.8
128.06235	0.6
129.06976	1.2
131.04906	1.9
131.08514	1.9
133.06453	0.9
133.10097	1.6
135.04384	6.3
135.11658	1.7
137.05968	1.0
137.13190	0.3
139.03876	100.0
140.04213	1.5
141.05447	1.0
141.06979	1.2
143.04903	0.5
143.08524	0.8
145.06471	2.2
145.10088	1.6
147.04326	1.7
147.11670	1.5
149.02351	0.4
149.05933	5.5
149.13248	0.9
151.03873	16.0
153.01758	0.4
153.05444	2.2
153.06970	1.1
155.08539	1.1
157.06439	1.4
157.10078	0.6
159.04391	1.6
159.08041	0.4
159.11679	1.0
160.05190	0.3
161.05945	8.4
161.13232	1.0
163.03873	50.4
163.07542	1.2
163.14761	0.4
164.04240	0.6
165.05450	2.2
165.06996	1.2
167.03503	0.3
167.08540	0.8
168.05656	0.4
169.05182	0.4
169.06526	1.2
171.08035	0.8
173.05948	18.6
173.13245	0.7
174.06375	0.4
175.03873	2.8
175.07489	2.2
176.04637	1.1
177.05443	12.5
177.16551	0.3
179.03323	1.8
179.06978	0.6
179.08487	0.6
181.04927	11.2
181.06464	2.3
183.08031	1.1
184.07364	0.9
185.05923	1.4
185.13167	0.3
187.03893	5.5
187.07507	8.9
187.14752	0.6
189.05412	4.7
189.09109	0.7
191.03413	0.7
191.06998	1.3
191.08554	0.4
193.04951	1.8
193.06474	0.7
195.08061	1.8
197.05954	2.1
197.09775	0.3
198.06741	0.5
199.07503	7.9
200.04706	0.6
201.05435	5.5
201.09099	2.9
203.03377	0.7
203.07034	0.8
205.04919	28.3
206.05354	0.6
207.08047	1.2
209.05896	0.4
209.09602	0.8
210.06807	0.8
211.07544	3.9
212.08313	0.4
213.05481	2.0
213.09055	4.4
215.06949	1.8
217.04904	3.8
219.06483	1.2
223.07532	2.4
224.08145	0.4
225.05432	0.4
225.09064	1.7
226.06186	0.6
227.07033	2.0
227.10611	0.7
229.04900	7.0
229.08391	0.6
231.06366	0.7
233.04416	0.5
235.05870	5.0
235.11105	0.5
237.09122	1.4
239.06935	0.5
239.10666	0.7
241.04849	0.9
241.08598	0.4
243.06406	0.9
243.21115	0.6
247.05908	7.2
249.09206	0.7
249.12616	0.5
251.07062	0.5
251.10611	0.8
251.14314	0.4
253.04880	1.2
253.12178	0.6
255.06296	0.5
257.07925	0.3
259.05963	1.1
259.20535	1.2
261.22070	3.1
265.07016	3.5
265.12070	0.5
267.06464	0.4
267.13727	1.7
269.15305	1.2
271.05890	1.9
272.70300	0.3
277.06900	0.4
277.11987	0.4
279.06573	0.6
279.13745	0.9
281.15259	0.5
283.08145	12.8
283.13000	0.7
285.14746	1.4
287.16299	1.0
289.07071	1.0
289.14304	0.5
291.13522	0.5
293.07883	0.5
293.15286	0.6
295.05954	2.1
295.13110	0.4
297.07510	0.7
297.14862	1.6
299.16342	1.1
301.09128	24.9
302.09372	0.6
303.06332	0.8
303.10394	0.3
305.08160	0.4
307.08313	1.9
307.13058	0.5
308.06656	0.9
309.07309	0.9
309.14813	0.9
311.08954	0.4
311.16095	0.6
313.07013	0.9
315.15829	6.4
317.07944	0.5
319.05945	0.6
321.07458	1.3
323.08951	0.7
323.16336	1.0
325.09103	2.1
325.14236	1.2
325.17786	0.4
327.15814	3.7
331.08188	0.5
333.07370	0.5
333.24255	1.1
334.08615	0.3
335.08963	1.7
335.25742	21.1
336.26074	1.1
337.27045	0.4
339.15851	3.7
341.17209	0.7
343.10202	0.6
345.07333	0.5
347.08875	0.4
349.09262	1.0
357.17007	0.4
359.18463	4.5
371.18512	0.5
379.10294	0.4
383.18433	0.6
389.19485	4.2
399.17908	0.6
399.25275	0.5
401.19547	1.7
409.11041	0.7
413.19601	1.7
421.16449	3.0
427.12189	1.2
429.16687	0.7
445.12930	0.6
447.17996	5.1
463.14398	1.1
465.19034	5.0
471.17749	0.9
483.19809	0.5
485.19214	0.4
487.17422	0.7
489.18765	0.9
495.19473	0.5
501.19058	0.4
503.27707	0.4
513.18738	1.1
521.21832	1.5
531.19757	1.1
537.19482	0.5
539.22748	2.6
541.37433	0.3
555.19806	0.4
557.23175	0.4
557.36188	0.5
563.22467	0.5
573.20990	0.9
575.36243	0.6
599.37311	0.7
605.23315	0.8
619.39929	2.1
631.39594	0.8
635.38416	0.6
637.40204	1.3
641.38849	0.3
647.38605	0.8
649.40936	5.2
650.40570	0.5
655.39539	0.5
661.40851	2.8
665.39270	0.4
667.41174	0.9
673.40741	2.5
677.40295	1.6
679.42090	1.7
691.41876	2.1
755.40906	0.5
773.42438	2.3
781.42102	1.1
797.41431	0.8
799.29852	0.4
799.43982	6.7
800.44257	0.6
817.45288	4.7
823.42871	1.3
841.44049	1.2
865.44275	1.2
883.44910	0.7
889.43994	0.6
895.45233	0.4
907.45624	0.6
925.46289	0.7
943.48981	0.7
961.48236	0.7
1117.77820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0598
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.67620	1.7
53.03947	2.5
55.05495	6.6
57.03412	6.8
57.07067	54.6
65.03925	6.9
66.00336	1.8
67.01846	4.2
67.05494	100.0
68.05013	3.2
69.03411	2.5
69.07053	7.6
69.62251	9.8
69.62663	4.9
70.02939	4.3
71.04985	28.9
72.93774	23.8
74.12061	2.1
79.05511	2.0
83.04929	2.1
85.06532	35.8
88.25183	1.7
89.50164	1.7
90.00115	6.3
90.94822	5.6
94.72630	1.9
95.01318	8.7
95.04949	48.4
95.08600	5.2
96.08094	2.1
98.50832	4.5
99.00640	7.6
101.50906	2.9
112.99954	3.3
113.02350	81.6
113.03474	6.4
113.05982	46.9
113.09636	2.8
113.96416	2.7
114.02679	2.1
114.05514	5.4
114.09153	26.0
114.94023	1.8
119.95711	2.2
124.04469	1.9
129.79855	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
80.92030	0.2
89.07671	0.2
103.72536	0.2
184.07310	0.3
190.32663	0.2
381.24625	0.2
397.12808	0.7
410.13571	1.0
411.14362	2.4
412.15164	1.8
413.15866	0.8
414.15137	0.3
423.14624	0.5
424.11148	0.6
424.16299	1.1
425.16125	4.4
426.12326	0.3
426.16940	3.1
427.17130	1.0
428.17233	0.3
437.16226	0.6
438.13065	1.0
439.13123	3.3
440.13730	0.8
440.18314	1.7
441.19238	14.9
442.19519	2.6
443.19034	1.3
451.17654	0.4
452.14029	1.3
453.15039	4.5
454.15536	1.7
455.15997	0.8
458.14960	0.3
459.19495	0.2
463.14014	0.6
465.14938	0.3
466.12247	0.3
467.17200	15.7
468.17682	6.0
469.18658	9.5
470.19110	1.6
471.18497	0.8
472.17471	0.6
479.17227	0.2
480.16858	0.3
481.14838	13.5
482.15186	3.3
483.14975	1.1
484.15948	0.3
485.18008	0.6
495.16202	3.5
496.17142	8.5
497.17661	3.5
498.17178	1.5
499.15857	1.0
508.19244	0.6
509.18268	1.5
510.19669	0.5
512.20325	0.5
514.21643	0.3
522.17493	1.0
523.19244	0.8
524.20447	0.4
527.23456	1.2
536.19159	0.3
537.19696	0.6
538.19861	0.2
539.18756	0.3
540.19513	0.3
542.21625	0.5
555.14240	0.4
555.22351	5.7
556.22638	1.5
557.22449	1.4
568.19586	0.6
570.20172	0.2
583.21796	100.0
584.22046	15.0
585.21973	5.6
586.21942	0.7
611.21124	2.7
612.20959	0.3
615.24292	1.6
616.24689	0.3
642.23041	2.5
643.23840	48.4
644.24060	10.2
645.23932	7.7
646.24414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.7747
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03846	0.3
77.56966	0.2
79.05472	4.0
81.07038	12.1
83.04913	0.5
83.08611	2.6
85.06485	0.6
91.05451	5.2
93.07027	9.3
95.04956	1.1
95.08587	16.0
96.08843	0.3
97.06493	1.9
97.10151	2.1
97.30568	0.2
99.08064	2.0
103.05430	0.2
105.07011	15.9
106.64426	0.2
107.08571	14.0
109.06431	0.9
109.10133	16.1
111.07999	0.8
111.11629	0.7
113.09625	0.4
115.05378	0.7
115.07470	0.3
117.06983	3.1
118.07738	0.3
119.08557	14.4
120.08866	0.3
121.06396	0.6
121.10117	12.8
123.07992	0.7
123.11682	7.6
125.09623	2.0
125.13210	0.5
126.16957	0.2
127.11165	8.3
128.06187	1.0
129.06142	0.2
129.06972	3.3
130.07677	0.7
131.08543	11.8
132.09259	0.9
133.06393	0.3
133.10104	15.3
134.10738	0.2
135.07962	0.6
135.11668	12.4
135.12654	0.4
137.09592	0.3
137.13226	2.5
139.03734	0.3
141.06892	0.7
142.07745	1.4
143.08534	7.7
143.10612	1.8
144.09221	0.8
145.06398	0.4
145.10092	16.5
146.10689	0.7
147.07945	0.8
147.11656	13.9
149.05896	0.4
149.09573	1.3
149.13231	6.0
151.11072	0.6
151.14760	0.4
153.12651	0.4
154.07678	0.3
155.08531	2.5
156.09239	0.7
157.10100	11.9
158.10718	0.4
159.08026	0.5
159.11665	15.8
160.12141	0.3
161.09610	1.3
161.13223	12.1
163.07503	0.3
163.11143	1.4
163.14784	4.0
165.12709	0.5
165.16341	0.3
167.08456	0.2
168.09250	0.3
169.10091	2.6
170.10826	0.4
171.08014	0.3
171.11656	9.0
172.12166	0.3
173.09602	1.0
173.13234	8.9
175.11169	2.2
175.14796	5.0
177.09000	0.6
177.12709	1.2
177.16344	2.1
179.10640	0.6
179.14285	0.6
181.09984	0.8
183.11667	2.7
184.07210	0.4
184.12341	0.3
185.09575	0.8
185.13216	7.4
186.13629	0.3
187.11197	1.2
187.14780	9.9
189.09187	0.3
189.12724	1.1
189.14761	0.3
189.16350	5.4
191.10651	1.1
191.14233	0.6
191.17906	2.8
193.10138	0.2
193.12151	0.7
193.19492	0.6
195.11658	1.2
196.12279	0.3
197.13214	2.2
199.11099	0.6
199.14777	6.5
201.12730	1.3
201.16347	8.5
203.10675	1.0
203.12527	0.3
203.14249	1.9
203.17918	6.5
205.12111	0.8
205.15828	1.2
205.19583	1.0
207.13657	0.7
207.17261	0.7
209.11588	0.6
209.13237	0.9
209.18922	0.3
211.11198	0.3
211.14784	2.1
213.12653	1.0
213.16333	2.0
215.10626	0.5
215.14294	1.7
215.17856	2.3
217.12238	1.9
217.15822	2.0
217.19426	1.5
219.13803	1.1
219.17372	1.4
219.20993	0.6
221.13220	0.3
221.15247	0.3
221.19035	1.1
223.14862	0.5
223.16809	0.3
225.12759	0.4
225.16365	1.9
227.14305	1.0
227.17812	1.1
229.15802	0.8
229.19447	1.5
231.13773	3.3
231.17400	0.5
231.20976	0.5
232.14182	0.3
233.15363	2.2
233.18948	1.3
235.13135	0.3
235.20435	0.3
237.16351	0.4
237.18436	0.5
239.14276	0.2
239.17889	1.2
241.19424	0.7
243.13745	0.4
243.17203	0.2
243.21033	0.9
245.15352	2.3
245.17859	0.2
245.18910	0.4
245.22606	0.4
247.16853	1.0
247.20511	0.8
248.18913	0.2
249.14749	0.6
251.17979	0.6
253.19408	0.9
255.17314	0.3
255.21004	0.4
257.15399	0.3
259.20569	0.3
259.24152	0.3
261.22116	0.5
263.16159	1.1
265.19452	0.5
267.20963	0.7
271.16885	0.4
271.20483	0.3
277.19339	0.5
279.20898	0.7
281.18939	0.3
281.22455	0.5
282.36374	0.2
285.18427	0.5
285.21844	0.3
287.20129	0.3
287.23428	0.3
291.20929	0.4
293.22534	0.3
297.21985	0.6
299.20102	0.3
299.23596	0.4
301.25171	0.2
305.22745	0.2
307.24060	0.3
309.22086	0.3
309.25601	0.3
321.25595	0.8
325.21573	0.6
325.25180	0.3
327.23041	0.7
327.26315	0.4
335.23615	0.2
335.27261	0.5
337.25110	0.5
339.26730	0.6
343.22549	0.6
345.24005	0.3
347.27118	0.4
349.25037	0.3
351.22937	0.2
351.26840	0.4
353.28455	0.4
355.26108	0.7
357.27783	0.5
365.28488	0.3
367.26138	0.6
367.30121	0.4
373.27258	0.7
379.29858	0.8
381.27591	0.3
385.27417	0.5
389.31985	2.6
391.33447	0.4
393.27542	0.2
395.29437	0.9
397.26962	0.5
407.33032	17.0
408.33368	0.7
409.34525	2.1
413.30640	0.4
416.05615	0.2
417.31351	1.7
425.34079	23.4
426.34293	1.0
427.35538	0.6
435.32532	19.3
436.32941	0.8
443.35239	2.9
453.33560	39.8
454.33679	1.4
471.34637	24.9
472.34949	0.7
489.35706	7.3
506.38501	3.2
566.40405	100.0
567.40759	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	1113.5764
Annotation	Unknow
Peak:m/z	Relative Intensity
85.07075	0.1
107.24454	0.1
115.82413	0.1
138.76703	0.2
168.66838	0.1
184.07132	0.3
200.23128	0.1
249.39426	0.1
308.97644	0.1
386.13281	0.1
396.11917	0.2
397.12729	0.5
398.13525	0.2
399.14398	0.2
409.12723	0.4
410.13632	1.1
411.14398	2.3
412.15311	1.7
413.15857	1.1
422.13397	0.2
423.09808	0.2
423.14246	0.5
424.10617	0.6
424.15033	1.3
425.16071	5.0
426.11377	0.2
426.16748	3.9
427.17395	1.4
428.18729	0.6
437.11395	1.1
438.12195	2.3
438.17020	0.5
439.13245	6.2
439.18744	0.2
440.13519	0.7
440.18991	3.2
441.19235	15.9
442.19662	2.3
451.13834	0.8
452.13937	2.1
453.15063	7.1
454.15735	2.4
455.16385	0.3
456.13461	0.3
457.14908	0.4
458.15588	0.4
463.13635	0.6
464.14526	0.3
465.15247	0.5
466.16635	0.8
467.17123	15.1
468.17651	8.0
469.18771	7.3
470.19586	1.0
471.16306	0.5
472.17337	0.2
477.15347	0.6
478.16068	0.8
479.16547	0.3
480.13431	1.1
481.14648	10.4
482.15216	3.5
483.15796	0.8
484.13721	0.4
484.17462	0.4
485.12625	0.2
485.18225	0.5
486.18692	0.3
487.19696	0.3
493.15326	0.3
494.15948	0.7
495.16473	19.6
496.16910	23.5
497.17484	3.7
498.17834	0.5
499.15869	0.6
499.19757	0.4
507.16141	0.3
508.19666	0.7
508.71213	0.2
509.18390	1.6
510.18509	0.7
511.19708	0.2
512.21277	0.6
513.17413	1.2
514.17133	0.6
514.22217	0.8
522.17615	0.7
523.19751	1.1
524.16882	0.4
525.17456	0.4
527.19409	0.7
527.22607	0.8
528.18823	0.9
536.19104	1.7
537.19348	2.0
538.18469	0.6
539.18695	0.5
540.19916	0.4
541.20386	0.3
542.21417	0.6
551.19324	0.2
555.22327	15.6
556.22797	1.5
557.22223	0.2
567.18518	0.4
568.19061	0.8
569.19727	0.2
570.20984	0.2
573.22906	0.3
582.20874	0.6
583.21783	57.7
584.22015	8.2
585.21661	0.9
586.20569	0.5
587.25238	0.8
599.21057	0.4
600.21375	0.7
610.20636	0.6
611.21094	1.9
614.23389	0.6
615.24377	2.5
627.20490	0.2
628.20923	0.4
642.23114	25.7
643.23688	100.0
644.23822	7.2
645.24078	0.6
1130.88220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.117
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.00294	0.6
53.03945	1.2
55.01867	0.9
55.05505	30.6
55.54743	0.4
56.05023	0.7
56.05846	0.8
57.07061	1.5
58.06588	6.3
62.95640	0.4
67.05509	2.1
68.05020	1.2
69.03415	1.0
69.04543	1.0
69.07059	100.0
69.92532	0.8
69.92957	1.8
70.06584	6.2
70.07400	2.5
71.06104	1.6
82.05300	0.7
83.04995	2.5
83.06075	2.0
83.08612	0.9
85.07663	0.5
85.50861	0.4
86.52998	0.4
88.00464	1.0
93.07024	0.5
94.06540	1.2
95.06073	1.1
97.00993	0.8
99.51281	0.8
110.07172	0.5
111.04426	3.0
111.05566	4.3
111.06251	0.5
111.06725	0.8
111.07408	0.5
111.08038	0.9
111.09190	17.3
111.09965	0.9
111.11720	0.9
112.03946	1.2
112.05062	1.2
112.07562	0.8
112.07872	0.6
112.08724	10.5
112.09480	0.6
112.11209	1.6
115.96411	0.8
116.80983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.7431
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05472	7.9
81.07040	25.9
83.04880	0.5
83.08598	6.4
85.06506	0.8
91.05456	10.3
93.07018	16.1
95.04952	2.7
95.08584	30.9
96.08884	0.9
97.06511	6.3
97.10142	3.8
103.05384	0.6
105.07005	31.2
107.08568	21.6
109.06449	1.2
109.10131	38.4
110.10436	0.5
111.11640	1.9
113.05953	0.5
115.05396	1.0
117.06985	6.0
119.08556	20.5
121.06411	1.0
121.10118	19.4
123.08001	0.9
123.11675	12.9
125.09600	0.5
127.11122	0.7
128.06175	2.5
129.06985	5.7
130.07692	1.4
131.08539	17.9
133.06400	0.5
133.10100	20.4
135.07999	0.7
135.10698	0.7
135.11664	12.7
137.09528	0.6
137.13219	5.9
139.07449	0.6
139.14729	0.5
142.07751	4.3
143.08530	17.3
144.09225	1.7
145.10091	20.5
146.10713	0.5
147.08015	1.3
147.11658	21.9
149.05855	1.4
149.09616	2.2
149.13232	11.9
149.94086	0.5
151.07481	0.6
151.11105	0.6
151.14720	1.5
153.06924	0.9
154.07716	1.3
155.08522	13.1
156.09352	2.4
157.10101	23.1
158.10886	1.0
159.08032	0.6
159.11653	23.7
160.12019	0.5
161.09543	2.0
161.13216	19.3
163.07478	0.8
163.11082	2.1
163.14774	9.9
165.06940	0.5
165.09094	0.6
165.12718	0.5
165.16296	0.7
166.07770	0.5
167.08501	1.9
168.09296	1.0
169.08723	0.8
169.10094	11.2
170.10829	1.8
171.10234	0.8
171.11649	14.5
172.12439	0.7
173.09508	1.7
173.13214	10.9
174.13593	0.5
175.07515	1.0
175.11176	2.7
175.14766	6.5
177.09059	1.5
177.12688	1.8
177.16345	4.1
179.08493	0.8
179.10617	0.6
179.14223	0.6
181.10091	3.5
182.10840	0.7
183.11664	9.8
184.07291	0.9
184.12320	1.4
185.09518	1.4
185.13205	12.6
186.13666	0.5
187.11183	3.1
187.14772	8.7
189.09073	0.7
189.12674	1.1
189.16353	6.1
191.10629	2.2
191.17915	2.7
193.10071	1.1
193.12109	0.5
193.19511	0.5
194.10921	0.6
195.10182	1.1
195.11615	4.9
196.12234	0.8
197.09497	1.1
197.13214	7.8
198.14099	1.1
199.11121	1.5
199.14766	7.3
201.08997	1.6
201.12660	1.6
201.16333	5.9
203.10617	2.4
203.14317	2.3
203.17921	7.3
205.12103	2.8
205.15797	1.0
205.19447	2.3
207.11578	1.2
207.13603	0.8
207.21036	0.5
209.11568	2.0
209.13202	5.3
211.11107	1.0
211.14772	6.5
212.15448	0.7
213.12659	1.4
213.16298	3.1
215.10635	4.2
215.14229	1.5
215.17870	2.8
217.12177	4.4
217.15759	1.2
217.19423	3.2
219.13651	1.2
219.17387	0.8
219.21078	3.1
221.11449	0.7
221.13324	1.1
223.13040	0.4
223.14838	4.1
225.12653	0.9
225.16328	4.5
227.10622	1.1
227.14215	1.1
227.17738	2.2
229.12204	4.3
229.15825	2.6
229.19470	1.8
231.13748	8.4
231.20996	2.5
233.11600	0.7
233.15331	1.2
235.14859	1.0
237.16325	3.3
239.14334	1.1
239.17834	2.7
241.12091	1.1
241.15758	0.9
241.19458	1.1
243.13699	4.1
243.21071	1.5
245.11673	0.7
245.15279	2.5
245.22618	1.6
247.13168	1.7
249.14716	1.5
249.16718	0.8
251.14198	0.7
251.17969	4.4
253.15654	0.7
253.19489	2.7
255.13766	2.3
255.17262	0.6
257.15277	6.5
259.13275	0.8
259.16830	0.6
259.24094	0.9
261.14804	2.0
263.18039	0.8
265.15924	1.0
265.19409	2.1
267.20981	0.8
269.15320	3.9
269.18832	2.4
269.22095	0.7
271.16757	2.3
273.14828	0.9
275.16367	3.6
277.19592	1.0
279.17792	0.8
279.21011	3.0
281.15186	0.6
281.19202	0.7
281.22546	1.8
283.16846	4.7
283.20062	0.9
283.23895	0.8
284.17252	0.6
285.18433	1.1
287.16312	2.1
289.17892	1.3
291.21039	0.7
295.16824	1.7
297.18457	9.2
297.21927	1.4
299.19940	0.5
301.17963	2.9
305.22614	0.7
307.23987	2.3
309.18420	1.3
309.25653	0.8
311.20160	2.3
315.19507	11.3
319.24127	0.8
321.25909	0.5
323.19965	1.3
323.23608	0.8
325.21671	5.2
325.25214	0.8
327.23169	1.0
329.21085	1.8
333.25610	0.5
335.27200	1.0
337.21570	0.9
337.25131	1.1
341.21088	1.3
343.22623	7.3
347.27319	1.8
351.23132	1.0
351.27005	0.7
353.24619	6.6
355.26218	1.1
365.24481	1.2
365.28336	1.2
369.24283	0.8
371.25705	11.7
375.26767	0.9
379.26355	2.2
383.25809	1.2
389.32156	2.7
389.36279	0.5
391.33472	1.7
393.27747	4.9
397.27328	6.6
401.26312	0.8
405.31726	0.7
407.33063	4.8
411.28851	6.1
417.31479	1.1
423.32520	1.3
435.32516	29.6
436.33096	1.5
451.32077	1.2
453.33554	100.0
454.33777	4.7
469.33038	14.3
470.33383	0.8
487.34048	7.9
507.92438	0.5
513.35693	1.5
530.38269	1.4
564.38837	81.3
565.39160	4.2
1072.83081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0443
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03934	1.5
55.01868	4.4
55.05506	33.6
56.05818	1.0
59.22838	0.5
65.03934	5.9
65.82155	0.5
67.05495	2.3
68.05023	1.0
69.03424	4.0
69.07059	6.4
70.26556	0.6
70.84200	0.9
70.84554	1.3
71.01337	0.7
78.99922	0.8
83.04971	34.3
83.06059	1.0
87.00436	2.3
87.50585	3.0
88.00471	23.0
88.50322	1.4
89.00243	4.8
91.05469	0.8
92.98856	0.6
93.03404	1.8
93.07023	2.5
95.04939	0.9
96.00986	0.7
96.51060	0.6
97.00993	31.4
97.51157	0.8
98.00749	6.3
99.51260	4.6
100.51008	0.9
106.01516	2.3
107.01293	0.8
108.51775	1.6
111.04428	100.0
111.08047	4.2
111.09182	0.9
112.04753	2.2
112.07584	2.3
113.96407	1.7
115.96421	9.7
116.97270	3.3
117.95977	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0806
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
53.03942	5.1
55.01864	100.0
55.05502	50.6
56.02197	1.8
56.05836	1.9
57.93545	1.4
65.03922	7.6
67.05492	6.0
68.05016	1.1
68.99796	1.0
69.03419	21.6
69.06717	1.3
69.07059	17.0
69.99442	0.9
70.06568	1.5
71.01350	1.6
71.62338	1.5
76.49652	1.0
78.64337	1.0
78.99934	3.1
81.07049	3.3
82.05302	1.2
83.04969	43.9
83.08598	3.9
84.05297	2.2
84.08136	1.2
85.02878	1.1
87.00434	5.7
87.50599	5.6
88.00468	65.1
88.50334	2.2
88.50727	1.2
89.00240	18.0
90.50736	1.2
91.05470	10.1
93.03381	4.1
93.07030	17.1
95.04954	4.8
96.00959	2.1
97.00986	94.6
97.51167	2.5
98.00748	21.1
98.51238	1.6
99.51258	17.8
100.51019	4.2
106.01505	8.4
107.01255	4.0
108.51797	7.1
109.51523	1.5
111.02032	1.9
111.04424	48.8
111.05547	5.7
111.08064	47.3
111.09221	2.6
112.03948	5.2
112.04684	1.7
112.07603	12.4
112.08356	2.3
113.96381	3.8
114.96534	1.2
115.96417	30.3
116.97218	10.9
117.95975	8.0
118.96722	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03932	2.4
55.01862	4.6
55.05503	42.8
56.05824	1.5
56.96545	1.4
62.89956	0.7
65.03938	4.5
67.05495	1.3
67.49151	0.8
69.03425	4.4
69.07049	3.4
70.13615	1.9
70.14026	1.7
71.01322	0.8
71.73080	0.7
76.49678	0.9
78.99939	1.9
79.99726	0.6
82.04205	0.6
83.04971	38.4
87.00457	5.8
87.50623	4.4
88.00469	39.6
88.50284	3.6
88.99805	0.7
89.00256	6.8
91.05463	1.4
93.03397	1.1
93.07018	2.0
95.04944	0.8
96.00977	1.3
96.51094	1.3
97.00990	52.8
97.51163	1.5
98.00754	10.1
98.21455	0.9
99.01440	1.0
99.51254	8.4
100.01452	0.8
100.51028	1.8
105.39811	0.7
106.01499	5.6
108.51793	3.6
109.51537	1.4
111.04427	100.0
111.08072	6.1
111.09193	1.5
112.04041	0.9
112.04729	3.1
112.07570	2.0
113.96394	3.0
114.96504	1.0
115.95654	1.3
115.96427	17.7
116.97210	4.1
117.95963	3.0
118.96744	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60057	0.4
53.03942	2.5
55.01864	3.8
55.05505	36.4
56.05840	0.8
57.93560	0.9
65.03938	3.4
65.30114	0.5
67.05494	0.8
69.03418	3.7
69.07067	4.3
69.99378	0.9
70.19594	2.6
72.76398	0.5
76.48719	0.5
76.49672	0.7
76.51568	0.6
77.99910	0.6
78.99908	1.3
83.04971	33.8
84.05260	0.7
85.02880	1.5
87.00449	3.7
87.50623	4.4
88.00469	32.2
88.50291	2.7
89.00236	5.7
91.05482	0.8
93.03403	0.9
93.07028	2.0
96.51080	0.8
97.00991	40.4
97.51185	1.2
98.00754	8.6
99.51255	9.2
100.01094	0.6
100.51016	1.3
106.01517	3.8
107.01266	1.5
108.51778	2.3
111.04426	100.0
111.08066	4.8
111.09191	0.8
112.04028	0.9
112.04789	2.1
112.07590	1.9
113.96391	1.8
115.96429	18.0
116.97218	3.6
117.95975	3.3
118.96711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.2
55.01874	0.6
55.05499	8.3
59.81458	0.5
60.26776	0.6
65.03934	3.1
67.05498	100.0
68.05837	2.3
69.07056	6.2
69.79940	1.4
69.80342	3.1
72.93777	1.0
77.99936	0.6
78.71470	0.6
79.05478	8.3
80.06240	1.3
81.03416	11.9
81.07047	33.2
82.07372	1.0
82.60348	0.6
86.00671	0.8
86.50573	0.8
87.00455	16.5
88.49773	0.6
91.05459	1.5
94.04175	0.8
94.07843	1.3
96.00965	2.9
98.51263	2.0
105.07020	1.1
106.91147	0.6
107.08605	3.5
108.23539	0.7
109.02892	5.4
109.06521	7.8
109.10143	67.6
110.06038	2.5
110.10487	2.4
112.96673	0.6
113.96396	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	109.1012
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03931	1.4
55.05499	8.3
58.07278	0.5
65.03933	3.2
65.43419	0.5
66.49120	1.1
67.05491	100.0
68.05827	2.1
68.99391	1.1
69.07052	5.9
69.86975	2.3
71.94085	0.5
72.93773	2.9
73.83932	0.4
77.00160	0.6
77.99945	2.5
79.05470	5.5
80.06278	1.2
81.03426	1.4
81.07041	30.8
82.05449	0.4
82.07368	1.0
86.00686	7.8
86.50597	5.4
87.00447	75.3
89.50700	2.5
90.94806	1.3
91.05430	0.5
94.07812	1.4
95.01230	0.8
95.51131	1.5
96.00961	14.2
97.51478	1.7
97.68047	0.6
98.01407	1.5
98.50581	0.9
98.51232	18.6
105.01492	0.8
107.08575	3.6
107.51758	0.9
108.95848	0.9
109.06487	1.6
109.10133	81.2
110.02032	3.3
110.06017	1.8
110.10457	3.7
111.96865	2.5
112.96693	2.1
113.96379	30.8
119.71230	0.5
129.97903	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	1.2
53.03937	14.0
54.28547	1.0
55.01854	1.8
55.05503	9.2
65.03927	4.1
67.05492	100.0
68.05818	2.2
69.07054	6.5
69.46962	3.0
69.47375	8.1
79.05479	34.8
80.05823	2.1
81.03411	24.9
81.07040	56.7
82.07363	1.4
86.00697	1.4
87.00447	24.3
91.05466	6.4
94.04173	3.0
96.00961	5.7
105.06979	1.1
107.08588	4.3
109.02856	5.6
109.06503	62.9
109.10137	81.8
110.03653	11.0
110.06026	2.4
110.06806	2.2
110.10500	2.9
113.96380	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	109.1013
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03941	5.6
54.04285	0.6
55.05504	8.3
59.42073	0.6
65.03930	2.9
67.05492	100.0
68.05834	2.5
69.07054	5.9
69.47562	4.8
72.93768	0.7
77.99923	1.3
79.05483	7.6
80.06244	1.2
81.03408	11.5
81.07040	31.7
82.07377	1.2
86.00682	2.8
86.50574	0.8
87.00449	24.5
88.36581	0.7
90.94788	1.0
91.05467	1.4
94.07796	1.4
95.52849	0.8
96.00976	3.6
98.51237	1.3
107.08581	3.8
109.02837	3.5
109.06507	7.6
109.10137	69.8
110.06028	2.7
110.10497	1.6
111.96815	0.8
113.96376	8.8
129.97832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51654	0.6
53.00274	0.2
53.03930	0.7
54.04256	0.4
55.01614	0.2
55.01863	2.9
55.05503	5.6
55.93505	0.2
56.05027	0.9
56.96316	0.2
56.96555	1.8
57.03417	0.5
57.05781	0.2
57.52430	0.3
57.93535	0.4
58.85461	0.1
58.99846	0.3
59.04988	0.2
59.52176	0.6
60.52043	0.2
62.02442	0.3
65.03928	2.0
65.52174	0.4
65.99309	0.2
66.49139	0.4
66.52935	1.5
67.04231	0.5
67.05489	1.0
68.02631	0.5
68.05013	0.6
68.05829	0.3
68.45294	0.3
68.52715	0.3
68.95271	1.9
69.03445	3.1
69.04536	0.2
69.07042	0.4
69.53247	0.2
69.84067	1.0
70.06572	0.3
71.01334	0.3
71.02978	1.3
71.94077	0.4
72.04503	5.9
72.08133	0.8
72.52942	0.5
72.93765	1.0
73.04892	0.3
73.05281	1.7
73.37593	0.2
74.06065	1.5
74.52695	0.3
74.99821	0.3
75.53478	10.5
76.03548	1.0
76.49673	0.3
76.51578	0.8
76.53343	0.7
77.00875	0.9
77.50075	0.2
77.99921	1.5
78.03730	4.0
78.52960	0.9
78.53791	0.7
78.99920	0.3
79.01846	0.9
79.03614	0.3
79.05466	0.2
80.03542	0.2
80.04984	0.3
81.03401	1.6
81.04539	0.3
81.53484	0.2
82.01419	1.5
82.03738	1.4
82.04169	0.3
82.05305	1.1
82.06570	1.6
82.07375	0.3
82.53777	0.2
83.01443	0.2
83.04969	7.9
83.06083	4.7
83.06584	0.2
84.00340	0.2
84.04495	0.4
84.08102	0.3
84.52905	0.4
84.54002	3.3
84.94630	0.2
85.02878	0.2
85.04049	0.5
85.52039	0.4
85.53753	0.8
85.54236	0.1
86.50604	2.2
86.51080	0.3
86.51773	0.2
86.52687	0.5
86.54491	0.5
87.00454	26.4
87.02493	1.3
87.04265	100.0
87.50612	1.1
87.53441	0.9
87.54328	15.8
88.00463	14.9
88.02372	0.6
88.04117	5.7
89.03442	0.2
89.50707	0.3
89.54530	0.6
90.50709	0.2
90.94825	0.5
91.05473	0.2
91.53703	0.2
92.05024	0.4
93.03392	0.5
93.04514	2.7
93.05763	0.2
93.07040	0.2
93.53466	0.4
94.05049	0.8
94.54245	0.4
95.01917	0.3
95.04935	0.4
95.51121	0.4
95.53208	0.5
96.00397	0.1
96.00961	3.7
96.01534	0.3
96.02414	0.2
96.03008	0.4
96.04784	11.8
96.51067	0.2
96.53107	0.2
96.53996	0.4
96.54852	2.3
97.00986	17.1
97.02878	0.6
97.04659	0.4
97.51192	0.2
98.01324	0.3
98.03531	0.2
98.51244	2.7
98.52648	0.8
98.54506	0.5
98.55047	9.7
99.01342	0.2
99.04266	0.4
99.05118	1.6
99.51251	2.6
99.54884	0.3
99.81551	0.2
100.02460	10.4
100.54227	0.2
101.02517	1.4
102.02225	0.9
102.95674	0.3
103.02448	0.4
104.01834	0.2
105.00356	0.5
106.01503	1.4
107.53200	0.3
107.55605	0.3
108.04758	0.4
108.51761	0.7
108.95837	0.5
110.02023	0.2
110.03675	3.6
110.06023	18.6
110.07153	5.6
110.07943	0.4
110.09670	0.5
110.10457	0.2
111.00774	0.5
111.02089	0.2
111.04425	7.2
111.05559	3.2
111.06367	0.4
111.08072	0.6
111.09187	1.4
112.96661	0.9
113.96379	8.4
114.04005	0.2
114.96612	0.2
115.01151	0.5
115.02435	0.3
115.96412	5.9
116.48136	0.4
116.97196	1.8
118.03501	8.9
119.01880	0.7
119.03597	0.9
120.03221	0.9
121.01621	0.3
121.03464	0.2
123.01405	0.4
123.03236	0.2
123.04071	0.6
129.03960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.7538
Annotation	Unknow
Peak:m/z	Relative Intensity
78.89148	0.2
79.05479	4.9
81.07042	17.6
82.07366	0.2
83.04949	0.3
83.08607	7.7
85.10168	0.2
91.05464	4.8
93.07027	8.4
95.04951	1.4
95.08589	21.1
97.06511	1.2
97.10153	3.3
103.05428	0.3
105.06285	0.3
105.07009	11.5
107.08575	13.1
109.06490	0.6
109.10136	28.1
110.10468	0.3
111.08048	0.4
111.11697	2.6
113.05975	0.2
115.05463	0.7
117.06995	3.0
119.08560	8.7
121.06472	0.6
121.10121	11.1
123.08052	0.6
123.11684	9.9
125.09573	0.4
125.13266	0.5
128.06174	1.6
129.06984	4.3
129.07889	0.4
130.07768	0.4
131.04933	0.2
131.08542	10.8
132.09335	0.2
133.06467	0.4
133.10110	9.1
135.08012	0.4
135.11673	7.3
137.13239	4.6
139.07512	0.2
139.14786	0.3
141.05930	0.3
141.06940	2.2
142.07776	2.3
143.08536	10.3
144.09271	0.9
145.06470	0.4
145.10100	9.8
146.10855	0.2
147.08028	0.5
147.11661	8.9
149.05965	0.7
149.09599	1.3
149.13239	6.2
150.13506	0.2
151.07520	0.2
151.14833	1.6
153.07002	0.6
154.07753	0.8
155.08519	9.0
156.09337	1.6
157.10098	12.1
158.10875	1.0
158.12054	0.2
158.33603	0.2
159.08047	0.5
159.11662	9.5
160.12181	0.3
161.09586	1.4
161.13229	5.1
163.07503	0.4
163.11171	0.7
163.14793	7.4
165.06917	0.4
165.09146	0.3
165.16330	0.9
166.07814	0.3
167.08551	2.0
168.09235	1.1
169.10091	7.7
170.10844	1.1
171.11662	9.2
172.12141	0.4
173.05968	0.3
173.09651	1.1
173.13229	4.9
175.07585	0.2
175.11130	1.2
175.14792	2.3
177.09126	0.8
177.12723	0.3
177.16328	1.8
179.08539	0.7
179.10680	0.3
179.14264	0.2
179.17987	0.5
180.09346	0.5
181.10101	3.9
182.10828	0.7
183.11659	8.7
184.12427	1.5
185.09636	0.7
185.13214	5.7
185.14815	0.3
186.13869	0.2
187.11261	1.4
187.14792	3.3
189.09142	0.4
189.12724	0.8
189.16327	2.4
191.10599	0.9
191.17918	1.7
193.10112	1.1
193.12096	0.3
193.19469	0.2
194.10867	0.5
195.10132	0.4
195.11668	5.1
196.12395	1.1
197.09634	0.9
197.13234	8.0
198.14006	1.7
199.07570	0.4
199.11203	0.9
199.14790	3.5
201.09119	1.3
201.12764	0.8
201.16351	2.5
203.10605	1.7
203.14310	0.6
203.17899	2.4
205.10356	0.2
205.12207	0.6
205.15887	0.4
205.19543	2.2
206.10847	0.2
207.11691	1.4
207.13579	0.4
207.21022	0.4
208.12463	0.4
209.09959	0.2
209.11720	0.3
209.13245	4.5
210.13864	0.6
211.11244	0.6
211.14784	5.6
212.15482	0.5
213.09071	0.3
213.12617	0.9
213.16312	2.6
215.10660	2.0
215.14256	0.6
215.17912	1.4
217.12175	2.2
217.15825	0.5
217.19473	1.5
219.11829	0.3
219.13763	0.5
219.21040	3.9
221.13390	1.2
222.14027	0.3
223.11331	0.4
223.14789	5.2
224.15532	0.5
225.12737	0.7
225.16302	3.1
226.17160	0.6
227.10655	0.6
227.14351	0.5
227.17865	1.0
229.12231	2.7
229.15848	2.9
229.19394	1.2
231.13760	1.9
231.21028	1.8
233.11774	0.6
233.15346	0.4
233.22638	0.4
235.15126	1.0
237.12718	0.4
237.16348	3.3
239.14270	0.8
239.17902	1.8
241.12152	1.6
241.15883	0.6
241.19482	0.5
243.13791	2.4
243.21056	0.7
245.11549	0.2
245.15443	0.9
245.22609	1.4
247.13286	0.8
247.17090	0.3
249.16780	1.1
250.17192	0.4
251.14165	0.3
251.15053	0.2
251.17931	4.5
252.18512	0.4
253.12212	0.3
253.15706	0.3
253.19505	1.9
255.13757	2.4
255.17398	1.3
257.15332	6.5
257.22580	0.5
259.13391	0.4
259.16959	0.2
259.20938	0.2
259.24133	1.2
261.14560	1.0
263.17911	0.6
265.15952	0.5
265.19464	1.1
267.13785	0.5
267.17358	0.4
267.21033	0.4
269.15372	2.5
269.19006	2.5
269.22360	0.4
271.16953	1.6
273.14844	1.1
273.18436	0.3
275.16315	4.7
276.16559	0.2
277.19632	0.9
279.17413	1.5
279.21054	2.3
281.15341	0.6
281.19073	0.4
281.22241	0.9
283.13760	0.3
283.16913	6.0
283.20505	1.7
283.24091	0.6
285.18417	0.8
287.16425	2.1
289.17993	0.5
293.19247	0.3
293.22540	0.4
295.16968	1.2
295.20215	0.3
295.23947	0.3
296.17816	0.2
297.18454	16.0
298.18811	0.6
299.19965	0.3
301.17938	3.0
303.19681	0.4
305.22296	0.3
307.20493	0.5
307.24191	0.8
309.18484	1.3
309.25574	0.4
310.19174	0.2
311.20026	3.2
311.23410	0.3
313.17990	0.9
313.21396	0.3
315.19489	17.9
316.19888	0.5
317.21091	0.3
321.25833	0.4
323.20114	1.1
324.20273	0.4
325.21606	4.8
325.25189	0.6
327.19559	0.7
329.21106	2.6
333.25751	0.4
335.23401	0.3
335.27017	0.3
337.21704	0.2
339.23141	0.4
339.26920	0.3
341.21085	1.0
342.21924	0.4
343.22607	4.7
343.26752	0.2
345.23932	0.3
347.27164	0.3
351.23083	0.8
353.24734	2.6
355.22678	0.2
357.24075	0.3
361.29001	0.5
365.24884	0.5
367.26367	0.3
369.24356	0.6
371.25729	4.0
379.26053	1.0
383.25842	0.7
389.31927	2.7
391.33737	1.4
393.27841	0.4
397.27310	1.3
407.33035	5.3
408.33173	0.2
409.34814	0.4
417.31335	1.2
425.34302	1.3
435.32526	30.4
436.32864	1.2
440.38171	0.2
453.33557	100.0
454.33951	4.3
459.18100	0.3
471.34448	1.1
513.35809	2.6
530.38354	3.1
548.39374	23.6
549.39551	1.0
663.38574	0.2
765.35559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.7532
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05476	9.6
81.03402	1.0
81.07043	28.5
82.07386	0.7
83.04988	0.7
83.08614	5.0
91.05460	13.2
93.07028	21.7
95.04937	3.0
95.08591	40.5
96.08929	1.0
97.06518	2.5
97.10154	2.4
99.08064	4.3
101.19987	0.6
101.24355	0.7
103.05428	1.4
105.07015	36.1
106.07340	1.7
107.08576	25.4
109.06488	1.6
109.10139	37.8
110.10476	0.8
111.08110	0.9
111.11691	2.7
113.05966	0.6
113.09635	1.3
115.05441	1.6
117.06997	8.8
119.08562	27.4
120.08923	0.6
121.06459	1.4
121.10122	25.2
122.10422	0.7
123.08053	1.4
123.11682	15.3
124.12010	0.7
125.09608	1.5
127.11176	16.7
128.06204	1.9
129.06993	7.7
130.07797	1.0
131.08553	24.6
132.09323	1.1
133.10112	32.3
134.10475	1.0
135.08047	1.7
135.11659	21.2
136.11954	0.7
137.13258	5.5
139.11172	0.7
141.06966	2.7
141.12694	0.6
142.07762	5.0
143.08539	15.4
144.09268	2.0
145.06458	1.0
145.10101	34.4
146.10568	1.2
147.08018	2.4
147.11658	25.4
148.12039	1.4
149.05965	1.3
149.09590	2.6
149.13240	12.1
151.14883	0.9
154.07715	0.7
155.08546	5.9
156.09315	2.2
157.10106	26.7
158.10744	1.2
159.11665	37.8
160.12082	2.2
161.09589	3.3
161.13231	19.9
162.13582	1.4
163.03923	0.7
163.11124	3.2
163.14807	5.8
165.12791	1.3
165.16377	0.8
167.08546	1.4
169.10097	7.3
170.10780	1.7
171.11662	16.1
172.12268	0.8
173.09665	2.2
173.13243	17.1
175.11211	3.2
175.14810	9.4
176.15269	0.8
177.09152	1.2
177.12723	1.8
177.16364	3.4
181.10126	2.1
183.11665	7.1
183.13168	0.8
184.07304	0.7
184.12294	0.7
185.09630	1.5
185.13226	15.7
186.13745	1.2
187.11189	2.6
187.14789	16.9
187.16412	1.1
188.15195	0.7
189.12686	3.6
189.16347	8.1
191.10629	2.6
191.14293	1.6
191.17924	5.2
193.12250	1.2
193.19630	0.8
195.10101	0.8
195.11700	2.6
197.13251	5.4
199.11179	1.8
199.14790	11.5
201.12732	2.1
201.16344	20.1
202.16743	1.6
203.10658	1.8
203.14430	3.5
203.17932	15.4
203.19711	1.1
205.12202	2.9
205.15800	2.8
205.19469	2.8
207.13899	0.9
207.17412	1.5
209.11624	1.4
209.13318	2.9
211.14819	4.4
213.12799	3.0
213.16302	4.8
215.10689	1.4
215.14304	3.1
215.17908	4.2
217.12250	3.7
217.15862	3.8
217.19444	2.8
219.13864	2.9
219.17476	2.5
219.21089	1.0
221.13260	0.9
221.18939	3.4
223.14850	2.0
225.16322	3.2
227.14323	2.1
227.17906	1.2
229.12225	1.2
229.15973	1.4
229.19482	3.4
231.13776	8.0
231.21019	1.1
232.14142	1.0
233.15381	3.5
233.18994	2.2
233.22490	0.6
235.20654	1.9
237.16507	1.2
239.17876	2.3
241.19398	1.4
243.13913	1.6
243.21111	1.3
245.15327	5.4
245.22821	0.7
247.16946	1.3
247.20633	2.9
249.14850	2.1
251.18083	1.1
253.19518	2.1
257.15399	1.7
263.16446	2.1
265.19608	1.4
267.20938	1.3
269.19083	0.8
269.22537	0.8
271.16791	0.6
271.20709	0.7
279.21124	1.9
281.22592	1.7
283.24054	0.9
285.21942	0.7
297.18561	1.1
297.21948	1.0
299.20044	1.0
299.23471	1.1
301.25189	0.6
307.24274	0.9
309.22174	1.2
309.25708	1.1
321.25748	1.2
325.21625	2.0
327.23160	1.7
327.26559	0.7
333.25876	1.1
339.26791	1.4
343.22592	2.7
345.24072	1.0
347.27084	0.8
349.25180	0.7
351.26801	0.7
353.24658	0.9
353.28546	0.8
367.26157	1.2
371.25497	1.4
379.25900	0.8
379.30017	1.5
385.27475	1.3
389.32077	6.0
391.33997	1.0
393.27856	0.9
395.29434	1.8
397.26996	1.1
406.31973	0.6
407.33057	35.1
408.33463	2.3
409.34598	4.5
417.31509	3.3
424.32870	0.7
425.34091	33.6
426.34476	2.8
433.31384	0.7
435.32538	47.0
436.32892	3.8
437.33554	0.9
443.34961	0.8
451.32562	0.6
452.32425	1.1
453.33578	56.1
454.33786	4.4
455.34344	0.6
470.33249	0.7
471.34656	25.9
472.35159	2.5
488.37234	3.2
547.38110	1.2
548.39392	100.0
549.39697	7.5
550.40100	0.8
558.12781	0.6
707.41315	0.9
859.65393	1.0
877.66705	6.8
878.66199	1.1
879.67676	1.1
895.67712	2.3
905.66010	1.2
921.44464	0.7
923.67133	1.8
941.68854	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	107.0493
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02349	0.3
53.03696	0.3
53.03936	4.1
55.01865	1.1
56.96552	0.5
65.03918	0.5
67.05499	0.3
69.03419	2.5
69.07052	0.3
70.03741	0.5
70.06582	0.3
70.11211	0.3
70.11612	0.6
71.04984	0.3
75.01060	0.2
77.03902	0.8
79.05480	11.1
80.05001	0.7
80.05869	0.2
81.03395	0.6
82.01474	0.2
83.52347	1.0
84.01585	0.2
84.08152	1.2
91.05470	4.7
92.52850	0.5
93.02033	0.2
93.05754	0.6
94.06541	0.3
94.52421	0.5
94.54234	0.2
95.04303	0.8
95.04945	7.8
95.54129	0.7
96.04288	0.4
96.05259	0.2
98.21511	0.2
100.02464	1.5
101.02534	1.4
102.02229	1.8
103.02444	0.3
104.03780	0.2
104.04819	1.0
104.54633	0.9
105.04488	2.0
105.07006	1.9
106.18277	0.2
106.55103	1.9
107.04937	100.0
107.08572	2.6
107.55043	0.2
108.04465	0.7
108.05270	3.2
108.08105	3.8
109.06506	1.2
111.06843	0.2
112.07595	4.1
113.07891	1.1
115.55628	0.8
118.03492	1.0
118.55672	0.3
119.03538	0.9
119.06105	0.2
120.03228	1.3
121.03481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01590	0.5
51.02378	1.3
53.03942	15.2
55.01862	0.9
65.03933	1.1
65.12737	0.3
70.95022	0.7
70.95399	0.7
74.23992	0.3
77.03908	3.0
79.05485	58.9
80.05016	0.3
80.05805	1.4
81.03402	1.8
91.05470	5.7
91.52423	0.3
95.04959	31.7
96.05278	0.9
105.04503	6.7
105.07014	1.8
107.04942	100.0
107.08575	4.2
108.04521	0.7
108.05269	3.9
108.08106	1.4
109.06502	1.2
117.34126	0.3
119.06050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.7368
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03902	1.6
77.55270	1.0
79.05478	13.2
81.07046	38.6
82.07385	1.1
82.48103	0.9
83.04973	1.3
83.08590	6.0
85.06505	1.0
86.09704	1.6
89.71461	0.9
91.05467	16.8
93.06455	2.0
93.07029	33.9
95.04937	6.7
95.08591	60.0
96.08925	1.7
97.06524	10.8
97.10159	4.2
99.08086	4.1
103.05465	0.9
105.07014	56.8
106.07352	1.3
107.08575	48.4
108.08917	1.5
108.45958	1.0
109.06492	3.3
109.10139	45.5
110.10455	2.0
111.08056	2.8
111.11697	1.9
113.05968	1.0
113.09624	1.2
115.05402	2.1
117.07001	11.4
118.07738	0.9
119.08564	49.3
120.08913	1.3
121.06477	3.1
121.10121	39.8
122.10477	1.7
123.08076	4.6
123.11687	18.1
125.09610	17.4
125.13202	0.9
126.09916	1.0
127.07491	1.0
127.11178	14.5
128.06219	4.3
129.06967	12.4
130.07814	2.0
131.08549	43.7
132.09308	1.2
133.10110	50.9
134.10394	1.1
135.08002	3.4
135.11664	40.3
136.11987	1.8
137.05962	1.0
137.13246	6.2
141.06961	3.1
142.07765	7.0
143.08534	29.0
144.09254	3.9
145.06485	1.1
145.10094	58.2
146.10530	2.2
147.08031	3.4
147.11662	43.6
148.12015	1.9
149.05978	2.0
149.09592	3.3
149.12195	1.3
149.13255	16.7
150.13615	0.9
151.11147	1.6
151.14786	1.2
155.08516	12.9
156.09312	5.0
157.10097	44.1
158.10608	2.9
159.11668	59.6
160.12027	2.7
161.09624	4.5
161.13223	32.4
163.11105	5.1
163.14795	8.8
165.07008	1.2
165.12723	1.6
165.16310	0.9
167.08482	1.2
169.10106	11.3
170.10747	2.2
171.11667	31.1
172.12132	1.7
173.09688	4.5
173.13242	32.2
174.13562	2.3
175.11177	5.9
175.14801	14.9
177.09097	1.0
177.12723	3.3
177.16393	4.5
178.16608	1.0
179.08385	1.4
179.10722	1.3
181.10081	3.3
182.10840	1.1
183.11676	9.3
184.07277	1.9
184.12363	0.9
185.09599	2.7
185.13222	26.0
186.13666	1.2
187.11255	5.8
187.14777	34.1
189.12700	4.9
189.16356	12.1
191.10617	3.4
191.14265	2.5
191.17865	5.1
193.10220	1.2
193.12239	2.0
193.19533	1.3
195.11705	5.8
196.12553	0.9
196.70328	1.2
197.13271	9.4
197.28185	0.9
198.13911	1.0
199.11124	2.9
199.14789	28.8
200.15207	2.1
201.12701	4.3
201.16359	32.1
202.16684	2.8
203.10634	2.9
203.14296	5.7
203.17921	13.3
205.12254	3.6
205.15901	4.2
205.19473	3.1
207.13698	1.2
207.17459	1.5
209.11560	2.2
209.13245	3.9
211.14809	7.1
213.12650	4.1
213.16325	8.9
215.10709	2.4
215.14331	5.5
215.17856	8.7
217.12242	7.9
217.15807	10.1
217.19450	3.8
219.13831	3.0
219.17459	2.6
219.21019	1.1
221.13245	1.4
221.18977	2.6
223.14783	2.6
225.12679	1.3
225.16341	4.0
227.14287	2.8
227.17902	4.6
229.12221	2.0
229.15819	2.2
229.19554	5.1
231.13762	13.6
231.17430	3.0
231.21089	2.5
232.14188	1.0
233.15347	7.4
233.18921	2.7
235.15071	1.6
237.16461	2.2
239.14249	1.4
239.17929	2.3
241.19524	3.3
243.13824	2.9
243.17441	2.1
243.21068	2.1
245.15295	7.1
245.19041	3.0
245.22643	2.1
247.16997	1.6
247.20547	4.1
249.14839	3.0
251.18121	1.6
253.19504	3.1
255.21170	1.3
257.19003	1.1
259.20544	1.1
263.16434	3.9
265.19479	2.8
267.20911	1.4
271.17233	1.2
271.20267	0.9
277.19464	1.7
279.21008	2.4
281.19067	1.2
281.22525	3.0
289.18176	1.2
295.20560	1.0
297.22220	1.3
299.23480	1.3
311.23444	1.0
319.24048	2.3
321.25757	2.5
325.21463	1.5
337.25217	1.6
343.22729	1.7
349.25031	1.6
355.26248	1.2
367.26245	3.7
371.25720	1.4
373.27194	2.0
377.28253	1.4
385.27393	2.3
387.30463	5.6
389.31909	5.4
405.31488	36.4
406.31885	5.8
407.33020	31.0
408.33249	2.0
409.34589	4.3
415.29678	3.0
417.31400	2.4
423.32516	38.0
424.33051	4.9
425.34018	23.4
426.34418	1.4
433.30978	33.1
434.31232	4.6
435.32471	33.9
436.32855	1.3
451.31995	74.2
452.32379	12.1
453.33508	46.5
454.33685	1.4
469.26486	1.9
469.33078	36.0
470.33292	4.3
471.28537	1.5
471.34616	18.5
472.35065	1.4
486.35492	3.0
488.37112	1.9
546.37836	98.6
547.38159	15.5
548.39319	100.0
549.39355	3.9
861.28717	1.0
1076.63025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
58.77279	0.6
65.03930	10.3
65.67169	0.6
67.05501	2.4
69.35551	7.2
79.05484	16.0
79.36022	0.6
80.05014	0.9
91.05469	100.0
92.05790	2.3
92.06296	3.2
93.05789	1.0
95.04971	2.5
98.20764	1.4
105.07014	38.3
106.04162	1.2
106.07336	1.3
107.04945	6.5
107.08578	65.2
107.47674	0.5
108.04496	0.8
108.08112	2.9
108.08831	1.1
109.06499	23.7
115.02857	0.6
119.06050	9.9
122.11496	0.6
124.05190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
56.21251	0.7
56.60035	0.6
63.19446	0.5
65.03934	10.9
67.05506	3.9
69.92531	3.5
70.16083	0.5
79.05084	0.7
79.05481	21.9
91.05469	100.0
92.05791	2.1
92.06268	2.4
93.05786	1.2
95.04973	3.1
98.20806	0.9
105.07017	38.1
106.04105	0.8
106.07325	1.0
107.04945	6.7
107.08581	65.9
108.04485	0.7
108.08101	2.9
108.08863	1.6
109.06500	21.8
119.06043	8.6
124.05125	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0857
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
55.01880	0.8
65.03932	9.3
67.05493	1.7
70.60674	2.1
79.05054	1.0
79.05489	13.8
91.05472	100.0
92.05788	2.0
92.06294	2.9
95.04949	1.3
103.70125	0.6
105.07021	36.5
106.04230	1.2
106.07356	1.0
107.04932	1.9
107.08582	58.2
108.08910	2.6
109.06502	22.5
119.06055	9.7
124.05198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03939	2.0
55.01865	0.7
65.03931	10.4
66.03688	0.5
66.04257	0.4
67.05495	3.2
71.62050	0.6
71.62443	0.7
79.05482	26.5
80.05813	0.7
91.05470	100.0
92.05769	3.0
92.06266	1.9
93.05807	1.0
95.04966	3.4
99.98990	0.5
103.05482	0.6
105.04513	0.6
105.07021	36.6
105.30728	0.5
106.04179	0.9
106.07356	0.8
107.04945	11.3
107.08580	61.5
108.04444	0.6
108.08101	4.3
108.08898	1.7
109.06503	26.1
119.06057	9.2
124.05173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.6
52.63490	0.5
53.03943	2.8
60.04249	0.7
60.04525	9.3
62.03730	0.5
64.95547	1.1
65.03922	1.1
69.89617	3.4
77.03911	0.6
79.05490	63.9
79.31954	0.5
80.05827	1.2
83.52347	0.7
84.01546	0.8
88.03970	0.8
88.07623	0.7
89.64725	0.6
91.05472	8.9
92.52865	0.6
95.04965	4.9
96.04502	0.8
98.20776	0.8
105.07029	3.4
106.06553	100.0
107.04952	30.7
107.05692	0.8
107.06097	0.9
107.06889	2.2
107.08590	4.7
109.06525	2.3
119.06069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.5978
Annotation	Unknow
Peak:m/z	Relative Intensity
93.07065	0.3
95.08616	0.3
128.97772	0.2
207.09195	0.4
230.92969	0.2
373.14441	0.2
375.15790	0.4
386.97104	0.3
388.16830	0.3
389.17664	1.5
390.18155	0.7
391.19305	0.9
401.17886	0.4
402.18713	0.6
403.14673	0.4
403.19434	2.4
404.20010	1.3
405.20715	1.6
416.15997	0.6
417.16232	3.4
417.21164	1.4
418.17728	0.9
418.22214	0.5
419.17645	0.3
419.22430	3.8
420.22952	1.0
430.17456	0.4
431.18246	6.0
431.24139	0.4
432.18872	1.7
433.20135	3.3
434.20715	0.3
443.18677	0.3
444.19611	0.3
445.20032	3.9
446.20947	5.0
447.21625	5.7
448.22519	0.3
459.17792	1.1
459.22711	0.7
460.18860	0.8
461.19382	1.4
463.20956	0.5
473.19794	1.1
474.20227	2.8
475.21014	3.0
477.23093	0.3
478.23688	0.5
487.21667	1.2
490.24060	0.4
491.19949	2.2
501.22739	0.8
503.21436	0.3
505.22397	0.4
506.23627	0.6
519.23956	13.9
520.24194	0.8
529.22150	0.5
547.23315	17.3
548.23950	0.7
551.26355	0.4
561.24713	0.4
575.23486	0.3
579.25934	9.5
589.24084	0.4
607.25421	100.0
608.25635	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	1064.7375
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03928	1.4
79.05478	13.9
81.07040	48.2
83.04974	1.4
83.08595	6.8
85.06528	9.4
85.10158	0.9
86.09689	2.3
91.05461	16.7
91.06001	1.4
93.07025	39.7
95.04953	5.9
95.08587	73.8
96.08915	1.0
97.06506	7.2
97.10149	5.0
99.08054	1.9
103.05389	1.1
105.07008	58.6
107.08574	50.8
107.09155	1.0
109.06513	3.4
109.10134	58.0
111.08063	4.2
111.11702	2.1
113.06043	1.2
113.09618	17.4
115.05396	2.0
116.06145	0.9
117.06976	11.3
119.08559	49.6
121.06486	3.4
121.10117	41.1
123.08055	3.4
123.11691	17.0
125.00023	1.3
125.09582	6.5
127.11180	2.0
128.06198	3.3
129.06984	11.9
130.07744	1.6
131.08540	40.3
132.09320	3.5
133.10104	56.0
134.10683	1.1
135.08049	2.8
135.11662	28.1
135.12688	1.7
137.13264	5.2
141.06996	2.8
142.07768	5.8
143.08531	29.2
144.09305	2.7
145.10097	56.9
146.10855	1.6
147.08026	3.4
147.11659	49.9
149.05995	1.6
149.09566	4.7
149.13231	25.0
151.11168	1.3
151.14815	1.8
155.08517	10.4
156.09302	3.2
157.10098	40.2
158.10803	3.6
159.08012	1.7
159.11665	59.1
160.12204	1.6
161.09598	4.7
161.13226	33.1
162.13641	1.3
163.03886	0.9
163.11162	5.7
163.14789	11.2
165.12679	1.5
167.08551	1.9
168.09369	0.9
169.10081	11.4
170.10844	2.6
171.11655	28.8
172.12352	1.8
173.09544	2.7
173.13229	34.6
175.11179	5.6
175.14790	18.6
177.09044	1.6
177.12704	3.4
177.16344	7.9
179.14299	1.5
181.10089	4.5
182.10843	1.3
183.11659	8.6
184.07275	5.1
185.09576	3.2
185.13231	25.3
186.13750	1.1
187.11247	4.4
187.14795	34.1
188.15236	0.8
189.09076	0.8
189.12737	4.7
189.16336	23.2
190.29993	1.0
191.10626	4.1
191.14281	2.5
191.17908	7.8
193.12178	1.7
193.15807	1.4
195.10133	1.4
195.11653	4.2
195.17355	0.8
196.12347	1.1
197.13251	8.0
199.11111	2.9
199.14775	22.1
199.16537	1.3
201.09175	1.7
201.12729	4.2
201.16327	22.3
203.10645	2.5
203.14339	6.7
203.17920	12.3
205.12207	3.9
205.15846	7.1
205.19492	2.5
207.11786	1.0
207.13786	2.3
207.17390	6.5
209.11623	2.3
209.13327	4.6
211.14769	7.6
213.12718	2.6
213.16342	8.2
215.10747	1.7
215.14389	4.9
215.17915	10.4
217.12250	6.5
217.15843	4.5
217.19395	5.2
219.13773	2.4
219.17403	6.4
219.20949	1.4
221.18875	1.2
223.14787	2.8
225.12663	1.6
225.16286	5.0
227.14238	3.3
227.17958	4.4
229.12212	1.2
229.15858	2.3
229.19492	4.7
231.13765	13.6
231.17366	1.8
231.21036	3.0
233.15303	7.1
233.18921	4.4
235.13112	1.3
237.16331	3.0
239.17809	4.8
241.15950	1.1
241.19421	2.3
243.13789	3.0
243.17308	1.2
243.20943	1.9
245.15337	7.8
245.18907	1.3
245.22690	1.5
247.16934	2.1
249.14684	1.8
251.17856	2.6
253.19508	3.5
255.13918	1.0
255.21021	1.2
257.15280	2.1
259.17026	0.9
263.16431	3.0
265.19464	2.3
267.20978	2.3
269.15372	1.4
269.22437	1.4
271.17102	1.5
271.20471	1.6
275.16226	1.3
279.20999	4.0
281.22507	2.0
283.24149	1.3
293.22571	1.3
295.20700	1.4
295.24118	1.2
297.18643	1.8
297.22006	1.4
299.19986	0.9
299.23416	1.7
305.22266	1.0
307.20374	1.0
307.24060	1.5
309.22327	1.1
311.23538	1.0
315.19876	1.4
319.24088	1.0
323.23654	1.1
325.21582	1.7
325.25052	1.5
327.22998	1.8
329.21484	1.0
343.22662	3.8
347.27240	1.6
353.24667	2.0
365.28439	2.5
367.26318	1.2
371.25732	1.6
375.30228	3.2
379.26193	2.0
383.25793	1.2
389.31924	6.5
391.33423	1.0
393.31464	39.1
394.31628	1.1
395.33127	4.0
397.27341	2.9
403.29868	3.1
407.33038	24.4
408.33392	1.0
411.32498	40.5
412.32666	1.5
417.31009	1.8
421.30957	23.0
425.34158	12.9
435.32529	47.2
436.32709	1.6
439.31989	56.8
440.32150	4.3
453.33572	56.8
454.34113	2.0
457.33060	53.2
458.33231	2.3
471.34595	6.9
474.35693	3.5
488.37164	3.3
534.37817	100.0
535.38239	5.6
548.39386	97.1
549.39801	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	104.1072
Annotation	Choline
Peak:m/z	Relative Intensity
54.39332	0.2
55.17229	0.2
58.06590	3.1
59.07369	1.1
60.08155	31.0
61.08493	0.2
69.03422	0.2
70.63200	0.2
70.63536	0.4
87.04456	0.6
94.24988	0.2
104.10729	100.0
105.11068	1.9
109.42159	0.2
117.00655	0.2
119.27348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.6
51.02371	5.2
53.00289	0.6
53.03939	53.8
54.04274	0.7
55.01853	2.5
55.42398	0.6
69.34866	3.8
69.35292	2.6
70.13773	0.6
74.59111	0.6
76.80025	0.5
77.03918	8.7
79.05478	6.7
81.03404	5.1
95.04954	100.0
96.05267	1.1
98.20685	1.0
99.94954	0.7
101.17784	0.5
103.05444	4.0
105.03378	83.9
105.04460	23.1
105.07008	23.2
106.03705	2.1
118.06531	1.5
118.48086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0701
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02361	0.6
53.03941	7.8
59.19769	0.6
60.04513	0.8
65.03922	1.8
65.76865	0.6
68.79035	0.6
69.59553	4.7
77.03918	1.6
79.05482	33.2
79.53470	0.5
80.05815	0.7
81.03416	0.7
95.04955	13.2
103.04776	1.1
103.05458	19.1
105.03371	2.2
105.04520	2.9
105.07018	100.0
106.06554	1.4
106.07343	3.3
122.68908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.7226
Annotation	Unknow
Peak:m/z	Relative Intensity
74.84302	0.4
77.03890	0.5
79.05478	6.1
80.79978	0.4
81.03347	0.8
81.07044	16.0
82.54309	0.3
83.04931	0.8
83.08598	2.3
85.02823	0.7
85.06530	5.8
86.09667	0.4
91.05456	7.6
93.07027	14.7
95.04877	1.8
95.08588	32.2
96.08871	0.6
97.06503	2.3
97.10086	1.7
99.08017	1.3
105.07011	20.8
106.07306	0.5
107.04889	0.9
107.08572	17.3
109.06425	1.2
109.10136	14.0
111.08063	2.2
111.66061	0.3
113.09622	13.1
115.05373	0.7
117.06995	5.1
119.08559	18.3
121.06408	1.3
121.10124	14.1
121.11415	0.4
123.07983	1.4
123.11688	5.9
125.09574	0.7
128.06169	1.3
129.06982	4.9
130.07750	0.8
131.08545	14.7
132.09315	1.0
133.10104	26.0
134.10849	0.4
135.07988	1.0
135.11670	8.2
137.09557	0.8
137.13213	2.0
141.06915	1.3
142.07758	2.3
143.07515	0.6
143.08543	10.2
144.09215	0.9
145.10097	24.0
146.99258	0.4
147.08000	2.6
147.11662	18.8
149.09618	2.3
149.13222	11.7
151.14758	0.4
155.08531	2.9
156.09268	0.9
157.10103	19.6
157.55772	0.5
159.07970	0.9
159.11665	18.8
160.12172	0.6
161.09668	2.0
161.13228	12.9
163.11154	3.2
163.14807	4.3
163.50943	0.4
167.08424	0.9
169.10107	3.5
171.10240	0.7
171.11656	11.9
173.09505	1.4
173.11884	0.7
173.13220	10.6
175.11185	2.8
175.14807	10.2
177.08998	0.5
177.12668	1.4
177.15131	0.4
177.16345	3.7
179.10640	0.5
179.14204	0.5
181.10088	0.9
183.11688	4.0
184.07219	1.3
185.09555	1.6
185.13219	10.2
186.13631	0.5
187.11058	1.6
187.14787	15.1
188.15068	0.7
189.12695	3.1
189.16359	9.7
191.10558	1.6
191.14236	1.4
191.17952	2.0
193.12181	0.9
193.15852	2.5
195.10033	0.7
195.11600	1.0
197.13246	3.9
199.11122	1.4
199.14781	9.0
201.12660	1.3
201.16333	5.3
203.10596	1.5
203.14314	2.6
203.18056	2.0
205.12152	0.8
205.15826	3.8
207.13672	0.7
207.17383	6.2
209.11536	0.8
209.13226	1.0
211.11026	0.5
211.14833	2.6
213.12651	1.6
213.16290	2.2
215.14377	2.8
215.17844	2.9
217.12300	1.9
217.15799	2.9
217.19402	1.0
219.13728	1.5
219.17429	4.3
221.18803	0.8
223.14772	1.1
225.16344	1.9
227.14214	1.4
227.17928	1.3
229.14252	1.2
229.16162	0.6
229.19357	1.3
231.13751	5.7
231.17268	0.8
231.21036	1.9
233.15373	3.9
233.18918	3.9
235.13080	0.7
237.16562	0.6
239.17877	1.8
241.15945	0.5
243.21011	0.6
245.15363	3.8
247.16963	0.9
247.20412	1.4
249.14709	1.1
251.18024	0.6
253.15791	0.8
253.19449	1.2
257.18860	0.6
263.16333	1.6
265.19458	0.8
265.59906	0.4
267.21021	0.7
269.17285	0.4
271.20520	1.0
275.20178	0.4
279.20947	1.0
281.22592	1.0
283.20673	0.6
285.21945	1.1
291.21048	0.4
297.22232	0.5
299.23541	0.8
301.16348	0.6
305.22452	0.7
309.22089	0.5
311.20151	0.5
311.23651	0.5
313.21689	0.7
317.21234	0.6
327.23093	0.8
339.27185	0.5
345.24207	0.6
349.23627	0.8
363.26932	0.8
365.28342	2.5
375.30405	3.0
377.32028	0.6
381.27841	0.5
385.28754	0.6
393.31448	32.6
394.31671	1.7
395.33078	3.9
403.29984	2.6
411.32523	39.1
412.32693	2.5
413.34195	0.5
421.30927	20.8
422.31509	1.4
423.27319	1.6
439.32010	58.6
440.32516	2.6
457.33069	52.3
458.33383	2.6
474.35675	3.8
523.20044	0.4
534.37823	100.0
535.11505	0.5
535.37988	6.5
593.36548	1.3
735.06287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Choline
Peak:m/z	Relative Intensity
55.01868	0.4
58.06589	3.9
59.07366	1.0
60.08156	31.2
61.08485	0.4
61.90762	0.3
64.01880	1.1
71.22644	0.7
74.06079	0.5
78.04702	0.6
79.05470	0.4
86.06072	0.7
86.09686	0.4
87.04449	1.1
104.04998	0.3
104.10730	100.0
105.04492	1.4
105.07018	0.5
105.11056	1.4
121.89754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36867	0.2
56.81425	0.2
58.06595	2.6
59.07375	0.7
60.08159	30.5
60.95838	0.3
61.08474	0.2
62.34151	0.2
69.99182	0.8
69.99591	0.4
78.52939	0.4
82.01437	0.2
87.04469	0.4
91.79196	0.2
96.05283	0.2
100.02482	0.9
102.02281	0.3
104.05826	1.5
104.10735	100.0
105.11067	1.2
118.03491	0.5
119.01888	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02913	4.3
74.09673	0.8
77.03914	1.8
79.05479	82.7
80.05791	0.9
81.03056	0.6
81.03402	24.3
81.07042	100.0
82.07358	1.1
83.04964	17.5
83.08604	21.0
84.69339	0.8
85.02889	15.6
85.06524	5.7
86.09686	2.3
87.04470	1.7
89.03857	0.9
91.03957	4.0
91.05464	81.5
92.05759	0.9
93.07026	81.9
95.01331	2.0
95.04347	1.7
95.04952	28.2
95.08591	61.9
96.04478	0.9
97.02871	15.2
97.06512	30.9
97.10152	18.9
98.21521	1.9
99.04438	3.3
99.08066	4.1
103.05472	3.0
105.04513	2.4
105.07011	70.2
106.07320	1.2
107.04935	18.9
107.08575	52.9
108.10669	0.8
109.02866	5.9
109.06512	13.1
109.10136	48.7
110.36099	0.8
111.04450	3.5
111.08058	9.8
113.05968	1.5
113.09634	3.9
115.03927	1.1
115.05423	4.7
116.04729	1.1
116.06191	1.4
117.06995	31.1
119.04937	2.5
119.08562	50.4
120.08925	0.8
121.06496	9.3
121.10119	26.1
123.04459	2.3
123.08047	9.5
123.11687	6.7
124.99990	1.7
125.09608	21.1
127.03897	7.7
127.07528	0.8
128.06201	3.7
129.05522	4.6
129.06995	13.3
130.07756	2.8
131.04932	2.3
131.08546	37.6
133.06464	5.3
133.10104	41.1
134.07291	0.9
135.04402	1.8
135.08012	10.3
135.11665	23.6
137.05945	1.6
137.09595	21.4
137.13281	0.9
139.03819	1.0
139.07506	1.6
139.11160	1.8
141.06978	6.3
142.07767	3.4
143.08536	13.7
143.10672	1.0
144.05630	0.9
145.04968	2.2
145.06480	3.8
145.10098	34.3
147.08035	5.3
147.11661	22.2
149.05930	1.0
149.09590	41.0
149.13220	14.3
151.11143	6.8
153.09076	3.6
153.12749	1.3
155.08553	5.3
155.10640	2.0
156.09297	1.4
157.10117	8.2
158.10698	1.1
159.08069	3.1
159.10405	1.7
159.11676	25.5
160.11972	0.9
161.09624	4.4
161.13217	11.3
163.11159	19.0
163.14795	1.7
165.09085	3.2
165.12769	1.8
166.07726	1.0
167.08528	1.9
167.10687	2.0
168.09399	0.9
169.10065	8.0
171.10162	2.5
171.11678	9.7
173.04431	4.4
173.09619	2.5
173.11728	11.1
173.13249	10.8
175.11179	5.3
175.14787	2.0
177.09134	1.0
177.12738	7.8
179.08659	1.3
179.10681	1.5
179.14276	6.6
180.25043	0.9
181.10120	2.5
181.12202	2.2
183.11687	6.4
184.07352	7.5
185.09656	1.1
185.13185	5.9
187.11171	4.6
187.13228	0.9
187.14804	2.7
189.11237	11.8
189.12788	2.4
191.10858	0.9
191.14258	1.2
193.10069	1.7
193.12180	2.7
193.15833	1.1
195.11681	2.8
195.13786	6.4
197.09561	0.9
197.13274	6.1
199.11200	1.2
199.13216	1.9
199.14819	2.7
201.12787	3.2
201.16414	1.1
203.10788	1.2
203.14288	1.3
205.12186	2.5
207.11740	1.2
207.13716	1.1
209.13249	1.3
211.13220	2.9
211.14842	2.9
213.12747	1.6
213.16435	2.1
215.14359	1.6
215.17937	1.8
217.15994	1.8
219.13852	0.9
221.13242	1.1
221.15402	0.9
223.13292	2.7
227.12724	20.0
227.17906	1.8
229.14249	20.5
229.19351	4.1
231.13826	1.4
231.17445	1.1
233.15344	1.9
237.16444	1.2
239.17992	4.3
241.10835	1.1
241.14230	1.0
243.15901	3.2
245.13872	2.7
245.18875	1.3
247.13348	0.9
247.17014	1.0
247.18237	0.9
247.20448	5.2
253.14270	2.0
253.18015	3.5
255.15700	9.4
257.18961	14.1
259.20654	1.3
263.19992	1.8
267.15897	5.2
269.17429	18.1
273.18478	7.9
275.20020	62.9
279.15915	1.2
282.22226	1.0
285.17010	1.8
285.22388	1.0
287.20084	1.0
291.19440	14.7
293.20932	4.6
299.20224	1.0
303.15768	0.9
303.23001	1.1
313.21713	2.2
321.24243	2.4
323.18585	1.2
329.21161	1.3
331.22699	4.7
347.21909	1.8
349.23682	69.9
350.23795	1.4
351.21646	1.4
365.23209	8.8
367.24786	3.2
373.18546	2.2
379.13284	1.0
383.24155	3.2
389.18149	1.2
393.26776	1.3
399.23941	1.8
405.26416	2.3
407.28107	1.2
409.25708	7.9
413.21545	1.7
419.24298	1.9
423.27408	18.0
425.25314	0.8
431.27759	1.1
433.30237	1.3
437.29431	0.9
445.29453	3.3
447.31647	1.3
449.29016	2.3
461.28671	1.5
463.30307	2.0
485.32385	1.8
503.33670	20.0
511.34549	1.6
517.35278	3.0
519.33179	1.8
521.34760	1.8
525.35742	2.7
527.37286	4.6
529.35364	8.8
543.28253	1.5
543.36676	30.2
544.36932	1.8
547.36371	2.4
559.36212	4.2
561.37445	3.4
567.31390	2.1
605.41827	1.4
623.33063	1.7
623.42987	25.7
639.42181	2.9
641.44061	7.2
647.37659	1.0
657.43512	1.7
705.42365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5876
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02886	5.4
76.11929	1.7
79.05478	82.7
80.05820	2.0
81.03407	25.4
81.07045	100.0
82.07333	2.3
83.04965	18.5
83.08606	20.8
85.02896	23.9
85.06521	6.3
87.04443	1.9
91.03971	8.8
91.05465	97.8
92.05791	2.0
93.07027	80.1
94.07350	2.3
95.04952	30.3
95.08592	56.9
97.02859	17.2
97.06521	24.1
97.10150	11.0
99.04446	6.3
99.08096	4.6
103.05482	4.9
104.10744	2.8
105.04490	4.2
105.07011	77.0
107.04923	14.5
107.08569	49.3
109.02868	5.7
109.06508	8.2
109.10132	34.5
111.04382	3.6
111.08048	11.0
113.09649	3.5
115.05457	3.4
116.06233	2.6
116.16351	2.1
117.06991	31.6
119.04945	1.9
119.08557	56.8
121.06509	9.8
121.10115	26.2
123.08031	10.6
123.11690	10.7
124.99977	4.7
125.09591	12.2
127.03899	10.2
127.07536	1.8
128.06187	7.0
129.05438	5.8
129.06976	19.4
131.08545	42.1
133.06535	3.1
133.10121	45.2
134.10504	3.5
135.08063	9.3
135.11662	23.2
137.09604	12.3
139.03786	1.8
139.11143	4.6
141.06952	5.2
142.07730	3.2
143.08517	15.3
144.52803	1.8
145.04933	7.5
145.06422	3.9
145.10097	33.4
147.08038	4.4
147.11655	31.3
149.09592	26.3
149.13234	14.5
151.11163	8.3
153.09073	3.9
155.08517	8.3
155.10588	2.0
157.10088	19.3
159.11639	23.6
161.09583	6.9
161.13231	14.6
163.06018	2.3
163.11136	15.5
163.14784	3.8
165.12830	2.3
167.08516	4.5
169.10123	10.8
171.08018	2.3
171.10193	3.2
171.11624	18.1
173.04369	3.8
173.09573	3.8
173.11758	5.5
173.13254	11.4
175.11194	6.5
175.14767	6.7
177.12721	4.2
179.08499	3.3
179.14305	4.4
181.10147	5.3
181.12122	3.5
183.11691	5.3
184.07335	15.2
185.13196	11.1
187.14839	3.2
189.11179	4.7
189.12741	4.2
191.10625	2.3
193.10103	2.1
193.12190	4.2
195.11757	4.4
195.13765	6.1
197.13210	7.1
199.11296	1.8
199.13173	2.3
199.14780	5.9
201.12686	2.4
201.16425	3.0
209.13214	4.7
211.14850	4.4
213.12883	2.0
213.16562	2.0
223.13116	3.6
225.16328	3.0
227.12740	7.0
229.14192	10.6
233.15430	2.5
237.13844	1.8
237.16298	3.9
241.19502	8.4
243.15913	5.6
247.20540	3.1
251.17946	2.0
253.14250	6.4
253.17911	3.2
254.14670	2.3
255.15811	5.8
257.18906	9.4
259.20569	18.9
264.58539	2.4
267.16022	3.6
269.17404	18.9
273.18549	5.8
274.18832	2.4
275.20065	31.8
285.16824	3.8
291.19525	8.6
292.19763	2.2
293.21008	4.5
313.21475	2.3
315.22980	3.6
331.22552	4.0
333.24170	16.8
334.24594	2.4
335.25739	3.4
349.23737	26.8
350.24030	2.4
365.23145	7.4
419.28592	2.6
423.27570	4.1
447.31192	3.5
449.28714	4.4
487.34055	4.0
495.34518	2.7
501.35474	5.7
513.35712	25.9
515.37482	3.4
525.35541	2.9
527.36865	6.1
543.36603	15.0
544.36786	3.0
607.34619	2.5
607.43402	10.8
623.42432	4.1
625.44373	12.4
641.43579	2.7
1035.48584	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	1033.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02896	0.8
77.03898	0.6
79.01846	0.4
79.05482	3.6
81.03400	21.1
81.07039	12.5
83.01324	1.3
83.04944	1.2
85.02886	14.1
91.05462	5.9
93.03358	0.7
93.07025	4.4
95.04951	6.1
95.08583	6.5
97.02868	5.4
98.20770	1.1
99.04432	3.2
99.04977	0.5
103.03899	1.3
103.05439	0.8
105.03355	1.2
105.07012	1.3
107.04926	4.8
107.08574	3.1
109.02858	18.4
109.06476	3.0
109.10135	49.8
110.10473	0.5
111.00755	1.4
111.04417	2.0
115.05419	0.7
117.06999	0.7
119.04928	6.8
119.08554	3.3
121.02814	3.9
121.06477	4.0
121.10100	1.2
122.80777	0.4
123.04428	4.0
125.02328	2.9
125.05954	2.0
127.03889	14.9
127.07553	0.5
129.01805	2.1
131.04906	0.7
135.04349	1.4
135.07994	1.8
135.40326	0.4
137.02258	0.6
137.09587	100.0
138.09886	1.3
139.03883	1.0
141.05408	0.8
145.06400	0.8
145.34883	0.4
145.36171	0.6
147.04378	33.1
147.08003	1.1
149.02313	1.6
151.03912	3.6
153.01794	81.3
154.02158	0.8
155.10640	5.9
156.10999	0.5
159.04388	1.3
161.05927	0.9
163.03848	2.9
165.01852	4.6
165.09081	79.5
166.09473	0.6
167.03349	1.5
167.07097	0.6
169.04927	0.5
171.02853	85.1
172.03200	1.1
173.05923	0.9
175.03877	1.3
177.01797	10.1
177.05460	0.8
179.03377	3.0
181.04886	0.5
183.02870	5.8
183.10120	6.4
185.05978	0.5
187.03911	3.1
187.07535	0.5
189.01790	3.5
189.05389	1.7
191.03352	9.5
191.06885	0.5
193.01321	0.9
193.04884	1.4
195.02850	71.0
197.00745	1.7
199.03894	0.6
201.01765	1.2
201.05449	0.6
201.11185	10.9
203.03381	2.0
205.01306	0.6
205.04863	2.1
207.02837	5.0
209.04427	1.4
211.05934	0.6
213.03864	2.4
215.01454	0.6
215.03368	9.1
216.03790	0.5
217.01289	3.0
217.04909	1.5
219.00681	0.9
219.02831	17.1
221.04379	1.0
223.02409	0.5
225.03760	0.6
225.11235	3.1
227.03435	0.6
227.07004	0.7
229.04910	1.5
231.02852	3.0
231.06525	1.5
233.04396	4.8
235.02316	0.9
235.05974	0.8
237.03802	4.3
241.04947	1.3
243.02821	9.8
243.12291	0.9
245.04395	1.8
247.05908	0.6
249.03868	1.8
253.04688	0.5
255.02795	1.0
255.06494	0.9
257.04410	2.2
259.02368	0.8
261.03894	27.7
262.04410	0.6
267.02841	1.2
267.12372	3.2
273.07513	71.3
274.07806	0.9
275.05383	0.5
279.04861	3.5
281.04297	0.8
283.05829	0.6
285.03867	6.9
285.07483	3.0
285.13202	3.9
287.01709	0.6
287.05264	0.5
291.04935	0.7
291.12170	1.7
295.05972	1.0
297.07532	13.9
298.07587	0.6
299.05374	1.8
303.04935	8.2
309.04095	1.0
309.07578	2.6
309.13239	9.1
311.05484	0.5
311.08865	0.6
313.06793	1.0
315.08560	39.9
316.09131	1.1
321.05954	1.0
323.05280	1.0
327.05017	3.1
327.14319	17.3
335.08987	0.8
337.06815	0.9
339.08585	16.4
340.09131	0.5
341.06439	0.7
345.06100	0.8
345.15298	0.8
351.04770	2.2
351.08627	1.2
351.14240	0.8
357.09662	2.8
363.04218	0.9
363.08560	15.3
364.08789	0.8
365.10156	1.0
369.05933	3.9
369.15405	3.0
375.08398	0.9
377.10016	0.7
381.09622	29.2
382.09790	0.7
387.07938	2.2
387.16388	1.1
393.09476	1.8
393.15057	0.9
399.10690	4.0
405.09604	9.3
411.11566	0.5
411.16180	2.4
417.11133	0.8
423.10635	6.9
429.09671	1.6
429.17395	4.5
435.16370	1.1
441.11450	1.2
442.11252	0.5
443.12286	0.6
447.10669	4.2
447.16534	0.7
453.17505	5.0
459.11127	0.6
461.14157	2.1
471.10574	3.1
471.18423	6.7
485.14014	1.4
489.11600	4.8
503.15237	1.5
507.12561	1.3
525.13745	1.0
527.15649	0.6
533.14362	0.6
551.15686	0.8
563.19360	2.1
569.16479	4.5
581.19818	1.6
587.17719	4.7
593.19434	0.6
605.18622	4.7
623.19800	1.5
671.21234	3.3
689.22394	6.3
707.23035	5.3
725.23688	1.8
943.76044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51659	1.4
52.77529	0.3
55.01871	0.3
55.05497	0.4
56.05021	0.3
56.96556	0.4
58.01470	1.7
58.06572	0.3
58.99871	1.2
59.01529	0.3
59.06130	0.4
59.19566	0.3
59.52176	1.5
60.04526	0.8
60.95847	1.0
60.99610	0.3
62.02444	1.4
64.02197	0.3
65.52208	0.3
68.52721	0.8
71.02983	30.1
71.53064	3.8
71.60731	0.5
71.61104	0.4
72.02858	2.6
76.02510	0.9
77.00899	0.6
78.52967	3.0
80.03504	50.8
80.52710	0.6
80.53255	4.3
80.53600	4.8
81.01501	0.4
81.03378	8.5
81.53522	0.4
82.01442	22.6
82.05318	0.7
82.53767	2.4
83.01485	2.3
83.03848	0.4
83.04986	0.5
83.51560	0.3
83.53631	0.4
84.01183	2.0
86.06098	0.4
87.04339	0.3
87.53485	1.0
88.04144	0.3
89.03477	0.7
89.04012	5.1
89.51527	0.3
89.53246	0.4
89.54136	0.6
90.03892	0.3
91.53738	0.7
91.54283	5.3
92.03483	1.3
92.04362	1.0
92.52704	0.5
92.53609	0.4
92.54111	0.4
98.04513	0.3
100.02480	100.0
100.54819	1.0
101.00869	3.7
101.02557	12.1
102.02238	10.6
102.02891	0.7
103.00645	0.9
103.02555	0.9
115.01178	0.4
117.04021	0.5
118.03516	55.1
119.01917	24.3
119.03619	7.0
120.02028	2.8
120.03249	6.1
120.04023	0.6
121.01658	4.3
121.02431	0.4
121.03548	0.6
123.04058	3.6
124.02442	0.6
124.04168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01345	1.1
71.04973	4.7
71.07368	1.3
71.22665	2.5
73.02895	3.0
77.03914	2.1
79.05483	72.4
81.03411	18.5
81.07046	100.0
82.07378	1.6
83.04967	16.7
83.08611	21.9
85.02896	11.4
85.06525	7.2
86.09698	5.3
87.04478	1.2
89.27257	1.1
91.03938	3.8
91.05466	69.2
92.05754	1.2
93.07029	84.5
95.04957	20.3
95.08593	45.6
95.09211	1.3
97.02879	11.5
97.06519	21.2
97.10156	14.8
97.84328	1.0
99.04427	3.4
99.08082	4.6
103.05460	4.0
105.04503	3.8
105.06286	1.4
105.07015	53.8
107.04938	13.4
107.08579	54.3
109.02846	3.9
109.06486	9.6
109.10144	21.4
109.85757	0.9
110.01432	1.0
111.04438	1.4
111.08058	9.2
113.05963	1.9
113.09642	1.8
115.05431	2.7
117.06202	1.6
117.07008	25.4
119.04895	1.4
119.08560	42.7
120.09968	1.0
121.06495	16.0
121.10126	27.1
123.04452	2.4
123.08057	8.8
123.11704	5.6
124.99954	2.2
125.09601	9.7
127.03917	6.9
128.06184	2.8
129.05461	2.5
129.06978	12.4
130.07808	2.3
131.04906	1.5
131.08556	32.9
133.06477	3.6
133.10110	37.7
134.10501	1.3
135.08037	8.2
135.11670	25.4
137.05984	1.2
137.09589	5.8
137.13216	1.5
139.07487	1.5
139.11220	1.8
141.06973	3.9
142.07761	1.3
143.08549	9.5
145.06511	1.9
145.10103	25.9
147.08002	3.8
147.11665	19.1
149.08511	2.0
149.09604	19.0
149.13234	21.6
151.11162	4.3
153.06905	1.3
153.09195	2.4
153.12712	1.3
154.07703	1.5
155.08528	6.4
157.10103	9.5
159.08049	2.5
159.11671	24.0
161.09557	2.6
161.13237	8.7
163.05975	1.1
163.11177	13.5
163.14754	2.1
165.12634	1.7
167.08528	1.3
169.10098	6.9
171.10309	2.2
171.11673	7.4
173.04492	4.4
173.09558	2.2
173.13202	10.1
175.11185	3.3
175.14851	2.7
177.12766	8.9
179.08508	1.2
179.10504	1.2
179.14293	4.5
179.75136	1.2
181.10120	2.7
181.12294	2.6
183.08002	1.1
183.11668	5.9
184.07298	11.2
185.09642	1.7
185.13214	4.9
187.11154	2.5
187.14790	2.1
189.11191	4.5
189.12721	2.4
191.14270	2.4
193.12238	1.2
195.11833	2.0
195.13782	9.3
197.13239	5.5
199.14832	1.8
201.12697	1.4
201.16431	1.3
205.12137	1.3
209.13379	1.3
211.14819	1.6
213.14667	2.1
213.16501	2.5
215.17970	1.6
215.22838	1.3
218.12631	1.0
227.10559	1.5
227.12688	13.9
229.14221	2.7
229.19531	3.3
233.18861	1.2
239.17923	3.9
245.13795	1.7
245.19061	1.5
247.20485	3.2
253.14342	3.7
253.17914	1.5
255.15799	15.9
257.18976	12.3
267.15851	5.3
269.17435	51.9
270.17767	2.0
271.20142	1.2
273.18527	1.7
275.20023	52.0
287.20047	1.3
291.19626	1.2
293.20999	3.8
297.22095	1.2
321.24185	1.3
331.22607	4.8
349.23709	51.0
350.23999	2.0
365.23056	1.2
367.24881	9.7
413.21716	3.7
423.27283	2.4
425.25598	1.7
431.27859	2.4
433.30682	3.8
435.27631	2.9
439.26877	3.6
445.29419	4.7
449.28915	27.4
451.31848	2.1
463.30511	46.9
464.30759	3.1
469.33069	2.7
479.30032	1.2
485.32309	1.4
487.30093	1.3
493.28024	1.7
503.33624	3.4
511.34592	2.2
515.37189	3.0
518.82037	1.3
519.32874	2.6
525.35858	8.6
529.35400	14.4
536.03760	1.2
543.36743	92.5
544.36749	2.7
547.36139	3.4
561.37708	13.1
583.31000	2.1
593.33051	2.3
607.34637	7.0
623.42969	16.8
641.43842	11.0
651.38416	2.6
659.45111	1.9
669.40680	1.5
687.40833	5.4
705.41614	4.5
1011.46973	1.2
1018.56525	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5933
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01364	1.6
71.04984	7.1
71.07395	1.4
71.08625	1.9
73.02917	2.8
77.03955	1.9
79.05484	76.2
81.03411	19.3
81.07047	100.0
83.04976	17.5
83.08607	24.1
85.02901	13.7
85.06544	6.7
86.09705	3.8
89.09663	1.1
91.03950	4.8
91.05470	75.4
93.07033	81.0
95.01311	1.7
95.04962	19.4
95.08599	48.2
97.02882	11.2
97.06528	21.8
97.10155	20.0
99.04435	4.0
99.08068	4.9
102.60098	1.4
103.05454	4.6
105.04501	2.0
105.07019	64.0
107.04949	16.9
107.08582	56.6
108.08959	1.6
109.02883	3.8
109.06501	12.8
109.10144	21.7
111.04433	3.5
111.08056	7.8
113.09686	2.3
114.53127	1.3
115.05427	2.4
116.06214	1.4
117.06999	28.6
118.85925	1.5
119.08566	44.9
120.05687	1.3
121.06490	30.0
121.10127	26.7
123.04394	2.6
123.08062	6.8
123.11662	5.9
125.00023	2.3
125.09620	14.6
127.03911	7.7
128.06203	4.6
129.05481	2.8
129.06996	13.1
130.07797	2.1
131.04930	3.2
131.08557	36.4
133.06471	3.8
133.10109	37.7
135.04436	2.0
135.08038	9.2
135.11658	24.6
137.09628	4.5
137.38312	1.2
139.11182	2.0
141.06990	4.5
143.08549	11.7
144.09357	2.0
145.04976	2.2
145.06458	3.1
145.10100	36.3
147.08057	3.1
147.11679	17.8
149.09584	23.3
149.13231	17.3
151.11154	5.9
153.09131	1.8
155.08563	6.9
157.10109	9.1
159.08018	2.2
159.11668	28.3
161.09616	3.9
161.13228	9.1
163.11174	16.0
165.06987	1.7
165.09146	2.3
165.12706	2.4
167.08562	2.1
168.09270	1.3
169.10062	8.8
171.10321	1.9
171.11630	8.4
173.04459	5.0
173.05930	2.4
173.09689	2.3
173.11841	2.3
173.13199	10.5
175.11192	3.4
175.14859	1.6
177.12772	5.3
179.10686	1.5
179.14311	4.7
181.10040	2.9
181.12216	1.4
183.11662	8.6
184.07306	10.1
185.13213	5.5
187.11255	3.8
187.14819	3.2
189.11191	8.9
189.12714	2.9
191.14334	1.6
192.10109	1.4
193.10132	1.8
195.11870	1.5
195.13806	6.3
197.13176	6.0
199.11165	2.0
199.13222	1.4
199.14857	3.0
201.12668	1.5
203.14290	1.5
211.14751	2.9
213.14726	3.1
215.14345	1.7
217.15834	1.9
219.13760	1.5
223.15015	2.1
227.12724	22.5
229.14233	3.1
229.19470	4.3
233.15323	2.0
235.16806	2.6
239.17967	6.6
245.13795	2.1
247.16998	1.6
247.20529	3.2
253.14134	1.8
253.17929	1.9
255.15797	13.5
257.18964	16.8
259.20392	1.4
261.18539	1.4
267.15912	4.7
269.17450	47.4
273.18503	2.4
273.21790	1.4
275.20041	63.2
276.20444	2.4
277.21671	1.4
279.15875	1.5
285.22263	1.5
291.19434	2.2
293.17920	2.1
293.20868	7.1
313.21558	2.4
321.24146	2.4
331.22650	5.9
339.22870	1.6
349.23682	61.6
350.23999	3.1
367.24750	7.5
371.17029	1.4
397.22141	1.9
413.21469	3.6
413.26614	1.8
419.24200	2.2
423.27316	2.5
431.27924	2.1
433.30411	2.6
435.27359	3.4
439.26828	2.2
445.29474	4.0
449.28964	25.5
451.32178	2.0
463.30536	32.3
464.30209	1.8
469.33063	1.6
493.27545	1.7
503.33481	4.5
513.35815	2.2
515.37585	2.2
519.33154	4.2
525.35583	9.2
527.37726	1.7
529.35333	18.5
543.36743	82.2
544.37134	5.0
547.36243	4.5
559.36444	1.8
561.37897	12.9
565.30042	1.7
583.38898	1.7
593.32770	2.1
595.43433	1.7
605.41779	3.2
607.34589	4.1
623.42938	25.6
632.44714	3.4
641.44275	12.6
642.44232	1.5
663.37592	1.9
676.47449	2.2
687.40808	5.6
705.41943	4.1
785.47778	2.0
856.52856	2.7
1018.56903	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	1018.5926
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	2.0
71.04977	8.1
71.08601	2.1
73.02914	4.2
77.03902	2.7
78.89540	1.5
79.05479	85.3
80.05835	1.5
81.03401	18.1
81.07044	100.0
82.07388	2.4
83.04967	15.3
83.08604	21.8
85.02890	19.4
85.06518	7.2
86.09689	4.1
91.03945	4.9
91.05466	89.0
91.29890	1.3
92.05806	1.7
93.07029	94.2
94.07355	1.6
95.04946	22.6
95.08591	59.2
96.08939	2.6
97.02873	14.4
97.06506	21.9
97.10138	13.3
99.04451	3.7
99.08066	4.5
103.05486	3.4
105.04538	1.5
105.07014	89.6
106.07340	2.7
107.04939	14.5
107.08578	55.9
108.08897	1.4
109.02883	3.9
109.06512	10.3
109.09441	2.9
109.10139	37.9
110.10439	2.1
111.04459	2.6
111.08064	8.6
113.06039	1.9
113.09641	3.2
115.05437	6.5
117.07004	34.4
119.08559	61.1
120.08868	2.3
121.06500	9.3
121.10122	36.7
123.08066	12.5
123.11693	8.1
124.99949	2.2
125.05981	2.0
125.09628	11.7
127.03911	10.3
127.07523	2.0
128.06221	5.7
129.05472	3.0
129.06984	21.5
130.07799	2.1
131.08546	42.0
132.08949	1.7
133.06488	4.7
133.09097	2.9
133.10106	57.0
134.10460	3.4
135.08035	9.9
135.11682	20.2
137.05998	2.2
137.09590	7.5
139.07503	2.4
139.11166	3.1
141.07004	5.8
142.07774	2.3
143.08540	23.2
145.04900	2.9
145.06490	3.3
145.10095	39.9
147.08003	3.5
147.11668	36.6
149.09590	16.6
149.13234	16.2
151.11157	6.8
153.09082	2.3
155.08537	10.9
155.10629	2.7
157.06464	1.7
157.10123	24.2
157.11311	2.6
159.08041	3.2
159.11661	32.4
159.12967	1.9
161.09628	4.8
161.13220	15.3
163.11143	10.7
163.14824	2.2
165.06876	2.1
165.09035	2.8
166.07857	1.7
167.08560	6.3
169.10077	16.8
171.10231	2.3
171.11624	22.5
172.12262	1.7
173.04445	4.2
173.09653	3.1
173.11740	3.9
173.13243	15.1
175.11180	4.5
175.14746	5.0
177.12730	6.6
179.08540	2.5
179.14243	4.1
181.10051	7.0
183.11664	15.8
184.07288	11.6
185.13214	13.9
187.11171	3.5
187.14706	8.4
189.11195	6.5
189.12741	3.1
191.14290	2.0
193.10056	2.2
193.12207	1.8
195.11697	5.5
195.13829	5.4
197.13254	9.5
199.11064	2.9
199.13214	1.8
199.14786	8.8
201.12549	1.9
201.16328	3.4
203.14343	2.5
205.15750	2.2
207.11649	2.3
209.13217	5.6
211.14799	4.7
213.12650	2.2
213.16405	4.1
217.15915	2.0
219.13768	1.7
221.13220	2.7
223.14801	4.0
225.16447	2.1
227.12721	11.6
227.18010	2.8
229.14220	9.8
229.19534	4.1
231.17328	1.5
231.21156	1.6
233.15416	2.1
235.14845	2.9
237.16507	2.6
239.17982	5.6
241.19524	8.6
247.20691	2.9
251.17870	1.9
253.14124	8.0
254.14516	2.2
255.15773	5.0
257.18979	14.6
259.20535	22.7
265.19534	1.8
267.16006	2.4
269.14819	2.5
269.17419	25.4
273.18445	5.4
275.16882	1.9
275.20004	41.1
283.20523	2.3
289.18106	1.3
289.21768	1.9
291.19571	6.3
293.20694	2.8
297.22156	3.0
309.16785	1.5
309.20502	1.5
313.21860	1.7
315.23111	4.3
323.23532	1.9
327.22925	1.6
331.22580	4.4
333.24249	25.1
335.26157	7.9
337.25150	1.9
343.10794	1.5
347.22449	2.1
349.23679	29.6
350.23648	1.6
353.37787	1.6
365.23459	5.0
366.23386	2.1
367.25192	1.4
381.22678	2.4
403.29849	2.1
421.30890	3.8
431.27606	2.6
435.32486	2.8
439.32288	2.6
449.29144	3.4
451.32324	2.0
463.30429	7.7
487.34128	3.4
489.35605	2.4
495.34872	2.4
503.33655	3.2
511.35068	1.8
513.35675	31.6
515.37994	5.2
525.35510	4.1
527.37299	19.0
529.35297	2.1
531.36438	1.8
537.35382	2.0
543.36859	20.3
545.38257	3.6
559.36310	4.2
560.36438	4.5
561.37183	4.3
607.43628	28.0
623.42694	7.6
625.44519	30.7
640.42682	2.7
641.43927	7.9
652.12067	1.6
659.44397	2.7
689.41760	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75401	1.9
70.75777	1.9
71.01340	1.3
71.04993	6.3
71.08642	1.0
73.02899	5.4
77.03941	1.6
79.05478	79.4
80.05811	1.1
81.03407	14.7
81.07043	100.0
82.07359	1.0
83.04974	10.3
83.08605	16.9
85.02891	18.6
85.06540	5.7
87.04497	1.1
91.03947	7.2
91.04881	2.4
91.05466	72.4
93.07025	85.7
94.07362	1.4
95.04959	20.3
95.08591	71.5
96.04459	1.3
97.02877	15.4
97.06514	15.4
97.10150	9.1
99.04428	3.2
99.08073	3.2
101.02358	0.9
103.05469	1.8
105.04487	3.0
105.07015	51.0
107.04933	9.6
107.08574	46.6
109.02876	2.5
109.06501	7.5
109.10139	35.3
111.04419	1.6
111.08076	6.5
113.09641	1.0
115.05437	3.3
116.06251	1.3
117.07003	18.0
119.08565	39.7
120.05728	0.9
120.23151	1.0
121.06494	6.0
121.10117	33.6
123.08031	9.2
123.11671	8.9
125.05917	0.9
125.09574	6.2
126.41885	0.8
127.03899	6.5
128.06203	2.6
129.05458	3.5
129.06999	9.4
130.07820	2.1
131.08556	29.5
133.06454	2.8
133.10109	32.6
134.10413	1.1
135.08054	5.8
135.11668	26.0
137.09601	11.0
137.13203	1.9
139.11157	2.3
141.06975	3.0
141.09154	1.5
142.07782	1.9
143.08551	7.4
144.09273	1.1
145.04948	2.9
145.06493	1.7
145.10098	21.6
147.08015	2.5
147.11665	16.9
149.09598	15.0
149.13231	12.2
151.11142	4.4
155.08553	2.9
155.10654	1.8
157.10098	6.1
159.11652	17.2
161.09569	2.2
161.13231	10.6
163.05974	1.9
163.11143	9.2
163.14793	4.1
165.09015	1.5
165.12752	1.7
167.08485	1.3
169.10115	4.8
171.10303	1.8
171.11641	5.6
173.04454	3.9
173.11719	4.8
173.13251	9.0
175.11169	2.3
175.14810	3.7
177.12698	3.3
179.10654	1.3
179.14320	3.5
181.10034	1.6
181.12236	1.9
183.11638	3.8
185.13220	3.9
187.11192	1.9
187.13261	1.9
187.14757	4.8
189.11185	2.6
189.12697	1.4
191.14333	1.1
193.12238	2.3
195.11913	1.1
195.13776	2.7
197.13249	1.9
199.14848	1.5
201.12846	1.0
201.16272	1.5
205.15884	1.3
209.13326	1.0
211.13235	2.3
213.16377	2.1
215.14386	1.5
227.12785	3.8
229.14290	8.2
229.19431	1.4
231.17258	1.2
233.15321	1.8
235.17053	1.1
239.18011	1.9
241.19388	1.5
243.15932	5.4
243.21017	4.3
247.20517	1.9
253.14223	1.7
255.15828	6.8
257.18945	5.7
259.20508	3.2
261.22052	15.0
261.24725	0.9
263.20108	1.1
267.12814	0.8
267.15973	3.5
269.17490	3.5
273.18488	5.7
275.20029	25.8
277.21655	2.1
285.16949	3.0
285.22235	1.2
291.19485	7.4
293.21146	4.7
315.23248	1.2
317.24609	4.0
321.24442	1.2
331.22720	1.7
335.25748	88.0
336.25949	3.1
337.27426	1.2
347.22116	1.1
349.23663	41.1
350.24002	1.6
351.25357	2.2
365.19186	1.4
365.22995	6.6
373.18607	1.2
383.24347	1.4
423.32507	1.3
431.31491	3.1
445.33054	1.2
484.18124	1.0
489.28839	1.8
489.35681	31.5
490.35840	2.2
503.37277	16.7
504.37247	1.0
513.39374	4.2
515.37280	13.8
517.40228	1.2
519.37378	1.3
527.37323	1.9
529.38916	9.4
531.36603	2.3
543.39728	1.0
545.38031	2.8
557.37866	1.5
585.40436	1.3
609.45038	46.6
610.44965	2.7
625.44275	3.7
627.46021	14.2
643.45288	1.9
707.51221	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	5.8
71.63039	2.4
73.02910	4.1
77.03913	2.7
78.54317	1.0
79.05479	72.6
81.03404	11.5
81.07043	95.7
83.04964	9.5
83.08611	13.2
85.02892	17.2
85.06533	4.9
91.03938	8.4
91.05466	58.8
93.07031	87.3
94.07333	1.5
94.74737	1.1
95.04958	16.0
95.08591	73.8
97.02882	13.1
97.06508	17.0
97.10141	8.7
99.04429	2.4
99.08089	3.2
101.05988	1.3
103.05450	2.2
105.04480	1.2
105.07016	49.1
106.07330	1.3
107.04931	9.8
107.08578	47.1
108.08869	1.3
109.02901	2.4
109.06509	7.4
109.10137	44.5
111.04416	2.8
111.08051	6.7
111.11659	1.0
113.09609	1.4
115.05440	1.9
115.07556	1.5
117.07001	17.6
119.04939	1.3
119.08559	40.6
120.05713	1.0
121.06453	4.9
121.10118	36.1
121.33720	1.0
123.08058	4.7
123.11657	7.6
125.09630	8.6
127.03883	6.0
128.06154	1.7
129.05458	1.9
129.07010	6.7
130.07764	1.8
131.08539	28.7
133.06490	1.8
133.10106	29.7
135.08022	5.7
135.11676	21.1
137.09627	13.3
137.13235	2.3
139.11151	2.4
141.06908	2.2
142.07809	1.3
143.08559	7.0
144.06509	1.1
145.04927	3.9
145.06439	1.1
145.10092	24.7
147.08049	2.7
147.11673	20.8
149.09598	18.2
149.13214	8.4
151.11182	4.7
153.09142	1.2
155.08502	2.3
155.10632	1.7
157.10094	6.7
159.11658	20.6
161.09593	3.5
161.13249	8.5
163.05981	2.8
163.11166	7.9
163.14810	3.5
165.09122	2.4
165.12695	2.1
169.10110	4.1
171.10280	2.5
171.11678	7.2
173.04338	1.8
173.09531	1.0
173.11714	8.9
173.13249	12.1
175.11159	3.1
175.14772	3.4
177.12737	3.4
177.16287	1.2
179.14281	2.6
181.10118	1.2
183.11688	3.9
184.07208	1.3
185.13260	4.7
187.11098	1.7
187.14867	5.8
189.11166	4.3
189.12695	1.8
191.14224	1.7
193.12135	1.7
195.13777	1.4
197.13246	3.1
199.14830	2.5
201.16318	2.2
201.51039	1.1
209.13243	1.7
211.14946	1.6
213.16385	2.2
215.17850	1.2
219.17418	1.8
223.13156	1.7
225.16309	1.2
226.68501	1.2
227.12708	7.8
227.17706	1.3
229.14278	10.6
229.19434	2.0
239.18010	2.1
243.21118	4.2
247.20605	3.3
257.19009	6.2
259.20602	4.4
261.22061	12.8
267.15894	2.7
269.17474	2.1
273.18463	3.6
275.20023	35.9
276.20181	1.3
277.21625	2.4
291.19479	7.3
291.22443	1.2
293.20929	5.0
299.23581	1.7
315.22919	1.4
317.24710	3.9
326.41492	1.1
331.22595	2.4
333.24078	3.9
335.25754	100.0
336.26099	2.1
337.27328	1.8
349.23685	47.6
350.23868	1.4
351.25223	3.2
363.25476	1.3
365.23199	5.2
367.24655	2.2
373.18640	2.3
383.24152	1.7
423.32605	2.5
431.31592	5.7
489.35706	47.3
490.36121	2.4
503.37228	5.9
505.34830	2.4
513.39441	8.2
515.37347	9.4
517.39758	1.6
527.36987	1.5
529.38849	7.4
535.41718	1.7
541.39166	1.4
545.37921	5.3
557.38922	1.7
585.41199	3.4
591.44080	1.5
609.45044	85.9
610.45538	6.0
625.44208	4.1
627.36597	1.6
627.46155	20.4
643.45258	1.7
728.31830	1.3
764.79694	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	54.6
71.18627	40.9
78.95943	59.5
83.80764	27.0
87.00869	27.3
92.28738	25.2
101.02444	34.8
106.35603	27.3
116.92876	38.7
121.02934	35.7
125.02448	100.0
137.02444	63.4
179.03316	32.7
194.66066	32.8
207.10286	34.8
209.11873	78.6
225.11459	33.1
289.07266	33.1
309.20462	47.4
352.51260	32.1
370.68246	32.7
397.13412	46.0
484.76584	29.4
501.31955	42.8
503.33554	63.8
504.34375	31.2
997.46210	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	998.5723
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20605	100.0
133.02301	36.3
142.37695	32.8
277.21494	44.8
382.65033	35.5
498.86163	37.1
615.29065	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63545	1.1
71.01356	0.4
71.51077	0.2
76.28605	0.1
83.01401	0.3
85.02977	0.2
97.68911	0.2
98.20628	0.3
101.02438	0.2
107.01422	0.8
108.02179	1.2
109.02960	0.3
121.02969	0.5
122.03777	0.2
122.89609	0.1
123.00896	0.1
125.02475	0.5
135.00862	0.4
137.02417	0.3
138.02835	0.1
145.02983	0.2
148.01677	1.0
149.02478	0.3
150.03267	0.9
151.00381	4.0
151.01587	0.3
151.04007	0.2
152.01151	0.2
153.01968	0.2
155.10820	0.2
161.02478	0.2
163.00386	0.7
163.04005	0.2
164.01157	0.4
165.05580	0.5
166.05855	0.2
169.01405	0.3
175.04015	0.2
178.99869	3.9
180.00281	0.2
187.04068	0.3
187.07518	0.2
191.05545	0.4
192.00624	0.2
195.06662	0.2
198.03108	0.2
199.03995	0.5
203.03537	0.2
215.03476	0.3
216.04333	0.4
226.02715	1.0
227.03517	1.7
229.01460	0.2
243.02966	7.4
243.89738	0.2
244.03397	0.7
245.04398	0.2
254.02176	2.0
255.02966	19.9
256.03333	1.7
271.02444	46.3
272.02856	4.2
283.02533	0.4
297.03680	0.2
299.02023	1.1
300.02731	94.3
301.03244	11.8
302.03857	0.6
325.03418	0.4
355.04300	0.2
415.06406	0.3
433.07684	4.0
433.13632	0.3
434.08087	0.3
565.12012	100.0
566.12390	13.0
567.11749	0.2
613.22968	0.2
614.23364	0.6
615.23633	0.6
737.70264	0.2
777.29553	0.4
964.88422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	3.5
70.15069	1.0
70.15465	0.8
71.01388	4.4
71.05015	0.5
72.99297	0.6
73.02934	0.9
75.00887	0.4
77.03973	1.3
78.95909	1.0
81.03457	8.2
83.01390	18.0
83.04995	0.5
85.02969	1.3
87.00877	0.7
88.98800	0.8
89.02454	1.7
91.05530	0.7
93.03465	5.4
95.01379	2.6
95.05033	4.3
97.02961	7.7
99.04533	4.3
101.02468	3.2
102.97784	0.4
107.05046	2.5
108.02206	1.4
108.92946	0.4
109.02966	10.2
109.32722	0.4
111.04534	0.8
112.92664	0.4
113.02472	1.9
113.06110	0.6
119.05009	0.7
120.02161	0.9
121.02984	8.4
122.03758	2.8
123.00912	1.0
123.04529	3.2
124.01693	2.4
125.02460	88.7
126.02780	2.8
130.04285	0.8
131.05000	0.6
133.02971	2.1
135.04536	5.0
137.02458	78.3
138.02753	3.4
139.04030	2.6
143.05069	0.5
145.03009	0.6
145.06607	0.7
146.03746	25.3
147.04559	2.8
147.08095	0.4
148.01695	0.6
148.65593	0.4
149.02478	2.5
149.03500	0.4
149.06093	1.0
150.03218	1.7
151.04010	5.2
152.99474	0.5
154.92905	0.4
156.05753	0.7
158.03745	1.1
159.04532	11.2
160.05313	4.5
161.02446	2.0
161.04517	0.9
161.06061	2.4
162.03215	1.6
163.00395	1.3
163.04053	0.8
164.01167	18.1
165.01942	48.5
166.02313	1.7
167.03506	24.3
168.03859	0.8
171.04449	0.5
172.05310	7.7
173.06105	4.5
174.03223	12.4
174.06883	3.3
175.04005	4.1
176.04779	2.8
177.01961	8.0
177.05460	0.5
178.02267	0.5
179.03503	14.7
180.03842	0.5
181.05090	1.1
183.04509	1.0
184.05264	0.6
185.06136	2.9
186.06851	2.5
187.04039	5.1
187.07558	0.8
188.04799	9.1
188.08434	0.6
189.05559	2.8
190.02777	1.1
190.06306	0.5
191.03477	1.7
191.54816	0.4
196.05284	1.2
197.06078	1.4
198.06865	1.3
199.03990	1.0
199.07611	1.6
199.11356	0.5
200.04785	7.7
200.08394	1.2
201.05565	6.0
202.06308	1.6
203.03392	0.7
204.04277	5.8
209.06088	2.3
209.11809	0.5
210.06822	2.4
211.04010	2.7
211.07617	1.5
211.13399	1.8
212.04794	6.5
213.05507	2.0
213.09204	1.1
214.06354	1.3
215.07228	0.5
215.10768	0.6
217.05066	0.7
217.12277	0.8
218.05913	0.8
222.06912	0.7
223.07564	1.2
224.04767	1.6
224.08322	1.0
225.05577	4.9
225.09106	0.7
225.12857	1.0
226.06339	3.7
227.03555	0.5
227.07118	2.1
227.14555	0.5
228.04355	0.6
228.07928	1.3
230.05675	0.5
234.06802	0.5
235.07866	0.8
236.04761	0.6
236.08519	0.6
237.05527	2.6
237.09221	0.6
238.06268	1.1
239.07091	1.9
240.07790	0.7
241.12389	1.4
243.06596	0.8
243.13840	1.9
244.07452	1.5
251.07100	3.2
251.10730	0.7
252.07895	4.5
253.05034	0.7
253.08939	0.4
253.12321	1.7
254.05833	0.6
255.06731	0.7
255.13863	3.6
265.08664	1.4
266.09293	0.5
267.10126	0.8
267.13834	0.9
268.07388	3.8
268.10181	0.5
269.08096	1.6
269.11798	6.8
269.15250	0.9
270.05222	0.8
270.08939	3.5
270.12488	1.6
271.13370	34.6
272.13687	4.1
276.07980	0.7
277.21719	21.7
278.05829	1.0
278.21994	2.5
281.08252	0.6
281.11795	1.2
281.15494	0.5
283.13370	4.2
285.15024	3.6
286.15424	0.6
287.05658	1.2
287.12854	1.3
288.06400	2.0
289.14471	7.1
290.14825	1.0
293.08194	0.7
294.08917	6.1
295.09671	0.5
295.13306	2.5
297.11584	0.8
297.14859	3.7
298.15158	0.6
299.12930	9.7
299.16232	0.8
300.13470	1.5
301.14447	3.6
307.13443	0.9
307.19315	0.7
308.14157	0.7
309.14923	2.7
311.12918	1.1
312.13553	0.9
313.14435	19.1
314.14719	2.2
315.15894	3.2
317.13788	3.6
320.06857	1.2
325.14444	14.4
325.17365	0.4
326.14749	1.8
327.16092	0.8
329.14136	0.6
331.15549	2.2
333.14716	1.1
335.16602	3.4
336.16638	0.6
337.14462	9.1
338.14871	1.1
341.13718	0.6
343.15506	6.2
344.15811	0.9
349.18173	1.0
351.15948	2.5
351.19666	0.6
353.13666	0.8
353.17389	2.2
355.15417	2.3
359.16556	0.7
369.16962	1.3
373.18149	0.7
377.17639	5.6
378.17966	0.8
379.15436	2.5
380.15829	0.6
391.14923	0.7
391.19067	1.6
392.19186	0.6
393.17001	3.7
394.17679	0.5
395.18723	5.3
396.18893	1.1
397.16635	0.6
401.17456	1.3
411.18134	0.8
413.19525	0.8
419.18643	15.8
420.19061	2.7
421.16626	0.6
427.03503	0.5
437.19699	8.1
438.20038	1.6
445.16531	1.8
463.17664	6.4
464.18045	1.0
481.18927	1.6
549.22894	0.6
553.22931	0.9
567.24438	2.0
579.24652	1.0
591.24664	0.9
655.27161	0.7
673.28937	3.4
674.29407	1.1
691.28839	0.7
699.27448	1.1
710.50787	0.5
717.27588	2.8
718.27997	0.5
730.21381	0.5
735.27972	0.5
785.45630	0.6
797.44409	1.0
813.44647	1.0
825.44354	0.5
827.45941	18.4
828.46338	6.2
839.46118	12.1
840.46545	4.0
851.46082	8.7
852.46326	2.8
857.47150	9.8
858.47534	3.1
869.47778	1.5
870.47015	0.7
891.49115	0.6
893.47565	1.6
909.50037	1.4
911.46576	0.6
933.50317	16.9
934.50415	5.8
951.49194	4.4
952.50488	1.4
959.48401	4.7
960.48584	2.3
977.49371	100.0
978.49628	40.9
988.18213	0.6
995.50385	81.1
996.50677	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	995.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	3.8
71.01385	4.8
73.02951	0.8
75.00898	0.6
77.03977	1.5
78.95937	1.2
80.02692	0.7
81.03462	8.2
83.01391	19.8
83.01877	1.1
83.05026	0.9
85.02962	1.6
87.00893	0.9
88.98834	0.5
89.02470	2.0
91.05540	0.8
93.03458	5.2
93.58992	0.4
95.01394	2.5
95.05038	4.1
97.02969	6.7
99.04530	5.8
101.02462	2.7
107.05032	2.1
108.02156	1.4
109.02965	10.6
109.03687	0.8
111.00883	0.9
111.04549	0.7
113.02464	1.7
113.06071	0.9
116.92899	0.6
119.05087	0.5
120.02196	1.2
121.02979	7.8
122.03783	3.6
123.00911	0.9
123.04543	4.0
124.01688	2.4
125.02460	93.7
126.02804	3.1
130.04286	0.9
131.05078	0.9
131.15472	0.6
133.02989	1.7
135.04544	5.3
137.02458	85.3
138.02913	2.3
139.04010	2.2
143.05087	0.7
145.02968	0.6
146.03754	30.2
147.04590	3.3
148.01582	0.6
149.02449	3.2
149.06114	1.3
150.03214	1.7
151.04039	6.0
152.99596	0.7
154.02637	0.8
158.03757	1.5
159.04529	13.7
160.05318	5.5
161.02452	2.4
161.04698	0.8
161.06105	3.0
162.03285	1.0
163.00392	2.3
163.04028	0.8
164.00105	0.3
164.01167	21.2
165.01947	49.1
166.02296	2.3
167.03511	28.6
168.03835	1.8
172.05315	7.6
173.02658	0.6
173.06059	5.0
174.03232	14.2
174.06793	4.1
175.03966	4.7
176.04825	2.9
177.01959	8.8
178.02216	0.7
179.03496	16.1
180.03911	1.4
181.05174	1.3
183.04489	0.9
184.05226	0.9
185.06059	2.5
186.06862	2.9
187.04030	5.7
187.07654	1.1
188.04782	9.5
189.05522	2.9
190.02707	1.0
190.06339	0.5
191.03542	1.5
196.05276	1.1
197.06079	2.0
198.03188	0.6
198.06822	0.7
199.04030	0.9
199.07645	2.1
200.04791	6.8
200.08510	0.9
201.05571	5.4
201.09224	0.5
202.06328	2.2
204.04243	5.9
209.06119	2.3
210.06824	1.8
211.04063	2.5
211.07686	1.2
211.13434	1.4
212.04790	7.4
212.08270	0.7
213.05466	1.9
214.06299	1.3
215.07036	0.8
217.12309	0.5
218.05780	0.8
222.06920	1.3
223.07680	2.1
224.04778	1.7
224.08287	0.8
225.05597	6.1
225.12871	1.3
226.06325	3.8
227.07159	1.9
227.10768	0.9
228.04362	0.7
228.07983	1.0
230.05852	0.7
235.07658	0.8
236.04796	1.1
237.05573	2.0
237.09189	0.8
238.06367	0.8
239.07123	2.0
240.07988	0.7
241.08704	0.6
241.12354	1.4
243.13843	2.1
244.07445	1.3
245.15608	0.7
250.06274	1.0
251.07147	4.3
252.07928	4.4
253.05049	0.6
253.08794	0.8
253.12263	1.4
254.05748	0.8
255.13914	3.8
257.15552	0.7
265.08572	1.4
266.09384	0.6
267.06668	0.7
267.94580	0.6
268.07388	3.5
269.08401	1.1
269.11850	7.1
269.15335	1.3
270.08966	4.4
270.12466	2.3
271.13370	38.6
272.13754	3.4
276.07999	0.8
277.21722	16.8
278.05814	1.2
278.22162	2.2
281.11847	1.7
281.15482	0.7
283.10468	0.8
283.13416	4.8
285.14975	6.1
287.05740	1.0
287.12918	1.9
288.06177	2.4
289.14447	11.9
290.14856	1.1
292.07446	0.9
293.08124	1.0
293.21265	0.7
294.08893	6.4
295.09894	0.9
295.13425	4.1
297.14871	4.8
298.15503	0.7
299.12903	10.6
299.16302	0.9
300.13385	1.5
301.14413	4.2
302.14670	0.6
303.16025	0.9
307.13446	0.9
309.15051	3.1
311.13025	0.9
311.16351	0.6
312.13449	0.7
313.14432	23.9
314.14688	2.9
315.15976	3.8
317.13965	4.7
318.14249	0.8
320.06955	1.8
323.16531	0.8
325.14453	15.4
326.14706	1.5
327.16071	1.4
331.15585	3.6
332.16107	0.7
335.13052	0.8
335.16586	4.4
337.14474	11.0
338.14835	1.5
339.16144	0.5
343.15530	6.5
344.16132	1.1
349.18158	1.0
351.16010	2.2
353.13992	0.7
353.17603	2.7
355.15433	3.7
356.15939	0.6
369.16928	1.1
371.18427	0.8
375.15652	0.6
375.20090	0.6
377.17557	6.0
378.18112	1.0
379.15515	3.2
380.15796	0.7
391.14911	0.8
391.19241	1.6
393.16940	3.4
395.18762	5.3
397.16562	1.0
401.17496	2.4
411.18060	1.2
413.19818	1.6
419.18655	15.0
420.18927	2.7
437.19745	10.3
438.20062	2.0
445.16556	1.5
455.20688	1.0
463.17584	6.2
481.18732	1.8
525.23297	1.0
545.44049	0.5
553.23370	0.6
567.24408	5.5
568.24664	1.0
579.24622	0.8
591.24371	1.7
597.25525	1.3
606.10126	0.5
673.28723	6.2
674.29224	1.7
679.10126	0.6
699.26892	1.8
700.28113	0.7
701.75653	0.5
717.28082	4.2
718.28790	1.2
735.28998	1.0
785.45068	1.0
797.45465	1.2
811.46796	1.1
812.47217	0.6
813.44733	1.2
827.46118	23.9
828.46356	9.8
839.46173	14.5
839.61243	1.0
840.46497	4.5
851.46350	8.3
852.46936	3.5
856.47290	0.6
857.47333	13.0
858.47644	3.9
869.47137	1.4
893.47546	1.9
894.47821	0.7
909.50317	1.7
933.50299	16.8
934.50256	6.9
934.65985	0.7
942.49176	0.5
951.49426	3.6
952.50684	1.8
959.48248	6.4
960.48254	3.3
977.49377	100.0
978.49622	49.1
995.50415	86.1
996.50659	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	989.6752
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01420	0.1
71.05035	0.2
73.03003	0.1
78.95967	0.1
81.07117	0.0
83.05025	0.7
83.23574	0.0
85.06621	0.1
101.02541	0.0
103.78382	0.0
107.05108	0.0
109.06578	0.2
135.08191	0.0
153.52274	0.0
192.11800	0.0
209.11888	0.1
244.61009	0.0
257.19153	0.0
301.18106	0.1
355.26840	0.1
356.33493	0.1
357.27939	0.1
365.28522	0.2
381.27777	0.1
389.28470	0.2
391.30026	0.4
392.30353	0.1
393.27960	0.1
395.29419	0.1
396.30389	0.1
397.31219	0.1
406.28714	0.1
407.29355	0.3
408.29944	0.1
409.31195	0.7
410.31479	0.2
411.28979	0.1
421.08374	0.1
421.31262	0.2
423.32828	0.6
424.33072	0.1
425.29956	0.3
425.35510	0.1
427.28342	0.2
427.32983	0.1
441.33765	0.3
442.34253	0.1
443.35315	0.2
453.30234	0.2
468.31982	0.1
469.33221	7.0
470.33615	1.3
471.30792	0.3
472.31030	0.1
485.32809	0.1
486.32880	0.1
487.34235	100.0
488.34573	19.1
489.34860	0.2
501.32272	2.7
502.32697	0.6
513.28479	0.1
547.36224	0.1
548.36633	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.6545
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44165	0.5
69.44595	0.2
71.01447	0.1
73.02951	0.7
88.98830	0.1
98.29787	0.1
119.01488	0.1
125.58289	0.1
141.28574	0.1
142.08609	0.1
158.44588	0.1
184.92455	0.1
195.13943	0.2
195.42931	0.1
209.11769	0.1
246.99911	0.1
287.20273	0.1
299.20425	0.1
300.21335	0.1
313.21814	0.3
327.23349	0.3
341.24939	0.2
343.23096	0.1
343.26459	1.8
344.26755	0.3
355.22748	0.1
355.26428	2.0
356.26837	0.2
356.66104	0.1
363.26996	0.1
365.24808	0.3
367.22836	0.1
369.24393	1.7
370.24786	0.2
379.26495	0.2
381.28027	6.3
382.28409	0.9
395.25900	0.5
397.27487	4.0
398.27856	0.5
399.29053	2.7
400.29480	0.4
407.25928	0.2
415.28644	0.2
425.26962	6.2
426.27332	1.0
441.29700	0.1
443.28021	49.4
444.28369	8.5
444.34781	0.2
457.29758	0.1
461.29285	0.2
485.33176	0.1
487.34296	1.7
488.34753	0.4
503.30090	100.0
504.30444	18.8
505.30569	0.2
613.27112	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	987.6596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33644	1.4
69.34055	0.3
70.74090	0.2
71.01387	0.6
72.99320	0.2
73.50818	0.2
75.14005	0.2
75.49647	0.2
78.95920	0.4
83.05013	0.3
86.20375	0.2
87.00903	0.2
87.03210	0.2
87.04507	0.3
89.02421	0.3
90.09819	0.2
96.97003	0.2
98.19850	0.4
109.02946	0.2
109.06657	0.2
116.92886	0.5
117.03146	0.2
123.04555	0.3
125.02452	0.6
137.02429	0.3
151.04073	0.2
162.66615	0.2
165.01936	0.2
171.10193	0.3
193.05389	0.2
197.11812	0.2
209.11739	0.4
225.11324	0.3
289.49496	0.2
291.19809	0.2
323.23602	0.2
342.83963	0.2
397.13464	0.2
405.27911	0.3
407.29440	0.4
409.27356	0.2
411.25220	0.8
421.31125	0.3
425.30652	1.3
437.30884	0.3
439.32230	10.7
440.32468	2.1
441.27182	0.2
441.33548	0.9
453.30215	1.3
454.30865	0.2
467.31531	0.6
470.29776	0.5
471.31223	44.2
472.31561	7.8
485.25464	0.2
485.32767	29.3
486.33167	6.2
487.34360	10.1
488.34821	2.0
499.30624	4.1
500.30942	4.7
501.32166	100.0
502.32535	17.9
515.30469	0.2
585.81079	0.2
924.28851	0.3
987.45624	0.4
988.45074	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.6946
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71635	0.5
71.60773	0.4
73.02939	2.0
77.80570	0.4
78.95886	0.6
88.98812	0.5
96.95998	0.6
99.92564	1.4
100.04650	0.4
116.92860	10.4
117.92860	1.0
142.49022	0.5
209.11739	0.6
268.19278	0.5
355.29962	0.6
393.31558	2.4
407.29382	0.7
409.31174	1.3
437.30542	5.4
444.82416	0.5
455.31616	41.8
456.31964	8.2
471.34811	42.1
472.35126	7.8
486.99899	0.5
506.11649	0.5
513.32373	0.6
514.32495	1.7
515.33716	100.0
516.26367	1.0
516.34064	20.0
925.27820	0.6
1002.35126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6662
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	0.2
71.62882	0.1
78.95934	0.2
79.67343	0.1
88.98813	2.0
89.02451	0.3
101.02514	0.1
103.18939	0.1
113.02451	0.1
116.92867	0.6
123.58083	0.1
125.02470	0.3
145.02975	0.1
176.18283	0.1
211.13405	0.1
253.09270	0.5
260.29199	0.1
277.21683	2.1
278.22049	0.2
289.07175	0.1
291.19601	0.1
293.21249	0.2
294.21594	0.2
309.20499	0.2
353.28885	0.1
393.31268	0.1
397.13574	0.2
426.32907	0.1
469.33301	0.2
470.33774	0.2
471.34805	100.0
472.35150	19.4
513.31622	0.2
526.76630	0.1
545.34509	0.1
712.68445	0.2
846.60553	0.1
938.63214	0.1
985.64612	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	987.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03479	0.3
71.65886	0.3
71.66271	0.4
73.29988	0.3
75.00872	0.9
81.03465	1.1
83.01403	2.5
83.60867	0.3
85.02973	0.5
89.02459	0.7
91.01937	0.3
93.03475	1.7
95.01372	0.5
97.02968	0.9
101.02471	0.5
103.68429	0.3
107.01411	1.4
109.02964	1.3
111.00873	0.4
113.02505	0.3
117.03512	0.6
119.05031	0.8
121.02977	5.9
122.03740	0.5
123.00887	0.4
123.04532	1.0
125.02460	40.8
126.02791	1.6
132.02191	0.5
133.02940	0.4
135.00906	0.7
135.04538	0.8
137.02463	7.0
141.07071	0.4
143.05043	0.6
145.02971	11.6
146.03555	0.6
147.04550	0.5
149.02473	4.6
150.03299	1.7
151.00409	1.5
151.04016	0.5
153.01939	0.6
155.10822	0.6
157.06618	3.4
158.03711	0.4
159.04535	3.2
160.04948	0.3
161.02437	0.9
161.06049	2.2
163.00409	0.9
163.03990	0.6
164.01183	0.6
165.01990	1.9
165.05545	0.7
166.02725	0.3
167.03522	0.9
167.04996	0.4
169.06633	0.6
171.04547	0.7
173.06111	0.5
175.04103	0.8
175.07668	1.2
177.01970	0.7
179.03554	0.9
181.05141	0.7
182.03751	0.4
183.04503	1.5
184.05246	0.6
185.02457	0.3
185.06110	3.9
187.04027	3.8
189.05537	0.5
191.03554	0.4
195.04933	1.1
197.06061	1.0
199.03926	0.7
199.07687	1.6
200.24512	0.3
201.05585	1.7
202.06335	0.3
203.07132	1.8
205.05139	0.4
205.63394	0.3
209.06053	0.5
211.04041	2.0
212.04773	0.5
213.05493	2.0
214.02612	0.4
215.03586	0.3
225.05559	1.3
226.02844	0.3
226.06360	0.3
227.03502	41.1
227.07143	2.5
228.03888	3.2
229.05051	7.3
239.03444	0.9
240.04182	0.7
241.05052	1.1
243.02914	0.7
243.06592	13.1
244.07068	1.2
249.05363	0.4
251.09187	0.4
253.05017	3.9
255.02969	61.9
256.03516	9.3
257.04547	3.5
259.06189	0.5
267.02911	0.6
271.06097	60.3
272.06445	4.8
283.02347	0.4
284.03256	67.1
285.04004	63.4
286.04373	5.4
287.05280	0.4
289.06772	2.0
291.06470	0.8
295.06125	0.6
307.09647	0.8
327.04965	0.8
331.09723	1.0
349.10812	1.4
357.07648	0.9
375.08704	3.0
376.08914	0.5
393.09818	31.7
394.10107	4.5
405.11826	1.6
431.09830	100.0
432.10153	12.5
433.11340	10.4
434.11810	1.6
495.18332	0.4
537.14142	0.9
555.15186	16.0
556.15637	3.0
569.12775	0.4
629.22406	1.2
791.28040	0.7
805.32056	0.4
987.37488	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	0.4
71.64850	0.2
71.65253	0.2
75.89568	0.2
78.95911	0.4
85.02972	0.2
86.38167	0.1
89.02476	0.2
96.96029	0.3
116.92860	0.2
125.02428	0.4
137.02446	0.3
149.09853	0.2
151.07669	0.2
151.52861	0.2
165.01953	0.2
171.10207	0.1
185.60957	0.1
296.27777	0.1
305.21210	0.3
397.13672	0.2
405.27908	0.5
406.28232	0.2
423.28790	0.3
439.32175	5.3
440.32565	1.0
441.33640	0.3
451.28827	0.2
469.29547	2.4
470.29794	0.5
471.31219	0.6
483.31714	0.2
484.31461	0.2
485.25449	0.2
485.32773	16.5
486.33102	3.5
499.30627	100.0
500.30957	18.0
501.32062	0.9
502.32349	0.3
714.39069	0.2
918.98523	0.2
986.43933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6443
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.5
71.55777	0.2
71.56197	0.1
78.95891	0.4
83.05017	0.2
96.96014	0.2
113.02474	0.1
119.20056	0.1
125.02441	0.2
137.02461	0.3
151.03987	0.3
177.05379	0.1
179.05714	0.1
203.43802	0.1
207.10184	0.2
209.11763	0.2
225.11290	0.3
253.94571	0.1
291.19827	0.1
293.21231	0.3
397.13568	0.2
407.29453	0.4
425.30582	0.3
435.29141	0.6
439.31949	0.3
453.30087	4.6
454.30212	0.5
455.31543	0.2
457.82529	0.1
471.31161	5.1
472.31482	0.8
483.31128	100.0
484.31476	17.5
485.31906	0.7
499.30130	0.3
501.32220	21.6
502.32553	3.8
513.28778	0.3
568.59991	0.2
785.11377	0.1
899.46564	0.2
917.47394	0.2
923.09973	0.2
950.51807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.6436
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.1
71.04984	0.1
71.63029	0.2
72.99310	7.8
73.99641	0.1
74.18646	0.1
78.95900	0.3
83.05029	0.3
85.02990	0.1
87.04520	0.1
97.02962	0.3
97.06577	0.1
116.92858	0.2
123.08161	0.5
123.08997	0.1
125.02492	0.1
137.02431	0.1
191.81453	0.1
193.12119	0.1
223.13326	0.2
243.03174	0.1
297.22287	0.2
297.48050	0.1
319.22787	0.3
323.23819	0.2
325.25458	0.1
332.14120	0.1
363.26965	0.2
365.28452	1.5
366.28784	0.3
367.30032	0.3
375.27017	0.4
377.28229	0.5
378.29373	0.1
393.27954	0.4
395.29663	0.5
409.30875	0.1
425.26947	0.5
425.34430	0.3
426.27499	0.2
427.28091	0.3
453.30353	0.2
469.33228	0.4
485.28668	0.4
485.33337	0.3
486.29141	0.4
486.33374	0.4
487.34283	47.2
488.34607	8.7
497.29037	100.0
498.29382	18.6
499.29886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.4
71.01389	18.8
71.49564	0.4
71.64677	0.5
71.65128	0.4
72.99299	2.0
73.02961	2.1
75.00877	0.4
78.95885	0.6
81.03454	0.5
81.93780	0.4
82.80895	0.4
83.01388	2.6
83.05034	0.9
85.02962	4.3
87.00884	4.3
87.02142	0.4
89.02452	15.7
93.03440	0.6
95.01392	1.5
95.05014	0.9
96.96008	0.9
97.02968	1.9
97.62870	0.4
99.00900	1.1
101.01783	0.7
101.02457	15.2
109.06579	0.5
111.00872	0.7
111.08170	7.5
113.02469	8.0
113.09763	0.7
116.92887	0.9
119.03513	5.2
125.02467	5.5
127.04051	0.5
133.05034	0.5
137.02504	0.4
143.03476	2.7
149.04581	0.6
161.04572	3.4
167.10789	1.9
171.10266	1.2
177.12904	1.9
179.05621	6.6
179.10800	1.7
179.14464	0.8
195.13921	13.4
196.14352	0.8
197.11887	0.6
199.06017	0.4
203.14401	0.5
205.12320	0.9
209.11784	0.4
211.13503	0.6
217.07249	0.5
221.06660	1.2
223.13393	6.4
225.15019	0.6
228.13687	0.8
235.08260	4.3
236.08745	0.4
247.20625	1.8
253.09279	1.3
256.13153	1.4
263.07797	0.8
265.21689	0.5
273.18506	1.0
275.20175	5.3
276.20325	0.8
277.21561	0.8
287.07779	1.2
291.19653	86.0
292.19995	8.6
293.21219	100.0
294.21567	11.1
305.08786	1.2
309.20676	1.0
323.09677	1.0
325.20230	1.1
379.12427	1.1
397.13528	31.0
398.14011	3.0
415.14594	14.4
416.14844	1.1
671.33392	0.6
689.33862	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	980.474
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	36.1
78.95919	22.5
88.98796	13.7
89.02445	17.6
121.02914	22.1
125.02453	29.1
141.31491	16.4
196.14224	16.1
207.10312	31.1
209.04437	17.8
209.11794	46.7
225.11234	18.7
291.19626	26.4
293.21240	49.4
384.73441	16.6
397.13440	22.9
487.34122	63.7
488.34457	28.4
489.35104	77.2
490.36896	100.0
491.36026	57.8
501.73682	19.8
899.48224	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	981.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	0.9
69.03440	1.1
71.01387	19.9
71.66058	1.0
72.99332	2.9
73.02945	2.3
75.00884	12.6
80.05049	1.7
83.01405	3.7
84.02073	0.6
85.02960	8.7
86.52623	0.5
87.00891	6.0
89.02457	11.4
93.03452	4.8
95.01390	2.0
97.02937	1.4
99.00887	3.4
101.02451	9.0
103.04018	0.7
104.05135	0.8
106.06627	4.3
107.01380	1.2
111.00881	1.6
113.02451	5.0
115.00401	1.4
116.92867	0.9
117.03489	0.9
119.03519	3.4
119.05044	2.0
120.08212	0.6
121.05356	0.7
122.06139	7.4
123.04524	1.3
125.02457	4.7
129.01973	6.1
132.04573	3.6
134.06139	29.1
135.04515	2.7
135.06488	1.9
137.02444	2.0
141.01973	1.2
143.03548	0.6
145.02971	2.1
148.04077	0.7
150.05603	0.8
151.00365	4.4
151.04033	1.2
152.07191	4.6
159.02971	1.9
160.01541	0.8
160.04022	1.0
160.06409	1.0
161.02446	0.8
161.04720	1.0
163.00374	0.7
164.07343	0.7
165.01930	1.3
167.03540	0.8
173.04546	2.0
174.05608	1.1
175.02496	2.6
175.03871	1.1
177.01855	1.2
177.04083	6.0
190.05092	2.3
191.05583	2.0
191.86241	0.6
192.06650	0.7
195.05116	7.6
213.10353	10.0
214.10657	0.7
223.08615	0.8
225.10320	1.9
226.10840	1.1
227.03572	0.9
227.11971	1.0
237.10393	1.2
239.11891	8.9
241.09630	0.8
241.13510	5.8
241.54832	0.8
249.10280	0.9
251.11923	2.5
255.02991	1.3
261.87341	0.5
263.08163	1.4
265.09778	2.2
267.11389	4.4
271.06180	2.2
277.09830	1.8
278.10507	1.4
279.11328	2.2
283.10883	1.0
284.03143	0.9
285.04022	2.3
285.09494	1.1
285.12457	17.4
286.12708	1.3
287.05618	1.6
289.06921	1.2
291.07693	0.7
291.11292	0.8
292.08511	1.0
293.09613	1.0
293.13028	1.8
302.41025	0.7
305.09296	1.6
307.10846	1.1
313.13382	0.8
314.12595	1.2
316.14639	1.7
327.13437	3.4
328.10876	3.1
328.14493	1.2
330.12469	0.7
337.12003	1.9
340.14337	4.5
341.11685	1.0
342.12451	2.5
343.13239	2.3
344.13992	2.7
354.12415	0.9
355.13239	1.3
356.13971	5.1
356.17722	0.9
357.14700	1.8
358.15610	6.9
359.16162	1.6
361.33725	0.7
366.12396	1.2
368.10242	2.3
368.14212	1.8
369.10800	1.2
369.15070	1.1
370.15598	3.4
372.13123	0.8
372.17267	1.5
382.11771	1.7
382.15707	1.6
383.12244	1.2
384.13382	11.5
384.17355	1.5
385.13791	3.2
393.14896	0.6
394.15723	1.3
396.13608	3.5
397.14111	2.5
398.15118	6.3
399.15637	1.1
400.16754	9.3
401.17224	1.3
410.15106	2.5
411.15927	0.6
412.16675	9.9
413.16959	2.2
426.14139	3.5
438.14493	2.5
444.15515	3.4
445.16150	1.4
449.14371	2.6
449.61432	0.9
456.15613	1.9
459.09241	2.1
491.20709	1.0
505.22385	2.2
517.17932	0.8
519.24426	1.0
545.21667	1.9
546.22327	0.7
547.23474	0.7
549.21454	0.8
563.23010	1.5
573.21515	3.1
591.22516	2.9
595.14960	0.8
707.26459	0.7
711.25903	0.7
725.28351	3.3
727.30396	1.1
743.29327	4.1
744.29730	1.2
751.26489	1.1
753.27863	9.4
754.28546	2.7
769.27319	1.2
771.29114	22.9
772.29449	6.3
773.30231	1.7
785.31635	1.6
787.28864	2.1
788.28387	1.0
801.30042	2.3
803.31763	12.7
804.31537	3.0
805.32202	2.3
819.31842	1.3
913.31360	1.1
931.32916	1.6
945.34680	6.7
946.35535	2.0
949.33990	23.5
950.34253	9.8
963.35596	8.0
964.35205	3.3
981.36517	100.0
982.36719	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01400	12.2
71.05576	8.3
71.64963	10.3
78.95905	9.1
98.96117	8.6
115.33482	10.2
116.92921	12.0
123.02413	8.2
125.02468	15.7
137.02495	12.1
165.01918	9.0
195.49767	8.9
209.11841	35.7
210.12195	16.0
291.46225	8.6
309.20767	11.2
310.21146	13.7
397.13724	18.9
398.13492	11.3
442.20078	10.4
470.76645	10.0
485.32803	100.0
486.33115	34.0
487.33591	9.7
489.31775	11.5
727.59082	10.9
910.79736	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	977.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.8
70.64398	0.6
71.01383	13.3
72.99303	1.3
73.02943	3.1
75.00867	1.0
78.95895	2.1
80.02693	1.2
80.07442	0.6
81.03458	2.1
83.01398	1.5
83.05035	6.1
85.02948	2.0
87.00880	2.3
88.87352	0.6
88.98811	0.7
89.02448	12.1
91.18769	0.6
95.01399	0.7
95.05025	1.0
97.02970	5.6
97.06570	1.3
101.02444	9.7
107.05025	0.7
108.96289	0.7
109.02969	0.7
109.55891	0.7
111.08168	2.2
113.02454	6.3
116.92865	0.9
119.03487	3.6
123.04530	0.9
125.02467	5.1
135.02975	0.8
137.02451	1.3
137.09714	0.9
143.03500	2.5
144.54387	0.7
151.00407	0.6
161.02432	0.7
161.04546	3.0
163.11316	4.1
165.02013	1.0
165.12868	5.1
169.12415	0.9
171.10310	3.0
179.05580	4.0
181.12357	1.4
197.11855	15.1
198.12180	1.1
209.11833	100.0
210.12167	7.6
211.13383	3.7
221.06598	1.0
223.13429	1.5
227.12895	13.8
228.13226	1.5
235.08182	4.6
247.20685	2.2
253.09274	2.7
260.36685	0.7
271.02393	1.0
287.07715	1.2
291.19675	24.5
291.22992	1.3
292.20068	2.4
305.08832	1.6
309.20724	72.6
310.21075	8.6
323.09573	0.7
379.12213	3.4
389.56741	0.7
394.07153	1.1
397.13510	37.1
398.13797	4.4
415.14572	12.1
416.14932	1.9
485.32709	28.5
486.33054	36.0
487.27325	0.9
487.33383	19.4
488.33701	1.6
489.32480	5.4
490.32779	8.4
491.33432	3.3
501.31339	1.0
589.25317	1.4
607.26019	4.2
608.25952	0.7
689.34296	3.8
707.35138	6.1
708.34937	0.9
941.42639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
68.72599	0.9
68.99838	1.2
69.03460	4.5
70.96781	2.1
70.97144	0.7
71.01392	5.6
72.99333	0.8
73.02942	1.1
77.03974	1.2
78.95895	1.3
80.02666	1.2
81.03466	10.3
83.01395	24.1
83.05027	5.3
84.02171	1.2
85.02955	2.7
87.00860	2.1
89.02446	3.2
93.03455	6.8
95.01395	4.7
95.05044	5.6
97.02961	9.5
97.06601	0.9
99.04517	4.9
101.02431	4.8
107.01382	1.3
107.05046	4.1
108.02187	1.8
109.02965	13.6
111.00905	1.0
111.04492	1.3
113.02467	1.8
119.05030	1.9
120.02140	1.5
121.02967	12.2
122.03769	4.5
123.00877	1.5
123.04528	6.1
124.01684	3.3
125.02462	100.0
126.02792	4.0
130.04295	0.9
131.05031	1.6
133.02962	2.7
135.04532	9.9
135.08125	1.2
137.02463	91.0
138.02872	3.1
139.04016	4.2
145.02945	2.4
146.03764	30.1
147.04587	4.9
149.02486	4.7
149.06064	1.2
150.03253	3.2
151.00392	3.1
151.04036	8.1
153.01915	1.3
154.02762	1.0
158.03722	2.0
159.04543	12.1
160.05330	4.4
161.02475	4.9
161.04500	1.1
161.06061	4.1
162.03214	3.2
163.00369	3.1
163.04021	2.4
163.11288	3.8
163.99857	1.8
164.01180	24.2
164.02548	1.4
165.01953	54.3
165.12802	1.6
166.02310	3.5
167.03517	27.8
167.04924	1.7
168.03827	1.4
171.04512	1.1
172.05295	8.6
173.06073	6.5
174.03226	15.5
174.06789	2.9
175.04018	5.4
176.04758	4.6
177.01967	11.3
179.02054	1.4
179.03511	16.7
180.04042	1.0
181.05098	1.8
183.04456	1.0
184.05331	1.7
185.06078	3.6
186.06876	3.9
187.04024	7.9
188.04810	14.0
189.05469	3.5
190.02736	1.7
190.06117	1.0
191.03595	1.3
191.05579	1.1
191.10776	1.9
196.05286	1.7
197.06136	1.5
198.06818	1.2
199.03983	2.3
199.07784	1.3
200.04820	5.7
200.08214	0.8
201.05571	6.8
202.06316	2.1
203.03476	1.6
203.07056	2.5
204.04256	9.1
205.05014	1.5
209.06100	2.4
209.09859	2.1
209.11835	35.4
210.06770	2.2
210.12085	2.4
211.04039	3.0
211.07625	3.0
211.13358	2.3
212.04784	8.7
213.05484	3.3
214.06380	1.0
215.07170	1.2
217.05191	1.8
223.07683	1.7
224.04794	1.7
225.05562	6.5
225.12965	1.0
226.06335	3.7
227.07100	2.8
227.12869	1.1
228.04488	1.3
228.07819	1.2
230.05928	1.0
236.04797	1.7
237.05568	1.4
239.07086	1.8
241.05031	1.2
243.02823	1.4
243.06691	1.8
243.14017	2.3
244.07413	1.6
245.08195	1.7
251.07127	5.6
252.07867	4.6
253.09061	1.3
253.12506	1.3
255.02925	1.7
255.13899	3.4
265.08563	2.0
267.13867	1.1
268.07422	4.3
269.08014	2.1
269.11847	6.5
269.15515	1.8
270.05377	1.0
270.08875	5.0
270.11807	1.0
271.06042	4.5
271.13370	41.2
271.16333	2.0
272.13733	3.2
281.11700	1.0
283.13400	5.8
285.03873	1.5
285.14807	5.1
287.05600	1.9
287.12933	3.2
288.06293	2.4
289.07166	5.7
289.14444	13.8
293.08337	1.5
294.08972	5.0
295.13324	4.9
297.11850	1.6
297.14963	6.8
298.15384	1.9
299.12860	10.6
299.16068	1.4
300.13324	1.9
301.14359	5.4
303.15945	1.3
309.14920	3.1
312.09952	1.1
312.13586	1.2
313.14468	23.9
314.14804	2.1
315.15958	6.1
317.13901	5.6
325.14438	14.6
326.14703	1.6
331.15488	5.8
335.12985	1.0
335.16342	5.1
337.14398	10.1
338.14642	1.1
343.15491	8.2
344.15814	1.1
351.16043	2.2
353.13791	1.6
353.17688	3.3
354.14526	1.1
355.15494	2.9
369.17102	2.1
377.17645	6.1
379.15500	3.4
391.15063	1.8
391.19455	1.3
393.17068	3.9
395.18762	6.9
397.16589	1.8
401.17676	1.8
413.19827	2.4
419.18695	14.8
420.18741	2.7
421.16809	1.2
437.19684	10.1
438.19891	2.3
445.16299	1.3
455.20789	1.1
463.17587	5.3
481.18781	1.8
553.22656	1.2
567.24738	3.8
579.24225	1.7
591.24921	1.1
633.47028	0.8
673.28534	4.8
699.26996	1.1
717.27948	2.6
747.36041	1.4
759.36078	2.2
777.37292	24.0
778.37817	6.4
789.37445	10.4
790.37585	2.3
801.37012	7.0
802.37512	1.6
807.38477	11.0
808.38849	3.3
819.37732	1.4
821.39716	1.2
839.41199	1.3
843.38586	1.6
883.41504	11.3
884.41602	2.6
901.41541	2.5
909.39813	5.8
910.39380	1.6
927.40417	80.7
928.40820	27.7
945.41705	70.0
946.41974	22.6
946.61041	1.4
959.42938	21.3
960.42908	7.0
977.44165	45.5
978.44373	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	973.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	5.7
71.01379	24.7
72.99309	1.5
73.02930	2.6
78.95914	3.5
81.03464	1.3
83.01374	1.5
85.02943	4.4
87.00884	5.0
88.98804	1.7
89.02448	17.6
95.01389	2.2
97.02942	5.6
99.00893	1.4
101.02454	15.9
106.70728	1.1
109.02940	1.4
111.00917	1.3
111.08170	9.4
113.02453	9.3
116.92860	2.2
119.03500	3.6
123.04503	1.1
125.02449	8.9
131.03500	1.3
137.02457	1.3
137.09865	1.4
143.03485	2.8
145.02951	5.6
149.09749	1.5
151.11278	1.8
152.99597	1.9
153.12891	1.4
161.04570	4.0
164.58864	1.3
167.10782	2.4
169.12344	3.6
171.10284	1.8
179.05609	5.1
179.10806	1.3
179.14362	2.1
181.12337	1.9
183.13828	1.2
195.13881	10.3
197.11832	39.7
198.12184	3.3
205.12321	9.2
207.10301	1.3
209.11826	1.9
211.13422	7.4
221.06590	3.8
223.13383	82.7
224.13731	7.2
225.11194	1.3
227.12845	2.5
235.08130	4.0
247.20642	1.6
253.09308	1.6
253.21909	1.2
277.21698	2.1
287.07764	1.3
291.19656	21.0
292.20132	1.8
305.08823	2.2
309.20706	100.0
310.21115	10.0
323.09521	1.5
379.12344	5.5
397.08234	2.4
397.13495	47.4
398.13840	3.9
414.78061	1.2
415.14609	17.7
416.14944	1.5
469.33395	2.3
471.31183	2.2
485.32956	5.4
486.33057	1.7
487.34454	2.9
501.31613	1.7
503.33688	5.7
515.29688	8.6
516.30426	3.2
603.26825	8.5
604.27173	2.5
621.27826	19.0
622.28125	5.2
647.36078	4.2
648.34808	1.2
689.34241	5.6
690.34387	1.5
707.34796	9.2
913.47906	11.0
914.48273	4.0
974.46722	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	975.6964
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	0.2
71.60815	0.2
72.54196	0.1
72.99315	0.1
75.00851	0.1
78.95895	0.5
79.62852	0.1
83.01382	0.1
87.00887	0.1
88.98807	0.2
94.32839	0.1
109.06618	0.2
116.92871	1.0
117.92895	0.3
118.92701	0.1
125.02466	0.1
126.14115	0.1
137.02411	0.2
150.79213	0.1
152.99612	0.1
209.11781	0.4
227.12929	0.1
231.40794	0.1
397.13559	0.2
401.32971	0.1
421.31235	0.1
423.32642	0.2
429.30240	0.2
439.32230	0.3
440.32645	0.1
441.33316	0.3
442.34100	0.1
469.33282	3.1
470.33466	0.8
485.32779	0.8
486.33139	0.8
487.34244	100.0
488.34589	19.7
489.35159	0.4
515.29919	0.1
667.27216	0.1
916.51831	0.1
956.41541	0.1
975.47791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99840	0.1
69.03448	0.5
70.92344	0.3
71.01382	7.3
71.05029	0.1
72.01703	0.1
72.99306	0.6
73.02944	1.0
73.27034	0.1
75.00876	0.2
78.95899	0.1
81.03463	0.2
83.01397	0.7
85.02950	1.8
87.00883	1.9
89.02450	5.5
90.78874	0.1
91.05971	0.1
95.01388	0.6
95.05051	0.1
97.02953	1.0
99.00889	0.3
99.04535	0.2
101.02451	5.1
102.02795	0.2
107.51276	0.1
109.03009	0.1
109.06593	0.2
111.00906	0.2
111.04517	0.2
111.08154	0.3
113.01720	0.2
113.02459	3.3
113.09724	0.2
114.02779	0.2
116.92827	0.1
117.94753	0.1
119.03510	1.5
121.10235	0.1
125.02457	1.8
125.09771	0.1
131.03516	0.3
139.03990	0.2
141.01965	0.1
141.09242	0.2
143.03510	0.8
149.04510	0.2
152.99567	0.1
159.02945	0.2
161.02235	0.1
161.04581	1.4
167.03491	0.2
167.10777	0.3
169.12306	0.1
171.10284	0.4
173.12761	0.1
177.12892	0.3
177.16464	0.1
179.05612	1.8
179.14429	0.7
181.12294	0.2
195.13905	7.1
196.14429	0.8
197.11705	0.1
205.12254	0.5
205.15877	0.4
209.11769	0.3
211.13380	0.5
217.07184	0.1
221.06606	0.8
223.13383	5.0
224.13785	0.4
225.14955	0.3
228.13640	0.5
231.21236	0.3
235.08232	1.8
237.80708	0.1
239.12851	0.2
245.06439	0.1
249.11171	0.2
249.22165	0.2
253.09253	0.6
255.23351	0.1
256.13153	1.2
263.07654	0.3
265.21701	0.4
267.11859	0.1
275.20154	4.6
276.20456	0.6
277.21732	0.2
287.07837	0.6
291.19653	0.2
293.21204	100.0
294.21542	10.4
305.08670	0.6
309.20798	0.3
317.21298	0.3
323.09741	0.5
335.22400	0.2
379.12302	1.0
397.13504	16.4
398.13837	1.6
415.14548	10.3
416.14737	1.2
458.55988	0.1
569.42194	1.6
570.42365	0.4
636.27264	0.2
654.27783	0.3
673.34662	1.3
674.34985	0.4
691.35553	2.9
692.36047	0.7
930.50128	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	964.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10387	14.7
71.01405	42.2
75.00938	16.8
78.95901	97.5
81.03458	15.2
100.45164	14.7
101.02460	20.2
137.02451	27.4
207.10291	31.3
209.11842	100.0
210.12186	41.2
225.11395	34.5
241.01111	25.6
255.23427	22.0
256.38007	15.9
277.21759	47.5
278.22412	18.1
327.85577	17.0
332.90958	16.8
397.13727	39.0
469.33133	48.9
704.12195	16.7
714.86127	20.0
729.15002	18.9
964.50037	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
68.66702	0.1
71.56789	0.2
71.57165	0.1
73.02926	0.2
77.11981	0.1
83.01400	0.4
85.02947	0.2
89.02486	0.2
93.03468	0.6
101.02437	0.2
107.01414	0.7
108.02161	0.2
109.02946	0.3
113.13147	0.1
117.03471	0.1
119.05026	0.5
119.75976	0.1
121.02980	0.3
123.04542	0.4
125.02434	1.2
132.02199	0.2
133.02893	0.2
135.00894	0.4
135.04559	0.3
137.02463	0.6
145.02979	0.3
151.00386	1.3
151.03995	0.2
153.01978	0.4
159.04507	0.3
161.02443	0.5
161.07664	0.2
163.00365	0.5
163.04047	0.2
164.01146	0.2
165.01941	0.5
169.01378	0.3
169.06581	0.2
171.04440	0.3
175.03958	0.2
177.01933	0.3
178.99867	0.4
179.03532	0.2
182.03764	0.2
183.04480	0.6
185.06125	0.6
187.04045	0.6
189.05528	0.3
190.99878	0.2
191.05533	0.2
195.04472	0.2
197.06100	0.2
199.03995	0.3
201.05554	0.2
211.03964	1.1
213.05510	0.6
227.03494	35.1
228.03853	2.6
229.05032	2.6
239.03470	0.5
240.04219	0.3
241.05023	0.5
243.03000	0.3
253.12292	0.1
255.02971	46.0
256.03564	6.9
257.04486	1.4
267.02765	0.2
269.04529	0.3
271.06143	0.5
272.06503	0.2
283.02612	0.2
283.06024	0.2
284.03244	49.9
285.03979	30.9
286.04376	2.2
287.05432	0.2
289.07300	0.2
299.05478	0.3
327.04834	0.8
329.33066	0.1
382.58252	0.1
432.55167	0.1
473.10864	100.0
474.11185	12.4
493.20801	0.3
519.32953	0.6
741.04187	0.2
805.32471	0.2
826.20850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03460	1.1
71.01371	4.3
72.99290	0.5
78.95905	100.0
80.91660	1.5
81.03457	1.3
83.01389	3.8
85.02947	2.5
87.00877	0.7
89.02454	2.7
93.03454	1.3
95.01338	0.5
95.05010	0.9
96.96970	9.2
97.02961	2.1
97.06604	0.4
98.20634	1.3
99.04550	0.5
101.02449	3.1
109.02940	2.0
113.02465	1.1
119.03510	0.8
121.02957	1.8
122.03767	0.9
123.00930	0.6
123.04523	1.4
124.01624	0.6
125.02460	13.3
127.07550	0.5
134.98566	0.7
135.04468	0.7
136.42769	0.4
137.02458	13.5
137.09703	0.7
138.02791	0.5
139.04109	0.6
141.09251	1.1
146.03749	4.6
147.04549	0.9
149.02487	3.0
149.06044	0.5
150.03230	3.7
150.98030	1.3
151.03972	0.9
152.99599	70.1
153.99959	1.3
158.03726	0.5
159.04491	2.1
160.05307	0.5
161.02463	0.8
161.04590	0.7
161.05991	0.6
161.77695	0.5
162.03229	0.8
164.01152	2.6
165.01953	10.5
166.02234	0.7
167.03531	3.3
170.82716	0.5
171.00652	12.1
171.10274	8.3
172.05219	0.6
173.06090	0.6
174.03233	4.6
174.06760	0.6
175.04034	2.6
176.04749	1.1
177.01924	0.9
179.03471	1.9
179.05635	1.0
181.12358	1.3
183.13846	0.9
186.06770	0.5
187.04002	1.3
188.04762	1.7
197.05983	0.4
200.04762	1.5
201.05533	1.4
202.06461	0.9
204.04227	2.7
209.02225	0.8
211.13394	5.2
212.04817	0.6
218.05824	0.8
221.06531	0.7
221.11790	0.6
223.07684	0.6
225.05553	0.9
227.03310	2.5
229.14354	3.2
230.05875	0.5
235.08058	1.1
245.04367	1.1
253.21715	0.8
255.23299	6.9
256.23679	0.5
269.11795	1.4
271.13385	7.1
272.13684	0.7
283.13358	1.5
285.15021	1.1
287.12927	1.1
287.16562	0.5
288.06311	1.3
288.13516	0.5
289.14554	3.2
291.19708	1.5
295.13495	0.9
297.14890	0.8
299.12854	3.2
301.14395	1.4
302.14697	0.5
309.15042	0.5
309.20721	3.2
311.12912	0.6
313.14532	1.9
315.16119	1.2
317.13940	6.2
318.14178	0.7
325.14459	4.9
326.14532	0.7
327.21765	27.7
328.22043	3.2
331.15588	1.0
335.16507	0.5
337.14465	1.2
343.15506	5.5
344.15771	0.6
355.15439	1.3
361.16843	2.2
377.17572	0.5
393.16846	0.6
397.13400	7.2
398.13690	0.9
409.16248	0.6
415.14508	3.9
419.18842	0.6
437.19598	0.7
469.73050	0.5
497.15671	1.1
499.19513	0.5
555.22510	0.8
565.44537	0.7
571.19629	0.7
589.20544	1.6
635.19678	0.7
653.37274	1.0
704.43689	0.5
707.34546	2.5
708.35907	0.8
709.22754	1.7
710.23004	0.5
725.36780	2.4
727.23956	5.7
728.24164	1.2
795.40729	0.6
809.45593	0.6
825.42108	34.4
826.42474	10.1
863.31281	0.5
897.01794	0.5
908.03809	0.5
963.45398	71.5
964.45679	31.3
968.12952	0.5
995.32349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	62.0
71.65210	45.4
74.36182	25.2
77.07533	25.6
78.91907	32.8
78.95911	99.5
80.64574	24.7
80.96542	27.9
93.38892	30.0
96.96053	52.1
107.48707	27.0
125.02450	57.0
163.11333	37.9
201.11314	28.2
209.11827	100.0
210.12253	50.5
247.27287	29.3
277.21762	63.7
397.13455	67.9
442.32681	31.2
884.47766	30.5
964.50085	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	0.7
71.01382	12.1
71.56059	1.0
72.99306	1.8
73.02936	2.1
75.00857	1.2
78.95906	4.8
80.02679	1.4
81.03455	1.8
83.01394	1.8
83.05027	4.4
85.02959	3.2
87.00875	3.3
88.98811	1.4
89.02447	12.5
93.03436	1.0
97.02956	2.4
99.00887	1.3
101.02456	11.0
109.02940	0.8
111.50901	0.8
113.02436	5.4
119.03508	3.6
121.02997	1.0
125.02457	6.8
137.02440	2.4
143.03528	1.7
152.99571	0.8
161.04625	2.4
163.11311	5.1
165.01952	1.3
165.12895	2.4
168.72244	0.7
171.10239	1.5
175.02499	0.6
179.03381	0.8
179.05673	3.7
181.12321	0.7
191.10750	1.0
195.02553	0.7
195.13911	6.5
205.12140	0.8
209.11830	86.9
210.12148	6.7
211.13362	1.5
221.06750	1.7
223.13390	5.7
227.12871	11.7
228.13483	1.3
235.08260	3.9
253.09299	1.9
275.20111	5.9
276.20581	0.7
287.07736	1.7
289.07098	1.4
293.21222	100.0
294.21564	11.6
295.22946	0.8
305.08774	2.3
309.20541	1.1
323.09851	1.2
379.12476	4.9
381.23990	1.1
397.13495	31.4
398.13776	2.9
399.25446	7.9
400.25873	1.8
415.14600	12.4
459.27145	20.1
460.27789	2.2
501.32162	11.8
502.32715	3.7
503.33243	2.0
514.28687	0.9
547.35767	0.7
589.24872	1.9
590.74860	0.8
607.25922	3.9
673.34998	2.6
691.35693	4.1
692.36133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44938	8.6
71.01393	18.8
71.34456	16.2
72.99305	14.6
73.02955	8.9
77.89477	7.0
78.81379	8.4
78.95908	20.5
89.49887	6.9
101.02448	12.1
105.34099	7.2
123.04501	7.6
125.02467	14.3
143.49020	7.5
158.55745	7.2
182.41623	6.9
209.11928	35.2
210.12131	15.3
225.11377	7.1
293.21292	31.0
294.21628	13.1
295.22070	12.0
300.83560	7.2
397.13446	12.8
487.34250	12.7
501.32187	90.9
502.32443	12.8
503.32990	9.2
512.52057	8.2
513.28571	100.0
514.28998	25.3
547.36469	10.3
672.07410	8.0
762.92004	8.3
964.47235	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	959.7051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	0.3
70.90508	0.2
71.05016	1.6
71.59385	0.4
78.95875	0.5
83.05016	0.4
87.00872	0.4
88.98808	0.6
97.06591	0.2
101.02453	0.4
116.92854	0.7
121.13121	0.2
125.02434	0.5
134.75993	0.3
140.79413	0.2
209.11765	0.6
291.19592	0.6
293.21292	0.4
367.80106	0.3
391.30096	0.5
393.31543	0.7
407.33435	1.6
407.38062	0.3
408.33450	0.7
409.30756	0.7
409.35013	0.7
411.25211	0.3
411.32706	1.8
412.33130	0.5
413.26929	0.5
413.34314	3.5
414.34744	0.5
423.32956	0.5
427.32184	1.1
437.30655	1.4
438.31332	0.3
441.33594	0.4
453.33740	0.7
455.31601	21.2
456.32004	5.0
457.32385	0.6
469.33197	3.3
470.33646	0.7
471.35428	8.0
472.35519	6.2
473.36163	100.0
474.32315	4.3
474.36578	19.5
484.31287	0.3
485.32712	47.3
486.25903	0.4
486.33054	11.3
487.34219	20.1
488.34598	3.7
513.32294	0.7
519.13635	0.3
623.81647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77377	3.0
71.01389	9.4
71.65050	4.0
73.02956	4.2
75.29280	3.0
78.95900	3.6
85.02952	6.3
88.98820	4.0
89.02450	7.2
95.24618	3.1
101.02441	7.6
116.92876	6.3
121.02994	5.1
125.02451	7.0
137.02560	4.0
152.99583	3.7
201.11432	4.3
209.11751	3.2
211.13406	7.9
212.13780	3.6
223.13396	11.5
224.13737	4.4
225.14107	4.0
277.21619	7.6
293.21054	15.1
294.21579	8.7
295.21680	3.9
397.13571	7.6
398.14066	4.1
400.14267	3.8
409.27454	4.4
415.14554	6.5
427.28510	42.7
428.28885	33.1
453.33707	8.6
454.33923	4.4
469.33331	3.4
471.34753	23.0
472.35043	19.0
486.32666	3.7
487.30438	100.0
488.30762	74.1
489.31281	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	953.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	10.3
71.65112	2.9
78.95901	2.3
83.05008	3.6
85.02947	4.4
87.00880	4.3
89.02456	13.2
96.96039	2.3
97.02974	4.5
100.41637	2.0
101.02458	8.6
111.08173	5.1
113.02435	5.7
116.92876	25.7
119.03505	4.3
123.04510	3.7
125.02490	10.8
137.02473	2.3
143.03461	2.7
151.04016	2.9
156.71606	1.9
161.02487	2.3
161.04579	4.5
163.11275	3.0
165.12894	2.4
171.10222	2.9
179.05620	6.9
197.11874	18.6
209.11850	81.0
210.12180	6.4
211.13400	3.8
227.12875	19.4
234.41109	2.0
235.08224	3.3
235.47821	2.6
268.72556	2.1
271.05933	2.0
287.07620	2.7
289.07019	4.5
291.19641	13.1
305.08850	2.4
309.20718	100.0
310.21072	11.1
323.09781	3.8
333.85806	1.9
379.12411	2.9
397.13547	62.4
398.13809	6.0
415.14581	16.8
485.32629	23.8
486.32962	7.3
487.33591	2.3
589.24951	4.1
607.25684	13.4
689.33887	6.6
707.34918	6.6
853.74878	2.2
899.46826	5.4
926.96362	2.4
953.45490	53.6
954.46136	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	957.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	3.0
71.01385	17.8
71.05026	0.6
72.99310	1.8
73.02946	2.0
76.91409	0.5
78.95898	1.6
83.01394	1.5
83.05053	0.7
85.02973	4.2
85.06598	0.6
86.91441	0.5
87.00882	4.2
88.98832	1.0
89.02454	15.8
95.01380	1.2
97.02960	2.7
98.20656	1.3
99.00880	1.5
101.02454	13.0
109.02975	0.8
109.06580	1.2
111.69394	0.5
113.02472	7.2
116.92852	1.4
119.03502	3.3
121.10314	0.6
121.85854	0.5
123.18972	0.5
125.02458	6.7
125.09711	1.0
131.03514	0.7
137.02458	0.9
143.03474	2.3
149.04532	0.8
149.09752	0.6
153.09052	0.5
161.04581	2.8
161.13377	0.7
167.10825	3.6
171.10286	2.4
171.38930	0.5
179.05627	5.4
179.10796	1.3
179.14438	2.9
186.57852	0.5
194.43069	0.5
195.13893	16.3
196.14320	1.1
199.09749	0.8
201.11366	1.7
205.12323	8.1
207.10452	1.1
208.45607	0.6
209.11890	4.6
211.13477	0.6
221.06633	2.0
223.13391	68.4
224.13736	4.5
225.11440	0.9
225.14915	0.6
227.12758	0.7
228.13696	0.9
229.82689	0.6
235.08194	3.8
252.02565	0.5
253.09225	0.6
256.13293	0.7
275.20126	5.7
276.20319	0.7
277.21674	4.8
278.22144	1.4
285.04196	0.8
287.07825	1.0
293.21213	100.0
294.21588	10.5
305.08890	1.5
323.09879	1.9
379.12473	4.2
397.13535	40.3
398.13828	3.6
415.14566	12.5
416.14850	1.2
421.66043	0.6
427.28424	2.5
453.33936	2.3
460.18402	0.6
467.31726	2.9
469.32956	0.9
471.34842	6.6
472.35114	2.0
485.32712	20.6
486.33005	3.0
487.30453	3.8
488.30710	0.8
499.34744	0.7
603.26501	7.6
604.26678	1.2
621.27771	16.7
622.27832	2.6
673.34821	3.9
674.35760	0.9
691.35602	5.5
692.36517	1.5
858.47253	0.6
897.48621	8.0
898.49646	2.8
919.50214	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48888	1.8
71.01383	1.7
72.99289	0.5
73.02937	0.3
83.01387	0.8
83.53416	0.3
85.02953	0.6
85.58154	0.2
87.00858	0.3
89.02435	1.2
91.01903	5.9
92.02212	0.3
93.03444	1.0
95.01382	0.3
96.96026	0.3
101.02447	1.6
107.01395	2.8
108.02194	1.2
109.02961	2.1
111.00870	0.3
113.02446	0.9
119.03535	0.4
119.04999	1.1
120.08224	0.5
121.02978	2.4
122.06113	0.6
123.04481	0.2
125.02448	1.3
134.06111	0.7
135.00885	3.0
135.04521	1.2
137.02441	0.8
139.04060	0.2
145.02925	0.3
147.17326	0.2
148.01692	0.9
149.00684	0.5
149.02480	0.4
151.00389	9.1
151.04008	0.2
152.00935	0.4
153.01932	1.9
155.10825	0.4
159.04434	0.3
161.02405	0.5
161.04570	0.4
163.00378	2.6
163.03990	1.2
164.01042	0.7
165.01933	0.3
165.12839	0.8
167.03487	0.3
169.01436	0.6
173.04623	0.3
177.01956	0.3
178.06256	0.2
178.99857	12.2
180.00244	0.8
183.04459	0.5
183.13904	9.7
184.14211	0.8
187.03903	0.4
190.99973	0.4
191.05661	0.3
192.99727	0.5
193.01398	0.5
193.08734	0.5
197.00908	0.7
199.03957	0.6
201.05557	0.5
203.03494	0.2
209.11823	0.2
211.03998	1.0
213.24083	0.2
215.03557	0.3
217.04852	0.2
226.02666	0.9
227.03441	1.7
227.12827	0.8
228.04224	0.2
229.05052	0.9
236.98592	0.8
239.03535	0.3
239.11903	0.3
243.02943	5.7
244.03537	0.4
245.04407	1.6
248.29222	0.2
253.09409	0.4
254.02310	1.2
255.02957	17.1
256.03314	1.8
257.04636	0.3
264.09015	0.4
271.02441	34.9
272.02875	3.6
273.03940	0.9
279.04727	0.5
279.11322	0.7
283.02478	1.3
285.03848	0.3
285.07593	0.3
289.07059	0.4
299.01999	1.3
300.02734	66.7
301.03445	35.6
302.03854	3.0
323.03738	0.4
331.11700	0.4
447.09195	0.8
463.08755	11.8
463.21768	17.6
464.09109	1.4
464.22067	2.1
485.09152	0.2
489.10324	100.0
490.10654	16.1
491.10892	0.4
523.34717	0.3
529.07855	1.1
747.32581	0.8
773.30499	1.1
774.30896	0.2
805.32910	0.7
831.30621	0.5
863.34296	0.5
921.33942	0.4
953.36792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
67.40101	15.2
71.01392	35.7
71.64579	24.7
78.95920	28.9
94.98130	14.4
101.02456	24.8
113.02398	24.0
121.19902	15.3
209.11888	100.0
210.12163	49.3
227.12955	16.5
277.21738	42.3
278.22025	38.1
322.73328	21.1
397.13608	35.6
462.54358	17.0
471.34753	38.4
472.35181	53.8
474.35632	23.9
772.69849	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	949.6075
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99826	0.1
69.03480	0.2
71.01383	0.8
71.05039	0.2
73.02944	1.7
75.13016	0.1
83.05042	0.2
85.02975	0.2
86.24726	0.1
87.00912	0.2
89.02447	0.5
97.03012	0.2
99.00931	0.3
101.02505	0.3
109.06599	0.1
113.02496	0.2
114.99612	0.1
116.92918	0.2
119.03561	0.1
123.04556	0.1
125.02518	0.3
142.00278	0.1
151.04012	0.1
163.11317	0.1
163.24167	0.1
169.12442	0.2
171.10347	0.3
171.11798	0.1
179.05698	0.2
183.13940	0.3
197.11858	0.4
203.45474	0.1
207.10274	0.1
209.11835	1.0
210.12201	0.1
211.13533	0.1
225.11392	0.3
227.12999	0.2
235.08264	0.1
237.16466	0.2
255.17522	0.2
269.19128	0.5
283.20694	0.3
285.22235	0.6
289.18082	0.1
291.19824	0.2
299.20132	0.3
307.20773	1.2
309.20892	0.7
310.21286	0.1
311.20096	0.3
321.22162	0.4
323.20120	0.4
323.23703	2.9
324.20822	0.1
324.24011	0.5
337.21616	0.7
338.21994	0.1
339.23312	1.5
340.23764	0.2
341.24310	0.3
349.21643	0.1
351.19620	0.3
367.22763	5.6
368.23175	1.0
383.26025	0.2
385.23825	47.9
386.24164	8.7
387.24640	0.9
397.13342	0.6
403.25058	0.2
415.14542	0.2
445.25894	100.0
446.26257	19.1
447.26575	2.4
448.26907	0.2
503.33926	1.1
504.34372	0.1
571.73523	0.1
931.44995	0.1
949.50293	0.7
950.49432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	24.7
71.39992	10.0
71.40434	5.0
73.02895	8.7
78.95901	17.6
79.58924	5.3
85.02955	7.1
88.69266	5.4
89.02443	18.2
97.02936	9.4
98.07411	5.3
99.92595	9.5
100.12752	5.5
101.02454	19.0
113.02452	16.0
114.93362	8.1
115.00392	5.5
116.92877	97.7
125.02481	12.3
135.03127	5.9
142.59819	5.9
145.87210	5.1
152.99600	10.9
163.11212	7.7
176.81987	5.3
199.13582	7.0
207.10236	25.7
208.10582	14.3
209.11909	100.0
210.12100	22.3
225.11266	13.8
226.11797	8.5
227.12744	20.2
228.13243	6.8
235.08253	9.0
277.21744	53.0
278.22046	36.7
279.23132	20.8
312.41660	6.4
379.12607	8.6
397.13455	25.1
415.14459	10.3
589.81494	5.9
696.97382	6.7
826.39667	7.0
886.49286	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	946.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
68.28537	3.6
71.01374	13.9
71.64851	6.8
78.95914	12.8
80.96484	4.8
88.98803	6.1
89.02431	9.7
99.92612	9.0
101.02456	5.9
109.06621	5.4
114.93452	6.4
116.92872	100.0
125.02439	5.5
145.87192	4.3
199.13542	4.7
207.10268	10.3
208.10634	7.8
209.11868	23.5
210.12170	6.9
211.13408	3.9
227.12904	7.2
277.21698	25.2
278.22012	13.4
298.77441	3.9
300.97903	4.6
316.66068	4.4
379.12515	7.6
397.13336	12.0
399.14200	7.1
453.33676	13.2
454.34134	10.2
485.36078	17.6
486.36523	8.3
705.63098	4.5
886.48059	9.7
947.49152	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	948.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
67.92922	11.1
70.39462	9.5
70.85789	25.2
71.01389	31.2
75.00819	11.8
76.08384	12.1
78.95907	25.8
89.02409	13.5
101.02452	17.6
104.88420	10.5
125.02448	28.0
126.56613	11.5
132.15036	11.3
153.13873	11.7
166.19479	8.5
169.59637	10.0
191.82738	10.9
201.11334	16.7
209.11819	92.5
210.12135	40.3
235.08325	13.4
277.21735	25.1
277.83609	11.5
278.22040	21.6
397.13626	21.4
399.13867	14.7
403.32748	10.1
471.34842	100.0
472.35358	97.2
473.35403	43.8
474.35645	39.7
475.35681	15.3
637.47845	11.2
942.36426	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	945.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.0
70.80014	0.4
70.80373	1.1
71.01384	15.6
72.99319	1.8
73.02950	2.4
75.00884	0.6
80.02685	0.8
81.03473	1.7
83.01398	1.9
83.05027	4.6
84.02185	0.7
85.02957	3.7
87.00873	3.1
88.98820	1.3
89.02451	12.0
91.04037	0.4
95.01407	1.6
95.01917	0.3
95.05038	0.7
97.02958	2.6
99.00896	1.0
101.02456	11.6
109.06595	0.4
111.00936	0.4
111.04499	0.4
113.02454	6.0
115.04039	0.4
119.03519	3.3
123.04605	0.3
125.02467	5.9
126.02758	0.5
131.03531	0.4
133.05087	0.6
135.08171	0.7
137.02473	0.5
139.04031	0.7
141.01976	0.4
143.03522	2.0
145.05043	0.4
147.11652	0.4
149.04568	0.4
161.04581	3.0
163.11311	3.6
165.12894	2.2
167.03638	0.4
179.05635	3.2
181.12381	0.4
185.04657	0.3
191.10759	1.0
199.06096	0.4
209.11836	100.0
210.12177	6.9
217.07162	0.5
221.06709	1.1
227.10655	0.7
227.12891	12.4
228.13205	0.8
235.08234	5.5
253.09256	0.9
259.08295	0.4
263.07825	0.6
277.21719	49.9
278.22073	5.8
287.07703	2.0
305.08743	1.8
311.16736	0.4
323.09802	1.4
379.12488	9.7
380.12909	0.7
397.13510	40.3
398.13837	4.0
415.14548	8.3
416.14777	0.8
471.27859	0.6
471.34781	18.0
472.35114	22.0
473.35434	7.4
589.24976	1.5
590.25488	0.4
607.25940	1.7
657.34747	1.1
675.35852	2.2
676.36853	0.8
786.62396	0.4
840.46191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
66.05139	0.2
68.03465	0.3
68.99873	0.2
69.03450	0.9
71.01382	13.1
71.20482	0.7
72.01743	0.3
72.99306	1.1
73.02946	2.0
74.49962	0.3
75.00860	0.5
78.95933	0.2
80.02684	1.0
80.51205	0.2
81.03463	1.7
83.01396	1.9
83.05031	6.0
84.02187	0.9
85.02946	3.0
87.00890	3.2
88.18456	0.2
89.02455	10.6
90.02760	0.3
93.03441	0.2
93.29565	0.3
93.30310	0.2
95.01389	0.9
95.05035	0.8
97.02966	1.5
99.00897	1.0
99.04530	0.3
101.02452	9.8
109.02984	0.3
111.00905	0.5
111.04508	0.4
113.02465	5.9
119.03514	2.7
123.04527	0.4
125.02460	4.8
125.06107	0.8
127.03938	0.3
131.03548	0.6
133.05066	0.3
133.07339	0.3
134.03688	0.2
135.08167	0.6
137.02405	0.4
139.04021	0.3
143.03502	1.8
147.52205	0.3
151.04034	0.3
161.04567	2.8
163.11298	4.4
165.12865	2.4
167.03592	0.4
179.05621	3.1
181.12323	0.9
191.10785	1.1
199.06291	0.5
209.11833	100.0
210.12177	6.0
217.07184	0.7
221.06709	1.5
227.12872	10.6
228.13220	1.0
235.08215	3.8
251.12936	0.7
253.09256	0.4
259.08163	0.9
277.21716	40.4
278.22043	4.0
287.07663	2.0
305.08792	2.0
323.09937	1.0
361.11139	0.3
379.12463	9.7
380.12741	0.8
392.55621	0.3
397.13531	32.9
398.13849	2.7
402.27164	0.3
415.14597	6.8
415.19803	0.3
416.14890	0.5
471.34781	18.0
472.35104	18.9
473.35449	7.7
589.25043	1.8
590.24872	0.3
607.26282	3.0
608.26251	0.3
619.27313	0.3
657.35071	0.7
675.35956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	1.5
69.03458	4.1
70.98598	2.1
71.01382	6.4
71.82697	0.8
72.99323	1.4
77.03959	1.7
81.03461	11.0
83.01392	20.5
83.05033	4.0
84.02173	1.2
85.02939	2.2
87.00884	1.1
89.02454	3.2
91.05534	0.9
93.03474	6.9
95.01402	3.1
95.05025	5.8
97.02957	8.1
99.04530	4.1
101.02447	3.2
101.49408	0.8
107.01369	2.2
107.05031	3.5
108.02169	2.4
109.02968	12.5
113.02420	1.6
117.03474	0.9
118.02018	0.9
119.03492	0.9
119.05029	2.5
120.02142	1.3
121.02954	10.4
122.03774	3.9
123.00890	1.7
123.04556	6.1
124.01668	3.5
125.02465	100.0
126.02791	3.3
131.05057	1.5
133.02957	2.1
135.04541	7.1
137.02467	90.0
138.02826	3.3
139.03996	4.0
145.02933	1.9
146.03755	30.6
147.04428	2.9
149.02428	3.5
149.06068	1.4
150.03201	2.3
151.00366	5.0
151.04015	8.0
153.01967	1.2
158.03676	1.3
159.04539	11.7
160.05356	4.6
161.02441	4.2
161.06078	3.7
162.03201	3.0
163.00366	2.6
163.03984	2.2
163.11349	4.0
163.99870	1.7
164.01175	21.7
165.01949	61.1
165.12906	1.3
166.02275	2.7
167.03514	27.0
168.03841	2.4
171.04524	1.0
172.05318	8.5
173.06088	5.8
174.03235	16.3
174.06870	5.5
175.03970	4.6
176.04778	3.1
177.01958	10.5
177.05600	1.0
178.99930	1.0
179.03508	16.8
180.03998	0.8
181.01012	0.8
181.05106	1.1
183.04544	1.0
184.05327	1.3
185.06073	3.7
186.06837	3.0
187.03992	9.1
187.07558	1.0
188.04797	11.5
189.05472	3.0
190.02684	1.2
191.03514	1.9
196.05278	0.9
197.05988	2.3
198.06711	1.2
199.03958	3.0
199.07632	2.1
200.04802	6.5
200.08406	1.1
201.05511	5.6
202.06398	1.6
202.52492	0.9
203.07178	1.1
204.04269	8.2
209.06067	3.5
209.11842	34.7
210.06865	3.2
210.12154	2.1
211.03987	2.4
211.07582	1.0
211.13431	1.9
212.04794	8.4
212.08183	1.2
213.05479	3.4
213.09364	0.8
214.09671	0.9
215.07199	1.3
218.05876	0.9
223.07524	1.3
224.04723	1.3
225.05577	6.5
225.09160	1.1
225.12910	1.2
226.06334	2.9
227.07040	1.9
228.04129	0.9
228.07834	1.2
237.05528	1.6
239.07089	1.3
241.12331	1.1
243.06529	1.4
243.13802	2.4
244.07262	1.4
245.08118	1.3
251.07059	3.3
251.14473	0.9
252.07938	3.6
253.09053	0.9
253.12227	1.2
255.13829	3.6
259.06116	8.6
266.09119	1.0
268.07449	3.5
269.04550	2.5
269.08218	1.1
269.08679	1.3
269.11777	7.7
269.14935	1.4
270.08948	3.6
270.12408	1.9
271.06192	5.1
271.13385	39.7
272.13690	3.6
276.07996	1.4
278.05997	1.1
281.12057	1.0
281.15454	1.0
283.13431	4.4
285.15005	5.6
287.05630	11.8
287.12866	2.5
288.06320	2.8
289.07108	4.5
289.14471	12.3
290.14813	1.2
294.08972	7.9
295.13394	4.4
297.14948	7.0
299.12903	10.4
300.13266	1.3
301.14554	4.4
309.14987	2.6
311.13040	1.3
313.14474	24.9
313.18091	1.4
314.14850	2.8
315.15997	4.9
317.13962	6.2
318.14444	1.1
320.06876	2.2
325.14453	15.6
326.14905	1.2
327.16049	1.5
331.15497	5.1
335.12976	1.1
335.16504	3.1
337.14435	10.5
338.15131	0.9
343.15427	8.9
344.15790	1.1
351.15884	1.9
353.17502	3.7
355.15366	3.9
369.16989	1.6
377.17703	4.2
379.15598	3.5
382.97183	0.9
393.17035	3.2
395.18771	5.4
401.17593	1.9
413.19705	1.3
419.18631	15.8
420.18915	3.6
421.16412	1.1
437.19745	8.4
438.20126	1.0
445.16766	1.3
463.17654	5.3
481.18497	2.3
522.80682	0.8
553.22809	1.7
567.24292	6.2
579.25061	1.7
591.24359	3.3
597.25452	1.5
624.68866	0.9
655.26886	1.0
673.29108	6.0
674.29492	1.2
699.26959	1.6
717.28131	5.6
735.27148	1.1
759.35748	1.7
761.37689	1.4
763.36108	1.1
777.37567	17.1
778.37506	5.2
789.37006	10.5
790.37579	2.6
801.37366	7.2
802.37616	1.4
807.38263	11.8
808.38574	3.1
812.66602	0.8
843.39203	1.3
855.42346	0.9
865.39532	1.4
872.63019	0.9
883.41418	11.0
884.42181	4.0
901.40009	2.7
909.39697	7.7
910.39807	2.1
927.40417	74.5
928.22534	1.9
928.40662	26.9
945.41541	63.5
946.41882	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	71.2
71.55404	39.8
71.55856	49.9
89.02467	51.2
89.18116	35.2
100.38675	35.0
119.37607	35.9
137.04816	31.9
223.13374	100.0
224.13628	94.7
225.14018	55.0
277.21713	76.9
278.22150	73.0
315.50940	35.6
386.36288	38.9
397.13611	40.5
399.13791	44.9
403.44547	33.7
408.68546	39.4
489.00528	36.9
535.07050	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	945.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	1.5
69.03451	4.1
71.01390	7.5
71.49870	1.0
72.99304	1.1
73.02963	1.0
73.49337	1.0
78.95905	1.8
81.03466	10.0
83.01402	19.1
83.05030	4.0
83.34842	1.1
84.02184	1.0
84.65717	1.0
85.02945	1.8
87.00907	1.3
89.02465	2.3
89.03969	1.3
89.51350	1.2
93.03475	9.8
95.01405	3.4
95.05032	5.5
96.96004	2.0
96.96973	1.0
97.02969	9.8
98.19783	1.9
99.04517	5.0
101.02443	3.8
103.30676	0.9
107.01449	1.4
107.05043	2.6
108.02182	1.8
109.02975	11.9
113.02444	1.9
116.92873	1.2
119.05036	4.9
121.02977	10.7
122.03735	4.4
123.00932	2.4
123.04541	4.7
124.01688	2.7
125.02467	100.0
126.02789	2.7
131.05066	1.3
133.02982	2.5
135.04573	6.6
137.02469	83.0
138.02831	3.7
139.04047	4.5
145.02962	1.4
146.03751	27.6
147.04453	1.9
149.02467	4.7
149.06039	1.4
150.03236	2.9
151.00421	6.0
151.04053	9.3
159.04535	10.6
160.05322	6.1
161.02460	5.9
161.06104	3.3
163.00389	2.3
163.03989	2.4
163.11269	3.4
164.01169	22.7
165.01956	53.5
165.05659	1.2
166.02356	3.1
167.03526	24.1
168.03828	1.6
172.05331	6.8
173.06027	6.2
174.03232	13.2
174.06863	4.4
175.03999	5.5
176.04762	4.7
177.01935	10.7
177.05373	1.6
179.03519	16.9
181.05049	1.4
183.66727	1.0
184.05278	1.0
185.06064	3.3
186.06813	3.4
187.04034	6.1
187.07468	1.5
188.04819	8.6
189.05563	3.0
191.03548	2.7
191.10727	1.3
196.05325	1.2
197.06070	1.9
199.03987	2.0
199.07660	2.4
200.04823	6.4
201.05553	6.1
202.06281	2.5
203.03583	1.4
203.07240	1.0
204.04271	7.2
209.06160	2.4
209.11844	35.3
210.06793	3.1
210.12155	2.9
211.04030	3.4
211.07639	2.1
211.13461	1.8
212.04787	9.1
212.08319	1.2
213.05495	2.9
214.06229	2.2
217.05055	1.5
218.05840	1.2
224.04797	1.2
225.05521	5.3
226.06334	3.5
227.07156	1.8
227.12927	1.6
229.05029	1.6
230.05992	1.7
237.05782	1.6
238.06294	1.9
239.07198	2.0
241.05206	2.1
243.03023	1.3
243.06628	1.2
245.08261	1.2
251.07167	3.8
252.07883	3.8
253.09013	1.2
255.02997	1.3
255.13872	3.8
259.06055	3.2
265.08615	1.8
268.07364	3.3
269.11823	6.5
270.08847	4.2
270.12570	1.3
271.06110	7.3
271.13367	33.7
272.13751	4.7
283.13489	3.4
284.13913	1.4
285.04071	2.4
285.14969	4.9
287.05588	5.0
287.12875	3.2
288.06287	2.3
289.07227	4.6
289.14413	10.9
290.14893	1.5
294.09018	5.3
295.13379	3.7
297.14969	3.5
299.12897	8.8
300.13477	2.1
301.14496	3.7
307.17056	1.4
309.15018	2.6
313.14435	17.2
314.14767	3.2
315.16016	3.4
317.14072	4.9
320.06943	1.4
325.14444	11.0
326.14728	1.8
331.15506	4.2
335.16544	3.3
337.14539	8.6
338.14944	1.3
343.15527	7.3
351.16153	1.8
353.13962	1.7
353.17743	1.9
355.15689	3.0
370.70901	1.1
377.17731	3.7
379.15497	3.9
391.19473	1.3
393.17209	3.1
395.18835	4.8
396.18787	1.2
401.17670	1.4
409.16077	1.2
413.19772	1.9
419.18683	15.7
420.19104	2.9
437.19641	8.4
438.20221	1.7
445.16376	1.5
445.99225	1.3
463.17645	5.7
481.18768	1.7
496.88766	1.2
533.60248	1.2
567.24487	4.9
591.24640	2.5
673.29181	6.4
674.28906	1.4
691.29169	1.2
699.26855	1.6
717.27899	3.7
718.27911	2.0
759.36713	2.2
763.35968	1.4
777.37701	13.8
778.37732	2.7
789.37280	8.9
790.37396	2.5
801.38025	7.3
802.38489	1.7
807.38147	7.2
808.38519	2.2
822.24677	1.6
865.40387	1.7
883.41803	11.4
884.42017	3.3
901.40613	3.4
909.39252	7.6
910.38568	1.6
927.40460	78.6
928.40674	27.7
945.41760	65.3
946.42065	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	943.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58652	0.5
69.03445	1.6
71.01385	24.3
71.33421	0.7
72.99315	3.1
73.02946	2.8
73.88113	0.5
74.99389	0.4
75.00877	0.7
77.75371	0.5
78.95918	0.7
80.02697	0.9
81.03468	3.6
83.01392	2.2
83.05035	3.7
83.18757	0.5
85.02953	6.2
87.00885	5.4
88.98811	2.2
89.02453	15.9
93.03482	1.2
95.01401	1.9
95.05044	0.9
97.02963	10.1
99.00887	3.0
101.02456	16.7
102.02810	0.7
106.04273	0.7
107.05040	1.1
109.02958	0.6
109.06605	36.0
110.03745	1.6
110.06948	1.3
111.00880	0.8
111.04500	1.1
113.02464	9.7
116.92862	0.9
119.03526	3.5
121.02964	1.0
121.06602	3.0
123.04540	1.2
123.08200	0.7
125.02480	6.5
125.09748	0.9
133.05023	0.6
135.08168	5.1
136.05270	1.5
139.03976	0.9
141.01965	1.3
142.02734	2.3
143.03510	3.1
151.36270	0.6
161.04527	3.6
161.09717	2.7
163.11302	21.0
164.11626	1.8
168.23332	0.5
179.05620	4.7
179.10721	1.1
181.12340	5.3
189.09203	2.8
207.10269	100.0
208.10597	7.5
209.11806	4.0
211.13464	1.4
217.07108	0.7
221.06673	3.7
225.11325	45.8
226.11685	2.7
233.06297	0.5
235.08202	4.3
243.12378	2.6
245.07016	0.6
249.11316	0.6
253.09230	0.9
255.23303	0.7
263.07693	1.0
269.89023	0.5
277.21716	57.5
278.22079	6.3
281.13974	1.1
287.07748	1.7
297.31680	0.7
299.15149	1.5
305.08780	2.3
323.09818	1.2
379.12491	8.9
380.12701	0.9
397.13525	44.7
398.13974	3.7
415.14575	13.8
415.19766	1.0
416.15234	1.0
441.33655	1.3
485.32825	0.6
563.67975	0.6
587.23553	2.7
588.24243	0.8
597.98950	0.6
605.24524	10.8
606.24884	2.2
621.53375	0.6
623.25726	8.3
624.25909	1.3
657.34735	0.8
675.36206	1.9
707.44360	0.6
865.45972	2.5
866.47986	0.7
883.47260	63.6
884.47510	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	943.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.9
69.32323	8.6
69.32726	3.3
71.01003	1.9
71.01383	27.7
72.99306	3.0
73.02940	4.3
75.59328	1.3
78.95903	2.4
80.02697	2.1
81.03451	3.4
83.01379	1.8
83.05015	2.2
85.02949	7.7
87.00883	6.3
88.98792	1.8
89.02448	17.1
95.01402	2.7
97.02959	13.3
99.00871	4.0
101.02451	19.2
109.06597	33.0
110.03741	2.3
113.02490	11.1
116.92883	1.8
119.03523	3.3
123.04487	1.7
125.02463	9.4
135.08141	3.4
136.05313	3.1
141.01961	2.1
142.02715	3.2
142.32253	1.1
143.03464	3.8
152.99652	1.3
161.04532	5.0
161.09718	2.7
163.11298	19.0
164.11559	1.5
179.05597	3.8
181.12329	4.9
189.09216	2.8
207.10268	100.0
208.10648	6.8
209.11803	3.7
217.07191	1.8
221.06616	1.7
222.87288	1.1
225.09204	2.3
225.11327	37.9
226.11635	2.8
235.08199	8.0
238.20493	1.3
243.12300	1.7
253.09230	1.7
255.23239	1.6
277.21710	78.4
278.22034	9.3
287.07697	2.0
299.14969	1.8
305.08682	2.5
323.09946	2.0
379.12506	9.6
397.13504	61.6
398.13776	6.9
411.41409	1.2
415.14508	15.6
570.07074	1.3
587.23376	2.3
605.24457	8.9
606.24573	1.4
623.25488	5.0
624.25403	1.5
657.34717	1.6
675.35913	3.4
865.46521	2.6
876.28510	1.4
883.47302	69.0
884.47589	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	1.4
71.01379	18.5
71.58955	1.7
72.99308	2.7
73.02944	2.4
75.00871	1.1
77.62323	1.2
78.95920	1.2
81.03465	2.0
82.50542	1.0
83.01368	2.2
85.02952	5.5
87.00867	8.5
88.94756	1.2
88.98811	3.0
89.02452	9.5
97.02959	13.0
97.06593	2.2
99.00890	20.4
101.02429	11.7
109.06602	2.9
110.03756	1.3
111.00842	1.2
111.04560	1.2
113.02454	7.8
116.92883	5.4
119.03491	3.2
122.03764	1.3
123.08164	1.4
125.02473	8.3
125.09780	6.4
135.08171	1.7
136.05298	1.6
137.05710	1.2
142.02701	3.0
143.03514	2.5
157.06062	1.1
161.04510	2.4
163.11281	12.9
179.05531	1.6
181.12352	24.0
182.12813	1.3
197.11794	1.3
199.13402	4.2
207.10258	65.9
208.10632	5.0
209.11816	1.8
223.13342	1.3
225.11317	100.0
226.11642	6.7
235.08182	3.0
243.12349	35.7
244.12694	3.2
263.07513	1.5
271.45712	1.3
272.55032	1.4
274.18713	1.1
277.21701	49.6
278.22046	5.9
287.07867	1.9
299.14740	1.6
317.15982	2.6
379.12271	1.7
397.13376	10.9
415.14560	1.5
461.20355	1.5
525.30060	1.2
605.24500	29.3
606.24792	5.5
623.25696	29.3
624.26031	4.6
750.17377	1.3
883.47241	99.3
884.47577	34.9
884.64771	1.7
959.23004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	0.5
69.03418	4.5
71.01382	20.1
71.05035	0.7
71.39803	0.6
72.01692	0.4
72.99315	1.7
73.02942	3.1
75.00866	0.5
78.95918	0.6
81.03466	0.6
83.01416	1.8
83.05036	0.4
85.02957	4.7
87.00887	4.1
88.08457	0.4
89.02448	13.9
89.69379	0.4
93.03452	0.7
95.01380	1.5
95.05045	0.8
96.41646	0.4
97.02978	2.9
97.06673	0.4
99.00888	1.3
101.02451	15.9
109.06607	1.0
111.00941	0.5
111.04547	0.5
113.02462	8.9
116.92878	3.6
117.92809	0.4
118.23656	0.4
119.03495	3.5
125.02463	5.6
131.03525	0.7
133.05116	0.4
135.11797	0.5
138.48976	0.4
139.04018	0.8
143.03476	2.6
149.04634	0.8
149.09737	0.6
161.04562	4.4
161.13419	0.6
167.10791	3.0
170.83723	0.4
177.12848	0.5
179.05629	5.2
179.10780	1.5
179.14407	3.6
195.13908	10.5
196.14218	0.5
199.06131	0.5
205.12334	9.0
206.12640	0.7
207.10342	0.5
209.11690	0.5
217.07033	0.9
221.06625	1.9
223.13391	100.0
224.13730	6.4
235.08237	5.1
235.34528	0.4
245.06532	0.5
247.13281	0.4
253.09335	0.5
255.23517	0.4
263.07489	0.5
275.20145	0.4
277.21710	58.9
278.22049	6.1
287.07724	2.1
301.09106	0.6
305.08746	2.0
323.09814	1.7
337.54205	0.5
363.20471	0.4
376.23758	0.5
379.12473	10.6
380.12857	0.8
397.13516	45.6
398.13879	4.0
415.14575	7.9
416.15005	0.8
441.20697	0.5
579.20007	0.5
603.26666	17.0
604.27094	2.4
621.27728	16.7
622.28119	2.7
641.56293	0.4
657.35059	2.4
658.35211	0.5
675.36249	3.9
676.36346	0.7
774.74066	0.5
881.49316	7.7
882.49396	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	941.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01886	2.2
67.42041	0.9
69.03450	6.2
71.01376	6.0
77.03967	1.1
78.95896	1.2
81.03465	7.2
83.01387	17.9
85.02970	1.9
88.98814	1.2
89.02452	2.3
93.03454	5.3
95.01378	2.3
95.05049	5.0
96.96014	1.1
97.02940	7.2
99.04527	4.1
101.02457	2.7
107.01402	1.2
107.05018	3.5
108.02180	1.3
109.02961	11.3
113.02470	1.6
116.92860	1.8
119.05066	2.4
120.02204	1.5
121.02987	9.8
122.03742	4.3
123.00897	1.6
123.04517	4.1
124.01671	3.8
125.02457	100.0
126.02843	2.6
131.05051	2.0
133.02979	3.4
135.00809	1.0
135.04504	5.3
137.02457	78.9
138.02811	2.7
139.04028	2.7
146.03757	27.4
147.04449	3.0
149.02414	3.7
150.03249	1.9
151.00377	2.8
151.03992	7.7
158.03737	2.1
159.04530	8.6
160.05281	4.2
161.02457	4.0
161.06082	3.8
162.03134	1.3
163.00362	2.1
164.01154	19.6
165.01941	55.7
166.02292	3.1
167.03503	25.5
172.05309	6.3
173.06003	4.4
174.03252	9.8
174.06776	3.0
175.04013	5.0
176.04764	3.6
177.01932	8.4
179.03502	15.2
179.14488	1.3
185.06088	2.4
185.17763	1.1
186.06807	2.4
187.04004	4.2
187.07687	1.6
188.04796	9.7
189.05507	3.3
191.03516	2.3
195.13817	3.8
196.05269	1.6
198.06787	1.6
199.07570	1.4
200.04750	6.5
200.08420	1.1
201.05605	3.8
202.06271	1.8
203.03528	1.3
204.04221	5.3
205.12294	2.3
209.06120	1.6
209.11728	1.3
210.06728	2.5
211.04091	2.4
211.13437	3.1
212.04750	8.6
213.05559	1.9
214.06314	1.3
223.07623	2.4
223.13377	9.7
225.05592	5.2
226.06332	4.2
227.06956	1.2
228.07726	1.6
237.05399	1.8
239.06999	1.8
240.07886	1.3
241.12399	1.2
243.13853	3.2
244.07370	1.5
251.07045	3.3
251.14384	1.1
252.07870	3.3
255.13809	3.5
265.08606	1.1
267.13708	1.1
268.07318	3.5
269.08627	1.3
269.11816	4.9
269.15283	2.3
270.08881	3.1
270.12222	1.2
271.06107	5.1
271.13354	36.8
272.13626	2.8
283.13379	4.0
285.15005	4.4
287.12885	3.0
288.06296	2.1
289.07089	1.2
289.14478	11.8
290.14828	1.3
293.08127	1.4
294.08939	3.8
295.13364	4.4
297.14890	3.6
299.12891	9.1
301.14319	3.7
309.14996	2.8
313.14404	22.6
313.17792	2.0
314.14841	2.3
315.15881	4.8
316.12772	1.2
317.13861	4.7
325.14438	13.0
327.16168	1.2
331.15515	3.7
335.16443	3.3
337.14343	9.6
343.15524	8.8
351.16046	1.5
353.13870	1.5
353.17780	1.9
355.15442	3.7
377.17554	3.9
379.15646	3.0
391.19235	1.4
393.16864	2.7
395.18491	3.2
396.18765	1.5
401.17633	1.6
419.18646	14.5
420.18854	3.2
429.26346	1.5
437.19870	9.0
445.16809	1.3
463.17465	4.9
481.18741	2.2
489.28674	3.3
567.24243	6.5
591.24664	2.5
673.28845	6.3
674.29425	2.2
717.28229	3.9
718.28528	1.9
731.01849	1.2
743.37567	1.2
755.37732	1.2
757.38409	2.6
773.37805	18.9
774.37952	5.8
785.37781	11.1
786.37891	3.7
797.38501	7.7
798.37817	3.6
803.38672	8.9
804.39191	2.5
839.39215	1.9
879.41864	12.5
880.42676	4.4
897.41345	4.1
898.41986	1.4
905.39960	6.0
906.39276	1.7
923.40930	78.8
924.41412	28.8
941.42139	62.7
942.42322	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	941.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.6
71.01393	3.6
71.61224	1.2
72.99303	1.0
74.96330	0.7
81.03464	3.9
83.01391	10.1
85.02962	1.2
87.00883	1.3
89.02433	2.1
90.91914	0.6
93.03468	2.5
95.01396	2.2
95.05015	2.6
96.95996	0.8
97.02952	4.4
99.04516	1.4
101.02455	1.1
108.02199	2.0
109.02972	4.4
111.04519	0.9
113.02393	0.9
121.02959	5.2
122.03753	6.0
122.38079	0.8
123.04561	4.2
124.01695	0.9
125.02463	38.8
126.02760	1.1
133.02963	1.0
135.04536	4.4
136.05270	2.8
137.02463	34.4
138.03131	1.0
139.04076	1.8
146.03732	2.1
148.05324	0.8
149.02438	2.9
149.06100	0.9
150.03246	4.9
151.04008	2.7
158.03827	0.9
159.04515	2.1
160.05247	1.0
161.02443	3.2
161.06091	0.9
162.03203	2.9
162.07098	0.8
163.04051	1.2
164.01202	8.9
164.04874	2.1
165.01942	18.8
166.02313	0.9
167.03499	4.7
172.05290	2.2
173.06128	2.6
174.03186	1.6
175.04008	2.8
177.05591	0.9
179.03525	6.3
185.06046	0.8
187.03979	1.1
187.07626	0.8
188.04807	1.2
190.02849	0.9
192.04237	1.2
195.13902	3.1
200.04770	1.2
201.05562	4.3
202.06255	1.7
203.03462	1.4
204.04240	4.7
205.12320	2.5
211.13390	4.1
213.05550	2.5
215.07065	1.7
216.07838	0.8
223.13383	9.4
226.06354	1.1
243.06476	1.2
244.03644	0.8
244.07364	2.0
245.08115	0.8
257.15424	1.4
259.06088	1.5
259.16962	1.8
271.06174	1.4
271.13507	1.2
273.14935	9.6
274.15311	1.2
285.03784	0.9
285.14993	3.0
287.05493	5.5
287.16446	8.5
288.06104	1.7
288.17230	0.8
289.07175	1.6
289.18124	0.9
291.15991	1.7
297.15115	1.9
299.16467	1.3
301.14301	1.5
303.16000	0.9
313.14435	2.1
315.16000	15.1
316.16348	1.1
319.15543	1.7
325.18054	1.6
327.15970	2.1
333.16980	2.9
343.15521	2.5
343.19220	1.1
351.15784	1.4
367.19046	4.1
368.19418	1.1
369.16837	1.1
372.16220	0.9
385.20102	3.2
395.18600	1.7
397.16388	1.1
409.20346	7.8
410.20886	1.0
413.19623	1.0
419.18579	0.9
427.21243	1.3
437.19617	2.4
474.83081	0.9
481.18564	3.2
485.32800	2.2
653.35260	1.7
735.28949	2.2
773.39148	1.0
803.38483	5.7
804.39380	2.4
815.38745	2.8
897.43317	2.0
923.41382	3.6
924.41083	1.1
941.42126	100.0
942.42432	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.459
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04502	1.5
71.01386	9.3
71.56070	2.4
72.94495	1.4
73.02555	1.6
78.95929	1.9
79.11328	1.5
83.01402	1.9
83.05008	2.5
85.02937	2.7
89.02445	7.7
101.02454	8.2
113.02452	3.9
116.92896	3.0
123.04597	2.0
125.02488	7.6
130.97839	1.8
132.76465	1.6
161.02429	1.9
161.04654	3.9
170.06279	1.8
171.10245	3.2
179.05627	4.4
195.13878	3.8
209.11816	64.2
210.12067	2.9
211.13521	1.7
223.13353	2.7
227.12894	17.6
235.08347	3.8
275.20099	3.9
293.21216	100.0
294.21494	9.9
297.03967	1.8
305.08945	2.1
379.12460	5.8
397.13486	46.4
398.13858	2.6
415.14545	16.2
589.25104	3.7
607.26160	6.9
673.34576	5.9
691.35217	11.1
692.37189	1.9
883.47113	3.3
937.45642	49.7
938.45752	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	932.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60345	31.3
70.09958	78.7
70.10358	62.8
70.59417	29.2
78.95906	48.8
80.85204	34.0
89.02445	45.6
92.26534	37.2
94.80434	32.5
101.02491	51.9
121.03052	33.0
134.34427	36.9
145.72977	37.5
209.11803	84.3
211.13441	100.0
212.13673	54.0
277.21771	71.0
278.22131	81.1
341.29150	40.1
364.85657	37.9
380.12457	35.8
397.13431	62.1
651.34015	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4724
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01895	0.7
68.83759	0.5
68.92069	0.5
68.99859	0.8
69.03461	5.2
69.31799	4.9
70.03775	0.5
71.01385	86.1
71.05012	1.2
72.01727	1.0
72.99303	4.4
73.02950	10.5
75.00888	1.4
78.95918	1.0
80.02677	2.9
81.03468	5.7
83.01386	6.4
83.05032	8.7
84.02164	2.5
85.02962	14.1
85.03468	1.1
87.00885	11.9
87.04518	0.7
89.02451	30.6
89.23307	0.4
91.04018	0.7
93.03458	1.4
95.01390	5.0
95.05041	3.3
96.96009	2.2
96.96992	0.6
97.02963	16.0
97.06609	4.7
98.20734	0.6
99.00875	4.8
99.04539	1.2
101.02452	30.6
102.02794	1.0
106.04250	1.2
107.05051	1.0
109.02963	1.2
109.06612	10.5
110.03775	1.7
111.00907	1.6
111.04540	2.3
111.08154	3.9
113.02463	18.5
115.04012	0.7
119.03526	7.6
119.08672	0.7
121.02978	0.9
121.06628	1.4
123.04543	3.0
123.08203	2.1
125.02464	13.2
125.06102	1.9
125.09743	8.0
127.04053	0.7
127.11285	3.7
129.01968	0.7
131.03551	2.1
133.05061	0.9
133.10243	0.7
135.08186	2.3
136.05371	0.6
137.02481	1.1
137.06078	0.7
137.09727	3.9
139.04056	1.2
139.07693	2.5
139.11339	1.0
141.01936	2.8
142.02736	1.2
143.03503	6.5
145.10283	0.8
149.04613	1.2
149.09723	1.7
151.11322	2.2
153.09210	1.4
153.12868	1.2
155.10814	2.8
157.12413	0.6
161.04588	8.1
161.09761	1.6
163.11307	18.4
164.11670	1.1
165.09193	1.4
165.12866	8.8
167.03505	1.6
167.10812	1.8
169.05167	0.6
169.12352	2.1
171.10284	56.0
172.10625	2.9
177.12892	0.6
179.05624	9.7
179.10727	2.6
179.14490	1.4
181.12332	6.8
183.10295	1.3
183.13927	1.6
185.04568	1.6
185.11833	8.2
186.12178	0.6
189.09200	1.9
189.12952	0.7
191.10782	1.8
191.14406	2.9
193.12434	1.3
193.15909	1.0
195.13921	0.7
197.11847	13.5
198.12216	1.3
199.06227	0.6
199.09802	1.4
199.13327	0.9
201.11333	36.0
202.11717	1.9
202.76399	0.5
203.05643	1.2
207.10271	29.8
208.10612	1.5
209.11836	86.4
210.12184	5.8
211.13405	5.0
215.12917	4.6
217.07220	1.5
221.06676	4.5
221.11977	0.7
223.09833	0.9
223.13431	1.6
225.11322	58.0
226.11700	4.0
227.12897	15.2
228.13269	0.8
235.08237	11.5
236.08493	0.7
237.11380	0.9
239.12904	0.7
243.12314	5.9
245.19112	5.6
246.19418	1.1
247.20633	3.7
251.92023	0.6
253.09230	3.1
263.07748	1.7
263.20187	1.8
273.18579	1.8
281.21298	0.5
287.07764	1.8
289.18085	20.9
290.18451	2.1
291.19656	43.4
292.20038	4.8
293.21234	1.9
299.14960	0.6
305.08896	2.8
307.19171	15.6
308.19525	1.9
309.20718	100.0
310.21051	10.2
323.09915	2.0
325.20242	0.7
333.20822	0.8
351.21985	0.6
379.12469	5.7
397.13507	57.0
398.13748	5.3
405.18631	0.5
415.14575	25.7
416.15067	2.4
439.14572	4.0
443.19345	0.5
457.15573	2.1
475.30612	0.8
493.31717	1.3
517.31482	0.7
527.29218	0.6
551.23285	1.2
569.24670	1.6
605.24591	5.8
606.24756	1.1
607.26392	0.8
623.25708	8.5
624.26202	1.8
641.26526	1.0
689.34424	1.8
707.34778	2.8
897.45062	1.0
915.46271	11.4
916.46307	4.6
933.47449	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	937.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97511	1.9
69.03458	2.3
71.01012	4.1
71.01389	67.0
72.01709	2.6
72.99297	2.9
73.02924	5.8
75.00861	2.2
78.95898	3.0
81.03445	3.5
83.01382	6.6
83.05011	3.1
83.39632	2.3
85.02959	10.6
87.00877	7.0
89.02446	25.9
95.01389	2.2
97.02953	12.0
99.00877	7.4
99.92578	6.8
101.02449	24.8
106.11829	1.8
106.48338	1.9
109.06602	28.0
110.03724	1.8
111.00816	2.2
113.02445	15.0
116.92873	66.4
117.92872	3.4
119.03506	7.0
121.06593	2.1
124.52471	1.8
125.02463	13.6
135.08188	4.4
137.02347	2.0
143.03488	6.0
161.04588	6.8
161.09645	2.6
163.10020	2.9
163.11292	18.9
171.10289	3.4
179.05609	11.2
181.12321	5.4
189.09290	2.6
199.09731	3.9
201.11290	2.4
203.07051	2.3
206.01241	2.2
207.10268	90.0
208.10664	3.5
209.11807	9.3
221.06734	3.9
225.11331	44.9
226.11554	2.8
235.08257	10.6
243.12318	3.8
253.09415	3.2
277.21719	100.0
278.22244	10.2
287.07672	3.5
305.08743	3.3
306.20889	2.6
328.10519	2.2
358.53769	2.2
379.12476	6.8
397.13507	77.7
398.13748	5.2
415.14661	22.2
426.69867	2.1
483.86960	2.4
536.73993	2.1
605.24390	5.8
623.25482	6.5
866.43970	2.7
883.47235	51.8
884.47754	24.9
885.47778	3.3
911.63538	2.5
949.58002	2.2
965.50555	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	931.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99815	0.2
69.03460	0.7
70.61459	0.7
71.01384	0.2
78.95947	0.3
80.05082	0.4
81.03475	0.6
83.01394	5.2
85.02985	0.3
88.98783	0.3
89.02478	0.3
93.03476	1.8
94.06634	1.5
95.01409	0.5
95.05045	0.7
95.13108	0.2
95.88091	0.2
97.02968	1.4
101.02454	0.2
105.03471	0.6
106.06638	1.4
107.01391	0.4
107.03786	3.0
108.02172	1.2
109.02966	7.9
110.03352	0.3
117.86852	0.2
119.05043	0.4
120.04581	0.5
121.02955	1.4
122.03785	0.4
122.06138	18.8
123.00954	0.2
123.04535	4.0
123.06483	0.7
124.01675	0.5
124.07706	0.9
125.02467	7.4
126.02758	0.4
132.04602	0.4
133.02954	0.4
134.06145	4.2
135.00920	0.2
135.04562	0.8
136.01695	0.3
137.02463	36.4
138.02766	1.3
139.02782	0.7
139.04022	1.9
145.03020	0.5
146.03751	0.2
147.04628	0.3
149.02452	7.0
150.03127	0.5
150.05621	0.8
151.00356	1.1
151.04034	3.6
152.07190	40.0
153.01886	0.3
153.07547	1.5
159.04532	0.7
160.04030	0.3
160.05283	0.4
160.07753	0.4
161.02487	2.0
161.04916	0.3
161.06094	1.2
162.03218	0.5
162.05559	0.3
163.00391	0.8
163.04030	0.7
165.01955	3.1
166.05029	0.3
167.03513	0.5
167.38579	0.2
173.04582	0.2
173.06007	0.3
174.05515	0.3
175.03987	0.8
175.07687	0.3
176.01146	0.8
176.07201	0.4
177.01967	0.9
178.02464	0.3
179.03513	1.2
187.03993	1.2
188.04697	0.7
191.03531	0.4
191.05577	0.4
197.10953	0.3
203.03441	0.5
203.07150	2.3
205.05096	1.9
212.10887	0.3
213.05606	0.5
215.07126	1.1
221.08316	0.3
221.10963	0.2
223.08737	0.3
224.09528	0.9
225.10333	0.5
227.07111	0.3
231.02971	0.3
235.08659	1.6
237.10323	5.7
238.10841	0.7
239.11908	2.1
245.08182	2.9
246.08340	0.3
247.06119	0.4
247.08723	0.3
248.09541	0.4
249.10347	1.3
250.07474	5.7
250.10115	0.3
251.08014	0.7
251.11861	0.9
256.09653	1.2
257.07986	0.3
262.07413	0.6
263.08203	2.1
263.11011	0.3
264.08685	1.2
265.09796	21.4
266.10144	2.1
267.11349	1.4
271.06082	1.6
275.08035	0.3
276.09027	0.5
277.09836	6.2
278.10437	1.5
279.11368	1.6
285.12497	0.4
288.08798	0.6
289.07181	6.5
289.09933	0.6
290.07510	0.6
290.10461	0.4
291.08121	0.3
291.11404	0.9
296.11752	0.4
297.12442	1.5
300.08752	1.7
301.06812	1.2
301.10162	0.3
301.13318	0.4
309.08868	1.2
329.12933	0.4
341.09415	0.9
342.09958	0.8
343.10666	0.3
355.10602	0.3
369.12488	0.4
370.12766	0.3
371.13956	4.9
372.14490	0.7
383.14050	2.6
384.13885	0.3
386.18719	0.5
388.16623	0.4
389.17551	0.4
397.13867	0.3
400.16855	0.5
402.18237	3.0
403.18549	0.3
412.16550	0.6
414.18402	0.5
415.12769	2.2
416.13358	0.4
422.12537	0.3
427.13251	0.3
430.17722	12.9
431.18030	2.0
442.17612	2.5
443.18079	0.8
446.17090	0.3
452.13571	1.4
453.13290	0.2
462.20224	2.0
463.20773	0.3
474.16522	1.7
476.18369	0.3
479.23007	0.3
487.17990	0.3
506.19525	1.5
507.19031	0.3
508.22083	0.4
518.20099	0.2
536.21600	0.8
552.21350	0.8
562.19635	0.3
565.24744	0.3
580.20898	5.2
581.21222	1.0
609.23700	1.0
624.19989	11.7
625.20276	2.3
628.23431	1.5
641.26154	2.1
642.26447	0.4
656.22559	100.0
657.22876	24.0
657.34515	0.5
658.23151	0.4
732.25641	1.3
733.25983	0.3
776.24829	6.5
777.25500	2.2
779.29456	0.4
808.27478	13.6
809.27893	4.5
899.31250	1.5
900.31146	0.3
931.33936	0.7
932.33093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	1.0
69.51490	0.8
69.51897	1.4
71.01385	1.3
73.02959	0.4
81.47080	0.3
83.01380	1.1
85.02959	0.7
87.00903	0.3
89.02462	0.6
92.66258	0.3
93.03464	1.0
98.19908	0.5
99.00911	0.3
101.02460	0.6
107.01398	1.7
108.02183	1.4
109.02971	2.9
113.02467	0.7
117.03425	0.2
119.05025	0.7
121.02953	1.7
123.04539	1.3
124.01666	0.5
125.02451	5.0
133.02959	0.6
134.03679	0.3
135.00963	0.5
135.04561	0.4
137.02428	2.7
145.02965	0.7
148.01703	1.3
149.02452	0.8
151.00372	7.8
151.04031	0.8
152.00816	0.4
153.01939	0.5
159.04544	0.4
161.02449	2.5
161.06076	0.7
163.00388	2.4
163.04005	1.8
164.01129	1.1
165.01903	1.0
168.50887	0.3
169.01411	0.6
171.21481	0.3
173.04622	0.4
174.03273	0.4
175.03970	0.6
177.01894	1.0
177.09128	0.3
178.06273	0.6
178.99857	3.5
179.03514	0.3
183.04520	0.3
185.06149	0.3
187.04015	1.0
189.05542	0.3
191.00000	0.3
191.03690	0.2
191.05559	0.5
193.08707	0.8
195.04935	0.3
199.03986	0.3
201.05498	0.4
203.03493	0.4
203.07129	0.5
205.01520	0.3
205.04919	0.7
209.11786	0.6
211.03990	1.2
215.03461	0.6
226.02699	0.8
227.03535	2.0
229.05061	0.8
231.02780	0.3
240.04112	0.4
243.02972	5.5
244.03537	0.7
245.04489	1.2
254.02219	1.3
255.02953	16.8
256.03482	1.8
271.02438	31.4
272.02838	3.6
273.03891	1.3
281.04306	0.4
283.02353	1.4
285.03821	0.7
287.05658	0.8
289.07053	1.7
299.02109	1.3
300.02728	65.2
301.03439	31.2
302.03775	2.4
307.70596	0.3
397.90182	0.3
406.21518	0.4
429.08078	0.3
447.09402	0.9
448.09540	0.3
479.22501	0.5
489.10315	100.0
490.10641	16.6
491.11435	0.4
641.26019	0.7
643.27924	1.5
761.28400	1.5
762.28937	0.4
779.29779	0.9
780.30005	0.5
805.30762	0.5
825.89160	0.3
931.33606	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	930.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	5.1
71.01393	9.6
78.95927	3.3
81.03461	3.2
83.01397	9.1
85.02978	3.2
88.98833	4.2
89.02470	3.0
93.03467	8.0
97.02948	6.6
98.19874	4.5
101.02467	3.5
107.01397	11.6
109.02943	12.5
113.02484	3.6
116.92841	3.4
119.05009	16.6
121.03001	5.0
122.03780	2.8
122.06125	17.3
123.04527	10.5
125.02463	33.4
126.02766	3.0
133.02951	3.5
134.06128	3.6
135.04527	8.0
137.02469	43.9
144.88216	2.4
145.02995	5.6
147.64542	2.5
149.02475	11.6
150.03134	2.8
151.00395	47.9
151.04030	7.7
152.00742	9.4
152.07202	29.5
158.61072	2.5
161.02448	10.5
161.06061	2.5
163.03961	3.4
164.01086	3.5
165.01900	8.3
169.01427	10.3
175.03963	4.4
177.01921	7.2
185.06006	2.8
187.04059	4.2
188.04619	2.7
191.03482	2.8
201.66113	2.3
203.03661	2.4
203.07164	3.8
205.05098	4.0
209.11842	15.5
226.91446	2.4
227.12877	3.4
237.10394	6.6
245.08189	5.9
250.07541	3.1
255.02850	2.8
265.09772	17.4
271.06113	26.3
272.06320	11.6
277.09772	6.1
285.03967	5.8
287.05585	7.6
289.07202	13.3
330.24030	2.9
343.91458	2.5
368.87952	2.6
371.13980	5.4
398.13480	3.4
402.18146	3.3
424.73840	2.7
430.17783	12.9
473.29913	2.6
578.88007	2.5
580.21033	4.6
624.19971	10.1
641.26550	8.3
656.22577	100.0
770.70355	2.8
776.25201	5.1
778.26874	4.5
808.27936	16.1
898.30084	4.1
899.31635	3.5
930.27307	12.2
931.28802	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	929.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	13.1
67.01904	0.5
68.99828	1.0
69.03465	4.9
69.76328	3.5
71.01392	1.9
81.03464	1.9
83.01390	12.1
85.02970	1.9
87.04536	1.3
88.98826	0.8
89.02469	0.8
93.03471	6.5
95.01402	4.4
97.02954	6.1
98.19953	1.0
107.01404	26.3
108.02185	1.9
109.02956	4.0
113.02493	0.8
116.92873	1.3
117.03516	1.8
119.05043	46.5
120.05390	1.9
121.02960	2.4
122.03629	0.6
123.00902	21.8
123.04544	1.9
124.01683	39.7
125.02467	64.2
126.02807	2.1
133.02963	1.2
135.01161	0.6
135.04553	1.3
136.01653	1.1
137.02464	8.3
137.09721	3.0
139.04031	1.4
139.07788	0.6
143.05063	2.1
145.02948	5.8
149.02460	2.5
149.99606	59.6
151.00392	96.4
151.03996	1.9
152.00691	3.1
153.01974	0.9
155.10802	11.1
156.11055	0.7
161.02449	2.0
161.06110	2.6
163.00343	0.9
163.04070	1.3
164.01115	1.2
165.01953	5.2
167.03539	4.7
168.00659	92.7
169.01436	21.0
170.01855	0.9
175.04161	0.7
177.01944	5.2
179.03505	1.9
179.10973	0.6
181.08763	1.1
184.05325	0.7
185.06061	4.2
187.04008	4.2
191.03546	1.9
193.01448	2.4
199.09787	4.9
203.07092	0.9
206.51662	0.6
209.11818	2.0
211.02493	1.2
213.11382	0.8
217.05077	0.5
227.07153	5.2
228.07465	0.6
229.05064	1.4
234.17329	0.6
241.10832	1.8
243.06633	1.0
255.12613	0.6
271.06100	68.6
272.06415	6.5
278.75089	0.5
283.11938	1.1
285.04025	0.9
287.05609	0.8
289.07245	1.7
289.10526	0.6
307.11774	1.5
313.05884	1.5
418.25504	0.6
469.17157	0.9
495.15201	2.3
513.16089	5.7
529.27704	0.7
585.18127	1.6
597.18152	1.0
621.72559	0.6
639.19281	1.2
641.74243	0.7
657.20544	19.8
658.20593	2.8
687.60541	0.5
777.26831	0.8
896.52417	0.6
897.30127	2.1
929.27374	100.0
930.27710	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	1.5
71.01385	17.0
72.99307	1.4
73.02937	2.7
73.77412	0.3
81.03437	0.7
83.01414	1.5
83.05006	0.5
85.02955	4.2
87.00877	4.5
88.98814	0.4
89.02451	13.2
95.01379	1.4
97.02970	3.1
99.00887	0.9
99.04542	0.5
101.01782	0.8
101.02448	12.9
109.02972	0.4
111.00923	0.3
113.02460	7.3
116.92870	0.3
119.03520	3.5
121.02968	0.3
123.04542	0.3
125.02453	6.1
131.03497	0.6
133.05070	0.3
139.03996	0.5
141.01958	0.5
143.03532	2.3
155.10759	0.3
161.04555	3.4
165.12871	0.4
167.14406	0.7
171.03239	0.3
177.92334	0.3
179.05617	3.9
183.13922	6.6
184.14359	0.4
188.65782	0.3
193.12367	1.8
199.06186	0.6
211.13397	100.0
212.13734	6.7
217.07144	1.1
221.06642	1.4
235.08232	5.2
253.09244	0.5
259.08328	0.6
275.20197	0.3
277.21710	61.3
278.22040	6.1
287.07809	1.6
291.23102	0.3
305.08871	1.8
319.22824	0.6
323.09857	1.3
377.23553	0.3
379.12469	12.8
379.17334	0.6
380.12762	1.1
397.13522	42.3
398.13834	4.6
415.14578	7.3
416.14969	0.8
526.46759	0.3
591.26660	6.3
592.27130	1.1
609.27771	5.2
610.28333	1.0
657.35327	2.3
658.35364	0.6
675.35999	3.9
676.36255	0.9
869.49164	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	1.9
67.01882	0.9
69.03439	1.5
71.01378	1.6
74.76351	0.4
76.03889	0.5
78.64079	0.5
78.95898	1.4
80.05083	1.0
83.01385	9.0
85.02978	0.8
87.00897	0.8
88.98794	2.2
89.02436	1.3
92.05065	0.6
93.03469	4.9
94.06619	3.0
95.01386	1.5
95.05002	0.5
97.02936	1.2
101.02533	0.6
106.06628	1.7
107.01411	1.2
107.03791	7.5
107.04959	0.6
108.02174	2.3
109.02969	7.5
113.02489	0.6
116.92862	2.0
119.05014	3.0
120.04546	1.4
121.02950	2.0
122.02447	0.7
122.03765	1.2
122.06135	36.6
123.00874	1.4
123.04532	6.2
123.06443	1.4
124.01659	1.5
124.07657	1.2
125.02462	12.0
129.01962	0.9
132.04611	0.6
133.02963	1.3
134.06136	8.4
135.04526	4.8
136.01668	1.2
137.02461	46.1
138.02843	1.7
139.02766	2.9
139.03908	1.1
145.02956	2.2
148.07663	1.3
149.02414	3.8
149.99573	0.6
150.03174	0.9
150.05586	2.5
151.00397	5.5
151.04021	3.5
151.05070	0.6
152.00870	0.7
152.07188	51.9
153.01962	0.7
153.07515	2.2
158.06131	0.7
159.04483	1.2
160.04047	0.7
161.02451	5.6
161.04665	0.8
161.06059	1.3
162.03230	0.9
163.00343	2.0
163.04002	1.6
164.01158	1.6
165.01874	2.5
166.04999	0.7
167.03513	0.8
168.00687	1.0
172.07674	1.2
173.04616	1.4
173.05974	0.9
174.05586	2.4
175.04034	3.6
176.01103	1.1
177.01941	1.8
179.03590	1.3
187.04120	1.3
188.04678	1.1
188.07202	0.6
191.03571	0.6
191.05658	1.2
195.06822	0.6
196.07646	1.7
198.09273	0.7
199.04030	0.8
200.07166	1.0
201.05571	1.0
203.03487	1.5
203.07219	1.1
205.05032	2.0
209.11824	7.3
210.05614	0.8
212.07181	1.4
216.06706	0.7
217.05055	0.7
223.06259	0.7
224.07143	1.6
226.05081	2.3
226.08604	0.6
227.03537	0.6
227.12854	1.5
228.06607	1.4
229.05005	0.7
235.08685	0.8
237.07936	0.6
237.10184	2.6
239.11890	1.1
240.06578	3.8
241.07408	6.2
242.08119	2.5
243.02934	1.1
245.04562	1.2
245.08235	0.6
247.06041	1.4
249.10239	0.7
250.07469	1.6
252.06496	1.1
255.02905	0.7
257.06815	0.8
258.07721	1.0
263.08032	0.8
265.09824	7.6
268.06073	3.0
269.04263	0.7
269.06918	1.2
270.07697	9.6
271.05945	6.2
272.06415	1.4
277.09833	1.2
279.15009	1.0
285.04019	1.6
287.05597	2.2
289.07108	2.5
289.10034	1.0
296.05646	0.7
306.07718	1.9
308.09167	0.8
352.07852	1.7
353.11935	0.7
359.18716	0.6
368.14276	0.6
370.15567	0.7
380.14496	0.6
381.11111	0.8
384.17627	0.6
396.13443	1.9
397.13498	2.0
402.12512	0.6
402.18015	1.4
407.07822	0.7
408.13644	0.7
409.14401	0.6
410.14868	0.7
419.20712	2.0
420.11258	0.9
422.11679	0.8
430.17569	2.0
436.16583	0.8
438.13983	0.8
449.14407	2.1
450.14337	0.8
460.12631	1.4
461.13684	1.0
466.17575	0.6
474.14410	1.0
475.15234	1.0
476.15927	0.7
489.17102	1.1
490.17523	1.8
502.17578	0.8
506.55457	0.6
516.15564	1.5
534.16425	1.3
535.17255	0.7
549.19220	0.7
561.21570	0.8
593.24280	1.5
609.21783	0.7
639.21521	0.8
653.22760	0.9
671.24860	0.6
681.99841	0.6
699.24774	13.0
700.24945	3.4
731.27228	6.3
732.27869	1.3
733.25110	1.1
743.23608	11.2
744.23901	3.1
747.26923	12.3
748.27179	3.8
765.27814	1.2
775.26483	100.0
776.26752	33.8
807.30823	0.7
833.28650	0.9
851.29749	6.3
852.29297	2.8
883.32507	3.4
884.32513	1.3
895.28625	21.5
896.28857	8.6
927.29590	5.4
928.30505	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	926.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	35.9
91.58496	16.2
94.77548	14.7
101.02483	22.3
111.73491	15.4
116.92865	19.8
209.11803	100.0
210.12228	34.8
211.12543	15.8
227.12897	15.5
229.74332	23.2
255.23289	34.1
256.23715	16.2
294.99020	14.8
304.47043	15.2
344.65836	15.4
379.12268	20.4
397.13385	49.1
399.13910	28.5
453.34103	33.3
454.33975	21.5
471.34705	34.1
472.35147	21.6
934.69232	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	926.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	35.5
88.98835	11.4
89.02437	18.4
98.02599	8.2
101.02501	9.3
104.71734	7.8
206.35605	7.2
207.10208	9.9
209.11853	100.0
210.12175	24.3
211.12302	11.8
225.11243	12.9
255.23253	36.5
256.23566	27.1
277.21674	27.6
397.13577	17.1
398.13989	12.2
399.13766	9.5
521.43854	9.1
523.35242	9.7
799.69080	8.9
926.49164	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	925.243
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.2
68.32030	0.1
69.03458	0.4
69.54129	0.8
69.54554	0.3
71.01399	1.2
71.41161	0.1
73.02937	0.3
81.03474	0.6
83.01389	0.3
85.02953	1.3
86.20572	0.1
87.00911	0.3
93.03463	0.8
95.01383	0.9
98.19888	0.3
99.00877	0.3
101.02463	0.5
107.01411	0.5
108.02188	30.3
109.02991	10.8
109.03553	0.1
110.03310	0.4
113.02460	0.5
117.03477	0.3
119.05040	0.9
121.02998	0.5
122.03736	0.2
123.00889	0.6
125.02471	0.5
131.95284	0.2
132.02197	3.5
132.93880	0.1
133.02997	2.8
134.03754	4.0
135.00900	0.6
135.04543	1.9
137.02466	0.5
139.04077	0.2
145.02963	0.5
147.04546	0.3
149.06073	0.8
151.00421	1.2
151.04027	0.7
152.01170	41.3
153.01964	11.6
154.02258	0.5
155.10779	0.5
160.01675	15.8
161.02464	12.0
162.02896	0.7
163.04062	0.9
165.01962	0.7
167.03517	0.4
173.04607	0.2
175.04019	16.1
176.04410	0.9
177.01949	0.4
177.05620	0.3
178.02768	0.3
179.03534	1.9
182.28093	0.1
187.00426	0.2
191.05661	0.2
193.05074	2.5
195.02974	0.2
199.09843	0.3
204.22919	0.2
211.03946	0.2
221.04492	0.3
225.04008	0.2
227.03513	0.6
228.04251	0.4
229.05003	0.4
235.06119	0.2
243.06622	0.7
255.03008	0.6
256.03531	0.2
271.06110	5.1
271.34305	0.2
272.06439	0.5
284.03217	1.1
285.03760	0.3
285.07642	0.2
300.02728	0.3
315.07211	10.2
316.07538	0.6
323.07657	1.5
337.09305	0.7
359.40561	0.1
433.11200	0.9
447.12692	0.6
459.09299	0.8
459.19186	0.2
477.19745	0.2
491.11905	100.0
492.12228	15.1
549.12488	0.8
550.13263	0.2
925.35394	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	13.1
73.02959	2.2
78.95911	1.9
80.02684	0.8
81.03456	1.3
83.01396	1.8
83.05029	3.3
85.02961	2.5
87.00883	3.5
89.02451	10.8
90.25404	0.6
95.01425	0.8
96.39202	0.5
96.72827	0.5
97.02989	2.0
98.20705	1.3
99.00884	0.8
101.01798	0.7
101.02455	10.0
113.02470	6.2
116.92876	2.9
119.03503	3.9
120.75498	0.5
122.16338	0.6
125.02484	6.8
126.02812	0.5
131.03555	0.9
135.08183	0.7
142.04869	0.6
143.03525	2.4
152.99562	0.9
161.04593	3.6
162.61340	0.6
163.11298	1.6
164.60213	0.7
165.12923	1.3
167.03505	0.7
179.05600	5.0
203.05664	0.6
209.11836	100.0
210.12190	5.3
217.07158	0.9
221.06705	1.4
227.12892	28.8
228.13266	1.7
229.47749	0.7
235.08234	5.8
253.09242	0.7
259.08273	0.9
261.94635	0.6
263.07675	0.6
268.60254	0.6
276.67487	0.7
277.21716	54.0
278.22073	5.5
287.07803	2.2
289.07147	1.0
305.08972	2.0
323.09875	3.1
379.12451	15.9
380.12726	1.6
397.13522	67.1
398.13910	6.4
415.14606	13.2
416.15115	1.3
471.34537	1.9
493.48117	0.6
542.08392	0.6
589.25006	6.0
590.25159	1.2
607.26093	5.3
608.26355	0.8
657.35236	4.1
658.35376	0.9
675.36261	7.8
676.36542	2.0
867.48120	2.9
868.47766	1.1
885.49329	1.0
921.46423	35.6
922.46844	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	925.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	0.2
71.01396	1.2
73.02938	0.3
78.95930	0.2
81.03465	0.5
83.01394	0.2
85.02956	1.2
89.02449	0.3
93.02943	0.2
93.03474	0.7
95.01397	0.6
97.02966	0.2
98.20659	0.5
99.00890	0.3
101.02461	0.5
107.01383	0.3
108.02184	28.5
109.02981	10.7
109.03570	0.1
110.03292	0.3
113.02447	0.7
117.03490	0.2
119.05026	0.7
121.03015	0.4
123.00906	0.7
123.04536	0.7
125.02464	0.5
132.02196	3.1
133.03004	2.2
134.03767	4.0
135.00908	0.8
135.04526	1.6
137.02461	0.4
144.13170	0.2
147.04453	0.2
149.06105	0.7
151.00383	1.0
151.04036	0.7
152.01167	38.5
153.01965	10.2
154.02277	0.5
155.10767	0.5
160.01675	14.8
161.02464	10.7
162.02811	0.5
163.04005	0.7
165.01938	0.7
167.03563	0.4
175.04013	15.2
176.04347	0.6
176.08354	0.2
177.05536	0.2
178.02686	0.4
179.03528	1.0
181.05038	0.2
193.05072	2.3
199.09819	0.3
217.05034	0.3
221.04443	0.3
225.04083	0.4
227.03496	0.5
229.04970	0.3
242.05811	0.2
243.06561	0.9
254.31070	0.2
255.02933	0.6
271.06088	4.3
271.08823	0.4
272.06360	0.7
284.03314	0.6
285.03998	0.2
285.07480	0.3
315.07196	10.2
316.07489	0.8
323.07751	1.4
337.09280	0.4
433.11472	0.8
447.13226	0.3
459.09210	0.6
491.11917	100.0
492.12271	13.0
549.12347	0.7
903.13239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28232	0.4
71.01385	12.0
71.65257	0.8
72.99319	0.8
73.02950	1.0
78.95908	1.2
80.02682	0.7
81.03469	1.3
82.95409	1.2
83.01396	1.2
83.05024	2.9
85.02956	2.0
87.00884	3.2
89.02448	10.3
95.01404	0.9
97.02969	1.6
99.00897	0.5
101.02459	8.6
101.03081	0.7
109.06573	0.5
113.02449	6.0
116.92912	1.1
119.03529	3.4
123.66293	0.4
125.02467	6.8
126.02853	0.6
131.03502	0.7
137.02463	0.4
141.01964	0.6
143.03537	2.6
151.04022	0.6
152.99631	0.9
161.02437	0.8
161.04547	3.6
163.11264	2.3
165.12880	1.6
171.10251	0.7
179.05646	5.6
189.46867	0.4
191.10873	0.7
196.05363	0.4
197.11894	0.6
209.11836	100.0
210.12180	6.8
217.07205	1.0
221.06612	1.2
227.12883	21.2
228.13278	1.7
235.08231	4.4
248.92804	0.4
253.09244	1.0
255.04248	0.4
277.21719	42.0
278.22064	4.6
287.07693	1.8
289.07129	1.0
305.08746	2.0
323.09808	3.1
341.10727	0.7
379.12442	15.1
380.12793	0.7
397.13507	54.3
398.13773	4.9
415.14581	11.1
416.14948	1.3
457.88287	0.6
471.34180	0.8
512.56433	0.5
548.35901	0.5
589.25104	8.1
590.25427	1.3
607.26215	9.7
608.26483	1.9
657.35547	2.8
675.36151	3.6
867.48145	2.4
868.48114	1.0
885.49603	0.8
921.46387	33.8
922.46924	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	919.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99841	0.8
69.03451	1.6
71.01383	100.0
72.01728	1.5
72.99317	2.7
73.02950	4.9
78.95916	3.2
83.01389	2.6
83.05046	1.9
85.02950	8.0
87.00866	6.3
89.02448	17.2
95.01392	2.4
97.02986	4.8
99.00896	4.0
101.02454	18.5
109.02992	1.8
109.06579	4.9
111.04504	1.5
113.02470	9.2
115.03951	1.2
119.03534	3.8
123.04552	1.1
124.02307	1.0
125.02450	8.7
125.09745	2.8
127.11309	2.9
130.51884	0.9
137.02469	1.5
139.04076	1.2
141.02013	1.5
142.02693	0.9
143.03511	1.8
144.25789	0.9
145.03041	1.1
152.99576	1.9
155.10797	2.0
160.04082	0.8
161.02452	1.1
161.04617	3.8
163.11342	4.3
171.10277	48.7
172.10606	2.5
179.05647	3.3
181.08701	1.0
181.12428	2.3
199.09775	10.2
199.13445	1.9
201.11319	12.7
201.34760	0.9
202.11713	1.1
207.10277	21.3
208.10583	1.3
221.06795	1.8
225.11301	14.1
226.12001	0.9
229.33784	1.4
235.08148	6.2
243.12387	1.6
277.21716	61.2
278.22098	6.9
287.07864	1.2
305.08914	1.5
336.81805	1.0
379.12595	5.0
392.19107	1.0
397.13525	38.9
398.13782	3.7
415.14560	10.1
433.63406	0.9
471.34763	1.6
544.73907	0.9
579.23199	2.1
597.24280	1.2
605.24634	1.6
623.25507	1.7
633.38281	1.3
675.35968	1.1
857.45746	2.2
883.47247	10.5
884.47839	3.7
901.48175	3.2
902.49164	1.5
919.49084	12.9
920.49884	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	919.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.8
69.44683	0.6
69.45087	1.4
71.01390	2.9
71.36818	0.2
72.99306	0.3
78.95908	0.7
80.38177	0.2
82.55264	0.2
83.01395	1.0
85.02963	1.1
87.00885	0.6
89.02467	2.0
91.01873	0.2
91.28352	0.2
93.03471	0.9
95.01398	0.6
99.00902	0.4
101.02446	2.1
107.01406	2.4
108.02189	1.8
109.02971	2.2
113.02449	1.5
117.03475	1.4
119.03541	1.2
119.05056	0.9
121.02972	3.3
123.04506	0.6
124.01669	0.4
125.02451	1.6
125.81541	0.2
132.02179	0.3
133.02942	0.9
133.05031	0.4
134.03763	10.3
135.00906	0.5
135.04568	1.3
136.01656	0.6
137.02454	1.3
139.04022	0.4
145.02975	1.4
147.00833	0.2
147.04530	1.5
148.01698	1.1
148.05281	1.1
149.02451	0.6
149.06134	1.9
151.00374	10.4
151.03920	0.6
152.01111	0.7
152.07077	0.2
152.99684	0.4
153.01918	0.8
158.03712	0.7
159.04520	0.4
160.01669	2.2
161.02469	2.0
161.04472	0.3
161.05927	0.3
162.02991	0.3
163.00388	3.1
163.03990	1.0
163.07689	0.4
164.01157	0.4
164.04686	0.3
164.33691	0.3
165.01933	0.4
169.01453	1.0
171.04736	0.2
173.04712	0.3
173.06082	1.2
174.03197	0.6
175.04010	4.4
176.04787	7.0
177.01958	1.6
177.03989	0.3
177.05437	0.4
178.02699	1.2
178.98433	0.4
178.99879	5.3
179.03514	0.4
181.05260	0.2
183.04536	0.4
187.03978	0.5
191.05618	0.4
191.07135	8.1
192.04288	0.7
192.07440	0.5
193.01344	0.4
193.05064	12.7
194.05420	0.6
195.49486	0.2
196.12151	0.3
199.03879	0.4
201.05547	0.4
205.05206	0.3
207.06618	3.3
207.10178	0.5
211.04074	1.5
215.03494	0.5
216.04312	0.4
217.05057	0.4
220.03766	1.5
221.04449	0.3
225.11392	0.3
226.02702	0.7
227.03508	1.9
229.04982	1.0
235.06096	14.7
236.06468	0.9
239.03442	0.4
243.02969	5.5
244.03477	0.6
245.04428	1.6
254.02196	1.1
255.02962	17.0
256.03445	1.6
257.04559	0.4
265.07104	1.9
266.01978	0.4
271.02448	30.2
272.02841	3.2
273.04034	1.2
283.02454	1.5
284.03183	0.4
289.07224	0.6
295.10635	6.9
296.10754	0.6
299.02097	0.8
300.02747	60.7
301.03479	48.6
302.03824	4.0
365.25458	0.3
399.13141	0.5
422.17682	0.3
447.09299	100.0
448.09610	13.0
448.15924	0.5
453.14774	0.5
461.10995	1.6
467.16132	0.2
471.15039	58.6
472.15366	7.9
472.20740	0.5
473.16632	0.2
477.10648	0.3
497.06094	0.3
505.20767	0.2
738.52173	0.2
919.32288	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99797	0.6
69.03464	2.6
69.33753	1.1
69.34171	2.9
70.34276	0.5
71.01382	39.3
71.05016	0.5
72.01731	0.7
72.29594	0.3
72.99299	2.9
73.02950	8.4
73.61694	0.4
75.00876	1.2
75.75127	0.4
78.95907	0.7
80.02676	1.7
81.03454	3.0
83.01393	4.0
83.05025	6.7
84.02163	1.0
85.02959	9.7
87.00877	8.4
87.23112	0.4
89.02449	22.6
90.02806	0.5
93.03488	1.1
95.01392	3.3
95.05026	3.4
97.02963	6.2
97.06596	1.4
99.00888	2.7
99.04528	1.0
101.02454	25.1
102.02795	0.7
106.04245	0.4
107.05043	0.8
109.02946	1.0
109.06600	5.7
110.03756	0.7
111.00891	1.1
111.04554	1.8
111.08175	4.3
113.02457	13.7
119.03506	6.6
121.02982	0.7
121.06641	0.6
123.00918	0.4
123.04518	1.1
123.08159	0.9
123.86961	0.4
125.02467	10.5
125.06104	1.2
125.09737	3.5
126.10103	0.4
127.11280	3.0
129.01968	0.4
131.03488	1.3
133.05080	0.8
135.08168	1.5
137.02422	0.7
137.09720	1.0
139.04060	0.5
139.07646	1.8
139.11320	0.9
141.01953	1.9
142.02702	0.5
143.03529	5.1
145.05080	0.8
145.10251	0.7
149.04591	0.8
149.09738	1.5
151.07632	0.4
151.11346	1.0
153.09258	0.8
153.12883	0.7
155.10757	2.4
157.12373	0.6
161.04565	5.9
161.09767	1.2
162.89377	0.6
163.11299	9.8
164.11624	1.0
165.09216	1.0
165.12889	2.1
167.03510	1.2
167.10764	2.3
169.12352	0.9
171.10280	39.7
172.10667	1.9
177.12932	0.8
179.05635	7.4
179.10786	2.6
179.14458	0.8
181.12376	4.6
183.10271	1.1
185.04564	0.6
185.11852	2.4
187.09718	0.4
189.09241	1.7
191.10808	0.9
195.13907	8.8
196.14449	1.1
197.11827	2.2
199.06151	0.4
199.09750	0.8
199.13432	0.6
199.95541	0.4
201.11330	36.7
202.11647	1.5
205.12355	0.6
205.15900	0.5
207.10258	17.2
208.10577	1.1
209.11829	71.8
210.12169	5.7
211.13371	1.1
213.11308	0.7
215.12860	3.2
217.07138	1.1
221.06609	4.0
223.13416	6.0
224.13727	0.9
225.11314	49.4
226.11702	3.5
227.12894	7.6
228.13347	1.1
235.08217	8.8
235.17058	0.7
243.12328	4.4
245.06549	0.5
247.20857	0.7
253.09369	2.3
256.13229	1.3
259.08026	0.4
263.07761	0.8
265.21622	0.6
273.18600	0.7
275.20139	6.6
276.20728	0.5
277.09268	0.4
284.89905	0.4
287.07785	2.0
291.16257	0.6
291.19647	35.6
292.20004	3.6
293.21213	100.0
294.21548	11.0
305.08704	2.8
309.20737	0.9
317.21078	0.5
323.09793	1.5
335.22275	0.5
377.12570	0.4
379.12576	4.7
397.13507	51.4
398.13840	4.7
415.14520	19.2
416.14682	2.2
439.14517	2.0
457.15692	1.9
477.32202	0.7
483.31146	0.7
501.32050	0.6
551.23706	0.9
569.24506	2.1
605.24438	5.6
606.24640	0.7
607.26599	0.5
623.25659	10.8
624.26154	2.2
641.26453	2.0
673.34869	0.7
691.35718	1.3
715.34119	0.5
830.39832	0.5
881.46002	0.6
899.46747	9.8
900.47437	2.9
917.48413	1.9
918.48132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99813	0.3
69.03459	1.8
70.96464	0.5
71.01382	17.8
71.05024	0.4
72.01744	0.3
72.99312	1.6
73.02953	2.5
75.00880	0.5
78.95910	0.5
79.68399	0.2
80.02675	1.4
81.03458	2.3
83.01396	2.0
83.05032	6.6
84.01719	0.2
84.02164	1.0
85.02441	0.2
85.02953	4.0
87.00880	3.4
89.02452	12.4
90.02850	0.2
91.04007	0.2
93.03467	0.5
93.07049	0.3
95.01410	1.6
95.05029	0.9
96.96001	0.7
96.96979	0.3
97.02962	5.0
97.06593	0.6
99.00880	0.9
99.04540	0.3
101.02455	12.6
102.02808	0.3
103.71690	0.2
107.05074	0.3
109.02989	0.4
109.06584	1.0
111.00861	0.2
111.04530	0.5
111.07455	0.3
111.08179	4.4
113.02460	6.8
113.03248	0.4
113.06096	0.2
114.02750	0.2
115.04095	0.3
119.03522	3.2
119.04998	0.2
121.03032	0.4
121.06552	0.2
123.04533	0.5
123.08174	0.3
125.02464	5.6
125.06091	0.8
125.09711	0.9
126.02801	0.2
127.03996	0.3
127.07657	0.4
127.11289	0.2
131.03502	0.6
135.08182	1.0
137.02382	0.2
137.09734	1.2
139.04071	0.4
140.77596	0.2
141.02013	0.3
141.09138	0.2
143.03519	2.5
145.05103	0.3
149.02486	0.2
149.04533	0.6
151.11284	0.2
153.12877	0.8
161.04587	3.6
161.09698	0.3
163.11302	5.3
164.11667	0.5
165.09163	0.2
165.12862	5.0
166.10158	0.2
166.13098	0.2
167.03513	0.4
169.12378	1.7
171.10283	3.8
175.11183	0.2
179.05618	3.7
179.10744	0.3
179.14403	0.3
181.05147	0.2
181.12335	1.7
183.13925	0.8
185.04544	0.3
185.11812	0.4
191.10812	1.1
191.14433	0.3
193.12436	0.5
193.16002	0.3
193.61874	0.2
195.13916	0.4
197.11838	20.8
198.12248	1.3
198.13844	0.2
199.06194	0.2
199.13432	1.3
201.11404	0.2
203.05626	0.3
207.10260	0.7
208.10786	0.3
209.11833	100.0
210.12175	7.4
211.13399	3.8
212.13733	0.3
217.07198	0.5
221.06712	1.7
223.13405	0.8
225.11386	1.3
227.12888	14.1
228.13292	1.0
235.08226	4.6
236.08661	0.4
247.20671	1.9
248.21036	0.2
251.12846	0.4
253.09271	1.2
259.08173	0.5
263.07678	0.6
263.20157	1.2
265.18048	0.7
273.18542	1.0
275.20279	0.2
280.13361	0.2
287.07663	1.5
291.19650	23.3
292.19998	2.8
293.21185	2.4
294.21710	0.3
305.08691	1.5
309.20709	75.7
310.21051	7.9
323.09949	1.1
325.20190	0.2
333.20697	0.6
351.21533	0.2
361.11322	0.2
379.12415	3.4
397.13519	39.3
398.13849	3.8
415.14581	13.5
416.14874	1.3
431.28140	1.3
485.32715	1.2
486.33087	0.3
501.32272	0.8
519.32764	0.3
577.25214	0.3
589.25372	0.5
607.26074	2.3
608.26068	0.3
652.18359	0.2
689.34039	1.4
690.34235	0.4
707.35120	2.3
708.35541	0.6
810.58612	0.2
811.73059	0.2
823.08057	0.2
899.46332	0.5
917.47308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73369	0.3
69.01858	0.3
69.03450	2.4
69.34001	3.1
69.98503	0.3
71.01382	46.8
71.05033	0.7
72.01725	0.8
72.99311	2.9
73.02947	7.2
75.00894	0.5
75.40963	0.3
80.02689	0.7
81.03445	1.7
83.01399	3.1
83.05029	4.1
84.02170	0.7
85.02953	8.0
86.00088	0.3
86.03322	0.3
87.00880	7.0
89.02450	17.7
90.02798	0.3
91.03987	0.5
91.64017	0.3
93.03474	0.9
95.01397	2.6
95.05039	2.2
96.90987	0.3
96.96018	0.4
97.02956	5.1
97.06591	0.8
98.20716	0.5
99.00890	2.7
99.04549	0.7
101.02454	19.2
102.02773	0.3
103.04031	0.3
107.05074	0.5
109.02956	1.0
109.06602	5.7
110.03745	0.4
110.06975	0.5
111.00887	1.2
111.04545	1.1
111.08175	4.4
112.98550	0.6
113.02459	11.4
113.06120	0.3
113.09682	0.6
114.02760	0.5
115.04005	0.3
116.92849	0.6
119.03517	4.6
119.04968	0.4
121.02945	0.5
121.10243	0.7
123.04558	1.0
123.08178	0.4
124.01746	0.3
125.02457	7.4
125.06094	0.6
125.09739	2.5
127.03972	0.4
127.11301	2.5
131.03497	1.3
133.05066	0.6
135.08179	0.9
137.02457	0.7
137.09752	0.5
139.04008	1.1
139.07649	1.3
139.11337	0.5
141.01952	1.4
141.09198	0.3
142.02698	0.4
143.03528	3.3
145.05048	0.7
149.04541	0.7
149.09692	1.1
151.11290	0.9
153.09198	0.6
153.12920	0.4
155.10809	2.0
161.04584	4.2
161.09738	1.1
161.13133	0.3
163.11305	6.5
164.11662	0.5
165.09206	1.2
165.12817	1.0
167.03508	0.6
167.10796	2.0
169.12364	0.7
171.10283	29.3
172.10634	1.3
177.12865	0.7
179.05621	5.9
179.10806	1.4
179.14465	0.7
179.40981	0.3
180.05905	0.4
181.12370	3.4
183.10277	0.9
183.13939	0.5
185.04573	0.6
185.11888	2.0
189.09190	1.6
191.10820	0.8
195.12083	0.4
195.13908	9.2
196.14362	1.0
197.11841	2.2
199.06044	0.5
199.09776	0.5
199.13390	0.4
201.11327	26.1
202.11674	1.0
203.05670	0.5
205.12376	0.6
205.16017	0.3
207.10262	17.1
208.10608	1.3
209.11833	39.2
210.12193	2.9
211.13350	1.3
215.12863	2.8
217.07230	0.7
219.05063	0.4
221.06676	3.7
222.06970	0.3
223.13390	5.7
224.13974	0.6
225.11319	36.6
226.11626	2.7
227.12897	5.1
228.13402	0.8
231.21268	0.4
235.08237	6.2
243.12350	3.9
244.12704	0.3
247.20670	0.7
253.09232	2.2
256.13080	0.8
263.07745	0.7
265.21594	0.4
273.18478	0.5
275.20157	7.2
276.20529	0.7
287.07883	1.4
291.19644	26.7
292.19968	3.4
293.21210	100.0
294.21564	10.9
294.24057	0.2
299.15408	0.3
305.08713	2.0
309.20679	1.1
310.20831	0.5
321.08151	0.4
323.09793	1.2
324.76437	0.3
328.22098	0.3
335.22202	0.4
379.12427	3.6
397.13510	37.0
398.13953	3.6
415.14551	16.6
416.14978	1.9
439.14648	2.7
457.15479	1.4
477.32294	0.5
487.34412	0.6
501.32019	0.6
551.23560	0.7
569.24573	1.1
587.23590	0.4
605.24579	3.6
606.24823	0.8
623.25714	4.7
624.26093	1.4
641.26691	0.9
673.34998	0.8
689.33826	0.4
691.35394	2.4
733.37592	0.6
830.40533	0.4
881.45361	0.5
889.49878	0.4
899.46649	8.1
900.47174	2.9
917.47156	2.7
918.47925	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	4.1
67.01871	0.7
70.59362	1.7
71.01387	1.6
81.03485	0.6
83.01388	3.1
85.02965	1.2
87.00896	0.7
93.03470	10.1
93.04019	1.0
95.01442	0.5
96.96075	0.5
101.02458	1.0
107.01405	10.3
108.02192	1.2
109.02950	3.4
111.04532	1.3
115.00379	0.5
115.40436	0.5
117.03493	0.6
119.01409	0.5
119.05037	13.2
120.05391	1.1
121.02969	6.5
124.01708	1.1
125.02457	4.3
131.05051	0.5
133.02998	1.1
135.00890	1.3
135.04552	0.9
137.02467	1.9
143.05042	1.5
145.02921	2.6
148.01724	1.3
149.02461	1.4
151.00383	35.1
152.00783	1.5
153.01953	0.6
155.03499	1.4
157.06589	0.5
159.04601	0.9
161.02452	1.6
163.00383	4.9
163.04007	7.9
164.01219	1.3
164.04358	1.0
165.01938	1.1
168.00642	1.0
169.01462	3.3
171.04469	0.8
173.04558	8.7
173.05994	1.1
175.00305	0.7
175.04060	1.5
177.01918	1.3
178.06377	1.7
178.99864	15.0
179.06938	0.6
180.00211	1.1
183.04530	1.0
185.06064	0.6
187.04016	1.1
188.66478	0.5
190.99815	0.7
191.05574	4.3
193.01489	0.9
193.08734	3.2
199.03970	1.6
201.01794	0.9
201.05566	0.9
203.03595	0.7
210.06863	1.7
211.04018	2.0
211.07629	12.5
212.07889	0.8
215.03508	1.4
216.04233	0.6
219.13950	0.6
226.02757	1.2
227.03484	4.8
228.03857	0.8
229.01370	0.5
229.05064	1.8
235.07600	1.0
237.09242	1.5
243.02969	10.5
244.03458	0.8
245.04379	3.0
254.02298	2.5
255.02962	29.3
256.03336	3.0
257.04498	0.9
265.08569	1.6
265.14508	1.0
266.02005	0.7
271.02463	58.4
271.06055	26.3
272.02908	7.9
272.06335	2.2
273.03891	2.4
283.02432	2.6
284.03259	0.9
285.03992	1.7
289.07236	1.1
299.01993	9.3
300.02737	100.0
301.03485	94.6
302.03912	9.0
309.07745	0.6
313.06955	0.8
327.08768	2.2
337.09406	1.4
415.06662	1.2
427.12091	2.7
427.19464	1.6
433.07657	44.6
434.08191	6.1
486.64285	0.5
489.10382	8.7
490.10736	2.3
491.11191	1.1
501.13916	1.3
513.06274	0.6
531.06915	0.6
570.22565	0.5
579.11194	3.0
580.11450	0.6
600.16864	0.7
634.21454	0.6
699.17169	4.6
700.17822	1.4
725.14490	2.3
743.16327	54.1
744.16565	14.6
851.57581	0.6
917.21631	16.4
918.21979	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	916.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	26.9
71.58670	13.5
71.79043	7.5
78.95905	40.3
79.95718	7.8
81.66642	6.3
83.05055	9.3
87.00899	14.6
89.02429	16.8
96.96955	10.3
101.02443	12.5
113.02481	7.3
125.02411	13.7
129.01990	18.1
152.99582	14.5
163.11330	7.7
175.06343	19.4
176.07021	6.8
209.11833	100.0
241.01228	16.5
277.21768	58.7
300.16083	7.9
333.32748	7.0
344.18549	10.1
397.13431	31.0
430.37396	7.9
471.34668	16.8
589.25293	7.5
652.04437	8.5
698.57831	9.3
790.80994	8.5
916.48663	35.1
917.48090	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	917.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	4.1
67.01871	0.7
70.59362	1.7
71.01387	1.6
81.03485	0.6
83.01388	3.1
85.02965	1.2
87.00896	0.7
93.03470	10.1
93.04019	1.0
95.01442	0.5
96.96075	0.5
101.02458	1.0
107.01405	10.3
108.02192	1.2
109.02950	3.4
111.04532	1.3
115.00379	0.5
115.40436	0.5
117.03493	0.6
119.01409	0.5
119.05037	13.2
120.05391	1.1
121.02969	6.5
124.01708	1.1
125.02457	4.3
131.05051	0.5
133.02998	1.1
135.00890	1.3
135.04552	0.9
137.02467	1.9
143.05042	1.5
145.02921	2.6
148.01724	1.3
149.02461	1.4
151.00383	35.1
152.00783	1.5
153.01953	0.6
155.03499	1.4
157.06589	0.5
159.04601	0.9
161.02452	1.6
163.00383	4.9
163.04007	7.9
164.01219	1.3
164.04358	1.0
165.01938	1.1
168.00642	1.0
169.01462	3.3
171.04469	0.8
173.04558	8.7
173.05994	1.1
175.00305	0.7
175.04060	1.5
177.01918	1.3
178.06377	1.7
178.99864	15.0
179.06938	0.6
180.00211	1.1
183.04530	1.0
185.06064	0.6
187.04016	1.1
188.66478	0.5
190.99815	0.7
191.05574	4.3
193.01489	0.9
193.08734	3.2
199.03970	1.6
201.01794	0.9
201.05566	0.9
203.03595	0.7
210.06863	1.7
211.04018	2.0
211.07629	12.5
212.07889	0.8
215.03508	1.4
216.04233	0.6
219.13950	0.6
226.02757	1.2
227.03484	4.8
228.03857	0.8
229.01370	0.5
229.05064	1.8
235.07600	1.0
237.09242	1.5
243.02969	10.5
244.03458	0.8
245.04379	3.0
254.02298	2.5
255.02962	29.3
256.03336	3.0
257.04498	0.9
265.08569	1.6
265.14508	1.0
266.02005	0.7
271.02463	58.4
271.06055	26.3
272.02908	7.9
272.06335	2.2
273.03891	2.4
283.02432	2.6
284.03259	0.9
285.03992	1.7
289.07236	1.1
299.01993	9.3
300.02737	100.0
301.03485	94.6
302.03912	9.0
309.07745	0.6
313.06955	0.8
327.08768	2.2
337.09406	1.4
415.06662	1.2
427.12091	2.7
427.19464	1.6
433.07657	44.6
434.08191	6.1
486.64285	0.5
489.10382	8.7
490.10736	2.3
491.11191	1.1
501.13916	1.3
513.06274	0.6
531.06915	0.6
570.22565	0.5
579.11194	3.0
580.11450	0.6
600.16864	0.7
634.21454	0.6
699.17169	4.6
700.17822	1.4
725.14490	2.3
743.16327	54.1
744.16565	14.6
851.57581	0.6
917.21631	16.4
918.21979	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	915.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	2.2
69.03444	0.8
69.35625	4.3
71.01379	1.1
72.42796	0.4
81.03451	2.6
83.01390	4.3
83.05031	0.8
85.02959	1.5
87.00894	0.7
93.03468	11.8
94.03790	0.5
95.05045	2.4
97.02965	4.1
105.03487	0.8
107.05054	1.1
108.02191	1.1
109.02964	17.7
111.00875	0.6
111.04517	2.0
117.03486	1.3
119.05034	8.5
120.05408	0.5
121.02969	4.6
122.03743	1.3
123.04538	12.0
123.05388	0.9
124.04869	0.5
125.02460	100.0
126.02818	3.3
131.05099	0.8
133.02974	4.4
135.04564	2.9
137.02458	22.0
138.02849	0.8
139.04047	2.8
141.99841	0.6
145.02943	2.4
146.03711	0.4
147.04567	1.0
149.02464	6.0
149.06039	0.5
150.03194	0.9
151.04036	13.6
151.05260	0.7
152.04387	0.8
155.03482	1.1
159.04539	2.6
160.05283	0.7
161.02464	28.1
161.06084	3.7
162.03116	2.7
163.00414	1.8
163.04053	7.3
164.01158	4.1
165.01976	5.9
166.02507	0.5
167.03543	2.6
171.04468	0.5
173.04573	28.8
173.05972	1.3
174.03223	1.0
174.04935	1.2
175.04025	9.6
175.07654	1.8
176.04355	0.5
177.01912	5.4
177.05634	0.7
178.02605	0.9
179.03493	5.7
180.04001	0.5
181.07106	0.5
183.04437	0.5
185.06108	1.2
187.04008	7.2
188.04756	3.6
189.05479	1.0
191.05598	9.6
193.05104	0.6
199.04004	0.9
199.07724	0.9
201.05525	1.4
202.06345	1.4
203.03532	1.8
203.07121	8.9
205.01480	3.2
205.05060	7.6
206.01591	0.4
211.04054	1.3
212.04652	0.9
213.05579	1.4
214.02652	0.4
215.03494	2.1
215.07043	0.6
217.05098	2.5
219.02884	0.8
219.06589	0.7
221.08217	2.2
225.05562	0.9
227.03514	2.5
227.07112	1.8
228.04301	1.3
229.05043	4.3
230.05675	1.5
231.02937	1.6
231.06627	0.6
243.02971	2.9
243.06628	1.2
244.03551	0.8
245.04526	6.6
245.08170	15.4
246.04851	0.7
246.08426	1.5
247.06090	1.4
253.05038	1.0
255.02960	11.3
256.03677	6.4
257.04431	2.4
259.06113	0.9
269.04538	2.0
271.06207	1.4
273.03940	4.2
274.04263	0.5
281.04575	4.3
283.02411	2.3
284.03226	0.9
285.03931	4.0
287.05597	13.7
288.02792	0.5
288.05969	1.4
289.07169	59.2
290.07559	4.9
297.04022	1.7
297.07565	1.0
299.05600	6.6
315.08624	0.7
321.07800	0.7
329.06543	1.2
331.08246	0.9
336.91107	0.4
337.09268	6.4
338.09619	1.4
339.08719	6.0
340.09015	0.8
341.06735	0.9
357.09833	0.6
363.08572	0.8
381.09656	1.4
389.06320	0.9
407.07706	64.2
408.07993	9.4
425.08765	81.7
426.09094	12.5
451.10300	21.4
452.10730	3.0
470.80035	0.5
559.12286	2.4
560.12946	0.5
577.13531	65.1
578.13885	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	914.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04050	9.3
69.32847	45.8
69.33276	32.4
71.01385	62.1
71.56833	7.8
78.95943	11.1
83.01402	28.8
85.03004	9.2
88.98823	12.2
89.02440	19.0
93.03485	31.2
97.02973	12.6
101.02460	17.6
107.01397	27.4
108.02198	13.0
108.69869	7.3
109.02993	46.5
109.06576	10.7
113.02442	16.1
118.25411	7.1
119.03536	8.5
119.05045	34.4
120.05397	8.2
121.02973	9.5
123.04509	22.2
124.13307	8.2
125.02464	82.6
135.04520	22.6
136.04942	8.5
137.02483	39.8
145.02972	9.9
150.03160	7.5
151.00381	100.0
151.03976	28.7
152.00882	12.4
153.01962	24.3
161.02509	14.1
163.11336	10.5
165.01944	30.5
169.01485	11.5
170.14104	7.9
175.04118	11.2
177.01945	20.1
191.05501	8.8
203.07210	9.0
207.10295	35.6
209.11890	86.0
225.11407	37.3
227.12935	19.0
229.05081	9.4
257.04596	9.0
270.28311	9.9
271.06012	67.2
272.06360	30.5
285.04013	15.6
287.05539	34.5
288.05817	12.8
289.07175	29.3
349.85004	8.5
397.13519	32.0
415.14996	12.6
545.00781	10.0
623.25879	10.0
764.53571	9.3
833.37952	22.7
834.39771	11.5
914.42084	14.7
915.37921	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	913.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	5.7
71.01382	44.1
71.05077	1.1
71.62740	0.8
72.99314	4.1
73.02946	7.6
75.00866	1.6
78.95918	1.8
79.74754	0.7
81.03456	2.4
83.01405	5.3
83.05023	4.9
85.02954	11.5
87.00877	7.8
89.02449	32.2
91.03973	0.8
93.03440	1.1
95.01413	3.8
95.05029	3.6
97.02959	7.2
97.06595	1.0
99.00887	2.6
99.04540	0.9
101.01775	1.7
101.02451	32.6
102.02791	1.2
108.02237	1.0
109.02982	1.7
109.06621	3.2
110.03780	1.4
111.00876	1.0
111.04523	1.2
111.08174	11.5
113.02460	18.1
118.78121	0.7
119.03524	8.7
119.04946	1.1
121.02949	0.9
121.10263	1.3
123.04515	1.5
123.08170	0.9
125.02463	16.2
125.09733	1.0
127.07641	1.0
131.03506	1.6
135.04489	0.8
135.11816	0.9
137.02460	1.7
137.09695	1.2
141.01944	1.4
142.02730	0.9
143.03526	4.4
149.09735	1.7
151.03989	1.3
152.99672	0.8
153.12872	0.8
161.04503	5.6
165.12753	0.8
167.10803	6.5
169.35811	0.7
171.10246	2.3
177.12854	7.5
179.05603	9.8
179.10811	4.1
179.14357	3.5
183.13887	1.4
185.04610	1.1
193.12299	1.5
195.13904	24.0
196.14301	1.5
197.11839	2.5
199.06104	0.9
203.10725	1.1
203.14384	0.8
205.12331	7.7
211.13425	4.2
213.14868	0.8
221.06807	5.0
221.11818	34.6
222.12186	2.2
223.13385	91.6
224.13756	5.9
226.43646	0.9
235.08249	9.1
237.14909	1.0
239.12875	61.6
240.13147	4.9
247.20633	2.2
253.09229	2.1
263.07831	1.5
275.20306	4.7
277.21860	0.8
287.07742	1.5
291.19647	100.0
292.20001	11.2
293.21198	72.8
294.21548	8.0
304.74683	0.8
305.08768	2.4
309.20563	1.3
323.09814	2.5
333.20990	0.9
379.12488	3.0
397.13513	54.4
398.13855	5.9
415.14581	24.3
416.14798	2.2
466.68039	0.8
469.33090	1.2
497.32828	1.7
515.33960	1.4
543.33453	1.1
584.74133	0.8
619.26361	4.3
621.27661	2.5
633.38654	1.1
637.27191	6.5
689.32941	0.9
806.28589	0.8
895.47528	1.0
913.48218	7.1
914.48456	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	909.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02391	0.6
65.00323	2.4
65.00633	0.3
65.03963	0.5
69.45235	1.9
69.45657	0.6
71.01385	2.1
72.99281	0.3
73.02961	0.5
75.00878	0.4
81.37955	0.3
83.01397	1.3
84.61711	0.3
84.83057	0.3
85.02959	1.1
89.02457	0.6
93.03465	100.0
94.03801	3.5
95.01395	0.4
101.02469	1.1
107.01397	4.5
108.02175	0.6
113.02467	1.0
117.03477	0.8
119.05041	13.5
120.05374	0.8
121.02972	0.8
122.03761	2.4
123.04543	0.7
125.02442	1.0
126.88313	0.2
132.02188	7.9
133.03021	2.2
134.03760	9.9
135.04585	1.4
136.01659	0.6
137.02458	92.5
138.02800	3.3
139.03954	0.3
145.02985	1.3
147.04539	0.4
149.06097	2.6
151.00380	17.4
151.03990	2.7
152.00749	0.4
155.10809	0.4
160.01672	43.1
161.02461	6.9
161.06012	0.3
162.02902	0.4
163.04068	0.3
164.01227	0.4
165.01959	0.9
169.01442	0.9
173.04550	0.6
175.00545	1.3
175.04010	55.4
176.04346	2.7
177.01962	2.8
177.05501	0.5
178.02719	0.9
179.03531	2.2
181.12378	0.3
185.06094	0.5
187.04025	0.4
191.05620	0.4
191.07227	0.5
193.01453	0.5
193.05072	10.4
194.05344	0.5
203.45529	0.3
210.23869	0.3
217.05023	0.7
227.07152	0.6
229.05005	0.3
235.06114	0.4
271.06100	80.7
272.06433	7.0
295.06168	1.2
307.08469	0.4
313.07272	1.2
322.06781	0.4
323.07736	6.3
324.08047	0.6
337.09286	55.2
338.09665	4.8
389.12555	0.6
433.11420	8.6
434.11780	1.2
475.12439	68.4
475.17871	2.4
476.12790	11.2
491.11893	0.5
741.83020	0.3
909.30768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	13.3
65.84651	0.3
69.03467	0.7
69.71832	2.1
71.01386	1.7
73.02948	0.7
75.00864	0.6
77.67443	0.3
78.95895	0.3
79.01933	0.3
81.03467	1.2
83.01389	9.2
84.68372	0.3
85.02945	1.6
87.00877	0.4
87.04533	1.7
93.03464	6.7
95.01395	1.2
97.02949	1.0
101.02467	0.8
101.41842	0.3
107.01395	25.2
108.02191	21.4
109.02975	13.2
109.06641	0.3
110.03291	0.5
113.02450	0.5
117.03471	1.3
119.05038	51.8
120.05380	2.1
121.02969	3.2
123.00879	0.6
123.04520	1.1
125.02458	7.5
133.02979	1.1
135.00905	2.6
135.04523	0.9
137.02483	1.5
137.09724	2.8
143.05042	1.7
145.02968	3.5
149.02463	5.4
150.03067	0.5
151.00383	94.2
152.01176	24.8
153.01958	12.8
154.02373	0.3
155.10791	9.7
157.06543	0.5
161.02458	0.4
161.06113	2.5
163.04019	0.9
164.04657	0.3
165.01953	4.3
165.05614	0.4
166.02711	0.3
167.03526	3.1
167.04962	0.4
168.03975	0.4
169.01434	2.5
169.12375	0.5
175.04008	0.4
177.01929	5.4
179.03500	0.5
179.10777	0.8
181.08704	1.0
184.05356	0.4
185.06093	4.2
187.04007	5.2
188.04590	0.4
189.01953	0.3
190.31755	0.3
190.49905	0.3
195.02975	3.2
198.06950	0.4
199.07848	0.6
199.09727	3.1
203.07115	1.1
213.11295	0.7
223.09705	0.3
225.04080	0.3
227.07118	6.3
228.07469	0.5
229.05066	1.0
241.10858	1.4
255.12389	0.5
269.00967	0.3
271.06082	100.0
272.06442	8.9
283.11777	1.3
287.05750	0.7
289.07123	0.5
325.13123	0.5
343.13852	0.5
401.36957	0.3
435.16824	0.6
448.20264	0.3
453.17471	0.7
479.15424	3.2
480.16446	0.4
497.16611	17.8
498.16907	2.4
509.16241	0.3
521.16431	0.7
535.17651	0.3
539.17584	4.3
551.18073	0.5
553.19220	0.5
569.18579	0.9
581.18811	7.3
582.19135	0.9
623.20319	0.6
641.20966	21.8
642.21149	3.9
913.27899	34.8
914.28204	11.2
947.66956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	0.9
68.08634	0.2
69.97972	0.5
69.98385	0.8
71.01380	0.9
73.02918	0.2
81.03457	0.4
83.01400	0.8
85.02957	0.9
93.02402	0.2
93.03465	1.4
95.01393	0.9
98.20649	0.3
101.02456	0.6
107.01407	2.3
107.80522	0.2
107.96566	0.2
108.02181	26.2
109.02980	13.1
110.03347	0.3
110.59586	0.2
113.02455	0.6
113.35447	0.2
117.03480	10.3
118.03798	0.4
118.72394	0.2
119.01378	0.2
119.05038	3.7
121.02959	2.5
123.00877	0.6
123.04555	0.5
125.02442	0.3
135.00885	0.9
138.12080	0.2
145.02966	38.4
146.03304	1.7
148.01717	0.9
149.02473	0.4
151.00380	10.6
151.04057	0.4
152.01164	46.2
153.01962	14.7
154.02295	0.8
159.04486	0.5
161.02490	0.8
161.06023	0.3
163.00389	3.2
163.04031	3.8
164.01138	0.3
165.01913	0.6
169.01434	0.5
175.03972	0.5
178.99872	5.3
185.06047	0.3
187.04001	0.8
190.99800	0.3
199.04005	0.3
201.05580	0.6
203.03441	0.6
207.03035	0.3
211.04071	1.0
213.05540	0.8
215.03531	0.4
216.04343	0.3
226.02753	0.6
227.03447	2.0
227.07156	0.3
229.05000	0.9
235.06062	0.4
239.03441	0.3
243.03008	4.1
244.03439	0.5
245.04562	1.5
254.02130	1.3
255.02962	15.0
256.03464	1.2
271.02457	28.2
272.02847	3.0
273.04050	1.1
282.01675	0.3
283.02444	1.5
299.02054	0.6
300.02747	59.5
301.03485	45.5
302.03845	4.0
307.08148	1.0
315.07205	18.8
316.07617	1.3
417.12033	0.5
447.09302	100.0
448.04837	0.2
448.09613	12.4
461.10855	96.8
462.11230	12.3
462.16135	0.3
591.76129	0.3
625.06000	0.2
922.39398	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98523	5.5
70.52477	2.5
71.01388	33.3
71.59306	3.7
72.25808	2.6
72.99318	4.2
73.02947	8.1
74.66508	2.5
78.95900	3.8
81.03477	3.2
83.05050	5.5
85.02956	10.7
87.00895	9.0
89.02462	21.4
94.47501	2.9
95.01417	2.9
95.05042	3.4
97.02966	6.6
101.02437	22.8
113.02471	9.5
114.04134	3.0
114.93430	5.3
116.92866	23.4
117.92845	2.7
119.03503	6.7
125.02447	16.7
143.03543	4.5
151.00381	3.6
161.04570	4.9
163.11409	3.1
167.03578	4.1
171.10286	30.6
172.10594	4.8
179.05632	3.7
197.11952	3.4
199.09665	3.5
200.51004	3.3
201.11311	71.3
204.40489	2.5
207.10278	8.3
209.11829	100.0
211.13422	3.0
212.13800	3.3
221.06822	3.1
225.11305	21.9
226.11583	5.6
227.12868	11.6
235.08263	8.0
268.35941	3.3
277.21719	74.9
278.22095	17.0
293.21243	5.3
379.12354	16.7
380.12509	3.5
397.13483	61.9
398.13651	8.5
415.14551	13.4
416.14914	4.7
487.34244	30.0
488.34341	4.7
581.24750	4.9
599.25024	4.1
607.25958	5.9
623.26263	4.2
678.74408	3.4
884.47815	5.2
903.51483	3.6
904.03241	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	901.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88959	0.5
69.03453	1.4
71.01385	100.0
71.05050	0.5
71.65311	1.0
72.01721	1.2
72.99318	2.2
73.02948	3.4
73.59143	0.5
75.00876	0.6
78.95905	2.7
80.91708	0.6
81.03461	1.6
83.01397	2.1
85.02950	4.0
87.00871	3.6
89.02443	11.4
89.37523	0.5
91.99286	0.6
95.01420	1.6
95.05018	0.9
96.96033	1.3
97.02955	5.4
99.00884	2.0
101.02462	11.7
101.89774	0.6
109.06613	8.0
110.03798	0.6
111.00902	1.3
111.04516	0.8
113.02457	6.4
116.92876	1.1
119.03523	3.0
121.02988	1.3
123.04549	0.8
125.02461	4.9
125.09753	1.8
127.11304	1.1
135.08223	1.0
137.05997	0.6
138.81833	0.7
141.01962	1.2
142.02710	0.7
143.03508	2.3
155.10733	1.0
161.04578	2.1
161.09805	0.7
163.11292	7.0
165.01988	0.9
165.05627	0.6
165.09239	1.0
167.03600	0.6
171.10289	15.2
179.05637	2.0
179.10802	0.7
181.12370	2.1
185.11848	1.4
189.09181	0.8
197.11810	1.4
199.09792	1.1
199.13434	1.3
201.11313	9.4
202.11617	0.8
207.10265	26.5
208.10641	1.1
209.11861	1.4
211.13577	0.9
215.12943	0.7
221.06735	1.3
225.11333	20.7
226.11650	1.5
235.08267	4.5
243.12431	1.9
253.09338	1.2
264.15610	0.6
277.21716	37.2
278.22107	3.7
287.07828	0.7
293.21362	1.0
305.08887	0.9
311.38870	0.6
323.09860	0.7
379.12430	3.8
397.08218	1.3
397.13510	25.2
398.13818	3.0
415.14487	6.6
439.14499	1.9
582.94312	0.7
605.24579	2.4
623.25592	3.5
624.26245	0.9
883.47260	11.3
884.47723	5.1
900.53107	0.7
901.47321	6.1
902.48798	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	901.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98546	0.2
68.99830	0.5
69.03451	0.9
70.06762	1.1
70.50185	0.2
71.01382	100.0
72.01711	1.8
72.99314	1.1
73.02949	3.4
73.08694	0.2
75.00859	0.4
78.95902	1.3
79.08809	0.2
79.95747	0.3
81.03452	1.4
83.01390	1.2
83.05038	1.1
84.02142	0.2
85.02958	4.1
87.00885	3.0
89.02449	9.7
93.03448	0.4
95.01387	1.1
95.05022	1.1
96.86031	0.2
96.96017	0.3
97.02959	4.1
97.06583	0.4
99.00893	2.0
99.04552	0.3
100.97593	0.2
101.01775	0.5
101.02450	10.0
106.04278	0.4
107.05060	0.4
109.02975	0.5
109.06597	8.9
109.14182	0.2
110.03753	0.7
110.06926	0.5
111.00893	0.7
111.04509	0.7
113.02454	6.3
115.04077	0.4
116.92862	1.7
119.03509	2.9
121.06618	0.5
123.00883	0.3
123.04514	0.4
123.08157	0.4
125.02452	3.9
125.06050	0.3
125.09734	1.6
127.11319	1.4
129.01886	0.3
131.03526	0.4
135.08177	1.3
136.05348	0.5
137.09750	0.3
139.04053	0.3
139.07672	0.6
141.01958	0.7
142.02737	0.8
143.03514	2.0
145.10268	0.3
149.04549	0.3
149.09669	0.4
151.07764	0.4
151.11324	0.3
152.78548	0.2
152.99648	0.2
153.09181	0.3
153.12851	0.2
155.10748	1.1
159.02925	0.2
161.04573	2.4
161.09741	0.7
163.11298	6.4
164.11673	0.6
165.09253	0.6
167.03467	0.6
167.10736	0.4
169.12411	0.2
171.10284	17.5
172.10631	1.0
179.05618	3.1
179.10779	0.7
181.12352	2.7
183.10245	0.3
185.11832	1.4
187.09764	0.2
189.09215	1.0
197.11894	1.1
199.09785	1.5
199.13412	0.6
201.11327	13.4
202.11641	0.8
203.05661	0.4
207.10269	24.9
208.10577	1.8
209.11891	1.0
213.11320	0.2
215.12910	1.3
217.07155	0.5
219.05075	0.2
219.46698	0.2
221.06683	1.7
221.11797	0.3
225.11324	23.2
226.11662	1.6
227.12833	0.4
235.08229	3.2
243.12338	2.3
245.06766	0.4
253.09248	0.7
259.08084	0.2
263.07764	0.3
277.21710	27.9
278.22021	2.8
287.07626	0.8
291.19720	0.2
291.23035	0.3
293.21210	0.5
294.21899	0.2
299.15079	0.5
300.37390	0.2
305.08728	1.0
306.08926	0.2
323.09869	0.6
379.12466	2.9
380.12762	0.4
395.25726	0.2
397.13504	18.4
398.13864	1.7
415.14548	5.2
416.14844	0.5
433.00571	0.2
439.14459	1.1
441.33987	0.3
443.19086	0.5
457.15811	0.4
461.20386	0.2
569.24518	0.6
587.23358	0.2
597.23743	0.2
605.24329	2.7
623.25714	5.4
624.25726	1.1
641.26587	0.4
675.36230	0.4
857.45209	0.3
883.47180	7.9
884.47534	4.0
885.48712	0.3
889.29980	0.3
901.47986	3.0
902.49011	1.1
936.73029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.2
71.01383	24.0
71.58994	1.0
72.99313	2.0
73.02947	3.1
75.82683	0.7
78.23596	0.8
78.30116	0.8
78.95911	1.4
79.95734	1.0
80.91668	0.9
81.03449	1.9
83.01396	3.0
83.05026	2.9
85.02953	6.1
87.00877	4.1
89.01923	1.4
89.02449	16.8
92.11707	0.8
95.01398	1.3
96.96011	2.0
97.02953	3.8
97.06601	1.3
99.00869	1.6
99.92587	1.0
101.02456	14.6
109.06590	1.7
111.04552	0.8
111.08228	1.8
112.98521	1.4
113.02450	8.0
113.09743	1.6
114.93439	1.5
116.92863	7.7
119.03485	2.5
121.02969	0.9
125.02454	5.9
131.03534	1.0
134.51212	0.8
137.02472	1.0
141.01968	0.8
143.03497	2.1
145.05060	0.8
151.04037	0.9
161.04614	1.4
163.11276	1.6
165.12856	6.5
169.12352	1.2
171.10284	1.9
179.05655	2.8
179.14383	1.0
183.13918	43.7
184.14236	3.6
195.13892	7.5
197.11833	4.2
199.13422	1.5
207.10219	4.7
209.11826	21.1
210.12190	2.2
211.13428	13.4
212.13731	1.5
221.06639	2.5
223.13342	4.8
225.11298	2.8
227.12845	8.1
235.08173	2.5
256.13187	1.0
275.20120	4.7
276.20621	1.0
277.21970	0.9
287.07724	1.0
287.16071	0.9
291.19598	2.4
293.21219	46.7
294.21609	5.2
295.22726	5.0
305.08890	1.0
309.20697	10.0
323.10080	0.9
348.49643	0.8
372.27103	1.0
379.12466	1.2
397.13516	21.7
398.13925	1.7
415.14297	6.1
451.82535	1.1
485.32648	2.8
603.26636	0.9
606.52740	0.9
607.25977	2.0
609.27789	1.1
625.27252	1.5
772.67999	1.0
901.48279	100.0
902.48657	32.0
919.06982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.483
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.9
71.01388	15.5
71.05015	0.4
71.65174	0.3
72.99307	1.8
73.02962	2.2
73.59048	0.3
75.00876	0.3
78.95924	0.4
80.02686	1.2
81.03463	2.0
83.01394	1.5
83.05029	6.4
84.02174	0.9
85.02954	3.4
87.00880	3.3
89.02453	11.9
93.03491	0.4
95.01390	1.4
95.05048	1.0
96.96024	0.6
96.96976	0.2
97.02961	2.2
97.06583	0.4
99.00890	0.9
100.36974	0.2
101.02457	11.1
109.06598	0.4
111.00883	0.5
111.04530	0.5
111.08159	0.7
113.02462	6.2
113.09769	0.3
115.04050	0.3
116.92871	0.5
119.03527	3.1
125.02460	4.3
125.06094	0.8
125.09756	0.4
131.03488	0.6
133.05157	0.3
135.08182	0.6
139.04047	0.4
141.02005	0.3
143.03545	2.1
147.11961	0.3
149.04533	0.3
161.04582	3.0
163.11301	4.7
164.11603	0.4
165.12875	2.6
171.10353	0.3
179.05614	3.7
179.14430	0.4
181.12358	1.0
183.13921	0.9
191.10814	1.4
195.13916	5.7
196.14462	0.6
197.11896	0.4
205.12323	0.7
209.11838	100.0
210.12172	7.3
211.13426	1.8
217.07143	0.4
221.06738	1.2
223.13396	5.1
225.14975	0.3
227.12895	11.8
228.13335	1.3
231.21211	0.5
235.08253	4.2
235.17111	0.6
243.88542	0.3
245.06734	0.4
251.12807	0.4
253.09274	0.9
256.13220	0.8
259.08298	0.3
263.07501	0.3
275.20108	4.9
276.20581	0.3
287.07693	1.1
291.19604	0.5
293.21219	99.7
294.21548	10.9
305.08807	1.4
309.20596	0.7
317.21375	0.4
323.09903	1.4
337.79156	0.3
361.11597	0.3
379.12433	4.5
380.13019	0.4
397.13519	39.3
398.13791	4.0
415.14560	13.3
416.14865	1.1
485.32513	0.4
503.34039	0.5
514.28888	0.3
589.25287	0.9
603.05322	0.3
607.25977	4.0
608.26404	0.7
673.34607	0.9
691.35681	1.3
692.35339	0.3
741.82623	0.3
902.50989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
67.27265	0.2
69.03436	0.8
71.01381	14.4
71.16721	0.6
71.17069	0.2
72.99303	1.6
73.02957	1.9
74.16881	0.2
77.71407	0.2
78.95884	0.3
80.02695	1.1
81.03445	2.1
83.01391	1.6
83.05032	5.1
84.02172	1.0
85.02939	2.9
87.00878	3.2
89.02447	11.6
93.03466	0.4
93.82327	0.3
95.01395	0.9
95.05029	1.2
95.48753	0.2
96.96004	0.9
96.96964	0.3
97.02955	2.3
97.06633	0.3
99.00877	0.7
101.02449	10.6
102.02757	0.3
109.06640	0.4
111.00900	0.4
111.08173	0.5
113.02459	5.9
116.92871	0.8
119.03500	2.5
121.02992	0.5
121.10260	0.5
125.02465	4.8
125.06041	0.4
131.03543	0.5
133.32945	0.3
135.08179	0.6
141.01907	0.5
143.03508	2.3
149.04572	0.4
161.04587	2.7
163.11278	4.3
164.11594	0.5
165.12901	2.5
167.03526	0.5
171.10257	2.1
171.68518	0.2
179.05592	3.8
179.14407	0.6
181.12393	0.6
191.10814	0.9
195.13913	7.1
196.14366	0.8
205.12364	0.7
205.15984	0.4
207.10292	0.3
209.11824	89.2
210.12149	6.4
211.13359	2.0
217.07196	0.5
221.06665	1.6
223.13390	4.9
224.13731	0.6
225.14890	0.3
227.12881	12.3
228.13365	1.2
228.61047	0.3
231.20908	0.3
235.08202	4.6
251.12854	0.3
252.13480	0.3
253.09276	1.1
256.13184	0.6
263.07721	0.4
265.21606	0.5
275.20120	6.4
276.20505	0.8
277.09180	0.3
287.07718	1.5
291.19693	0.4
293.21204	100.0
294.21545	10.3
305.08746	1.3
309.20660	0.9
323.09689	1.0
335.22043	0.3
379.12448	3.4
380.12970	0.5
397.13489	34.4
398.13824	2.8
415.14532	14.7
416.14764	1.4
421.30557	0.3
485.32599	0.4
501.32169	1.3
502.31906	0.3
503.33432	0.4
506.05743	0.3
513.28436	0.5
589.25018	0.5
607.25983	2.4
608.26672	0.3
654.27441	0.5
673.34399	1.0
691.35565	2.1
692.36932	0.5
901.46039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98522	59.2
62.99250	30.8
63.99239	60.0
64.56532	19.6
71.01382	46.2
71.29355	37.4
75.00838	24.0
78.91888	32.2
78.95908	100.0
80.96494	23.6
81.03426	27.3
89.02445	23.6
112.37608	18.4
113.02383	21.5
116.92854	33.5
120.48228	21.0
152.99586	29.5
207.10242	21.2
209.11940	28.0
209.96434	20.4
277.21707	36.5
291.19495	37.7
293.21231	38.2
351.98334	20.1
901.47083	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	900.5
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98530	38.1
62.99253	11.2
63.99258	19.5
65.03029	9.5
69.33995	100.0
71.01418	13.8
75.00906	9.3
78.95947	16.5
87.00925	14.2
101.02426	13.7
110.64818	10.8
116.92850	24.5
125.02443	13.2
144.56264	11.0
169.12366	16.1
171.10287	12.4
197.11809	15.4
211.13345	15.7
253.33943	12.0
277.21622	58.8
278.22171	21.9
280.90005	9.9
291.19641	11.5
310.21027	18.2
471.34326	13.2
900.47437	81.8
901.47083	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98533	17.4
67.05438	8.5
71.01380	36.6
71.34563	7.3
72.99337	7.8
78.95912	20.3
80.05888	7.7
85.02957	9.4
89.02426	13.8
98.19843	16.3
101.02449	35.9
116.92878	16.9
119.91152	7.4
125.02488	11.5
130.00592	8.8
138.84364	7.9
152.99588	13.0
169.12297	16.1
171.10295	25.5
197.11848	31.5
207.10448	8.7
211.13353	20.2
225.11400	16.3
235.82695	8.8
277.21667	64.0
278.22067	15.8
309.20706	11.0
327.97372	8.4
343.42514	11.1
364.44571	7.9
397.13535	22.4
456.86963	8.0
471.34576	28.1
472.35159	19.1
543.34515	8.3
590.53088	10.2
753.00665	9.0
881.68536	9.4
883.45593	9.9
900.46802	100.0
901.47333	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	5.1
71.01381	15.8
71.05005	1.4
71.65034	0.6
72.01683	0.5
72.99306	1.9
73.02938	2.0
75.00855	0.9
78.95904	0.9
80.96542	0.4
81.03467	0.9
81.40655	0.4
83.01381	1.6
83.05010	0.5
85.02950	3.2
87.00890	2.9
87.76568	0.5
89.02451	8.8
95.01390	1.1
97.02949	2.5
97.06599	0.7
99.00887	1.2
101.02454	9.4
108.02157	0.4
108.76978	0.4
109.02907	0.5
111.04572	0.4
113.02460	4.0
115.00372	0.4
117.53102	0.4
119.03483	2.3
123.08168	1.1
125.02442	2.4
125.09738	1.9
131.03558	0.5
141.80626	0.4
143.03497	0.8
151.11333	2.2
151.13805	0.4
153.12862	1.1
155.10806	0.5
158.46275	0.4
161.04562	1.2
161.09735	3.0
162.10175	0.4
169.12404	2.6
171.10181	0.9
175.02501	1.4
176.02989	0.4
179.05589	0.7
179.10823	4.5
197.11833	37.3
198.12161	2.2
207.10419	0.5
209.12039	0.4
211.13397	3.0
213.14774	0.7
221.06662	1.6
223.09750	0.9
223.13364	0.5
235.08212	1.4
241.10895	2.0
241.14445	1.3
251.13129	0.5
253.09195	0.5
277.21707	39.0
278.22018	3.7
293.21051	0.4
306.35422	0.4
309.20724	0.9
310.21133	0.6
390.44992	0.4
397.13544	2.2
415.14438	0.6
737.44843	0.8
781.44818	0.4
829.44775	0.5
881.46167	0.7
899.46716	100.0
900.47009	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	0.6
69.03446	2.0
71.01385	26.8
72.99294	2.6
73.02951	3.5
78.95901	1.1
80.02691	1.5
81.03440	3.3
83.01405	4.0
83.05031	6.0
84.02164	0.9
85.02956	6.5
87.00885	5.8
89.02448	18.6
93.03468	0.8
94.98086	1.7
95.01395	2.2
95.05039	2.1
97.02959	7.2
97.06604	1.2
99.00890	1.6
101.02451	17.1
107.05080	0.6
109.06606	13.4
110.03760	0.6
111.04544	0.8
111.08171	7.4
113.02454	10.4
119.03511	5.6
121.02986	0.6
121.06564	0.8
121.10207	0.6
123.04501	2.1
125.02451	6.8
125.06130	0.7
125.09715	0.9
126.90396	3.2
131.03540	0.7
135.08177	2.3
135.11821	0.7
136.05272	0.9
139.04019	0.7
140.49582	0.6
141.01918	1.9
142.02711	1.6
143.03563	3.1
149.09630	0.7
161.04565	4.0
163.11298	11.1
165.12828	2.2
167.10771	2.0
171.10254	1.8
177.12843	1.6
179.05620	6.6
179.10776	2.3
181.12325	2.3
185.04391	0.8
189.09116	0.6
191.10785	1.1
193.15993	0.6
195.13907	7.7
196.14247	0.6
197.11836	1.0
207.10265	37.8
208.10622	2.6
209.11824	100.0
210.12173	5.7
217.07162	0.7
221.06691	2.1
223.13376	2.5
225.11316	21.1
226.11646	1.3
227.10727	1.1
227.12881	14.9
228.13281	1.3
229.39635	0.6
235.08228	6.1
247.20630	2.8
253.09285	1.9
273.18597	0.8
275.20172	3.2
281.14133	0.7
287.07703	1.8
289.17941	0.7
291.19641	93.6
292.19980	9.1
293.21219	45.5
294.21634	4.6
305.08813	2.2
309.20825	0.9
323.09872	1.2
379.12408	6.2
397.13513	51.6
398.13800	3.2
415.14603	15.0
416.14972	1.6
461.20465	0.7
483.31384	0.7
487.34521	0.6
501.31674	0.8
589.24799	0.8
605.24597	3.9
606.25323	0.7
607.25940	1.8
623.26025	3.1
671.32745	4.4
672.33618	1.2
689.33978	7.4
690.34576	1.5
691.36334	0.8
881.45984	4.1
882.44330	0.6
899.46765	26.3
900.47412	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	898.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98532	19.6
71.01389	100.0
71.62245	11.0
71.62639	11.4
78.95911	18.7
85.02966	13.0
87.00899	12.3
89.02422	17.9
97.02937	10.9
101.02432	17.6
113.02447	10.2
113.19032	9.6
114.88084	9.5
125.02453	22.7
161.26642	10.3
171.10281	55.5
172.10600	16.0
207.10332	21.3
209.11865	21.3
210.08646	10.8
211.13509	13.0
225.11392	24.5
253.09146	11.7
253.21658	12.9
253.43605	8.9
255.23291	67.2
256.23523	25.9
263.54730	10.4
277.21680	62.6
293.21188	36.4
343.20856	16.5
351.02301	12.0
397.13528	45.3
398.13895	13.6
635.86841	10.6
862.49420	11.3
875.06134	11.4
898.48126	29.5
899.46625	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.4
69.03451	4.0
69.28992	4.7
71.01383	15.4
71.05016	2.5
72.99310	1.9
73.02952	2.5
75.00888	0.6
78.95924	1.2
81.03458	0.5
83.01398	1.3
83.05042	0.8
85.02948	3.2
87.00884	2.8
89.02450	9.4
95.01398	1.3
97.02940	3.1
97.06594	0.7
98.20617	1.1
99.00897	1.4
101.02444	9.2
109.02951	0.5
109.06623	0.4
111.00932	0.5
111.04546	0.7
113.02477	4.0
116.92924	0.5
119.03524	1.8
123.08151	0.7
125.02450	3.1
125.09742	1.7
127.49522	0.4
137.09827	0.5
143.03444	0.9
151.11314	1.6
152.99533	0.6
153.12889	1.7
161.04602	1.3
161.09708	2.4
169.12328	1.4
171.10275	0.5
175.02570	1.0
179.05676	0.9
179.10782	4.9
197.11835	59.2
198.12173	3.0
207.10194	0.5
209.11880	0.5
211.13397	1.5
212.65820	0.4
221.06664	2.6
223.09738	1.3
235.08215	0.9
239.12897	0.6
241.10748	3.1
253.09261	0.7
277.21710	19.5
278.22168	2.2
291.19739	1.1
293.21341	0.6
302.25754	0.5
309.20529	0.7
310.20612	0.6
311.21057	0.5
348.24667	0.5
397.13583	1.8
403.46130	0.5
469.33466	0.8
639.24835	0.6
881.46619	0.8
899.46698	100.0
900.47021	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98530	30.0
71.01390	21.2
73.02967	10.6
85.02985	15.1
88.98815	28.1
89.02444	27.9
93.03512	11.9
101.02444	20.2
106.01829	10.0
107.01409	10.9
108.89658	9.1
109.02972	16.4
116.92879	24.9
119.05021	17.5
123.04502	16.0
125.02440	43.5
137.02449	27.3
145.02917	11.2
149.02415	9.3
151.00388	16.4
151.03999	21.6
161.02403	25.5
163.04088	14.4
165.01892	9.6
177.01978	10.8
191.05545	10.6
209.11888	100.0
210.12238	52.4
227.12878	19.9
271.06003	24.7
272.06396	10.9
289.07306	17.4
397.13528	15.7
398.62924	10.3
513.28674	17.4
514.29102	50.5
898.39063	39.8
899.41254	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	897.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	0.3
69.03413	2.6
69.14548	0.3
71.01382	16.1
71.05020	0.6
71.55970	0.5
72.99307	1.2
73.02936	2.3
75.00877	0.5
78.95922	0.6
81.03464	0.9
83.01378	1.8
83.05064	0.5
85.02950	3.2
85.06596	0.6
87.00877	2.9
89.02451	11.6
93.03413	0.3
95.01391	1.0
95.05043	0.7
97.02965	2.3
97.06600	0.4
99.00902	0.7
101.02448	12.1
109.02982	0.3
109.06610	0.7
111.04534	0.5
111.08191	0.5
113.02463	5.5
119.03513	3.9
121.02923	0.4
121.10186	0.4
125.02460	5.0
125.09694	0.4
131.03531	0.7
135.11809	0.3
137.02487	0.3
139.04028	0.4
141.01962	0.5
143.03496	2.5
149.04530	0.4
149.09738	0.6
155.03563	0.3
155.04770	0.3
161.04608	2.4
167.10762	3.1
171.10274	0.8
177.12820	0.8
179.05621	4.4
179.10808	1.0
179.14420	3.2
181.12370	0.3
195.12083	0.7
195.13907	14.9
196.14447	0.8
205.12314	7.6
205.16083	0.3
206.12685	0.6
209.11816	0.3
211.13388	0.9
219.47801	0.4
221.06656	1.7
223.13393	70.1
224.13773	4.4
225.14996	0.5
228.13605	0.8
235.08234	4.0
253.09253	0.7
256.13168	0.9
263.07776	0.4
265.21628	0.5
275.20157	5.8
276.20493	0.8
287.07837	1.5
291.19678	0.9
293.21207	100.0
294.21582	8.4
305.08701	1.6
309.20663	0.6
317.21283	0.3
323.09772	1.1
379.12473	2.8
397.13519	33.2
398.13788	2.8
415.14566	12.4
416.14917	1.0
488.96561	0.3
499.34058	0.9
588.67548	0.3
603.26563	5.5
604.26630	0.7
621.27716	10.5
622.28082	2.0
628.28186	0.4
634.59277	0.4
636.26324	0.5
673.34082	1.3
674.34821	0.4
691.35645	2.9
692.35968	0.8
828.42737	0.3
897.49091	2.4
898.49640	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98516	28.5
70.76133	15.9
70.76489	28.0
71.01403	59.9
73.02932	16.0
78.95930	30.1
80.13654	11.4
83.01367	14.2
85.02937	13.0
88.98823	60.3
96.96025	13.4
105.01955	13.9
108.02219	13.0
109.02951	29.6
111.57040	11.2
113.02451	18.0
116.92858	39.4
123.04537	21.4
125.02457	61.6
137.02423	29.8
151.00392	14.4
151.03970	15.3
161.02386	13.9
166.25392	12.3
171.10320	19.7
171.79048	12.2
206.32741	13.1
207.10255	20.1
209.11841	100.0
210.12242	37.7
211.13454	22.5
223.13397	41.9
224.13780	19.7
234.32248	11.9
254.07504	13.8
271.06033	35.1
289.07239	18.4
397.13660	15.7
399.13928	19.5
894.41724	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	895.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.4
66.99473	0.3
69.46266	2.9
71.01374	0.9
72.99288	0.3
73.02933	0.4
75.14886	0.3
81.52324	0.3
83.01408	0.3
85.02936	0.6
93.03466	0.9
95.01437	0.4
98.20604	0.6
101.02472	0.7
107.01395	1.0
108.02187	39.0
109.03028	5.7
113.02440	0.5
113.16862	0.3
119.05062	0.4
121.02971	3.1
123.04527	0.5
125.02461	1.6
125.89120	0.3
135.00879	0.6
135.04497	0.7
137.02452	0.5
140.45113	0.4
145.02942	0.5
148.01659	1.1
151.00383	5.1
151.03955	1.1
152.01167	24.7
153.01979	7.9
154.02277	0.5
159.04482	0.3
161.02473	0.6
163.00389	1.3
163.04051	1.0
165.01991	0.5
169.01466	0.4
172.05367	0.4
178.99898	2.0
187.07655	2.7
192.00542	0.4
197.38029	0.3
198.03331	0.4
201.05611	0.4
211.03906	0.7
215.07028	0.4
226.02696	0.9
227.03470	1.9
231.10242	1.0
243.02983	6.0
244.03287	0.5
254.02211	1.3
255.02980	17.4
256.03287	2.0
271.02451	36.3
272.02875	3.7
273.04147	0.3
275.09229	0.9
283.02496	2.5
284.02896	0.7
285.04047	2.5
286.04370	0.9
295.63510	0.3
299.02036	1.1
300.02753	76.8
301.03345	18.1
302.03787	1.3
385.12744	0.3
419.09833	39.7
420.10156	5.9
421.10825	0.4
431.09839	1.1
440.29416	0.4
475.08804	100.0
476.09177	15.3
477.09680	0.6
531.33130	0.4
585.20270	0.4
605.14886	0.5
619.16797	1.3
620.17401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98516	28.5
70.76133	15.9
70.76489	28.0
71.01403	59.9
73.02932	16.0
78.95930	30.1
80.13654	11.4
83.01367	14.2
85.02937	13.0
88.98823	60.3
96.96025	13.4
105.01955	13.9
108.02219	13.0
109.02951	29.6
111.57040	11.2
113.02451	18.0
116.92858	39.4
123.04537	21.4
125.02457	61.6
137.02423	29.8
151.00392	14.4
151.03970	15.3
161.02386	13.9
166.25392	12.3
171.10320	19.7
171.79048	12.2
206.32741	13.1
207.10255	20.1
209.11841	100.0
210.12242	37.7
211.13454	22.5
223.13397	41.9
224.13780	19.7
234.32248	11.9
254.07504	13.8
271.06033	35.1
289.07239	18.4
397.13660	15.7
399.13928	19.5
894.41724	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	891.4265
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94881	0.3
66.31149	0.3
69.03433	1.9
70.03850	1.3
70.04267	0.6
71.01381	12.7
71.05017	0.7
72.99342	1.4
73.02943	2.4
75.00897	1.0
78.95907	0.8
80.02711	1.6
81.03471	1.7
81.57130	0.3
83.01418	1.0
83.05025	5.4
84.02186	1.1
85.02946	3.0
87.00890	3.0
88.98808	2.4
89.02449	10.7
89.02992	0.6
93.03484	0.5
95.01420	1.6
95.05057	0.6
97.02965	2.0
99.00885	0.7
101.02449	10.0
101.03071	0.6
109.02989	0.6
109.06612	0.9
111.04520	0.5
111.08210	0.4
113.02458	5.8
115.04061	0.5
116.92859	2.2
119.03510	3.0
119.05051	0.7
123.04531	0.6
125.02456	6.1
125.03287	0.4
125.06097	0.5
126.02846	0.6
131.03561	0.7
133.05103	0.4
137.02473	1.4
139.04041	0.6
143.03525	1.4
149.02512	0.7
149.09723	0.6
150.03255	0.4
151.00424	0.7
151.04057	0.9
161.02467	1.0
161.04547	3.4
161.13454	0.4
163.11295	4.2
165.01942	0.6
165.12872	2.1
167.03494	0.7
167.10820	1.9
171.10303	0.8
179.05609	3.8
179.10799	0.6
179.14383	2.0
181.12427	0.8
191.10760	1.1
195.13921	5.6
197.11853	0.7
199.13542	0.4
201.11305	2.2
205.12366	5.7
207.10237	0.3
209.11826	100.0
210.12173	7.6
211.13374	0.6
211.27422	0.4
212.41933	0.4
221.06650	1.6
223.13380	57.4
224.13725	4.2
225.11418	0.4
227.12869	14.4
228.13239	1.2
235.08186	3.6
251.12869	0.7
253.09258	0.5
259.08142	0.5
261.14929	0.6
271.06021	1.3
272.06427	0.5
277.36734	0.4
287.07758	1.1
289.07043	1.0
305.08755	1.7
309.20633	0.8
323.09634	1.2
379.12408	6.7
397.13492	36.3
398.13818	3.3
403.43701	0.4
415.14548	8.2
416.14706	0.7
489.52722	0.4
579.01141	0.4
589.24921	2.0
603.26587	6.9
604.26099	1.1
607.25964	5.0
608.25940	1.0
621.27777	5.1
622.27832	0.8
625.26740	0.5
651.34082	0.5
795.37579	1.4
796.36859	0.6
813.39307	4.2
814.39203	0.7
891.38531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	5.4
67.80545	0.4
68.43976	0.4
69.03464	0.6
71.01384	17.7
72.99310	1.9
73.02959	2.2
75.00890	0.3
78.95914	1.4
81.03484	0.9
83.01391	2.0
85.02958	3.8
87.00877	4.5
89.02451	12.9
91.04040	0.4
95.01401	2.0
95.32600	0.4
97.02947	2.6
98.20745	0.8
99.00896	1.3
99.92599	0.5
101.02449	13.4
102.02779	0.5
109.02966	0.5
113.02458	7.5
116.92879	1.5
119.03519	3.3
125.02473	6.7
125.09711	1.6
127.11296	2.0
131.03502	0.7
133.64386	0.4
135.08340	0.4
139.04102	0.4
141.01961	0.4
143.03500	2.0
152.99561	0.7
153.09190	0.5
161.04541	3.6
171.10283	100.0
172.10623	5.3
179.05592	3.5
185.11879	0.5
199.06149	1.0
209.11858	5.3
210.12202	1.8
213.11357	0.9
217.07158	1.0
221.06653	1.3
235.08202	5.2
236.08478	0.5
253.09138	0.7
259.08130	1.1
263.07706	0.5
269.06683	0.6
277.21716	57.1
278.22052	6.6
279.23236	1.2
280.23624	1.4
287.07813	1.9
301.09235	0.6
305.08859	2.1
323.09802	1.3
341.10779	0.5
354.77106	0.5
379.12454	16.5
380.12906	2.1
397.13519	43.1
398.13898	4.9
415.14597	7.4
416.14883	0.8
430.90598	0.4
551.23315	6.1
552.23779	1.1
569.24353	5.5
570.24884	1.4
657.35468	1.9
675.35974	2.8
676.36707	0.6
744.44495	0.5
815.52771	1.5
829.46338	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69161	0.4
67.01926	0.5
69.03448	0.6
70.47500	0.8
70.47903	1.4
71.01410	0.5
81.03471	2.1
83.01389	4.9
83.04990	0.5
85.02951	2.2
86.02093	0.5
93.03465	1.9
95.01380	0.9
95.05040	1.8
97.02956	3.8
101.02454	1.0
102.09879	0.4
105.03491	0.5
107.05061	1.4
108.02190	1.1
109.02966	19.1
113.02409	0.7
119.05042	0.9
121.02986	3.3
122.03747	0.9
123.00903	0.5
123.04537	13.7
124.04895	0.7
125.02460	100.0
126.02782	3.5
131.05045	0.7
133.02991	3.9
135.04550	2.1
137.02460	22.7
138.02864	1.5
139.03995	3.3
143.65004	0.5
145.02956	0.5
146.03743	1.0
147.04521	1.1
149.02470	5.3
150.03171	1.3
151.04033	13.0
152.04375	0.5
159.04544	3.6
160.05301	0.9
161.02463	28.4
161.06076	4.9
162.03186	3.1
163.00388	1.8
163.04050	4.2
164.01163	4.0
165.01942	5.4
167.03503	2.1
167.20970	0.4
173.06134	1.2
174.03206	1.2
175.04015	10.2
175.07649	1.2
176.01074	0.9
176.04446	0.5
177.01952	5.6
177.05609	1.4
178.02618	0.8
179.03546	5.4
180.17296	0.5
185.06067	1.4
187.04030	8.1
188.04753	3.7
189.01976	0.6
189.05568	1.0
191.01932	0.6
193.05037	1.1
197.90439	0.5
199.04002	1.1
199.07547	0.6
201.05556	1.8
202.06323	1.5
203.03493	1.8
203.07133	9.5
204.04269	0.7
204.07538	0.7
205.01431	2.0
205.05058	6.9
206.05421	0.6
210.06825	0.6
211.03954	1.1
212.04671	1.0
213.05554	1.9
214.02588	0.8
215.03551	2.3
215.07071	0.8
216.04114	0.5
217.05147	1.7
219.03093	0.7
221.08253	1.7
225.05666	1.0
227.03545	1.9
227.07118	1.9
228.04285	1.5
229.05083	4.0
230.05714	1.1
231.03024	1.2
231.06613	0.8
241.04948	0.6
243.02936	3.1
243.06671	1.1
244.03535	0.9
245.04546	6.5
245.08202	15.8
246.04761	0.6
246.08606	1.0
247.06087	1.9
253.05052	1.3
255.02966	10.8
255.06781	1.0
256.03845	5.0
257.04477	2.1
269.04611	2.4
271.06119	0.7
273.04034	4.8
281.04514	4.1
282.01733	1.0
282.05017	0.6
283.02509	2.1
284.03152	0.9
285.04071	3.5
285.06909	0.6
287.05569	12.1
288.02930	0.7
288.05972	1.4
289.07172	58.9
290.07532	5.5
297.03952	1.8
297.07498	1.1
298.04745	0.6
299.05600	5.3
300.06046	0.5
313.06003	0.7
313.09341	2.0
315.08844	0.7
329.06696	1.8
339.08661	5.2
346.04074	0.5
381.09698	1.5
389.06610	0.6
407.07718	58.4
408.08081	8.7
418.09546	0.5
425.08765	70.9
426.09082	9.9
451.10312	17.2
452.10764	2.9
467.09964	0.7
483.14938	0.5
533.14258	0.6
559.12500	1.9
560.12915	0.6
577.13538	62.6
578.13837	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	889.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.68769	0.6
61.98829	4.8
69.03465	0.9
71.01389	18.7
71.52258	0.5
71.54879	1.2
72.99310	2.0
73.02959	2.6
78.95921	1.4
79.63744	0.6
81.03457	0.8
83.01408	2.4
85.02978	3.5
85.14014	0.5
87.00874	5.5
89.02451	13.7
93.03460	0.6
95.01404	1.8
97.02965	2.6
99.00915	1.2
101.02450	13.3
109.19663	0.6
113.02476	7.3
116.43182	0.5
116.92902	0.5
119.03551	2.6
121.02911	0.6
125.02464	6.7
125.09724	0.8
127.11283	1.5
131.03503	0.5
139.04059	1.0
143.03513	2.2
149.26598	0.5
152.99577	0.8
153.09221	0.7
161.04616	4.1
171.10286	100.0
172.10645	5.4
179.05644	3.0
197.11880	1.4
199.06175	0.7
205.51173	0.6
209.11714	1.1
210.11957	0.6
217.07176	1.6
221.06699	0.9
232.42735	0.6
235.08240	5.9
253.09317	0.8
259.08176	0.7
277.21722	66.3
278.22083	7.2
279.23611	0.6
287.07755	2.5
291.23407	0.6
305.08752	2.1
323.09824	1.7
379.12442	17.6
380.12866	1.9
397.13528	45.8
398.13748	5.0
415.14655	8.0
416.15167	1.2
499.13062	0.7
551.23553	3.4
552.23657	0.8
569.24628	3.5
657.35065	2.3
675.36066	4.4
676.36749	0.7
804.99182	0.7
815.52765	0.7
889.48688	2.7
890.47339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98545	0.2
62.99252	0.1
71.01408	0.1
73.47950	0.1
78.95937	0.2
80.96484	0.1
89.02431	0.1
106.92352	0.1
108.27126	0.1
111.99600	0.1
112.26429	0.1
148.29695	0.1
152.99634	0.1
162.50269	0.1
165.83012	0.1
171.10303	0.1
178.27278	0.1
183.14166	0.1
185.56107	0.1
195.13808	0.1
209.11932	0.1
229.57671	0.1
258.09430	0.1
277.21918	0.3
278.22009	0.2
279.23215	0.1
293.21286	0.2
366.05646	0.1
397.13712	0.1
409.33054	0.1
439.60245	0.1
794.51599	0.1
812.51324	0.1
886.48340	0.1
887.50299	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.97493	0.2
61.98824	1.5
69.03413	3.7
70.19141	1.2
70.42396	0.2
71.01385	14.4
71.05025	1.1
72.01723	0.4
72.99316	1.5
73.02938	1.9
75.00890	0.5
78.95916	0.6
81.03466	0.5
83.01393	1.4
83.05029	0.6
85.02960	3.3
85.06602	0.5
87.00890	2.8
89.02451	11.0
95.01402	1.4
95.05077	0.6
96.96011	1.8
97.02972	1.6
98.95596	0.4
99.00883	1.1
101.02459	11.0
109.02950	0.3
109.06606	0.4
111.00900	0.2
111.04549	0.6
111.08187	0.4
113.02467	4.7
115.92076	0.7
116.92878	1.2
119.03515	2.9
121.10249	0.3
123.08180	0.3
125.02469	4.0
125.09726	0.5
131.03508	0.9
137.09666	0.3
139.04007	0.4
141.01932	0.3
143.03510	1.5
149.04561	0.4
149.09738	0.8
153.09323	0.3
161.04568	1.8
161.13382	0.6
167.10791	4.1
167.48260	0.2
168.11127	0.3
171.10237	0.3
177.12878	0.9
179.05624	3.5
179.10809	1.6
179.14442	4.3
180.14777	0.3
187.11226	0.3
195.13916	12.5
195.15735	0.6
196.14204	0.9
197.11815	2.1
205.12329	10.7
206.12714	0.5
209.11743	0.4
217.07132	0.4
221.06679	1.4
223.13393	100.0
224.13731	7.7
227.12915	0.4
235.08226	2.5
253.09294	0.8
259.08353	0.2
261.41693	0.3
263.07651	0.3
265.14432	0.4
287.07681	0.7
291.19666	0.9
305.08789	0.9
309.20746	1.8
323.09860	1.0
341.11124	0.4
379.12445	3.9
380.12820	0.3
397.13507	24.2
398.13907	1.9
415.14581	5.0
416.14865	0.5
427.19720	0.3
429.26498	1.2
459.51154	0.3
575.27417	0.3
603.26581	15.7
604.26752	2.7
621.27753	17.5
622.28021	3.8
753.38666	0.3
757.37067	0.4
783.38019	1.1
809.39862	5.7
810.40076	1.7
827.41022	6.4
828.41101	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4671
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98829	6.0
69.34451	3.3
69.34880	2.8
71.01380	12.3
72.99302	1.4
73.02944	2.0
78.95923	1.9
80.91680	1.0
82.95464	0.8
83.05019	0.9
85.02959	3.4
87.00876	2.2
88.98769	0.8
89.02457	9.3
91.33303	0.7
95.01404	0.7
96.96025	4.5
96.96952	1.4
97.02956	2.1
97.06586	3.0
99.00879	1.2
99.04560	0.8
99.92609	1.4
101.02443	9.2
101.59126	0.7
113.02465	3.8
114.93386	0.7
116.92872	13.2
117.02022	0.9
117.92931	0.8
119.03516	1.9
125.02428	1.9
131.08240	0.8
143.03474	1.5
151.11296	9.4
161.04573	1.8
165.01935	0.9
169.12354	57.3
170.12701	3.4
179.05737	0.8
195.13925	3.0
209.11821	3.0
213.11354	7.9
221.06682	3.0
223.13402	1.5
227.12965	0.7
235.08163	0.8
253.09402	0.9
275.20132	0.8
293.21237	7.8
294.21664	1.1
309.20398	1.0
397.13458	2.7
415.14908	1.1
501.32318	0.8
514.29578	0.8
547.79358	0.7
611.25818	2.5
652.64917	0.8
704.01416	0.8
726.03290	0.9
865.75592	0.8
887.46765	100.0
888.46967	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	885.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	1.4
67.01906	0.2
68.99823	0.3
69.03456	1.0
69.79929	0.6
70.22636	0.1
70.28654	0.1
71.01385	16.5
71.05032	0.2
72.01712	0.2
72.98631	0.1
72.99311	1.5
73.02953	2.3
75.00890	0.4
78.95911	0.2
80.02679	1.2
81.03462	1.9
83.01393	2.2
83.05032	5.2
84.02184	0.7
84.05385	0.1
85.02957	3.9
86.00085	0.1
87.00887	4.1
87.04518	0.2
89.02454	11.7
90.02802	0.2
91.04032	0.1
93.03458	0.3
95.01400	1.4
95.05037	0.8
96.64272	0.1
97.02959	2.6
97.03559	0.2
97.06572	0.2
99.00881	0.9
99.04525	0.3
101.02456	13.1
102.02793	0.3
103.04058	0.1
106.04292	0.2
109.02963	0.4
109.06584	0.3
111.00887	0.3
111.04537	0.7
111.08202	0.2
113.02464	6.6
113.06106	0.1
114.02787	0.2
115.04042	0.3
119.03520	3.0
120.03844	0.1
121.03005	0.2
121.06630	0.1
123.00892	0.1
123.04516	0.2
124.01665	0.2
125.02467	5.4
125.06103	0.6
125.09727	0.2
126.02815	0.2
127.04030	0.4
127.07700	0.1
129.01947	0.2
131.03549	0.6
133.05101	0.4
135.08180	0.7
137.02452	0.3
139.04018	0.6
141.01974	0.3
143.03520	2.4
145.05095	0.2
145.71320	0.1
147.11816	0.2
149.02519	0.1
149.04564	0.3
151.60513	0.1
152.99721	0.1
155.03485	0.1
161.04573	3.0
163.11305	3.9
163.98541	0.1
164.11656	0.3
165.12862	2.3
166.13205	0.1
167.03500	0.5
169.05020	0.2
179.05629	3.4
179.07179	0.2
181.05086	0.2
181.12350	0.7
185.04518	0.2
191.10785	1.0
192.11108	0.1
197.11833	0.1
198.23747	0.1
199.06139	0.4
203.05708	0.1
207.10231	0.1
209.11838	100.0
210.12167	6.5
213.19868	0.1
217.07155	0.7
219.05052	0.2
221.06691	1.3
223.13506	0.1
227.12891	12.2
228.13210	0.9
233.06781	0.1
233.11900	0.1
233.22951	0.2
235.08223	4.8
236.08534	0.3
245.06662	0.3
251.12918	0.4
253.09290	0.8
259.08218	0.4
259.20737	0.3
263.07773	0.5
269.06842	0.2
275.20178	0.3
277.21719	48.5
278.22064	5.4
287.07767	1.5
288.08075	0.1
291.23318	0.4
301.09225	0.3
305.08810	1.9
309.20633	0.1
319.22867	0.3
323.09830	1.1
341.11063	0.1
361.11639	0.3
379.12460	6.3
380.12897	0.6
397.13519	37.5
398.13849	3.1
415.14575	7.8
415.20325	0.2
416.14948	0.8
471.34616	0.1
497.20523	0.1
523.72437	0.1
589.24841	0.5
607.26099	1.1
611.06226	0.1
657.35004	0.2
675.36578	0.7
676.36365	0.2
811.49097	0.2
885.48981	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4884
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.8
65.03972	0.1
67.01890	0.1
68.99818	0.2
69.03466	0.7
70.39560	0.1
70.39944	0.2
70.48146	0.1
71.01384	14.0
71.05005	0.2
72.01723	0.2
72.99310	1.3
73.02951	2.1
75.00871	0.3
78.95889	0.1
79.95757	0.1
80.02686	1.1
81.02985	0.1
81.03465	1.8
83.01390	1.5
83.05032	5.2
84.02170	0.9
84.05351	0.1
85.02441	0.2
85.02957	3.3
86.00114	0.1
86.03332	0.1
87.00881	3.2
87.04539	0.1
89.02452	10.5
90.02782	0.1
91.04030	0.3
92.69788	0.1
93.03472	0.2
95.01395	1.2
95.05035	0.8
97.02960	2.2
97.06605	0.3
99.00898	0.8
99.04530	0.3
101.02454	10.4
102.02777	0.1
103.00396	0.1
107.05045	0.1
108.02213	0.1
109.02972	0.3
109.06587	0.4
111.00913	0.4
111.04543	0.3
111.08192	0.1
113.02463	5.9
114.02771	0.1
115.04034	0.2
119.03521	2.5
120.03857	0.1
123.04543	0.2
124.01686	0.2
125.02461	5.5
125.06115	0.7
125.09732	0.2
126.02785	0.1
127.04012	0.1
127.07677	0.1
131.03516	0.5
133.05089	0.3
134.89467	0.2
135.08194	0.8
137.02454	0.2
137.09784	0.1
139.04031	0.4
141.01927	0.3
142.02814	0.1
143.03528	2.1
145.05089	0.2
147.11842	0.2
149.02501	0.1
149.04564	0.3
151.11263	0.1
159.02948	0.1
161.04575	2.8
162.04858	0.1
163.11304	3.8
164.11600	0.2
165.12852	2.7
166.13190	0.1
167.02277	0.1
167.03505	0.3
169.05075	0.1
171.03030	0.1
173.09671	0.1
179.05615	3.6
180.05894	0.1
181.12352	0.6
185.04510	0.1
189.03848	0.1
189.12883	0.1
191.10825	1.0
192.11314	0.1
199.06157	0.4
199.13322	0.1
202.72910	0.1
203.05705	0.1
207.10139	0.2
209.11836	100.0
210.12163	6.6
217.07150	0.7
221.06650	1.3
223.13408	0.1
227.12889	10.1
228.13216	0.6
233.11797	0.2
233.22890	0.1
235.08232	4.2
236.08527	0.2
245.06696	0.3
251.12909	0.6
253.09322	0.7
259.08212	0.5
259.20642	0.2
263.07687	0.4
269.06723	0.1
269.13950	0.1
275.20276	0.2
277.21716	39.2
278.22076	3.6
287.07706	1.5
288.08170	0.1
291.23318	0.2
301.09222	0.1
305.08820	1.5
306.09427	0.1
323.09854	1.1
324.10245	0.1
361.11301	0.2
379.12469	6.2
380.12646	0.4
397.13516	29.0
398.13858	2.5
413.18268	0.1
415.14584	7.3
416.15024	0.5
471.34320	0.1
497.20029	0.2
589.24969	0.6
590.25238	0.2
594.05652	0.1
607.26025	1.3
608.26831	0.2
657.34631	0.2
675.36456	0.4
811.49597	0.2
866.38489	0.1
885.47736	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	22.5
69.03467	1.6
69.43867	3.0
71.01382	21.2
72.01712	0.5
72.99304	2.0
73.02948	2.9
75.00872	0.6
76.69980	0.3
78.95907	1.2
79.95738	0.4
80.96526	0.8
81.03473	0.9
83.01389	2.6
83.05026	0.5
85.02951	5.1
87.00883	3.4
89.02451	15.2
91.97984	0.3
95.01376	1.9
97.02956	3.3
97.06577	0.4
99.00893	1.5
101.02454	14.5
109.02943	0.4
111.00888	0.4
111.04565	0.3
111.08179	0.6
113.02466	7.5
115.04024	0.4
119.03501	3.0
125.02457	4.5
131.03542	0.5
131.92139	0.3
139.03937	0.7
141.01993	0.4
143.03519	2.1
161.04572	2.3
163.11301	0.6
165.12852	6.9
167.03529	0.3
167.19693	0.3
173.15373	0.3
179.05571	1.8
180.56145	0.3
183.13911	69.6
184.14236	4.9
199.13397	0.7
207.10226	1.5
208.10559	0.6
209.11841	4.4
221.06622	2.6
225.00748	0.4
225.11334	1.1
226.11568	0.4
227.12877	6.8
228.13225	0.4
235.08182	1.8
277.21713	33.0
278.22104	3.7
379.12531	1.7
397.13538	9.8
398.13882	1.2
399.14371	0.4
415.14569	2.4
581.28265	0.4
607.26056	1.2
625.26984	1.9
705.41797	0.4
709.01874	0.3
811.50195	0.5
812.51044	0.5
885.48773	100.0
886.49115	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4863
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98828	100.0
62.98537	0.6
62.99263	0.2
63.99255	0.7
69.03459	0.6
70.83624	0.3
70.83968	0.3
71.01383	7.5
72.99306	0.7
73.02946	1.0
75.00864	0.1
76.82519	0.1
78.95927	0.3
80.96530	0.3
81.03446	0.2
83.01409	0.8
83.05018	0.4
85.02962	2.0
85.38670	0.2
87.00893	1.3
89.02448	5.3
95.01400	0.5
97.02962	0.9
97.06562	0.3
99.00884	0.6
101.02450	4.7
109.06605	0.5
109.43892	0.2
111.08176	0.3
113.02457	2.5
116.92870	0.2
119.03480	1.1
125.02473	1.3
127.04048	0.2
139.04041	0.2
141.01967	0.2
143.03535	0.5
152.99635	0.2
160.54311	0.2
161.04585	0.5
163.11287	0.4
165.12862	2.2
179.05620	0.8
183.13904	17.1
184.14258	1.2
202.63747	0.2
207.10294	0.8
209.11819	0.6
221.06682	0.9
225.11374	0.8
227.12904	1.2
233.22704	0.2
235.08208	0.8
263.07632	0.2
265.83734	0.2
275.20230	0.2
277.21701	17.6
278.22073	1.9
279.23181	0.3
295.21948	0.2
334.67673	0.2
379.12521	0.6
397.13574	3.5
415.14569	0.9
607.25800	0.4
625.27301	0.5
758.02307	0.2
867.46881	0.2
885.48767	38.4
886.49084	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	884.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.99250	0.1
64.27161	0.1
65.08820	0.1
71.01394	0.2
71.44572	0.2
73.02939	0.1
78.95923	0.5
89.02467	0.1
96.60501	0.1
97.02977	0.2
101.02467	0.2
103.96346	0.1
109.06610	0.1
113.02494	0.1
114.13123	0.1
125.02479	0.1
135.08199	0.1
152.99646	0.1
163.11438	0.1
174.98335	0.1
183.13939	0.1
190.49001	0.1
195.13957	0.2
197.11856	0.1
202.35695	0.1
207.10242	0.7
209.11902	0.3
225.11380	0.3
253.09467	0.1
259.55466	0.1
277.21838	0.3
279.23334	0.4
291.19772	0.3
293.21207	0.6
294.21738	0.1
305.21417	0.1
309.20853	0.1
397.13547	0.4
415.14572	0.1
477.33243	0.1
604.78552	0.1
681.94836	0.1
705.41632	0.1
724.42743	0.2
790.75336	0.1
810.50031	0.3
884.47375	0.2
885.48932	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98530	0.2
78.91902	0.2
78.95914	0.1
116.92870	0.1
118.94025	0.1
138.70934	0.1
151.67480	0.1
229.56259	0.1
240.21075	0.1
476.81784	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	884.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.80523	0.1
62.98528	0.3
62.99257	0.1
63.99255	0.1
70.02390	0.1
71.01393	0.2
71.58501	0.1
75.04710	0.0
78.95920	0.1
89.02451	0.1
101.02445	0.1
113.02480	0.1
143.91714	0.1
165.12968	0.1
176.87457	0.0
183.13928	0.3
187.30878	0.0
201.11295	0.1
207.10298	0.1
209.11861	0.1
225.11357	0.1
226.88225	0.1
235.08205	0.1
244.42249	0.1
253.09509	0.1
277.21671	0.5
293.21252	0.2
294.21738	0.1
295.22217	0.1
397.13464	0.1
398.14166	0.1
624.69464	0.1
665.72577	0.1
810.49951	0.1
884.48126	0.1
885.48962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98540	0.3
71.01394	0.5
71.57759	0.2
71.58120	0.2
72.99287	0.1
77.85397	0.1
78.95918	0.3
83.05089	0.1
85.02964	0.5
89.02443	0.3
89.11987	0.2
101.02470	0.5
107.91524	0.1
113.02479	0.2
119.03389	0.1
126.90441	0.4
152.99643	0.3
161.04590	0.2
171.10272	1.0
177.12872	0.2
183.13911	0.3
207.10240	0.2
209.11888	0.3
211.13403	0.8
223.66634	0.1
224.04883	0.1
225.11440	0.3
229.14531	0.5
235.08255	1.5
253.09297	1.5
277.21707	7.4
291.19678	0.5
293.21341	0.3
294.21661	0.2
308.19479	0.2
309.20645	1.1
327.21756	5.0
397.14008	0.1
513.31097	0.3
545.30011	0.6
563.30481	0.6
577.28918	0.2
587.43170	0.2
883.47034	0.2
902.20074	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	73.4
69.03461	1.6
71.01378	7.8
71.55750	1.3
73.02949	2.2
78.95905	2.2
83.01382	1.2
83.05036	0.9
85.02955	7.0
87.00879	2.7
89.02426	4.1
96.97005	0.7
97.02950	2.1
97.06594	1.1
97.57865	0.6
101.02444	6.2
103.81889	0.6
109.06601	0.9
113.02463	3.3
116.35149	0.8
119.03550	0.9
125.02467	0.9
125.09776	0.9
126.90462	4.1
127.11317	1.2
133.05103	1.1
137.09718	1.2
143.03542	1.0
144.02383	0.7
145.05077	1.8
152.99586	2.2
161.04565	3.0
171.10280	21.2
172.10622	1.2
179.05688	1.0
183.13882	2.1
197.11852	0.9
201.11337	1.3
207.10281	1.7
209.11848	1.8
211.13405	5.7
225.11285	1.6
229.14455	3.5
235.08223	23.8
236.08615	1.6
253.09273	23.8
254.09715	0.9
277.21716	100.0
278.22021	8.2
291.19687	2.9
293.21240	0.8
309.20721	10.2
310.21085	1.0
327.21747	58.3
328.22092	6.5
338.56573	0.9
397.13266	0.8
513.30469	3.5
545.29797	6.8
563.31171	4.1
564.31287	1.1
587.43115	1.7
589.88623	0.8
823.51141	1.1
824.51898	1.3
883.46094	1.8
884.48083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.2
69.03456	4.6
71.01382	12.1
71.05003	1.4
72.35179	0.4
72.76734	0.4
72.99301	1.7
73.02953	2.5
74.40431	0.4
81.03462	0.6
81.96936	0.4
81.99983	0.5
83.01400	1.3
83.05018	0.7
85.02958	3.4
87.00869	2.3
89.02455	8.7
95.01381	0.6
95.05042	0.5
97.02972	2.1
97.06598	0.9
99.00865	1.4
101.02452	8.4
109.02881	0.5
111.00840	0.7
111.04559	0.5
113.02479	2.9
116.92853	1.1
119.03493	1.1
123.08142	0.8
125.02432	1.6
125.09688	1.6
136.89261	0.5
143.03561	0.6
149.09714	0.6
151.11278	1.8
153.12845	0.7
161.04587	1.7
161.09795	2.8
179.05519	0.7
179.10806	5.1
197.11839	33.2
198.01880	0.5
198.12250	2.8
208.60570	0.5
209.11783	2.7
221.06665	1.1
223.09723	0.6
227.12643	0.5
235.08168	1.0
235.27864	0.5
241.10722	2.3
253.41229	0.5
255.23285	43.2
256.23648	4.5
269.24738	0.9
277.21655	0.6
291.19510	1.0
301.79987	0.5
397.13431	2.0
415.14728	0.6
639.25073	0.6
724.85919	0.5
857.59161	0.5
859.47015	0.6
875.29926	0.5
877.48315	100.0
878.48718	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	879.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	11.5
64.31369	0.5
68.99810	0.7
69.03447	1.6
71.01382	100.0
72.01730	1.3
72.99303	2.0
73.02936	3.8
78.95901	0.9
81.03469	1.6
83.01400	1.5
83.05052	1.2
83.90641	0.5
85.02953	4.9
87.00873	3.5
89.02449	13.6
95.01399	1.5
95.05044	0.6
96.64674	0.5
97.02956	5.9
98.03278	0.5
98.19828	0.8
99.00903	1.9
101.02454	12.0
105.57090	0.5
109.02915	0.6
109.06606	9.6
113.02460	6.9
119.03525	2.7
121.06614	1.0
125.02472	4.8
125.09757	1.2
128.22072	0.5
131.03535	0.6
139.04106	0.6
141.01929	1.2
142.02744	1.0
143.03555	2.0
155.10785	1.1
161.04567	2.1
161.09764	1.1
163.06511	0.5
163.11299	6.3
165.09268	0.8
171.10272	14.7
179.05614	3.3
179.10822	1.1
181.12378	3.0
185.11890	1.3
189.09225	0.8
197.11986	0.8
199.09814	1.3
201.11340	9.7
207.10255	28.1
208.10571	1.3
209.11868	0.6
214.34448	0.5
215.12923	1.6
221.06601	0.8
225.11337	19.8
226.11600	0.9
235.08197	3.8
243.12395	1.4
253.09210	1.3
255.23279	45.5
256.23648	3.1
277.21753	1.2
287.07742	1.2
305.08807	1.3
379.12521	4.3
397.13513	24.3
398.13983	1.9
415.14560	7.4
439.14523	1.5
605.24353	2.7
623.25848	2.9
653.38110	1.0
835.48700	0.7
861.48688	13.0
862.49542	5.8
879.49805	5.6
880.50433	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	0.8
61.98828	6.6
67.09208	0.7
69.03426	4.1
71.00988	1.1
71.01385	21.1
71.65228	0.9
72.99323	2.3
73.02950	2.8
75.00897	1.1
81.03456	1.4
83.01376	2.3
83.05013	1.3
85.02953	5.2
87.00879	6.8
88.98808	3.3
89.01916	1.1
89.02455	19.2
93.03424	1.1
95.01411	2.3
97.02969	3.9
99.00840	1.0
99.92619	1.1
101.02460	14.2
109.06577	0.9
113.02459	8.0
115.80960	0.8
116.92889	9.1
117.92891	1.3
119.03487	4.8
125.02454	8.8
137.02463	0.8
143.03499	3.2
161.02504	1.0
161.04532	5.0
161.13332	1.0
165.12846	1.0
167.10831	4.1
167.14336	1.0
171.10263	0.9
179.05603	5.0
179.10811	0.8
179.14413	3.5
180.06041	0.9
183.13936	8.6
187.11285	1.1
193.12340	3.1
195.13902	9.3
205.12357	8.4
209.11755	3.5
211.13406	100.0
212.13727	7.8
217.07082	1.2
221.06673	2.1
223.13399	85.8
224.13811	5.1
235.08293	4.4
236.08571	0.9
248.25240	0.8
253.09317	1.1
287.07611	0.8
289.07047	1.0
303.06921	1.0
305.08917	1.1
323.09735	1.5
357.41769	0.8
361.23514	0.8
379.12460	8.2
397.13544	37.2
398.13947	3.7
415.14471	9.0
417.26657	1.3
487.34207	1.2
488.34457	0.9
591.26904	7.5
592.26886	1.7
603.26587	12.2
604.27051	2.0
609.27753	10.2
610.28387	1.6
621.27600	14.2
622.28101	2.4
782.14014	1.0
797.40009	5.9
798.40631	1.8
815.40460	6.5
816.41406	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	871.473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	4.2
62.50211	0.5
69.03452	1.6
70.73474	1.6
71.01385	15.1
72.99303	1.4
73.02950	2.4
78.95904	0.9
81.03471	1.1
82.95611	0.6
83.01385	1.9
83.05036	0.6
85.02953	3.4
87.00871	2.2
89.02445	12.3
95.01399	1.4
95.05040	1.7
97.02957	1.8
97.06591	4.7
99.00887	1.4
101.02454	11.1
109.06548	0.6
113.02444	4.8
116.92881	2.5
119.03516	3.5
125.01504	0.4
125.02451	2.8
143.03493	1.1
143.05817	0.5
151.11290	12.2
152.99577	0.6
161.04590	1.1
169.12352	45.7
170.12714	1.9
179.05603	0.6
185.04514	0.5
195.10245	0.9
207.10233	0.8
208.92062	0.5
209.11758	0.9
213.11334	6.6
221.06671	1.8
225.11436	0.6
235.08177	1.5
246.67958	0.5
252.33771	0.5
269.07709	0.5
277.21710	33.9
278.22046	2.8
293.21558	0.7
305.08765	0.5
344.61642	0.5
392.97067	0.5
397.13446	3.1
421.50327	0.5
427.63046	0.6
474.24350	0.5
531.35864	0.5
611.25323	1.2
871.47229	100.0
872.47620	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5093
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98529	0.2
62.99244	0.1
71.23357	0.1
89.37423	0.1
242.64751	0.0
277.21848	0.1
279.23294	0.1
309.20892	0.1
697.52808	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	868.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98524	0.2
62.99255	0.1
71.01384	0.1
71.19498	0.0
78.95966	0.1
89.02436	0.1
98.96130	0.0
101.02522	0.0
105.24555	0.0
117.13075	0.0
122.94006	0.0
125.02540	0.0
143.05305	0.0
171.10390	0.0
179.05563	0.1
211.13402	0.5
253.09334	0.0
272.00977	0.0
277.21704	0.3
293.21283	0.1
294.21640	0.1
295.21936	0.0
379.12476	0.1
397.13486	0.2
489.87515	0.0
536.62177	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	5.9
69.03459	1.6
69.43690	4.3
71.01385	17.3
72.99305	2.0
73.02947	3.0
75.00859	0.7
78.95909	1.4
81.03444	0.6
81.50205	0.4
83.01382	2.0
85.02953	3.8
85.90232	0.4
87.00890	3.0
89.02448	13.4
92.68238	0.4
93.16442	0.4
95.01398	1.1
95.05039	0.8
97.02943	2.2
97.06610	2.1
98.20643	0.7
99.00889	1.1
99.98212	0.4
101.02451	11.1
111.04533	0.5
113.02464	5.9
116.92871	1.6
119.03516	2.7
125.02465	2.8
131.03529	0.7
136.89214	0.7
137.02422	0.8
143.03540	0.8
149.09741	0.4
151.11302	10.9
152.11633	0.5
152.99609	0.7
161.04593	1.9
169.12350	72.1
170.12677	3.5
171.10307	0.6
179.05681	1.3
183.13907	0.6
195.10246	0.7
201.92714	0.4
209.11865	0.7
211.13664	0.5
213.11330	9.9
214.11632	0.5
221.06665	3.9
235.08180	1.4
253.09236	1.3
266.75150	0.5
271.88528	0.4
275.20151	0.6
277.21722	17.5
278.22015	2.2
287.16550	0.9
289.18094	0.8
293.21194	2.5
305.17526	1.9
307.19513	0.5
332.65768	0.5
397.13641	2.6
415.14566	1.0
495.04395	0.5
593.25073	0.5
611.25543	1.8
871.47241	100.0
872.47528	31.4
872.64856	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	0.2
61.98825	6.2
65.00340	0.1
67.42574	0.1
69.03455	0.5
69.29018	1.5
71.01379	7.8
71.05029	0.2
72.77204	0.1
72.99306	0.7
73.02950	1.3
74.82617	0.1
75.00854	0.5
78.95899	0.2
80.02676	1.1
81.03445	1.6
83.01390	1.2
83.05026	5.2
84.01737	0.2
84.02158	0.9
85.02951	2.3
87.00877	1.9
88.98804	1.4
89.02444	7.0
91.04005	0.1
93.03452	1.0
95.01409	0.6
95.05022	0.8
97.02946	1.4
97.06598	0.2
99.00903	0.5
101.02449	5.9
102.02843	0.2
107.01415	0.3
108.02235	0.2
109.02943	0.7
109.06612	0.4
113.02467	3.1
115.04057	0.1
116.92878	0.3
119.03513	2.1
119.05012	0.5
121.02967	0.3
123.04525	0.2
123.28038	0.2
124.01647	0.2
125.02452	3.2
125.06106	0.6
125.09742	0.3
131.03516	0.4
134.03746	0.2
135.04541	0.5
135.08159	0.6
137.02420	0.8
139.04033	0.4
141.01942	0.2
143.03503	1.3
147.11778	0.3
151.00392	1.1
151.04042	0.2
152.00792	0.2
153.01936	0.2
153.12921	0.2
158.03688	0.2
161.02487	0.4
161.04593	1.9
161.09634	0.1
163.03993	0.4
163.11290	3.8
164.11583	0.3
165.01881	0.3
165.12846	2.6
167.03525	0.4
168.00607	0.2
169.05075	0.2
170.83948	0.1
171.10284	0.3
177.01976	0.3
177.05559	0.3
179.03467	0.2
179.03983	0.2
179.05618	2.0
180.05936	0.2
181.05013	0.2
181.12331	0.7
183.13968	0.2
191.05577	0.2
191.10812	0.9
199.13303	0.2
201.11412	0.2
207.10225	0.2
209.11824	100.0
210.12160	6.8
217.07170	0.5
221.06677	1.0
225.11299	0.2
227.12874	16.6
228.13222	1.1
235.08202	2.5
237.50558	0.1
237.53015	0.1
247.13351	0.2
251.12914	0.4
253.09262	0.5
259.08203	0.3
263.07614	0.2
265.14526	0.2
271.06061	1.4
272.06461	0.6
273.06589	0.2
287.05142	0.3
287.08078	0.7
289.07086	0.5
305.08755	0.9
323.09805	0.7
362.19504	0.2
374.95538	0.1
379.12427	4.2
380.12744	0.4
397.13495	22.9
398.13760	1.8
401.23523	0.3
413.18350	0.2
415.14554	5.3
416.15036	0.4
427.19974	0.2
461.25259	0.3
470.56015	0.2
589.25012	1.6
607.26111	2.8
608.26337	0.6
750.74384	0.2
799.38269	0.6
800.38550	0.3
817.39020	0.4
867.40314	0.4
870.01733	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
61.44057	0.1
61.98828	100.0
62.98530	0.1
62.99257	0.1
63.02365	0.1
65.00319	0.8
71.01385	0.8
71.61646	0.1
73.02943	0.1
78.95922	0.4
83.01392	0.5
83.05108	0.1
85.02960	0.1
87.00896	0.1
88.98811	0.2
89.02448	0.2
90.59602	0.1
93.03487	0.3
95.01427	0.1
96.96040	0.2
97.02919	0.2
101.02459	0.3
107.01402	1.6
109.02992	0.2
109.06577	0.1
113.02469	0.2
116.92862	0.2
117.35301	0.1
119.05038	1.3
121.02989	0.2
123.04552	0.2
125.02459	1.0
134.03760	0.1
135.04530	2.6
135.05492	0.2
136.04884	0.1
137.02519	0.3
145.02997	0.2
147.04524	0.1
149.02441	0.1
150.32011	0.1
151.00385	7.0
152.00783	0.3
161.02492	0.3
161.04614	0.1
163.00456	0.1
163.04094	0.2
163.11371	0.1
164.01155	0.1
165.01982	0.3
168.00627	0.1
169.01454	0.3
175.00430	0.2
176.01140	0.1
177.01958	0.3
191.05577	0.1
193.01486	0.1
201.11449	0.2
207.10303	0.3
209.11853	0.5
210.12125	0.1
225.11453	0.2
227.06949	0.1
227.12930	0.1
243.12364	0.1
271.06088	10.2
272.06427	1.0
283.13412	0.1
285.04129	0.2
287.05591	5.6
288.05969	0.5
289.07181	0.1
313.06946	0.1
345.15646	0.2
389.25580	0.1
441.62030	0.1
485.29517	0.2
533.29364	0.1
617.22650	1.6
618.23438	0.3
789.24561	0.1
805.36768	2.0
806.24866	0.1
806.37482	0.5
868.36536	0.1
869.39886	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	867.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.47104	0.7
63.99245	0.7
65.00322	3.4
69.03467	1.1
70.74427	0.7
71.01380	23.4
71.61483	1.3
72.01706	0.8
72.99310	2.2
73.02939	3.0
74.25614	0.6
75.00895	1.1
78.95908	2.1
80.02682	1.7
80.57881	0.7
81.03471	1.7
83.01401	5.2
83.05034	7.1
84.02189	1.2
85.02970	5.0
87.00878	3.8
88.98810	1.7
89.02452	16.7
93.03480	1.3
95.01390	1.4
95.05080	1.6
96.96039	1.2
97.02953	2.7
97.06669	0.7
99.00920	2.0
101.02453	15.1
107.01389	4.7
109.02993	2.6
109.06600	1.2
111.00893	0.7
111.04580	0.9
111.08188	0.9
113.02456	5.9
116.92811	1.5
117.03445	0.7
119.03509	4.0
119.05054	1.2
121.02937	0.9
123.04485	1.8
124.01694	1.4
125.02460	8.5
125.06160	0.8
125.09811	0.7
128.50497	0.8
135.04533	14.2
135.08238	1.0
136.04872	2.6
137.02477	3.1
139.04033	1.0
143.03525	1.9
145.02953	1.5
145.90819	0.8
149.02423	0.7
150.03238	0.9
151.00386	28.3
151.04021	1.7
152.00761	4.7
155.10869	0.8
161.02426	2.0
161.04604	2.0
163.04008	1.8
163.11292	6.1
165.01958	1.5
165.12837	10.1
169.01424	0.8
171.10320	1.4
177.01988	0.8
179.05708	1.4
181.12415	1.1
183.13907	56.5
184.14229	4.3
185.04706	1.0
191.05656	1.2
191.10840	0.9
207.10269	1.8
209.11829	72.1
210.12189	4.3
211.13448	0.7
221.06665	1.8
225.11380	1.5
227.12859	9.5
228.13307	0.8
235.08331	3.3
253.09447	0.9
271.06046	4.1
272.06424	0.9
287.05585	23.6
288.05865	9.5
289.07077	1.4
397.13394	5.5
415.14639	2.5
607.26331	1.2
619.83130	0.7
623.25775	0.8
625.27759	1.4
804.35114	6.5
805.37085	2.0
835.39825	93.6
836.40240	28.7
867.43060	17.2
868.43359	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	866.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98520	0.2
71.18428	0.1
71.61091	0.1
78.95923	0.3
86.41830	0.1
122.81483	0.1
125.02386	0.1
127.18201	0.1
152.99629	0.2
157.27039	0.1
171.10370	0.4
209.11841	0.1
231.84612	0.1
255.23283	0.4
256.23688	0.2
275.23114	0.1
291.19681	0.1
292.19952	0.1
293.21130	0.1
294.21674	0.2
320.74957	0.1
349.81439	0.1
390.84946	0.1
397.13647	0.2
721.45160	0.1
765.10303	0.1
790.53046	0.2
792.54083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.03424	0.8
71.01379	20.8
71.05022	0.8
71.63309	1.8
73.02949	1.2
78.95903	5.7
79.95758	2.1
80.96533	1.5
81.03444	1.2
83.01389	2.3
83.05013	1.8
84.02152	0.9
85.02952	1.4
87.00874	2.0
88.98797	1.1
89.02452	6.6
93.03474	1.3
96.96021	10.1
96.96963	2.7
97.02961	1.0
101.02470	7.0
109.02943	1.6
109.06565	2.0
110.48515	0.8
112.55251	0.8
113.02472	4.1
116.92873	6.9
119.03544	2.1
123.04555	1.3
125.02446	7.3
135.08165	1.0
137.02460	3.5
143.03525	1.5
149.02428	1.0
151.00346	1.8
151.03995	2.2
161.02402	1.9
161.04518	2.2
163.06073	1.0
163.11285	3.3
165.01904	2.3
165.12962	1.0
171.10226	2.5
177.01944	1.5
179.05672	4.2
195.13991	1.3
197.11867	1.7
201.11357	1.2
205.12337	0.9
207.10272	3.7
209.11819	35.4
210.12161	3.0
211.13350	8.1
221.06827	1.4
223.13393	23.5
224.13661	0.9
225.11328	3.9
227.12837	7.2
235.08226	2.8
271.06036	3.6
289.07220	2.1
304.44684	1.0
305.08810	1.1
312.88040	1.0
379.12332	4.9
397.13501	23.1
398.13885	1.4
415.14587	4.2
517.75299	0.9
589.24945	2.4
590.24646	1.0
603.26813	5.0
607.25964	5.4
621.28107	4.9
623.25372	1.5
626.71710	1.0
813.39093	5.7
814.39948	1.1
831.41150	1.6
832.42065	1.0
835.40198	1.7
867.38397	19.0
868.39160	4.8
880.79456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98527	0.1
71.01395	0.4
71.18403	0.1
72.99374	0.0
75.00861	0.0
78.95926	0.1
81.03466	0.0
83.01400	0.1
87.00928	0.1
88.98839	0.1
89.02469	0.0
94.98112	0.2
96.96037	0.1
96.96944	0.1
101.02489	0.1
109.02958	0.1
109.06591	0.0
123.04613	0.1
125.02458	0.6
137.02464	0.1
151.04076	0.2
152.99648	0.1
161.02437	0.1
167.03531	0.1
171.10364	0.1
175.04045	0.1
177.02086	0.1
201.11253	0.1
207.10289	0.1
209.11943	0.1
225.11388	0.1
243.03149	0.1
289.07153	0.2
309.52100	0.0
397.13751	0.1
720.76715	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	865.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96154	0.4
71.01379	1.5
71.61034	0.5
81.03456	0.9
83.01378	3.3
85.02950	0.5
87.00886	1.0
89.02452	0.7
89.03975	0.6
93.03461	2.0
95.01392	0.5
95.05044	1.4
96.96974	0.6
97.02969	1.9
101.02464	0.9
102.52183	0.4
105.03481	0.4
107.05034	1.1
107.63328	0.4
108.02179	1.0
109.02972	11.7
113.02451	0.8
117.03451	0.7
119.05029	1.0
121.02961	3.0
122.03699	0.5
123.00945	0.4
123.04538	7.3
124.01656	0.6
125.02460	100.0
126.02775	2.9
131.05013	0.8
133.02969	5.1
135.04555	1.9
137.02461	14.7
138.02829	0.4
139.03966	1.2
145.02943	0.9
146.03745	0.9
147.04543	1.1
149.02454	4.0
149.06131	0.5
150.03214	0.8
150.65384	0.5
151.04021	11.7
151.86955	0.4
152.04349	0.4
159.04567	2.3
160.01720	0.5
160.05203	0.8
161.02458	31.2
161.06015	2.6
162.03046	2.9
163.00394	2.3
163.04018	5.3
164.01176	6.2
165.01974	5.6
165.05440	0.5
166.02443	0.5
167.03503	1.9
173.02368	0.5
173.06097	0.9
174.03148	0.8
175.04018	14.8
175.07570	0.7
176.01212	0.9
176.04381	1.1
177.01933	10.3
177.05626	1.3
178.02556	0.6
178.06346	0.5
179.03554	2.7
183.04584	0.4
185.06021	0.8
187.04030	4.6
188.04698	1.2
189.01932	1.7
189.05577	1.0
190.02705	0.5
191.03477	1.4
191.05534	0.8
191.07175	0.5
193.05011	1.1
199.04034	3.6
199.07744	0.7
200.04736	0.9
201.01979	1.2
201.05551	1.8
202.06223	1.2
203.03477	3.4
203.05515	0.6
203.07106	3.9
205.01421	1.3
205.05075	3.7
207.02960	0.5
211.04033	1.2
212.04663	0.6
213.05510	1.2
214.02771	1.0
215.03481	1.2
217.01526	0.8
217.05032	5.8
218.05469	0.6
219.03012	3.3
219.06601	0.8
221.08122	0.7
225.05542	1.3
227.03482	1.8
227.07082	0.7
228.04301	1.2
229.05075	2.7
230.05724	0.5
231.02963	1.8
237.05598	0.6
239.03548	0.6
241.05107	0.8
243.02982	19.7
243.06671	1.4
244.03423	1.7
245.04553	9.9
245.08199	6.0
246.04979	0.6
247.06017	0.9
253.04959	0.9
254.05548	0.6
255.02988	7.0
256.03662	1.8
257.04449	1.4
259.06104	0.5
261.04056	5.4
265.07214	0.6
267.02802	0.7
269.04581	3.2
270.05014	0.5
271.06104	0.6
273.04025	2.1
280.53162	0.4
281.04398	2.2
282.01938	1.0
283.02588	2.5
284.09644	0.4
285.04126	2.6
285.07266	0.5
286.04697	0.5
287.05609	31.2
288.03009	0.6
288.05936	2.7
289.07153	19.9
290.07513	1.7
293.04495	0.6
295.05734	0.6
297.04080	0.6
299.05569	3.5
313.09280	0.5
315.08774	1.0
321.11832	0.9
327.05121	0.5
329.06641	1.2
331.08258	0.6
337.07016	0.9
339.08746	2.2
341.06711	1.6
347.05713	0.5
363.05014	1.3
365.06882	0.5
373.80206	0.5
381.09985	1.0
383.07593	0.8
387.05084	0.6
391.04514	1.4
395.07840	0.6
401.10843	3.9
405.06134	6.0
406.06497	0.9
407.07712	20.3
408.08051	2.6
413.08807	8.3
414.09528	1.1
423.07269	5.0
424.07648	1.0
425.08777	12.4
426.09409	2.0
449.08719	6.5
450.09549	0.6
451.10315	7.0
452.10907	0.6
467.09616	0.6
517.11627	0.6
525.08405	1.9
533.10901	1.5
543.09308	4.9
544.09210	0.7
559.12683	1.1
561.10229	2.0
569.10925	0.9
575.12012	9.2
576.12653	2.0
577.13483	10.8
578.14069	2.0
587.11975	3.1
588.12207	0.7
669.16003	0.6
677.13885	0.8
695.14294	9.8
696.14569	3.4
713.15460	4.0
714.15228	1.1
739.17029	3.1
740.16742	0.7
865.20050	2.7
866.20172	1.3
880.57153	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2019
Annotation	Dolabriproanthocyanidin
Peak:m/z	Relative Intensity
64.26998	0.2
64.93778	0.2
65.00326	0.6
65.03970	0.5
67.01898	0.5
69.03464	0.4
70.59657	0.2
71.01385	0.7
75.00879	0.5
77.03954	0.3
79.08386	0.2
80.50650	0.2
81.03461	1.1
83.01389	3.4
83.05035	0.2
85.02952	0.5
89.02470	0.2
89.03968	0.3
91.01877	0.3
93.03460	1.7
95.01397	0.8
95.05067	1.0
97.02956	2.0
98.19911	0.4
99.00964	0.3
105.03471	0.4
107.05051	1.6
108.02213	1.1
109.02962	11.4
110.03319	0.5
111.00922	0.3
113.02427	0.3
117.03484	0.6
119.05038	0.8
120.02188	0.2
121.02979	3.4
122.03738	0.8
123.00931	0.4
123.04541	7.7
124.01663	0.4
124.04845	0.2
125.02463	100.0
126.02802	2.6
130.04239	0.2
131.05043	1.3
132.02185	0.3
133.01949	0.3
133.02960	4.8
133.03908	0.4
133.06615	0.2
134.03539	0.2
135.00865	0.4
135.04561	1.8
137.02463	14.5
138.02837	0.4
139.04037	1.7
143.05026	0.4
143.81544	0.2
145.02945	1.0
145.06688	0.2
146.03769	0.5
147.04570	1.0
148.01700	0.3
149.02444	3.3
149.06108	0.7
150.03258	1.0
151.00394	0.3
151.04028	11.1
152.01225	0.4
152.04343	0.5
153.01970	0.2
155.05092	0.3
157.03003	0.3
157.06581	0.5
158.03766	0.6
159.04544	2.8
160.01645	0.5
160.05176	0.4
161.02461	31.5
161.06027	1.8
162.03087	2.4
163.00398	2.9
163.04030	4.2
163.07623	0.2
164.01176	6.1
164.04362	0.3
165.01952	4.9
165.05644	0.2
166.02454	0.3
167.03531	1.3
171.04568	0.3
172.05226	0.2
173.02461	0.6
173.06169	1.3
174.03194	0.9
175.04012	14.4
175.07704	0.7
176.01094	1.0
176.04428	0.7
177.01942	10.5
177.05534	0.9
178.02478	0.4
179.03508	2.1
180.04172	0.2
183.04553	0.6
185.06105	0.9
187.04025	4.5
188.04755	1.7
189.01968	1.7
189.05525	1.0
190.02666	0.6
191.03519	1.1
191.05544	0.5
193.05075	1.2
197.06052	0.5
199.04041	3.8
199.07718	0.3
200.04614	0.6
201.01926	1.1
201.05544	1.9
202.06311	0.8
202.99913	0.3
203.03511	2.6
203.07147	4.0
204.04173	0.3
204.07445	0.4
205.01515	1.3
205.05049	4.3
206.47566	0.2
211.03979	1.1
212.04770	0.4
213.05544	1.2
214.02614	0.5
215.03494	1.1
215.07152	0.6
216.00728	0.2
217.01410	0.8
217.05052	7.1
217.08380	0.3
218.05424	0.5
219.02992	3.9
219.06587	0.8
220.03326	0.4
221.08192	0.6
225.05640	1.5
225.38370	0.2
227.03516	2.3
227.07037	1.3
228.04362	1.0
229.05045	2.4
230.01968	0.2
230.05711	0.5
231.03012	1.4
231.06505	0.4
232.03436	0.2
239.03476	0.3
241.05051	1.2
242.02107	0.5
243.02979	17.5
243.06494	1.4
244.03360	1.7
245.04523	10.2
245.08182	6.1
246.04922	0.7
246.08488	0.4
247.06079	0.9
249.05981	0.6
253.05051	1.0
255.02972	6.3
255.06508	0.8
256.03699	2.7
257.04553	1.6
259.06064	0.5
261.04004	6.0
262.04407	0.4
267.02884	0.4
267.06766	0.3
268.03625	0.4
269.04587	3.2
270.05090	0.3
271.02649	0.3
271.06143	0.8
273.04001	2.3
274.04395	0.3
281.04535	2.7
282.01746	0.6
283.02441	1.6
284.03082	0.5
285.04117	2.6
285.07361	0.3
286.04608	0.5
287.05603	27.9
288.02966	0.4
288.05911	2.1
289.07172	20.0
290.07544	1.6
293.04636	0.4
295.02448	0.3
295.06174	0.4
297.03995	0.8
297.07431	0.4
298.04434	0.5
299.05640	3.6
300.05859	0.4
301.03186	0.2
303.04733	0.3
305.04279	0.4
308.03134	0.2
309.04068	0.3
313.07294	0.3
315.08633	0.9
319.06207	0.2
320.06726	0.3
321.07803	0.2
323.05579	0.4
327.05112	0.8
327.08633	0.5
329.06607	1.1
331.08423	0.3
337.07138	0.7
339.08670	1.6
340.09369	0.4
341.06726	1.9
347.05566	0.4
363.05154	0.7
363.08975	0.5
365.06625	0.3
369.09723	0.3
371.09857	2.0
375.04984	0.3
379.08145	0.4
381.05994	0.6
381.09958	0.9
383.07687	0.8
387.04947	0.5
391.04474	0.7
395.07703	0.9
405.06165	4.3
406.06345	0.4
407.07715	18.7
408.08090	2.3
413.08737	6.6
414.09186	0.9
417.06223	0.7
423.07214	4.6
424.07532	0.4
425.08749	12.5
426.09192	1.1
433.09070	0.4
435.06882	1.0
447.06946	0.3
449.08743	5.9
450.09125	0.7
451.10349	7.2
452.10449	0.9
467.09454	0.6
499.10150	0.3
517.11108	0.4
525.08228	1.6
533.10767	1.1
543.09125	3.6
544.09680	0.4
557.11108	0.6
559.12317	0.8
561.10535	1.7
569.10699	1.4
575.11957	7.0
576.12177	1.2
577.13531	11.1
578.13715	2.0
587.12054	3.6
588.12433	0.6
616.11987	0.4
619.14648	0.4
669.16296	0.3
677.13281	0.6
695.02026	0.4
695.14215	7.9
696.14502	1.6
713.15369	3.8
714.15619	1.0
739.16998	2.4
740.16638	0.4
847.18658	0.3
865.19604	2.5
866.20160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	0.4
65.03964	0.6
67.01881	0.8
71.01350	0.6
72.24040	0.3
75.00853	0.4
79.52312	0.2
81.03468	1.1
83.01387	3.8
83.05043	0.3
84.01742	0.3
85.02943	0.5
89.02464	0.3
89.03969	0.4
93.03477	1.9
95.01380	0.8
95.05028	0.9
97.02984	2.1
98.20666	0.5
99.04450	0.3
101.02437	0.3
105.03475	0.5
107.05034	1.9
107.93235	0.3
108.02193	0.9
109.02962	10.8
111.00915	0.3
113.02444	0.3
117.03501	0.7
119.05051	1.2
120.02182	0.5
121.02947	2.9
122.03768	0.7
123.00902	0.5
123.04537	8.2
124.01657	0.4
125.02457	100.0
126.02796	4.1
128.63168	0.3
131.05084	1.8
133.02974	5.1
135.00935	0.4
135.04541	1.8
137.02454	15.5
139.04005	1.9
140.80797	0.3
143.33235	0.3
145.02957	2.2
146.03749	0.3
147.04543	1.0
149.02443	3.1
149.06058	1.0
150.03232	0.8
151.04019	11.4
152.04321	0.3
158.03754	0.4
159.04535	2.3
160.01649	0.5
160.05302	0.4
161.02457	30.4
161.06026	2.3
162.03188	2.3
163.00385	3.0
163.04008	4.9
164.01158	6.0
164.04318	0.5
165.01938	5.4
166.02596	0.3
167.03514	1.3
171.04558	0.7
173.02449	0.6
173.04657	0.6
173.06093	1.1
174.03236	0.7
175.04012	14.9
175.07631	0.7
176.01160	0.7
176.04369	0.8
177.01941	10.4
177.05598	1.3
178.02405	0.7
179.03523	2.6
183.04558	0.6
185.02432	0.4
185.06041	0.8
187.04013	4.2
188.04713	1.2
189.01924	2.0
189.05521	0.8
190.02704	0.7
191.03499	1.3
191.05678	0.7
193.05080	1.3
199.04001	3.8
199.07825	0.3
200.04601	0.5
201.01971	0.9
201.05582	2.7
202.06322	0.7
202.99872	0.5
203.03546	2.8
203.07114	3.9
205.01488	1.6
205.05069	3.4
208.35121	0.3
211.04088	1.1
212.04823	0.9
213.05499	0.9
214.02731	0.9
215.03526	1.4
215.07104	0.4
217.01491	0.7
217.05049	7.7
218.05524	0.4
219.02994	3.2
219.06635	0.9
221.08170	0.9
225.05624	1.1
227.03539	1.4
227.07117	0.7
228.04242	0.9
229.05040	2.7
230.05721	0.6
231.02998	1.8
237.05487	0.4
238.55020	0.3
241.05016	0.8
243.02954	17.4
243.06683	1.4
244.03424	1.7
245.04549	9.3
245.08180	4.6
246.04968	0.8
246.08446	0.8
247.06128	0.4
253.05002	1.1
255.02946	6.0
256.03647	2.3
257.04416	1.6
261.03976	5.3
262.04303	0.5
267.03070	0.6
268.03769	0.4
269.04480	3.0
270.05148	0.5
271.06058	0.8
273.03983	2.2
281.04550	2.2
282.01682	0.9
282.04758	0.4
283.02496	1.8
283.05316	0.3
284.03012	0.5
285.04034	2.4
285.07239	0.6
286.04407	0.5
287.05591	28.4
288.03064	0.5
288.05975	2.2
289.07169	20.0
290.07516	1.4
293.04620	0.5
295.02502	0.9
295.05881	0.5
295.99265	0.3
297.04074	0.8
297.07507	0.6
299.05533	3.5
315.08844	0.9
327.05246	0.5
329.06653	1.2
331.08432	0.7
337.07211	0.4
339.08691	1.8
341.06427	1.0
341.09378	0.5
347.05688	0.4
363.05124	1.3
369.09824	0.6
379.08414	0.6
381.05746	0.5
381.09814	0.9
383.07922	0.7
387.05109	0.8
391.04568	0.6
395.07706	1.2
397.05771	0.3
405.06097	5.0
406.06567	0.6
407.07697	18.0
408.08130	2.8
413.08713	7.0
414.09216	1.2
417.06094	0.6
417.14212	0.8
419.08194	0.4
423.07144	4.9
424.07669	0.6
425.08728	10.0
426.09174	1.3
433.08966	0.5
435.07260	0.9
449.08685	6.0
450.09250	0.8
451.10297	7.1
452.10562	1.1
459.15378	1.9
467.09833	0.7
506.76221	0.4
525.08374	1.1
533.11188	0.9
535.12762	0.4
543.09235	3.4
544.09729	1.0
557.10730	0.6
559.12653	1.0
561.10327	2.3
569.11188	1.1
575.11938	7.5
576.12421	1.4
577.13550	11.7
578.13928	2.2
587.11914	3.5
588.12286	0.6
677.12915	0.4
695.14148	8.8
696.14496	2.1
713.14923	3.5
714.15979	0.9
739.16931	2.1
740.17505	0.8
770.42529	0.3
865.19861	2.3
866.20508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.7
62.24232	0.1
65.86143	0.1
69.03457	0.8
71.01384	13.0
71.05029	0.3
72.01727	0.2
72.29342	0.1
72.99316	1.3
73.02953	1.8
75.00888	0.3
80.02698	0.9
81.03466	1.9
83.01385	1.5
83.05027	4.8
84.02163	0.8
85.02959	3.1
86.00094	0.1
87.00882	3.2
89.02451	10.8
90.02779	0.2
91.04037	0.2
93.03474	0.2
95.01402	1.2
95.05043	0.7
97.02968	2.3
97.06662	0.1
99.00897	0.8
99.04527	0.2
101.02454	9.5
102.02788	0.2
109.02968	0.4
109.06635	0.5
111.00862	0.4
111.04517	0.3
111.08128	0.1
113.02463	5.9
115.04023	0.3
117.03471	0.2
119.03516	2.6
119.05038	0.2
121.02943	0.2
125.02466	4.9
125.06116	0.5
125.09688	0.2
126.02780	0.2
127.04047	0.2
131.03497	0.4
133.05093	0.4
135.04645	0.1
135.08170	0.7
137.02440	0.2
139.00366	0.1
139.04001	0.4
141.01981	0.3
143.03520	2.2
145.02937	0.6
147.11829	0.3
149.04553	0.3
161.04573	2.9
162.04897	0.1
163.04027	0.1
163.11301	3.8
164.11617	0.2
165.12862	2.4
166.61067	0.1
167.03493	0.4
167.33583	0.1
179.05626	3.7
180.05942	0.2
181.12346	0.6
185.04518	0.2
191.10780	1.1
192.20280	0.1
199.06117	0.5
199.13364	0.3
209.11833	100.0
210.12164	7.4
210.14201	0.3
217.07176	0.8
219.05022	0.2
221.06705	1.5
222.06889	0.1
223.13280	0.2
227.12889	10.6
228.13191	0.8
229.68155	0.2
233.11740	0.1
235.08223	4.3
236.08495	0.2
245.06650	0.2
251.12997	0.7
253.09380	0.7
255.23279	41.7
256.23630	3.9
259.08261	0.5
263.07697	0.5
269.24878	0.4
281.14038	0.1
287.07700	1.6
293.14432	0.1
297.24359	0.2
301.09354	0.2
305.08789	2.0
323.09741	1.0
329.16187	0.2
343.49689	0.1
361.11258	0.3
379.12445	8.0
380.12830	0.7
397.13510	30.7
398.13834	2.8
415.14581	7.0
416.14923	0.5
491.22406	0.1
497.20413	0.2
589.24768	1.0
590.25494	0.2
607.26074	2.0
608.26556	0.3
635.36633	0.3
636.38684	0.1
641.30383	0.1
653.37439	0.8
654.37433	0.2
863.50262	0.5
864.50183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.3
65.52092	0.1
68.54035	0.1
68.99812	0.1
69.03453	1.3
69.03810	0.2
71.01383	16.9
71.15394	0.2
71.15735	0.2
71.31972	0.1
72.01723	0.2
72.99313	1.4
73.02952	2.6
75.00889	0.2
80.02671	1.3
81.03458	1.7
83.01392	2.0
83.05027	4.7
84.02171	0.7
85.02959	3.9
86.00131	0.1
87.00882	4.3
87.04526	0.1
89.02450	14.3
90.02793	0.2
91.04024	0.3
93.03477	0.3
93.86032	0.1
95.01392	1.5
95.05029	0.6
97.02955	2.7
97.06609	0.2
98.03274	0.1
99.00874	1.0
99.04508	0.2
101.02453	12.4
102.02795	0.2
103.00430	0.2
103.04009	0.2
109.02979	0.3
109.06564	0.3
111.00912	0.3
111.04536	0.5
111.08213	0.2
113.02460	7.0
114.02753	0.2
115.04005	0.3
119.03516	3.5
119.04327	0.3
119.80356	0.1
121.02985	0.2
123.00923	0.2
123.04510	0.2
124.01675	0.2
125.02460	5.6
125.06055	0.4
126.02812	0.3
127.04037	0.2
129.01910	0.2
131.03511	0.6
133.05101	0.3
135.08157	0.5
139.04007	0.6
141.01978	0.3
143.03500	2.4
145.05089	0.2
147.11824	0.2
149.04572	0.3
159.03023	0.2
161.04564	3.0
162.04805	0.1
163.04042	0.2
163.11311	3.6
164.11630	0.2
165.12851	2.2
165.14146	0.2
167.03506	0.3
169.05023	0.2
179.03767	0.2
179.05605	3.6
180.05865	0.2
181.05106	0.2
181.12379	0.5
185.04536	0.3
191.10808	1.0
199.06133	0.5
209.11830	100.0
210.12163	6.9
217.07181	0.8
219.05026	0.1
221.06657	1.2
223.13687	0.2
227.12881	13.7
228.13167	1.0
235.08211	4.8
236.08467	0.2
245.06601	0.5
251.12848	0.4
253.09259	0.9
255.23274	55.3
256.23630	5.2
259.08133	0.6
263.07706	0.4
269.24713	0.6
277.09436	0.2
287.07730	1.8
288.07840	0.2
297.24460	0.2
301.09232	0.2
305.08710	1.9
323.09869	1.1
326.41205	0.1
361.11304	0.5
379.12430	9.0
380.12924	0.8
397.13504	39.5
398.13840	3.9
415.14529	8.4
416.14908	0.7
589.24921	1.0
590.24969	0.2
607.26031	1.0
608.26495	0.3
635.36523	0.6
653.37750	2.0
654.37988	0.4
863.49945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01870	0.7
67.64535	0.5
71.01388	1.4
81.03474	1.8
82.57047	0.5
83.01380	3.6
85.02947	1.8
93.03466	3.4
95.01387	1.3
95.05052	1.6
97.02973	2.3
98.20678	1.0
99.04611	0.5
100.53433	0.5
107.05087	0.6
108.02180	1.7
109.02966	15.9
117.03493	0.7
119.05031	0.9
121.02966	11.4
122.03761	1.1
123.04539	8.8
125.02463	76.8
126.02789	2.6
131.05028	0.8
133.02954	4.1
135.00908	1.5
135.04559	1.3
137.02466	13.7
139.04024	2.1
145.02994	1.6
146.03775	1.4
147.00911	2.6
147.04582	2.5
148.01669	1.2
149.02469	7.8
151.00359	1.7
151.04010	7.6
155.10828	0.6
159.04530	3.3
160.01640	0.8
160.05235	0.8
161.02463	25.4
161.06104	1.5
162.03178	2.3
163.00380	18.6
163.04016	2.5
164.01187	6.7
165.01956	9.3
166.02383	0.8
167.03488	1.2
170.97072	0.6
171.04514	2.4
173.02542	0.9
173.04626	0.7
173.06104	1.9
174.03215	1.9
175.04015	14.4
176.01158	4.0
176.04358	0.9
177.01950	12.0
177.05531	0.6
179.03513	3.2
183.04625	0.8
185.06087	2.2
187.04007	3.7
188.04753	1.8
189.01936	2.6
189.05553	3.0
190.02718	1.8
191.03729	1.4
191.05614	21.8
192.05977	0.7
197.06064	1.4
198.03307	1.1
199.04019	6.6
200.04626	0.9
201.01920	3.8
201.05537	2.4
202.02644	0.8
202.06367	1.0
202.99864	1.3
203.03487	2.4
203.07162	3.9
204.00693	0.8
204.04236	0.5
205.01338	1.7
205.05110	3.5
211.04010	1.5
212.04675	0.9
213.05563	3.6
214.02689	1.6
215.03493	3.8
217.01656	1.0
217.05037	8.9
218.02313	0.7
218.05446	0.7
219.02963	1.3
219.06642	1.3
221.08147	0.7
223.03862	0.9
224.04863	0.9
225.05559	2.0
226.02751	0.7
227.03523	3.2
227.07219	1.1
228.04202	0.7
229.04967	2.6
231.02995	0.9
231.06584	0.7
239.03471	1.6
239.07248	0.7
240.04332	1.2
241.05032	6.5
242.02145	2.0
242.05392	0.6
243.02954	13.5
243.06685	1.9
244.03413	1.8
245.04504	6.4
245.08156	6.4
246.04912	1.0
246.75269	0.5
251.03566	0.5
253.04948	1.5
255.02986	7.7
255.06516	1.3
256.03696	3.3
257.04468	6.0
258.04800	0.8
259.02203	0.6
261.04031	1.1
265.05038	0.9
267.02914	2.2
267.06577	0.9
268.03717	1.1
269.04443	4.0
270.05228	0.7
271.02466	1.5
271.06079	0.9
272.03323	0.7
273.03799	0.9
279.02896	1.0
281.01697	0.5
281.04498	3.2
282.01666	1.6
283.02371	3.5
283.05896	1.5
284.03116	1.8
285.04041	49.8
286.04440	3.6
287.05627	9.3
288.02652	0.9
288.05881	0.6
289.07175	24.6
290.07480	2.4
294.05151	0.8
295.02484	1.2
295.06210	0.7
296.03180	0.8
297.04114	4.9
298.04727	0.6
299.02240	0.7
299.05679	1.5
300.02811	2.1
301.03601	0.8
305.04773	0.6
307.06097	4.4
309.03955	2.6
311.02023	0.6
313.03659	0.7
313.07242	0.8
315.06906	0.6
319.06079	1.7
320.06735	1.3
321.07562	1.0
323.05603	0.6
323.56958	0.6
323.98322	0.5
324.02585	1.2
325.03476	1.3
325.06979	0.6
326.04306	1.1
327.05118	5.1
331.06433	0.9
335.05609	1.6
337.09335	6.1
341.06570	0.6
347.05722	1.2
360.06189	0.9
361.07254	0.7
363.08987	0.6
375.05023	1.9
377.06509	1.0
387.05057	1.7
388.05789	2.1
389.06384	0.6
403.04630	3.1
405.05975	0.8
407.07758	9.4
408.08075	1.4
411.07111	4.7
412.07764	1.0
415.04398	0.9
421.05551	5.0
422.05716	0.7
423.07266	13.9
424.07492	1.8
434.06055	0.7
435.07391	1.1
447.07083	4.7
449.08749	17.6
450.09213	2.0
451.10345	0.9
452.07358	3.2
453.08478	2.9
471.10654	1.1
473.09109	0.7
482.02618	0.6
525.08221	0.8
539.09698	7.7
540.10260	1.9
544.10229	0.6
557.11023	1.7
558.11407	0.8
559.08923	5.4
560.08923	1.1
573.10461	7.9
574.10760	1.0
575.11981	100.0
576.12299	19.6
585.10730	3.7
586.11090	0.7
589.10510	0.8
617.13043	1.1
625.13995	2.0
657.10327	1.5
667.14923	0.8
693.12598	13.7
694.13287	2.9
700.06616	0.6
711.13788	15.0
712.13684	3.6
737.15338	2.5
738.15082	0.7
863.19043	2.1
864.18359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.489
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01710	0.9
60.99297	1.9
61.98827	7.5
66.69350	0.6
69.03458	2.1
71.01380	27.5
71.47455	0.6
72.99315	2.8
73.02946	4.7
73.03778	0.8
75.00183	0.7
75.00882	1.4
80.02682	1.8
81.03465	2.9
82.91914	0.7
83.01402	3.2
83.05035	3.1
85.02964	7.4
85.21935	0.6
87.00877	6.3
88.98827	8.1
89.02445	21.5
95.01386	2.1
95.05036	1.8
97.02971	10.2
99.00898	3.2
101.02456	19.1
105.01923	2.4
109.06602	34.4
110.03738	1.6
110.06928	1.5
111.00912	1.2
111.04559	1.2
113.02464	9.9
116.92891	1.6
119.03507	5.1
121.06621	2.1
125.02453	7.4
135.08200	3.8
136.05309	1.9
139.04050	0.8
141.02014	0.8
142.02704	3.6
143.03496	4.0
161.04570	4.3
161.09717	1.8
163.11313	18.9
164.11626	0.8
169.12411	0.7
171.10274	1.0
179.05626	6.5
179.10675	1.9
181.12366	4.4
189.09280	4.1
207.10271	100.0
208.10541	7.0
209.11852	3.1
221.06671	3.3
225.11316	68.6
226.11748	4.1
229.74036	0.9
235.08208	6.9
243.12325	1.5
253.09254	2.6
255.23286	65.0
256.23660	5.6
277.21729	5.4
278.22226	1.0
287.07770	1.5
299.14978	1.5
305.08826	2.2
322.55484	0.8
323.09872	1.5
327.21771	2.1
379.12408	7.1
397.13498	48.2
398.13617	4.2
415.14508	13.5
416.14984	1.2
419.34796	1.0
428.40784	0.9
508.20053	1.0
587.23615	2.5
605.24500	10.1
606.24493	2.1
623.25684	8.6
624.25677	1.4
635.36469	0.9
653.37762	3.2
843.47632	2.2
861.48895	63.2
862.49347	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	861.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.8
63.02393	2.7
64.02748	0.2
65.00325	5.9
70.51894	0.3
70.52249	0.4
71.01393	0.5
73.02940	0.2
75.00893	0.2
75.72377	0.1
78.95927	0.4
81.03461	0.2
83.01388	4.1
83.01868	0.2
85.02974	0.2
87.55716	0.1
93.03467	5.7
94.03810	0.3
95.01390	0.1
96.96040	0.2
97.02950	0.2
99.04529	0.3
101.02456	0.4
107.01403	11.1
108.01687	0.3
109.02966	0.4
113.02487	0.3
116.92844	0.2
117.03506	0.3
119.05041	26.2
120.05368	1.0
121.02969	0.4
123.04548	0.4
125.02478	1.5
131.01347	0.2
132.15439	0.2
133.02936	0.3
135.04558	0.2
137.02444	0.7
137.09740	0.2
143.05054	0.7
145.03003	1.1
149.02484	0.4
151.00388	34.3
152.00726	1.4
153.01949	0.2
155.10802	1.0
161.04611	0.4
161.06102	0.6
163.00356	0.2
163.04012	0.3
164.01173	0.2
165.01955	1.7
169.01468	2.4
175.00352	0.5
177.01947	4.4
178.02356	0.2
185.06094	0.8
187.03999	1.2
193.01488	0.2
199.09756	0.5
209.11743	0.3
211.07663	0.5
227.07141	0.8
229.04984	0.5
253.05049	0.2
263.11331	0.4
265.08749	0.3
271.06094	100.0
272.06445	8.7
287.05679	0.2
295.06085	0.9
327.21823	0.5
401.23358	0.3
427.19858	0.7
445.20816	3.6
446.21213	0.4
461.25070	0.9
462.25723	0.2
487.21597	0.4
589.25159	0.5
706.43231	0.2
746.37024	0.2
861.30646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99305	17.0
61.98825	2.8
68.51174	0.2
71.01393	0.4
76.01640	0.2
78.95919	0.2
87.00890	0.5
88.00411	0.8
88.98811	100.0
89.02446	2.4
89.99129	1.1
102.95840	0.2
116.92860	0.4
122.34938	0.2
125.02431	0.2
134.27287	0.1
171.10320	0.3
209.11813	0.8
229.88745	0.2
253.09256	0.3
309.20657	0.3
406.84760	0.2
483.31387	0.2
609.63983	0.2
785.30066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.5
71.01385	4.0
71.56537	0.2
72.99322	0.3
73.02951	0.6
75.00883	0.2
81.03471	0.2
83.01389	0.3
83.05050	0.2
85.02957	5.8
86.03275	0.2
87.00888	1.6
89.02457	3.2
93.03467	3.6
95.01394	0.2
99.00909	0.3
99.04569	0.2
100.67736	0.2
101.02452	2.6
105.03455	0.3
107.05070	0.4
109.03004	0.8
111.04526	0.9
113.02473	1.3
117.03483	0.8
119.03505	1.4
119.05054	0.7
123.04522	0.2
125.02502	0.2
127.04031	1.4
131.03529	0.2
131.07167	0.2
132.02188	1.0
133.02975	20.6
134.03479	0.8
135.04546	16.3
136.04845	0.8
137.02451	0.9
139.04239	0.2
145.02959	0.5
149.06076	0.5
151.04036	0.3
155.03465	0.3
161.02463	86.9
162.02803	4.2
163.04086	1.0
163.06157	0.3
171.03008	0.2
173.04561	7.1
174.04974	0.3
177.01944	0.3
177.05554	1.1
178.05913	0.2
179.03514	15.9
180.03897	0.9
181.07190	2.5
186.39632	0.2
191.05624	65.8
192.05957	3.1
193.04955	0.3
195.05086	0.3
199.49269	0.2
203.03571	0.3
221.04488	1.9
251.05597	1.1
281.06671	2.2
293.12512	0.4
312.57135	0.2
323.07590	0.3
337.09296	0.2
343.12357	0.7
351.07175	0.4
353.08777	13.0
354.05304	0.2
354.09167	1.2
406.71463	0.2
466.93048	0.2
487.14691	0.3
489.14069	0.2
503.14023	0.5
505.15604	100.0
506.15948	11.9
507.16333	0.2
794.06116	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01725	0.7
64.34665	0.4
69.03461	0.6
70.40371	0.8
70.40774	0.7
71.01384	13.3
72.99317	0.7
73.02944	2.6
75.00874	0.8
81.03458	2.4
83.01393	1.6
85.02952	4.4
87.00879	1.0
89.02454	10.5
95.01383	1.7
97.02962	0.7
99.04530	100.0
100.04877	2.7
101.02454	29.9
102.02818	0.5
113.02465	11.7
114.02799	0.4
119.03525	5.3
119.05002	0.8
123.04549	1.0
125.02463	52.6
126.02789	1.9
131.03506	1.8
137.02438	0.4
142.57590	0.4
143.03522	8.4
145.02994	0.5
147.02919	0.6
149.04565	4.2
151.00421	1.0
153.05539	0.4
160.01717	0.4
161.04575	7.7
173.19531	0.4
173.96170	0.4
175.04018	0.6
179.05632	3.1
195.19711	0.4
221.06676	5.6
245.63536	0.4
261.10007	0.4
271.06094	3.9
272.06396	0.9
283.11966	0.9
325.12900	11.2
326.13110	0.6
365.15924	2.4
366.16415	0.5
383.17111	1.5
427.15982	36.7
428.16431	3.7
433.11447	0.6
510.03345	0.4
551.11139	0.4
644.22406	0.8
644.73267	0.5
789.42157	0.4
814.01288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25665	0.1
61.98829	100.0
62.98534	0.2
65.00319	0.1
71.01395	0.6
78.95893	0.1
79.95756	0.1
83.01411	0.1
88.98842	0.2
89.02444	0.1
90.20125	0.1
93.03466	0.2
96.96042	0.2
98.95591	0.1
99.00921	0.1
99.92580	0.1
101.02460	0.2
107.01416	0.2
109.02989	0.2
115.00400	0.2
116.92885	0.4
119.05028	0.5
121.03028	0.2
123.04527	0.2
125.02483	0.5
133.01460	0.4
137.02483	0.3
146.92865	0.1
149.99637	0.1
150.03329	0.1
151.00380	1.0
151.04076	0.2
163.03984	0.1
165.01991	0.2
169.01550	0.1
171.10402	0.2
175.04103	0.1
177.01913	0.2
201.11423	0.1
209.11871	0.3
211.13525	0.1
212.13730	0.1
217.01349	0.1
247.16475	0.1
271.06110	4.6
272.06442	0.5
285.04126	0.1
289.07257	0.1
492.46536	0.1
502.13153	0.1
585.18140	0.1
791.39160	0.5
838.85999	0.1
854.38727	0.3
855.39441	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	6.2
65.20902	0.9
68.99811	1.1
69.03461	3.4
71.01382	15.4
71.05004	1.3
71.58685	1.5
73.02944	2.6
74.39043	0.9
75.00873	1.2
78.95897	2.5
81.03454	2.6
83.01385	3.2
83.05027	3.3
85.02953	5.2
85.42232	0.9
87.00879	4.1
89.02448	8.0
95.01407	2.2
95.05046	2.5
96.95979	1.1
97.02948	4.2
97.06605	7.9
99.00875	1.2
99.92589	1.5
101.02456	12.5
104.95134	0.8
107.05004	1.2
109.06586	3.7
111.08167	17.3
112.74978	0.9
113.02477	6.2
116.92886	11.7
119.03497	2.2
119.08675	0.9
121.06566	1.1
123.04524	3.3
123.08159	2.7
125.02450	1.9
125.09734	10.9
127.07643	1.8
135.08144	1.9
137.09740	4.5
141.09216	1.3
143.03462	1.6
145.05020	1.6
149.09657	1.1
151.11269	4.0
153.09279	1.4
153.12857	2.5
155.10762	1.4
155.14517	0.9
161.04541	3.9
163.11288	5.7
165.09406	1.2
165.12874	5.3
167.10753	3.1
169.12352	8.6
171.10272	7.6
177.12924	1.4
179.05612	2.1
179.10724	2.9
181.12344	4.4
183.13863	2.1
185.11844	11.5
191.10817	1.7
191.14424	9.1
195.13965	1.2
197.11838	100.0
198.12231	6.5
199.13416	6.2
205.12260	1.4
207.10226	3.3
209.09883	2.0
209.11821	28.1
210.12161	1.6
211.13403	14.1
221.11760	2.0
223.13454	1.0
225.11349	3.1
227.12891	16.6
235.08197	4.2
237.11285	2.5
245.19073	15.5
245.62106	1.0
246.19443	1.7
247.20685	1.2
248.89961	1.0
253.09268	27.9
254.09592	3.1
263.20129	11.2
265.18018	3.3
271.16916	2.7
273.18573	2.5
279.19977	1.4
289.18079	62.7
290.18417	7.4
291.19644	37.5
292.19928	4.5
293.21173	3.7
307.19128	56.5
308.19534	6.8
309.20697	85.3
310.21048	10.5
325.20380	1.1
341.23199	3.0
444.16360	1.2
445.20767	3.3
445.50150	1.1
457.91913	1.0
543.27728	1.7
614.22504	1.1
751.07330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49654	0.1
61.98829	100.0
62.98531	0.1
62.99249	0.1
70.05798	0.3
78.95940	0.1
80.96521	0.1
83.69858	0.1
98.19920	0.1
138.31940	0.1
202.09865	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	852.566
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	0.6
61.98829	73.4
62.40717	0.3
62.98535	0.7
62.99234	0.3
63.99259	3.2
71.01379	1.6
73.02951	1.3
78.91931	0.3
78.95911	2.4
79.95744	0.8
83.05005	0.3
87.04526	2.3
89.02451	0.4
94.98111	0.9
95.68583	0.2
96.96021	10.5
96.96938	2.4
98.20644	0.6
101.02485	0.5
109.06580	0.3
111.86171	0.3
116.92880	0.4
125.02472	0.4
125.09814	0.3
128.35596	0.3
151.04004	0.3
171.10336	0.5
201.11285	0.4
207.10361	0.4
209.11797	1.9
210.12198	0.5
211.87637	0.3
223.13535	0.3
225.11316	0.6
227.12952	0.3
229.61665	0.3
236.05293	0.3
379.30188	0.4
409.31143	0.9
427.32291	0.4
439.32120	0.4
441.33667	0.5
453.30295	0.3
469.33173	4.3
470.33701	0.8
485.32114	0.3
487.34262	39.3
488.34583	8.2
513.28668	0.4
546.35156	1.0
547.36298	100.0
548.36682	21.9
852.40167	0.5
853.40485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.3
68.99832	0.2
69.78370	0.7
69.78772	0.3
71.01387	2.4
72.01736	0.2
72.99306	0.6
73.02956	0.5
75.00887	0.5
80.02697	0.3
81.03482	0.3
83.01372	0.3
83.05022	1.0
84.02241	0.2
85.02969	1.0
87.00890	0.5
89.02457	1.8
93.03469	2.1
93.97404	0.2
95.01425	0.2
95.05026	0.4
97.02970	0.3
99.00882	0.3
101.02449	1.4
108.02205	0.3
109.02970	4.0
110.14127	0.2
113.02453	0.6
116.89523	0.2
117.03475	0.5
119.03527	0.5
119.05017	0.9
121.02970	100.0
122.03281	3.3
123.04535	3.1
125.02473	1.0
127.11285	0.2
133.02965	0.4
135.04514	0.5
135.08185	0.2
137.02448	0.6
139.04065	0.2
143.03502	0.2
145.02963	2.0
146.04607	0.3
147.04532	0.6
149.02448	0.5
150.03252	0.2
151.00386	0.4
151.04028	2.0
155.10738	0.3
159.04520	0.5
161.02390	0.5
161.04581	0.3
162.03154	0.3
163.04053	0.6
163.11319	0.5
164.01132	0.2
165.01938	0.4
165.12866	0.4
176.01064	0.2
177.00473	0.3
177.01947	5.0
177.03923	0.3
178.02361	0.3
179.05667	0.3
187.04053	0.6
189.01949	10.2
190.02686	2.1
191.03525	2.7
191.05301	0.3
201.01930	0.2
201.11339	5.1
203.03529	1.3
205.05101	0.6
209.11842	13.6
210.12180	0.7
216.00600	1.8
217.01427	8.8
218.02086	0.9
219.02986	3.3
220.03394	0.4
227.12901	2.3
228.13229	0.2
229.05034	0.2
231.02986	3.2
232.03575	0.5
233.04460	0.2
235.08197	0.4
241.04947	0.3
245.08286	0.3
269.04556	0.3
271.06158	0.8
281.04584	0.5
283.06274	0.3
287.05493	0.4
289.07092	1.0
297.07721	0.4
311.05676	1.2
323.05475	0.5
325.07205	0.2
341.06680	21.1
342.06985	2.0
350.27795	0.2
379.12497	0.5
397.13553	3.8
398.14014	0.5
415.14679	0.9
417.11902	23.5
418.12241	3.4
435.10837	30.7
436.11221	4.1
483.12637	0.2
599.25214	0.3
607.26154	0.4
803.30322	0.2
821.31293	0.3
852.46503	0.5
853.29712	0.3
853.46796	0.3
871.10974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.369
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98523	0.2
65.00351	0.2
66.26584	0.1
70.81566	0.1
70.81931	0.1
71.01385	0.5
72.99336	0.1
73.02959	0.1
78.95920	0.2
79.95727	0.1
83.01398	0.1
83.05029	0.1
85.02954	0.1
88.98859	0.1
89.02457	0.1
93.03483	0.2
96.96028	0.5
96.96997	0.2
97.03004	0.1
101.02491	0.2
107.01433	0.2
108.02169	0.1
109.03012	0.1
109.06596	0.1
113.02514	0.1
114.93422	0.1
116.92898	0.2
119.05036	0.5
121.02970	0.1
123.04521	0.1
125.02423	0.3
129.02034	0.1
137.02460	0.1
145.02988	0.1
151.00374	0.7
151.04012	0.1
152.99704	0.1
163.04042	0.1
163.11359	0.1
165.01979	0.2
168.00566	0.1
171.10307	0.1
177.01987	0.1
183.13997	0.1
197.11694	0.1
201.11472	0.1
207.10298	0.1
209.11819	0.6
210.12206	0.2
211.13397	0.5
212.13739	0.2
217.99974	0.1
225.11433	0.1
228.13260	0.1
271.06100	4.2
272.06491	0.4
289.07257	0.1
308.54587	0.1
397.13770	0.2
398.13678	0.1
610.28363	0.1
668.68420	0.1
789.37659	0.4
790.37897	0.1
820.32446	0.1
852.37701	0.2
853.39978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98544	0.2
63.99265	0.2
69.81588	0.1
71.01389	0.6
78.95911	0.3
79.95793	0.1
80.91692	0.1
83.01421	0.2
89.02460	0.1
93.03482	0.2
95.01392	0.1
95.05093	0.1
96.96027	0.2
96.96947	0.1
100.06205	0.1
101.02480	0.3
107.01437	0.2
108.45515	0.1
109.02980	0.1
113.02459	0.2
116.92891	0.3
118.28475	0.1
119.05066	0.4
125.02455	0.3
125.03323	0.1
135.04599	0.1
137.02457	0.2
151.00409	0.6
157.39024	0.1
161.02444	0.1
163.11293	0.1
165.02013	0.2
177.01959	0.2
179.05544	0.1
203.48528	0.1
207.10349	0.2
209.11845	1.1
210.12242	0.4
211.13402	0.7
212.13768	0.3
225.11462	0.2
227.12936	0.1
228.41679	0.1
271.06104	2.0
289.07275	0.2
327.21790	0.3
397.13611	0.3
398.13867	0.2
461.28979	0.1
668.29034	0.1
670.24414	0.1
870.98724	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	850.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98830	100.0
62.98544	0.1
62.99259	0.1
65.27196	0.1
69.51260	0.1
70.21060	0.1
71.01392	0.5
72.63573	0.1
74.87323	0.1
78.95913	0.4
80.96512	0.2
83.76043	0.1
89.02453	0.1
96.96028	0.2
96.96977	0.2
98.19825	0.2
109.06639	0.1
116.92867	0.2
125.02489	0.3
137.02490	0.2
152.99615	0.2
165.01976	0.1
197.12009	0.1
207.10327	0.1
209.11882	0.7
225.11285	0.2
229.49370	0.1
435.17831	0.1
503.33768	0.1
689.69653	0.1
850.39130	0.1
851.39935	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.8
65.00303	0.4
69.03439	0.2
70.60597	0.2
71.54793	0.3
71.55113	0.2
72.97617	0.2
75.00857	0.2
83.01402	0.4
85.02942	0.4
89.02448	0.4
93.03461	0.6
99.00896	0.3
101.02445	0.6
106.79173	0.2
107.01370	0.5
109.02947	0.4
113.02420	0.4
119.05029	0.9
121.02922	0.2
125.02460	1.2
137.02455	0.6
149.06035	0.3
151.00366	2.0
153.01936	0.4
159.04398	0.2
161.02441	0.2
163.00386	0.3
165.01941	0.6
169.01549	0.2
169.06628	0.2
175.03912	0.3
176.04700	0.3
177.01880	0.3
177.04100	0.2
178.99863	0.3
179.03467	0.6
183.04469	0.5
187.03990	0.5
194.73808	0.2
211.04048	0.7
227.03481	34.1
228.03821	2.4
229.05006	0.5
255.02953	42.6
256.03525	6.8
257.04279	0.6
269.04642	0.2
271.06073	3.9
272.06277	0.4
284.03232	55.3
285.03894	14.4
286.04349	0.8
327.05103	0.6
385.12814	0.4
417.08231	100.0
418.08566	11.9
433.11359	0.4
533.74561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	19.3
60.97123	0.3
61.98827	11.4
67.01912	0.5
68.99812	0.8
69.03456	1.9
71.01381	79.0
71.05008	0.5
71.59142	0.4
72.01717	1.6
72.99303	1.7
73.02950	6.1
75.00870	0.6
80.02686	1.6
81.03459	3.8
83.01389	1.9
83.05032	7.1
84.02173	1.2
85.02954	6.2
86.03383	0.3
87.00876	6.0
88.98810	1.7
89.02451	15.6
91.03997	0.4
93.03474	1.8
95.01393	2.0
95.05034	2.5
97.02956	6.1
97.06596	1.1
99.00881	2.5
99.04527	0.7
101.02452	14.4
102.02808	0.4
105.02094	0.3
106.04250	0.3
107.01415	0.4
107.05006	0.7
108.02150	0.6
109.02943	1.5
109.06599	8.2
109.27737	0.3
110.03746	0.9
111.00880	0.5
111.04519	1.2
111.08171	0.6
113.02459	9.0
115.04062	0.4
119.03509	3.6
119.05020	0.8
121.02966	0.6
121.06582	0.5
123.04562	0.9
123.08161	0.8
124.01678	0.6
125.02453	7.8
125.06103	0.9
125.09717	2.9
126.02792	0.4
127.11290	2.2
131.03523	0.9
133.01408	0.3
135.04552	0.7
135.08154	2.3
136.05258	0.4
137.02461	1.5
137.09743	0.6
139.04036	0.6
139.07651	1.0
141.01962	1.0
142.02737	0.5
143.03502	2.5
145.02937	0.7
145.10292	0.4
149.04539	0.5
149.09735	0.7
151.00401	1.0
151.04065	0.6
151.11282	0.6
152.01065	0.4
153.09225	0.5
153.12880	0.4
155.10776	2.1
161.04573	3.3
161.09764	1.1
163.04016	0.6
163.11285	10.2
164.11575	0.3
165.01880	0.8
165.09236	0.8
165.12843	2.4
167.03503	0.6
167.10756	0.7
169.12363	0.5
171.10275	28.8
172.10709	1.4
179.05609	4.3
179.07019	0.5
179.10780	1.0
181.12355	3.9
182.12691	0.4
183.10226	0.8
185.04561	0.5
185.11777	2.4
189.09230	1.2
191.05656	0.5
191.10735	1.2
197.11893	1.8
199.06081	0.4
199.09747	1.4
199.13408	0.9
201.11320	19.6
202.11786	0.7
203.05562	0.4
205.05000	0.6
207.10265	22.3
208.10570	1.9
209.11826	100.0
210.12181	6.9
211.13400	0.4
215.12845	2.5
216.13351	0.4
217.07196	0.5
221.06581	1.4
221.11884	0.6
223.13527	0.5
225.11307	32.7
226.11629	2.3
227.12877	14.0
228.13181	0.8
233.11790	0.5
235.08173	4.4
236.08615	0.4
243.12401	3.6
251.12875	1.3
253.09203	1.5
263.07751	0.6
263.12802	0.7
271.06107	1.4
272.06384	0.6
287.07715	1.0
289.07181	1.0
299.15018	0.4
305.08728	1.4
323.09842	1.2
375.27542	0.5
379.12476	3.7
380.12747	0.5
397.13495	28.3
398.13702	2.5
399.21750	1.0
415.14606	8.7
416.15167	0.4
417.22775	1.7
435.23581	0.6
439.14539	1.3
440.14777	0.3
457.16064	0.5
551.22595	0.7
569.24524	1.0
589.24506	0.5
605.24481	2.4
607.26270	1.2
623.25555	5.2
624.25897	0.9
641.26459	0.8
797.35889	1.7
815.37238	4.3
816.37561	1.3
833.38123	5.3
834.38855	2.4
851.39233	3.9
852.37946	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.1
61.98829	100.0
62.98538	0.2
67.04785	0.0
71.01395	0.5
72.99289	0.1
78.95927	0.1
79.95736	0.1
80.96509	0.1
85.62817	0.0
88.98840	0.1
89.02456	0.1
94.98141	0.1
96.96017	0.1
96.96954	0.1
97.02988	0.1
98.19901	0.1
101.02465	0.1
109.06594	0.1
163.11209	0.1
171.10332	0.2
201.11290	0.1
204.25418	0.1
207.10268	0.1
209.11858	0.6
210.12180	0.1
225.11304	0.2
229.62872	0.1
260.99734	0.0
319.98227	0.1
327.21677	0.1
397.13821	0.1
429.71436	0.1
547.36542	0.1
851.40674	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	850.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
59.06120	0.1
61.98827	100.0
62.98528	0.2
71.01395	0.2
71.59495	0.1
78.95914	0.2
80.91702	0.1
96.95988	0.2
101.02517	0.1
137.02483	0.1
161.02480	0.1
209.11719	0.2
211.13419	0.1
278.77502	0.1
357.70627	0.1
363.19785	0.1
405.93661	0.1
438.23785	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	850.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
61.98828	100.0
62.98536	0.2
63.99260	0.1
66.64350	0.1
68.07546	0.1
71.01394	0.2
71.62675	0.1
78.71895	0.1
78.91922	0.1
78.95921	0.2
80.91686	0.1
89.02444	0.1
96.96043	0.1
97.02986	0.1
116.92912	0.1
125.02471	0.1
165.02065	0.1
165.12787	0.1
181.35558	0.1
197.11887	0.1
207.10539	0.1
209.11913	0.2
225.11372	0.1
225.42482	0.1
253.09335	0.1
291.19833	0.1
309.20837	0.1
355.79376	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	850.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98829	100.0
62.98528	0.2
62.99242	0.1
71.01402	0.4
73.02951	0.1
78.95914	0.3
83.01425	0.1
83.05064	0.1
85.02994	0.1
89.02460	0.2
94.68793	0.1
96.96087	0.1
97.02943	0.1
101.02465	0.2
111.95596	0.1
113.02481	0.1
116.92892	0.1
117.60192	0.0
119.03482	0.1
119.05068	0.1
123.04574	0.1
125.02489	0.2
137.02487	0.1
143.03592	0.1
149.02431	0.1
151.00385	0.1
161.02386	0.1
165.01921	0.1
171.10321	0.1
183.13925	0.5
201.11322	0.1
207.10344	0.1
209.11853	0.6
210.12163	0.1
211.13394	0.7
223.09984	0.1
225.11356	0.1
227.12921	0.1
289.07330	0.1
329.81656	0.0
397.13565	0.2
408.74597	0.1
442.35614	0.1
452.95001	0.1
503.33829	0.1
814.36749	0.1
819.40265	0.8
851.43030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98830	100.0
62.98535	0.2
62.99256	0.1
65.00312	0.2
69.03443	0.1
71.01384	0.7
71.19179	0.1
72.99302	0.2
75.00887	0.2
78.95919	0.6
80.51903	0.1
81.03481	0.1
82.29435	0.1
83.01398	0.3
83.05022	0.2
85.02963	0.2
87.00918	0.2
88.98801	0.1
89.02465	0.4
93.03519	0.2
97.03010	0.1
97.06597	0.1
98.19865	0.2
101.02463	0.5
107.01440	0.2
109.02988	0.1
113.02465	0.2
114.51244	0.1
116.92884	0.2
119.05041	0.7
121.02958	0.1
122.03683	0.1
123.04527	0.2
125.02477	0.6
129.01978	0.1
137.02473	0.3
149.02458	0.1
151.00421	1.2
151.04028	0.1
152.00771	0.1
152.99556	0.2
155.10733	0.1
161.02417	0.2
161.04549	0.1
163.11304	0.1
164.01100	0.2
165.01939	0.3
169.01482	0.1
171.10301	0.5
183.13931	0.2
207.10234	0.3
209.11852	2.5
210.12292	0.2
211.13364	1.2
225.11391	0.3
227.12975	0.4
229.71214	0.1
271.06110	5.4
272.06479	0.6
278.00671	0.1
287.05472	0.2
289.07327	0.2
323.09879	0.1
323.98199	0.1
366.92914	0.1
397.13644	0.7
415.14594	0.1
454.61514	0.1
616.37488	0.1
705.37067	0.2
714.40326	0.1
775.79614	0.1
776.43860	0.5
787.35736	0.4
788.36707	0.2
850.39789	0.1
851.40729	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98830	100.0
62.98535	0.2
71.01399	0.4
71.59145	0.2
73.02962	0.1
78.95919	0.3
87.88792	0.1
88.98827	0.1
96.96035	0.2
100.62888	0.1
101.02488	0.1
109.06615	0.1
116.92896	0.3
123.04529	0.1
125.02481	0.3
137.02504	0.1
145.03026	0.1
151.00366	0.1
152.99643	0.2
161.02397	0.1
171.10320	0.3
183.13986	0.1
197.11917	0.2
201.11330	0.1
207.10396	0.2
209.11887	0.8
211.13315	0.2
225.11346	0.2
225.14967	0.1
227.13005	0.1
373.86841	0.1
397.13583	0.2
416.97903	0.1
462.33731	0.1
503.34177	0.2
758.42511	0.1
812.05707	0.1
819.41394	0.2
851.40930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98827	100.0
62.98535	0.2
70.69008	0.1
71.01389	0.3
71.59329	0.1
75.00868	0.1
78.95908	0.4
88.98827	0.1
93.11421	0.1
96.96042	0.3
96.96944	0.1
119.05067	0.1
125.02412	0.1
137.02516	0.1
152.99570	0.1
163.11362	0.1
168.04305	0.1
171.10318	0.1
173.09320	0.1
178.12617	0.1
207.10367	0.1
209.11806	0.6
210.12187	0.1
211.13367	0.1
225.11293	0.1
231.77211	0.1
253.09370	0.1
287.07144	0.1
291.19568	0.1
293.21167	0.1
327.22061	0.1
515.30389	0.1
523.39435	0.1
624.66125	0.1
673.34192	0.1
758.43805	0.1
817.14691	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	848.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
61.98831	100.0
62.98535	0.1
63.99244	0.2
71.01396	0.8
71.64941	0.2
71.65345	0.1
72.51825	0.1
72.99324	0.1
88.98829	0.3
89.02460	0.1
101.02469	0.2
109.06629	0.1
116.92879	0.1
127.07635	0.1
163.11330	0.1
171.10338	0.2
173.04619	0.3
207.10251	0.1
209.11873	0.9
210.12184	0.2
225.11220	0.2
227.12941	0.2
250.38809	0.1
284.18198	0.1
397.13977	0.1
683.33252	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	847.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	4.5
60.99308	4.7
61.98829	46.2
71.01382	5.6
71.63506	0.7
72.99307	5.9
73.02917	0.7
75.00880	1.5
78.95901	2.3
80.02683	1.5
81.03462	1.3
83.01414	1.1
83.05043	4.1
84.02162	0.9
85.02942	1.4
87.00880	1.0
88.98812	29.2
89.02428	3.1
89.99130	1.4
90.99236	1.2
93.03438	0.5
95.05037	1.1
95.46882	0.5
97.02929	1.5
101.02455	3.0
101.03018	0.6
105.72618	0.6
109.06601	0.9
111.08162	3.5
113.02448	1.9
115.03990	0.6
116.92905	0.7
119.03429	1.1
125.02475	0.7
125.06147	0.8
143.03525	0.9
161.04637	1.7
163.11269	3.4
165.12895	3.4
169.12338	1.2
171.10284	2.9
181.12401	1.3
183.14012	0.8
191.10872	0.7
197.11833	14.9
198.12169	1.1
199.13354	1.1
207.10243	0.9
209.11829	100.0
210.12170	7.2
211.13376	4.2
227.12886	11.7
228.13164	0.9
235.08232	4.3
244.59091	0.5
247.20824	0.8
253.09274	12.0
254.09508	0.7
273.18549	1.1
291.19635	16.4
292.19986	1.4
309.20697	44.5
310.21127	5.1
334.75781	0.6
445.20749	4.4
501.32275	1.3
502.32162	1.0
521.65063	0.8
527.28821	1.3
545.29761	2.4
605.19958	0.6
612.88623	0.8
847.50494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98828	100.0
70.79810	0.3
71.01398	0.2
72.03539	0.1
78.95934	0.3
88.98831	0.3
89.02436	0.1
97.06606	0.1
101.02519	0.1
103.86258	0.1
116.92885	0.3
125.09724	1.2
129.10371	0.5
152.99622	0.2
164.09644	0.1
183.20776	0.1
187.09773	0.9
195.98184	0.1
207.15118	0.4
224.17688	0.1
242.18742	0.1
259.14508	0.2
277.21570	0.2
295.21570	0.3
393.18311	0.1
506.63361	0.1
556.36548	0.1
782.37299	0.2
782.52112	5.2
783.52148	1.9
845.45392	1.2
846.46771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.5
61.98830	34.9
68.99831	0.8
69.03452	2.7
71.01384	100.0
71.05036	1.3
71.50967	1.1
72.01735	1.9
72.99310	2.0
73.02940	3.5
75.00868	4.4
78.95911	5.1
81.03438	1.1
83.01388	2.2
83.05036	2.9
85.02970	5.4
87.00903	3.2
88.98786	1.2
89.02450	11.3
93.03449	1.3
95.01430	2.0
95.05040	0.9
96.95986	1.0
96.97002	0.9
97.02954	4.3
99.00890	2.2
101.02448	9.5
109.02974	2.2
109.06614	6.4
111.04526	0.8
113.02464	7.2
116.92860	1.0
119.03514	2.9
119.05019	1.1
120.67767	0.6
121.02955	1.0
121.06625	0.9
123.04501	1.2
125.02477	6.6
125.09729	1.8
127.11307	1.5
131.03540	1.2
135.08165	1.1
137.02515	0.9
139.07719	0.7
141.01894	1.0
142.02704	0.8
143.03516	2.0
145.02950	1.0
149.04601	0.8
149.09790	1.5
150.03110	0.8
151.00430	2.1
151.04039	1.9
152.00888	0.7
152.99663	1.0
155.10774	1.1
158.76643	0.7
161.02495	0.9
161.04584	2.5
163.11295	4.4
165.02013	1.1
165.12889	0.8
167.10809	2.1
169.01355	0.7
171.10274	13.1
177.01926	1.3
177.12862	1.3
179.05647	3.0
179.10815	0.9
179.14453	1.1
181.12300	3.3
185.11911	1.8
185.18062	0.7
189.09149	1.0
191.05640	0.8
195.13908	3.6
197.11826	1.0
199.09756	0.9
201.11317	10.1
202.11647	1.1
205.12370	3.0
207.10262	19.2
208.10599	1.8
209.11829	14.1
210.12247	0.8
211.13383	2.9
215.12950	1.5
221.06729	1.4
221.11861	3.3
223.13393	24.5
224.13786	1.5
225.11325	20.7
226.11745	1.0
227.12926	2.3
235.08293	3.0
239.12924	5.0
243.12434	2.2
253.09348	1.4
263.07791	0.9
271.06137	3.1
287.05331	1.0
289.07227	1.4
379.12613	2.2
395.22308	1.1
397.13489	16.1
398.13889	2.1
403.25015	1.2
413.23447	2.9
415.14462	6.4
431.24243	2.0
499.74597	0.8
505.27530	0.9
569.24121	1.0
603.27039	1.1
605.24835	2.4
621.27625	1.4
623.24982	3.9
682.80957	0.7
811.38098	4.0
829.38770	7.8
830.39709	2.8
840.02911	1.0
847.39136	5.4
848.38666	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	845.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
60.10437	0.2
60.99306	17.4
61.98832	3.0
71.01382	0.4
71.61066	0.2
78.95914	0.5
87.00882	0.6
88.00414	1.3
88.98812	100.0
89.02444	4.4
89.99141	1.1
101.02454	0.2
113.63792	0.1
116.92846	0.2
125.02435	0.3
171.10294	0.4
197.11844	0.2
207.10223	0.2
209.11824	1.5
210.12244	0.2
213.74960	0.2
223.13327	0.4
227.12950	0.2
239.12891	0.2
252.97324	0.2
253.09256	0.3
291.19608	0.3
293.21237	0.5
309.20712	0.5
397.13193	0.2
558.07104	0.2
685.47681	0.2
772.42517	0.2
800.22809	0.2
845.50452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
60.99305	0.4
61.98834	3.3
66.03152	0.3
66.03480	1.1
66.38849	0.3
69.44705	2.8
71.01379	0.8
72.00888	0.6
74.02475	0.4
74.90922	0.3
78.95928	0.3
80.05071	0.7
82.06626	2.9
83.05035	0.5
87.00880	4.4
87.05644	1.2
88.00401	1.5
88.98815	1.7
89.02451	0.5
93.03455	0.4
108.08194	0.7
110.02464	0.4
113.03579	0.6
115.08781	1.4
116.92878	0.4
119.05040	2.8
125.02522	0.6
125.07170	0.5
126.05652	0.3
129.60919	0.3
134.06093	0.4
141.06725	6.4
148.07726	0.8
150.09248	2.8
151.08781	0.6
153.06697	0.7
160.04065	0.3
161.02502	0.4
161.07236	0.5
163.04012	2.5
164.10791	0.8
166.07509	0.5
168.11429	0.5
169.09836	1.0
171.10330	0.5
175.08784	0.9
177.10336	0.7
177.11604	3.9
177.13916	1.5
178.12308	1.0
179.13164	4.2
180.06659	9.9
180.13789	0.8
181.07060	0.3
189.10342	2.9
191.11877	0.4
193.13463	7.7
194.13831	0.4
197.11812	0.4
201.11382	0.5
203.11913	1.6
204.12683	6.0
205.13336	1.4
206.04572	0.6
207.11429	0.4
208.10870	0.7
209.11763	2.4
212.10379	1.0
216.06589	0.5
218.12144	0.6
218.14238	3.4
225.11253	0.4
226.11929	0.6
231.15060	0.4
232.10838	0.5
243.18634	1.0
247.13351	1.0
252.13484	0.5
253.09207	0.5
260.14029	0.5
261.19687	100.0
262.20004	7.7
289.10446	0.3
293.21262	1.0
303.19458	0.5
304.20288	19.9
305.20667	1.6
330.18353	0.5
332.16287	0.7
356.71500	0.3
376.15094	17.0
377.15546	1.6
446.27448	0.6
464.25470	0.3
465.17868	0.3
514.28290	0.4
619.36438	0.7
641.71655	0.3
663.35046	3.0
664.35321	0.7
681.36353	54.5
682.36572	12.0
684.78168	0.4
723.37280	3.0
724.37360	0.5
789.55591	0.4
843.41730	10.6
844.41870	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	842.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98829	100.0
62.98555	0.2
63.02406	0.3
63.99262	0.4
65.00313	0.9
69.30357	0.5
69.30788	0.5
71.01392	0.4
73.02951	0.2
75.00864	0.1
76.97855	0.1
78.95926	0.1
79.93032	0.1
83.01395	0.8
85.02979	0.1
87.04503	0.1
88.98831	0.2
89.02461	0.1
93.03467	1.1
96.96033	0.1
97.02994	0.1
101.02422	0.1
107.01413	1.6
108.01711	0.1
109.02965	0.4
111.00894	0.1
114.34126	0.1
116.92858	1.4
117.01994	0.1
117.03469	0.2
117.92895	0.3
119.05038	4.1
120.05393	0.2
121.02990	0.2
123.04547	0.2
125.02452	1.4
133.02959	0.1
137.02475	0.4
145.02957	0.4
150.03247	0.1
151.00386	6.8
151.03990	0.2
152.00768	0.3
155.10800	0.6
161.02496	0.2
161.06145	0.1
163.04041	0.2
165.01956	0.5
165.05664	0.1
169.01440	0.3
171.79428	0.1
175.00452	0.1
175.04050	0.1
177.01904	0.8
181.07198	1.7
181.08662	0.1
185.06032	0.2
187.04005	0.3
199.09784	1.1
203.07231	0.1
209.11916	0.1
227.07198	0.3
241.10860	0.3
243.03178	0.1
259.06119	0.3
271.06094	22.5
272.06433	2.2
273.06851	0.1
283.12018	0.2
287.05756	0.4
289.07123	0.3
295.06125	0.3
314.55002	0.1
343.13977	2.5
343.22699	0.1
344.14261	0.2
345.15573	2.0
346.15601	0.2
363.16568	1.4
364.16962	0.2
405.17749	0.2
487.34195	0.2
488.34488	0.2
507.20767	2.7
508.21161	0.3
615.20398	0.7
617.21570	0.3
779.27881	1.5
780.28351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.8
61.98826	8.9
67.10497	0.4
69.03464	1.7
71.01382	8.0
72.99303	0.8
73.02949	1.4
77.78754	0.5
78.95921	1.4
80.19595	0.4
81.03452	0.4
83.01398	0.7
83.05015	0.8
85.02956	6.9
87.00887	1.7
89.02458	4.4
95.01385	1.0
95.05059	0.6
96.95996	0.7
97.02969	1.7
97.06586	2.3
98.20634	1.4
99.00903	0.7
101.02462	5.5
104.26070	0.4
109.06581	0.7
113.02467	4.1
113.09734	0.5
119.03520	1.3
119.08733	0.5
125.02396	0.6
125.06142	0.4
125.09756	0.8
127.11327	1.0
131.03485	0.5
133.05075	0.7
137.09714	1.7
145.05121	0.5
155.10786	0.9
161.04594	3.2
165.12849	0.9
167.10765	0.5
171.08792	0.9
171.10283	19.1
172.10606	1.1
177.12830	0.9
179.05553	1.0
179.14424	1.0
181.12289	0.9
183.13895	2.5
185.11842	1.1
190.23819	0.4
193.12283	0.6
195.13918	8.0
196.14417	1.0
197.11844	0.7
201.11288	0.8
205.12292	0.5
205.16060	0.7
207.10291	1.1
209.11816	2.2
211.13391	11.7
214.80139	0.4
221.11847	1.7
223.13388	6.2
224.13747	0.7
227.12837	0.7
228.13635	0.6
229.14410	8.1
229.57811	0.6
230.14769	0.5
231.21030	0.6
235.08224	8.4
239.12888	1.6
253.09274	37.3
254.09610	1.6
256.13196	1.2
264.18802	0.4
275.20181	5.8
289.07428	0.5
291.19644	4.4
292.20010	0.5
293.21216	100.0
294.21545	9.2
309.20670	7.5
310.21078	1.2
327.21762	76.3
328.22098	7.9
347.60229	0.4
469.28720	0.5
475.13214	0.4
492.21936	0.5
529.29419	2.2
530.29779	0.6
545.29279	1.9
546.29755	0.8
563.30841	7.4
564.31073	0.9
603.42474	4.8
604.43286	1.1
840.51935	0.4
855.72491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.6
61.98582	0.6
61.98832	7.2
65.03948	1.0
67.01886	1.0
68.99824	0.8
69.03461	2.0
71.01378	2.7
71.33931	1.2
74.64570	0.6
75.00874	2.2
77.04005	0.7
79.02396	0.6
79.65005	0.7
81.03460	7.2
83.01392	9.2
84.02981	0.6
84.26871	0.7
85.02963	2.3
85.25529	0.6
87.00858	0.8
88.98809	1.0
89.02449	1.0
93.03476	4.0
95.01399	1.6
95.05029	3.8
97.02977	6.6
99.04520	3.4
101.02463	1.6
107.05037	2.6
108.02184	1.1
109.02979	7.8
113.02459	1.8
119.05025	2.2
119.58044	0.7
119.69575	0.6
121.02982	6.0
122.03790	3.8
123.00851	1.4
123.04551	5.1
124.01660	2.8
125.02461	50.8
126.02789	1.0
131.05057	0.9
133.02962	2.5
134.03848	0.7
135.04556	3.6
137.02463	82.9
138.02713	3.1
139.03998	2.7
145.02956	1.3
146.03752	15.8
147.04431	1.3
149.02470	3.9
149.06070	2.6
150.03276	4.8
151.00391	1.1
151.04037	8.4
152.01102	0.8
153.01891	1.0
154.02728	0.9
157.06616	1.3
158.03766	1.2
159.04507	5.6
161.02444	2.1
161.05981	1.4
163.00360	1.6
163.04079	1.5
163.07643	0.7
164.01173	20.4
165.01947	57.1
166.02434	1.9
167.03510	42.2
168.03830	1.1
171.04488	0.7
172.05299	3.0
173.04645	1.3
173.06071	15.4
173.09799	0.7
174.03226	6.6
174.06879	5.3
175.03944	3.3
175.07658	23.6
176.04782	5.9
176.08075	1.4
177.01945	11.1
177.04045	1.0
177.09219	1.1
178.99890	0.8
179.02086	1.3
179.03514	16.0
180.03828	1.2
181.05093	1.4
185.06036	1.2
186.06900	0.9
187.04004	3.0
187.07642	5.5
188.04814	3.9
188.08319	0.9
189.02022	0.8
189.05515	1.1
189.09213	5.1
190.02702	3.4
190.06313	1.2
191.03407	2.2
191.05542	1.1
191.07112	1.5
197.05937	0.7
198.06818	0.9
199.04037	0.7
199.07611	2.2
200.04808	5.1
201.05565	3.8
201.09161	5.3
202.06297	2.7
203.03499	1.0
203.07137	13.0
204.04301	2.3
204.07619	1.3
205.08678	4.5
211.03989	2.0
211.07640	1.5
212.04640	1.5
213.05525	1.3
213.09209	2.4
215.07120	2.8
216.07878	1.7
217.08687	30.5
218.09058	2.1
219.10207	1.0
225.05608	2.5
226.06287	2.0
227.07031	1.7
229.08691	24.9
229.10861	1.4
230.09229	1.3
237.05563	1.0
237.09309	0.8
239.07181	1.9
239.10768	4.2
240.07921	1.2
241.08701	4.0
244.07271	1.3
245.08139	0.7
247.09776	8.6
251.07162	1.7
252.07896	1.5
253.04985	0.7
253.12227	0.7
254.05823	1.1
254.09648	1.0
255.10326	3.7
257.08459	0.7
257.11743	3.2
265.08743	1.4
266.09671	0.7
268.07367	2.0
270.08862	1.5
271.05814	0.8
273.11343	1.7
279.06808	0.8
279.10342	1.1
281.11844	6.8
282.12186	0.8
283.09760	4.1
285.04074	1.3
287.05533	1.4
288.06305	1.1
289.07172	0.9
293.08286	0.9
294.08936	4.0
295.09592	0.7
295.13184	0.9
296.06903	1.3
297.11325	4.5
299.12857	6.7
301.10876	1.2
305.11694	0.9
320.06879	1.4
323.12906	20.2
324.13226	1.9
325.10736	1.4
339.12204	0.8
341.10193	2.0
341.14053	2.6
342.07001	0.9
349.10681	4.9
350.10699	0.7
367.11865	81.7
368.12210	9.4
385.12918	100.0
386.13229	11.8
435.11932	0.6
446.66165	0.7
453.23315	1.6
494.73184	0.7
839.28442	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	839.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.0
69.03464	0.3
71.01382	3.9
73.02950	3.0
75.00883	0.7
83.01392	0.9
85.02961	2.6
87.00880	0.5
87.04528	0.3
89.02447	0.7
93.03470	0.7
95.01427	0.4
95.05037	0.3
97.02969	0.4
98.20696	0.4
99.00895	0.6
101.02452	4.2
101.31780	0.2
109.34325	0.2
113.02489	1.6
119.05003	0.5
119.08685	0.3
122.03727	0.2
125.02447	0.4
135.08186	2.7
137.02477	0.5
137.09741	9.8
138.10083	0.5
145.02965	0.5
151.00389	0.7
155.10796	55.8
156.11127	2.4
159.03030	0.4
161.04544	1.6
163.04066	0.2
165.01994	0.2
173.04590	0.3
177.01981	0.2
181.08739	3.4
182.09091	0.3
191.05713	0.3
195.05031	0.2
199.07758	1.0
199.09753	15.0
200.10109	0.9
223.08212	1.2
243.06541	0.5
271.06119	1.4
272.06485	0.2
405.17636	100.0
406.17902	10.4
655.08282	0.2
677.22687	0.4
839.28864	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98829	100.0
62.98527	0.2
62.99255	0.1
69.07604	0.0
71.01392	0.4
72.99337	0.1
73.02947	0.1
78.95912	0.1
83.01412	0.1
85.02995	0.1
87.00879	0.1
88.98843	0.1
89.02453	0.1
93.03492	0.2
97.02996	0.1
98.20650	0.2
99.92667	0.1
101.02467	0.1
108.02206	0.1
109.02975	0.1
113.02490	0.1
114.93407	0.5
116.92878	0.1
119.05051	0.1
123.04471	0.1
124.01725	0.1
125.02470	0.2
137.02515	0.2
149.02423	0.1
151.00388	0.1
162.03296	0.1
163.11357	0.1
164.01170	0.1
165.02049	0.1
171.10268	0.0
177.01970	0.1
197.12149	0.1
207.10330	0.1
209.11824	0.5
210.12151	0.1
211.13449	0.1
212.13774	0.1
227.12981	0.2
228.69914	0.1
247.63811	0.1
271.06247	0.1
287.05630	0.1
289.07202	0.1
397.13501	0.1
458.78192	0.1
473.21213	0.1
624.36353	0.1
836.38135	0.1
837.39325	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	836.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.81064	0.0
62.98546	0.2
62.99242	0.1
70.26992	0.2
78.95931	0.1
98.19938	0.1
145.93365	0.0
278.22125	0.1
413.01019	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	837.504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01097	0.9
59.01374	12.4
61.98827	6.4
63.06944	0.7
69.03442	2.7
71.00376	1.4
71.01378	9.7
73.02937	2.0
73.05269	0.7
78.95903	1.9
80.02679	0.6
81.03444	1.4
83.01393	3.1
83.05032	2.4
85.02950	3.4
87.00871	2.1
89.02438	6.6
95.01394	1.6
95.05031	2.7
96.96025	5.4
96.96976	1.5
97.02940	2.0
97.06577	4.4
99.00883	0.7
99.92583	3.1
101.02453	9.5
107.05039	0.7
109.06587	1.4
111.00909	0.6
111.04522	0.9
111.08170	10.1
111.44875	0.6
113.02460	4.7
113.09703	0.8
115.92070	3.1
116.92867	4.4
118.91913	0.6
119.03503	1.5
121.06603	1.1
123.04510	2.2
123.08161	2.1
125.02433	0.8
125.09745	6.3
127.07644	1.0
129.02013	0.7
135.08171	1.1
137.09735	2.7
141.12836	1.0
143.03490	0.9
149.09689	0.8
151.07570	0.6
151.11275	0.7
152.99591	1.5
153.12851	0.8
161.04573	4.5
161.09734	0.8
163.11314	5.3
165.12860	1.7
167.10770	3.3
169.12305	2.0
171.10265	4.6
175.11269	0.6
177.12833	2.4
179.05655	1.0
179.10812	1.6
179.14459	1.6
181.12309	1.6
183.13902	1.0
185.11858	7.7
187.06067	0.7
187.09724	0.7
191.10820	1.2
191.14398	5.7
195.13911	11.4
196.14436	0.7
197.11835	24.8
198.12247	3.0
199.09753	0.6
199.13358	2.0
201.11311	3.1
203.10832	0.6
205.12346	0.9
207.10260	1.7
209.11832	16.8
210.12314	1.6
211.13374	6.0
212.13850	0.6
217.15938	0.7
221.11844	0.7
223.13403	8.1
224.13658	0.8
225.11322	2.1
225.81114	0.6
227.12909	4.2
228.13647	1.7
235.08203	5.0
236.69516	0.6
237.11285	2.5
245.19090	9.6
246.19362	1.1
247.20648	1.6
253.09276	26.1
254.09509	1.5
255.23273	0.8
256.13165	2.1
263.20163	3.7
265.18198	1.0
271.17096	1.4
273.18503	1.5
273.31027	0.7
275.20160	9.9
276.20377	0.8
277.21680	4.0
278.22058	1.2
289.18073	42.4
290.18430	5.4
291.16180	1.2
291.19641	65.0
292.19995	7.0
293.21207	100.0
294.21521	10.0
307.19141	34.0
308.19543	3.9
309.20718	23.9
310.20871	3.2
341.20087	0.8
433.20776	0.8
445.20758	1.9
527.28528	1.1
555.01648	0.7
837.52728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.6
59.01379	8.4
61.98821	0.3
64.67204	0.1
68.99840	0.1
69.03452	0.5
71.01385	8.3
71.05032	0.1
72.01731	0.2
72.99314	0.5
73.02956	1.1
75.00875	0.2
80.02686	1.3
81.02991	0.1
81.03464	1.9
83.01385	1.1
83.05031	5.4
84.02169	1.0
84.05376	0.2
85.02451	0.1
85.02956	1.8
87.00886	2.0
89.02454	7.2
90.02764	0.1
91.35286	0.1
91.49804	0.1
93.03461	0.4
95.01396	0.6
95.05050	0.7
97.02955	1.2
97.06579	0.2
99.00891	0.4
99.04506	0.2
101.02456	5.5
102.02777	0.2
108.02155	0.1
109.02973	0.2
109.06615	0.5
111.00870	0.2
111.04517	0.3
111.08155	0.2
113.02461	3.2
114.02814	0.1
115.03990	0.1
119.03519	1.8
119.04991	0.1
120.03828	0.1
121.03003	0.1
123.00887	0.1
123.04527	0.1
123.08147	0.1
124.01639	0.1
125.02461	2.9
125.06120	0.6
125.09730	0.3
126.44784	0.1
129.01941	0.1
131.03528	0.5
133.05069	0.1
135.04465	0.1
135.08165	0.7
137.02510	0.2
139.03984	0.2
141.01976	0.2
142.84256	0.1
143.03528	1.2
144.03917	0.1
145.03006	0.1
147.11804	0.2
149.04512	0.2
149.09708	0.2
151.00378	0.3
161.04596	1.4
161.05899	0.2
163.11308	4.3
164.11641	0.2
165.12859	2.8
166.13177	0.1
167.03508	0.3
171.10271	0.6
179.05627	1.9
181.12340	0.6
183.13914	0.1
185.11864	0.1
191.10817	0.9
199.06087	0.3
199.13429	0.2
203.05679	0.1
207.10214	0.1
209.11838	100.0
210.12167	6.3
217.07133	0.3
219.05005	0.1
221.06715	0.7
221.11859	0.2
223.13356	0.2
227.12891	15.0
228.13199	0.8
229.14407	0.1
233.11752	0.1
235.08218	2.7
245.06566	0.1
247.13371	0.6
251.12962	0.5
253.09273	0.4
263.07703	0.3
265.14514	0.2
271.06058	0.5
287.07809	0.7
288.08221	0.1
305.08765	0.9
323.09784	0.5
379.12469	2.6
380.12778	0.3
397.13519	18.8
398.13852	1.9
401.23499	0.2
415.14539	5.4
416.14865	0.4
419.24503	0.1
589.24585	0.5
590.24371	0.1
607.26135	1.2
608.26733	0.2
650.35529	0.1
751.23230	0.1
773.35626	0.2
793.14362	0.1
799.37878	0.6
800.38654	0.1
803.32196	0.1
817.38782	0.3
835.39166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	0.5
59.01380	7.5
61.98826	1.1
68.99830	0.1
69.03447	0.5
71.01383	8.1
71.05035	0.2
71.27534	0.1
71.27851	0.1
72.01713	0.2
72.99299	0.6
73.02946	1.4
75.00865	0.3
80.02678	1.2
81.03461	1.7
82.63815	0.1
83.01392	1.1
83.05031	5.2
84.02165	0.8
85.02952	2.0
87.00885	1.9
87.04536	0.1
88.98808	0.2
89.02452	6.7
90.02765	0.1
91.04015	0.1
93.03473	0.5
95.01404	0.7
95.05023	0.8
96.96027	0.1
97.02957	1.3
97.06602	0.3
99.00887	0.4
99.04507	0.2
101.02453	6.5
102.02767	0.1
107.01364	0.1
107.05029	0.1
108.02216	0.2
109.02948	0.4
109.06630	0.5
111.00870	0.3
111.04494	0.3
111.08163	0.1
113.02460	3.7
114.02753	0.1
115.04008	0.1
116.92876	0.1
117.03485	0.1
119.03518	1.7
119.05022	0.4
121.02961	0.2
123.04529	0.2
123.08175	0.1
124.01601	0.2
125.02462	3.2
125.06084	0.6
125.09734	0.3
127.04094	0.1
127.11279	0.1
131.03528	0.4
133.05061	0.2
134.06125	0.1
135.04532	0.3
135.08171	0.7
137.02470	0.5
139.04016	0.3
141.01979	0.2
143.03519	1.4
145.02882	0.2
145.05058	0.1
147.11787	0.3
149.02434	0.2
149.04568	0.2
149.09735	0.1
150.03348	0.1
150.11185	0.1
151.00401	0.5
151.03995	0.2
152.01027	0.1
154.02390	0.1
161.02505	0.2
161.04579	1.7
163.04042	0.2
163.11304	4.5
164.11610	0.2
165.01913	0.2
165.05688	0.1
165.12854	2.7
166.13158	0.2
167.03506	0.3
168.00690	0.1
171.10271	0.7
177.01942	0.2
179.05640	2.0
181.12326	0.7
183.14001	0.1
185.04556	0.2
187.03963	0.1
191.03674	0.1
191.05659	0.1
191.10773	1.2
197.11935	0.1
199.06161	0.2
199.13399	0.4
203.05672	0.1
209.11832	100.0
210.12166	6.2
217.07184	0.3
221.06682	0.8
221.11761	0.2
223.13513	0.1
225.11316	0.2
227.12880	16.9
228.13187	1.1
229.14337	0.2
233.11633	0.1
235.08200	2.3
236.08551	0.2
237.15196	0.1
247.13377	0.4
251.12918	0.6
253.09297	0.5
259.08231	0.2
263.07675	0.3
265.14444	0.2
271.06021	0.9
272.06427	0.2
285.04132	0.2
287.07919	0.8
289.07147	0.3
301.09076	0.2
305.08810	0.7
323.09793	0.7
326.35059	0.1
361.11404	0.1
379.12469	2.8
380.12671	0.3
397.13519	19.3
398.13821	1.9
401.23230	0.2
415.14566	5.3
416.14844	0.3
419.24533	0.2
589.25134	0.4
607.26111	1.5
608.26306	0.3
625.27173	0.1
645.28101	0.1
773.36847	0.2
791.38062	0.1
799.38177	0.8
800.38208	0.2
817.39899	0.5
835.40332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.3
58.36234	0.5
58.74818	0.5
59.01380	15.0
61.98828	100.0
62.98531	0.7
63.99266	0.5
69.03452	1.2
69.29710	3.0
69.30132	1.8
71.01385	30.5
72.99303	1.6
73.02934	2.3
75.00869	0.5
78.95921	1.7
80.96488	0.5
81.03466	1.3
83.01392	2.0
83.05032	1.5
85.02953	3.5
85.66747	0.4
87.00891	3.4
89.02452	10.6
93.03507	0.8
95.01384	1.1
95.05049	0.7
97.02972	2.7
98.20628	0.8
99.00894	1.3
101.02454	11.0
109.06615	2.2
111.00889	0.7
111.04526	0.7
111.08139	1.3
112.44497	0.5
113.02457	5.5
114.93405	0.6
116.92881	3.4
117.08643	0.4
117.92868	0.5
119.03512	2.5
119.05011	0.5
121.02934	0.6
123.04544	1.1
125.02480	4.3
125.09712	0.5
127.11256	0.5
131.03517	0.6
137.02519	1.0
138.11327	0.4
139.04013	0.5
143.03543	0.9
149.02507	0.5
151.00351	0.8
151.03984	0.9
161.04604	1.7
163.11304	1.5
165.01848	0.5
165.12856	7.2
171.10278	3.5
179.05620	1.8
181.05055	0.5
183.13910	52.1
184.14204	3.0
190.35309	0.5
193.12355	0.6
197.11859	0.8
199.09735	0.6
199.13434	2.6
201.11322	3.7
207.10274	5.9
209.11839	11.3
210.12213	1.4
211.13396	11.0
212.13754	0.8
221.06665	2.1
225.11325	5.1
226.11707	0.7
227.12872	10.2
229.14322	0.6
235.08246	2.3
243.12399	0.9
289.07321	0.6
297.11676	0.5
323.09674	0.6
379.12570	0.8
383.22092	0.5
397.13480	7.0
398.13776	0.9
415.14526	2.5
419.24670	0.6
460.54697	0.5
501.32111	1.3
536.01868	0.5
623.26031	0.8
625.27112	1.3
771.36243	0.5
791.41022	1.6
799.38049	1.5
817.38739	5.1
818.38873	1.3
827.30035	0.6
835.39838	51.8
836.40350	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	835.343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.2
59.01377	30.2
60.74113	0.5
61.98825	1.2
66.30514	0.5
71.01385	18.5
72.99301	0.9
73.02934	1.6
80.05062	2.2
82.69706	0.5
83.01398	1.5
85.02577	0.5
85.02972	5.3
87.00886	1.7
89.02452	12.8
91.38291	0.5
95.01385	1.2
99.00901	1.0
101.02455	9.9
104.05069	0.9
106.06636	5.1
107.03783	1.2
107.33073	0.5
108.04571	1.2
109.02927	0.6
113.02468	6.6
119.03506	4.5
120.04581	0.6
122.06130	8.9
123.00886	0.6
123.04503	0.7
125.02454	1.4
130.06592	0.7
131.03600	0.5
132.04572	2.2
134.06137	25.8
135.06461	1.2
136.07690	0.9
137.02496	0.9
146.06128	0.9
148.04083	0.8
150.05626	1.3
151.00323	0.6
152.07193	5.3
160.04080	0.8
160.06422	1.1
160.07671	0.7
161.04585	1.4
165.01836	0.6
174.05611	1.5
179.05620	0.5
180.06686	1.0
186.05670	0.9
187.34750	0.5
188.07170	2.0
190.05125	1.8
209.11864	7.8
210.12120	0.9
211.08794	1.1
211.22702	0.5
213.10347	6.6
223.08609	0.6
224.09407	1.0
225.10315	2.9
226.10896	0.9
227.12813	1.9
235.08800	0.8
237.10353	2.2
238.07571	0.6
239.11905	5.5
240.12184	0.5
241.13474	4.3
247.08585	0.7
248.09550	0.6
249.10266	2.9
250.07356	1.6
251.08205	2.4
251.11899	3.2
252.08955	1.7
253.09824	4.8
261.10492	0.6
262.07535	0.7
263.08301	3.1
264.08929	2.1
265.06320	0.5
265.06802	0.7
265.09744	5.1
266.10507	1.0
267.11365	4.4
275.08301	1.0
276.08960	0.8
277.09854	5.1
278.06952	2.6
278.10513	5.3
279.07709	4.9
279.11322	7.4
280.08231	0.8
280.11792	0.9
285.12436	9.5
289.06958	0.6
290.10666	0.6
291.07715	1.8
291.11301	1.8
292.08463	2.8
292.11688	1.0
293.09293	10.0
293.12857	1.2
294.09970	3.9
295.10892	5.3
296.11246	0.6
305.09256	2.9
306.10034	2.2
307.10919	5.9
308.10904	0.7
309.08978	0.8
309.12430	2.2
309.15604	0.6
313.12784	0.6
314.12537	1.6
321.08701	2.7
321.12140	1.1
322.09421	0.9
322.13351	0.6
328.10886	0.7
328.14435	0.7
332.17667	0.7
333.08875	1.3
337.08197	1.8
337.12048	1.5
339.09866	3.9
340.14545	0.7
341.11301	0.6
342.12341	0.9
343.13083	0.9
350.08893	0.6
351.09747	3.4
352.10330	0.6
356.13879	0.9
356.17804	0.7
357.15045	0.7
358.15485	4.0
370.11713	0.9
370.15796	1.2
372.17206	1.4
382.15692	1.1
383.13043	0.7
384.13129	3.1
384.17645	1.2
385.13974	0.7
397.13815	3.0
398.14944	1.5
399.15573	0.8
400.16699	5.9
401.17233	0.8
410.14978	1.0
412.16974	3.7
413.17249	0.8
414.17963	0.7
417.24899	2.3
424.16772	1.2
425.17474	1.7
426.14410	0.9
438.14691	0.6
440.15756	0.9
441.16928	0.7
442.17749	1.2
444.15579	0.6
458.16977	1.6
468.15506	1.7
476.18375	0.6
485.15231	0.9
486.16791	2.9
487.17801	0.7
502.16370	0.9
504.17538	0.9
517.18079	0.8
548.31927	0.6
605.23376	1.4
620.22498	3.1
621.23206	1.3
622.23389	1.1
634.94171	0.6
638.23743	5.4
639.23755	1.4
648.22339	4.3
649.23364	2.8
666.23151	24.6
667.23120	5.5
680.24139	3.2
681.26605	1.1
698.25720	1.4
712.27460	11.4
713.27661	3.3
727.30096	7.9
728.30548	1.3
743.29785	1.1
759.32819	1.3
771.29132	45.6
772.29279	13.4
785.30341	0.6
803.31659	100.0
804.32037	27.9
835.34259	21.5
836.34869	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	834.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98828	100.0
62.98534	0.2
63.99258	0.1
71.01389	2.1
72.99313	0.1
73.02953	0.2
75.00886	0.1
78.95924	0.2
81.03483	0.1
83.01424	0.1
85.02966	0.2
87.00893	0.2
88.98834	0.1
89.02457	0.5
93.03478	0.1
96.96056	0.1
97.02982	0.2
101.02457	0.5
109.02981	0.1
109.06612	0.1
113.02454	0.2
116.92872	0.4
119.03517	0.1
119.39017	0.1
125.02459	0.4
135.08180	0.1
136.60703	0.1
137.02475	0.2
151.00407	0.1
151.04007	0.1
161.02411	0.1
163.11317	0.2
169.12390	0.1
171.10284	0.5
179.05666	0.1
183.14014	0.1
191.05701	0.1
196.00139	0.1
197.11841	1.1
199.13411	0.2
201.11446	0.2
207.10275	0.7
209.11839	1.2
211.13387	0.9
223.13400	0.3
225.11322	0.5
226.11655	0.1
227.12961	0.6
235.08173	0.1
253.09262	0.1
271.06161	0.3
289.07269	0.2
379.12497	0.2
397.13470	0.9
415.14648	0.2
803.28192	0.1
817.38654	0.3
834.39105	0.2
835.39545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.1
59.75411	0.1
61.98831	100.0
62.98534	0.3
62.99274	0.1
63.99273	0.1
71.01398	0.1
71.65242	0.1
78.91905	0.3
78.95934	0.2
80.91710	0.3
93.83261	0.1
113.94784	0.1
121.97458	0.1
125.02441	0.1
134.56436	0.1
145.03006	0.1
152.99710	0.1
195.28465	0.1
209.11938	0.2
210.12276	0.1
211.13516	0.1
289.44849	0.1
293.21255	0.1
308.64499	0.1
420.85669	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	834.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98546	0.2
71.01399	0.1
71.20221	0.1
78.91902	0.1
78.95941	0.3
91.27991	0.1
114.94007	0.1
115.85630	0.1
116.92872	0.1
209.11874	0.2
211.13423	0.1
241.01154	0.1
293.21481	0.1
309.20969	0.1
834.51825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98532	0.2
64.43207	0.0
70.03632	0.2
70.04046	0.1
71.01394	0.1
78.95912	0.2
82.42625	0.1
98.14961	0.0
109.69765	0.0
115.97089	0.0
167.08409	0.1
174.73300	0.0
179.25827	0.1
209.11899	0.2
225.99135	0.1
227.12949	0.1
241.14767	0.1
264.37637	0.1
268.43307	0.0
269.26999	0.0
293.21066	0.1
338.94940	0.1
407.10999	0.1
429.51001	0.1
623.10541	0.1
657.34875	0.1
703.83990	0.1
742.43036	0.1
809.78949	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	832.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98828	100.0
62.98533	0.1
66.94787	0.1
67.66251	0.1
68.15936	0.1
69.29026	0.8
71.01395	0.2
75.00893	0.2
78.95904	0.7
85.02959	0.1
88.98823	0.1
89.02431	0.1
96.96964	0.1
98.20670	0.2
116.92899	0.2
125.02464	0.2
152.99588	0.2
155.51540	0.1
159.36705	0.1
161.02582	0.1
207.10239	0.2
209.11812	0.6
210.12196	0.1
211.13501	0.1
223.13399	0.2
225.11363	0.2
227.13034	0.1
241.01195	0.2
253.09357	0.1
255.23283	0.3
256.23691	0.1
277.21826	0.1
327.21780	0.1
357.98053	0.1
397.13290	0.1
526.92590	0.1
652.74268	0.1
832.37421	0.1
832.51385	0.5
833.37634	0.1
834.00043	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
63.02416	0.3
65.00332	0.5
65.30107	0.2
69.75903	0.6
69.76311	1.2
71.01382	16.8
72.01721	0.4
72.99330	0.5
73.02948	0.5
83.01391	0.5
85.02962	1.6
87.00881	0.8
89.02460	1.6
91.05573	0.2
91.39520	0.2
93.03479	1.9
95.01412	0.4
97.02955	0.3
98.20629	0.4
99.00869	0.5
101.02448	0.9
107.01376	1.0
108.02208	1.3
109.02971	0.9
111.00898	0.3
113.02483	1.6
115.00385	8.1
119.03489	0.2
119.05061	0.4
121.02968	100.0
122.03300	4.2
123.04569	0.7
124.01647	0.3
125.02467	2.0
133.02988	0.4
135.00900	0.5
135.04556	1.3
137.02470	1.9
145.02963	0.7
148.01712	1.0
151.00400	3.1
151.04063	0.3
152.01141	0.5
155.10779	0.8
161.02441	0.3
161.06140	0.4
163.00420	0.8
163.03993	0.4
164.01207	1.5
165.01865	0.7
169.01468	0.4
175.03996	0.6
177.01883	0.5
177.04050	0.3
177.05472	0.3
178.99907	1.7
185.06506	0.2
191.05650	1.4
195.05127	0.3
199.04002	0.5
199.09773	0.3
203.07195	0.4
211.04015	0.4
216.04185	0.5
226.02689	0.8
227.03464	1.4
228.04105	0.3
237.02148	0.3
237.04030	14.2
238.04364	1.2
243.02972	6.2
244.03459	0.8
249.06194	1.2
254.02086	1.4
255.02971	15.6
256.03415	1.1
267.07172	2.8
271.02457	36.9
272.02856	3.5
273.03894	0.3
285.03885	0.4
289.07303	1.4
299.02069	1.4
300.02744	78.2
301.03214	10.1
302.03711	0.3
302.97379	0.3
321.15500	0.7
385.11389	4.7
386.11523	0.5
415.12323	1.2
416.12827	0.6
417.13193	0.6
543.12744	0.7
595.13037	82.6
596.13373	16.7
670.21045	0.3
686.25745	1.0
833.21448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84307	0.3
59.01392	1.8
62.96375	0.3
65.08389	0.4
66.80529	0.4
66.89238	0.3
69.69219	1.3
69.69644	1.0
71.01388	0.5
78.95907	84.6
79.95744	0.3
80.96533	0.9
96.96969	17.5
134.98514	1.1
152.99603	22.7
153.99864	0.4
223.00131	8.0
241.01181	34.3
242.01486	1.1
255.23282	61.7
256.23615	5.8
259.02173	2.8
259.20630	0.6
275.20297	0.5
277.21710	37.2
278.22012	4.1
297.03812	2.4
315.04742	1.2
391.22516	7.0
392.22980	0.7
409.23511	0.6
413.20773	1.2
553.27698	5.3
554.28174	0.8
571.28870	0.9
575.26263	1.1
595.15338	0.7
710.22699	0.4
831.50433	100.0
832.50775	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	832.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
60.99317	0.1
61.68096	0.1
61.98827	100.0
62.98531	0.2
71.01382	0.1
71.60823	0.1
72.99318	0.3
75.00848	0.1
78.95903	0.4
83.05002	0.1
88.98812	0.5
90.28926	0.1
91.00424	0.1
96.96021	0.1
99.16946	0.1
101.02514	0.1
116.21994	0.1
116.92884	0.2
140.01186	0.1
152.99695	0.2
163.11333	0.1
165.01935	0.1
171.10243	0.2
197.11823	0.1
209.11879	0.3
211.13390	0.1
225.15195	0.1
255.23364	0.2
256.31076	0.1
257.25253	0.1
277.21762	0.1
285.53271	0.1
289.18210	0.1
291.19888	0.1
780.59143	0.1
785.69171	0.1
808.35101	0.1
828.76630	0.1
832.50598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.8
59.01376	15.1
60.01707	0.2
61.98827	27.7
68.99817	0.3
69.03442	2.1
71.01383	14.7
71.05014	0.7
72.01716	0.3
72.99313	1.5
73.02947	2.2
75.00885	0.4
78.95905	0.7
80.02685	1.4
81.03464	2.2
83.01387	1.7
83.05027	6.1
84.02175	0.9
84.05402	0.2
85.02953	3.6
85.06595	0.3
87.00878	3.3
88.98830	0.2
89.02448	12.9
89.29613	0.2
90.02808	0.3
91.04048	0.1
93.03435	0.7
95.01399	1.3
95.05038	0.8
97.02952	2.1
97.06607	0.3
98.20644	0.5
99.00879	1.1
99.04534	0.3
101.02448	11.7
102.02774	0.2
103.04052	0.2
106.04256	0.2
107.01383	0.3
107.05067	0.2
108.02206	0.2
109.02975	0.4
109.06621	0.8
111.00877	0.3
111.04515	0.3
111.08160	0.3
113.02457	6.4
113.06113	0.1
115.00353	0.1
115.04032	0.2
115.65276	0.1
119.03507	3.3
119.05014	0.5
121.02972	0.4
123.04546	0.3
123.08146	0.3
124.01680	0.2
125.02461	4.8
125.06078	0.5
125.09717	0.4
127.04049	0.1
129.01891	0.2
131.03499	0.6
133.05121	0.3
135.08170	0.8
137.02438	0.4
139.04016	0.5
141.01958	0.3
143.03517	2.0
145.02951	0.1
145.05074	0.2
147.11861	0.4
149.02477	0.2
149.04488	0.2
149.09738	0.3
151.00375	0.6
151.04042	0.3
152.99619	0.2
161.02512	0.2
161.04561	3.2
161.09694	0.2
163.04005	0.3
163.11290	4.9
164.11618	0.2
165.12856	3.0
166.13174	0.2
167.03549	0.2
167.10800	2.2
171.10248	0.5
175.02528	0.2
175.03995	0.2
175.64987	0.1
177.12883	0.5
179.03464	0.2
179.03745	0.2
179.05624	3.5
179.10793	0.8
179.14417	1.9
180.06058	0.1
180.14755	0.2
181.12302	0.8
185.04610	0.2
185.11848	0.1
191.10782	1.1
195.13904	5.9
196.14244	0.5
199.06110	0.3
199.13432	0.2
205.12334	5.1
206.12640	0.2
207.10217	0.1
209.11827	100.0
210.12158	6.8
217.07149	0.7
221.06628	1.5
223.13382	56.1
224.13725	4.4
225.11420	0.2
227.12868	14.2
228.13203	0.9
233.11638	0.2
235.08212	4.2
241.01131	0.3
245.06551	0.2
251.12859	0.4
253.09198	0.7
255.23203	0.4
259.08136	0.4
261.14963	0.7
263.07736	0.4
271.06146	1.4
277.21817	0.2
287.07742	1.2
289.07196	0.2
305.08752	1.6
306.09015	0.2
323.09821	1.0
341.11032	0.2
379.12424	4.7
380.12463	0.5
397.13507	33.4
398.13773	3.2
413.18060	0.2
415.14566	8.5
415.24603	0.5
416.14816	0.7
433.25772	0.3
459.22058	0.1
487.31699	0.2
589.24945	0.8
603.26697	2.3
604.26678	0.5
607.25952	2.4
608.26459	0.5
621.27679	3.0
622.27954	0.5
795.37531	0.7
813.39020	1.4
814.39795	0.4
831.36792	0.3
831.50928	0.4
832.50635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98524	0.2
71.35147	0.1
71.64845	0.1
71.65294	0.1
75.00868	0.1
78.95925	0.2
80.52040	0.1
80.86521	0.1
88.98843	0.2
121.85880	0.1
160.54816	0.1
171.10254	0.2
209.11894	0.2
277.21738	0.2
293.21320	0.2
318.13278	0.1
388.43738	0.1
831.49915	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	831.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.2
59.01378	19.0
60.01719	0.2
61.98826	6.8
68.05491	0.1
69.03436	3.3
71.01384	18.9
71.05024	0.8
72.01740	0.2
72.99316	1.3
73.02951	2.4
75.00882	0.4
78.95897	0.5
80.02691	1.1
81.03458	2.2
83.01395	2.3
83.05028	6.2
84.02162	0.9
85.02957	4.3
85.06595	0.4
86.00101	0.3
87.00383	0.3
87.00883	4.2
87.04523	0.2
88.98783	0.2
89.02448	15.5
90.02776	0.2
91.04002	0.2
93.03471	0.7
95.01411	1.5
95.05032	1.3
96.97000	0.3
97.02965	2.0
97.06597	0.3
98.48961	0.1
99.00884	1.3
99.04528	0.3
101.02452	13.4
102.02792	0.3
107.01459	0.2
108.02200	0.2
109.02955	0.3
109.06593	0.8
111.00909	0.3
111.04527	0.3
111.08169	0.3
113.02464	7.2
114.02788	0.2
115.03986	0.3
116.92882	0.2
117.03465	0.2
119.03510	3.9
119.04961	0.4
121.02964	0.3
121.06628	0.2
123.00857	0.3
123.04539	0.3
123.08177	0.2
124.01708	0.3
125.02457	5.5
125.06087	0.5
125.09716	0.6
126.02792	0.2
127.03986	0.2
129.02007	0.1
131.03528	1.0
133.05074	0.5
135.08182	0.5
135.11850	0.3
137.02423	0.5
139.03993	0.5
139.07608	0.2
141.01959	0.5
143.03517	2.5
145.05096	0.2
147.11824	0.2
149.04582	0.5
149.09738	0.6
151.00372	0.5
151.04016	0.4
161.02536	0.2
161.04561	3.2
161.13362	0.4
163.11299	4.7
163.12669	0.2
164.11707	0.2
165.12863	2.7
167.03502	0.3
167.10799	2.6
169.05165	0.3
171.10303	1.0
177.12865	0.5
179.05620	4.4
179.10750	1.0
179.14421	2.8
180.14812	0.4
181.12346	0.7
185.04471	0.2
187.11349	0.2
191.10736	0.9
195.13902	8.3
196.14262	0.6
199.06169	0.3
205.12329	7.1
206.12741	0.5
207.10280	0.3
209.11830	100.0
210.12164	7.5
211.13379	0.2
217.07161	0.5
221.06635	1.5
223.13387	74.1
224.13730	5.2
225.11316	0.6
225.14932	0.2
227.12880	15.3
228.13234	1.2
229.14507	0.2
235.08208	4.5
245.06573	0.2
251.12883	0.5
253.09264	1.1
255.23380	0.6
259.08112	0.4
261.14954	0.7
263.07639	0.5
265.14441	0.3
269.06631	0.2
271.06143	1.0
277.09082	0.2
287.07669	1.7
305.08649	1.5
323.09818	1.2
327.21790	0.3
338.04102	0.2
341.10699	0.2
368.20120	0.2
379.12442	5.8
380.12830	0.5
397.13507	38.5
398.13794	3.5
415.14545	9.5
415.24881	0.5
416.14890	0.9
427.19785	0.3
433.25748	0.4
514.26257	0.2
589.25073	0.8
590.26117	0.2
603.26569	4.0
604.26794	0.8
607.26251	1.5
608.26361	0.4
621.27728	8.2
622.27881	1.4
657.54614	0.2
771.42114	0.4
795.38373	1.2
796.38611	0.4
813.39490	1.5
814.39478	0.4
831.37262	0.4
831.51129	0.5
832.52374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
60.99292	1.2
67.01888	5.1
69.03444	1.1
69.24495	2.9
71.01390	5.2
72.99306	0.4
73.02958	1.3
75.00883	0.6
81.03455	1.3
83.01411	0.4
83.05032	1.2
85.02951	5.9
87.00880	4.6
89.02460	1.3
93.03464	38.9
93.67681	0.3
94.03791	0.9
99.00898	0.9
99.04518	0.6
101.02462	1.6
101.06095	2.9
109.02954	1.5
111.00878	0.8
111.04529	6.7
113.02460	1.7
117.03481	4.3
119.03612	0.6
119.05037	23.1
120.05370	1.1
121.02951	0.4
123.04560	0.3
125.02475	0.4
127.04041	1.3
129.01938	0.7
133.02959	0.4
133.06564	0.3
137.02460	3.8
137.76288	0.3
145.02966	20.9
146.03311	1.2
155.03508	4.1
159.04507	0.2
160.49820	0.3
161.06061	1.8
163.04021	28.3
164.04311	1.4
165.01939	0.9
171.03067	0.4
173.04556	100.0
174.04874	3.9
177.05563	1.1
180.04315	0.5
181.07146	1.7
185.65382	0.3
191.05618	69.2
192.05951	2.3
195.06654	1.5
205.05055	3.3
235.06111	0.7
249.06137	0.6
265.07083	2.2
301.67554	0.3
307.08435	0.4
327.08630	0.5
337.09265	59.3
338.09613	5.3
351.13007	4.4
352.13113	0.4
434.02292	0.3
489.16095	50.2
490.09460	0.5
490.16470	6.6
490.23279	0.3
496.89929	0.3
502.59042	0.3
763.32837	0.3
827.26166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
60.99305	0.2
61.98827	100.0
70.17266	0.4
70.17687	0.3
71.01394	0.3
75.00893	0.2
78.95913	0.3
82.52924	0.1
88.98814	1.2
89.02467	0.2
101.02448	0.2
104.03582	0.3
111.08150	0.1
125.02457	0.2
171.10228	0.7
194.40303	0.2
209.11824	1.8
211.08894	0.1
223.13429	0.2
225.11339	0.1
227.12941	0.2
235.08264	0.2
253.09331	0.3
277.21793	0.3
291.19708	1.3
293.22070	0.1
297.98810	0.1
320.41727	0.1
344.79138	0.1
347.62698	0.1
389.28384	0.1
397.13623	0.1
527.29016	0.3
527.99133	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	827.264
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	0.3
59.01132	0.3
59.01377	3.6
60.99305	1.4
63.09769	0.3
65.03971	0.3
67.01897	5.6
69.03458	1.4
71.01388	5.8
71.58913	0.3
73.02947	1.0
81.03468	1.3
83.01408	0.3
83.05031	1.2
85.02956	5.7
87.00882	3.6
88.08831	0.3
89.02469	1.8
93.03467	36.0
94.03801	1.0
95.01414	0.3
99.00893	0.6
99.04536	0.3
101.02438	1.8
109.02988	1.4
111.00857	0.6
111.04535	5.7
113.02472	1.2
113.38342	0.3
117.03477	4.3
119.03613	0.7
119.05040	23.5
120.05364	1.0
121.02955	1.0
125.02462	0.6
127.04005	1.3
129.01978	0.6
133.06616	0.5
134.03801	0.3
135.04486	0.3
137.02464	3.9
145.02972	24.4
146.03300	1.1
151.06242	0.3
155.03491	3.4
161.02403	0.6
161.06053	1.8
163.04027	26.3
164.04376	1.3
165.01967	0.4
173.04561	100.0
174.04900	4.4
175.04051	0.4
177.05544	1.1
181.07231	1.4
191.05621	75.3
192.05962	3.4
205.05070	2.5
211.07709	1.0
235.06096	0.9
246.18071	0.3
265.07025	1.5
279.46024	0.3
310.19962	0.3
325.11484	0.4
327.08716	0.6
337.09280	56.8
338.09625	6.2
343.12411	1.3
367.10461	0.4
406.80020	0.3
459.15039	0.7
489.16116	47.5
490.16489	6.6
586.37708	0.3
653.20032	0.5
827.26172	1.5
828.25397	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.5
61.98830	100.0
63.99247	4.4
66.24117	1.9
71.01374	7.4
72.99297	2.8
78.95899	7.3
83.05021	3.0
85.02927	1.8
101.02424	2.6
107.56522	2.0
116.92915	3.2
125.02466	3.6
125.09744	2.7
133.90007	1.9
152.99419	2.2
171.10240	8.6
197.11839	10.1
199.09900	2.5
201.11412	2.1
207.10284	3.1
209.11848	36.8
216.61797	1.9
217.94513	2.2
223.09741	2.6
225.11351	7.1
227.12833	8.2
235.08316	2.8
253.09248	6.1
291.19849	5.3
307.19095	4.5
309.20694	24.4
310.20966	3.3
445.20508	3.2
513.28418	8.9
545.29388	2.6
740.50800	2.3
823.42358	23.8
824.43231	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	821.508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
58.00577	0.6
59.01379	7.8
61.98830	5.5
69.03443	0.6
71.01383	6.1
71.64229	0.4
71.64709	0.6
72.99277	0.5
73.02937	1.1
78.95901	1.1
83.01402	1.2
83.05021	0.8
85.02947	1.7
87.00874	1.3
89.02446	4.2
90.09176	0.4
91.42164	0.4
95.05045	1.2
96.96030	0.7
97.06600	0.5
101.02444	6.3
109.06635	0.7
111.08168	10.6
112.08467	0.6
113.02445	2.3
113.09767	0.8
115.92085	0.5
116.92834	0.8
117.56323	0.4
119.03499	1.3
121.10194	0.4
123.08165	0.7
133.05080	0.4
135.11797	0.5
137.09738	0.6
145.05075	0.7
149.09708	0.5
152.99646	0.5
161.04601	2.5
167.10788	3.1
171.10321	1.1
177.12880	2.4
179.05634	0.6
179.10760	2.4
179.14459	0.9
185.11775	0.5
195.13908	14.4
196.14365	0.9
197.11813	0.8
205.12305	0.7
205.16043	0.8
209.11784	1.0
211.13467	0.9
223.13387	6.9
225.15047	0.7
228.13615	0.7
229.19466	0.5
235.08295	2.3
247.20659	2.2
253.09265	18.0
254.09555	1.1
256.13104	1.9
273.18561	1.4
275.20148	8.6
276.20441	0.9
277.21722	1.8
281.24780	1.9
289.17914	0.7
291.19644	100.0
292.19977	10.0
293.21213	95.7
294.21606	9.9
295.22449	0.5
309.20648	0.7
401.54797	0.5
438.47751	0.5
492.22000	0.6
527.28448	1.4
821.44397	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
58.00598	0.8
59.01374	5.8
61.98830	86.9
62.98539	0.7
63.99265	0.8
65.41918	0.2
69.03449	0.5
71.01386	4.6
71.62258	0.4
72.99316	0.3
73.02966	1.1
76.31408	0.3
78.56337	0.3
78.95911	1.8
79.95772	0.3
80.91702	0.6
81.03448	0.3
83.01407	0.7
83.05028	0.4
85.02952	1.4
87.00904	0.9
89.02450	3.9
95.05051	0.4
96.96025	0.6
96.97025	0.4
101.02448	4.7
109.06612	0.6
110.78632	0.3
111.00879	0.5
111.08173	7.1
112.08495	0.3
113.02482	2.9
119.03535	0.9
125.29617	0.3
127.07681	0.7
141.09236	0.6
143.03479	0.5
145.05118	0.6
151.11340	0.7
153.09282	0.3
153.12917	0.8
160.95375	0.4
161.04576	2.8
167.10779	0.5
169.12350	2.6
171.10248	0.4
179.05621	1.1
179.10793	0.8
179.14481	0.7
181.12405	1.0
183.13887	0.8
193.12354	0.4
195.13911	9.4
196.14375	0.7
196.49188	0.3
197.11839	32.0
198.12146	2.7
199.13431	2.1
205.12355	0.7
209.11827	0.8
210.12080	0.4
211.13394	5.4
212.13844	0.5
214.82635	0.3
223.13400	6.0
224.13707	0.5
227.12920	1.1
228.13666	0.7
231.21307	0.4
235.08269	2.3
247.20793	0.5
253.09279	31.2
254.09628	2.0
256.13168	1.2
263.20193	2.6
264.20410	0.4
265.18164	0.5
265.21667	0.5
273.18646	0.7
275.14352	0.3
275.20129	5.1
276.20465	0.9
277.21689	0.4
279.23224	2.2
280.23669	1.0
289.17996	0.6
291.19635	13.1
292.19904	2.1
293.21216	100.0
294.21545	11.0
307.19168	0.5
309.20709	54.0
310.21048	5.8
447.21719	0.3
527.28552	0.9
529.29968	1.5
530.29877	0.3
545.29657	1.4
574.24664	0.3
585.41815	2.5
586.42181	0.5
729.45667	0.6
747.46655	0.5
803.40710	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.4
58.00580	4.0
59.01374	63.4
59.62047	1.3
61.98832	30.7
62.68945	1.3
64.58496	1.6
65.00313	2.2
69.03458	3.9
70.07683	1.5
71.01382	39.7
71.59293	1.8
71.59665	1.6
72.99302	5.4
73.02950	2.9
74.06908	1.3
75.00867	2.9
75.46112	1.3
78.95874	1.5
81.03466	1.7
83.01391	8.7
84.41049	1.2
85.02946	12.3
87.00856	4.9
87.60951	1.3
88.98801	4.2
89.02445	26.4
93.03466	23.4
95.01379	7.4
96.96003	1.4
97.02946	3.6
99.00882	2.8
101.02455	19.4
102.49394	1.5
106.06622	6.5
107.01385	4.8
107.03733	1.6
108.02169	4.8
109.02992	7.9
111.00887	1.7
113.02455	15.7
116.92855	5.2
117.03439	2.1
119.03571	9.2
119.05032	23.7
120.08189	5.7
120.52461	1.4
121.02963	3.4
122.06123	18.2
123.00877	10.5
123.04548	3.7
124.01691	20.9
125.02458	58.0
126.02821	1.8
134.06137	45.9
135.04524	4.6
135.06491	1.6
136.01646	2.2
136.07686	2.7
137.02458	14.7
139.04012	3.9
145.02937	6.3
148.04016	1.8
149.02466	3.2
149.99594	28.1
150.05673	6.9
151.00378	19.3
151.03995	4.2
152.01135	5.9
152.07178	10.1
153.01910	6.3
155.10780	2.7
161.02394	3.7
161.04619	2.7
162.03152	1.5
163.04012	7.4
164.01157	4.7
165.01886	5.2
167.03522	2.9
168.00656	48.4
169.01422	10.1
173.05977	2.5
175.03874	2.0
177.01936	2.6
177.05602	2.3
178.99843	3.9
181.12306	1.9
189.01985	1.7
193.01465	1.4
196.00098	1.9
199.07782	1.6
199.09702	2.9
201.05583	2.4
205.05051	2.0
209.11809	2.7
215.07071	4.1
235.08810	2.1
237.10274	5.5
239.11859	3.5
243.06583	3.3
245.04561	1.5
247.08669	1.8
249.06622	3.7
249.10326	14.0
250.07214	2.0
250.11026	2.9
251.08145	3.3
251.11827	6.9
255.02977	3.2
259.06082	35.8
260.06232	1.8
261.10370	3.7
262.07425	8.6
262.10883	1.4
263.08194	21.3
263.11978	2.4
264.08929	6.1
265.09692	4.9
269.04428	2.9
271.06073	8.3
272.06116	2.3
275.08221	5.6
276.09006	4.8
277.09799	33.3
278.10535	40.3
279.07956	3.1
279.11304	27.8
280.08542	3.4
280.11624	2.8
280.32983	1.4
283.02475	8.5
283.05972	3.6
285.03793	2.9
287.05554	34.6
288.05948	3.4
289.07047	2.7
289.09824	3.6
290.10580	7.2
291.11313	13.3
292.12097	5.7
293.09186	1.9
294.10068	2.6
295.10800	4.9
301.06824	2.1
305.09433	2.1
307.10883	3.5
314.12253	3.4
321.08890	3.4
322.09482	5.1
323.10217	1.9
324.11047	3.3
335.10291	1.9
352.10599	3.8
353.11203	2.1
354.12238	2.5
354.16238	2.3
355.12827	2.2
356.17590	1.7
366.12259	2.0
367.13052	2.3
368.13968	4.7
369.14642	3.8
380.13852	2.5
381.14685	2.1
382.15805	6.8
384.17188	3.9
394.11407	2.1
395.12714	2.3
396.13248	5.2
396.17462	3.3
397.13495	3.2
397.17899	4.5
398.14368	2.3
398.18887	3.1
399.19324	2.0
400.16486	8.6
407.16592	1.5
409.14569	1.7
410.15170	15.6
411.15384	2.3
412.16647	2.6
424.16595	10.5
425.17346	21.2
426.18484	7.1
427.18759	5.4
441.16797	2.1
442.17612	3.6
443.18192	1.6
444.19400	3.7
469.16159	10.1
470.16727	4.1
471.17972	1.7
474.16757	3.4
486.17035	3.8
488.17731	2.3
489.19101	2.5
506.19150	4.9
576.20514	1.9
591.22546	6.7
604.23065	5.5
605.23499	10.3
606.23871	2.9
623.25342	3.4
633.22815	3.4
636.25916	2.5
637.26862	2.0
641.19702	2.1
648.21521	1.9
649.22693	17.9
650.23010	4.1
659.26935	6.2
667.24249	2.4
675.16174	2.2
680.24579	6.0
681.25250	5.0
698.25745	7.7
699.25775	1.6
727.29877	10.8
728.30115	2.9
759.32874	3.5
771.29065	100.0
772.29358	29.6
789.30127	94.8
790.30554	25.8
803.31561	50.4
804.32019	11.5
821.25647	37.3
821.32355	34.4
822.25055	9.8
822.33392	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	820.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
61.98828	100.0
62.98526	0.2
64.43613	0.1
70.19172	0.4
71.01391	0.3
78.95919	0.3
80.96532	0.1
89.02441	0.1
96.96941	0.1
97.02988	0.1
101.10054	0.1
105.94300	0.1
113.02464	0.1
115.52431	0.1
125.02473	0.1
159.19312	0.1
171.10272	0.1
177.01921	0.2
178.99913	0.4
188.50943	0.1
197.11794	0.1
202.58937	0.1
211.13432	0.3
253.09303	0.2
255.23390	0.1
277.21738	0.1
291.19687	0.2
293.21210	0.6
309.20752	0.2
334.12488	0.1
356.20093	0.1
481.15204	0.2
540.16418	0.1
555.18799	0.2
572.15887	0.1
659.24176	0.2
713.24866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01374	3.3
60.24452	0.2
61.46499	0.2
69.03447	0.4
71.01379	4.5
71.34639	0.2
71.63932	0.4
72.99307	0.6
73.02946	1.0
75.00878	1.3
78.65859	0.3
81.03468	0.6
83.01402	0.6
85.02962	3.8
87.00896	1.0
89.02446	0.9
93.03461	8.9
95.01399	1.9
96.12179	0.3
96.99298	0.5
97.02970	0.5
99.00910	0.6
101.02455	2.9
107.05043	0.3
108.02183	28.9
109.02979	18.1
110.03294	0.7
111.00875	0.3
113.02454	2.8
113.09821	0.3
119.05029	0.4
121.02972	1.3
123.00900	0.7
123.04519	0.7
125.02458	1.1
135.00880	0.3
135.04532	0.6
136.01680	1.1
137.02457	17.2
138.02829	0.9
145.03017	0.6
147.04564	0.3
149.02458	0.4
150.03262	0.3
151.00349	0.3
151.04025	0.6
152.01166	47.0
153.01958	21.5
153.02919	0.2
153.03294	0.3
154.02324	0.9
159.04543	0.3
161.02451	0.5
161.04495	0.5
163.04012	1.1
165.01938	0.8
166.49995	0.2
167.03506	0.3
173.04610	0.3
175.02454	0.3
175.04037	0.4
177.01930	0.3
177.04004	0.4
179.03468	0.7
179.05585	0.3
181.05148	0.3
185.11844	2.4
190.92371	0.2
191.03528	0.6
191.05594	1.0
193.05324	0.2
225.03899	0.3
249.06190	0.5
249.49571	0.2
257.17603	0.3
271.05920	0.3
278.46448	0.3
281.06659	6.3
282.06946	0.6
284.09198	0.2
287.44742	0.3
289.07181	0.4
315.07208	7.7
316.07541	0.7
391.10226	1.0
392.10287	0.3
419.06509	0.8
419.22754	0.6
435.09302	100.0
435.18890	5.6
436.09644	12.3
436.18857	0.5
457.43707	0.3
659.22546	0.6
821.24237	0.4
821.36823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.0
58.00589	1.1
59.01380	16.8
59.03444	0.3
61.98833	7.5
62.08848	0.3
67.01885	0.4
69.03444	1.6
70.21563	1.3
71.01385	17.3
72.99309	2.2
73.02949	2.2
75.00871	1.0
78.95907	0.5
80.02688	1.0
81.03474	2.1
82.28234	0.3
83.01388	2.2
83.05029	5.8
84.02184	1.2
85.02956	4.7
87.00890	3.9
88.98783	0.8
89.02453	13.8
93.03475	1.2
94.46127	0.3
95.01402	1.2
95.05034	0.9
96.96030	0.3
97.02964	2.5
97.06583	0.4
98.19911	0.3
99.00871	1.2
99.04549	0.3
101.02454	11.8
102.02715	0.3
107.01389	0.3
107.04974	0.3
109.02969	0.8
109.06616	0.5
111.04527	0.6
113.02464	7.7
116.92862	1.3
119.03518	3.5
119.05036	0.9
121.02949	0.9
123.04530	1.1
124.36617	0.3
125.02454	6.9
125.06094	0.7
127.04037	0.3
131.03484	0.6
135.04555	0.6
135.08203	0.5
137.02443	1.4
139.03998	0.5
141.01952	0.4
143.03497	2.0
149.04584	0.6
151.00418	0.8
151.04099	0.7
153.02013	0.4
155.10873	0.6
161.02519	0.6
161.04607	3.3
161.05898	0.5
163.11310	4.0
164.01198	0.4
164.11635	0.5
165.01920	0.7
165.12878	2.7
167.03479	0.9
167.14426	0.5
171.10294	1.0
175.04022	0.3
177.02031	0.4
179.05641	3.9
181.12326	0.9
183.13939	6.6
184.14214	0.7
191.10815	1.0
193.12334	2.2
199.06100	0.6
199.13368	0.5
209.11839	100.0
210.12184	7.2
211.13399	87.9
212.13718	6.2
217.07095	0.6
221.06668	1.5
225.11308	0.4
227.12881	17.3
228.13255	1.3
235.08211	5.3
251.12779	0.5
253.09203	0.8
253.14470	0.5
259.08121	0.5
271.06091	3.1
285.03857	0.3
287.07739	1.3
289.07169	0.7
305.08798	1.6
323.09848	1.4
361.11591	0.4
379.12442	7.3
380.12714	0.5
397.13510	38.0
398.13745	3.8
415.14554	9.2
415.19272	0.4
416.14719	0.8
589.25250	1.1
591.26294	1.7
592.27100	0.6
607.26001	2.1
609.27710	4.7
610.27972	0.7
682.73804	0.3
757.39447	0.4
783.38031	1.1
784.40710	0.4
801.39008	1.0
819.39838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.5
57.42743	1.3
58.00591	2.2
59.01378	71.0
61.98827	76.8
63.02399	1.6
65.00312	3.2
71.01383	51.9
71.19202	2.7
71.19538	2.8
72.99310	5.2
73.02947	3.4
75.00880	3.7
81.03481	1.6
83.01394	5.8
83.05035	1.7
85.02954	11.4
87.00887	3.9
88.98814	2.6
89.02451	31.2
91.06564	1.3
93.03450	5.4
95.01406	4.0
96.96021	3.6
97.02957	2.8
99.00884	2.7
101.02451	27.3
106.06640	10.4
107.01382	6.1
108.04552	2.3
109.02941	5.8
113.02462	14.7
115.00424	2.0
116.92896	7.4
119.03514	8.2
119.05054	6.3
121.02963	2.7
122.06140	9.6
123.04517	4.0
124.01649	2.0
125.02458	20.6
132.04532	2.5
134.06134	65.7
135.04541	16.4
135.06493	2.6
137.02446	12.6
145.02977	3.5
149.02409	2.0
149.04707	2.6
149.99651	2.3
150.03212	1.5
151.00363	21.9
151.04027	4.4
152.00883	2.0
152.07167	9.2
155.10760	3.1
159.04520	1.5
160.04019	1.5
161.02405	5.3
161.04568	3.3
162.03270	1.8
163.04088	2.2
164.01224	1.8
165.01920	6.1
165.05600	2.5
168.00665	4.0
169.01410	1.5
175.02441	2.2
175.03909	3.2
175.07613	1.6
177.01956	4.5
177.05399	1.5
179.05615	2.5
181.12440	1.6
183.13870	1.9
187.04095	2.1
191.05573	1.8
192.06638	2.3
203.07129	3.0
207.10193	1.6
209.11844	29.1
210.12219	3.1
211.13408	20.3
212.13739	2.4
213.10301	8.4
217.01439	1.5
227.12831	4.3
229.05098	1.9
235.08492	1.8
239.11934	6.1
241.13416	4.8
249.10300	1.7
251.08102	2.2
263.08359	1.6
267.08655	1.7
267.11435	2.2
271.06046	10.9
272.06250	1.9
275.08173	1.7
277.09766	4.5
283.05933	1.8
285.03992	8.2
285.12405	12.9
287.05560	18.4
288.05884	3.0
289.07114	12.3
291.11264	2.3
293.12936	1.7
301.03619	2.0
305.09094	2.2
311.05899	1.5
328.10876	2.3
330.16034	2.2
342.12299	1.8
343.13620	1.6
344.14188	1.7
354.12451	5.2
355.13181	3.2
356.14145	3.9
357.14670	2.9
367.09518	2.3
368.10153	2.6
368.14169	5.0
369.14301	2.6
370.15680	10.8
371.15869	2.1
382.11624	7.6
382.15768	3.9
383.12585	7.6
384.13379	2.3
385.13477	2.0
394.12018	3.5
395.12766	2.8
396.13583	3.3
397.13818	13.4
398.15094	56.8
399.15372	7.9
400.16580	1.7
410.15106	20.5
411.15491	4.9
412.16556	1.8
425.22055	1.5
428.15921	2.5
460.48007	1.9
472.15082	6.0
473.15723	2.5
487.17981	2.2
488.18411	2.9
489.23697	2.0
501.18820	1.9
503.20627	4.3
504.20895	2.5
515.16608	2.1
517.22894	3.5
518.22668	1.7
530.81842	1.7
545.21497	5.5
571.11841	2.6
571.19965	2.0
589.20703	9.6
590.20911	2.4
609.27374	1.8
619.47278	1.7
621.23926	2.5
697.28345	2.2
698.29199	1.8
725.28430	54.3
726.28619	14.9
741.28516	1.7
745.27167	3.5
757.31451	11.8
758.30878	3.1
769.27496	85.5
770.27808	30.1
787.28479	100.0
788.28687	30.5
801.29840	38.6
802.30035	10.2
819.31573	27.0
819.45270	2.3
820.31940	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	818.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98526	0.2
63.55040	0.1
70.57685	0.1
71.01391	0.1
78.91897	0.1
78.95925	0.2
80.96525	0.1
95.79568	0.1
98.19976	0.1
125.06138	0.0
146.20091	0.0
203.40135	0.1
209.11864	0.3
210.12189	0.1
211.12326	0.1
253.09239	0.1
277.21735	0.1
278.22195	0.2
280.23071	0.1
289.18149	0.2
291.19638	0.1
293.21408	0.1
307.19037	0.1
656.40723	0.1
663.50958	0.1
800.43103	0.1
819.42853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.497
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.88177	0.4
66.03490	0.4
71.02518	0.4
71.62872	0.6
71.93179	0.4
78.95917	1.7
80.05085	0.4
80.96539	0.7
82.06636	0.6
83.84116	0.4
87.05647	2.4
87.65768	0.3
88.10760	0.4
96.96989	0.4
98.02472	0.4
105.45753	0.4
112.07741	0.7
113.03614	0.4
116.05080	0.4
121.04090	0.5
124.72385	0.4
127.08801	0.5
129.10364	7.5
130.08783	1.4
131.05014	0.4
131.19383	0.4
139.08784	1.9
140.07210	1.4
141.10320	0.4
146.06139	0.7
152.99631	1.0
153.10332	0.5
155.08243	1.9
155.11880	0.4
164.09602	1.4
165.10341	2.9
167.08232	0.6
171.10286	0.5
182.13013	1.3
183.11433	1.3
195.15152	0.5
197.11832	0.4
197.16672	1.0
200.14001	2.6
204.49637	0.4
207.14984	6.8
208.13661	0.4
208.15413	0.4
211.13493	0.5
223.11987	0.6
224.15782	0.6
224.17653	3.0
225.16019	1.8
225.18051	0.4
226.11986	0.4
231.61226	0.4
241.13567	1.5
242.11899	1.4
242.18723	6.1
243.19023	0.4
259.14508	1.9
268.16821	0.5
268.20294	0.5
274.27448	0.4
276.17160	0.7
290.59039	0.4
291.19513	0.5
294.25638	0.4
295.21378	3.7
312.17389	1.4
313.22372	2.7
329.20004	0.9
330.18320	1.4
337.25998	3.6
347.20981	0.6
355.27115	2.8
371.24371	0.6
389.25717	0.8
443.26752	0.6
468.36105	0.4
494.37036	0.4
539.39337	1.3
556.35181	0.9
573.38086	1.2
633.52521	0.5
782.52106	47.0
783.52277	15.6
783.66901	0.7
818.49969	7.6
819.51825	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	819.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
57.87661	0.3
58.84524	0.3
59.01374	3.0
59.97550	0.2
60.99287	0.4
65.93864	0.2
67.01889	4.6
69.03460	1.0
71.01380	3.6
71.16593	0.5
73.02949	0.5
75.64918	0.3
81.03465	0.7
83.01413	0.5
83.05029	0.7
85.02951	6.6
86.30309	0.2
87.00888	1.5
89.02469	0.7
89.15154	0.3
91.05546	0.3
92.54877	0.3
93.03463	23.9
93.53693	0.3
94.03820	0.8
95.01402	0.3
97.02924	0.4
99.04526	0.4
101.02455	0.7
103.48415	0.3
107.05032	1.0
108.02186	0.4
109.02966	1.6
111.00899	1.1
111.04524	4.4
113.02473	1.0
115.03999	0.3
117.03436	0.3
119.05049	0.9
121.02953	0.6
123.04557	0.4
125.02451	4.1
127.04028	1.4
133.02936	2.0
134.03773	2.6
135.04535	63.1
136.04860	3.1
137.02461	5.8
149.02483	1.1
151.00343	1.3
151.04021	0.6
153.01930	1.1
155.03520	5.5
161.02452	5.6
162.02818	0.4
163.04007	0.8
165.04140	0.3
166.02678	0.3
171.03017	0.4
173.04558	100.0
174.04903	4.2
177.01979	0.9
179.00040	1.2
179.03506	62.5
180.03839	4.1
181.01421	0.5
191.05614	50.1
192.05936	2.3
193.01477	0.4
193.05023	0.3
195.04979	0.3
226.52580	0.3
259.06012	0.5
275.05530	1.0
285.04047	2.4
303.05099	10.3
304.05411	0.8
323.13489	0.5
328.05252	0.3
341.05334	0.5
353.08765	93.9
354.04733	0.6
354.09113	10.3
369.08301	0.5
425.83868	0.3
465.10245	2.3
466.10495	0.4
505.15756	1.4
609.55530	0.3
819.29150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.1
59.01379	0.5
61.98830	100.0
62.98526	0.2
63.85917	0.1
69.35832	0.6
69.36258	0.3
71.01389	0.6
73.02966	0.1
73.97401	0.1
75.00859	0.1
78.95920	0.2
78.98599	0.1
79.61207	0.1
79.95737	0.2
80.96513	0.8
81.03474	0.1
85.02962	0.2
87.00913	0.1
88.98808	0.1
89.02487	0.1
94.98113	0.2
97.02997	0.1
100.74010	0.1
101.02483	0.2
109.02973	0.1
109.06631	0.1
113.02502	0.1
116.92854	0.1
123.04522	0.1
125.02475	0.4
125.09811	0.1
133.01498	0.1
137.02495	0.1
151.04027	0.2
160.54059	0.1
164.98669	0.1
165.01958	0.1
171.10297	0.3
179.05693	0.1
191.59206	0.1
197.11955	0.1
200.59822	0.1
201.11388	0.1
207.10329	0.3
209.11917	0.5
211.13347	0.6
212.13795	0.2
225.00836	0.2
225.11406	0.2
226.11845	0.1
227.12886	0.2
235.08185	0.1
253.09370	0.1
289.07156	0.1
291.19531	0.1
381.40015	0.1
397.13477	0.2
398.13968	0.1
571.30713	0.1
597.79816	0.1
758.43445	0.1
800.38202	0.2
818.38092	0.2
819.38055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
61.98827	100.0
62.98534	0.2
69.28273	0.9
71.01385	0.2
75.87576	0.1
78.95917	0.2
89.02457	0.1
89.34347	0.1
92.96396	0.1
98.20723	0.2
125.02458	0.1
147.77866	0.1
147.83124	0.1
160.20042	0.1
171.10361	0.2
171.78633	0.1
209.11862	0.2
211.13441	0.2
279.67670	0.1
292.17221	0.1
327.21976	0.1
487.34555	0.2
800.39111	0.1
818.50159	0.2
819.39105	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
61.98828	100.0
62.98535	0.2
62.99255	0.1
63.99248	0.2
64.96312	0.0
69.02550	0.0
71.01402	0.1
78.91903	0.1
78.95914	0.2
80.91695	0.1
80.96509	0.1
129.83438	0.0
152.99661	0.1
161.76762	0.0
162.63545	0.0
171.10341	0.1
207.10173	0.0
207.19279	0.0
209.11850	0.1
222.06238	0.1
223.13387	0.1
225.11333	0.1
227.46851	0.1
293.21216	0.1
492.24536	0.1
700.29401	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	818.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98535	0.2
62.99252	0.1
66.78157	0.0
78.91893	0.1
78.95915	0.1
80.91689	0.1
98.20597	0.1
207.10400	0.1
211.13364	0.1
231.09193	0.1
293.21350	0.1
327.21930	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	818.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98528	0.2
65.05378	0.1
67.50463	0.1
70.02551	0.3
72.99322	0.4
75.45187	0.1
78.95943	0.1
86.20042	0.1
94.41956	0.1
120.29877	0.1
142.80022	0.1
144.61707	0.1
209.11887	0.2
299.27560	0.1
309.20627	0.1
513.28552	4.0
514.28802	0.7
818.48999	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	818.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98535	0.2
62.99254	0.1
67.05405	0.1
67.36753	0.1
69.41058	0.4
78.95924	0.2
80.94109	0.1
94.67270	0.1
98.17275	0.1
171.10287	0.1
209.11884	0.3
210.12274	0.1
211.13406	0.1
253.09474	0.1
293.21530	0.1
313.42435	0.1
394.60239	0.1
462.63641	0.1
610.04333	0.1
818.48407	0.2
819.39453	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	816.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
59.01363	0.7
61.98827	100.0
62.68719	0.1
62.98531	0.2
71.01398	0.7
75.00873	0.1
78.91889	0.1
78.95910	0.3
83.01407	0.1
85.02960	0.2
87.00890	0.1
88.98808	0.2
89.02466	0.4
93.03488	0.1
100.76485	0.1
101.02474	0.5
107.01431	0.1
108.16874	0.1
109.02991	0.2
109.06592	0.2
111.00913	0.1
113.02499	0.2
116.92886	0.4
119.05059	0.2
123.04537	0.2
125.02460	0.8
129.19382	0.1
135.04555	0.2
137.02478	0.5
145.03020	0.1
150.03252	0.1
151.00354	0.4
151.04037	0.3
161.02429	0.2
165.02046	0.2
171.10280	0.3
177.01965	0.1
203.03665	0.1
207.10283	0.5
209.11826	0.6
211.13393	0.5
225.11456	0.5
227.12917	0.1
253.71571	0.1
271.02222	0.1
271.03580	0.1
271.06067	0.7
272.06552	0.1
287.05780	0.1
289.07272	0.3
291.14063	0.1
299.13913	0.3
344.99841	0.1
373.24554	0.1
397.13663	0.3
401.23471	0.1
419.24527	0.1
434.22519	0.1
436.54373	0.1
458.60629	0.1
612.60052	0.1
785.30560	0.4
799.37939	0.3
817.38177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98524	0.3
62.99233	0.1
63.99263	0.2
67.32605	0.1
71.01380	0.1
71.62809	0.1
78.95902	0.6
79.58635	0.1
80.60946	0.1
96.96939	0.1
97.06604	0.1
116.92893	0.3
118.96590	0.1
139.68564	0.1
148.73816	0.1
152.99644	0.2
171.10332	0.2
183.13940	0.3
195.13889	0.1
197.11833	0.3
209.11929	0.2
211.13461	0.4
212.13817	0.1
219.62823	0.1
223.13341	0.1
241.01184	0.1
256.22839	0.1
291.19815	0.2
293.21249	0.2
295.23022	0.2
307.19254	0.2
308.19617	0.1
309.20816	0.1
341.23492	0.1
343.24432	0.1
471.34781	0.1
734.55756	0.1
753.40979	0.4
754.42413	0.1
816.50897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
60.99314	0.1
61.98826	100.0
62.98534	0.2
62.99260	0.1
63.99262	0.1
70.47138	0.1
70.47525	0.1
71.01391	0.1
75.00849	0.1
78.95910	0.2
79.95740	0.1
80.96526	0.2
85.02988	0.1
88.98831	0.1
101.02458	0.1
106.83141	0.1
116.92854	0.1
125.02510	0.1
145.03001	0.3
151.04121	0.1
156.16846	0.0
163.11380	0.0
171.10303	0.1
195.13872	0.1
197.11816	0.3
209.10136	0.0
209.11859	0.3
210.12234	0.1
211.13390	0.1
227.12952	0.1
253.09323	0.1
254.28452	0.1
291.19666	0.1
293.21240	0.1
309.20773	0.2
430.82065	0.1
432.32642	0.1
508.62991	0.1
621.12561	0.1
631.37073	0.1
632.37427	0.1
719.21124	0.1
742.43945	0.1
816.48291	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	816.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98536	0.2
63.44273	0.1
69.35433	0.1
69.35845	0.4
71.01398	0.1
73.99534	0.1
78.95932	0.2
88.13137	0.1
102.95251	0.1
106.65944	0.0
114.34425	0.1
116.92880	0.1
195.14058	0.1
197.11819	0.1
209.11984	0.1
210.12344	0.1
221.59982	0.1
223.13414	0.1
227.12883	0.1
291.19766	0.2
298.66577	0.1
307.18951	0.1
309.20734	0.1
358.37457	0.0
377.35715	0.1
816.47772	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	815.5009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14054	2.6
61.98820	7.5
68.40134	2.8
71.01367	8.2
71.58378	3.3
75.67623	2.6
78.98579	7.1
79.14656	2.4
79.95730	16.7
80.96520	100.0
82.20708	2.5
85.02937	3.0
87.00892	3.7
94.98097	23.0
100.26425	2.4
100.98242	2.5
102.80798	2.6
106.98106	3.3
122.97617	6.4
125.02422	3.3
131.68198	2.5
134.97589	8.0
136.43945	2.6
148.99150	12.7
152.98643	7.0
164.98660	9.0
181.14738	2.9
206.99730	3.3
221.94870	3.1
225.00760	20.1
255.23265	3.3
363.07913	2.9
418.31635	3.2
679.47388	2.9
815.50024	91.3
816.50543	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
59.01378	0.6
60.85760	0.1
61.98829	100.0
62.98535	0.2
65.00320	0.1
69.03470	0.1
71.01383	0.7
71.05026	0.3
72.99311	0.1
78.95905	0.2
79.41975	0.1
81.03465	0.1
83.01403	0.2
83.05029	0.2
85.02975	0.2
87.00885	0.2
88.98830	0.2
89.02464	0.4
93.03481	0.3
94.98092	0.3
96.96053	0.1
97.02974	0.2
99.92587	0.1
101.02464	0.4
107.01382	0.2
109.02985	0.2
111.00912	0.1
113.02470	0.2
115.00437	0.1
116.92874	0.3
119.03526	0.2
119.04343	0.1
119.05040	0.4
121.02985	0.1
123.00973	0.1
123.04597	0.3
124.01650	0.1
125.02450	0.9
135.04553	0.2
135.08195	0.1
137.02455	0.4
145.03011	0.1
149.02470	0.2
151.00386	0.6
151.04060	0.3
152.00778	0.1
153.01949	0.1
159.11777	0.1
161.02493	0.3
161.04619	0.1
163.03995	0.1
164.01134	0.1
165.01979	0.2
165.12869	0.2
168.00623	0.1
175.02579	0.1
175.04066	0.1
177.01971	0.2
179.03671	0.1
179.05594	0.1
181.12387	0.1
187.04063	0.1
191.10817	0.1
203.07076	0.1
205.05214	0.1
207.10326	0.2
209.11841	3.6
211.13445	0.3
225.11403	0.2
227.12941	0.3
245.08324	0.1
271.06091	1.2
272.06509	0.3
285.04126	0.2
287.05588	0.2
289.07211	0.3
363.21701	0.1
379.13162	0.1
384.38034	0.1
397.13416	0.9
401.23529	0.1
415.14624	0.2
526.07635	0.1
664.28528	0.1
799.38116	0.2
817.22803	0.1
817.39209	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86483	0.1
59.01370	0.2
60.26407	0.1
60.99318	0.1
61.98829	100.0
62.98536	0.2
63.13115	0.1
63.99258	0.4
68.50271	0.1
69.61958	0.5
69.62363	0.2
75.00884	0.1
78.95930	0.3
80.96521	0.2
88.98817	0.2
98.19807	0.2
100.92040	0.1
101.02518	0.1
125.02493	0.3
126.21648	0.1
152.99660	0.1
157.08774	0.1
161.07210	0.1
171.10326	0.1
177.18005	0.1
178.51669	0.1
201.11389	0.2
202.11702	0.1
209.11830	0.3
210.12260	0.2
211.13467	0.2
216.31374	0.1
223.60956	0.1
255.09232	0.1
277.21658	0.6
278.22183	0.4
289.07248	0.1
646.78180	0.1
815.49573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
61.98832	2.4
70.78757	0.5
71.01381	4.3
72.99331	0.2
73.02956	0.8
73.49173	0.2
75.00857	1.2
78.95908	11.4
80.02689	0.8
81.03473	1.0
83.01414	0.3
83.05035	3.7
84.02177	0.5
85.02963	1.0
87.00887	0.6
87.29069	0.2
88.98821	0.4
89.02443	2.1
95.01406	0.2
95.05023	0.6
96.96980	2.7
97.06582	0.3
101.02454	2.4
103.03922	0.2
104.02373	0.2
104.36189	0.2
109.06602	0.8
113.02477	1.6
119.03524	0.4
125.06097	0.6
125.09701	0.2
133.05167	0.3
134.98601	0.2
135.08153	0.5
140.94612	0.2
145.05049	0.3
149.00594	0.2
151.44984	0.3
152.99605	3.4
153.09161	0.3
161.04599	1.4
163.11299	3.8
164.11635	0.2
165.12868	1.6
171.10280	6.3
172.10678	0.3
179.05617	0.5
181.12381	0.6
191.10805	1.0
196.04816	0.2
199.09776	0.4
201.11453	0.2
201.57741	0.2
207.10219	1.1
209.11833	100.0
210.12180	5.8
211.98232	0.3
223.00082	0.9
225.11220	1.5
227.12891	12.5
228.13287	0.6
235.08228	3.9
235.10455	0.4
236.08640	0.3
241.01170	5.9
247.99352	0.2
253.09267	8.4
254.09605	0.4
255.23279	7.0
256.23553	0.6
257.19522	0.3
259.02246	0.4
259.20535	0.3
275.19919	0.3
277.21713	85.0
278.22043	8.3
297.04022	0.3
391.22687	0.3
405.00284	0.2
445.20813	3.7
446.21002	0.5
463.21869	0.3
513.30756	1.8
725.39069	3.6
726.39270	0.9
753.73193	0.2
779.39923	1.5
797.41144	8.7
798.41199	2.3
815.41730	2.5
816.42804	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35914	0.2
60.99308	17.7
61.98833	4.1
61.99696	0.2
63.40790	0.2
66.57695	0.2
69.42200	0.9
69.42625	0.9
78.95908	0.8
87.00902	0.8
88.00415	2.1
88.98814	100.0
89.02450	12.3
89.99161	1.1
90.02752	0.2
96.96988	0.3
111.29569	0.2
121.83498	0.2
122.48377	0.2
152.99620	0.4
191.48338	0.2
209.11836	2.2
227.12885	0.3
241.01102	0.3
255.23198	0.4
277.21771	1.4
278.21951	0.3
332.61621	0.2
451.16473	0.2
795.39789	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89288	0.1
59.01372	0.2
61.98828	100.0
62.98537	0.2
62.99241	0.1
69.47939	0.8
71.01392	0.2
75.00881	0.2
78.95911	0.5
80.96533	0.2
82.29615	0.1
88.98816	0.1
97.02983	0.1
109.06602	0.1
111.04540	0.1
116.92805	0.1
125.02507	0.1
138.02666	0.1
140.01222	0.2
140.78633	0.1
152.99680	0.1
166.25769	0.1
171.10295	0.1
192.52727	0.1
195.13918	0.1
197.11914	0.3
209.11850	0.3
211.13383	0.1
223.13435	0.2
224.13806	0.1
289.07214	0.1
289.18015	0.2
291.19772	0.2
293.21307	0.3
309.20755	0.3
341.23434	0.3
491.48288	0.1
741.51654	0.1
754.44916	0.2
814.48328	0.3
815.49542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
59.37274	0.0
61.98825	100.0
62.98526	0.2
68.81971	0.0
68.94440	0.1
70.35031	0.2
71.01388	0.1
75.00854	0.1
78.95910	0.1
89.02454	0.0
152.99623	0.1
171.10283	0.1
197.11830	0.1
209.11812	0.1
211.13469	0.1
214.21396	0.1
223.13455	0.1
224.13710	0.1
261.54080	0.0
291.19748	0.1
309.20752	0.1
403.28006	0.1
754.44348	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	813.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
59.01376	5.2
61.98831	11.8
63.24190	0.4
69.03441	0.8
71.01385	3.4
73.02946	0.9
76.41511	0.4
78.95900	0.7
80.02673	1.2
81.03465	1.9
83.01400	1.0
83.05035	4.2
84.02170	0.7
85.02971	0.8
87.00872	0.7
89.02454	2.5
93.03432	0.4
95.05038	1.3
97.02956	1.9
97.06591	1.4
98.19868	1.0
99.00898	0.4
101.02439	3.7
107.05013	0.6
109.06606	3.8
111.04572	0.5
111.08138	0.7
113.02460	1.6
119.03489	0.5
121.02970	0.7
121.06573	0.9
123.04532	1.3
123.08190	0.8
125.02470	0.6
125.06088	1.0
125.09749	1.9
135.08148	1.0
137.09740	0.9
142.02757	0.7
145.03020	0.7
149.06136	0.4
151.11266	0.3
161.04555	1.3
161.09731	0.5
163.11288	7.6
164.11659	0.6
165.12878	2.6
171.10287	1.2
177.12830	0.4
179.05653	0.5
179.10834	0.5
181.12373	1.4
185.11800	2.7
191.10817	1.2
191.14439	1.8
197.11792	2.5
207.10275	11.1
208.10570	0.9
209.11835	100.0
210.12164	6.3
211.13376	1.7
223.13210	0.6
225.11325	4.7
226.11865	0.5
227.12898	10.3
228.13194	0.8
229.53210	0.5
235.08263	3.8
237.11324	0.8
245.19098	3.6
251.12939	0.4
253.09268	10.2
254.09630	0.6
263.20154	1.0
271.17154	0.6
289.18085	19.7
290.18375	2.4
291.19669	2.3
307.19128	18.9
308.19449	1.6
309.20691	5.7
331.18994	0.5
392.24805	0.4
443.19250	0.9
445.20633	1.4
461.20230	1.1
517.31726	0.5
543.28186	0.5
633.38324	0.4
637.32629	1.5
645.43439	0.4
717.38855	0.5
735.39563	1.3
753.40851	3.7
754.41791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01376	3.9
61.98828	100.0
63.20472	0.5
69.03472	0.6
71.01371	2.9
71.60931	0.9
72.99316	0.7
73.02946	0.9
75.00869	3.6
78.95903	1.3
80.02679	0.7
81.03436	0.8
83.01369	0.7
83.05036	2.6
84.02172	0.6
85.02986	0.6
85.47091	0.4
87.00897	1.2
89.02460	1.8
93.03454	0.6
95.01418	0.7
95.05046	0.7
97.02969	0.6
97.06584	2.2
99.00906	0.7
101.02447	2.1
104.79668	0.4
106.04177	0.5
109.02966	0.6
109.06612	1.0
111.08169	0.6
113.02476	1.1
117.03500	0.7
123.08224	0.5
125.02480	1.4
125.09753	0.8
145.02997	0.9
149.09818	0.6
149.11285	0.4
151.11279	2.3
152.99628	0.5
153.09106	0.5
154.84328	0.4
154.85762	0.5
155.10870	0.5
161.04579	1.1
163.11320	2.4
165.12865	3.0
167.10890	0.5
167.14250	0.5
171.10338	1.1
177.12874	0.5
179.10715	0.6
181.12340	3.0
183.13927	0.7
191.10844	1.5
191.14478	1.1
196.04672	0.5
197.11885	1.3
197.25349	0.4
205.12448	0.6
207.10327	1.1
209.11830	47.0
210.12134	2.5
211.13367	2.3
217.15886	0.6
222.14871	0.4
223.13408	1.0
224.13728	0.6
225.11418	0.9
227.12885	9.3
228.13289	0.6
235.08218	1.6
245.19066	2.5
245.49609	0.5
247.13506	0.5
253.09273	4.7
263.20108	4.0
271.17111	0.7
277.21878	0.6
279.19794	0.5
289.18073	7.2
290.18582	0.9
291.19586	1.7
292.19919	0.6
293.21259	0.9
307.19125	17.1
308.19623	1.6
309.20651	0.6
326.32819	0.4
445.20743	4.6
510.15689	0.7
517.35352	0.8
525.27240	0.6
543.27924	3.6
544.28656	1.1
569.17285	0.8
631.36896	0.6
637.32672	0.8
655.33173	0.7
716.24329	0.6
735.40344	1.3
753.44366	2.4
754.45880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
61.98827	100.0
62.98529	0.1
62.99253	0.1
64.67552	0.1
69.59059	0.3
69.59469	0.1
78.95921	0.2
88.98790	0.1
98.20598	0.1
101.95700	0.1
115.89867	0.1
116.92872	0.1
125.02460	0.1
141.85725	0.1
153.68948	0.1
209.11864	0.2
223.13304	0.1
253.52750	0.1
258.48373	0.1
261.80246	0.1
277.21762	0.2
307.19189	0.1
348.70712	0.1
471.35165	0.1
547.21173	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	813.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01375	2.4
61.98832	3.9
67.12697	0.4
67.41766	0.3
69.03420	0.4
69.39928	0.8
69.40350	2.1
71.01374	2.3
71.89999	0.3
73.02956	0.5
75.00874	1.0
81.03494	0.5
83.01415	0.5
85.02958	1.0
87.00890	0.7
88.98830	0.5
89.02439	0.8
93.03459	1.2
94.73492	0.3
96.96037	0.4
97.02976	0.4
99.00882	0.5
101.02444	0.8
105.03481	0.3
107.04993	0.3
108.02195	0.5
109.02940	1.2
113.02451	1.0
116.92892	0.4
119.03481	0.3
119.05059	1.6
121.03008	0.7
123.04512	0.8
125.02450	2.0
135.04517	0.5
137.02473	1.4
145.02937	1.2
149.02429	0.7
150.03250	1.0
151.00430	0.4
151.03996	0.7
152.01175	0.4
153.01973	0.5
155.10773	0.6
159.04488	1.3
161.02464	0.8
162.03055	0.3
165.01920	1.0
165.05606	0.9
168.00632	0.7
171.16423	0.3
175.03983	0.7
177.01912	0.4
179.10849	0.4
180.79787	0.3
187.03969	1.0
188.04817	2.2
189.05508	1.0
191.05618	1.1
193.04999	0.4
195.05013	0.4
195.06656	0.5
201.11316	0.4
202.06316	2.2
203.03448	0.4
205.04980	0.4
209.11871	0.6
211.07709	0.3
213.05598	0.6
214.06346	1.6
215.03496	22.8
216.03851	1.4
217.04782	0.4
225.05534	1.2
225.07716	0.5
227.01260	0.6
227.03502	12.7
228.03767	1.3
229.05070	0.8
230.05824	89.4
231.06377	12.7
232.06920	0.6
241.05046	5.5
242.05824	11.7
243.06532	6.1
244.07275	1.5
255.06514	0.5
257.08185	2.8
258.08929	5.1
259.06097	0.9
259.09482	1.0
262.87787	0.3
271.02585	0.4
271.06070	0.9
285.03845	0.7
287.05746	0.4
289.07126	0.6
299.09387	0.5
315.08929	0.3
357.11292	0.4
375.21689	0.4
387.08655	1.1
388.09619	0.3
401.10425	0.4
402.07126	0.6
403.11954	0.4
407.26657	0.3
413.10544	0.3
415.08252	0.8
427.11728	1.1
429.09457	2.8
430.11060	0.4
431.11469	1.3
444.12585	0.6
445.12811	3.0
446.13455	2.9
447.14108	0.6
455.11252	0.4
470.13763	1.1
471.14270	1.1
473.12366	41.9
474.12750	7.4
474.18988	0.6
475.82443	0.4
487.13831	0.4
488.07535	0.7
488.14743	23.7
489.15472	54.2
490.15839	9.1
501.15207	0.5
531.16382	1.0
650.19983	0.7
651.20905	100.0
652.21222	24.9
769.25671	0.4
813.25098	2.4
814.26636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01086	0.8
59.01378	9.8
59.33408	0.6
61.98830	32.9
69.03466	2.7
69.48029	4.7
71.01387	4.2
71.05007	0.7
73.02950	1.2
73.83311	0.5
78.79913	0.5
78.95901	0.6
83.01389	0.6
83.05038	0.7
85.02953	1.6
85.83436	0.4
87.00880	1.4
88.48205	0.5
89.02435	3.4
92.29135	0.5
93.03508	0.7
95.05069	0.5
101.02459	5.0
109.06602	2.2
111.08173	7.4
113.02450	2.1
116.75641	0.5
116.92868	1.8
119.03478	1.1
125.09713	0.7
145.05058	0.8
149.09755	1.0
150.78667	0.5
151.11322	0.6
153.09195	0.7
153.12834	0.5
161.04581	3.1
161.09818	0.5
167.10747	3.3
169.12314	3.2
171.10335	0.5
177.11150	0.5
179.05579	0.9
179.10774	1.1
179.14420	2.6
181.12430	0.9
183.01218	6.3
183.13959	0.6
195.13930	10.4
196.14218	0.6
197.11839	29.6
198.12167	2.1
199.13477	1.3
205.12329	10.9
206.12729	0.6
207.10321	2.2
209.11780	1.1
211.13379	5.5
221.11823	1.1
223.13388	100.0
224.13716	6.3
225.11301	1.1
227.12816	0.9
235.08208	8.1
253.09264	16.9
254.09563	0.8
263.20074	2.9
265.18076	0.9
291.19647	12.3
292.20010	1.5
297.15305	20.0
298.15613	2.2
309.20709	44.4
310.21036	5.1
336.14862	0.5
433.20883	0.7
441.21411	0.7
459.22324	17.6
460.22601	2.2
515.33954	1.5
527.28510	1.7
545.29712	2.0
546.30426	0.6
751.42896	4.5
752.43262	1.1
807.26575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.5
59.01392	1.5
61.98830	11.6
65.00319	0.5
69.03458	0.5
71.01383	2.0
71.64243	0.8
73.02951	0.5
75.00935	0.4
83.01413	0.7
84.18571	0.4
85.02980	0.9
87.00909	0.8
87.04547	0.5
88.98837	1.1
89.02453	0.7
93.03469	7.1
94.26305	0.4
95.01418	0.7
95.05062	0.5
97.02982	0.5
107.01409	0.7
107.05038	0.8
108.02200	3.3
109.02985	3.6
110.25441	0.4
113.02480	0.4
116.92864	3.5
117.03499	0.7
117.92892	0.6
119.05035	2.6
121.02959	7.2
122.03753	15.2
123.00922	0.8
123.04603	2.7
124.01688	1.2
125.02451	5.0
125.03202	0.5
131.41968	0.4
131.64113	0.5
133.02954	1.8
134.03757	2.8
135.04529	1.7
136.01677	7.3
136.02626	0.8
136.56453	0.4
137.02461	8.1
137.05954	0.4
138.03168	0.6
139.00391	0.6
139.04083	1.0
145.02919	2.2
146.03767	1.8
147.04544	1.3
148.01660	0.6
149.02458	30.5
149.06090	2.8
150.03239	100.0
151.00371	3.6
151.04033	20.3
152.01147	2.0
152.04651	1.5
153.00845	0.5
153.01878	2.0
153.05504	0.5
155.10799	0.7
155.69167	0.5
159.04553	0.6
161.02454	1.6
161.06053	1.3
162.03291	1.2
163.00398	0.6
163.04001	1.6
164.04808	5.8
165.01987	2.2
165.05579	89.9
166.02751	5.3
166.05907	4.5
167.03474	2.4
168.00760	0.7
175.04001	1.4
177.01944	1.7
177.05527	2.7
179.03546	0.9
179.07138	8.0
180.04303	6.3
181.05061	7.8
182.05409	0.6
184.03806	0.4
187.04025	1.4
188.04820	0.5
189.05496	0.6
191.03612	0.6
191.05603	1.3
193.05089	0.7
195.06627	48.6
196.06953	2.1
199.09789	0.8
202.06372	0.4
203.07098	0.7
204.04254	0.5
205.05054	2.6
207.06580	0.7
209.11722	1.0
219.06615	1.1
220.07414	2.1
243.02849	0.5
255.02872	0.9
259.06332	0.4
271.06088	5.1
272.06372	1.4
282.05313	0.5
283.02399	0.9
285.04028	0.8
287.05515	0.7
289.07034	1.3
315.08505	0.9
329.10220	1.0
371.11276	0.6
373.12518	0.6
387.10156	0.7
387.14923	2.1
388.11145	0.5
402.13074	1.2
403.13818	1.0
416.14575	1.0
417.10062	0.6
417.15576	9.3
418.15665	1.2
471.16257	0.5
535.17926	0.5
550.18054	1.0
551.19336	0.6
564.19995	1.8
565.20831	18.5
566.21259	3.9
595.21527	2.7
613.23145	4.4
614.23236	1.2
619.22040	0.7
713.26233	8.2
714.26190	2.4
743.27173	2.8
744.26984	1.0
761.28583	2.5
762.28180	0.6
773.27081	0.7
791.29163	1.4
809.28571	3.4
810.28729	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01377	6.7
59.01674	0.3
66.37305	0.3
69.03449	0.4
71.01382	6.6
72.99310	0.6
73.02949	1.1
77.15150	0.3
81.03460	0.7
83.01383	0.8
85.02956	3.0
87.00882	0.9
89.02452	5.3
93.03480	0.7
95.01408	0.6
95.05008	0.4
96.96955	0.3
97.02952	0.7
98.20649	0.9
99.00955	0.4
101.02441	4.6
101.06094	0.3
101.25486	0.3
101.36959	0.3
102.02782	0.3
108.02186	0.7
109.02948	3.6
109.58704	0.3
113.02450	2.6
115.00828	0.3
115.04006	0.5
117.03510	1.7
119.03512	1.9
119.05047	0.8
121.02940	0.6
123.04526	2.5
125.02478	2.3
125.13514	0.3
131.03484	0.4
132.02182	5.8
133.02951	1.0
134.03757	24.4
135.04443	1.1
136.01715	0.4
137.02446	2.0
139.04054	0.9
139.93982	0.3
143.03516	0.5
145.02977	0.9
147.04538	1.0
148.05310	0.7
149.02475	0.9
149.06099	3.6
150.03214	0.7
151.04051	1.4
159.04529	0.6
160.01682	35.7
161.02225	2.9
161.04616	0.7
161.06075	0.4
162.03207	0.4
163.04051	0.7
163.06136	1.8
163.07466	0.4
165.01894	0.7
173.04587	0.8
173.06081	0.7
174.03185	0.3
175.04022	43.4
175.98494	0.3
176.04678	5.2
177.01942	1.0
177.05571	0.7
178.02725	2.0
179.03441	0.9
179.05701	0.6
181.07199	3.6
187.04082	0.5
188.04829	0.6
189.01921	0.9
190.02693	0.6
191.03583	0.4
191.05606	0.8
191.07146	5.6
192.04260	0.3
193.05072	32.5
194.05438	1.9
195.06653	0.3
203.07162	1.5
205.05060	1.2
205.07166	0.4
207.06638	2.4
217.01451	0.6
219.02951	0.4
220.03810	1.0
221.08340	0.5
224.82317	0.3
235.06100	12.4
236.06461	0.6
245.08189	1.3
265.07245	1.9
289.07190	8.8
290.07571	0.9
295.08151	2.7
325.11447	1.9
337.09183	0.6
341.06540	1.9
343.12466	0.6
355.10382	0.9
383.09760	0.4
402.76306	0.3
407.15201	0.4
427.41525	0.4
465.11697	2.7
489.16077	0.4
519.17139	100.0
520.17468	15.3
520.25348	0.7
650.72046	0.3
809.26685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42542	3.6
58.11665	3.0
59.01379	6.9
61.98830	100.0
71.01388	11.2
71.62855	3.2
71.83871	3.4
78.95904	13.8
93.21568	3.2
104.63567	3.5
116.92871	3.4
117.03477	3.6
138.07281	3.3
145.03009	6.4
152.99586	3.2
170.72835	3.7
171.10274	7.8
195.13795	3.6
209.11819	46.9
211.13461	4.1
223.13324	5.8
225.11334	7.5
227.12848	8.5
247.67529	3.5
253.09254	9.4
275.20081	4.7
291.19571	8.0
293.21225	32.6
294.21521	5.6
304.38077	3.9
445.20889	5.4
495.28735	4.2
683.48944	4.0
807.42487	25.2
808.43329	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	809.253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01377	6.7
59.01674	0.3
66.37305	0.3
69.03449	0.4
71.01382	6.6
72.99310	0.6
73.02949	1.1
77.15150	0.3
81.03460	0.7
83.01383	0.8
85.02956	3.0
87.00882	0.9
89.02452	5.3
93.03480	0.7
95.01408	0.6
95.05008	0.4
96.96955	0.3
97.02952	0.7
98.20649	0.9
99.00955	0.4
101.02441	4.6
101.06094	0.3
101.25486	0.3
101.36959	0.3
102.02782	0.3
108.02186	0.7
109.02948	3.6
109.58704	0.3
113.02450	2.6
115.00828	0.3
115.04006	0.5
117.03510	1.7
119.03512	1.9
119.05047	0.8
121.02940	0.6
123.04526	2.5
125.02478	2.3
125.13514	0.3
131.03484	0.4
132.02182	5.8
133.02951	1.0
134.03757	24.4
135.04443	1.1
136.01715	0.4
137.02446	2.0
139.04054	0.9
139.93982	0.3
143.03516	0.5
145.02977	0.9
147.04538	1.0
148.05310	0.7
149.02475	0.9
149.06099	3.6
150.03214	0.7
151.04051	1.4
159.04529	0.6
160.01682	35.7
161.02225	2.9
161.04616	0.7
161.06075	0.4
162.03207	0.4
163.04051	0.7
163.06136	1.8
163.07466	0.4
165.01894	0.7
173.04587	0.8
173.06081	0.7
174.03185	0.3
175.04022	43.4
175.98494	0.3
176.04678	5.2
177.01942	1.0
177.05571	0.7
178.02725	2.0
179.03441	0.9
179.05701	0.6
181.07199	3.6
187.04082	0.5
188.04829	0.6
189.01921	0.9
190.02693	0.6
191.03583	0.4
191.05606	0.8
191.07146	5.6
192.04260	0.3
193.05072	32.5
194.05438	1.9
195.06653	0.3
203.07162	1.5
205.05060	1.2
205.07166	0.4
207.06638	2.4
217.01451	0.6
219.02951	0.4
220.03810	1.0
221.08340	0.5
224.82317	0.3
235.06100	12.4
236.06461	0.6
245.08189	1.3
265.07245	1.9
289.07190	8.8
290.07571	0.9
295.08151	2.7
325.11447	1.9
337.09183	0.6
341.06540	1.9
343.12466	0.6
355.10382	0.9
383.09760	0.4
402.76306	0.3
407.15201	0.4
427.41525	0.4
465.11697	2.7
489.16077	0.4
519.17139	100.0
520.17468	15.3
520.25348	0.7
650.72046	0.3
809.26685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
58.00586	0.2
59.01374	2.6
61.98825	2.2
65.91649	0.1
69.03464	0.2
71.01383	2.3
71.31001	0.1
72.99325	0.2
73.02949	0.3
75.50600	0.1
78.91908	0.1
78.95914	0.4
80.91704	0.1
82.95428	0.3
83.01410	0.2
83.05025	0.2
85.02956	0.7
87.00898	0.4
89.02447	1.8
95.01404	0.2
95.05025	0.2
99.00877	0.2
101.02450	2.1
111.08184	0.4
113.02467	1.3
113.09747	0.3
119.03521	0.6
125.02425	0.1
131.03532	0.1
141.09216	0.1
143.03505	0.3
151.91293	0.1
152.99631	0.2
161.04573	1.4
167.10774	0.5
169.12292	0.1
171.10341	0.5
177.12894	0.3
179.05649	0.4
179.14407	0.9
181.12402	0.2
195.13902	8.8
196.14351	0.9
205.12306	0.6
205.15977	0.4
206.12640	0.1
211.13412	0.5
223.13382	5.6
224.13812	0.4
225.14970	0.1
228.13693	0.7
229.59003	0.1
231.21196	0.4
235.08217	0.9
239.12810	0.1
249.22087	0.2
253.09271	17.9
254.09599	1.0
256.13107	1.1
265.21759	0.5
275.20157	5.7
276.20453	0.7
277.21780	0.1
281.24924	0.1
293.21204	100.0
294.21542	10.2
294.25034	0.1
492.22049	0.4
511.29276	0.1
529.30084	1.4
530.30457	0.3
569.42090	1.5
570.42169	0.3
759.49951	0.1
768.42950	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	807.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01374	4.3
61.02936	0.9
61.98831	7.3
63.02386	1.5
65.00325	14.1
66.00669	0.4
71.01380	3.3
72.99310	1.2
73.02946	0.5
74.61505	0.3
75.00883	0.6
78.95918	0.3
79.01934	0.2
79.95747	0.4
81.03452	0.4
83.01388	6.1
83.05022	0.3
85.02977	0.3
87.00873	0.9
88.98798	0.5
89.02462	1.3
93.03468	2.1
95.01404	0.5
97.02950	0.5
97.22511	0.3
101.02470	0.8
105.01939	1.1
107.01398	21.9
108.01729	0.9
109.02961	2.1
109.06649	0.3
113.02451	0.3
115.00384	4.7
116.92864	2.7
117.01929	0.4
117.03515	0.4
119.05032	4.6
120.05406	0.9
121.02962	0.7
122.03698	0.3
123.04527	1.1
124.01705	0.3
125.02456	6.7
126.02825	0.4
131.01421	0.8
132.86821	0.6
133.01453	11.9
133.02957	0.6
133.05115	1.8
134.03746	1.0
135.04538	54.0
136.04855	2.6
137.02470	1.8
145.02994	0.5
149.02414	0.5
150.03239	0.5
151.00385	100.0
152.00722	4.9
153.02007	0.4
153.05583	0.7
159.04491	0.3
161.02461	1.3
161.04570	0.4
161.06091	0.3
163.04012	0.6
165.01950	1.7
167.03520	0.5
169.01425	3.1
171.10205	0.3
174.03207	0.3
175.00375	2.1
175.04016	0.3
176.00815	0.3
177.01944	1.3
178.02621	0.3
179.03529	0.5
183.13867	0.4
193.01430	1.1
193.05064	0.4
195.06604	0.3
197.11902	0.6
199.09758	0.5
199.13399	2.5
201.05441	0.3
209.11870	4.6
210.12138	0.5
217.01477	0.3
225.05626	0.4
227.12836	0.8
230.87881	0.3
241.04939	0.3
243.82030	0.3
245.08331	0.3
259.06076	0.3
269.04599	0.8
271.06122	11.1
272.06372	3.7
273.06747	1.5
285.04037	0.5
287.05603	85.4
288.05939	7.9
289.07101	1.0
303.05057	0.7
311.05600	0.6
329.06583	0.4
375.27472	0.4
397.13568	1.0
499.64072	0.3
592.90900	0.4
666.75360	0.3
671.33099	0.9
783.14081	0.3
807.38385	10.6
808.39185	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	805.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
59.01377	0.7
61.98827	2.6
63.02392	2.4
65.00321	7.6
66.00646	0.2
67.98981	0.1
69.66167	0.6
69.66581	0.3
71.01389	1.0
73.02956	0.2
78.95931	0.4
80.02674	0.1
81.03476	0.2
83.01390	4.6
83.05036	0.1
85.02943	0.3
87.00890	0.2
88.98801	0.2
89.02450	0.3
91.88870	0.1
93.03465	4.8
94.03777	0.2
95.01376	0.2
96.96017	1.9
96.96978	0.5
97.02985	0.3
98.17766	0.1
98.95610	0.6
99.00846	0.2
99.75873	0.1
99.92594	0.2
101.02465	0.5
101.22204	0.1
103.01898	0.2
107.01399	13.8
108.01708	0.3
108.99339	0.2
109.02965	0.6
113.02466	0.4
115.92147	0.2
116.92882	0.5
117.03492	0.3
118.96369	0.1
119.05037	22.7
120.05381	1.0
121.02993	0.4
123.04505	0.2
125.02463	3.2
125.09731	0.2
126.74258	0.1
131.01404	0.5
131.07634	0.2
133.02998	0.3
134.03784	0.2
135.04532	10.9
136.04858	0.5
137.02467	0.8
143.05070	0.4
145.02965	1.2
149.02438	0.3
151.00385	52.5
152.00699	2.1
153.01953	0.2
155.10851	0.2
161.02470	0.4
161.04587	0.6
161.06114	0.6
163.04018	0.2
164.01178	0.2
165.01945	2.5
169.01447	2.3
171.10333	0.4
175.00377	1.4
177.01939	4.5
178.02237	0.3
178.99962	0.1
179.03532	0.3
179.05626	0.1
182.38794	0.1
183.10254	0.3
185.06071	0.8
187.03996	1.1
189.01884	0.4
193.01419	1.1
197.11813	1.7
201.11324	1.8
203.07057	0.2
207.10443	0.2
209.11856	2.0
215.12837	0.2
225.11147	0.2
227.07187	1.3
227.12878	0.6
229.05043	0.4
229.44437	0.1
243.12309	0.2
247.52718	0.1
253.09267	0.2
258.97263	0.1
271.06091	100.0
272.06424	9.4
273.06796	0.1
285.04028	0.6
287.05603	17.6
288.05875	1.5
289.07172	0.1
295.06119	1.3
296.06458	0.2
303.05072	0.5
313.07187	0.5
345.15497	0.6
371.24524	0.2
373.26007	0.1
379.12375	0.2
389.25418	0.6
397.13632	0.9
415.14288	0.1
459.19153	0.2
533.29352	0.2
548.77789	0.1
617.22632	4.7
618.22821	1.0
805.37073	2.6
806.37756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59872	0.5
59.01388	1.0
61.98840	0.7
69.03459	1.6
70.82014	0.7
70.82355	1.2
78.95905	53.2
81.03479	0.9
83.05061	1.3
84.02165	5.9
84.02573	0.5
96.96977	4.3
97.02977	2.5
97.06603	6.3
99.04518	1.4
106.84978	0.6
109.06628	1.7
116.76249	0.6
125.09740	1.8
127.11319	1.3
134.98534	0.7
137.09792	1.3
137.11166	0.5
150.98109	1.1
152.99602	71.3
153.99956	1.5
157.56584	0.6
163.11253	0.8
165.12891	0.6
171.00648	7.3
171.10278	26.2
172.10567	0.9
183.13889	1.3
185.11726	0.7
193.12335	10.8
199.09718	2.8
207.10349	1.8
209.11850	3.0
211.13377	4.4
221.11800	1.4
225.11365	1.8
225.14961	16.4
226.15222	1.0
227.03265	6.6
227.12817	0.9
243.16002	6.9
244.16397	0.9
245.04314	2.7
253.14412	1.4
253.21712	23.2
253.24409	1.2
254.22092	2.1
255.23328	2.3
291.19620	2.0
305.21344	1.0
309.59882	0.6
341.23328	37.8
342.23633	4.5
453.15012	1.7
455.16904	1.3
471.16315	2.4
477.22769	5.4
501.80484	0.7
551.26581	4.3
565.10767	0.7
569.27374	75.8
570.27649	12.5
653.81415	0.6
691.38928	1.5
707.38037	7.6
708.37262	1.1
805.48944	100.0
806.49347	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.0
59.01382	3.9
61.98831	13.2
63.02403	3.2
65.00318	8.3
71.01386	4.2
71.65754	0.6
73.02956	1.0
75.00874	1.1
78.95901	0.9
81.03467	3.6
83.01395	10.7
83.05035	0.5
85.02982	2.0
87.00894	2.0
88.98835	1.9
89.02456	2.1
93.03472	10.4
95.01395	1.2
95.05032	0.6
96.96030	4.0
96.96980	1.4
97.03013	1.0
101.02481	2.4
107.01405	15.1
107.05082	0.5
108.01682	0.9
108.02307	0.8
109.02964	2.9
111.00874	0.6
113.02473	1.1
115.81679	0.5
116.92867	3.0
117.03484	1.3
119.05040	23.4
120.05384	1.9
121.02985	2.0
123.00912	1.3
123.04560	3.3
124.01714	2.1
125.02463	52.9
126.02815	1.6
129.81871	0.5
131.01401	0.6
131.05061	1.4
133.02983	2.8
133.06621	0.5
134.03740	0.8
134.06113	0.7
135.04565	2.4
137.02452	5.0
139.04034	1.9
143.05020	0.6
145.02995	3.6
145.06673	0.6
147.04530	0.6
149.02480	2.8
149.06146	0.7
150.03244	0.9
151.00389	41.3
151.04027	1.8
152.01178	4.7
153.01962	10.6
154.02324	0.6
155.10812	1.2
157.06587	1.7
158.03748	1.5
159.04546	1.9
161.02484	2.1
161.04578	0.7
161.05975	0.7
163.00449	0.9
163.04030	1.9
164.01143	0.8
165.01994	4.7
165.05603	0.8
166.02725	1.1
167.03539	1.4
169.01433	3.9
171.04625	0.7
172.05310	5.0
173.06087	9.6
175.00378	1.9
175.03983	3.1
176.01166	1.2
177.01936	4.7
177.05513	3.8
178.99872	10.7
179.03505	0.6
181.01457	0.9
181.05074	1.0
181.07097	0.9
181.12366	0.6
183.13983	0.6
185.06059	0.7
187.04013	1.3
187.07722	1.0
189.01959	0.7
191.05676	0.6
193.05122	0.6
197.06122	0.6
197.11865	3.4
199.03888	0.9
199.07654	2.3
199.09656	0.8
200.04823	1.5
201.05586	3.9
203.03461	1.0
203.07108	0.8
205.05006	0.8
209.11852	4.0
213.05583	1.1
214.06190	0.5
215.07126	12.3
217.01414	1.3
219.06567	0.6
225.11316	0.7
227.07147	1.4
227.12808	1.0
241.05083	3.4
243.06631	8.4
244.06911	0.9
255.06821	1.0
259.06100	100.0
260.06427	8.4
269.04575	3.9
271.06097	61.9
272.06439	13.2
273.06577	4.1
274.07339	0.6
277.52454	0.5
283.06116	9.5
284.06433	0.9
285.04001	0.9
287.05603	90.5
288.05911	7.8
289.07166	1.5
295.06186	0.8
301.07147	3.5
311.05630	2.0
313.07230	0.9
371.17145	0.8
373.26355	0.7
397.13629	1.2
535.24164	0.9
733.23175	0.8
773.29431	2.0
777.37604	11.9
778.37860	2.8
805.37225	14.3
806.37555	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	805.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
58.00584	1.8
59.01377	32.3
60.01704	0.6
61.98824	5.0
65.00322	2.5
69.35365	2.3
69.35792	2.9
71.01006	1.2
71.01382	20.6
72.99303	2.0
73.02932	1.3
75.00940	0.6
76.91749	0.6
83.01380	2.7
85.02953	4.8
87.00882	1.1
89.02452	13.6
93.03466	2.4
94.06644	0.9
95.01382	2.2
96.96003	1.0
99.00883	1.2
100.33593	0.6
101.02453	10.2
105.05862	0.7
106.06629	4.6
107.01395	2.3
107.03778	2.6
108.02182	0.7
109.03032	0.8
113.02449	7.2
119.03548	5.0
119.05052	6.6
120.08206	12.5
121.02957	0.9
122.06138	18.1
124.07667	0.9
125.02442	2.0
132.04558	2.2
134.06137	31.3
135.06461	1.1
136.07765	1.5
137.02452	1.2
145.02934	1.1
150.03169	1.3
150.05667	1.3
151.00386	8.7
152.01137	0.8
152.07185	6.6
153.01930	0.8
158.02477	1.3
159.02945	0.8
160.04022	1.4
161.04616	0.7
162.05620	1.2
163.03951	0.6
164.07112	0.8
165.01868	0.9
172.07709	1.1
174.05568	0.9
177.01955	0.8
190.02763	0.6
190.05093	4.1
191.05434	0.8
192.06616	0.7
200.50714	0.6
205.04590	0.6
209.11870	1.1
211.12251	0.9
221.10898	1.0
223.08707	4.8
224.09431	1.8
225.10249	1.5
235.08713	1.5
235.12407	0.9
236.09521	1.3
237.10313	5.7
238.11008	2.1
239.11859	6.9
241.13527	1.5
249.06715	1.3
249.10268	3.3
250.07401	1.2
250.10884	0.8
251.08331	3.7
251.11882	6.4
252.12442	1.4
253.09636	0.6
253.13513	1.6
261.10199	1.1
262.07465	0.9
262.11014	0.7
263.08218	5.4
263.11810	1.9
264.09030	9.5
265.09763	8.2
265.13419	1.1
266.10214	1.1
267.11411	1.0
271.06104	21.3
271.10672	1.4
272.06497	2.0
275.08081	1.1
276.08963	2.5
277.09821	8.2
278.10617	3.6
279.11368	29.2
280.11945	6.1
281.12860	3.3
285.12238	1.3
289.07135	0.8
291.11337	6.9
292.08575	1.0
292.12027	5.0
293.12924	2.4
294.13647	1.8
305.09338	2.5
307.10779	1.6
314.12625	3.1
323.10391	3.6
324.11261	3.9
325.11700	1.6
326.12698	1.4
337.11938	1.7
338.12479	1.0
348.72446	0.6
349.54761	0.6
355.13284	0.9
356.13812	0.8
356.17722	0.8
358.15277	0.8
358.19315	1.3
369.14450	0.9
370.15479	2.6
371.16183	1.5
372.17059	1.2
384.17044	3.7
385.17676	1.4
386.14392	1.0
386.18616	2.3
399.19626	1.1
400.16464	1.1
401.21072	1.4
402.18259	1.8
414.18066	1.8
418.21280	0.9
426.18304	2.7
427.18781	1.1
428.15643	0.9
430.17517	1.0
431.18341	1.2
433.19583	0.7
442.17761	0.7
443.18665	1.6
444.19299	4.1
445.19702	1.3
453.17209	1.0
458.16571	0.9
460.18854	1.8
462.20306	2.8
470.17471	0.8
471.18057	2.9
472.18509	3.8
473.19290	3.1
488.18076	1.4
489.18661	0.8
490.19995	5.3
491.20734	1.2
532.20581	1.2
547.23419	0.7
550.21881	0.9
561.47577	0.8
564.23462	1.5
565.24170	1.1
575.22467	1.0
606.24469	4.0
609.16541	1.2
610.23682	1.0
623.24719	1.0
633.22668	0.9
634.24463	0.9
650.23663	7.5
651.24432	9.3
652.24957	1.5
682.26349	14.6
683.26782	4.6
729.31390	1.8
745.31183	1.1
773.30634	100.0
774.30945	26.5
805.33264	65.1
806.33649	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.08665	0.1
62.92271	0.1
62.98532	0.2
62.99256	0.1
63.99262	0.3
69.43893	0.4
69.44296	0.2
70.25117	0.1
71.01402	0.1
78.95903	0.7
79.95750	0.1
80.96530	0.1
96.96968	0.1
108.57102	0.1
125.02482	0.1
152.99628	0.2
165.41791	0.1
207.10226	0.1
209.11902	0.4
210.12288	0.2
241.01244	0.3
277.21762	0.2
278.22046	0.1
285.98730	0.1
312.23352	0.1
804.40277	0.8
805.39911	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.237
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65464	0.2
59.01370	1.3
59.83064	0.2
61.98823	0.6
69.03455	0.2
71.01400	0.6
72.87595	0.2
73.02972	0.2
73.35129	0.2
75.00883	0.2
81.03478	0.7
83.01393	0.2
85.02951	0.7
93.03467	0.7
95.01384	0.6
97.02943	0.3
101.02469	0.3
101.47678	0.2
106.72141	0.2
107.05040	0.4
108.02186	84.0
109.03015	12.0
109.09585	0.2
110.03320	0.4
113.02459	0.2
119.05080	0.2
121.02966	5.1
123.00888	0.5
123.04544	1.4
125.02407	1.0
133.03004	1.1
135.00871	0.5
135.04552	0.6
137.02414	1.2
137.09747	0.3
151.04034	2.3
152.01176	54.3
153.01971	17.2
154.02277	0.6
155.10812	1.2
161.02448	0.3
163.04022	1.3
165.01965	1.7
166.79781	0.2
167.03471	0.3
168.00665	0.3
177.01907	0.3
185.06097	0.3
189.26581	0.2
191.05608	0.4
195.02968	0.3
199.09760	0.3
228.45715	0.2
255.02893	0.3
283.02405	0.4
285.04056	0.9
285.06894	0.2
297.06161	0.3
367.11926	0.6
368.12457	0.3
385.12939	0.8
419.09821	100.0
420.10181	12.2
420.15884	0.5
431.09525	0.3
580.14600	0.4
619.17194	0.4
805.27753	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
58.00602	1.0
59.01375	8.5
61.98829	34.4
62.12708	1.0
69.03447	1.2
70.10493	3.3
70.10903	1.8
71.01389	17.1
71.05025	1.2
73.02946	2.9
78.95911	3.1
79.95726	1.3
80.02689	2.0
80.96522	4.2
81.03461	2.0
83.01397	2.6
83.05032	5.9
84.02172	1.3
85.02960	3.3
87.00902	3.3
88.98797	1.6
89.02441	4.3
94.98111	1.1
95.05034	1.5
96.96011	1.4
97.02956	4.8
97.06617	3.0
98.20637	1.1
99.00901	2.0
101.02446	5.9
109.02943	2.0
109.06596	4.8
113.02483	3.2
113.06164	0.9
116.92877	3.8
121.66505	0.9
123.04533	2.4
123.08198	1.3
125.02419	2.6
125.06042	1.2
125.09720	6.0
135.08179	1.3
137.02470	0.9
137.09735	2.6
143.03516	2.3
145.05048	1.1
145.87357	1.0
151.11423	1.0
161.04558	3.0
163.11302	10.8
165.12857	4.9
167.10779	2.1
171.10289	27.8
173.95857	0.9
181.12381	4.4
185.11806	6.2
191.10712	1.2
191.14456	3.5
197.11877	5.7
199.09756	1.2
201.11272	10.6
207.10254	14.4
209.11827	100.0
210.12196	8.0
211.13390	3.8
215.12869	2.0
225.11311	23.5
226.11723	2.4
227.12892	11.5
228.13028	1.1
232.14055	1.0
235.08153	4.3
243.12349	2.9
245.19090	4.2
246.19322	1.1
253.09291	16.5
263.20123	1.7
289.18063	15.5
290.18195	1.4
291.19623	16.8
292.19946	1.9
295.10199	1.0
307.19150	13.7
308.19275	1.3
309.20715	29.7
310.21173	4.5
397.13553	1.1
443.19141	1.2
449.75491	0.8
461.20279	5.0
467.45502	1.1
487.34018	1.4
491.95743	1.0
503.20142	0.9
551.24524	0.9
552.84796	0.9
600.37177	0.9
753.41321	1.9
803.38556	5.4
804.40253	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	803.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
58.90664	0.2
59.01380	1.2
61.98829	12.0
62.77981	0.2
63.02387	1.7
65.00323	14.2
66.00672	0.2
68.99565	0.2
71.01392	1.5
71.59034	0.3
73.02954	0.5
78.95919	0.8
80.91689	1.1
81.03458	0.5
83.01390	6.3
83.05032	0.3
85.02973	0.6
87.00898	0.5
88.98825	0.5
89.02448	1.0
93.03454	1.1
96.96024	2.4
96.96954	0.5
97.02941	0.7
99.00915	0.4
101.02448	0.9
104.71323	0.2
107.01402	22.5
107.05039	0.4
108.01678	0.5
109.02954	2.5
113.02454	0.5
116.92854	1.8
117.03450	0.4
119.05036	3.4
121.02953	0.6
123.04520	0.8
125.02459	7.8
125.09788	0.3
126.02797	0.3
131.01389	0.6
133.02979	0.5
134.03748	1.0
135.04536	56.9
136.04865	3.1
137.02513	1.7
145.02968	1.1
149.02411	0.6
150.16281	0.3
151.00385	100.0
152.00725	3.9
153.01880	0.6
159.04556	0.3
161.02406	1.4
161.04619	0.3
163.04056	0.4
164.01173	0.6
165.01921	1.5
169.01428	3.7
170.01807	0.4
171.10269	0.9
175.00389	2.1
175.04034	0.4
177.01942	1.9
178.99843	0.5
179.17348	0.3
183.13824	0.3
189.01939	0.4
193.01408	1.0
197.11810	0.4
201.05595	0.5
209.11746	0.7
211.13391	0.9
217.01509	0.4
221.06566	0.3
225.11366	0.7
255.03035	0.3
259.06186	0.5
269.04468	0.6
271.06104	11.9
272.06390	1.0
285.04095	3.4
287.05597	98.2
288.05939	8.6
289.06937	0.3
303.04935	0.7
311.05643	0.7
329.06534	0.4
335.14621	0.3
341.06635	0.3
366.07993	0.3
371.24298	0.3
373.26126	0.5
435.10596	0.4
461.65961	0.3
479.37512	0.4
641.42383	0.4
667.29681	1.1
668.29602	0.4
785.39471	0.5
803.35193	7.3
804.34741	2.2
823.25397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
58.00579	0.9
59.01378	25.3
60.01707	0.3
61.98531	0.6
61.98829	8.3
63.02391	0.5
65.00328	2.4
69.37498	1.3
69.37917	1.5
71.01005	0.6
71.01387	12.6
72.99310	1.5
73.02944	1.2
78.95910	0.7
80.05073	1.7
81.03471	0.5
83.01389	3.1
85.02949	4.2
87.00875	1.1
88.98808	0.4
89.02451	8.6
93.03462	2.4
95.01395	1.1
96.96017	0.8
96.96981	0.7
99.00888	0.8
101.02455	7.1
104.05045	0.6
106.06627	3.9
106.99120	0.3
107.01402	3.8
108.04559	0.4
109.02967	0.4
109.06602	0.3
113.02472	4.3
116.05114	0.4
116.92857	0.5
119.03573	3.0
119.05043	9.6
120.04564	0.6
120.05354	0.6
120.08197	1.1
121.05334	1.3
122.06131	8.2
123.04490	0.5
125.02458	4.0
132.04579	2.5
134.06137	23.1
135.04572	0.4
135.06459	1.0
137.02452	1.3
145.02902	0.7
146.06058	0.5
148.04094	0.7
148.07710	0.4
150.05626	0.4
151.00386	15.7
151.03983	0.7
152.00771	0.9
152.07173	3.4
153.01971	0.5
158.02458	0.5
159.05571	0.4
160.04105	1.5
160.06451	4.0
161.04703	0.7
161.05957	0.3
163.04059	0.6
165.02007	1.4
169.01450	0.5
170.09706	0.3
172.07625	0.4
174.05641	1.2
175.00424	0.6
177.02011	1.5
190.05107	2.5
192.06641	0.5
197.07213	0.6
198.12984	0.4
209.11807	0.6
213.10339	17.8
214.10652	1.2
219.06490	0.4
223.08984	0.6
225.10329	1.4
226.11098	1.7
227.07172	0.5
227.11856	1.0
235.08731	0.8
236.09329	0.4
237.10271	0.7
239.11897	8.5
240.12175	0.9
241.13438	7.6
242.13892	1.1
249.10532	0.5
251.08080	0.3
251.11864	2.5
252.12343	0.4
253.09222	0.3
253.13361	0.4
259.06100	4.4
260.06390	0.4
263.08231	0.4
265.09750	1.3
265.13513	0.4
267.11453	1.4
269.04449	0.5
271.06104	31.9
272.06424	3.0
277.09821	1.6
278.10355	0.5
279.11374	1.2
283.06134	0.4
285.12445	22.8
286.12851	2.1
287.05618	4.2
291.12140	0.5
292.08585	0.6
293.12891	1.8
295.10843	0.8
305.09286	1.6
307.10742	0.9
309.08780	0.8
309.13150	0.5
311.05688	0.3
314.12714	1.0
316.14587	0.9
327.09897	0.4
328.10837	2.2
328.14374	0.6
329.11420	0.4
330.12436	0.9
332.17798	0.6
337.11972	1.7
340.10931	0.6
340.14648	1.4
341.11841	0.7
342.12585	1.8
342.16153	0.5
343.13205	2.2
344.13864	1.6
352.15045	0.4
354.12616	0.6
355.13132	1.0
356.13916	2.4
356.17798	0.9
357.14725	1.8
358.15640	7.1
359.16046	1.3
368.10269	1.2
368.14120	0.9
369.11386	0.5
369.15405	3.3
370.11688	1.0
370.15628	2.1
372.17191	1.2
380.10220	0.4
381.11011	0.4
382.11469	0.6
382.15576	1.0
383.12463	0.5
384.13226	4.3
384.17444	1.4
385.14078	1.2
385.23880	0.9
396.13531	1.2
397.14258	2.1
398.14999	4.1
399.15555	1.1
400.16678	8.8
401.16867	1.5
403.24921	21.2
404.25256	2.1
410.15018	1.4
412.16675	6.3
413.16849	1.8
426.14090	1.5
438.14572	1.0
444.15524	2.4
445.15894	0.4
456.15427	0.7
466.60635	0.3
475.17184	0.9
477.23059	0.5
490.20068	0.4
503.21643	0.3
505.22144	1.4
506.22778	0.7
517.18036	1.6
519.23474	0.5
532.20282	0.3
545.21954	0.9
547.23242	0.6
563.22906	1.1
573.21478	0.7
591.21985	0.4
641.22577	2.6
642.22998	0.8
659.30957	0.7
685.28809	1.1
707.27081	0.4
725.28143	0.9
727.30029	5.7
728.30267	1.1
730.28394	0.4
743.29437	1.8
744.29468	0.6
753.27753	1.2
771.29095	100.0
772.29376	28.2
775.36169	0.4
803.31610	24.9
804.31976	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	803.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
58.00597	0.5
59.01379	26.8
60.01702	0.4
61.98826	3.7
63.02377	0.5
65.00323	2.3
70.09992	0.4
70.22309	1.2
71.01384	11.7
72.99308	1.2
73.02956	0.8
80.05059	2.1
83.01399	2.4
85.02956	3.0
87.00880	0.7
89.02456	9.0
89.08264	0.3
92.05099	0.5
93.03477	1.9
94.06625	0.4
95.01389	1.2
99.00860	0.7
101.02454	7.6
104.05094	1.0
106.06626	4.4
107.01404	3.5
107.03788	0.4
113.02465	3.5
113.52633	0.4
116.92886	0.4
119.03537	2.7
119.05042	6.8
119.66393	0.3
120.04557	0.8
120.07384	0.4
120.08217	1.3
121.05353	1.6
122.06133	8.5
123.04525	0.6
123.06470	0.4
125.02428	2.5
132.04568	2.7
134.06139	23.7
135.06442	1.1
137.02457	0.6
145.02913	0.9
146.06116	0.9
148.04062	0.8
150.05635	0.4
151.00389	10.8
152.00742	0.5
152.07202	3.4
153.01903	0.5
158.02461	0.9
158.06126	0.5
159.05672	0.7
160.04041	1.3
160.06400	3.4
161.02458	0.4
163.03932	0.4
165.01921	0.8
174.05569	1.1
175.00443	0.4
177.01967	1.5
190.05089	2.1
197.07257	0.5
198.12917	0.5
207.29279	0.4
211.08769	0.7
213.10332	17.4
214.10602	1.0
223.08687	1.0
225.10469	1.3
226.11102	1.3
227.11810	1.5
235.08687	0.7
236.09567	0.4
237.10246	0.9
239.11905	7.6
240.12288	0.7
241.11089	0.6
241.13458	8.6
242.13786	0.9
243.06436	0.4
249.10442	0.6
251.11926	2.5
253.09540	0.4
259.06107	2.6
262.07053	0.4
263.08160	0.8
265.09830	1.0
267.11414	1.2
271.06113	23.4
272.06519	2.2
277.09882	1.2
278.10495	0.5
279.11349	1.1
285.12454	22.0
286.12808	2.1
287.05603	2.6
291.12097	0.7
292.08279	0.5
293.09750	0.5
293.13004	2.3
295.10767	0.7
305.09320	2.0
307.10901	0.4
309.08884	0.4
313.13464	0.5
314.12701	1.0
315.14615	0.8
316.14523	0.7
328.10825	2.0
328.14462	0.6
328.75647	0.4
329.11383	0.5
330.12558	0.8
332.17722	0.7
337.11993	2.2
340.14474	1.2
341.11768	0.4
342.12338	1.2
343.13220	2.0
344.13943	1.4
354.12378	0.7
355.13226	1.1
356.13913	1.9
356.17841	0.8
357.14963	1.8
358.15643	7.4
359.15921	1.6
366.12332	0.8
368.10318	1.1
368.14243	0.9
369.15213	3.1
370.11520	1.8
370.16089	1.7
371.12161	0.5
371.16272	0.6
372.17477	1.9
381.11066	0.5
382.11456	0.8
382.15674	1.1
383.12640	0.6
384.13150	4.0
384.18005	2.0
385.14096	1.2
396.13458	1.4
397.14258	2.2
398.14954	3.4
399.15781	1.4
400.16635	7.2
401.16898	1.0
403.24878	10.2
404.25217	1.2
410.14987	1.4
412.16699	6.7
413.16919	1.0
426.14279	1.9
428.16132	0.5
438.14471	0.6
444.15308	2.1
475.17264	0.4
477.22733	1.1
485.15720	0.5
490.20187	0.7
491.20734	0.5
503.21359	0.5
505.22537	1.2
506.23041	0.6
517.18243	2.0
518.19421	0.7
519.23877	0.5
545.21741	1.2
547.23529	0.5
563.22784	0.5
573.21411	0.9
591.22351	0.9
641.22308	2.0
659.30719	0.5
685.28229	1.0
725.27502	0.7
727.30096	4.4
728.30475	1.2
731.30432	0.5
743.29382	2.0
753.27820	1.5
771.29089	100.0
772.29382	27.8
803.31671	26.0
804.32019	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	803.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.6
58.69733	0.4
59.01381	5.5
61.98829	4.2
65.00354	0.5
70.39785	0.5
71.01386	2.8
71.66189	0.5
73.02934	1.4
75.00874	1.6
77.89948	0.4
83.01392	0.9
84.50613	0.4
85.02958	1.4
87.00887	0.7
89.02444	1.8
93.03470	3.2
95.01418	0.6
97.02919	0.6
101.02471	1.8
107.01400	1.3
108.02165	1.2
109.02963	1.8
113.02437	0.6
116.92857	0.8
117.03477	0.8
119.05038	5.2
123.04546	0.5
125.02445	2.2
129.15547	0.5
132.02248	0.5
135.04515	1.0
137.02431	1.8
145.02954	2.0
146.40051	0.4
150.77141	0.4
151.00388	1.5
151.06136	0.5
152.01134	1.3
153.01949	1.2
155.10802	1.4
161.02481	0.6
161.04530	0.6
163.00401	1.1
163.04083	2.5
165.01930	1.0
165.04086	0.7
168.00665	0.6
171.04550	0.6
175.03986	0.5
179.10831	0.9
185.06114	1.4
187.03996	1.5
189.05688	0.7
191.05637	2.0
199.09785	0.9
201.05664	0.4
210.78864	0.5
211.03979	1.6
213.05559	1.0
221.68672	0.4
227.03514	26.6
228.03897	2.2
229.05054	6.5
239.03543	0.8
241.05090	1.0
255.02979	40.7
256.03589	5.8
257.04565	3.9
267.02914	0.8
271.06113	1.1
283.02563	0.6
284.03262	47.2
285.04022	68.1
286.04391	6.7
289.07217	0.9
370.89941	0.6
371.13333	0.9
431.09833	100.0
432.10181	13.1
550.56091	0.5
771.27606	0.5
803.29651	4.0
804.30457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21910	0.1
61.13650	0.1
61.98827	100.0
62.98528	0.2
63.04010	0.0
69.76465	0.1
70.03233	0.1
70.03649	0.1
71.12305	0.0
78.95921	0.1
111.32468	0.0
132.09099	0.0
132.48994	0.1
134.89487	0.1
136.89195	0.1
171.10332	0.1
201.54482	0.0
209.11789	0.1
295.22528	0.1
384.28210	0.1
493.18140	0.1
717.35876	0.1
802.49518	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	802.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.45563	0.3
69.45990	0.4
73.40073	0.1
74.54203	0.1
78.95913	0.2
82.55458	0.1
84.70779	0.1
90.27795	0.1
105.19519	0.1
117.34103	0.1
127.86902	0.1
152.90479	0.1
152.99580	0.1
279.23184	0.1
471.35309	0.1
632.92419	0.1
707.06897	0.1
803.46033	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	802.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
61.98826	100.0
62.98522	0.2
69.41534	0.3
71.01385	0.1
75.32710	0.0
78.95918	0.2
83.05058	0.0
109.06503	0.0
125.02477	0.1
134.32033	0.0
152.99562	0.0
171.10345	0.1
176.84944	0.0
184.66760	0.0
193.71335	0.0
195.13904	0.1
196.67638	0.0
209.11836	0.3
293.21219	0.2
329.23148	0.0
399.01416	0.0
533.99042	0.0
622.40015	0.0
625.21069	0.0
674.40796	0.0
728.41864	0.1
802.48816	0.1
803.49475	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	801.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01380	2.7
60.99292	0.7
67.01898	2.3
69.03451	0.7
71.01386	2.6
71.63142	0.3
72.35531	0.2
72.99310	0.3
73.02951	0.7
80.51957	0.2
81.03471	0.7
83.01373	0.4
83.05025	1.0
85.02953	3.6
87.00884	2.7
89.02455	1.3
93.03467	18.0
94.03795	0.4
99.00883	0.3
99.04546	0.4
101.02474	1.3
109.02959	1.1
111.04534	4.6
113.02418	1.1
117.03485	0.5
119.05040	51.6
120.05375	2.6
121.03020	0.2
125.02462	0.6
127.04008	1.2
129.01939	0.6
133.02933	0.4
134.06125	0.3
135.04549	0.7
137.02464	5.6
138.02766	0.3
145.02965	1.0
155.03523	3.4
157.08765	0.4
161.02481	0.7
163.04027	100.0
164.04375	5.2
168.46240	0.2
171.03018	0.3
173.04568	25.7
174.04886	1.1
175.09714	0.2
179.03464	1.6
181.07320	0.2
187.89316	0.2
189.05568	0.4
191.05632	67.2
192.05936	2.7
209.04572	0.4
239.05617	1.0
257.96854	0.2
311.07739	0.6
327.08871	0.3
337.09280	69.7
337.14938	3.3
338.09622	7.2
351.07492	0.4
403.12521	0.5
463.14490	6.4
464.14981	1.1
577.20416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	1.5
58.00581	1.7
59.01377	32.8
61.98828	100.0
62.38404	0.9
62.98516	1.3
65.00331	1.2
71.01382	23.4
72.99284	2.8
73.02927	1.6
78.24728	1.0
78.95884	2.7
81.03461	1.2
83.01382	4.0
83.05018	1.4
83.29364	1.0
85.02953	6.6
87.00871	2.2
88.98792	1.3
89.01920	1.2
89.02448	14.4
93.03427	1.6
95.01391	2.2
96.96029	5.4
97.02940	2.1
98.20723	2.3
99.00877	1.2
101.02448	11.9
106.06611	4.6
107.01376	1.6
109.02931	1.9
109.06529	1.4
113.02454	7.5
115.00332	1.1
116.92840	3.8
119.03559	5.0
119.04993	4.3
122.03671	1.0
122.06076	3.0
123.04499	3.1
125.02451	9.1
126.90360	1.2
134.06137	35.6
135.04475	3.2
135.06445	1.7
137.02480	5.2
145.02959	1.7
149.02399	1.4
150.03175	1.3
151.00378	6.1
151.03955	3.0
152.07149	5.9
154.80780	1.1
157.08708	1.1
159.04491	1.1
161.02423	2.8
161.04497	1.1
163.03967	2.2
164.01111	1.1
165.01875	2.6
171.10262	1.6
183.13895	1.2
197.11752	3.3
207.10156	2.3
209.11827	17.9
211.13385	14.2
229.44353	1.2
233.15271	1.6
235.08234	1.3
253.09209	1.7
265.39368	0.9
271.06091	7.9
282.39395	1.0
287.05469	3.1
289.07111	3.1
326.86151	1.0
340.10681	1.1
341.11246	1.1
341.23352	1.5
342.12241	1.1
344.13538	1.2
352.10837	1.7
354.12201	4.4
355.12994	1.5
356.13950	1.8
357.14673	2.1
366.12262	1.8
367.09500	3.0
368.09958	1.7
368.13934	4.4
370.15683	6.3
371.16214	1.3
372.17090	1.3
379.12323	2.4
382.11734	5.2
382.16010	1.4
383.12509	6.5
394.11954	1.8
395.12463	1.5
396.13330	2.6
397.13638	7.0
398.15079	32.2
399.15427	5.2
410.15027	12.7
411.15244	2.4
414.67764	1.1
415.14938	1.1
430.18030	1.1
434.16870	1.1
461.28729	1.2
503.20273	1.6
504.21094	3.1
517.22040	1.6
545.21417	2.8
546.22699	1.1
684.28052	1.6
697.28778	2.2
725.28412	61.1
726.17303	1.6
726.28809	15.5
757.17993	1.6
757.31067	20.4
758.31702	6.5
769.27490	14.5
770.27753	4.7
783.39142	4.9
784.37891	1.4
801.29669	40.4
802.29761	14.5
817.79230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
58.00581	0.9
59.01375	12.8
65.03310	0.3
69.03458	1.0
71.01384	41.7
71.58394	0.5
72.01736	0.8
72.99309	1.5
73.02951	16.6
75.00865	0.8
83.01392	8.1
84.01669	0.3
85.02956	20.7
86.00101	0.4
86.03276	0.4
87.00884	1.8
89.02451	2.7
93.03459	0.4
95.01388	3.4
97.02970	1.2
99.00887	6.8
101.02454	32.7
102.02817	0.7
107.05041	1.1
111.00887	0.5
113.02456	16.1
114.02791	0.5
117.03487	1.5
119.03442	0.3
119.05045	1.4
125.02457	1.2
129.01952	1.0
131.03429	0.4
135.04543	0.6
137.02521	0.3
143.03522	1.7
145.02966	5.8
146.03284	0.6
151.04036	1.0
159.03004	3.8
161.04575	19.8
162.04840	0.6
163.03993	1.8
178.91791	0.3
191.05605	1.4
205.03529	1.2
227.88155	0.4
262.43832	0.4
269.10275	14.9
270.10559	1.0
307.08234	0.3
312.83203	0.3
313.09271	100.0
314.09613	9.0
375.07629	0.4
487.14478	3.7
488.14648	0.6
547.31848	0.3
608.16968	0.4
762.97961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25208	0.1
57.03460	0.1
59.01371	0.2
61.98828	100.0
62.98525	0.1
62.99271	0.1
71.01387	0.2
78.95921	0.1
85.02962	0.1
98.20605	0.1
99.00881	0.1
108.27828	0.1
113.02485	0.1
116.92888	0.1
123.04522	0.1
125.02488	0.3
125.86938	0.1
137.02466	0.1
171.10368	0.1
197.11800	0.1
207.10413	0.1
209.11888	0.3
210.12157	0.1
211.13452	0.2
223.13579	0.1
225.11302	0.1
227.13033	0.1
253.09464	0.1
289.07217	0.1
291.19766	0.2
293.21207	0.2
294.21490	0.1
307.19244	0.1
309.21033	0.1
320.80017	0.1
515.21869	0.1
616.38324	0.1
682.91119	0.1
751.39771	0.1
800.47717	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
61.98828	100.0
62.87896	0.1
62.98537	0.2
68.78675	0.1
71.01384	0.3
71.34071	0.2
76.46054	0.1
78.95930	0.4
116.92861	0.1
125.02464	0.4
137.02444	0.2
151.03979	0.3
152.99628	0.2
171.10378	0.2
183.13927	0.1
197.11891	0.4
199.13506	0.1
209.11807	0.7
210.12128	0.2
211.13445	0.7
212.13777	0.3
223.13425	0.2
224.13802	0.2
232.23788	0.1
253.09317	0.2
256.55908	0.1
277.21594	0.2
289.06946	0.2
293.21225	1.0
294.21634	0.3
309.20700	0.3
310.21228	0.1
374.83728	0.1
394.83722	0.1
726.43390	0.2
800.47510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98829	100.0
62.98527	0.1
70.57758	0.1
70.58118	0.1
71.01379	0.1
78.95914	0.1
83.01440	0.1
87.00928	0.1
88.98838	0.1
89.02451	0.1
93.03474	0.1
96.96060	0.1
97.45269	0.1
101.02467	0.1
101.06114	0.1
107.01430	0.1
108.02164	0.1
109.02977	0.2
116.92872	0.2
119.05058	0.3
121.02986	0.1
125.02470	0.3
135.04575	0.1
137.02478	0.4
145.02936	0.1
151.00357	0.4
151.04022	0.1
161.02437	0.1
165.01952	0.1
183.14024	0.1
206.23526	0.1
209.11887	0.2
210.12315	0.1
215.03429	0.1
215.07350	0.1
227.12915	0.1
271.06067	0.6
272.06223	0.1
285.04102	0.1
287.05695	0.2
289.07135	0.2
783.39264	0.1
801.34723	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	799.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79184	0.7
58.98867	0.7
59.01375	2.3
60.23093	0.6
61.98830	8.9
70.80362	1.5
71.01379	3.1
73.02975	1.0
75.00878	1.3
77.87204	0.6
78.95907	67.4
79.95740	1.4
80.96524	8.1
81.03483	1.0
83.05049	3.1
84.02174	1.0
94.98087	1.4
95.05061	0.9
96.96973	15.1
97.02969	1.0
99.34231	0.6
101.02482	0.8
103.21998	0.7
108.38274	0.7
108.54727	0.7
125.09691	3.5
127.11308	4.2
134.97585	1.0
134.98561	1.5
137.09708	0.9
152.99626	16.6
155.10777	2.2
163.11272	3.6
164.98624	1.3
165.09212	2.1
165.12793	1.8
171.10257	3.1
178.18484	0.7
183.10274	1.0
191.10785	1.0
199.09752	1.2
201.11325	56.9
202.11600	3.6
207.10257	2.1
209.11839	43.0
210.12239	3.1
211.13412	1.1
223.00186	3.8
225.00795	3.1
225.11395	1.8
226.40904	0.7
227.12875	2.9
241.01189	32.3
242.01497	1.7
245.14053	0.9
255.23282	36.5
256.23657	3.4
259.02197	2.0
273.46481	0.7
277.21579	4.8
278.22113	0.9
297.03824	1.1
315.04633	0.8
537.49994	0.8
543.17725	0.9
648.47693	0.7
709.38989	2.0
710.39795	0.8
755.39899	0.9
781.41461	6.4
782.42041	1.6
799.42639	100.0
800.42914	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	799.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	0.6
59.01380	1.5
61.98827	9.0
70.41518	1.6
71.01379	2.7
73.02924	0.6
75.00916	0.7
78.95905	65.5
78.98578	0.5
79.95757	1.1
80.02689	0.6
80.96522	5.1
81.03467	1.2
83.01416	0.6
83.05042	3.1
84.02200	0.5
94.98096	1.6
96.96968	16.5
109.06615	0.7
118.22501	0.4
125.09734	2.7
127.11335	4.2
134.97556	0.7
134.98538	0.6
137.09732	0.7
152.98390	1.0
152.99606	15.3
155.10780	1.6
163.11282	2.5
164.98608	1.3
165.09195	2.0
165.12840	1.9
171.10249	2.4
181.12363	0.5
183.10327	1.0
199.09726	1.3
199.13373	0.8
201.11324	53.2
201.72621	0.5
202.11694	3.3
206.99724	0.5
207.10243	1.9
209.11827	43.6
210.12189	3.6
211.13495	0.5
223.00134	4.0
225.00703	1.9
225.11411	1.1
227.12828	3.4
241.01176	33.9
242.01530	1.0
245.13843	1.0
255.23273	35.3
256.23669	3.8
259.02219	2.0
277.21606	3.3
279.11197	0.6
291.19739	1.2
293.21313	1.0
297.03824	1.1
315.04819	1.7
337.10535	0.5
381.13361	0.9
391.22226	0.9
428.44815	0.5
543.17340	0.8
553.27826	0.9
656.47321	0.5
683.95807	0.6
709.38898	2.3
755.40106	0.9
781.41425	5.3
782.41675	1.3
799.42609	100.0
800.42975	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	799.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	0.4
59.01377	6.7
60.82110	0.2
61.81535	0.2
69.34381	1.5
69.34803	0.6
71.01382	4.8
72.99306	0.4
73.02963	0.6
75.00870	0.2
77.22470	0.2
83.01408	0.4
85.02954	1.3
87.00883	0.5
87.31094	0.2
89.02451	4.4
95.01362	0.3
98.20637	0.5
101.02443	4.0
105.03478	0.3
109.02991	0.3
113.02467	1.7
117.03483	1.6
119.03529	2.0
119.05006	1.6
125.02460	0.3
131.03522	0.3
131.07169	0.6
132.02193	0.6
133.02971	22.4
134.03329	0.9
135.04543	13.3
135.05363	0.2
136.04863	0.6
137.02452	0.4
141.90575	0.2
143.03491	0.4
145.02992	1.1
149.06114	0.3
161.02460	96.2
162.02805	5.1
163.04041	2.3
163.06120	0.5
165.04097	1.2
165.05374	0.2
177.05573	1.3
179.03508	12.2
180.03821	0.8
181.07172	2.3
191.05630	2.1
211.07634	0.7
221.04532	1.7
237.00732	0.3
242.25731	0.2
251.05615	1.5
281.06589	2.7
281.63351	0.2
293.12494	1.5
294.12729	0.3
311.07770	0.7
323.07690	0.3
323.13510	1.6
341.11026	0.5
343.12360	0.8
353.08694	0.4
475.14648	2.2
487.14606	0.6
505.15598	100.0
506.15936	13.6
506.21625	0.3
660.78534	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
58.00591	1.2
59.01377	27.0
60.90565	0.5
61.98803	1.0
67.01894	1.2
68.99809	2.0
69.03448	2.0
71.01384	29.5
71.61536	0.6
71.61929	0.5
72.01712	0.7
72.99313	8.5
73.02953	5.1
74.02451	0.7
75.00876	14.4
81.03439	1.2
83.01376	2.8
83.05039	0.5
85.02956	22.6
86.03279	0.8
87.00885	9.1
87.04512	0.6
88.98811	0.6
89.02445	13.0
90.98604	0.8
91.04013	0.5
93.03465	4.6
95.01398	4.4
97.02937	1.3
99.00887	10.7
99.04529	0.6
100.01208	0.7
101.02455	11.4
103.00373	1.2
107.05083	1.0
108.02170	5.1
109.02984	3.9
110.89744	0.5
111.00893	2.5
111.04520	0.8
113.02456	21.9
114.02822	0.5
115.00375	2.0
115.07632	1.4
116.03580	0.5
117.01936	1.9
117.03481	0.6
117.05584	1.8
119.03494	3.5
119.04999	2.2
120.05843	0.9
121.02969	1.6
123.04535	1.1
123.08149	0.5
125.02482	2.9
129.01970	3.2
131.03513	1.2
133.02962	0.6
133.10234	0.8
135.03029	0.7
135.04509	1.1
135.11810	5.9
137.02443	2.8
139.00381	0.6
143.03494	0.9
143.08696	1.0
145.02980	2.5
145.05009	0.5
147.04475	0.6
149.04585	0.9
151.00398	1.0
151.03978	2.3
152.01167	6.1
153.01987	3.1
153.89026	0.5
155.10765	1.7
157.01443	0.9
159.06911	0.5
159.08145	2.0
161.02446	1.3
161.04576	1.4
161.09729	8.9
162.10133	0.7
163.04048	2.6
163.06104	1.7
165.02051	0.7
165.05542	3.0
173.04550	1.7
175.02451	2.1
175.03854	0.7
177.04037	0.6
179.03520	0.7
179.05647	1.1
179.10800	18.5
180.11069	1.3
180.12535	0.5
181.07220	4.7
181.12408	0.9
191.05614	5.5
193.05064	0.6
195.05096	1.1
205.07034	0.6
211.07632	3.3
223.09766	1.2
231.05090	1.2
243.03073	0.5
245.04742	0.5
245.09253	1.9
249.06137	10.5
249.13449	1.0
250.06425	1.0
267.07196	5.0
283.02393	0.6
289.07364	0.7
315.07278	5.0
343.12454	2.3
365.14478	1.5
373.07629	0.6
413.14209	2.9
429.17212	0.5
435.09048	1.5
437.08737	0.6
455.15549	1.0
473.16592	1.9
475.18250	1.2
507.99542	0.5
549.22211	0.7
554.35168	0.5
625.15729	3.3
766.20514	0.5
781.27802	1.0
785.32159	0.5
799.29071	100.0
800.29401	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	797.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01376	7.1
61.98829	9.9
63.47183	0.5
71.01385	3.6
71.59074	0.9
73.02962	0.7
77.34942	0.6
78.95897	2.2
79.80780	0.5
80.02655	0.8
80.71503	0.6
81.03442	1.0
83.01406	0.6
83.05032	3.4
85.02953	1.2
87.00893	0.8
89.02456	2.6
93.03422	0.7
95.05038	0.7
97.06601	0.5
101.02444	3.1
101.31290	0.6
109.06603	1.3
111.08176	9.0
113.02459	1.3
125.02446	1.1
131.12047	0.6
135.08206	1.0
137.09782	0.8
151.04080	0.7
161.04591	1.1
163.11322	2.9
165.12852	1.7
167.10818	2.7
171.10312	0.8
177.12897	1.5
179.10788	2.0
181.12395	1.0
191.10718	0.9
192.62968	0.6
193.12265	0.6
195.13879	5.7
197.11909	3.0
207.10251	1.7
209.11830	71.1
210.12161	5.9
211.13374	0.7
223.13354	1.2
225.11330	1.3
227.12866	14.5
228.13254	0.6
235.08249	3.0
238.63791	0.6
247.20596	1.6
253.09276	8.1
273.18549	0.8
276.92218	0.7
291.19644	100.0
292.20047	10.6
293.21255	3.2
309.20755	1.4
445.20688	1.6
509.27554	1.2
527.28644	11.5
528.28693	1.6
719.40405	1.6
737.41620	1.3
797.44122	0.6
798.46271	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	798.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	0.1
61.98827	100.0
62.98518	0.2
70.94603	0.1
70.94981	0.0
76.01281	0.0
78.95940	0.1
171.10413	0.1
201.11128	0.1
211.13364	0.1
212.02422	0.0
223.13428	0.1
224.13721	0.1
252.18202	0.0
277.21744	0.1
291.19751	0.1
293.21341	0.1
294.21625	0.1
717.05273	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01379	9.0
60.99303	1.1
61.19154	0.4
64.06637	0.3
67.01889	5.3
69.03452	1.0
71.01379	5.1
71.56681	0.6
72.99309	0.5
73.02953	0.6
78.60883	0.4
81.03463	1.4
83.01395	0.5
83.05032	1.3
85.02953	5.0
87.00881	4.5
89.02451	1.2
93.03463	34.2
94.03798	1.1
99.00896	0.5
99.04549	0.6
101.02435	2.1
109.02966	1.5
111.00864	0.7
111.04536	6.5
113.02464	1.3
117.03468	1.6
119.05041	20.0
120.05357	0.7
121.02993	1.1
125.02456	0.4
127.04006	1.6
133.02946	2.1
135.04550	1.7
137.02464	3.4
145.02969	9.5
151.06111	0.5
155.03487	3.9
156.89490	0.3
161.02461	10.4
161.04549	0.5
161.06020	0.5
162.02757	0.7
163.04022	19.4
164.04352	1.1
171.02893	0.5
173.04558	100.0
174.04852	4.0
179.03496	1.2
179.11115	0.3
191.05621	84.9
192.05954	3.6
205.05096	0.9
211.07635	1.1
235.11891	1.4
265.06967	0.5
277.12827	0.6
323.09894	0.5
337.09274	66.7
338.09650	5.9
459.15051	29.2
460.15329	4.1
797.25580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01372	3.5
60.99305	1.2
67.01891	6.0
69.03449	1.4
69.64508	1.9
71.01380	5.3
72.99306	0.3
73.02951	0.5
81.03464	0.9
83.01427	0.4
83.05038	1.2
85.02958	5.4
87.00886	4.2
89.02447	1.1
93.03468	34.6
94.03792	1.5
95.01372	0.4
99.00887	0.5
99.04502	0.5
101.02465	1.2
108.58440	0.3
109.02991	1.1
111.00881	0.7
111.04535	6.1
111.10337	0.2
113.02459	1.2
115.04018	0.5
117.03477	1.9
119.05044	20.8
120.05360	1.0
121.02985	0.8
127.04050	1.4
129.01924	0.3
133.02968	2.0
134.03784	0.4
135.04494	0.8
137.02461	3.7
143.03442	0.4
145.02975	9.9
146.03378	0.3
151.06087	0.5
153.01970	0.3
155.03523	4.2
156.89500	0.3
161.02463	9.0
161.04533	0.4
161.06056	0.4
162.02837	0.6
163.04027	20.1
164.04388	1.2
173.04568	100.0
174.04919	4.4
179.03560	1.0
179.05569	0.4
191.05626	83.2
192.05972	3.3
193.04997	0.4
205.05075	0.7
211.07635	0.7
228.41324	0.2
265.07123	0.3
274.88541	0.3
277.91928	0.2
278.14017	0.3
313.11389	0.7
337.09290	66.9
338.09610	7.3
395.15747	0.3
459.15073	24.9
460.15610	3.2
797.25256	0.8
827.08887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.1
61.98827	100.0
62.98527	0.2
63.51366	0.1
69.03451	0.1
71.01388	0.1
74.50263	0.1
78.95921	0.2
89.58402	0.1
96.01682	0.1
111.03377	0.1
116.92871	0.2
131.95966	0.1
152.99541	0.1
153.01981	0.1
162.49614	0.1
209.11884	0.6
210.12222	0.2
223.13289	0.1
224.13806	0.1
227.12866	0.1
253.09238	0.1
254.79248	0.1
255.23209	0.1
277.21768	0.6
278.22141	0.2
291.19705	0.2
292.20203	0.1
384.32062	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	796.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.6
61.98831	32.3
66.48985	0.8
69.53494	2.4
69.53918	4.1
71.01386	2.5
75.00885	1.4
78.95909	69.9
80.02688	1.5
80.96525	3.2
81.03460	3.8
83.01398	6.9
83.05035	6.1
84.02186	2.4
94.98076	0.8
95.05042	1.4
96.96973	9.5
97.02946	1.3
97.06574	1.0
98.19913	1.6
109.06612	4.1
122.98563	1.2
125.00110	4.8
125.06018	1.0
125.09754	4.6
134.98531	1.4
135.08192	1.8
147.11888	0.8
148.78458	0.8
152.99594	13.5
163.11290	9.7
165.12849	3.9
168.04297	6.7
171.10272	2.2
171.21320	0.9
181.12317	2.1
191.10802	6.4
194.06134	0.8
197.11836	1.7
199.09737	1.7
203.01123	0.9
204.42593	0.9
207.10229	8.1
209.11835	78.7
210.12140	6.6
215.12944	0.9
223.00172	2.0
223.13396	10.1
224.06940	5.6
225.00668	0.9
225.11313	7.2
226.12096	6.6
227.12889	8.7
241.01201	16.2
241.14441	54.2
242.14725	3.5
243.12436	0.9
255.23283	100.0
256.23550	8.3
259.02271	1.3
297.03732	2.4
391.22433	2.6
419.25806	2.4
451.24545	1.1
462.29886	1.3
480.31091	5.0
496.12149	1.0
553.27673	1.4
583.20947	0.9
619.36346	9.0
620.36993	1.2
645.38055	5.3
646.38110	1.1
665.46356	0.9
690.43701	5.9
704.45227	60.3
705.45563	17.7
722.46307	41.1
723.46875	9.7
733.43872	1.1
779.40033	14.3
781.90857	0.9
796.40881	2.1
797.40936	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	795.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
59.01373	4.7
61.98832	4.3
65.03968	0.5
65.46498	0.5
68.31197	0.6
69.03458	5.0
71.01388	3.5
71.56918	0.8
72.99319	0.7
73.02951	1.7
75.00877	1.8
80.85039	0.5
81.03471	1.8
83.01381	2.8
85.02969	2.4
87.00873	1.4
87.04539	2.1
89.02451	1.3
93.03468	52.5
94.03819	1.7
95.01405	4.7
95.05006	0.6
96.96028	1.6
97.02950	5.4
99.00872	0.8
99.04498	0.6
101.02471	2.8
107.01421	2.2
108.02188	8.0
109.02977	4.8
111.00895	2.4
113.02473	1.6
116.92835	1.4
117.03503	0.8
119.03532	0.6
119.05041	1.2
121.02991	1.9
123.00893	18.0
123.04505	1.7
124.01682	32.1
125.02468	51.1
126.02812	2.1
133.02965	0.6
135.00896	0.7
135.04541	1.2
136.01671	1.0
137.02463	33.0
137.06126	0.6
137.09750	2.1
138.02809	1.6
139.04033	1.4
145.02927	1.8
149.00609	0.6
149.02415	1.7
149.99599	45.2
151.00381	7.9
151.03999	1.7
152.01196	6.1
153.01974	4.9
155.10799	11.4
156.11162	0.8
161.02443	1.3
161.04611	0.6
163.00444	0.6
163.03999	0.8
164.01138	0.7
165.01967	3.3
166.99930	0.6
167.03500	5.1
168.00659	81.0
169.01439	16.5
171.08162	1.6
173.06081	0.8
174.03142	0.7
175.07736	0.7
177.02025	0.8
177.04022	0.7
179.03529	3.3
179.10812	1.5
181.08679	1.0
189.05756	0.6
191.03551	1.0
191.05615	1.1
191.10762	0.6
195.08160	1.1
197.09837	1.0
199.09727	5.0
205.88623	0.7
211.02472	1.1
211.07625	0.5
213.05635	0.8
213.11391	0.8
217.08597	0.9
227.03593	0.6
229.08791	1.1
239.10765	1.7
241.08615	0.8
241.10846	0.8
243.03067	0.8
245.04527	2.3
259.06149	2.1
260.06332	0.6
271.06229	0.7
283.09409	2.6
287.05588	1.9
289.06995	1.8
313.05582	1.8
367.11899	3.4
383.11859	1.1
385.12778	2.9
425.12927	0.8
495.15451	0.8
513.15985	1.9
657.20343	3.8
751.24860	1.8
795.23712	100.0
796.24084	24.0
796.38977	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.2
59.01375	0.8
59.51477	0.1
60.99307	15.5
61.98513	0.2
61.98829	4.1
63.15068	0.1
69.03468	0.1
69.34377	0.1
71.01389	1.7
71.05034	0.1
71.65391	0.1
72.99295	0.3
73.02982	0.2
75.00894	0.3
78.95943	0.1
81.03455	0.1
82.02663	0.1
83.01363	0.2
83.05011	0.1
85.02959	0.4
87.00889	0.8
88.00423	1.1
88.98815	100.0
89.02448	3.4
89.99140	1.0
93.03484	0.6
94.02397	0.1
96.96037	0.2
97.02974	0.2
101.02457	0.4
105.01929	0.2
107.01459	0.2
108.02198	0.2
109.02972	0.4
113.02477	0.3
116.92877	0.5
117.03463	0.2
119.05040	0.3
121.02927	0.2
123.00911	0.2
123.04529	0.4
124.01693	0.4
125.02450	1.6
133.02972	0.2
135.04564	0.3
137.02502	0.9
145.02977	0.3
149.99562	0.4
151.00400	0.7
151.04033	0.4
152.01205	0.2
153.01996	0.2
153.21495	0.1
158.43613	0.1
161.02455	0.4
163.04013	0.2
163.11383	0.2
164.01115	0.2
165.01950	0.2
165.05685	0.2
168.00731	0.7
171.10292	0.7
175.03920	0.1
177.01971	0.2
201.11357	0.3
205.05061	0.1
207.10233	0.2
209.11841	1.8
210.12146	0.3
225.11469	0.2
227.12846	0.3
245.08255	0.2
271.06143	0.6
287.05527	0.4
289.07236	0.6
331.78140	0.1
367.78687	0.2
397.13531	0.2
479.76221	0.1
795.38434	1.5
796.37994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.2
61.98826	2.3
71.01396	0.1
71.59261	0.1
71.59640	0.1
73.02948	3.0
75.00874	0.2
78.95896	0.2
99.00873	0.6
99.92590	9.3
100.92615	0.6
100.93168	0.1
114.93446	0.4
116.03533	0.1
116.92868	100.0
117.01943	4.9
117.05657	0.1
117.92875	6.1
118.02271	0.1
125.02466	0.2
131.91592	0.1
214.43112	0.1
250.71098	0.1
293.21204	0.1
719.61053	0.1
793.39594	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	793.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28390	0.4
57.03442	0.8
59.01377	0.7
61.86647	0.3
61.98831	12.1
71.01381	8.1
71.60992	0.5
75.00887	0.8
78.95917	1.0
88.98795	0.8
99.62917	0.4
101.02444	0.4
116.92886	1.1
119.04974	0.4
123.04507	1.1
125.00990	0.4
125.02454	2.8
126.02872	0.5
127.07689	1.3
127.75945	0.4
129.41682	0.4
137.02455	0.9
138.98137	0.4
148.05280	0.6
151.04044	0.7
151.07657	0.8
164.08485	0.6
165.01929	0.6
167.03540	0.5
177.09225	2.9
178.09441	0.4
192.11555	6.7
193.12083	0.6
205.12323	3.4
207.13934	2.1
209.11803	1.2
215.98032	0.5
217.08755	0.4
218.09454	1.8
220.11525	0.6
220.14679	38.6
221.15456	100.0
222.15791	7.7
235.13409	2.3
236.10521	87.6
237.10875	5.9
238.95459	0.4
242.63942	0.4
253.09518	0.4
253.14430	0.5
257.12366	0.5
289.07187	1.4
293.17566	76.1
294.17905	7.5
309.20584	0.5
327.21689	0.5
499.30576	1.5
500.31039	0.5
559.32874	2.0
793.39954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
61.98521	0.9
61.98831	13.4
69.03447	2.2
69.79906	4.4
71.01387	0.7
76.34014	0.6
78.95907	56.1
80.96513	1.6
82.30105	0.7
85.02957	8.4
86.50004	0.7
88.85178	0.7
94.98060	0.7
95.05030	0.9
96.96971	5.4
97.02921	1.0
97.06606	2.6
99.92613	0.8
115.76147	0.7
115.92090	1.6
116.92839	2.0
125.09763	1.1
127.11293	1.0
137.09724	2.4
150.98055	1.1
152.99602	57.4
153.99937	0.8
165.12746	0.7
171.00664	7.9
171.10283	32.1
172.10616	1.6
179.89227	2.4
180.89919	0.9
181.12431	0.8
183.13931	3.2
193.12302	1.4
196.89479	2.8
201.11272	0.9
209.11823	1.6
211.13420	14.4
212.13701	1.6
221.11858	2.3
227.03281	5.7
229.14452	9.9
236.92424	0.9
239.12877	1.8
245.04276	2.0
253.21725	10.7
255.23254	2.6
291.19583	2.6
309.20813	0.9
310.48865	0.7
327.21753	35.2
328.22168	3.5
463.20947	6.1
537.24585	4.4
555.25787	49.0
556.26233	8.6
791.31091	4.9
791.47363	100.0
792.32300	1.3
792.47638	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.3
59.01373	1.4
59.21371	0.4
61.98821	5.3
67.33759	0.4
71.01378	1.1
71.59323	0.4
72.99330	0.5
78.95901	1.1
85.02940	0.8
87.04520	1.6
97.02994	0.5
108.33633	0.4
109.06598	0.4
123.04565	0.8
125.02453	2.0
129.86353	0.4
145.02945	0.6
151.03983	0.7
152.99507	0.5
155.85622	0.4
161.02391	0.5
167.03493	0.6
168.19792	0.3
171.10255	0.6
187.03969	0.4
195.13969	1.9
196.89552	0.5
196.91486	0.3
207.10260	0.9
209.11798	0.7
223.13362	1.7
225.11256	0.6
256.13269	0.5
275.20129	1.4
286.00681	0.4
289.07095	0.4
291.19711	1.1
293.21201	38.8
294.21539	4.2
307.23975	0.4
326.32278	0.4
365.28879	0.6
388.60776	0.4
393.27771	0.5
395.29855	0.4
405.28287	0.5
423.29050	3.0
453.29874	0.6
463.97867	0.4
467.28165	0.8
497.29056	100.0
498.29428	18.3
629.72076	0.4
785.18921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
55.99439	0.2
57.03450	2.0
58.00602	0.3
58.45602	0.3
59.01382	2.3
61.98827	5.0
63.02400	3.0
65.00325	10.3
66.00659	0.3
66.62946	0.3
68.99812	0.3
69.03451	1.4
71.01385	4.4
72.99315	0.7
73.02959	0.9
75.00871	7.5
78.95935	0.2
81.03447	0.4
83.01386	7.5
84.02194	0.3
85.02952	3.1
87.00878	2.2
87.04507	1.7
88.98810	1.0
89.02454	1.1
93.03465	5.6
95.01382	0.4
96.96047	0.3
97.02977	1.9
97.06653	0.3
99.00884	1.0
101.02451	1.5
107.01397	17.6
107.05069	0.4
108.01672	0.4
108.99341	0.4
109.02971	1.0
111.00928	0.5
113.02470	0.5
116.92877	1.3
117.02023	0.2
117.03493	0.8
119.05041	38.7
120.05371	1.9
121.03002	0.6
123.04540	0.8
125.02457	6.2
129.01955	2.2
131.50581	0.3
134.03720	0.3
135.04521	0.4
137.02477	1.6
137.09744	2.1
137.72748	0.3
141.01955	1.4
143.05031	1.5
145.02966	3.8
149.02417	0.4
151.00386	75.0
152.00740	2.9
155.10805	8.7
156.11159	0.4
157.06467	0.3
159.03079	0.5
161.02406	0.4
161.06068	1.7
163.03929	0.3
165.01938	2.9
166.02307	0.3
167.03551	0.5
169.01460	2.7
169.12393	0.4
171.10298	0.4
173.04617	0.3
175.00317	0.4
177.01958	5.4
177.04060	9.8
178.02483	0.2
178.04375	0.4
179.03618	0.6
181.08728	0.9
185.06110	2.4
185.11865	0.2
187.04005	2.9
191.10680	0.3
193.01382	0.3
199.07950	0.5
199.09764	6.5
200.10106	0.4
201.11433	0.4
203.07014	0.7
207.10219	0.6
209.11839	1.1
213.11363	1.0
225.11382	0.6
227.07155	4.1
227.12936	0.4
228.07249	0.3
229.05057	0.6
241.10751	2.1
271.06094	100.0
272.06412	9.1
283.11823	0.9
287.05508	0.6
289.07132	0.6
313.07251	0.5
341.12424	2.8
343.13962	1.0
355.19620	0.3
359.13449	8.7
360.13895	0.7
377.14511	0.9
401.14557	0.9
406.74478	0.3
414.42316	0.3
485.16785	0.9
486.17203	0.3
503.17749	1.1
511.19165	0.4
521.18671	10.6
522.18951	1.6
615.20490	0.8
775.24713	0.5
793.25781	40.2
794.26068	10.9
794.41046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01364	0.9
61.98838	4.4
69.03436	1.3
71.78336	0.5
72.99701	0.5
78.95905	55.9
80.96505	2.7
83.04990	0.8
85.02953	7.7
87.61418	0.6
94.98074	0.7
96.96970	5.2
97.02979	0.9
97.06581	3.4
98.20766	1.2
115.92078	1.5
116.92844	1.9
123.08164	0.8
123.61857	0.7
125.09737	1.5
127.11314	1.4
134.98474	0.9
137.09703	2.2
152.66200	0.6
152.99606	64.7
153.99898	0.7
155.10753	1.1
163.11455	0.8
165.12820	1.4
171.00685	6.8
171.08784	1.3
171.10284	28.1
172.10582	1.1
179.89211	1.5
180.89978	0.9
183.13928	3.9
185.11833	1.4
193.12228	0.6
196.89433	2.0
197.11812	0.8
201.11371	1.3
209.11768	1.8
211.13391	18.0
212.13748	1.0
221.11839	2.3
226.52959	0.6
227.03302	4.2
229.12283	1.4
229.14432	14.6
230.14787	1.0
239.12843	2.1
245.04207	1.9
247.20515	0.7
253.21718	11.7
254.21950	0.8
255.23277	1.8
291.19644	3.9
309.20740	1.2
327.21759	37.0
328.22098	3.7
406.14273	0.9
463.20914	5.0
537.24744	3.4
555.25732	45.9
556.26001	6.6
791.47327	100.0
792.32611	1.3
792.47693	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.2
61.98829	100.0
69.77625	7.1
69.78041	17.1
71.01385	12.9
78.95911	11.8
79.24133	3.4
79.97282	3.1
81.08292	3.3
83.05061	4.8
83.35977	3.6
87.00866	3.6
88.98808	5.9
89.02470	3.8
91.95025	3.9
96.96048	4.8
101.02457	3.6
105.13818	3.8
113.02521	4.8
116.92887	20.0
121.84219	3.7
125.02451	12.0
151.03877	3.6
171.10234	9.2
175.91035	3.6
197.11847	16.3
209.11856	87.5
210.12216	8.3
211.13354	8.0
225.11319	4.0
227.12933	27.5
235.08148	5.2
253.09227	23.2
291.19684	18.3
309.20712	67.1
310.21115	8.7
445.20923	6.9
487.34235	12.3
545.29517	7.8
760.93756	4.4
779.25586	4.1
790.54620	3.7
791.39966	54.3
792.40350	17.3
824.85852	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	791.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.0
61.98829	100.0
64.17843	4.2
69.00476	4.4
71.64759	4.9
78.95910	21.8
80.96513	5.6
145.02882	5.9
152.99643	12.1
186.78349	4.5
195.13986	5.8
202.40955	4.5
209.11859	50.0
227.12946	8.0
253.09251	8.6
277.21713	48.4
279.19611	16.6
293.21100	10.4
791.43884	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	791.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.1
59.01373	0.6
61.98833	1.9
63.31497	0.1
65.00317	0.2
71.01381	0.5
71.38348	0.1
73.02949	2.2
75.00891	0.1
78.95918	0.1
82.17776	0.1
83.01410	0.2
83.05058	0.1
85.02962	0.3
87.00893	0.2
88.98806	0.2
89.02472	0.2
93.03469	0.2
96.96046	0.2
99.00888	0.6
99.92594	8.4
100.92614	0.6
100.93253	0.1
101.02457	0.1
107.01414	0.2
109.03012	0.1
109.06580	0.1
113.02448	0.1
114.93475	0.4
116.92876	100.0
117.01953	4.2
117.92886	6.1
118.02301	0.1
119.03453	0.1
119.05042	0.7
123.04510	0.2
125.02494	0.5
125.09723	0.1
135.04555	0.2
137.02454	0.4
137.09793	0.1
139.89821	0.1
145.02963	0.2
149.02419	0.1
150.03217	0.2
151.00374	0.6
151.03998	0.1
161.02451	0.1
163.03992	0.4
165.02008	0.2
165.05580	0.2
171.10297	0.4
177.01987	0.1
179.03369	0.1
195.06523	0.1
201.11328	0.6
209.11827	1.1
211.13515	0.1
219.72488	0.1
225.11418	0.1
227.12959	0.2
229.33992	0.1
236.39178	0.1
253.09344	0.3
271.06134	1.4
272.06430	0.1
287.05673	0.2
289.07272	0.2
327.21732	0.7
521.21741	0.2
563.30560	0.1
791.37988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.389
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.1
59.01368	0.3
61.98827	1.6
63.02391	1.9
64.17196	0.1
65.00321	5.4
67.01905	0.1
68.99828	0.1
69.25011	0.1
70.47798	0.3
71.01392	0.4
73.02941	0.1
78.72219	0.1
81.03439	0.2
83.01388	3.5
83.05023	0.1
84.01715	0.1
88.98820	0.3
89.02439	0.1
89.72272	0.1
93.03465	4.6
94.03802	0.2
96.96026	0.1
97.02982	0.2
99.00880	0.1
99.92583	0.4
101.02461	0.2
107.01397	9.8
108.01661	0.4
109.02969	0.2
109.06638	0.1
116.92867	4.6
117.01965	0.2
117.03484	0.3
117.92092	0.1
117.92883	0.2
119.05036	23.2
120.05374	1.1
121.02979	0.4
122.03796	0.1
123.00897	0.1
124.01709	0.1
124.15114	0.1
125.02457	1.4
131.01407	0.2
133.02950	0.2
135.00877	0.1
135.04561	0.1
136.01695	0.1
137.02449	0.5
143.05119	0.4
145.02968	0.9
146.03409	0.1
149.02451	0.2
151.00381	33.9
152.00706	1.2
160.23051	0.1
161.02466	0.2
161.04851	0.1
161.06073	0.6
162.06367	0.1
163.03981	0.3
163.11302	0.2
164.01178	0.2
165.01947	2.1
167.03593	0.1
169.01434	1.9
170.01894	0.1
171.10208	0.1
175.00366	1.1
177.01938	3.9
178.02266	0.3
179.03580	0.2
184.05264	0.1
185.06082	0.8
187.04007	0.9
189.01961	0.3
191.05539	0.1
193.01445	0.6
197.11925	0.1
201.11328	0.1
203.07132	0.1
207.10265	0.3
209.11865	0.7
210.12207	0.1
211.13367	0.1
225.11331	0.3
227.07170	1.3
227.12891	0.1
229.05115	0.5
253.04976	0.2
271.06079	100.0
272.06415	8.7
285.07663	0.1
289.07169	0.1
295.06122	1.4
296.06580	0.1
313.07245	0.7
357.26343	0.2
370.47714	0.1
375.27435	0.9
376.27863	0.1
417.23331	0.1
502.12277	0.1
519.31860	0.2
594.12555	0.1
689.33185	0.1
791.39075	1.9
792.39337	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
59.01360	3.7
61.98820	1.8
69.03466	1.3
69.67686	7.9
71.01376	3.4
78.95905	99.8
81.03460	1.3
83.05017	2.3
85.02947	4.8
96.96967	8.5
97.02991	2.0
97.06608	2.1
102.05990	1.0
109.06562	2.0
111.08192	1.2
123.08208	1.3
125.09749	2.6
134.98605	1.4
135.08159	2.2
137.00151	1.4
137.09630	1.4
143.10768	1.7
152.99599	100.0
153.99908	1.8
163.11398	1.4
167.10760	2.6
171.00652	17.7
171.10277	5.3
179.89085	1.6
181.12357	1.6
183.10574	1.2
185.11826	3.7
191.10886	1.3
191.14412	2.0
195.10268	1.3
197.11789	4.5
199.13387	3.1
201.11299	2.1
207.10355	1.6
209.02180	6.4
209.11841	14.3
210.12241	1.2
211.03865	1.3
211.13373	4.4
221.11832	3.6
225.11363	1.2
227.03291	9.3
227.12854	4.7
239.12816	3.4
245.04289	2.9
245.19124	3.0
253.21713	27.2
254.21996	2.9
255.23288	24.8
256.23767	3.0
263.20020	1.1
267.19604	1.2
287.16620	1.5
289.18051	9.9
305.17584	2.4
307.19180	11.1
325.20200	2.8
335.87561	1.1
353.13950	1.3
420.64310	1.1
437.15863	5.1
441.17221	1.2
443.18362	2.6
455.16702	1.3
461.19485	3.9
467.16776	2.5
483.27237	1.4
517.22217	2.1
534.21252	1.2
535.23041	53.4
536.23285	8.5
553.24072	33.8
554.24445	4.9
691.39215	1.4
703.39001	3.4
771.44653	8.3
772.45410	2.0
789.32971	2.7
789.45758	47.7
790.45856	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
56.54101	1.0
57.03446	2.7
59.01374	16.0
60.07412	1.1
61.98829	36.8
65.00323	4.0
69.03433	3.5
69.41335	10.8
71.01386	87.7
72.01751	1.6
72.99313	1.6
73.02953	3.3
78.95902	1.6
80.02667	2.3
81.03474	2.9
83.01393	6.4
83.05044	8.0
84.02158	2.2
85.02958	12.9
87.00873	2.6
87.41984	1.1
88.98818	2.2
89.02446	9.7
93.03451	5.0
95.01421	1.7
95.05033	3.8
96.96014	6.5
96.96995	2.0
97.02962	5.1
97.06608	5.6
99.00880	3.1
99.04510	1.3
99.92624	1.3
101.02446	10.7
106.15011	1.0
107.01388	5.2
109.02962	2.2
109.06602	13.4
110.03787	1.4
111.00891	1.7
111.08155	1.3
113.02468	6.4
116.92876	13.5
117.15429	1.3
119.03560	2.2
119.05042	13.1
120.05370	3.5
123.04552	3.4
125.02454	4.0
125.06009	1.1
125.09703	3.5
127.11304	3.7
135.08205	2.0
137.02477	3.6
137.09741	2.3
143.03474	1.9
145.02968	3.5
145.05074	2.2
151.00381	18.9
152.00703	2.1
155.10757	2.3
156.55403	1.2
161.02428	1.4
161.04549	4.8
163.11319	12.6
165.01909	2.0
165.12871	3.6
167.14389	1.1
171.10289	61.7
172.10649	3.0
177.01889	4.1
179.05577	1.3
181.12389	5.6
183.13887	2.6
185.11841	4.7
187.04083	1.2
189.09160	2.0
191.10800	1.7
197.11826	5.4
199.09605	1.3
199.13510	1.8
201.11339	20.9
203.03177	1.0
207.10283	33.4
208.10580	2.4
209.11832	91.7
210.12160	7.0
211.13422	15.7
215.12785	1.5
221.11804	3.5
225.11316	44.2
226.11618	2.9
227.06909	1.7
227.12897	10.2
229.14450	11.5
235.08224	12.5
239.12724	1.4
243.12303	2.8
253.09290	33.7
271.06100	51.0
272.06418	11.1
273.06656	3.6
287.05539	3.3
288.06052	1.5
289.07172	2.3
291.19583	5.5
293.01935	1.2
295.10291	1.7
307.18985	2.7
309.20721	10.0
310.21088	1.6
327.21768	100.0
328.22192	9.7
386.13748	1.2
407.19360	1.4
461.20056	9.6
545.29694	2.4
563.30695	2.5
634.04382	1.4
638.13574	1.3
753.39929	1.3
771.42047	8.2
772.42303	3.0
789.43182	6.6
790.44354	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	789.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.1
60.99264	2.7
61.98830	84.8
63.62309	2.7
65.71700	2.4
70.91188	2.3
71.01381	49.8
73.02941	3.2
78.95912	32.7
80.29077	2.1
83.01400	4.5
83.05028	3.5
85.02945	4.9
87.00893	4.7
88.98823	17.4
89.02448	6.1
92.20538	2.2
97.02944	2.7
98.19866	6.0
101.02428	7.0
107.56288	2.5
109.06604	5.7
111.08177	3.7
113.02435	3.3
114.93477	2.5
116.92870	7.6
125.09696	5.5
146.54047	3.0
149.17482	2.7
152.99580	16.0
161.04666	3.1
163.11311	6.1
171.10277	32.0
172.10594	2.9
185.11714	3.3
197.11786	7.0
201.11319	7.0
207.10278	14.1
209.11832	100.0
210.12144	6.8
211.13405	5.1
225.11327	9.0
227.12929	20.1
235.08319	4.9
245.19223	3.0
253.09355	16.3
262.49643	2.7
289.18094	21.0
290.18307	2.7
291.19626	24.9
292.20059	2.9
293.21243	4.0
307.19144	31.3
308.19504	2.8
309.20566	12.1
327.21671	6.3
445.20538	4.1
461.19617	3.4
463.21054	4.8
485.32629	3.6
703.35767	3.5
735.39612	3.4
753.40497	10.5
771.41791	3.3
789.38635	44.7
790.38806	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	789.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
58.00585	2.1
59.01135	1.9
59.01380	19.6
61.98826	27.5
66.68319	1.3
69.03465	2.8
71.01381	100.0
71.50982	2.1
73.02932	6.8
75.00832	1.6
78.95905	3.4
80.02662	2.2
81.03440	2.8
83.01369	3.2
83.05014	6.9
85.02941	4.9
87.00879	3.5
88.98804	2.6
89.02443	7.1
91.68939	1.7
95.01395	3.0
95.05033	3.0
96.96015	3.7
97.02938	4.3
97.06583	3.3
99.00878	2.1
99.92591	1.9
101.02457	12.5
103.73531	1.5
109.02940	3.3
109.06590	5.2
111.00907	1.6
111.08148	6.0
113.02457	7.3
116.92867	20.0
117.92838	2.1
119.03585	2.0
123.04531	2.5
123.08164	1.8
125.02433	4.6
125.06113	1.7
125.09703	8.8
127.11256	6.0
135.08212	2.1
137.02438	2.0
137.09747	4.0
151.03996	2.0
152.99527	2.3
153.09172	1.8
153.12834	2.1
154.35083	1.4
155.10765	3.8
161.04512	3.6
163.11298	11.5
165.09132	2.2
165.12846	4.4
167.10672	1.8
169.12386	2.9
171.10272	87.7
172.10583	5.5
181.12280	3.1
185.11798	6.4
191.14297	2.3
197.11841	31.8
198.12321	1.8
199.09721	10.6
199.13406	3.1
201.11322	65.3
202.11638	3.4
207.10258	17.3
209.11827	90.2
210.12099	6.2
211.13472	7.7
215.13205	1.5
225.11249	21.4
226.11699	3.6
227.12883	14.5
235.08257	9.1
243.12192	2.3
245.19017	5.0
253.09274	31.4
254.09619	2.8
263.20123	4.2
271.06125	2.6
289.18073	23.0
291.19666	27.1
292.19974	3.3
307.19113	13.9
309.20715	57.2
310.20990	7.6
343.24762	4.9
396.16055	1.9
435.18631	2.1
482.38397	1.8
529.56293	1.9
541.81061	1.6
753.40540	2.7
789.43237	7.2
790.42395	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	789.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23330	0.1
56.73315	0.1
57.03432	0.1
59.01384	0.3
61.98833	2.0
63.02394	2.3
65.00320	5.4
65.62114	0.1
71.01368	0.6
72.62639	0.1
73.02965	0.1
78.95905	0.1
82.95406	0.2
83.01389	3.9
88.98790	0.2
89.02418	0.2
93.03467	5.0
96.52045	0.1
96.96018	0.4
97.02956	0.1
99.92596	0.8
101.02458	0.2
107.01398	9.5
108.01653	0.1
108.99321	0.2
109.02970	0.3
113.02473	0.1
116.92871	9.4
117.01942	0.5
117.03423	0.3
117.92893	0.5
119.05038	22.9
120.05340	0.9
120.43267	0.1
121.02945	0.4
125.02467	1.2
126.02833	0.1
131.01389	0.3
133.02969	0.1
135.00908	0.2
137.02452	0.5
137.66522	0.1
143.05006	0.4
145.02965	1.1
149.02449	0.2
151.00380	34.6
152.00717	1.6
161.06047	0.6
163.03944	0.2
164.01192	0.2
165.01938	1.9
169.01445	1.6
171.10318	0.2
175.00414	1.4
177.01949	3.9
179.03548	0.2
185.06093	0.7
187.04033	1.0
189.01938	0.2
193.01431	0.6
199.07645	0.2
203.07103	0.2
207.10245	0.5
209.11818	1.0
210.12143	0.1
217.01410	0.1
225.11285	0.5
227.07141	1.1
227.12823	0.2
229.04991	0.3
229.23874	0.2
253.09305	0.3
271.06094	100.0
272.06424	8.1
285.07605	0.2
295.06155	1.7
313.07251	0.8
337.07074	0.1
373.25827	0.8
458.46432	0.1
476.86444	0.1
604.19470	0.1
627.28040	0.2
641.61951	0.1
671.33380	0.2
689.34198	0.4
789.37109	2.1
790.37512	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03447	0.9
57.95410	0.2
58.00595	2.0
59.01376	33.9
60.01718	0.3
65.68559	0.2
66.00312	0.2
67.01885	0.2
70.94571	0.6
71.01385	21.4
72.01720	0.3
72.99306	2.0
73.02943	0.9
75.00889	0.5
80.96906	0.2
83.01393	1.6
85.02956	4.5
87.00875	1.4
89.02448	23.1
90.02798	0.6
93.03464	0.8
95.01404	1.8
97.02903	0.2
99.00890	0.4
99.08154	0.5
101.02455	14.5
102.02785	0.3
107.01369	0.4
109.02952	0.4
111.00925	0.6
113.02456	8.9
119.03508	10.2
119.04997	0.6
120.03900	0.2
121.02988	0.9
123.04531	0.3
125.02457	7.2
126.02856	0.3
131.03529	0.7
133.01456	0.2
133.02988	0.2
135.04523	0.6
135.27254	0.2
136.56563	0.2
137.02446	0.7
139.04022	0.3
142.99854	0.3
143.03511	0.8
143.07162	0.3
149.02487	1.4
149.04585	0.3
151.00360	2.7
151.04007	0.2
152.01151	0.3
153.01955	2.3
161.02524	0.5
161.04552	0.5
161.08191	0.7
163.04018	0.7
164.04742	0.6
166.02650	0.3
167.80560	0.2
173.04608	1.7
175.00337	0.4
175.03958	1.0
177.01941	3.3
178.99872	1.9
179.03513	0.7
179.05724	1.0
179.07047	0.4
181.01440	1.2
189.05658	0.2
191.03519	0.7
191.05615	2.5
192.04337	1.3
193.01541	0.2
193.04980	0.2
194.05701	0.4
195.03091	0.3
199.04071	0.4
207.06621	0.8
208.03888	0.3
209.08192	0.6
217.05066	0.4
223.06151	0.9
231.02693	0.2
241.05124	0.5
257.04276	0.2
259.06009	0.5
262.04874	0.3
275.05579	1.9
277.06998	0.2
285.04037	4.2
286.04312	0.5
293.12280	0.3
299.05511	0.4
301.03598	0.4
303.05096	17.6
304.05426	1.5
322.06479	0.3
323.13458	100.0
324.09982	0.4
324.13788	8.2
337.09286	2.0
341.05301	0.8
343.06781	0.3
353.08594	0.4
385.11041	0.3
447.09210	0.3
463.08740	0.4
465.10339	4.6
466.10727	0.4
476.26254	0.2
597.95795	0.2
653.20862	0.3
789.24841	3.1
790.24780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03437	2.3
58.00602	1.3
59.01374	10.7
62.23728	0.9
64.82445	1.1
67.01886	1.4
69.03439	1.6
69.39960	3.8
69.40392	4.8
71.01389	20.3
72.99307	4.1
73.02950	5.8
75.00874	1.7
78.78220	1.0
81.03458	1.8
83.01398	6.0
85.02955	10.5
87.00882	35.9
89.02460	7.0
93.03465	30.9
97.02953	3.4
98.19872	1.2
99.00895	8.5
100.01652	3.1
101.02444	9.4
107.04985	1.9
109.02959	2.4
111.00182	2.0
111.00900	29.5
112.98820	20.1
113.02448	5.0
115.00365	1.8
119.03569	1.8
119.05042	15.2
121.02962	1.9
123.04556	2.3
125.02461	1.7
127.04018	1.6
129.01956	7.5
131.03456	1.7
133.02876	1.3
135.04506	3.3
136.01686	5.6
137.02461	85.9
138.02786	3.2
142.99840	4.5
145.01451	2.8
145.02921	5.0
147.02907	1.6
149.02481	6.2
151.00378	2.3
151.03992	6.8
153.01971	1.0
153.05580	3.4
161.02509	8.2
161.04535	1.7
163.04008	14.5
164.04796	10.4
165.01952	54.6
165.05492	1.5
166.02739	9.6
173.00931	18.3
173.02367	1.8
173.04521	3.0
174.01752	8.1
175.03961	1.6
176.01114	1.1
176.04785	4.5
177.01904	3.9
177.05545	1.4
178.06409	1.8
179.03513	49.4
179.07111	17.0
180.04288	35.4
181.05077	14.0
181.07190	4.5
190.02637	1.2
191.01900	2.9
191.03545	5.1
191.05598	10.4
191.07181	2.5
192.04250	1.7
192.05890	2.0
192.99704	1.0
193.08746	1.9
194.05876	14.2
195.02991	1.5
195.06648	46.6
196.06926	3.0
203.03526	1.5
204.04276	1.1
205.05066	3.6
206.05891	1.7
207.03041	1.8
207.06607	4.7
209.04568	4.3
209.08156	11.5
210.05293	9.6
211.05994	3.7
219.02946	3.5
219.06554	2.7
220.03793	1.9
221.04449	1.7
221.08203	2.2
222.05330	2.7
223.06177	2.5
225.07648	16.8
231.03049	1.7
234.05247	3.8
235.06061	1.3
237.07565	2.2
239.05594	18.5
240.06038	1.4
245.04616	1.0
246.05354	1.0
247.06082	2.7
248.06982	1.2
249.04103	4.9
249.07578	7.5
250.04652	1.6
263.05521	1.4
264.06354	11.8
265.07083	12.2
272.96420	1.1
276.06436	1.5
277.07062	2.4
279.08792	1.4
281.06680	4.8
291.08624	3.5
295.08200	1.7
299.07672	4.8
319.56384	1.3
323.13425	4.0
324.13638	1.4
325.09357	2.3
337.09277	9.5
355.10172	1.5
362.99118	1.2
383.09891	1.7
387.14386	1.9
403.12405	2.4
405.21652	1.1
433.13510	4.4
443.13385	4.6
463.14542	100.0
464.15027	9.7
475.15509	1.4
479.15625	1.0
489.15860	3.4
491.15570	15.7
492.16049	2.1
503.14459	1.2
535.18402	1.6
551.17725	3.3
583.20282	2.1
609.18335	36.0
610.18829	4.6
627.19568	2.0
653.20905	1.3
789.24817	81.1
790.25067	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	788.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.49165	0.2
71.49505	0.1
78.95921	0.5
102.64124	0.1
137.66447	0.1
152.99608	0.4
153.99979	0.1
171.10254	0.2
209.11876	0.1
229.23750	0.1
279.23090	0.2
788.51141	0.2
789.43848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.1
60.56345	0.1
61.98827	100.0
62.98519	0.2
69.64407	0.1
70.95129	0.3
78.95911	0.5
80.96506	0.1
89.91613	0.1
96.96942	0.1
126.07184	0.1
152.99591	0.3
161.71788	0.1
171.10281	0.2
209.11871	0.2
232.97884	0.1
239.16197	0.1
267.59183	0.1
279.23236	0.2
280.23892	0.1
302.49200	0.1
543.34839	0.1
725.44635	0.1
788.51147	0.2
789.40619	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.79124	0.4
57.03436	1.0
58.00597	0.4
59.01376	5.2
60.40993	0.3
61.98514	0.7
61.98832	11.0
63.99262	0.4
65.00313	0.3
66.15199	0.3
69.03462	1.4
71.01386	6.7
71.05009	0.3
72.99310	0.7
73.02947	1.5
75.00885	0.7
78.95898	0.8
80.02690	1.4
81.03458	1.5
83.01394	1.6
83.05026	5.8
84.02174	2.9
85.02961	2.0
87.00884	3.9
87.94082	0.3
88.98812	0.7
89.02441	4.0
93.03448	0.6
95.01354	0.4
95.05025	0.9
96.96031	2.0
96.96971	0.8
97.02943	1.1
97.06610	4.5
99.00870	0.6
99.04511	0.6
101.02459	5.3
109.02960	0.5
109.06616	1.3
111.00908	0.3
111.04530	0.4
111.08177	0.8
113.02456	3.3
116.92900	2.8
119.03513	1.2
119.05026	0.6
121.22711	0.4
123.08147	0.6
125.02445	1.2
125.06102	1.1
125.09771	1.8
128.90186	0.5
135.04579	0.6
135.08192	1.1
135.53851	0.3
137.02441	0.5
137.09698	0.6
139.07640	0.4
143.03448	0.7
145.05089	0.8
150.03226	0.4
151.00397	0.9
151.11308	0.5
153.09283	0.4
153.12872	0.4
155.10828	0.6
161.04599	1.9
161.09778	0.3
163.11308	5.1
165.12857	2.9
169.12337	0.5
171.10280	15.2
172.10603	0.8
175.11195	0.4
179.05629	0.4
181.12347	1.0
185.11830	0.5
191.10812	1.4
193.12329	5.3
193.13918	0.5
197.11894	1.9
199.13368	0.6
201.11304	3.4
207.10239	2.0
209.11835	100.0
210.12155	6.7
211.13428	2.2
221.11806	0.9
221.71822	0.4
223.09866	0.5
225.11412	3.0
225.14948	8.3
226.15390	0.5
227.12904	11.1
228.13158	0.8
235.08192	5.6
243.15990	3.5
253.09273	16.0
253.14432	0.7
254.09718	0.9
265.14432	0.5
271.06128	1.7
287.05573	0.7
287.16501	0.4
289.18057	0.6
291.19641	1.5
299.79172	0.4
305.17587	0.9
309.20541	0.5
323.18634	0.5
323.22302	1.0
325.20181	3.3
327.21793	0.5
341.23337	61.7
342.23682	6.9
444.53976	0.4
445.20471	2.0
461.19843	0.4
503.33896	1.6
533.34888	2.5
534.35107	0.6
551.36395	0.6
577.32416	2.2
578.32367	0.7
763.64520	0.4
769.40070	0.8
787.41211	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	787.4506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.2
58.00597	1.6
59.01374	15.9
61.98826	37.1
61.99151	1.9
69.03438	1.1
69.37787	6.6
69.38197	2.8
71.01384	81.4
71.05022	1.1
72.01716	1.6
72.99297	1.6
73.02953	4.0
74.43913	1.0
75.00867	1.3
78.95907	19.7
78.96369	1.2
80.02684	2.7
81.03460	3.1
83.01386	2.7
83.05029	7.4
85.02959	6.4
87.00879	7.0
88.98820	1.5
89.02435	8.5
95.05042	2.4
96.97009	2.3
97.02970	5.0
97.06596	2.2
99.00911	3.5
101.02449	10.2
109.03018	1.4
109.06591	16.9
110.03738	1.1
110.17960	1.0
111.04558	1.0
111.08150	7.3
113.02499	6.2
119.03508	2.7
121.06620	1.5
123.04553	3.1
125.02460	6.9
125.06154	1.3
125.09727	3.0
135.08165	2.2
136.05345	1.2
137.02466	2.4
137.09801	1.2
142.02774	1.9
143.03464	1.7
152.99602	7.0
155.10800	1.2
161.02440	1.4
161.04596	4.1
161.09680	2.0
163.11279	15.3
165.12881	2.5
167.10799	2.5
169.12392	2.3
171.10291	30.3
172.10585	1.5
177.12903	1.9
179.05637	1.6
179.10793	2.7
181.12312	5.9
183.10390	1.3
183.13919	6.0
185.11835	3.4
191.10866	1.2
195.13904	13.5
197.06036	1.2
197.11783	7.2
199.13521	2.0
201.11305	10.9
205.12479	1.3
207.10269	45.0
208.10620	3.3
209.11838	91.0
210.12173	6.6
211.13484	2.4
215.12840	1.2
223.09802	1.6
223.13470	8.8
225.11314	38.4
225.14821	1.5
226.11615	2.9
227.12828	11.3
235.08231	6.6
243.12296	2.8
247.20662	1.6
253.09270	30.9
254.09552	1.7
256.13098	1.8
275.20184	9.4
289.07187	2.7
291.19662	67.9
292.20023	9.2
293.21213	100.0
294.21558	13.8
307.19122	1.5
309.20712	3.4
325.24124	1.5
428.77997	1.3
443.19254	1.9
461.20218	8.4
477.22812	1.3
479.21075	1.5
527.27820	1.2
574.22198	1.2
737.41168	9.0
738.41669	3.6
755.42413	3.8
756.42859	1.5
787.44354	12.5
788.44543	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
58.00592	0.5
59.01384	5.4
61.98827	5.3
63.13351	0.3
69.03458	1.0
69.78828	1.5
71.01382	9.1
71.04994	0.5
72.99302	0.4
73.02945	0.7
75.00844	0.5
78.95898	1.7
80.02674	1.4
81.03458	1.1
83.01395	0.9
83.05028	4.4
84.02170	0.9
85.02968	2.1
86.46696	0.3
87.00893	1.9
88.98804	0.6
89.02440	2.7
93.03474	0.5
95.05022	0.9
96.40929	0.3
97.02961	2.1
97.06588	0.7
97.87795	0.3
99.00880	0.7
101.02456	4.2
108.38823	0.3
109.06600	1.2
111.08164	4.0
112.08518	0.3
113.02449	2.4
116.92886	1.6
119.03518	1.1
121.06597	0.4
123.04549	0.4
125.02472	0.8
125.06120	0.7
125.09713	1.9
127.11288	0.5
131.03542	0.5
135.08173	0.7
137.09680	0.6
143.03496	0.4
151.11282	0.5
152.99637	0.7
153.12834	0.8
161.02388	0.4
161.04564	2.0
163.11316	4.3
165.12889	3.7
169.12360	5.8
171.10298	7.2
172.10593	0.7
177.09373	0.3
179.05614	0.7
179.10759	0.4
180.96498	0.3
181.12344	1.3
183.13895	0.4
185.11778	0.4
187.09769	0.4
189.12874	0.4
191.10800	1.0
191.14372	0.5
193.12274	0.4
193.15984	0.3
196.89145	0.3
197.11839	23.2
198.12190	1.2
199.13345	1.5
201.11264	1.1
201.66550	0.3
207.10287	1.7
209.11830	100.0
210.12172	6.8
211.13393	3.2
223.09726	0.5
223.13400	0.5
225.11342	1.7
227.12894	14.8
228.13130	0.9
235.08243	4.7
243.12408	0.4
247.20718	0.8
253.09276	14.5
254.09703	1.0
263.20160	1.5
265.18091	0.4
273.18674	0.9
289.18130	1.4
291.19647	18.1
292.20050	1.7
307.19086	1.3
309.20706	45.6
309.62943	0.3
310.21036	5.9
311.65326	0.4
327.21890	0.4
343.47559	0.3
348.08179	0.4
405.20825	0.6
445.20667	2.7
463.21310	0.3
501.32507	1.0
527.28461	0.7
545.29504	2.0
546.30798	0.4
741.40405	0.5
769.40228	1.0
770.41058	0.4
787.41565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.64173	0.6
57.03440	2.7
58.00594	1.0
59.01377	12.2
61.98830	26.4
68.99825	2.9
69.03451	2.3
71.01382	100.0
71.05027	1.0
71.55814	0.5
72.01729	1.9
72.99310	2.9
73.02965	3.0
75.00878	2.4
78.95907	2.0
80.02682	1.3
81.03480	3.1
83.01396	2.9
83.05017	3.6
84.02164	0.8
85.02951	4.3
87.00881	24.1
89.02452	5.1
93.03451	0.8
95.01391	1.4
95.05038	2.0
97.02960	7.7
97.06603	4.5
99.00897	1.4
101.02451	7.5
106.04281	0.8
107.05050	1.7
108.02222	0.6
109.03003	1.6
109.06596	9.9
110.03761	2.3
111.00936	0.7
111.04533	6.9
111.08199	2.1
113.02438	4.6
116.92909	0.8
119.03521	1.1
119.08749	0.9
121.03029	0.9
121.06642	0.6
122.03751	1.2
123.04527	2.8
123.08179	2.5
125.02461	1.6
125.06109	1.0
125.09740	11.4
127.11320	2.0
135.08188	2.8
136.05351	1.0
137.09741	2.8
139.07661	0.8
141.12831	0.8
142.02721	1.5
145.05101	0.8
145.10323	0.6
148.85236	0.6
149.06065	0.8
149.09746	1.9
151.11275	2.3
153.09233	1.9
155.10811	1.8
157.05142	0.6
161.04582	2.8
161.09732	5.6
163.07677	0.8
163.11314	8.4
164.11633	0.8
165.09230	1.3
165.12938	2.9
167.10788	1.7
169.12411	1.6
171.10277	30.0
171.50237	0.6
172.10672	1.5
172.66132	0.7
176.65469	0.5
177.09222	2.2
179.05721	0.8
179.10780	7.9
179.14406	0.7
181.08842	0.8
181.12341	4.2
183.10289	0.8
185.11844	6.0
187.09842	3.6
189.09186	0.6
191.14482	2.2
195.10265	1.7
197.11803	9.2
198.12143	0.8
199.08224	0.6
199.09856	2.3
199.13487	3.0
201.11331	13.4
202.11745	0.9
205.08699	10.6
206.09105	0.7
207.10266	18.9
208.10580	1.2
209.11821	10.0
210.12230	0.7
211.13448	1.9
213.11331	4.5
214.11595	0.7
214.59254	0.6
215.12897	2.4
221.11830	0.9
223.07564	1.2
223.09766	24.5
224.10172	1.8
225.05049	0.6
225.11320	16.0
226.11801	1.2
227.12917	2.6
235.08267	2.6
239.12846	1.2
241.10774	3.7
243.12355	1.6
245.19002	3.8
247.20724	1.7
253.09268	11.0
263.20169	1.2
273.98755	0.7
289.18097	9.9
290.18372	0.7
291.19653	20.5
292.19986	1.4
293.21262	0.8
307.19141	5.7
309.20685	14.6
310.21201	1.9
315.14166	0.7
419.19888	0.9
423.18991	0.8
459.18896	2.6
461.20242	3.0
477.19907	1.0
641.08600	0.7
671.32574	0.8
751.38959	1.3
769.40875	1.9
770.40515	0.8
787.42908	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	787.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.2
57.03442	0.5
59.01380	2.0
67.01897	0.2
69.44458	1.6
71.01382	3.1
72.99298	0.3
73.02937	0.8
75.00870	1.0
83.01392	0.4
85.02957	2.9
87.00877	0.8
88.98804	0.4
89.02429	1.0
91.05545	0.2
93.03481	0.8
95.01396	0.6
97.84312	0.2
99.00890	0.7
101.02448	1.1
109.02963	0.5
109.93697	0.2
113.02470	3.0
117.03480	0.5
119.05016	0.2
121.02961	3.7
125.02453	0.3
129.01965	0.3
131.03487	0.2
134.03740	0.6
135.04526	3.5
136.01613	0.2
136.04871	0.2
137.02449	1.1
149.02454	25.8
149.94008	0.2
150.02734	1.1
151.04021	0.6
151.99994	0.4
152.01166	5.5
161.02428	0.4
161.04579	0.8
163.04027	4.7
164.04805	24.5
165.01967	1.2
165.05167	1.3
167.03481	1.2
169.05064	2.6
173.04549	0.3
176.94034	0.2
177.05563	0.2
179.03786	0.3
179.05798	0.4
179.07140	10.3
180.04263	0.3
180.07510	0.4
190.02744	0.3
191.03682	0.3
191.05611	0.6
193.01422	13.4
194.01767	0.6
205.05124	0.4
208.03767	37.1
209.04094	2.2
223.06113	100.0
224.06448	6.3
249.06068	0.7
265.07211	0.4
267.07166	5.9
267.09912	0.4
268.07559	0.3
269.10300	1.0
367.10031	0.2
384.78326	0.2
385.11395	36.6
386.06940	0.2
386.11728	3.4
401.14688	3.3
402.15024	0.4
751.31134	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.1
57.03428	0.2
59.01384	0.7
61.98826	8.0
63.02394	2.3
65.00321	5.5
65.00670	0.3
66.00665	0.1
69.39941	0.9
69.40348	0.3
71.01381	1.1
73.02962	0.2
78.95915	0.5
81.03460	0.2
82.95434	0.1
83.01382	3.8
85.02941	0.2
85.24174	0.1
87.00875	0.2
88.98796	0.3
89.02473	0.3
93.03461	5.8
94.03778	0.2
95.01373	0.1
96.96007	1.1
96.96988	0.3
97.02979	0.2
97.06625	0.2
101.02457	0.4
104.02662	0.1
107.01400	10.0
108.01672	0.3
108.99339	0.1
109.02981	0.3
109.06589	0.2
112.38947	0.1
113.02451	0.2
116.92876	0.9
117.03497	0.2
119.05035	22.8
120.05354	1.3
121.02956	0.3
122.03738	0.2
123.04517	0.3
125.02475	1.6
125.09685	0.2
131.01431	0.2
133.02922	0.3
135.00883	0.2
135.04535	0.4
137.02451	0.9
143.05048	0.3
145.02936	1.0
149.02420	0.4
150.03172	0.2
151.00380	34.6
152.00719	1.4
152.25699	0.1
153.01862	0.1
161.01273	0.1
161.02452	0.3
161.04674	0.2
161.06108	0.7
163.11346	0.2
164.01154	0.2
165.01955	2.2
166.02367	0.2
169.01434	2.1
171.10306	0.5
175.00366	1.0
177.01935	4.0
178.02254	0.1
179.03490	0.1
185.06079	0.7
185.11765	0.1
187.03978	1.1
189.01997	0.1
193.01410	0.5
197.11906	0.2
199.13460	0.2
201.01891	0.1
203.07130	0.2
207.10265	0.5
209.11841	1.8
211.13332	0.3
218.35117	0.1
224.07928	0.1
225.11320	0.5
227.07117	0.9
227.12912	0.6
229.05020	0.4
243.12247	0.2
253.05072	0.2
253.09259	0.4
259.06052	0.1
271.06082	100.0
272.06409	8.9
285.03986	0.2
287.05527	0.4
289.07062	0.3
295.06171	1.2
313.07169	0.4
325.20255	0.2
341.23550	0.7
353.23288	0.5
367.64206	0.1
371.24362	1.1
372.24780	0.2
401.59711	0.1
625.30042	0.6
733.88129	0.1
787.34998	1.3
788.36615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51714	0.1
61.98827	100.0
62.98536	0.1
62.99251	0.1
68.73476	0.1
89.38824	0.1
209.11897	0.1
210.12271	0.1
277.21683	0.1
278.22037	0.1
279.22678	0.1
757.46759	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	786.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05896	0.1
61.98827	100.0
62.98538	0.2
62.99269	0.1
66.86285	0.1
71.01403	0.1
71.32476	0.1
78.95932	0.1
80.47184	0.1
80.96522	0.1
96.37657	0.1
99.02203	0.1
209.11884	0.1
216.98257	0.1
279.23178	0.1
484.05142	0.1
735.99554	0.1
786.49872	0.1
787.40039	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	786.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.2
61.98830	39.4
70.11858	2.3
71.01379	1.3
78.95906	24.3
80.96541	0.5
81.03431	1.1
83.05032	3.5
96.96946	0.9
125.00123	0.8
125.02467	2.4
125.06106	0.6
125.09727	0.6
137.02470	0.7
151.03984	0.7
152.99599	4.0
161.02512	0.6
163.11310	2.6
165.12866	1.4
168.04323	4.3
171.10301	1.0
184.18007	0.6
191.10855	0.7
209.11842	26.2
210.12190	1.6
223.13321	0.8
224.06958	2.1
226.11996	0.6
227.12959	3.5
241.14381	3.1
242.07980	0.9
277.21710	100.0
278.22067	9.5
291.19427	0.6
369.41284	0.6
434.19110	0.8
445.07199	0.6
452.20859	2.8
466.22729	0.6
471.35342	0.7
554.06470	0.7
641.34430	0.9
667.36768	0.9
712.42120	63.3
713.42444	15.5
726.43591	6.5
727.43970	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
61.98827	100.0
62.10133	0.1
62.98532	0.2
63.99265	0.2
71.48767	0.1
71.49127	0.1
78.95901	0.3
80.96521	0.1
85.02966	0.1
94.26318	0.1
96.96957	0.1
116.92863	0.2
152.99620	0.2
174.59956	0.1
209.11914	0.1
277.21689	0.2
278.22113	0.1
279.23462	0.1
326.49796	0.1
785.17010	0.1
786.49786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52075	0.1
59.01371	1.3
61.98826	100.0
62.98521	0.2
63.99250	0.1
71.01390	0.1
71.62485	0.1
78.95901	2.9
80.02701	0.2
81.03475	0.3
83.01420	0.2
83.05017	0.5
84.02155	0.1
88.43890	0.1
94.20774	0.1
101.13344	0.1
116.07938	0.1
125.00116	0.1
125.02443	0.4
125.09795	0.1
147.11891	0.1
152.99612	0.7
163.11285	0.4
165.12877	0.3
168.04317	0.5
171.10338	0.2
191.10808	0.2
195.50510	0.1
197.11763	0.1
209.11829	5.9
210.12187	0.4
211.13347	0.2
212.13620	0.1
223.13373	0.2
224.06906	0.2
226.12120	0.1
227.12863	0.9
232.30177	0.1
241.14455	1.0
249.18562	0.1
253.09454	0.1
277.21695	3.9
278.22086	0.5
287.06161	0.1
289.07300	0.2
293.21188	0.2
341.65070	0.1
502.29056	0.2
641.34741	0.1
668.37384	0.2
712.42065	6.2
713.42548	1.7
726.32495	0.1
726.43286	0.6
727.43658	0.2
786.48376	0.2
787.41620	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	784.415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40693	0.1
61.98827	100.0
62.98519	0.2
63.87086	0.1
71.01410	0.1
73.02959	0.1
77.09244	0.1
78.95930	0.4
79.95722	0.1
80.96513	0.6
94.98106	0.1
99.92603	0.1
103.08743	0.1
116.92864	1.1
152.99638	0.2
176.59033	0.1
187.16042	0.1
197.11903	0.1
209.11795	0.4
210.12320	0.1
223.13521	0.1
225.00740	0.2
277.21805	0.3
279.23300	0.1
291.19833	0.1
293.21332	0.1
295.22815	0.2
476.60199	0.1
696.96613	0.1
784.42542	0.8
785.42816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01381	2.3
60.99301	1.5
65.03943	0.3
67.01891	5.5
69.03462	1.5
71.01389	4.0
72.99323	0.2
81.03471	1.3
83.01396	0.2
83.05031	1.3
85.02956	4.8
87.00378	0.3
87.00887	4.4
90.09808	0.2
93.03467	37.6
94.03803	0.9
95.01383	0.2
99.00880	0.4
99.04510	0.5
101.02457	0.3
109.02969	1.3
109.57338	0.2
111.00897	0.8
111.03801	0.4
111.04533	6.9
113.02451	0.8
115.62841	0.2
117.03471	0.5
119.05041	19.5
120.05379	0.7
121.02957	0.4
127.04027	1.5
129.01927	0.8
137.02448	3.7
143.03632	0.2
144.41797	0.3
145.02975	3.1
150.07556	0.2
155.03510	3.3
163.04025	17.8
164.04373	0.9
171.03050	0.4
173.04567	99.6
174.04926	4.2
176.80782	0.2
191.05626	100.0
192.05972	4.0
197.92781	0.2
229.26738	0.2
250.80072	0.2
337.09286	67.8
338.09622	6.6
345.95450	0.2
353.09354	0.2
400.09015	0.2
429.14078	0.9
458.13031	0.2
568.81500	0.2
591.89154	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
57.03436	5.4
59.01379	22.4
61.98827	18.4
63.76910	1.2
63.95708	1.2
66.77106	1.4
68.99809	3.4
69.03458	9.0
69.32075	15.2
71.01388	29.0
71.05011	3.8
72.99304	6.7
73.02937	4.5
75.00874	18.7
78.95907	3.6
80.02685	1.7
81.03457	3.7
83.05033	5.7
84.02161	1.6
85.02956	27.3
87.00887	11.8
89.02433	7.9
95.01389	4.7
96.96021	3.8
97.02939	3.8
97.06601	3.5
99.00863	14.2
101.02446	10.4
103.00394	2.6
109.03029	2.1
109.06603	5.9
111.00880	2.5
113.02461	29.7
115.00378	3.3
116.92861	6.8
117.01979	2.7
123.04528	1.9
123.08167	3.1
125.02514	1.6
125.09745	8.9
126.75999	1.4
129.01924	3.8
129.66473	1.4
135.08189	2.2
137.09741	2.9
139.00320	1.6
151.11299	4.4
153.12854	3.4
157.01442	3.8
160.08876	1.4
161.04575	2.5
161.09702	3.9
163.11311	8.0
167.10771	2.5
171.10274	6.1
175.02493	3.7
177.12866	1.8
179.05615	1.7
179.10776	17.3
181.12387	1.6
183.13931	1.4
185.11823	7.0
191.10800	2.2
191.14377	2.1
193.03534	2.0
197.11838	100.0
198.12144	5.8
207.10231	7.0
209.11832	55.9
210.12119	5.7
210.93443	1.4
211.13400	2.9
221.11858	4.4
223.09715	4.7
225.11313	7.5
227.12892	11.2
235.08264	2.8
237.11282	1.7
239.12926	3.7
241.10829	9.1
245.19101	5.3
249.06125	2.6
253.09277	6.8
271.06290	1.6
289.18085	16.8
290.18381	3.0
291.19595	2.4
293.21179	1.5
307.19077	13.3
309.20694	4.0
405.26346	2.6
459.18753	3.5
475.82117	1.5
477.19736	12.1
501.31735	1.8
559.27948	1.6
669.31543	8.4
670.31494	2.0
699.32764	10.0
749.37988	2.7
767.38879	63.4
767.53040	3.0
768.39160	19.8
785.39954	28.3
786.40601	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	784.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
61.98830	100.0
62.98546	0.2
62.99272	0.1
71.01389	0.1
71.64578	0.1
78.95930	0.1
79.95725	0.1
80.96528	0.4
85.03016	0.1
94.98088	0.1
101.02456	0.1
120.28098	0.0
152.98567	0.1
152.99666	0.1
164.98723	0.1
185.11899	0.1
209.11842	1.1
210.12239	0.5
211.13451	0.2
225.00851	0.1
225.11293	0.1
226.11780	0.1
227.12933	0.1
229.14386	0.1
253.09297	0.1
277.21707	1.1
278.22018	0.5
291.19815	0.1
293.21326	0.1
295.22861	0.1
317.51730	0.0
350.58231	0.1
724.43573	0.1
784.42438	0.4
785.42444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
61.98825	100.0
62.98535	0.2
70.74038	0.1
73.45298	0.1
78.95926	0.2
80.96507	0.3
102.43642	0.0
109.06602	0.1
116.92872	0.1
132.51659	0.0
152.99619	0.1
163.11296	0.1
164.98647	0.1
183.42514	0.0
193.93134	0.0
197.11894	0.1
207.10255	0.1
209.11833	0.1
210.12193	0.1
223.13406	0.1
224.13763	0.1
225.00716	0.1
227.12944	0.1
253.09306	0.1
277.21652	0.4
278.22150	0.2
279.22852	0.1
293.20895	0.1
378.47037	0.0
417.58310	0.1
533.14954	0.0
540.13837	0.1
710.43597	0.1
743.80035	0.1
775.23669	0.0
784.42548	0.4
785.42792	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	783.456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
59.01376	4.8
61.98819	1.6
63.33738	0.3
71.01381	3.4
71.15688	0.6
71.16040	0.3
72.99322	0.3
73.02937	1.0
75.76437	0.3
80.02692	0.9
81.03468	1.0
83.01386	0.4
83.05028	3.3
83.49294	0.2
84.02186	0.5
85.02976	1.1
87.00875	1.0
89.02453	2.5
95.01401	0.7
95.05014	0.4
95.15022	0.3
101.02457	2.8
109.17317	0.3
113.02477	1.6
119.03469	0.7
125.06088	0.4
127.07741	0.4
127.11390	0.3
133.05093	0.4
135.08185	0.3
145.05078	0.6
161.04581	1.7
163.11282	2.8
165.12839	2.1
166.92264	0.2
179.05618	0.6
181.12292	0.4
191.10829	0.5
201.64661	0.3
209.11836	75.1
210.12166	5.6
227.10698	0.5
227.12891	9.3
228.13185	0.5
235.05829	0.2
235.08214	5.8
253.09262	9.2
254.09583	0.6
259.20789	0.4
277.21716	100.0
278.22079	10.8
356.30560	0.3
358.40469	0.3
445.20700	0.9
513.30475	0.8
779.13794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01098	0.6
59.01377	8.2
61.98832	17.5
69.03456	0.6
71.01387	3.1
73.02940	0.6
76.59062	0.4
78.95915	2.2
83.05010	0.8
85.02956	1.1
89.02461	2.3
99.00892	0.5
101.02435	2.7
111.08172	0.8
113.02476	1.4
119.03500	0.6
123.04575	0.4
125.02437	1.7
126.69505	0.4
152.99580	0.9
161.04565	1.8
163.11317	0.5
165.12804	0.6
171.10220	1.2
179.05728	0.6
183.13896	6.0
193.12355	1.6
195.13937	6.2
196.14415	0.6
197.11803	0.8
205.12405	0.5
209.11847	6.7
210.12238	0.5
211.13396	100.0
212.13741	6.6
223.13441	3.0
224.13661	0.7
227.12898	0.7
231.21249	0.7
235.08243	4.0
236.08617	0.8
253.06624	0.7
253.09276	14.2
253.11819	1.0
254.09515	0.7
255.23016	0.6
256.13220	1.1
256.55310	0.5
275.20166	5.1
277.21716	4.6
278.22073	0.7
289.07089	0.5
289.76129	0.4
293.21219	64.6
294.21524	7.3
295.22824	0.7
447.22354	9.0
448.22620	1.7
487.34143	1.3
529.30206	2.1
530.30084	0.5
601.63116	0.5
723.43634	0.9
783.47266	1.7
784.47748	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	784.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12957	0.0
58.50259	0.1
59.01377	0.2
60.99303	0.1
61.98828	100.0
62.98535	0.2
71.01393	0.2
71.14153	0.0
72.99335	0.1
75.00871	0.1
76.87753	0.1
78.91884	0.1
78.95936	0.2
83.01391	0.1
88.98814	0.2
89.02447	0.2
93.03474	0.1
96.96037	0.2
96.96992	0.1
97.02938	0.0
101.02467	0.1
107.01396	0.2
109.02981	0.1
113.02491	0.1
116.92863	0.4
119.05042	0.8
120.05413	0.1
121.03019	0.1
122.03745	0.0
123.04549	0.1
125.02463	0.3
133.03030	0.0
135.04541	0.2
137.02493	0.2
145.03017	0.1
146.98802	0.1
149.02480	0.1
151.00377	0.6
151.03973	0.1
152.00668	0.1
152.99538	0.1
155.10884	0.1
161.02486	0.1
161.04654	0.1
161.06075	0.0
162.03297	0.1
163.04033	0.2
164.01291	0.1
165.01956	0.2
171.10266	0.1
177.01909	0.1
191.03574	0.1
205.60414	0.0
207.10376	0.1
209.11842	0.2
211.13394	0.1
225.11559	0.1
227.03636	0.1
271.06113	0.8
272.06436	0.1
287.05618	0.3
288.06082	0.1
289.07251	0.1
459.29956	0.1
544.17358	0.1
623.28705	0.1
785.38287	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	783.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.2
61.43575	0.3
61.98528	0.5
61.98829	7.3
70.32599	1.0
71.01387	2.1
73.02934	0.6
78.95909	0.3
80.02681	1.0
80.96519	0.3
81.03458	0.6
82.68022	0.3
83.05035	4.2
83.47632	0.2
84.02197	0.7
85.02946	0.7
86.41516	0.2
87.00875	0.3
89.02441	1.7
93.61510	0.2
95.05026	0.6
101.02441	1.9
109.06593	0.4
113.02469	1.1
113.72109	0.2
119.03500	0.5
125.06046	0.5
135.08247	0.5
152.28017	0.3
152.99597	0.3
161.04578	1.1
163.11333	3.2
165.12871	2.0
179.05664	0.6
181.12341	0.4
186.70343	0.3
191.10770	1.0
209.11826	100.0
210.12173	7.7
227.12888	13.3
228.13222	1.0
235.08174	1.3
253.09271	7.0
254.09669	0.4
273.83072	0.3
277.21710	51.8
278.19360	0.4
278.22098	5.7
281.18173	0.3
281.21274	0.3
293.21185	0.4
307.88614	0.2
313.66238	0.3
445.20929	2.8
446.20840	0.3
487.02875	0.3
513.30798	0.3
783.45282	0.3
784.47961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.1
61.06002	0.1
61.98829	100.0
62.98531	0.2
62.99265	0.1
78.95902	0.4
79.95746	0.3
80.96510	0.4
94.59740	0.1
94.98091	0.1
96.96993	0.1
99.94878	0.1
152.99606	0.1
176.63483	0.1
209.11865	0.2
210.12294	0.1
223.13457	0.2
224.13785	0.2
225.00768	0.1
225.14108	0.1
226.01039	0.1
232.59409	0.1
245.88760	0.1
255.23360	0.2
270.51306	0.1
277.21881	0.2
278.22150	0.2
279.22400	0.2
477.61670	0.1
502.16125	0.1
514.84235	0.1
707.23578	0.1
764.40363	0.2
782.41187	0.4
783.42621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
59.01375	18.1
61.98830	15.5
61.99145	1.1
71.01377	6.5
71.05019	0.8
73.02937	1.1
78.95905	5.2
80.96509	3.4
85.02938	1.4
89.02463	1.7
96.96977	1.3
97.02953	7.7
97.08751	0.7
99.00880	11.7
101.02457	3.2
109.03026	0.8
109.06631	1.6
110.03747	1.3
111.96518	0.7
113.02448	2.0
125.02463	1.5
125.09717	3.0
135.08119	0.9
136.05263	0.8
142.02715	1.9
152.99564	2.2
158.59100	0.7
161.04535	1.0
163.11301	8.6
181.12338	20.6
182.12610	0.7
188.83563	0.7
199.13344	1.0
207.10255	47.5
208.10596	2.9
209.11824	5.8
225.00873	1.2
225.11313	100.0
226.11610	6.6
235.08199	1.2
241.01210	2.5
243.12335	12.1
244.12631	0.8
253.09285	2.4
255.23251	3.8
277.21704	86.7
278.21997	8.9
281.13922	1.2
306.77151	0.9
438.28784	0.9
443.19235	3.9
444.19305	1.0
461.20251	41.1
462.20682	5.4
542.01337	0.8
721.41779	28.8
722.42102	7.5
724.09619	0.8
781.41272	11.1
782.42639	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	781.441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.2
61.98825	8.1
68.55657	0.4
71.01377	3.8
72.27673	0.4
72.28082	0.4
73.02940	1.0
76.50148	0.5
78.95905	41.1
79.95746	0.5
80.02679	1.4
80.96519	3.9
81.03461	1.3
83.01379	0.8
83.05027	4.2
84.02193	0.9
85.02949	1.5
87.00888	1.2
89.02461	1.9
93.86608	0.4
94.98106	0.9
95.05046	0.7
96.96966	9.1
97.02957	3.1
97.06639	1.1
99.00885	6.2
101.02451	2.3
109.06616	1.9
110.03758	0.8
113.02463	1.4
119.03414	0.4
119.35372	0.4
123.04463	0.7
123.08170	0.5
125.02464	1.1
125.09776	2.4
134.97552	0.6
135.08203	1.5
136.05298	0.8
142.02736	1.0
148.99168	0.5
152.99609	10.0
161.04585	0.7
163.11301	7.8
164.98662	0.6
165.12839	1.8
181.12349	8.2
182.12737	0.5
191.10748	0.8
195.13890	0.6
199.13347	0.9
202.56575	0.4
207.10268	26.3
208.10614	1.9
209.11832	36.7
210.12102	2.3
223.00128	3.1
223.13425	2.1
225.00699	1.2
225.11316	50.5
226.11693	3.6
227.12906	2.8
235.08015	2.2
241.01196	18.8
242.01517	0.5
243.12387	6.6
244.12866	0.7
253.09302	3.3
255.23273	22.2
256.23584	2.2
259.02197	1.7
268.79153	0.5
277.21719	100.0
278.22049	10.3
291.19583	1.4
293.21259	1.6
315.04977	0.9
323.14963	0.4
363.12054	1.2
391.22736	1.1
443.19308	5.5
444.19504	0.7
461.20313	7.0
462.20615	0.7
513.30823	0.7
525.16895	0.6
571.29840	0.5
577.36914	0.5
620.10785	0.5
708.43475	0.9
721.41852	21.2
722.42029	6.2
781.41595	63.9
782.41888	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	781.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01381	25.1
59.70985	0.7
61.98830	36.3
69.03481	1.0
69.63616	3.3
69.64027	1.8
70.07169	0.7
71.01388	12.2
71.05013	0.9
72.01723	0.8
73.02940	0.8
75.23883	0.7
78.95909	55.1
78.98608	0.7
79.95744	2.0
80.02673	3.2
80.96516	7.0
81.03468	3.5
83.01398	1.1
83.05030	9.8
84.02182	1.8
85.02961	1.4
87.00920	0.9
89.02449	3.6
93.03456	1.0
93.93282	0.7
94.98112	2.1
95.05035	1.9
96.96976	11.1
97.02966	7.2
97.06629	1.1
99.00894	2.1
101.02470	4.7
107.05022	1.2
108.94421	0.7
109.06602	32.5
110.03762	0.8
110.07022	1.0
113.02465	2.3
119.03480	0.7
121.06615	2.0
122.98532	0.7
125.02484	1.0
125.06099	0.8
125.09734	1.9
133.34996	0.7
135.08180	3.8
136.05322	1.6
142.02756	2.5
148.99138	1.0
152.99603	13.7
161.04585	1.6
161.09729	1.7
163.11302	23.7
164.11678	1.6
164.98584	1.4
165.12863	2.6
168.04332	1.2
171.10307	1.0
179.05609	1.5
179.10834	0.8
181.12375	4.9
189.09204	3.1
191.10786	1.3
195.13928	2.2
205.12376	1.1
207.10268	100.0
208.10602	6.1
209.11832	49.6
210.12126	4.4
221.11862	0.7
223.00148	2.4
223.13390	10.3
224.06859	1.1
225.00714	2.3
225.11310	34.3
226.11690	2.0
227.12927	4.4
235.08112	3.3
239.12946	1.9
240.13193	1.0
241.01178	23.7
243.12337	1.0
253.09251	13.2
254.09718	0.9
255.20560	1.5
255.23277	30.9
256.23578	6.7
259.02194	1.6
277.21710	84.5
278.22058	7.3
391.22580	1.6
441.34012	1.6
443.19165	5.1
444.19644	1.6
461.20255	10.5
462.20752	1.6
485.32520	1.5
525.16833	1.0
553.28210	1.4
703.41187	2.2
704.42523	0.8
708.42645	9.2
709.38831	1.1
721.41827	33.6
722.42340	9.2
781.41626	82.1
782.41925	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	781.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44359	0.3
57.03465	0.3
59.01387	0.4
60.13031	0.3
61.98827	1.8
67.39412	0.2
67.55016	0.2
73.76531	0.3
78.95909	58.4
79.95742	1.7
80.02663	1.5
80.96515	2.9
81.03470	1.6
83.05034	6.7
84.02169	1.3
84.05325	0.3
88.57530	0.3
89.82215	0.3
92.74047	0.2
94.98122	0.4
95.05032	0.8
96.96973	13.9
97.02947	0.3
97.06626	0.6
98.19913	0.6
109.06570	0.4
112.46598	0.3
125.06073	0.8
127.04005	0.3
134.97546	0.3
134.98532	0.6
135.08191	1.0
150.98032	0.5
152.99608	13.1
154.00038	0.5
163.11324	5.0
164.11627	0.3
164.98633	0.5
165.12852	2.9
181.12340	1.3
191.10718	1.5
209.11836	56.7
210.12173	3.7
223.00142	3.6
225.00700	0.8
227.12889	3.5
231.61765	0.3
241.01190	30.4
242.01566	0.8
249.80655	0.3
255.23282	35.3
256.23642	3.0
259.02191	2.7
277.21597	0.5
297.03833	1.1
315.04849	1.0
363.12268	1.5
391.22394	1.9
413.85349	0.3
423.53018	0.3
509.08176	0.3
525.17224	1.0
553.27618	1.6
571.28442	0.8
763.39716	1.2
781.41693	100.0
782.41974	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	781.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03467	0.3
58.00589	0.8
59.01376	17.0
60.01720	0.2
62.38739	0.2
69.15716	0.2
69.60078	0.2
71.01383	12.4
72.99304	1.1
73.02945	0.7
75.00887	0.3
83.01388	0.8
85.02957	2.5
85.06080	0.4
85.06593	6.7
87.00900	1.1
89.02454	13.7
93.03474	0.6
95.01400	0.9
99.00861	0.3
101.01774	0.5
101.02451	9.6
107.05000	0.2
109.02956	0.3
113.02460	5.9
113.06122	1.8
114.02841	0.3
115.07654	1.0
117.03477	13.6
118.03812	0.7
118.98083	0.2
119.02656	0.3
119.03522	5.2
119.05025	3.5
120.05360	0.3
125.02474	1.4
127.07650	1.0
131.03493	0.7
131.07152	33.9
132.07440	1.0
133.02930	0.3
135.04547	0.5
137.02446	0.5
143.03494	0.7
144.25763	0.2
145.02966	69.9
146.03313	3.8
149.04572	0.3
151.00429	0.3
151.02100	0.2
151.04002	0.3
161.02457	1.0
161.04591	0.6
163.04022	4.8
164.01074	0.3
164.04317	0.4
165.04117	0.4
165.05595	0.3
173.04523	0.8
173.08180	0.8
179.03505	0.4
179.05618	0.9
191.05626	0.8
211.07498	0.3
217.05042	0.3
217.41231	0.2
261.08786	0.5
293.12393	100.0
294.12756	7.2
303.05066	0.4
305.06424	0.3
307.08224	0.7
311.07565	0.2
313.09299	0.3
323.13437	2.3
328.04742	0.2
341.10989	0.8
363.17029	0.2
368.75845	0.2
408.36703	0.3
417.14151	0.3
457.17148	0.5
467.12021	0.7
475.14636	0.6
487.14545	35.4
488.14899	4.7
591.50879	0.3
678.98431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01912	0.2
59.01366	0.3
61.98828	100.0
69.38217	1.1
69.38630	0.4
78.95908	0.7
79.90494	0.2
88.98821	0.6
97.86674	0.2
116.92873	0.6
125.02466	0.4
137.02464	0.2
149.29248	0.2
152.99634	0.3
158.44600	0.2
171.10260	0.3
207.10312	0.2
209.11899	0.4
211.13397	0.2
220.14665	0.2
221.15401	0.2
222.15912	0.2
236.10580	0.4
293.17670	0.4
312.76538	0.2
499.30707	0.4
501.32425	0.3
533.01099	0.2
533.09290	0.2
545.34729	0.2
546.35498	0.3
675.17102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
62.96409	0.3
70.72784	0.5
71.01369	0.5
78.95906	43.6
81.02883	0.2
89.02428	0.7
96.96968	100.0
97.97363	0.3
99.54169	0.2
101.02439	0.3
103.60224	0.2
113.02477	0.3
119.03515	0.3
171.44940	0.2
179.05542	0.2
205.49239	0.2
231.10506	0.2
238.53307	0.2
341.10941	1.5
412.65775	0.2
439.08557	30.9
440.02829	0.2
440.08890	3.0
478.57919	0.2
676.39764	0.2
704.07404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
57.03446	0.3
58.00586	0.3
58.78919	0.2
59.01378	9.5
66.86283	0.2
69.31753	0.2
69.75989	1.6
71.01383	7.3
72.01740	0.2
72.99313	0.5
73.02956	0.4
75.00867	0.3
76.22098	0.2
83.01408	0.4
85.02941	1.5
85.06601	2.0
87.00863	0.4
89.02449	7.1
93.03474	0.3
95.01382	0.6
99.00886	0.2
101.02454	4.7
113.02457	3.1
113.06089	0.8
115.07681	0.3
117.03480	19.5
118.03799	1.0
119.03534	2.4
119.05040	4.2
120.05424	0.2
125.02491	0.3
127.07658	0.4
131.03494	0.2
131.07155	10.3
132.07471	0.4
133.02913	0.2
136.07794	0.3
143.03499	0.6
145.02971	100.0
146.03307	4.6
146.04372	0.4
161.02417	0.5
161.04587	0.5
163.04024	6.4
164.04279	0.4
173.04553	0.6
173.08160	0.3
179.05626	1.3
191.05620	2.7
215.25233	0.2
223.67328	0.2
293.12415	21.3
294.12698	1.6
307.08209	1.4
323.13477	0.5
330.92383	0.3
341.10788	1.3
353.08627	0.3
387.79367	0.2
475.14438	0.3
487.14551	64.2
488.14896	9.1
689.09729	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01379	19.2
61.98831	9.2
69.03462	1.3
69.42245	0.3
71.01003	0.2
71.01388	3.1
71.05016	0.4
72.99314	0.2
73.02948	0.8
78.95901	2.6
81.03443	0.3
83.01400	0.4
83.05036	0.5
85.02965	0.9
85.06605	0.4
87.00877	0.7
89.02453	1.9
93.03490	0.2
95.01400	0.2
95.05047	0.4
96.96973	0.5
97.02956	0.3
99.00910	0.2
101.02442	2.8
109.06599	1.3
113.02457	1.9
116.92903	0.2
119.03517	0.5
125.02557	0.2
145.05109	0.6
149.09737	0.4
152.99586	0.9
161.04550	1.7
161.05450	0.2
163.11334	0.8
167.10802	2.0
177.12909	0.3
179.05641	0.4
179.10828	0.8
179.14423	2.1
181.12328	0.4
195.13918	6.7
196.14279	0.5
205.12341	7.0
206.12703	0.5
207.10252	1.5
223.13393	71.8
224.13745	5.7
225.11287	1.7
229.33600	0.2
233.22743	0.3
235.05792	0.2
235.08203	4.8
241.01141	1.2
253.09276	8.8
255.23251	1.8
275.20126	0.4
277.21710	100.0
278.22055	11.2
441.21323	3.0
442.21832	0.5
459.22342	7.2
460.22696	1.2
466.79947	0.2
482.59436	0.2
513.30688	2.2
514.30945	0.6
719.44128	2.5
720.43872	0.7
779.39886	4.0
780.40576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01382	1.0
61.98827	5.5
63.02398	2.6
65.00323	6.8
66.00665	0.3
66.79545	0.2
71.01378	1.0
72.99310	0.3
73.02950	0.5
75.00851	0.2
75.08949	0.1
81.03401	0.2
83.01390	4.7
85.02948	0.5
87.00871	0.3
87.04523	0.5
88.98817	1.8
89.02467	0.4
91.06946	0.2
91.87927	0.2
93.03464	6.2
94.03810	0.2
96.96028	0.4
97.02966	0.3
98.19868	0.4
99.92594	0.2
101.02464	0.7
101.80508	0.2
107.01398	11.8
108.01713	0.6
108.02289	0.3
108.99323	0.2
109.02975	0.7
113.02451	0.4
116.92868	2.2
117.01942	0.2
117.03550	0.4
117.92896	0.2
119.05038	29.2
120.05379	2.2
121.02965	0.6
121.05566	0.2
123.04562	0.4
124.01626	0.2
125.02457	3.1
128.33777	0.2
133.02974	0.3
135.04549	0.4
136.01726	0.3
137.02429	1.5
137.09727	0.7
138.10066	0.2
139.07672	0.2
143.05077	0.5
145.02991	1.7
147.04546	0.2
149.02434	0.5
149.04471	0.2
150.03224	0.6
151.00386	44.2
152.00706	2.9
153.00851	0.5
153.01967	0.2
155.10783	3.2
156.11092	0.5
161.02480	0.2
161.06075	0.7
163.00465	0.2
163.03993	0.6
164.01141	0.2
165.01953	2.5
165.05565	0.5
166.02538	0.2
169.01448	2.2
170.01866	0.2
171.10294	0.9
175.00421	0.8
177.01936	5.2
177.03505	0.3
178.02301	0.5
179.03493	0.2
181.07210	2.7
181.08652	0.3
185.06113	1.1
187.03987	1.6
188.04486	0.4
189.01793	0.2
193.01515	0.2
195.06587	0.4
195.10397	0.2
199.07832	0.2
199.09753	4.7
200.10176	0.5
201.11339	0.3
203.07132	0.4
205.01247	0.2
209.11845	1.6
210.12164	0.3
225.11327	0.2
227.07112	1.7
227.12923	0.4
229.05057	0.4
241.10803	1.5
242.11253	0.3
253.10851	0.3
271.06088	100.0
272.06415	13.2
273.06653	3.0
283.11816	1.3
284.12085	0.3
287.05423	0.2
289.07013	0.4
295.06177	1.0
307.08282	0.2
313.07257	0.2
325.65491	0.2
337.07166	0.2
343.13983	5.9
344.14368	0.9
345.15512	4.0
346.15887	0.5
363.16617	4.6
364.16776	0.3
370.18808	0.2
379.73123	0.2
387.14957	0.2
389.51447	0.2
397.13562	0.3
405.17670	0.6
477.19302	0.2
507.20813	2.8
615.20880	0.8
616.21429	0.7
617.21881	1.6
659.22888	0.2
779.27234	2.1
780.29010	0.3
786.07629	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71898	0.1
59.01380	0.3
60.99308	16.6
61.98835	2.1
70.89192	0.3
71.01384	1.0
72.99322	0.1
73.02948	0.1
83.03471	0.1
83.05038	0.2
87.00889	0.4
88.00404	0.4
88.98815	100.0
89.02449	1.0
89.99143	1.1
93.03492	0.3
96.96037	0.2
98.87650	0.1
101.02448	0.1
109.02969	0.4
109.06646	0.1
113.02475	0.1
116.92867	0.4
118.83057	0.1
119.05029	0.2
121.02942	0.1
123.04520	0.3
125.02435	0.4
130.63245	0.1
135.04521	0.2
137.02458	0.3
145.02974	0.1
151.00357	0.4
153.01921	0.2
153.05504	0.2
161.02414	0.1
163.11241	0.2
165.01872	0.2
171.10251	0.4
177.01907	0.1
177.84630	0.1
199.38051	0.1
207.10236	0.4
209.11816	1.3
210.12257	0.1
212.30365	0.1
218.14333	0.1
225.11195	0.2
227.12877	0.2
271.06076	0.8
272.06219	0.1
285.03842	0.2
287.05496	0.2
444.06015	0.1
541.14825	0.1
701.75867	0.1
750.17560	0.1
779.38971	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52995	0.2
57.03435	0.5
59.01378	0.7
61.98832	2.8
63.02396	2.2
64.77634	0.2
65.00323	5.8
69.25452	1.8
71.01379	0.9
73.02955	0.3
78.95943	0.1
81.03467	0.3
83.01392	3.8
83.05023	0.3
84.26087	0.1
85.02937	0.4
87.00887	0.2
87.04535	0.4
88.98806	0.6
89.02442	0.3
93.03466	6.4
93.46906	0.1
93.73441	0.1
97.02973	0.3
101.02452	1.5
107.01401	11.3
109.02978	0.5
109.49771	0.1
110.05704	0.1
113.02447	0.3
116.92840	0.4
117.03481	0.4
119.05041	26.4
120.05356	1.2
121.02943	0.5
123.04543	0.3
125.02454	3.1
126.02783	0.3
131.01443	0.2
133.02969	0.4
135.00911	0.2
135.04506	0.4
137.02437	0.6
137.09744	0.6
143.05020	0.6
145.02982	1.7
146.03368	0.2
149.02422	0.4
151.00386	41.3
152.00720	1.5
155.10811	3.6
161.02457	0.4
161.06076	0.7
163.04115	0.3
165.01959	2.3
167.03375	0.2
168.00677	0.2
169.01457	1.8
169.12350	0.2
175.00374	1.0
175.04031	0.2
177.01944	5.4
178.02367	0.2
179.10725	0.2
181.08742	0.5
184.05254	0.2
185.06097	1.0
187.03973	1.6
187.79083	0.1
189.01782	0.2
193.01411	0.5
195.10248	0.2
197.08379	0.2
199.07983	0.2
199.09760	5.9
200.09973	0.3
203.07141	0.2
206.02257	0.2
209.11836	5.5
210.12169	0.5
213.11322	0.4
225.11362	0.2
227.07123	1.7
227.12804	0.9
229.05054	0.3
235.08118	0.2
241.10739	2.0
242.11212	0.2
245.04272	0.2
253.10973	0.3
270.01874	0.2
271.06094	100.0
272.06421	8.5
283.11877	2.6
287.05603	0.4
289.07172	0.4
295.06085	0.6
306.32172	0.2
313.07257	0.5
325.12897	0.3
341.12411	0.5
343.13986	11.0
344.14566	1.1
355.08383	0.2
361.14810	0.2
370.10449	0.3
385.13287	0.6
433.11438	0.3
597.19653	0.3
613.19275	0.3
615.20953	13.2
616.21301	2.8
657.22021	1.6
658.22040	0.4
714.21118	0.2
718.23865	0.2
777.26392	0.3
777.40082	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	777.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	1.9
69.03446	2.0
71.01378	1.3
75.40320	0.8
78.95904	83.4
79.95745	0.8
80.96521	6.2
83.02554	0.8
85.06590	0.8
94.98090	1.4
96.96967	17.1
97.02955	0.8
100.95979	0.9
134.98624	1.1
152.99609	23.1
153.99919	1.2
164.98659	2.0
167.10739	3.2
179.10632	1.2
179.14384	3.4
186.59891	0.8
195.13916	11.5
196.14232	1.0
196.89522	2.2
205.12335	6.8
206.12654	0.9
223.00101	7.0
223.13383	31.0
224.13629	2.7
225.00626	1.7
241.01167	34.3
242.01541	1.1
255.23260	60.7
256.23602	7.2
259.02136	1.6
293.21082	1.2
294.21625	1.2
297.03662	1.3
315.04739	0.8
359.12592	2.0
391.22568	4.5
521.17725	1.4
540.25482	1.2
541.26270	1.3
553.27905	4.6
554.27991	1.1
659.38861	1.1
777.41968	100.0
778.42444	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59926	1.5
58.23701	1.7
59.01352	3.9
61.98825	27.2
68.79692	1.8
71.01390	3.3
78.95892	13.4
79.97919	1.6
83.04990	1.9
87.68285	1.5
96.96026	2.2
101.02456	2.0
116.92844	2.3
117.92683	1.9
152.99576	5.3
171.04930	1.5
171.10292	7.8
195.13876	3.7
209.11815	77.0
210.12085	4.3
211.13435	2.0
223.13298	2.4
227.12886	15.2
228.13232	2.3
230.28720	2.6
235.08202	2.7
253.09282	21.7
275.20221	6.0
293.21204	100.0
294.21597	11.0
307.19006	1.9
445.20966	4.6
529.30225	5.7
530.30103	1.6
639.18365	2.8
775.40607	50.0
776.40894	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46773	0.1
60.04285	0.1
60.73073	0.1
61.98830	100.0
62.98525	0.2
71.08945	0.3
74.32292	0.1
78.95938	0.1
80.50234	0.1
87.72916	0.1
190.05486	0.2
407.17618	0.1
539.73151	0.1
805.63702	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42891	0.2
61.98828	100.0
62.98540	0.2
70.82039	0.2
70.82397	0.4
71.41356	0.2
75.61319	0.1
78.95898	0.2
89.23602	0.1
108.44858	0.1
124.41896	0.1
322.72009	0.1
389.75449	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	777.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01379	2.6
59.78914	0.3
71.01375	2.9
71.20347	0.6
72.99323	0.7
73.02957	3.2
75.00874	0.6
81.61710	0.2
83.01404	0.8
85.02962	0.9
87.00881	10.7
89.02453	1.6
89.67181	0.3
89.73270	0.2
93.03468	1.1
96.89186	0.2
97.02961	0.3
99.00858	1.5
101.02459	2.1
105.01947	14.0
107.01429	0.3
109.02974	1.3
113.02425	0.5
117.01921	0.4
117.03473	0.6
119.05040	95.5
120.04527	0.3
120.05372	4.4
121.02966	0.8
123.04559	1.0
125.02465	5.3
126.02791	0.3
133.03017	0.3
135.02980	0.7
135.04527	0.7
137.02469	1.6
139.04024	0.5
145.02997	1.8
147.03006	3.3
149.02429	0.9
151.00380	0.9
151.03987	1.5
153.01941	1.1
155.09355	0.2
159.04478	0.5
161.02467	0.6
161.06044	0.4
163.04024	100.0
164.04359	5.0
165.04054	95.2
166.04404	2.7
173.04568	0.9
175.03976	0.6
177.01968	1.1
178.99887	0.8
179.03526	1.0
179.05603	0.3
180.04346	0.3
181.01398	0.5
191.03699	0.3
191.05605	1.1
193.05199	0.3
195.06737	0.4
199.04099	0.3
203.07106	0.6
205.05028	0.7
210.37306	0.2
245.08096	0.7
259.06027	0.4
275.05588	1.0
285.04025	2.4
287.09485	0.4
289.07150	3.1
293.12350	0.5
303.05118	7.8
304.05414	0.6
311.07706	31.5
312.08044	2.6
315.08820	0.4
323.13583	1.5
324.13660	0.4
325.13989	0.4
331.08249	0.7
341.05380	0.4
353.08618	0.6
371.13370	0.7
451.12466	1.2
452.13370	0.3
465.10245	1.7
487.14575	0.7
777.22626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.30151	0.5
59.01373	0.6
69.03477	1.0
71.05049	0.8
78.95907	56.3
95.05042	0.7
96.96970	6.0
97.02969	1.2
97.06595	0.9
104.15491	0.6
109.06618	0.8
111.08163	7.5
119.08698	0.7
121.10249	0.8
125.09763	2.4
127.07697	0.6
136.14081	0.5
137.09752	1.8
150.98022	1.2
151.11328	0.7
152.99609	73.0
153.09294	0.6
153.12880	0.5
153.99985	1.2
158.08505	0.6
163.11366	1.1
165.12830	1.3
167.14502	0.6
169.12370	3.9
171.00671	7.2
171.10266	4.3
181.12395	1.8
183.13965	0.6
185.11845	2.3
195.13989	0.7
197.11844	33.4
198.12201	2.2
199.13405	1.5
209.02222	0.7
209.11836	0.9
211.13390	16.2
212.13696	0.7
223.13481	0.9
227.03268	7.0
227.12907	1.4
245.04333	1.9
247.20634	1.8
253.21703	27.2
254.21982	2.6
255.23207	6.9
256.23431	0.9
263.20111	1.6
273.18579	1.4
289.18097	1.7
291.19644	20.6
292.19995	2.2
309.20721	13.5
310.21014	0.9
382.80719	0.5
383.78253	0.6
443.18423	0.6
445.19876	5.1
446.20078	0.7
519.23730	4.3
536.23431	1.2
537.24609	100.0
538.24921	15.0
599.88300	0.6
773.46307	87.5
774.46661	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.8
59.01382	10.9
61.98834	2.9
64.16609	0.4
64.36934	0.5
67.01892	0.8
68.69821	0.5
68.99823	0.8
69.03479	0.9
71.01382	23.8
71.59217	0.5
72.01714	0.7
72.99321	3.5
73.02939	2.5
74.09496	0.5
75.00879	11.1
83.01362	0.8
85.02957	17.9
86.03318	0.6
87.00892	5.7
89.02446	4.8
91.03999	0.6
91.05547	6.1
92.05920	0.4
93.03477	2.3
95.01403	4.5
97.02972	0.7
99.00888	5.8
101.02457	2.0
103.00385	1.3
108.26594	0.4
109.02976	1.4
111.00878	0.7
112.01656	0.5
113.02468	21.9
113.03265	1.1
114.02829	0.6
115.00386	6.6
117.01957	1.5
117.03487	2.2
117.56006	0.5
119.03484	0.7
119.05017	0.8
121.02970	64.9
122.03289	4.0
123.04643	0.4
125.02459	1.7
127.03984	0.5
129.01987	1.6
131.03526	0.8
133.02980	0.7
135.04550	6.4
137.02467	3.5
138.05646	0.5
139.00446	0.5
145.03030	1.0
151.04080	0.5
155.10803	1.1
161.02464	2.6
161.04544	0.7
165.01900	0.7
173.04530	0.7
175.02469	2.1
175.03957	0.6
177.05536	0.6
179.03470	0.6
179.10757	0.9
191.03926	0.6
191.05612	3.1
205.07166	1.1
207.05057	1.1
231.05080	1.1
237.04059	11.2
238.04411	0.9
245.40224	0.5
249.06140	19.7
250.06538	1.6
250.60121	0.6
267.07202	56.7
268.07550	4.1
327.08826	0.9
385.11404	100.0
386.11792	13.6
387.12164	1.4
519.15503	0.8
537.16205	2.5
595.13629	0.7
775.27136	0.7
786.42828	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
57.03445	1.5
58.00596	0.3
59.01374	4.8
61.98828	4.4
68.99831	0.2
69.03449	1.4
69.30746	1.6
71.01383	7.3
71.05036	0.3
72.99306	0.4
73.02942	1.0
78.95911	0.4
80.02679	0.9
81.03459	1.4
82.63451	0.1
83.01395	1.1
83.05032	4.5
84.02173	0.8
85.02953	5.9
87.00874	1.0
88.98820	0.8
89.02454	2.8
91.04032	0.2
93.03478	0.4
95.01382	0.4
95.05022	1.0
96.96032	1.1
96.96952	0.2
97.02953	1.8
97.06593	1.2
99.00894	0.7
99.04513	0.2
101.02452	5.0
109.02962	0.3
109.06605	1.8
110.03783	0.4
111.00847	0.2
111.04522	0.2
111.08187	0.2
113.02454	2.2
113.88349	0.2
116.92856	1.5
119.03516	1.1
119.08638	0.4
121.02983	0.2
121.06660	0.2
123.04500	0.3
123.08204	0.2
125.02444	0.9
125.06105	0.6
125.09761	0.8
127.11272	1.0
133.05086	0.4
135.08189	1.0
137.02467	0.6
137.09741	1.8
143.03499	0.4
145.05080	0.5
149.02443	0.3
149.09729	0.2
150.03299	0.2
151.00406	0.5
151.04013	0.4
153.09229	0.2
155.10803	0.6
155.14514	0.2
161.04593	2.2
161.09703	0.2
163.11304	4.3
164.11690	0.3
165.01929	0.3
165.12866	2.6
166.13232	0.2
167.03513	0.2
167.14389	0.3
171.10281	16.8
172.10724	0.8
177.12805	0.4
179.05614	0.8
179.10841	0.2
181.12381	1.2
183.13889	1.6
185.11897	0.4
187.06055	0.2
191.10764	0.6
193.12286	0.4
197.11864	0.6
199.13385	0.7
201.11296	1.1
205.08826	0.2
207.10281	3.3
208.10551	0.2
209.11827	100.0
210.12183	6.8
211.13388	7.4
212.13765	0.3
213.11244	0.2
221.11807	1.4
223.13367	0.2
225.11287	2.8
226.11716	0.3
227.12880	12.3
228.13165	0.6
229.14424	5.3
230.14854	0.4
235.08215	9.7
236.08511	0.4
239.12875	0.9
243.12300	0.5
247.20686	0.2
253.09276	19.4
254.09619	0.8
271.06070	0.5
289.07297	0.3
291.19656	2.7
292.19904	0.3
309.20709	7.2
310.21088	0.8
325.20248	0.2
327.21750	58.6
328.22107	6.2
349.55194	0.2
351.22101	0.2
407.18802	0.2
445.20828	2.5
446.21219	0.3
461.20325	0.7
463.22119	0.4
519.33319	1.2
520.33447	0.3
537.34161	0.6
545.29602	1.8
546.30377	0.2
563.30762	3.4
563.38873	0.3
564.31232	0.8
611.32513	0.3
618.09058	0.2
773.36768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02060	0.2
59.01373	0.3
60.08522	0.1
61.98832	100.0
62.98540	0.2
70.89425	0.2
71.01381	0.3
71.65060	0.3
76.15653	0.2
78.95916	1.0
80.25692	0.2
99.92603	0.9
116.92878	8.9
117.01955	0.2
117.92882	3.0
118.92683	0.4
122.18207	0.2
145.43338	0.2
152.99623	0.4
171.10329	0.3
172.10722	0.2
195.14037	0.2
197.11897	0.2
207.10190	0.3
210.21159	0.2
253.09288	0.2
277.21707	0.3
293.21271	0.2
772.43530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.8
61.98828	92.4
65.83502	2.6
67.71603	1.9
71.01390	11.0
72.99327	2.4
73.02943	3.5
75.00863	2.6
78.95915	5.9
81.03461	2.8
83.01434	2.3
83.05023	3.6
85.02982	4.1
88.98811	10.3
89.02456	6.6
93.03474	5.8
95.05003	2.5
96.96017	17.4
96.96976	6.9
97.02936	2.4
99.92592	5.3
101.02477	7.4
107.01360	3.2
108.02168	2.0
109.02937	6.2
113.02465	5.3
116.92868	69.5
117.92844	5.1
119.05000	4.9
121.02945	4.4
122.03721	2.6
123.04545	7.5
124.01666	2.9
125.02467	11.2
134.03741	2.3
135.00850	2.6
135.04573	3.9
137.02457	16.2
138.11972	2.3
145.02914	3.7
151.00386	9.8
151.03896	2.1
152.99667	2.6
153.01843	2.7
155.10674	2.7
161.02486	3.3
161.05917	2.1
163.11195	2.2
165.01929	8.8
165.12862	14.9
171.10277	4.6
175.03981	4.5
179.03542	2.8
181.12349	2.4
183.13902	63.1
184.14270	7.5
186.46086	2.1
193.05054	3.1
203.07172	3.1
205.05223	2.4
209.11832	78.9
210.12186	4.7
227.12885	100.0
228.13199	6.7
245.08099	2.4
253.09247	6.5
269.86255	2.4
271.06128	8.9
283.19238	2.6
286.04782	3.0
287.05548	3.7
289.07184	7.8
327.21851	11.4
383.11307	8.0
445.20859	7.5
448.10236	3.6
463.21750	4.2
467.39355	2.5
611.31836	2.8
637.32678	4.1
673.34601	4.6
729.32184	2.4
773.37634	41.4
774.37976	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	771.4561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01371	6.0
61.98828	6.3
69.03462	0.8
69.39331	1.7
69.39730	4.2
71.01378	7.0
73.02932	1.5
75.00883	0.6
78.95899	6.0
83.01358	0.8
83.05019	4.3
84.02151	1.3
85.02956	1.6
87.00867	2.3
89.02451	2.9
96.96967	0.9
97.02980	0.6
97.06551	0.8
100.48736	0.6
101.02428	4.1
109.06612	1.1
111.08172	1.2
113.02465	2.7
119.03490	1.6
121.20623	0.7
125.02496	3.4
125.03250	0.6
125.09734	0.6
137.02429	1.1
151.11340	0.9
152.99570	2.2
153.13112	0.6
161.04549	2.6
163.11302	3.8
165.12822	3.4
169.12375	1.2
171.10243	6.2
179.05539	1.1
181.12320	0.8
183.13901	16.1
184.14261	0.8
191.10764	1.3
193.25677	0.6
195.13956	5.0
197.11821	5.3
201.11330	1.7
207.10255	3.0
208.26898	0.7
209.11830	100.0
210.12164	7.1
211.13385	2.0
223.13420	4.0
225.11305	2.8
227.12886	14.2
228.13295	1.6
235.08199	3.8
250.77255	0.7
253.09279	18.9
254.09727	1.3
275.20111	7.8
276.20624	0.8
289.18097	1.6
291.19748	3.5
293.21210	74.5
294.21518	7.9
307.19229	2.6
309.20764	2.6
327.21729	1.6
445.20676	2.5
463.21826	1.2
529.29926	1.1
530.31219	0.7
698.40753	1.0
753.41028	1.9
754.41705	1.0
771.40924	5.6
772.42297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
56.86459	0.6
57.03449	3.4
58.00591	1.8
58.42764	0.6
59.01085	1.3
59.01375	15.2
61.42651	0.6
61.98824	2.0
69.03458	2.7
70.63069	2.3
71.01382	38.0
71.05026	0.9
72.99294	1.2
73.02945	5.9
75.86726	0.6
80.02687	2.1
81.03451	3.6
82.08569	0.6
83.01416	3.8
83.05027	8.2
84.02153	1.2
85.02948	6.7
85.06612	0.7
87.00877	5.8
88.98808	0.8
89.02457	9.0
91.04044	0.8
93.03448	1.4
95.01418	1.7
95.05041	4.3
97.02962	11.0
97.06581	4.9
98.01144	0.6
99.00886	2.7
101.02459	9.7
106.04262	1.1
107.05067	1.2
109.02988	1.0
109.06607	9.5
110.03737	0.8
111.00900	2.2
111.04518	0.9
111.08170	3.7
113.02466	7.6
119.03509	2.3
119.08690	1.3
121.06583	0.9
123.04524	1.8
123.08136	2.1
125.02454	1.4
125.06136	1.4
125.09727	8.8
127.11259	3.1
135.08154	1.8
137.02496	1.1
137.09721	5.0
139.07668	2.5
139.11298	0.7
141.01958	1.2
141.09184	0.8
141.12892	1.1
143.03511	1.9
145.05093	2.2
149.09712	1.0
151.11304	1.8
151.73804	0.6
153.09218	1.7
153.12827	1.7
155.10806	2.4
157.12453	0.6
161.04578	5.6
161.09735	2.2
163.10023	1.2
163.11304	16.0
164.11684	1.2
165.09242	2.3
165.12849	10.6
166.09886	0.7
167.10791	2.1
169.12354	1.7
171.10283	77.0
172.10620	2.8
177.12839	1.0
179.05597	1.3
179.10730	1.4
179.14461	0.8
181.12354	6.6
183.10262	1.1
183.13867	0.8
185.11841	9.8
189.09209	2.3
191.10794	1.7
191.14452	3.6
193.12354	1.0
193.16061	1.5
196.57024	0.7
197.11841	15.3
199.09686	1.3
199.13451	1.7
201.11324	32.6
202.11685	1.7
207.10262	31.8
208.10614	2.2
209.11832	100.0
210.12128	6.6
211.13406	4.9
215.12866	3.6
217.15901	1.0
223.09851	1.0
223.13408	2.0
225.11308	53.5
226.11728	4.3
227.12871	16.0
228.13139	0.9
235.08220	9.6
235.13448	0.6
237.11378	1.3
243.12297	3.2
245.19005	6.7
247.20651	3.9
253.09265	31.9
254.09630	2.2
263.20172	1.5
273.18515	1.8
289.18091	19.5
290.18408	2.0
291.19638	54.7
292.19885	5.7
293.21246	1.4
295.10339	2.2
307.19116	15.0
308.19443	1.9
309.20694	92.7
310.21075	10.1
342.49030	0.8
404.78506	0.8
407.19186	0.9
443.19315	3.4
461.20151	8.0
462.20779	1.0
479.21164	1.4
545.29791	1.7
587.30695	1.5
674.85193	0.7
689.91602	0.8
753.41150	5.9
754.40967	2.2
771.42358	3.3
772.42194	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99665	0.1
61.98827	100.0
62.98527	0.1
62.99276	0.1
69.80081	0.4
73.61705	0.1
75.73009	0.1
75.76119	0.1
98.20560	0.1
106.22765	0.1
123.45757	0.1
133.00833	0.1
139.58961	0.1
162.49557	0.1
166.47942	0.1
167.78894	0.1
183.60179	0.1
211.13431	0.2
212.13779	0.2
213.13953	0.2
253.56956	0.1
277.21753	0.2
278.22253	0.2
594.78461	0.1
676.79132	0.1
771.42346	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	771.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03444	1.6
58.00593	0.2
59.01097	0.4
59.01375	4.7
61.98829	12.7
65.03957	0.2
69.03445	1.1
69.85742	0.2
71.01382	4.9
71.05023	1.7
71.58876	0.2
72.49218	0.2
72.99307	0.5
73.02954	0.8
78.95908	0.4
80.02686	1.5
80.91685	0.3
81.03471	1.3
83.01392	0.9
83.05029	5.5
84.02174	1.1
84.05383	0.3
85.02937	2.3
85.06605	0.2
87.00888	0.9
88.98800	0.4
89.02443	2.7
91.04025	0.2
91.05541	0.3
93.03474	0.5
95.01395	0.5
95.05038	1.1
96.96024	0.7
96.96978	0.2
97.02971	1.8
97.06596	1.7
98.82887	0.2
99.00897	0.7
99.04534	0.3
101.02451	4.0
107.01423	0.3
107.05050	0.5
108.02167	0.2
109.02985	0.5
109.06597	9.8
110.06947	0.4
111.08201	0.3
112.71035	0.2
113.02460	2.2
113.06075	0.2
114.93448	0.3
115.04005	0.3
115.07661	0.6
116.92889	0.9
119.03526	0.8
119.05063	0.5
121.02987	0.4
123.04543	0.4
123.08172	0.3
125.02439	1.4
125.06126	0.7
125.09720	0.6
127.07668	1.4
133.05054	0.2
135.08174	0.8
137.02478	0.8
137.09703	0.4
142.02753	0.2
143.03467	0.4
145.05064	0.6
150.03206	0.3
151.00374	0.9
151.03934	0.4
151.11307	0.5
153.09219	0.5
153.12831	0.6
161.02480	0.4
161.04590	1.5
161.05817	0.3
161.09697	0.4
163.11290	5.6
164.01207	0.3
165.01834	0.3
165.12849	2.3
168.00677	0.4
169.12381	1.8
171.10287	5.1
172.10637	0.2
179.05620	0.7
179.10788	0.5
181.12373	2.1
183.13947	0.9
185.11807	0.2
191.10794	0.8
191.14407	0.3
193.12228	0.5
197.11833	13.5
198.12170	1.0
199.13350	1.4
201.11327	0.9
205.15877	0.3
207.10280	5.9
208.10751	0.3
209.11836	100.0
210.12166	6.6
211.13393	9.5
212.13695	0.5
219.13850	0.2
221.11897	0.3
225.11308	3.6
225.13297	0.3
226.11723	0.4
227.12889	11.8
228.13251	0.6
229.14417	0.7
235.08232	3.9
235.13348	2.5
236.13733	0.3
237.14990	1.3
245.19043	0.2
249.14967	0.7
251.16440	0.3
253.09279	14.5
254.09520	0.6
267.15933	0.3
271.06039	1.2
289.07053	0.5
289.18054	2.2
290.18585	0.2
291.19684	0.9
307.19205	2.7
308.19333	0.4
309.20706	1.7
310.21008	0.3
325.20190	34.4
326.20502	3.9
327.21759	5.0
328.22015	0.6
343.21274	0.4
391.92426	0.2
443.19144	0.4
445.20715	1.6
450.87589	0.3
461.20227	0.8
487.30576	0.4
517.31464	0.4
543.28040	0.6
545.29608	0.2
561.29279	1.6
562.29956	0.2
563.30707	0.4
740.45343	0.2
753.40546	0.8
754.40662	0.3
771.43005	2.7
772.42847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.0
56.69921	0.4
57.03407	2.4
58.00569	0.7
59.01373	6.1
61.98825	5.7
69.03453	3.8
69.77040	0.5
71.01389	7.3
71.05031	1.3
72.99300	1.8
73.02945	1.0
75.00883	2.4
76.90382	0.4
83.01389	0.7
83.05025	1.2
85.02950	4.2
87.00880	1.9
89.02435	2.2
95.01388	1.2
95.05021	0.5
97.02955	0.9
97.06588	1.6
99.00903	2.9
101.02438	4.2
107.05099	0.4
109.02978	0.5
109.06609	1.3
111.04510	0.5
111.08173	5.4
113.02463	3.4
115.00420	0.6
115.27348	0.5
116.73314	0.4
116.92895	0.7
119.03560	0.6
123.08167	1.1
125.02470	0.6
125.06155	0.5
125.09710	2.6
135.08179	0.8
142.02817	0.4
143.03519	0.5
151.11295	2.6
153.12874	1.7
157.01479	0.5
161.04575	0.8
161.09744	2.7
162.14015	0.4
163.11293	2.0
165.12814	0.6
167.10724	0.5
169.12363	3.4
171.10283	3.8
179.05646	0.8
179.10779	6.1
181.12370	2.0
183.13872	1.0
197.11835	68.9
198.12167	4.6
199.13367	2.3
201.11336	0.7
207.10248	2.5
209.11813	9.9
211.13412	3.1
223.09744	1.5
223.13359	0.7
225.11325	4.3
227.12872	1.5
230.20403	0.7
235.08182	0.8
241.10785	3.0
243.12370	1.9
249.06232	0.5
253.09273	3.4
263.20181	1.3
271.80615	0.4
278.94818	0.5
289.18237	1.1
291.19724	2.9
307.19125	1.1
309.20648	3.9
310.21155	0.5
459.19073	0.7
461.20111	0.7
477.19876	1.4
479.21423	0.9
487.33676	1.0
513.28534	12.1
514.28912	1.9
547.36310	1.7
548.36530	0.9
561.55530	0.6
586.26709	0.5
636.98993	0.5
671.32819	0.8
751.39813	1.3
769.40393	100.0
770.40771	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11900	0.1
56.93525	0.1
61.98829	100.0
62.98536	0.2
67.03526	0.1
70.30822	0.2
71.01382	0.1
77.01780	0.1
78.95953	0.1
104.41086	0.1
125.02428	0.1
137.02513	0.1
165.01974	0.1
218.69150	0.1
238.07292	0.1
285.24588	0.1
770.00293	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	769.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03451	2.1
58.00601	0.5
59.01382	7.4
60.29163	0.3
61.98828	9.7
65.03980	0.4
65.85819	0.4
68.58585	0.4
69.03458	4.7
71.01384	7.8
71.05021	1.9
71.63261	0.5
71.63638	0.5
71.79418	0.3
71.83859	0.3
72.99303	1.2
73.02931	1.9
75.00871	2.4
78.95922	0.8
80.02709	0.5
81.03454	0.8
83.01373	0.7
83.05029	1.6
84.02174	0.5
85.02962	4.0
87.00875	1.8
89.02466	2.6
95.01395	1.6
95.05036	0.6
97.02969	1.9
97.06596	1.5
99.00881	2.4
101.02462	3.5
108.02184	0.5
109.02991	0.5
109.06590	1.1
111.04577	0.5
111.08157	4.3
113.02465	4.7
116.92859	4.0
117.01948	0.4
117.92936	0.3
119.03520	0.6
121.06630	0.5
123.04503	0.4
123.08196	1.4
125.02448	0.9
125.06097	0.4
125.09743	3.2
127.07632	0.5
129.01860	0.5
135.08215	0.9
137.02437	0.5
137.09758	1.1
143.03539	0.4
145.05115	0.5
149.09732	0.7
149.54965	0.4
151.11284	2.9
153.12848	1.9
157.01364	0.5
161.04549	1.4
161.09723	3.3
163.11288	1.9
165.12843	1.8
169.12354	3.1
171.10284	4.8
177.12837	0.4
179.05461	0.4
179.10777	6.5
180.11160	0.6
181.12373	1.1
183.13922	0.6
185.11806	0.9
195.13968	1.1
197.11833	78.0
198.12146	5.3
199.13435	1.3
201.11330	1.0
207.10271	0.9
209.11833	16.3
210.12195	1.1
211.13412	2.7
213.11240	0.4
223.09775	2.3
223.13399	1.0
225.11324	2.1
227.12895	2.4
235.08186	1.6
235.13361	0.8
241.10797	2.9
247.13338	0.9
247.20650	0.7
253.09239	3.7
253.75824	0.4
261.18439	0.6
263.20166	1.1
287.16495	0.8
289.18130	2.6
291.19632	4.7
292.20078	0.8
305.17563	1.8
307.19244	0.9
309.20602	4.2
310.21045	0.6
327.21860	1.1
424.53839	0.5
424.76718	0.4
445.29666	2.1
459.18851	1.2
477.19867	1.5
503.30115	0.7
594.16058	0.5
751.39545	1.1
769.40393	100.0
770.40759	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	767.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72372	0.2
57.09259	0.1
59.01376	0.5
61.98830	100.0
62.79946	0.2
71.60482	0.3
78.95917	1.1
83.05019	0.4
133.32610	0.1
148.90860	0.2
152.99646	0.4
209.11865	2.1
210.12201	0.6
227.12897	0.3
242.14970	0.2
255.23254	1.6
256.23706	0.6
268.15829	0.2
277.21921	0.2
282.25381	0.2
293.21234	0.7
294.21716	0.4
295.23053	0.2
302.27643	0.2
317.93152	0.2
458.01883	0.2
619.37396	0.2
690.43652	2.9
691.44623	0.7
692.44305	0.2
693.44293	1.2
717.46088	0.2
767.46539	0.9
768.47827	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
59.01375	0.5
60.99306	0.2
61.98828	100.0
62.98523	0.3
63.99266	0.2
65.00320	0.3
69.03467	0.1
69.74694	0.1
70.50294	0.5
71.01373	0.8
73.02960	0.1
75.00885	0.1
78.91856	0.1
78.95906	1.0
79.95766	0.1
83.01396	0.3
83.05018	0.2
88.98801	0.9
89.02471	0.3
93.03453	0.3
96.96018	3.4
96.96941	0.8
97.02968	0.1
101.02490	0.3
103.00460	0.1
107.01408	0.4
108.02254	0.2
109.02998	0.4
109.06596	0.2
116.92854	1.0
119.05053	0.5
121.02969	0.2
122.03740	0.2
123.04540	0.5
124.01691	0.3
125.02464	1.3
135.04613	0.2
137.02434	1.0
145.02977	0.2
149.02528	0.2
150.03270	0.2
151.00388	1.1
151.04033	0.5
152.00693	0.1
161.02477	0.6
161.06073	0.1
162.03056	0.1
163.04065	0.1
163.11377	0.2
164.01199	0.4
165.01926	0.6
171.10329	0.2
175.03958	0.1
176.01180	0.1
177.01973	0.3
179.03552	0.2
187.04004	0.2
188.04807	0.1
197.11826	0.2
199.03967	0.2
203.07130	0.4
203.75186	0.1
205.05188	0.3
205.48753	0.1
207.10347	0.4
209.11853	0.8
211.13441	0.3
223.09756	0.1
225.11400	0.4
229.05017	0.1
236.36708	0.1
243.03183	0.1
245.08200	0.1
253.09361	0.2
271.06070	2.3
272.06497	0.6
289.07144	1.1
290.07028	0.2
317.17471	0.2
335.23447	0.1
336.98459	0.1
385.12656	0.1
403.76715	0.1
451.10773	0.2
599.22394	0.2
607.28967	0.3
616.22992	0.2
674.33136	0.2
769.35162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80371	0.1
57.03465	0.1
59.01380	0.3
60.99314	0.1
61.35422	0.1
61.98828	100.0
62.98532	0.1
65.00304	0.1
65.65346	0.1
66.84991	0.1
69.47197	0.7
71.01395	0.4
72.99296	0.1
75.00843	0.1
78.95916	0.2
83.01388	0.2
83.47582	0.1
87.00880	0.1
88.56916	0.1
88.98808	1.1
89.02462	0.2
93.03468	0.2
96.96037	0.1
101.02405	0.1
107.01411	0.2
108.02152	0.1
109.02977	0.3
113.02430	0.1
116.92887	0.3
119.05061	0.3
123.04533	0.2
125.02460	0.7
135.04524	0.1
137.02492	0.4
149.02457	0.1
151.00386	0.5
151.04053	0.3
161.02473	0.3
165.02008	0.2
171.10313	0.2
175.03937	0.1
177.01930	0.1
178.02753	0.1
182.21124	0.1
188.04726	0.1
197.11877	0.3
207.10249	0.1
209.11838	0.8
225.11453	0.2
227.12965	0.1
245.08385	0.1
271.06116	1.3
285.03983	0.1
287.05527	0.2
289.07224	0.4
368.45154	0.1
549.92773	0.1
615.23157	0.1
766.37177	0.1
767.37262	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	767.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
59.01377	14.7
61.98836	10.6
67.14016	1.4
67.84440	1.4
69.03456	6.0
71.01379	15.6
71.05032	1.7
71.56691	1.2
71.58732	2.1
72.99295	1.8
73.02950	3.6
78.95901	3.0
80.02693	2.5
81.03442	2.5
83.01394	4.2
83.05033	8.9
85.02950	5.6
85.34605	1.5
87.00859	3.1
89.02457	7.3
95.01375	2.0
95.05023	3.6
97.02931	7.6
97.06587	5.2
101.02460	12.5
109.06567	4.2
110.03725	1.7
111.08167	1.5
113.02460	5.3
116.92876	2.0
119.03519	1.3
121.06600	1.9
123.04541	3.5
123.08171	2.6
125.02444	2.1
125.09751	8.1
137.09666	3.4
142.02727	1.5
143.03516	1.3
145.05101	2.1
161.04565	5.6
161.09610	1.6
163.11240	4.9
165.12823	6.6
167.10777	7.8
171.10298	6.7
175.11250	1.5
177.12831	8.7
179.10764	3.0
179.14380	5.7
181.12399	2.3
183.13918	2.8
185.11897	6.1
191.14436	6.1
193.12384	2.9
195.13942	13.6
196.14172	1.5
197.11839	5.6
203.10712	3.3
205.12329	12.1
206.12617	1.6
207.10219	2.4
209.11864	12.0
211.13399	11.7
221.11826	62.1
222.12134	5.1
223.13380	81.9
224.13754	7.1
225.11435	2.1
227.12860	4.8
235.08159	6.1
237.11121	1.7
239.12872	100.0
240.13275	7.7
245.19083	4.8
247.20648	4.2
253.09271	23.7
263.19901	1.4
273.18600	2.1
273.29016	1.3
289.18066	23.6
290.18384	2.7
291.19644	35.6
292.20013	3.2
307.19122	17.5
309.20721	42.3
310.21036	4.9
313.16302	1.6
331.40399	1.4
345.89624	1.4
457.20642	4.7
459.22098	1.7
471.34637	4.3
472.34860	1.4
475.21912	12.6
682.68817	1.6
767.42090	13.0
768.42529	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	765.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01371	0.9
63.96227	1.5
69.03451	0.6
71.01008	0.5
71.01385	7.5
72.99341	0.3
73.02955	2.0
78.98595	6.2
79.95740	12.5
80.96522	73.1
81.03456	0.9
81.96454	0.4
87.00876	2.7
87.04529	0.3
94.98096	16.6
95.01400	0.4
96.96016	1.0
97.02951	1.4
98.20689	0.6
99.00885	0.7
99.04508	0.4
101.02448	2.7
106.98109	3.2
113.02437	0.6
122.97617	3.3
125.02464	3.0
125.22713	0.3
127.04014	0.6
134.97594	5.5
136.99171	1.5
146.97574	0.5
148.99153	6.4
152.98645	7.0
161.04622	0.4
164.98645	14.4
167.00221	0.5
179.00298	0.4
181.50584	0.2
188.98601	0.5
206.99713	3.1
209.11787	1.8
225.00740	26.8
226.01048	1.0
229.19240	0.3
244.08057	0.2
255.23280	1.5
256.23654	0.3
267.72934	0.3
277.21689	0.7
283.04703	0.3
509.16898	4.2
510.17233	0.8
537.27460	1.6
538.26947	0.3
555.28094	0.5
607.42120	0.3
722.77008	0.3
765.41254	100.0
766.41522	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01367	2.1
61.17091	0.4
61.98836	4.8
67.05897	0.5
69.03460	0.9
71.01373	2.0
71.05020	0.7
71.35036	1.0
71.98167	0.5
73.76105	0.4
78.95930	1.3
79.00098	0.5
80.96526	0.6
83.05054	0.5
83.42201	0.4
85.02992	0.8
87.00916	0.4
89.02477	1.0
97.06602	2.9
99.00881	0.5
101.02435	1.2
106.04232	0.5
109.06589	1.0
113.02499	0.6
116.92865	0.7
121.10244	1.6
125.02470	0.7
151.04048	0.5
152.99641	0.6
167.10843	0.5
171.10283	6.2
171.60376	0.6
177.12837	1.0
195.13896	2.6
197.11906	0.8
203.10849	0.5
203.14279	0.5
205.12305	1.4
209.11757	0.5
211.13374	0.7
221.11909	1.1
223.13400	12.6
224.13794	1.5
229.12244	0.6
235.08238	0.9
235.13397	1.3
237.14986	0.8
239.12872	1.0
243.62625	0.5
247.13322	2.5
253.09303	2.1
265.14359	0.7
275.20154	9.0
276.20538	0.9
287.16470	1.2
289.18042	1.1
293.21228	19.1
294.21561	2.1
305.17627	3.4
341.29681	0.5
389.28592	0.8
391.30118	2.6
392.30463	0.9
405.32019	2.4
406.31824	0.5
407.33234	5.7
408.33545	1.3
437.30478	0.7
439.32205	1.0
441.33740	2.7
451.32196	9.6
452.32404	1.8
453.33722	46.6
454.34067	9.0
459.22678	0.6
471.34821	100.0
472.35193	18.6
472.41974	0.7
584.07928	0.5
765.41394	1.8
766.41809	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99456	0.2
57.03459	0.3
59.01377	17.5
61.98831	3.0
69.48168	2.0
71.01376	0.3
71.05038	0.3
78.95908	24.6
80.02682	1.7
81.03464	2.8
83.01373	1.6
83.05032	8.0
84.02168	1.8
95.05029	1.3
97.06585	0.6
109.06605	0.6
111.08176	0.4
122.98534	0.5
123.08261	0.2
125.00156	1.3
125.06100	0.7
125.09719	1.3
134.98564	0.5
135.08214	1.4
139.68643	0.2
145.10275	0.3
147.11835	0.3
152.99605	3.0
163.11316	7.4
164.11615	0.5
165.12868	4.1
168.04329	6.9
181.12343	1.4
191.10822	3.1
192.11168	0.3
198.76974	0.3
209.11832	86.8
210.12163	5.6
223.13335	2.5
224.06921	5.3
224.13559	0.3
226.12047	1.4
227.12888	11.2
228.13266	1.0
237.22261	0.3
241.14441	14.0
242.14764	1.3
255.23277	71.6
256.23615	6.4
374.81241	0.3
384.70621	0.3
392.24106	0.2
419.25702	1.1
434.19547	0.8
452.20688	0.3
462.29315	0.3
480.30917	3.6
619.36298	2.2
620.36438	0.6
645.38110	1.4
690.43689	100.0
691.44019	24.2
691.56305	0.5
704.45239	9.5
705.46729	2.0
710.52710	0.3
764.40320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
60.99305	16.5
61.98827	2.0
61.99633	0.2
70.96168	0.3
71.01384	0.2
72.99302	0.2
78.95928	0.4
84.00021	0.2
85.02940	0.2
87.00885	0.7
88.00407	1.6
88.98812	100.0
89.02443	8.2
89.99139	1.2
96.42696	0.1
99.92574	0.2
101.02460	0.3
103.25313	0.1
116.92876	1.7
125.02445	0.2
149.49075	0.1
152.99542	0.2
153.92116	0.2
196.03421	0.1
207.10292	0.2
209.11836	0.4
223.13376	0.3
224.46487	0.1
225.11157	0.2
265.17960	0.3
277.21808	0.4
278.22296	0.2
291.19711	0.2
397.13553	0.7
398.14148	0.2
415.14777	0.2
548.45435	0.2
584.11523	0.2
765.40613	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	764.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.1
61.98828	100.0
62.98532	0.2
63.19823	0.1
63.71211	0.1
69.47997	0.1
70.41840	0.3
71.01386	0.3
73.02945	0.1
78.95924	0.1
78.98596	0.2
79.95723	0.5
80.96518	3.0
81.03442	0.1
87.00939	0.1
94.98100	0.7
97.02991	0.1
101.02467	0.2
107.66085	0.1
122.97636	0.2
125.02431	0.2
134.97639	0.3
142.28299	0.1
143.81598	0.1
148.06558	0.1
148.99216	0.3
152.98610	0.2
152.99693	0.2
164.98656	0.6
192.62134	0.1
206.99728	0.1
209.11864	0.2
225.00745	1.3
255.23244	0.2
262.24561	0.1
277.21689	0.2
385.40646	0.1
509.16989	0.2
537.27472	0.1
718.26215	0.1
728.25800	0.1
764.40350	0.1
765.41248	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	764.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98532	0.4
69.43266	0.6
69.43687	1.3
71.01381	0.8
78.95905	0.5
78.98573	0.5
79.95746	0.9
80.96515	6.3
83.60889	0.2
87.00880	0.4
94.98087	1.6
98.20610	0.3
101.58261	0.2
106.98116	0.4
110.18108	0.2
122.97617	0.2
125.02448	0.3
134.97575	0.6
148.99152	0.6
152.98637	0.6
164.98610	1.3
206.99744	0.3
209.11852	0.3
225.00737	2.0
238.95189	0.2
255.23393	0.5
277.21863	0.3
354.39285	0.2
503.88211	0.3
515.57343	0.2
589.79370	0.3
608.95508	0.3
615.74084	0.2
764.51788	0.4
765.41150	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	763.342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
58.00587	0.7
59.01378	20.4
69.58230	2.4
71.01385	12.0
72.01721	0.4
72.99307	1.1
73.02923	0.5
79.66451	0.3
83.01390	0.5
85.02946	2.8
87.00880	0.5
89.02453	12.5
95.01387	0.9
101.02451	8.1
108.02170	0.6
109.02949	0.3
113.02459	5.1
119.03517	4.3
119.04964	0.4
121.02969	0.5
123.04531	0.5
125.02448	0.4
131.03496	0.4
134.03743	1.6
135.04489	1.1
136.05304	1.3
143.03523	1.4
149.04541	0.5
149.06059	0.3
150.03117	0.4
151.04004	0.9
151.07668	0.6
152.01170	0.5
161.02484	1.4
161.04562	1.0
162.03238	39.1
163.03691	2.2
177.05580	100.0
178.05920	5.8
179.05615	4.3
191.05594	0.4
193.05110	0.9
194.05472	0.9
195.06647	21.7
196.06975	1.4
199.09769	0.3
265.40158	0.4
337.37589	0.3
357.11932	17.9
358.12463	1.7
361.15045	3.1
515.71484	0.3
596.04736	0.4
708.80475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.5546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
61.98530	0.6
61.98825	7.5
71.56110	0.6
78.95914	0.6
87.00867	0.4
106.41636	0.4
113.40965	0.5
116.67796	0.4
121.10241	4.2
122.51052	0.4
125.09753	2.2
143.86501	0.4
147.08298	0.5
171.10226	0.5
185.11858	5.0
197.11833	1.7
209.11812	0.5
211.13396	0.8
231.03244	0.5
247.20515	0.5
291.19647	63.6
292.19992	5.7
327.28745	0.4
429.90967	0.5
471.34799	100.0
472.35150	17.6
622.78149	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.1
59.01373	0.1
60.99314	0.1
61.98833	100.0
62.98533	0.2
63.80109	0.1
70.51215	0.1
70.51579	0.2
71.01404	0.1
78.95923	0.1
79.96204	0.1
80.45724	0.1
87.14540	0.1
88.98820	0.5
107.01420	0.1
116.92867	0.1
117.58245	0.1
125.02488	0.1
128.50929	0.1
132.30891	0.1
151.00377	0.1
152.99593	0.1
156.22983	0.1
171.10394	0.1
197.11780	0.1
209.11816	0.3
210.12225	0.2
211.13411	0.1
212.46883	0.1
223.13374	0.1
225.13991	0.1
271.06122	0.1
287.05487	0.1
289.07257	0.1
516.29120	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01342	0.8
61.98833	1.6
63.96227	1.9
69.03455	0.8
70.08051	3.4
71.01385	8.0
73.02943	1.7
73.54485	0.7
78.95898	3.3
78.98592	6.7
79.95737	12.9
80.96520	82.0
83.39899	0.6
85.02949	4.3
87.00866	2.0
94.96297	0.7
94.98094	18.8
96.95997	2.0
97.02955	2.4
99.00895	1.0
101.02435	2.6
106.98064	2.3
122.88383	0.9
122.97619	3.8
125.02447	3.1
127.04005	0.9
134.97600	5.4
136.99091	2.3
148.99130	7.6
152.98605	8.8
152.99632	1.8
164.98633	15.5
167.00255	0.7
186.00212	1.0
206.99649	2.8
209.11832	1.0
211.13257	0.9
225.00732	22.5
255.23262	5.0
283.04697	0.8
505.17410	3.0
505.24014	0.8
522.68494	0.7
525.24396	1.3
537.27368	1.5
761.41687	100.0
762.42090	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96624	0.1
59.01387	0.2
60.99308	16.6
61.98833	3.6
65.00327	0.1
69.87828	0.5
71.01382	0.3
73.02940	0.1
81.03492	0.1
82.53127	0.1
83.01359	0.1
83.05047	0.2
85.02967	0.1
87.00890	0.4
88.00419	0.8
88.01218	0.1
88.98816	100.0
89.02443	2.5
89.99160	1.1
93.03474	0.9
96.96071	0.1
101.02441	0.2
107.01364	0.2
108.61176	0.1
109.02992	0.1
116.92876	0.2
117.03455	0.1
119.05062	0.7
121.02924	0.1
123.04501	0.3
125.02431	0.3
137.02484	0.8
139.22322	0.1
145.02911	0.2
149.02405	0.1
151.00389	0.8
151.03944	0.2
153.01967	0.1
161.04442	0.1
163.03995	0.2
164.01053	0.1
165.01929	0.3
171.10283	0.2
207.10144	0.2
209.11824	2.4
210.12102	0.3
227.12903	0.3
253.09187	0.2
254.09996	0.1
259.05630	0.1
271.06104	1.9
272.06305	0.3
286.30710	0.1
287.05511	0.3
481.31680	0.1
701.29889	0.1
763.35162	0.2
764.32397	0.1
774.32166	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01373	6.0
61.98828	5.1
69.03448	2.2
71.01379	3.9
71.05009	0.7
71.14297	0.7
72.99339	0.4
73.02940	0.5
75.00904	0.4
75.44765	0.3
78.95902	0.8
80.02684	0.8
81.03459	1.2
83.01392	0.7
83.05032	4.5
84.02158	0.6
84.45827	0.3
85.02954	0.8
85.06566	0.5
87.00884	1.6
88.98823	1.2
89.02454	2.7
93.03459	0.8
93.91470	0.3
95.05035	0.9
96.97002	0.3
97.02936	0.4
97.06605	0.4
101.02444	3.3
109.06611	0.6
113.02444	2.0
116.92887	0.5
119.03520	0.6
119.05107	0.3
125.02435	0.8
125.06041	0.6
125.09689	0.7
133.10155	0.3
135.02998	0.7
135.04555	0.4
135.08157	0.7
137.02440	0.4
147.11731	0.4
149.09740	0.5
151.00417	0.4
161.04582	1.5
161.13429	0.4
163.11319	3.5
165.12883	2.0
167.10791	2.9
171.10312	2.6
177.12888	0.4
179.05608	0.7
179.10773	1.2
179.14442	2.5
181.12279	0.4
191.10771	0.9
195.13910	8.2
196.14194	0.6
205.12347	9.0
206.12611	0.5
209.11829	100.0
210.12181	8.0
223.13390	86.0
224.13704	5.9
227.12881	15.8
227.15147	0.7
228.13214	1.3
235.08232	4.2
248.64162	0.3
249.71584	0.4
253.09261	8.0
261.14923	1.9
274.54172	0.3
400.38181	0.3
415.25089	0.5
441.21310	2.3
445.20706	4.8
446.21240	0.8
459.22348	14.8
460.22687	2.3
463.21915	0.6
594.60553	0.4
607.32129	0.4
625.20752	0.6
633.32568	2.6
634.33215	0.7
651.33923	6.3
651.44336	0.6
652.34308	2.1
669.34973	2.4
670.35394	0.4
761.41730	0.5
778.31342	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67503	0.1
59.01369	0.4
60.99304	17.0
61.98828	2.3
61.99660	0.2
69.30909	1.0
69.31339	0.7
70.27544	0.2
71.01377	0.3
71.51774	0.1
78.95921	0.3
80.19160	0.1
87.00883	0.6
88.00413	0.9
88.98811	100.0
89.02440	3.6
89.99152	1.3
101.02501	0.2
116.92865	1.2
119.03641	0.2
125.02444	0.2
142.58879	0.2
145.02930	0.4
152.99608	0.2
169.12321	0.3
171.10257	0.8
207.10193	0.2
209.11873	1.0
211.13489	0.2
223.13408	0.6
235.08203	0.2
253.09268	0.2
289.07230	0.3
309.20627	0.2
485.32660	0.5
609.16156	0.2
759.42010	0.6
760.42603	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
61.98828	7.3
65.89825	1.0
71.01389	3.9
71.17876	2.0
78.95918	3.8
83.05042	2.5
113.02464	1.0
128.95502	0.9
152.99623	1.8
157.97932	0.8
161.04538	1.2
163.11322	1.9
164.72531	0.8
165.12851	1.4
170.58896	1.0
171.10245	1.6
179.05644	0.9
209.11845	100.0
210.12193	6.8
211.13394	1.0
227.12909	21.8
227.48129	1.0
228.13226	1.8
235.08244	2.0
253.09317	8.7
277.21735	55.3
278.22058	6.8
293.21606	1.1
311.22452	1.1
327.32486	1.0
445.20667	8.5
446.21078	1.2
463.87775	1.2
513.30560	1.2
532.70538	1.1
602.06366	1.0
621.76758	1.0
759.41144	27.2
760.41858	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	759.412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
61.98830	13.7
62.84994	1.3
65.57533	1.7
69.43906	9.7
69.44317	2.7
71.01372	3.2
78.95930	3.8
81.03414	1.6
83.05068	1.4
96.06267	1.5
101.02491	1.7
105.70799	1.3
141.72206	1.5
142.62428	1.3
165.26297	1.7
174.52121	1.4
209.11836	70.9
210.12207	4.7
227.12886	18.9
235.08287	7.5
245.81557	1.9
253.09279	8.7
277.21729	100.0
278.22058	11.7
445.20654	1.7
501.27676	1.6
513.30701	5.6
759.41046	28.0
760.41455	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	759.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.90613	1.0
61.01072	1.0
61.98819	2.8
70.97121	0.9
71.05299	2.9
73.21154	1.2
78.95905	46.4
96.96970	5.0
103.66030	0.9
110.70161	1.0
112.57605	0.9
113.09715	1.9
123.93520	1.0
143.10995	1.0
152.99600	60.2
154.63545	1.2
171.00641	7.6
195.13904	23.5
196.14246	2.0
214.37038	1.2
223.13353	1.7
227.03186	4.8
245.04166	2.1
253.21696	20.7
254.22052	3.0
255.23282	75.8
256.13202	1.1
256.23581	7.9
277.21698	15.4
293.21198	19.0
294.21591	3.8
295.22775	56.8
296.23154	6.7
390.74887	1.0
431.21918	2.2
503.24033	2.9
505.25620	3.2
521.24780	1.3
522.25671	1.5
523.26733	72.5
524.27057	9.8
544.47388	1.0
759.48389	100.0
760.48633	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	4.8
61.98828	36.1
63.02384	1.7
65.00317	5.0
65.97108	0.7
69.03457	6.9
69.36369	7.0
71.01373	4.4
73.02934	1.5
73.87330	0.6
75.00870	2.3
78.95935	0.6
81.03457	2.2
83.01390	7.1
85.02952	2.2
88.98817	4.5
89.02444	1.2
93.03471	5.5
95.01402	4.3
95.05047	0.8
96.96016	2.4
97.02961	6.0
101.02447	2.5
101.06024	0.6
107.01400	11.3
108.02189	1.8
109.02979	3.3
113.02463	1.9
113.31193	0.8
116.92856	2.1
117.03439	0.9
119.05045	18.5
120.05346	1.0
121.02966	2.5
123.00898	12.2
123.04525	1.8
124.01681	28.0
125.02465	73.4
126.02775	2.9
135.04530	3.1
137.02467	7.8
137.09767	1.8
139.03995	1.0
145.02982	4.8
149.02492	1.2
149.06075	0.7
149.99597	43.0
151.00389	34.4
151.03972	1.6
152.01038	1.4
153.05626	0.9
155.10799	9.4
161.02443	2.6
163.04034	2.6
164.01224	1.1
165.00729	0.7
165.01881	3.7
165.05539	0.8
166.02629	0.8
167.03508	2.0
168.00658	70.5
169.01425	11.6
170.01909	0.7
175.00340	2.5
175.03952	1.4
177.01985	5.0
179.03450	0.9
183.02982	1.9
185.06102	1.0
187.04045	1.0
189.01927	1.2
191.05548	1.6
193.01428	1.4
195.06613	0.8
197.04512	0.8
199.09732	2.5
205.05064	1.5
205.39243	0.6
207.76627	0.7
217.01401	1.1
227.07077	0.8
269.04459	0.9
271.06104	62.6
272.06332	6.0
285.04114	0.7
285.07611	0.9
287.05539	2.5
289.07202	2.0
295.06030	1.1
301.03580	1.1
313.06070	1.4
327.06964	0.8
341.08725	6.5
445.20728	1.5
613.15680	9.0
614.16028	2.3
723.86224	0.8
759.27441	100.0
760.27710	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	759.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03449	4.6
58.00594	1.3
59.01100	1.3
59.01380	22.2
61.98814	1.4
62.55457	0.6
64.09023	0.6
65.00322	1.8
67.01895	0.8
71.01390	14.2
71.58633	0.7
72.99293	1.8
73.02940	2.4
75.00876	2.1
75.14905	0.8
83.01371	3.5
85.02959	5.3
85.06594	5.5
86.93565	0.7
87.00903	5.2
89.02454	12.3
93.03464	7.5
95.01408	1.5
96.95994	0.7
97.02982	1.2
99.00896	2.2
100.01672	0.9
101.02461	9.9
105.03418	0.7
107.01406	3.4
109.02945	2.5
111.00905	3.7
112.98857	1.2
113.02450	5.3
113.06107	2.0
119.03536	5.2
119.05016	5.6
120.05470	0.9
121.02964	3.2
123.00916	1.2
123.04549	2.1
124.01688	1.2
125.02465	51.5
126.02808	1.7
127.04057	1.0
127.07703	1.0
131.03542	1.2
131.07158	21.4
133.03033	1.7
134.03763	3.0
135.04550	13.7
137.02454	3.8
139.04054	1.6
142.99846	1.4
143.03525	1.4
147.04485	0.7
148.94026	0.7
149.02467	8.0
150.03218	2.7
151.00397	15.4
151.04074	1.9
152.01143	1.3
153.01945	12.1
155.03534	1.5
161.02438	4.7
161.04587	0.8
162.03256	8.3
163.04062	5.5
164.04749	1.2
165.01907	1.9
165.04163	1.5
165.05592	2.9
166.02731	2.2
166.06126	0.6
167.03476	1.1
169.01407	1.0
173.00981	1.0
173.04576	22.3
173.06062	1.3
173.08255	0.8
174.01694	2.3
174.03340	0.8
174.04866	1.6
175.00366	2.8
175.03999	6.4
176.04739	1.6
177.01942	12.5
177.05522	4.7
178.02502	0.7
178.99908	11.5
179.03522	17.2
179.05301	1.3
179.05640	1.2
179.07161	2.4
180.04105	1.3
181.01462	8.8
181.05069	1.8
188.04913	0.9
189.05528	2.7
191.03581	2.5
191.05615	16.1
191.07126	1.3
192.05905	1.2
193.05005	3.6
194.05783	2.0
195.03023	1.6
195.06581	2.8
199.04045	2.1
201.02034	1.5
204.03937	0.7
205.01422	1.6
206.05873	1.4
209.08217	2.3
216.04204	1.1
217.05045	3.3
219.03059	1.2
221.08252	1.4
223.02560	1.2
231.06458	1.1
241.05048	3.2
247.02512	1.5
257.04691	0.8
259.06125	2.9
261.04089	0.7
262.04855	1.9
264.06168	1.0
265.07059	0.9
275.05600	13.8
276.06161	2.0
277.07227	2.8
285.04028	30.3
286.04465	3.4
293.12421	59.9
294.12741	4.7
299.05579	4.1
303.05112	100.0
304.05453	10.7
313.05762	1.1
322.07291	0.9
323.13528	3.6
327.05283	1.5
337.09329	8.3
341.05023	3.5
343.06821	2.2
353.08810	19.6
354.09085	2.5
355.08932	0.9
357.08420	0.9
364.75580	0.8
375.14594	1.7
437.10797	1.6
445.13321	1.0
447.09546	1.0
465.10403	26.2
466.11017	4.2
553.56873	0.9
579.17310	2.3
623.19843	2.8
675.60760	0.8
741.22852	1.5
759.23785	20.3
760.24078	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.6
60.47759	1.4
61.98829	100.0
68.02939	1.2
75.14459	1.2
78.95910	17.1
88.98824	3.1
89.02429	1.8
91.67569	1.3
92.37585	1.2
96.96992	1.5
100.73536	1.3
103.13381	1.2
109.06571	3.9
148.43231	1.3
152.99590	7.0
160.97513	1.4
161.73801	1.3
163.11255	1.7
170.01860	1.3
195.74948	1.2
199.13432	4.0
207.10252	13.6
209.11775	2.1
219.03313	1.6
223.13359	2.8
225.11281	5.9
253.09331	2.4
255.23203	3.3
277.21719	11.5
278.22083	1.7
293.21060	3.0
295.22693	1.6
447.20941	1.8
461.19769	1.4
505.35803	1.4
523.52606	1.6
708.43054	2.8
721.41815	7.4
722.42694	2.0
757.41846	2.0
778.93433	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79617	0.6
59.01388	0.9
59.12326	0.6
61.98835	3.2
68.89892	0.6
70.70506	0.9
70.70843	1.3
78.95908	40.8
84.41689	0.9
88.51527	0.6
96.31371	0.6
96.96960	3.9
121.10303	0.7
124.35700	0.6
134.98547	0.8
144.36731	0.7
150.68213	0.6
152.99602	53.8
153.99986	0.7
159.12668	0.6
167.10822	0.9
168.10699	0.6
171.00659	5.7
171.10338	1.4
177.12961	0.8
179.14444	0.7
195.13918	10.1
196.14441	2.1
209.02187	1.2
223.13422	6.4
227.03247	5.6
228.13618	0.8
231.21193	1.1
235.17082	1.0
245.04326	1.7
253.21716	28.4
253.24364	1.5
254.22113	2.9
255.23302	4.3
256.13110	1.2
275.20203	6.7
276.20480	1.4
291.19650	2.0
292.19870	0.8
293.21216	44.7
294.21466	4.9
379.91647	0.7
411.43649	0.6
423.17776	1.3
429.20398	4.7
483.27405	1.5
503.24411	4.0
521.25165	100.0
522.25476	13.7
576.36786	0.7
757.46887	72.0
758.47278	21.6
758.61127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43661	0.5
55.01891	0.7
57.03433	1.1
59.01374	6.5
61.98830	25.1
66.37269	0.5
67.89529	0.4
69.03461	0.9
71.01383	18.0
71.20815	0.8
71.21159	0.8
72.99306	0.9
73.02942	1.9
75.00871	0.6
78.95900	0.7
80.02679	1.7
81.03445	2.7
82.95404	0.8
83.01402	1.2
83.05022	4.6
84.02153	0.9
85.02952	2.1
87.00881	1.2
88.98802	2.5
89.02432	3.0
93.03456	1.3
95.01411	0.5
95.05018	1.6
96.96014	0.9
97.02961	3.3
97.06647	0.5
99.00877	1.8
101.02439	5.1
107.05019	0.8
108.72563	0.5
109.02950	1.3
109.06601	14.9
109.69231	0.5
110.03754	0.5
110.06915	0.8
113.02451	2.6
116.92085	0.5
116.92861	1.4
119.03528	1.0
119.05074	1.5
121.02972	1.0
121.06615	1.1
122.03746	0.5
123.04538	1.5
125.02474	5.6
125.06062	1.0
125.09735	1.2
135.04594	0.6
135.08195	2.7
136.05353	0.5
137.02441	2.7
142.02783	1.4
145.03004	1.3
145.05080	0.9
149.02463	0.5
150.03212	0.8
151.00397	1.5
151.04008	1.5
161.02451	1.1
161.04614	2.4
161.09775	1.1
163.00375	0.5
163.11295	11.8
164.01031	0.5
164.11639	0.7
165.01921	1.2
165.12834	2.9
171.10300	4.3
173.76837	0.4
175.03969	0.7
177.01941	0.5
179.05708	1.0
179.10829	0.5
181.12381	3.7
183.45380	0.5
185.11823	1.8
189.09145	1.7
191.10794	1.3
195.13931	0.5
199.09749	1.1
199.13544	0.8
201.11348	2.3
207.10271	46.7
208.10593	3.1
209.11835	100.0
210.12170	7.3
211.13351	0.5
213.14975	1.1
221.11923	0.7
223.13341	0.7
225.11311	31.4
226.11711	2.8
227.12886	21.3
228.13182	1.4
231.10323	1.1
235.08199	4.7
243.12363	1.7
249.11331	1.3
253.09265	12.2
254.09593	0.6
265.14481	0.9
271.06171	2.0
281.14099	0.6
285.03949	0.9
289.07153	2.3
299.14951	0.9
373.24109	1.0
399.21774	3.3
417.22604	3.1
418.23154	0.7
435.23862	1.0
443.19141	2.9
445.20337	0.9
459.55038	0.5
461.20255	12.5
462.20825	1.6
479.21274	0.9
484.22552	0.5
485.20120	0.6
535.25287	1.6
588.45599	0.6
609.28979	0.8
627.31183	0.6
635.30652	5.9
636.31433	1.1
653.31812	6.9
654.32056	1.1
671.32922	14.3
672.33154	5.9
689.33990	1.3
704.36554	2.0
721.36334	0.9
735.92316	0.6
757.36865	2.3
758.35358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57604	0.1
57.03433	0.1
58.00581	0.1
59.01381	1.0
61.98826	0.2
71.01375	1.0
71.58669	0.2
71.59034	0.1
72.99329	0.1
73.02961	0.3
74.02480	0.2
75.00867	0.3
76.15826	0.1
83.01425	0.2
85.02957	0.6
87.00898	0.4
89.02449	0.6
93.03467	1.0
95.01393	0.2
95.05031	0.1
99.00863	0.3
101.02460	0.6
101.06057	0.5
105.01904	0.1
109.02943	0.2
113.02496	0.5
113.35708	0.1
116.03514	0.2
117.03477	0.3
119.05033	92.2
120.05368	4.7
121.02947	0.3
123.04539	0.2
125.02480	0.3
133.02968	0.7
134.03735	1.0
135.04547	0.2
137.02464	0.5
145.02969	0.4
147.04544	0.2
149.02460	0.4
149.06075	0.4
161.02489	0.2
161.04587	0.2
163.04013	100.0
164.04352	5.7
173.04533	0.7
177.01952	0.3
178.02716	0.7
178.04025	0.1
179.03450	0.2
189.11285	0.1
191.05611	1.4
192.05977	0.2
193.05035	2.7
195.05121	0.2
205.04962	0.3
208.03764	0.2
215.05568	0.2
221.11888	0.1
223.06081	0.9
261.08792	0.2
269.10272	0.2
289.07101	0.2
300.02661	0.2
307.13971	0.3
325.09256	15.1
326.09546	1.6
337.09100	0.2
350.15283	0.2
351.07300	0.7
351.12830	1.1
351.16650	0.7
353.08603	0.1
355.10492	0.6
382.88647	0.1
389.14853	0.1
431.15652	1.4
432.15613	0.1
757.22565	0.4
778.83038	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	756.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11958	0.1
56.63984	0.1
57.78086	0.1
61.98828	100.0
71.55354	0.2
78.95926	0.7
80.96486	0.1
152.99594	0.3
242.34897	0.2
296.57462	0.2
354.26071	0.2
534.31989	0.1
635.30664	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98841	0.5
63.05571	0.4
65.00317	0.6
71.01384	2.8
71.64270	0.7
75.00851	0.8
78.95909	1.7
79.01888	1.2
81.03456	0.8
83.01379	1.9
83.01864	0.4
85.02947	2.2
87.00855	0.9
88.56295	0.5
89.02448	1.4
93.03450	4.8
95.01413	1.5
96.96966	4.8
97.02958	1.3
99.00885	0.5
101.02441	1.2
105.03443	0.9
107.01382	3.1
107.05046	1.1
108.02160	0.6
109.02967	2.1
111.04508	1.1
113.02439	1.1
117.03523	0.7
117.68014	0.6
119.05042	16.7
119.05904	0.8
120.05396	0.6
121.02966	2.8
123.00892	1.1
123.04585	1.1
125.02467	4.2
131.07175	1.3
133.02943	1.6
134.03729	1.1
135.04507	2.2
136.01642	1.3
137.02452	5.1
139.04037	3.3
143.04997	2.4
145.02936	2.1
147.04514	1.0
149.02461	3.5
149.06094	0.8
150.03261	3.5
151.00389	1.4
151.03996	1.9
153.01880	0.6
153.05460	0.6
155.15657	0.6
159.04588	0.6
161.02463	1.7
161.06111	1.1
163.00346	1.7
163.04018	13.6
164.01160	0.8
164.04617	2.1
165.01898	3.7
165.05589	0.9
167.03516	4.6
173.04671	0.9
175.03976	1.5
177.01938	6.4
177.05475	0.6
178.02693	3.9
179.03537	4.2
180.04234	0.8
181.05067	2.5
183.06654	0.5
187.03969	1.3
189.01889	1.0
190.02664	0.6
191.03522	3.5
191.05612	16.1
192.04221	1.5
192.05861	1.3
193.01445	3.2
193.04961	2.7
197.04498	1.3
199.07605	0.9
202.99858	0.6
203.03546	1.4
204.00702	1.2
205.01416	7.2
205.05029	1.4
206.02109	1.8
207.02954	1.9
209.04530	1.6
217.01387	1.4
217.05132	0.5
219.03000	4.2
220.03705	0.8
221.04533	0.8
223.02435	0.7
227.07056	0.9
231.03003	1.0
233.00842	0.8
233.04538	2.3
235.02431	6.7
239.05392	1.0
243.02968	0.9
247.02393	1.4
249.04105	0.7
254.05692	0.5
261.04013	1.9
265.03510	2.0
265.08630	0.7
267.06479	2.2
269.08212	1.1
271.02295	0.7
271.06113	1.1
273.04071	0.6
283.06125	1.1
289.07245	1.2
293.12418	3.4
297.07593	1.6
298.08459	0.7
299.07654	1.5
305.07193	0.5
313.07230	3.3
323.13449	1.6
325.07166	3.6
326.07608	0.6
327.08627	0.8
332.73743	0.5
337.09622	2.8
339.08826	1.0
343.08295	0.6
343.11990	1.0
353.09094	2.4
355.08173	18.8
356.08655	3.2
367.08295	2.2
373.12790	4.0
374.13327	0.7
385.09286	10.1
386.09616	1.6
397.09634	0.6
415.10355	1.5
475.12164	1.1
487.12360	1.5
517.13489	18.4
518.13751	3.0
535.17993	0.7
547.14496	11.7
548.14862	2.0
572.61597	0.6
577.15625	1.6
595.16656	0.9
637.17889	8.9
638.18073	1.5
667.18939	2.6
739.20795	1.0
757.22235	100.0
758.22559	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	755.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03442	0.3
58.00603	0.5
58.62413	0.1
59.01377	3.4
61.98834	0.8
68.99786	0.1
69.03456	0.5
71.01382	3.1
71.05030	0.2
71.64503	0.2
72.99319	0.2
73.02938	0.7
80.02679	1.1
81.03478	1.0
83.01390	0.6
83.05031	4.4
84.02176	0.8
84.05340	0.2
85.02961	0.9
87.00890	0.8
89.02454	2.3
91.03999	0.1
95.01399	0.3
95.05021	0.6
95.75072	0.1
97.02965	0.7
97.06588	0.3
99.00916	0.3
101.02452	3.3
109.06590	0.7
111.08173	4.3
113.02470	1.7
119.03496	0.6
121.10210	0.2
123.08147	0.2
125.02470	0.3
125.06071	0.5
125.09724	0.3
127.07700	0.4
133.05107	0.3
135.08173	0.5
137.09752	0.2
143.03510	0.4
145.05064	0.4
147.11765	0.2
151.11292	0.4
153.09207	0.3
153.12819	0.6
155.09714	0.1
161.04581	1.6
163.11305	3.5
164.11644	0.2
165.12859	2.3
166.13156	0.1
167.10718	0.1
169.12361	2.0
170.12796	0.2
171.10316	1.1
179.05647	0.5
179.10812	0.4
181.12366	1.1
183.13919	0.5
191.10799	1.0
193.12323	0.2
197.11842	22.6
198.12172	1.3
199.13405	1.4
201.11360	0.1
207.10291	0.3
207.56700	0.1
209.11839	100.0
210.12183	7.1
211.13390	3.7
211.15393	0.2
212.13733	0.4
221.11873	0.1
223.13239	0.2
225.11369	0.3
227.12888	11.9
228.13240	0.9
235.08224	3.6
236.08612	0.2
245.19008	0.1
247.20712	0.4
253.09274	13.0
254.09674	0.7
263.20123	1.3
264.20569	0.1
265.18039	0.5
271.06454	0.1
273.18604	0.6
291.19647	10.7
292.19965	1.5
293.21109	0.8
309.20712	35.1
310.21088	4.0
433.21017	0.2
445.20688	1.6
494.66614	0.2
501.32245	0.5
519.33124	0.2
527.28656	0.4
545.29559	0.5
596.05206	0.2
755.41968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
57.03441	0.4
58.00603	0.2
59.01373	3.7
59.64007	0.1
61.98819	0.7
69.03456	0.7
70.33338	0.2
71.01384	3.4
71.35773	0.3
72.53298	0.1
73.02950	0.8
74.28293	0.1
80.02686	0.8
81.03457	1.1
83.01395	0.6
83.05029	4.5
84.02175	0.8
85.02961	1.0
87.00868	0.6
89.02451	2.1
91.03997	0.1
93.03427	0.1
95.01398	0.3
95.05047	0.5
97.02953	1.9
97.06603	0.5
99.00874	0.2
101.02449	3.2
101.53770	0.1
106.04251	0.2
107.05064	0.1
109.06596	0.6
111.08172	4.1
113.02448	1.4
119.03532	0.8
119.08678	0.2
123.04523	0.1
123.08178	0.2
125.02511	0.2
125.06097	0.5
125.09752	0.5
127.07659	0.4
133.05148	0.2
135.08191	0.6
137.09711	0.6
139.07666	0.1
139.11385	0.1
141.09259	0.2
143.03522	0.4
145.05064	0.4
147.11888	0.2
148.04816	0.1
151.11270	0.3
153.09232	0.1
153.12854	0.6
161.04567	1.2
161.09851	0.1
163.11305	3.6
164.11642	0.4
165.09290	0.1
165.12859	3.2
166.13181	0.2
167.10762	0.1
169.12363	1.6
171.10284	2.4
172.10675	0.1
177.12825	0.1
179.05606	0.6
179.10733	0.2
181.12367	1.2
183.13919	0.5
185.11891	0.3
191.10864	0.7
193.12352	0.5
193.15923	0.3
195.13994	0.2
197.11836	20.0
198.12186	1.4
199.13376	1.5
207.10220	0.3
209.11830	100.0
210.12161	7.1
211.13397	3.5
212.13704	0.3
218.41508	0.1
223.13271	0.2
225.11313	0.9
227.12885	12.7
228.13168	0.9
235.08209	3.3
235.16820	0.1
236.08569	0.2
247.20583	1.0
250.11316	0.1
253.09268	13.0
254.09726	0.6
263.20108	1.2
265.18140	0.4
273.18646	0.7
291.19638	16.6
292.20013	1.9
293.21246	1.0
294.21594	0.2
309.20697	40.5
310.21057	4.3
333.20557	0.1
345.79214	0.1
355.97003	0.1
371.36816	0.1
433.20840	0.4
445.20737	1.5
457.41537	0.1
463.21762	0.3
501.32251	0.4
502.32608	0.2
519.33228	0.3
527.28613	0.4
528.28979	0.2
545.29724	1.0
546.30774	0.1
755.42389	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.425
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34562	0.6
55.51825	0.5
56.82032	0.5
57.03434	2.1
58.00593	0.7
59.01377	12.1
61.98832	8.3
69.03463	1.3
70.16060	2.5
71.01381	38.7
72.01743	0.7
72.99297	1.3
73.02946	4.5
74.02475	0.7
75.00865	0.6
78.95906	1.7
80.02674	0.7
81.03467	2.3
83.01383	1.9
83.05027	4.0
84.02170	0.8
85.02965	4.1
87.00886	3.4
88.98787	0.6
89.02444	5.1
93.03474	1.1
95.01418	1.3
95.05031	2.5
97.02975	3.1
97.06617	1.1
99.00890	2.0
99.04524	0.7
101.02451	8.3
109.02921	0.7
109.06599	8.7
110.03761	0.8
111.00908	1.4
111.08172	6.6
113.02454	4.2
113.09699	0.7
116.92773	0.8
119.03500	1.6
121.02969	0.9
121.10263	0.9
123.04528	1.4
125.02469	1.2
125.09719	2.9
127.11316	1.7
135.08182	1.5
137.09726	0.9
139.07637	1.0
141.09221	0.7
143.03474	1.9
145.05057	1.6
149.09695	1.5
151.11241	0.8
152.99655	0.8
155.10779	1.4
161.04599	3.8
161.09712	1.0
163.11310	8.3
165.09224	0.9
165.12849	2.1
166.49402	0.6
167.10828	1.6
169.12329	1.1
171.10287	41.7
172.10611	1.9
177.12833	1.3
179.05630	0.6
179.10780	3.2
179.14511	0.9
181.12360	2.7
183.10298	0.9
185.11877	3.2
189.09210	1.6
191.10855	0.8
195.12280	1.1
195.13921	10.9
196.14270	0.6
197.11813	3.3
199.09824	1.0
199.13400	2.3
201.11343	20.7
202.11674	1.6
207.10278	26.6
208.10620	1.3
209.11838	59.0
210.12152	4.9
211.13368	2.5
215.12901	2.1
223.13405	6.0
225.11327	33.8
226.11580	3.0
227.12872	7.9
228.13350	1.4
235.08200	6.0
243.12354	2.8
253.09270	24.7
254.09642	1.6
256.12997	1.0
273.18530	0.9
275.20142	10.8
276.20538	1.2
291.19647	46.2
292.19992	5.5
293.21216	100.0
294.21576	11.8
295.10315	2.0
307.19278	1.1
309.20770	3.3
338.14655	0.6
404.48410	0.6
443.19104	1.7
461.20169	7.1
462.20465	0.8
479.21249	0.9
571.31256	0.7
612.50952	0.7
613.87286	0.7
664.16162	0.7
737.41559	6.0
738.41785	2.0
755.42316	4.7
756.42163	1.1
776.19794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03445	1.6
58.00605	0.6
59.01373	8.2
59.52565	0.3
61.98829	8.6
69.03464	1.3
70.96316	1.0
71.01383	8.5
72.01714	0.5
72.99306	0.6
73.02951	1.6
78.95913	1.6
81.03468	0.5
82.23123	0.4
82.81985	0.4
83.01370	0.9
83.05021	2.3
85.02965	2.7
87.00878	2.3
88.98802	0.7
89.02450	3.8
95.01418	0.4
97.02950	2.0
97.06592	1.5
99.00877	0.6
101.02448	5.8
109.06601	1.5
111.00863	0.5
111.08164	7.6
113.02433	3.0
119.03497	1.4
119.08643	0.6
125.02448	0.7
125.09737	0.6
127.07703	0.6
131.03549	0.5
137.09723	1.1
143.03510	0.9
145.05066	0.6
151.11293	0.5
152.99606	0.9
153.12798	0.8
161.04568	2.2
163.11313	2.5
165.09212	0.6
165.12859	11.1
166.13190	0.8
167.10771	0.7
169.12360	3.3
171.10257	6.7
172.10544	0.4
179.05638	0.6
181.12360	1.6
183.13907	100.0
184.14294	6.0
191.05641	0.5
193.12349	0.4
195.13837	0.9
197.11833	24.2
198.12169	2.1
199.09756	0.7
199.13438	2.5
201.11328	1.0
207.10208	3.2
208.10568	0.7
209.11839	13.6
210.12193	3.6
211.13506	4.2
212.13684	0.6
215.12874	0.5
223.13454	0.8
225.11325	3.7
226.11842	0.5
227.12865	10.0
228.13222	1.2
229.19443	0.4
235.08211	4.0
240.10539	0.4
245.19048	0.4
247.20601	1.6
253.09265	10.0
254.09523	0.5
263.20038	0.9
265.17953	0.7
273.18604	0.8
275.20148	0.9
289.18057	0.9
290.18390	1.1
291.19629	11.7
292.19980	1.9
293.21237	5.9
294.21667	0.7
295.87109	0.5
307.19138	0.8
308.19345	0.4
309.20691	16.1
310.20999	2.2
311.22296	0.9
327.21759	1.1
408.12146	0.6
445.20883	2.5
446.21057	0.6
461.20331	0.9
463.21832	3.9
464.22452	0.6
545.29346	0.5
657.34247	0.6
717.14978	0.5
737.40875	0.8
755.42468	97.9
756.42822	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	755.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75367	17.2
61.98835	100.0
68.94563	17.7
71.57035	21.3
78.95898	97.8
87.79336	15.8
94.37708	17.4
95.52282	19.0
101.74866	16.9
108.06882	15.8
113.51858	21.0
117.92783	19.4
130.25035	17.2
152.99559	56.5
168.26076	20.3
181.15800	19.1
192.32484	18.5
207.10306	24.8
235.08275	18.5
255.23331	81.6
277.21735	32.6
355.89151	16.9
750.99182	21.0
755.43738	37.5
775.98785	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	755.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03445	1.6
58.00605	0.6
59.01373	8.2
59.52565	0.3
61.98829	8.6
69.03464	1.3
70.96316	1.0
71.01383	8.5
72.01714	0.5
72.99306	0.6
73.02951	1.6
78.95913	1.6
81.03468	0.5
82.23123	0.4
82.81985	0.4
83.01370	0.9
83.05021	2.3
85.02965	2.7
87.00878	2.3
88.98802	0.7
89.02450	3.8
95.01418	0.4
97.02950	2.0
97.06592	1.5
99.00877	0.6
101.02448	5.8
109.06601	1.5
111.00863	0.5
111.08164	7.6
113.02433	3.0
119.03497	1.4
119.08643	0.6
125.02448	0.7
125.09737	0.6
127.07703	0.6
131.03549	0.5
137.09723	1.1
143.03510	0.9
145.05066	0.6
151.11293	0.5
152.99606	0.9
153.12798	0.8
161.04568	2.2
163.11313	2.5
165.09212	0.6
165.12859	11.1
166.13190	0.8
167.10771	0.7
169.12360	3.3
171.10257	6.7
172.10544	0.4
179.05638	0.6
181.12360	1.6
183.13907	100.0
184.14294	6.0
191.05641	0.5
193.12349	0.4
195.13837	0.9
197.11833	24.2
198.12169	2.1
199.09756	0.7
199.13438	2.5
201.11328	1.0
207.10208	3.2
208.10568	0.7
209.11839	13.6
210.12193	3.6
211.13506	4.2
212.13684	0.6
215.12874	0.5
223.13454	0.8
225.11325	3.7
226.11842	0.5
227.12865	10.0
228.13222	1.2
229.19443	0.4
235.08211	4.0
240.10539	0.4
245.19048	0.4
247.20601	1.6
253.09265	10.0
254.09523	0.5
263.20038	0.9
265.17953	0.7
273.18604	0.8
275.20148	0.9
289.18057	0.9
290.18390	1.1
291.19629	11.7
292.19980	1.9
293.21237	5.9
294.21667	0.7
295.87109	0.5
307.19138	0.8
308.19345	0.4
309.20691	16.1
310.20999	2.2
311.22296	0.9
327.21759	1.1
408.12146	0.6
445.20883	2.5
446.21057	0.6
461.20331	0.9
463.21832	3.9
464.22452	0.6
545.29346	0.5
657.34247	0.6
717.14978	0.5
737.40875	0.8
755.42468	97.9
756.42822	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	753.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03432	1.6
57.14074	0.4
58.00593	0.5
59.01379	6.0
59.90256	0.3
61.98528	0.6
61.98828	9.2
68.99794	0.3
69.03463	4.4
69.33672	0.8
69.34080	3.0
71.01382	7.5
71.05025	1.6
72.99297	1.4
73.02939	0.9
75.00882	1.9
78.91883	1.1
78.95903	1.9
81.03465	0.7
83.01378	0.7
83.05031	1.7
85.02950	3.2
87.00872	1.7
88.98795	0.9
89.02454	2.7
93.03467	0.4
94.23810	0.3
95.01377	0.8
95.05061	1.0
97.02946	0.7
97.06599	1.2
98.20608	0.7
99.00878	1.2
101.02451	3.8
103.00342	0.4
107.05002	0.3
109.06575	1.8
111.08144	0.9
113.02473	3.5
116.92884	0.7
117.92924	0.4
119.03522	0.6
123.04509	0.3
123.08155	1.4
125.09752	2.6
135.08110	0.6
137.09644	0.8
141.01933	0.4
149.09746	0.6
151.11304	2.6
152.11522	0.3
152.99623	0.5
153.12845	1.5
161.04572	1.0
161.09735	3.8
163.11298	1.7
165.12796	1.4
167.10814	0.7
169.12361	0.7
171.10294	3.5
179.05724	0.6
179.10791	6.1
179.14395	0.7
181.12331	1.4
183.13882	1.1
185.11865	0.6
191.05525	0.5
191.10780	0.7
195.13902	6.1
197.11841	45.9
198.12154	2.1
199.13446	0.7
205.12251	0.8
206.04706	0.4
207.10255	2.9
208.10529	0.5
209.11833	19.3
210.12180	1.3
211.13338	1.6
223.09775	1.0
223.13399	3.3
225.11369	4.1
226.11606	0.4
227.12877	4.2
228.13318	0.6
235.08212	1.3
241.10771	1.9
245.19077	0.9
253.09285	3.9
263.20221	0.6
275.20117	3.4
289.18054	2.7
291.19705	2.0
292.19913	0.4
293.21231	17.4
294.21585	1.5
307.19107	4.3
308.19553	0.5
309.20624	1.8
445.20621	0.5
461.20255	1.2
477.19550	1.3
502.01260	0.4
543.28119	0.9
563.13782	0.4
735.40363	1.5
753.40924	100.0
754.41266	28.3
754.55341	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1856
Annotation	Variabiloside F
Peak:m/z	Relative Intensity
53.46646	0.4
59.01382	2.6
61.98831	1.8
63.02405	1.3
65.00320	5.5
71.01035	0.4
71.01392	1.7
71.66078	0.8
71.84032	0.4
73.02968	0.5
75.00875	1.9
77.44093	0.5
83.01391	3.2
85.02966	1.8
87.00886	0.8
88.98827	0.5
89.02451	1.0
93.03460	4.4
93.03931	0.5
95.01410	0.5
99.00897	0.5
99.04546	0.5
101.02462	1.1
104.22667	0.5
107.01397	9.6
109.02942	2.2
113.02474	1.3
115.00354	0.5
117.03471	3.2
119.05041	2.7
121.02960	3.5
123.00925	0.5
125.02448	2.7
131.01433	0.8
133.02982	1.0
135.00900	0.7
137.02431	4.4
139.03963	0.7
143.05080	0.7
143.22542	0.5
145.02963	8.2
147.00908	0.5
148.01746	0.7
149.00650	0.7
149.02498	1.2
149.99617	0.6
150.03232	0.8
151.00383	42.1
152.00760	1.6
153.01967	0.6
155.10774	1.2
159.04459	0.8
161.02475	1.3
161.06081	0.8
161.09715	0.8
163.00406	1.4
163.04015	1.9
164.01183	1.1
165.01933	1.9
169.01453	1.8
171.04556	1.0
172.05125	0.5
173.04590	1.4
173.05975	0.5
173.17090	0.4
173.57091	0.4
174.89693	0.4
175.00378	4.3
175.04021	0.9
177.02026	0.6
178.99863	10.6
179.10889	0.4
180.00256	0.8
185.02612	0.5
187.04050	1.2
191.05644	1.5
193.01457	1.2
199.03998	3.5
199.09749	1.0
201.01971	1.0
201.05577	0.5
201.09164	0.8
203.03465	1.0
205.01456	0.5
205.05040	0.5
211.03972	0.8
215.03476	1.9
216.04028	0.6
217.01215	0.5
217.05019	0.4
219.55542	0.4
226.02699	1.3
227.03520	3.8
229.01607	0.4
229.05055	0.6
243.03008	5.2
244.03708	0.5
245.04570	0.7
247.09518	0.4
254.02206	1.0
255.02905	3.8
256.03827	0.7
257.04495	1.2
271.02451	48.1
272.02844	4.6
273.04001	1.0
283.02487	1.0
284.03207	1.0
285.01340	0.5
285.03992	2.9
289.07156	1.3
299.01965	57.0
300.02661	26.4
301.03519	100.0
302.03864	9.4
313.03290	1.0
324.52362	0.4
343.04669	0.9
367.11963	0.5
385.12936	1.4
417.08121	0.7
447.09161	4.6
448.09363	0.7
459.09045	0.6
487.08725	1.1
488.09967	0.5
593.12976	0.9
608.11768	4.4
609.12604	71.7
610.12927	15.8
675.15649	0.4
755.18445	43.8
756.18762	11.8
756.33563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.47836	0.3
57.03434	1.2
59.01374	5.3
61.98828	10.6
69.03465	0.8
69.30618	2.8
69.31033	0.7
71.01383	6.2
71.05010	0.6
72.99314	0.6
73.02941	1.0
74.45392	0.3
75.00869	0.6
75.72380	0.4
78.91930	0.4
78.95915	1.5
80.02693	1.7
81.03455	1.8
83.01394	1.5
83.05027	4.8
84.02158	1.0
85.02959	1.6
87.00884	1.3
88.98827	0.5
89.02441	2.6
93.03432	0.5
95.01388	0.7
95.05009	1.5
96.35485	0.3
97.02953	1.9
97.06603	2.3
99.00920	0.9
101.02433	4.2
106.04293	0.5
109.06594	5.1
111.00889	0.4
111.04545	0.7
111.08198	1.9
113.02469	2.5
113.06117	0.4
119.03514	0.8
121.03004	0.5
121.06622	0.9
123.04548	1.2
123.08149	0.4
125.02470	1.0
125.06104	0.6
125.09737	2.5
135.08167	1.6
136.05299	0.5
137.09758	1.6
143.03497	0.4
145.05081	0.5
149.09718	0.4
151.11302	1.0
153.12819	0.6
155.10799	0.5
161.04587	1.9
161.09697	0.8
163.11292	8.1
164.11523	0.6
165.09238	0.4
165.12839	4.5
169.12355	2.5
171.10304	3.1
179.05554	0.4
179.10762	1.3
181.12375	3.4
183.13927	0.5
185.11848	3.0
189.09126	0.7
191.10806	1.3
191.14427	2.6
195.13855	0.6
197.09998	0.5
197.11835	9.6
198.12114	0.6
199.13411	0.7
200.43474	0.3
200.45401	0.4
205.12297	0.5
207.10262	14.4
208.10600	1.4
209.11827	100.0
210.12146	6.4
211.13394	2.7
223.09698	0.6
223.13377	0.7
225.11319	10.3
226.11755	0.9
227.12886	12.1
228.13223	1.3
228.19109	0.3
235.08241	3.6
237.11386	0.7
243.12318	0.4
245.19043	4.4
246.19435	0.5
251.12836	0.5
253.09280	12.2
254.09625	0.8
263.20181	2.7
264.20801	0.4
271.17154	0.7
275.20154	0.9
289.18063	21.5
290.18500	2.5
291.19638	5.6
291.22812	0.3
292.20065	0.8
293.21280	2.8
307.19138	20.5
308.19452	3.0
309.20700	11.1
310.21021	1.2
312.91019	0.3
327.19904	0.5
397.43268	0.3
401.23416	0.6
419.24051	0.6
443.19278	1.2
445.21060	1.6
461.20251	2.5
493.13983	0.4
499.30380	0.5
517.31335	0.6
525.26819	0.7
543.28094	1.3
637.32074	0.8
655.33203	0.6
717.37964	0.5
735.39789	2.2
736.39484	0.5
753.40948	17.0
754.41107	4.9
778.33960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53443	0.4
55.01863	0.4
57.03447	1.5
58.00592	0.5
59.01370	5.7
60.99302	1.3
61.57297	0.4
61.98829	100.0
62.98542	0.8
62.99282	0.5
63.99241	0.6
69.03442	0.4
70.21583	0.4
71.01382	39.3
71.61327	0.8
72.01734	1.0
72.99309	0.6
73.02953	1.5
75.00887	0.7
78.91894	0.6
78.95926	1.7
80.02689	0.8
80.91689	2.2
80.96538	1.0
81.03466	2.0
83.01411	1.3
83.05019	3.2
84.02184	0.5
85.02953	2.0
87.00897	1.2
88.98811	7.5
89.02427	2.3
93.03493	1.4
94.98094	0.6
95.01411	0.6
95.05059	0.7
96.96021	2.0
96.96976	0.6
97.02966	2.0
97.06610	0.9
99.00897	1.5
99.04551	0.6
101.01894	0.4
101.02435	2.7
106.04313	0.4
106.24665	0.4
108.02211	0.7
109.02942	2.3
109.06600	6.7
110.03791	0.6
110.06956	0.6
113.02460	1.3
116.92883	2.5
119.03552	0.6
119.05058	1.2
121.02981	1.2
122.03790	0.8
123.04544	2.4
124.01691	0.7
125.02470	5.4
125.09759	0.9
135.04559	0.8
135.08212	1.2
137.02460	3.6
139.04004	0.6
145.02995	0.6
149.02521	0.9
150.03221	0.8
151.00397	1.3
151.04050	2.1
161.02547	1.0
161.04671	0.9
161.06070	0.6
161.09787	0.5
163.11288	5.9
164.01190	1.3
165.01993	2.8
165.12900	1.8
167.03589	1.5
169.12425	0.5
171.10286	9.4
172.10648	0.8
175.04025	1.1
177.01988	0.7
179.03583	0.5
180.04610	0.5
181.12384	2.7
185.11861	1.2
189.09338	0.8
191.05690	0.4
197.11899	1.2
199.09845	1.1
199.13458	1.0
201.11331	3.8
203.07106	0.7
205.05061	0.9
207.10263	19.0
208.10632	1.5
209.11832	50.9
210.12154	4.2
211.13443	0.9
225.11304	14.0
226.11729	0.9
227.12875	5.8
228.13228	0.4
235.08299	1.9
243.12363	1.4
253.09233	4.7
271.06030	5.4
287.05576	0.7
289.07126	2.7
309.04123	0.4
372.88379	0.5
399.21860	1.4
417.22888	1.2
443.19681	0.9
461.20126	3.6
462.20673	0.6
479.21567	0.6
487.14236	1.3
503.13589	0.8
529.15253	0.8
591.30011	0.8
635.30939	2.4
636.31891	0.5
653.32513	1.5
654.32953	0.7
659.33728	0.8
671.32709	3.4
672.33990	1.7
689.34546	0.7
721.37128	2.0
753.35156	4.7
754.34930	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.4
59.01369	1.1
60.99314	1.3
61.98806	0.1
65.03966	0.2
67.01891	3.8
69.03455	1.0
69.52086	1.0
70.10697	0.1
71.01389	1.8
71.05075	0.1
73.02954	0.3
81.03473	0.7
83.05023	0.8
85.02955	4.4
87.00880	6.2
88.01250	0.1
88.16143	0.1
89.02443	0.1
89.04002	0.2
93.03466	26.8
94.03790	0.9
95.01414	0.1
97.03005	0.1
98.19893	0.1
99.00888	0.5
99.04552	0.7
101.02455	0.3
109.02951	0.7
111.04528	4.2
112.04888	0.2
113.02469	0.5
115.03999	0.2
117.03455	0.7
119.05060	0.1
121.02961	0.2
125.02487	0.2
127.04005	1.1
129.01955	1.0
131.56587	0.1
134.03754	8.0
135.04094	0.4
137.02454	0.5
143.03502	0.3
149.06100	0.5
155.03543	0.7
160.01704	0.5
161.02428	0.4
171.03000	0.5
173.04556	9.1
174.04950	0.3
175.03987	0.5
178.02681	0.3
191.05620	100.0
192.05962	4.1
193.05043	5.2
194.05435	0.3
210.93939	0.1
274.71350	0.1
289.07449	0.1
337.09045	0.2
367.10339	45.8
368.10684	4.9
371.09906	0.2
385.11264	0.5
527.86261	0.1
562.35083	0.1
753.24280	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	753.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.2
55.83185	0.2
57.03455	0.5
59.01381	4.1
60.99313	0.2
61.98830	100.0
62.98529	1.0
62.99246	0.3
63.99259	0.8
69.03431	0.2
71.01385	21.8
71.05023	0.2
71.34600	0.4
72.01730	0.5
72.99319	0.3
73.02959	0.8
75.00863	0.2
76.01128	0.2
78.91903	0.4
78.95919	0.5
79.95743	0.2
80.02689	0.4
80.91688	0.8
80.96515	0.4
81.03444	0.9
83.01386	0.7
83.05026	2.1
84.02175	0.4
85.02953	0.9
87.00887	0.8
88.98808	1.8
89.02438	1.1
89.13383	0.2
93.03481	0.7
95.05059	0.6
96.96043	0.8
96.97005	0.4
97.02963	1.3
97.06586	0.3
99.00881	1.1
101.02457	1.5
107.04977	0.3
108.02147	0.2
109.02971	0.7
109.06596	3.9
110.06969	0.3
111.04565	0.2
113.02464	0.9
116.92873	0.7
119.03484	0.2
119.05045	0.5
121.02977	0.5
123.04533	0.9
123.08203	0.2
125.02460	2.0
125.06100	0.4
125.09779	0.5
127.18589	0.2
135.04509	0.3
135.08167	0.6
137.02448	1.9
139.07729	0.3
139.27615	0.2
142.02718	0.3
145.02945	0.5
145.05121	0.3
149.02458	0.5
150.03279	0.5
151.00417	0.3
151.04025	0.8
155.10872	0.2
161.02463	0.6
161.04611	0.6
161.09714	0.4
163.03912	0.3
163.11310	3.6
164.01128	0.6
165.01949	1.4
165.12863	0.8
167.03548	0.2
169.12439	0.2
171.10287	5.4
172.10620	0.2
173.02429	0.2
175.07570	0.3
177.01918	0.3
178.06032	0.2
179.03539	0.4
181.12341	1.8
185.11832	1.1
189.01918	0.3
189.09256	0.3
191.05629	0.2
191.10980	0.2
197.11801	0.5
199.09665	0.3
199.13371	0.8
201.05501	0.2
201.11322	2.3
203.03493	0.3
203.07076	0.4
205.05104	0.5
207.10277	11.3
208.10666	0.8
209.11842	28.4
210.12180	1.8
211.13348	0.5
212.77266	0.2
215.12894	0.2
221.11942	0.3
225.11333	8.9
225.13550	0.4
226.11734	0.7
227.12906	3.7
228.13086	0.3
235.08217	1.0
243.12451	1.0
245.08208	0.3
251.13159	0.3
253.09317	3.1
271.06161	0.7
287.05820	0.2
288.06329	0.2
289.07281	1.4
311.05707	0.3
399.21695	0.6
417.22717	0.7
443.19183	0.5
461.20294	2.8
462.20819	0.4
479.21124	0.3
531.33203	2.0
532.33533	0.3
635.30957	1.1
653.32141	1.1
654.32178	0.4
657.89124	0.2
671.32922	2.0
672.33301	0.9
689.33722	0.6
690.33380	0.3
703.88715	0.2
721.36676	1.6
722.37128	0.3
753.35028	1.6
754.34906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50488	0.9
55.77219	0.7
57.03418	2.7
59.01370	6.8
61.98812	2.1
69.03448	1.5
71.01382	4.8
72.99302	1.2
75.00852	1.8
81.03436	3.6
83.00983	0.8
83.01391	8.3
83.02213	0.8
85.02911	2.8
87.00848	3.1
89.02402	2.4
89.03947	2.0
90.69083	0.9
93.03471	5.3
95.01325	1.0
95.04988	3.4
96.95975	1.0
97.02944	7.6
99.00853	1.2
99.92577	0.9
101.02418	3.1
105.03471	1.4
107.04979	1.6
108.02188	6.5
109.02969	26.6
111.00824	1.5
113.02402	3.3
116.92802	1.2
117.03417	2.8
119.03460	0.8
119.04998	1.2
120.40903	0.8
121.02978	5.9
122.03750	1.6
123.04539	20.3
125.02464	26.0
126.02741	0.8
133.02960	10.3
135.00768	1.1
135.04486	3.2
137.02455	34.1
138.02692	1.9
139.03981	4.6
145.02982	4.4
146.03645	1.5
147.04457	2.0
149.02477	9.6
150.03116	1.7
151.04028	12.5
155.10782	1.7
159.04521	4.0
160.01660	1.3
160.05292	1.6
161.02458	48.0
161.06110	6.9
162.02916	3.5
163.00311	2.4
163.03896	2.4
164.01192	4.5
165.01920	4.8
167.03450	2.5
173.04491	2.0
173.06049	2.2
174.03125	1.6
175.02710	0.7
175.03984	6.1
175.07588	1.0
176.01086	3.1
177.01939	48.4
177.05426	1.5
178.02235	1.6
179.03496	6.4
179.10744	1.4
183.04489	1.7
185.06010	0.9
187.04059	6.3
188.04742	4.9
189.01976	5.9
189.05347	1.0
190.02618	0.9
191.03935	0.9
191.05621	7.7
197.05960	1.4
199.04002	1.5
199.07553	1.2
200.04478	1.0
201.05510	1.8
202.06284	2.2
203.03551	3.8
203.07159	15.6
204.07405	0.9
205.01370	3.7
205.05055	10.6
211.03952	1.2
211.07542	1.2
212.04437	1.0
213.05533	1.8
214.06171	1.4
215.03398	3.1
215.06873	1.0
216.00533	2.8
216.04141	1.6
217.01418	3.8
217.04820	1.1
221.06142	0.9
221.08118	3.4
227.03421	5.0
227.06961	1.7
228.04053	1.0
229.01308	3.6
229.04851	1.3
230.05623	0.9
231.02815	2.2
239.10661	1.5
241.04872	3.0
242.05730	1.1
243.02917	1.9
244.03662	2.5
245.04379	1.4
245.08176	19.9
246.08383	2.1
247.05989	1.8
253.05054	1.6
255.02840	1.3
255.06381	0.9
257.04437	3.5
257.08066	2.1
258.05307	4.4
259.06036	6.0
260.06293	1.0
265.04971	1.2
266.05634	1.2
269.04413	2.3
271.02551	1.0
271.05905	3.0
273.07492	1.1
281.04297	2.4
282.05087	1.2
283.02454	0.9
283.05908	1.4
283.09515	1.1
284.03162	1.7
285.03775	2.8
285.07114	1.0
286.04514	2.6
289.07172	100.0
290.07462	9.2
293.04361	1.9
295.02359	2.2
296.02948	1.3
297.03918	1.8
299.05505	5.1
301.07169	55.4
302.07553	5.1
308.03146	1.6
309.03983	1.3
311.05396	1.2
313.07034	2.5
321.04102	4.6
325.03308	1.3
327.08673	0.9
329.06448	1.7
338.04160	1.9
339.05017	6.3
340.05774	1.8
341.06555	3.8
351.08777	5.8
353.06583	5.8
379.08145	1.2
383.11804	1.3
407.07181	1.9
407.11874	1.0
415.07886	1.1
419.06937	0.9
421.09241	1.3
430.06662	1.2
431.07492	1.0
433.08505	2.2
445.08987	2.7
446.09344	1.1
449.02756	1.2
449.08716	18.6
449.14517	0.8
449.19650	1.5
450.08813	2.9
451.04822	1.3
451.10349	17.6
452.10251	2.8
459.06711	4.6
463.10349	28.3
464.10660	4.6
487.10114	0.9
505.10928	1.0
531.29230	2.3
539.13184	1.1
541.10870	0.9
583.04211	1.3
583.12463	18.2
584.12732	3.7
601.13501	37.4
602.13794	8.5
603.13733	0.9
735.16705	4.3
736.17047	1.3
753.17871	36.6
753.28668	3.8
754.18372	11.0
754.29761	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19226	0.0
61.98830	100.0
62.98530	0.2
62.99258	0.1
68.50608	0.0
71.01395	0.1
72.49218	0.0
88.98808	0.1
96.96092	0.0
98.19879	0.1
109.02967	0.1
120.00995	0.0
125.02463	0.2
137.02472	0.1
161.35420	0.0
165.02013	0.1
171.10278	0.1
207.10291	0.1
209.11835	0.4
225.11479	0.1
253.09366	0.1
271.06186	0.1
289.07431	0.1
360.53326	0.0
377.57654	0.1
753.30841	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	752.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41425	0.1
56.32233	0.1
57.03440	0.2
59.01378	0.5
61.98828	100.0
62.98543	0.2
63.99246	0.2
69.26221	1.2
71.01391	0.3
78.95913	0.2
85.02986	0.1
87.00889	0.2
88.98839	0.3
96.96025	0.3
101.02499	0.2
109.02986	0.2
116.50055	0.1
116.92889	0.3
121.03002	0.1
122.03804	0.1
123.04537	0.2
124.77172	0.1
125.02493	0.5
126.77813	0.1
137.02460	0.4
139.04073	0.1
149.02271	0.1
151.04030	0.2
152.99623	0.1
161.02461	0.2
161.06050	0.1
163.11298	0.2
165.01974	0.3
171.10381	0.3
207.10292	0.3
209.11806	0.8
210.12202	0.1
211.13405	0.3
212.13824	0.2
225.11424	0.4
227.12985	0.1
253.09183	0.2
271.06073	0.1
282.54779	0.1
289.07236	0.4
290.07733	0.2
301.28619	0.1
307.18979	0.1
314.97253	0.2
429.26254	0.2
452.10153	0.2
489.28534	0.2
591.29517	0.2
734.39441	0.2
753.37866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.43
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03449	1.0
58.00596	0.5
59.01086	0.4
59.01376	5.8
61.98825	3.0
65.76877	0.2
65.98812	0.2
66.36545	0.2
68.24462	0.2
69.03461	2.6
69.81740	0.3
69.82143	0.9
71.01383	4.2
71.05032	0.7
72.99331	0.3
73.02951	0.8
78.95908	0.4
80.02695	0.3
81.03455	0.3
83.01414	0.5
83.05037	0.8
85.02959	1.5
85.06585	0.5
87.00900	1.1
87.78867	0.2
89.02448	2.7
91.18603	0.2
93.03494	0.3
93.07114	0.3
95.01398	0.4
95.05022	0.7
97.02948	1.2
97.06596	0.3
101.02454	4.2
109.02975	0.3
109.06613	0.8
111.08170	6.3
112.08477	0.2
113.02453	2.2
119.03514	1.1
123.08192	0.3
125.02443	0.5
125.09719	0.6
127.07666	0.5
133.05103	0.3
135.11819	0.4
136.83298	0.2
137.09828	0.2
141.09213	0.3
143.03522	0.3
145.05083	0.5
149.09726	0.6
151.11304	0.8
153.09218	0.5
153.12840	0.6
161.04543	1.7
161.13362	0.4
163.11255	0.3
165.12848	0.6
167.10771	3.5
169.12357	2.1
170.12515	0.3
171.10254	0.4
177.12915	0.8
179.05682	1.0
179.10800	1.4
179.14424	3.4
181.12373	0.6
183.13892	0.3
193.12329	0.3
193.15913	0.3
195.13907	9.5
196.14255	0.7
197.11836	32.8
198.12172	2.0
199.13432	2.0
205.12335	9.3
206.12726	0.8
209.11925	0.4
211.13406	4.4
212.13684	0.3
221.11768	0.4
223.13390	100.0
224.13728	7.4
225.11247	0.3
225.14948	0.3
227.13013	1.0
229.19655	0.2
235.08232	6.3
235.10611	0.3
236.08571	0.3
247.20630	0.4
249.14980	0.4
253.09259	13.1
254.09618	0.9
263.20139	1.6
265.18146	0.9
273.18634	0.6
291.19647	14.5
292.19937	1.4
293.21072	0.2
309.20700	45.3
310.21051	5.6
389.28754	0.2
433.20804	0.7
441.21280	0.5
459.22357	12.5
460.22723	1.8
490.04059	0.3
515.33734	0.9
527.28632	0.9
545.29553	1.7
733.38757	0.3
751.42798	1.7
752.43243	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.9
59.01368	15.8
61.98825	20.6
69.03456	4.1
70.93851	1.4
71.01382	15.1
71.04988	1.7
71.29169	4.1
73.02950	4.0
78.95915	5.1
79.23946	1.5
81.00349	1.2
81.03461	2.4
83.01368	1.8
83.05030	5.5
85.02966	4.9
85.69678	1.3
87.00871	1.6
89.02451	5.2
95.05039	5.4
97.02966	3.4
99.85208	1.5
101.02444	10.0
109.03021	2.3
109.06574	2.5
109.35934	1.7
110.03783	2.2
111.08146	9.6
111.30038	1.3
113.02465	4.7
116.92876	2.3
119.03519	2.8
149.09666	1.4
161.04543	4.3
163.29181	1.5
167.10751	7.1
171.10287	4.1
177.12846	9.2
179.10764	4.1
179.14433	3.9
193.12337	2.1
195.13925	24.7
196.14206	2.0
197.11801	4.6
203.10846	2.6
205.12279	12.5
206.12730	2.0
209.11833	3.8
211.13416	6.0
221.11824	45.4
222.12279	2.6
223.13383	100.0
224.13687	8.7
235.08257	5.9
239.12871	73.8
240.13246	5.7
247.20645	2.4
253.09286	27.8
254.09637	1.9
256.13095	1.7
273.18713	1.9
275.20209	8.6
276.86313	1.5
291.19635	85.7
292.20050	12.1
293.21216	72.4
294.21518	11.0
309.20767	1.7
457.20670	3.5
459.22281	3.9
475.21887	8.1
541.58667	1.6
597.16473	1.9
751.42322	7.9
752.42535	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	750.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99357	0.1
59.01379	2.8
59.91879	0.1
60.01708	0.2
61.38773	0.1
61.98832	100.0
62.98539	0.2
70.98051	0.1
70.98389	0.2
78.95931	0.2
84.02796	0.1
88.22505	0.1
101.48415	0.1
107.28394	0.1
152.99594	0.2
157.06680	0.1
176.27693	0.1
197.58844	0.1
199.07295	0.1
202.13101	0.1
222.78104	0.1
261.79123	0.1
277.21866	0.1
354.52692	0.1
363.37497	0.1
425.89059	0.1
439.13342	0.1
441.68271	0.1
476.18735	0.1
515.14032	0.1
528.15125	0.1
529.15491	0.3
615.20306	0.1
616.19666	0.5
617.20642	1.7
618.21136	0.2
649.19806	0.2
690.23682	0.2
750.24658	2.9
751.24152	0.8
751.37067	0.1
763.89307	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	750.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35526	0.1
57.85096	0.1
59.01376	0.7
61.98831	100.0
62.98531	0.2
62.99263	0.1
63.99246	0.2
71.01388	0.8
71.59039	0.1
72.99310	0.1
78.95928	0.2
83.01392	0.1
85.02982	0.1
87.00879	0.2
88.98824	0.3
89.02451	0.4
89.37029	0.1
96.96045	0.2
97.03024	0.1
101.02476	0.3
105.01997	0.1
109.02990	0.1
113.02468	0.2
116.92879	0.2
119.03545	0.1
123.04543	0.1
125.02460	0.3
135.04521	0.1
137.02477	0.2
143.03484	0.1
151.41705	0.1
152.99583	0.1
161.02481	0.1
161.04630	0.1
163.11447	0.1
165.02020	0.2
171.10283	0.2
179.05649	0.1
188.04953	0.1
194.14388	0.1
195.12263	0.1
195.13945	0.2
195.86160	0.1
197.11971	0.1
207.10332	0.2
209.11839	0.6
210.12244	0.1
211.13443	0.2
223.13486	0.2
225.11455	0.2
227.12805	0.1
230.05911	0.1
235.08167	0.1
237.48128	0.1
245.08636	0.1
247.94106	0.1
253.09296	0.1
271.06256	0.1
275.20203	0.1
275.78955	0.1
289.07309	0.2
293.21225	3.0
397.13547	0.9
415.14548	1.1
451.93390	0.1
490.16156	0.1
527.34082	0.1
528.33887	0.3
636.50854	0.1
691.36194	0.2
697.70544	0.1
732.37250	0.1
750.39844	0.1
751.29022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	4.5
58.00592	1.5
59.01085	1.8
59.01370	16.8
61.98832	19.3
68.99822	2.0
71.01378	22.6
72.99300	9.4
73.02962	2.4
75.00867	25.8
78.95906	2.0
80.91708	1.4
84.02133	1.1
85.02955	25.2
87.00883	8.7
89.02474	4.1
95.01380	7.5
97.73962	1.1
98.19926	2.9
99.00890	19.1
103.00368	2.5
109.06580	1.9
113.02458	27.5
115.00356	2.7
117.01932	2.6
125.09762	1.5
129.01956	2.1
145.48991	1.1
157.01364	3.6
161.09811	1.5
163.11377	1.8
171.10280	21.4
175.02492	4.1
181.12367	1.3
197.11827	1.4
199.09761	4.2
201.11324	3.5
205.07236	1.5
207.10262	5.2
225.11307	5.4
249.06195	6.1
255.23265	100.0
256.23633	8.0
263.62860	1.3
307.11789	1.2
333.34555	1.3
431.15378	1.2
432.67673	1.2
452.79352	1.2
487.29288	3.3
505.29944	6.6
506.30499	1.5
659.40155	30.0
660.40424	6.7
687.39746	28.9
688.40033	5.9
695.17407	1.4
713.41370	42.7
714.41827	11.0
726.19672	1.5
731.42310	35.4
732.42639	10.6
749.43164	5.8
750.44000	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	749.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02965	1.9
55.01857	2.0
57.03451	17.3
59.01389	14.7
59.01654	3.5
70.93593	5.9
71.01385	19.8
72.34290	1.8
72.99306	4.9
73.02945	7.1
75.00872	30.6
78.95930	3.7
79.63315	2.4
81.03452	6.9
83.01394	11.2
85.02951	7.7
87.00872	2.7
89.02450	9.0
93.03454	8.5
95.01406	5.8
95.05016	6.4
96.96011	7.2
96.96975	6.2
97.02960	5.3
98.95656	2.6
99.00893	20.0
99.04528	5.2
101.02442	12.1
105.03465	2.9
108.02193	4.1
109.02962	18.5
111.00937	3.2
113.02451	7.1
119.05045	6.2
121.02971	9.7
122.03728	2.6
123.00859	4.8
123.04546	21.0
124.01639	3.6
124.04879	3.0
125.02459	92.6
126.02682	3.1
127.00369	2.2
133.02959	5.1
135.03015	66.6
135.04575	6.7
137.02472	32.2
139.03987	6.1
145.02962	5.7
147.00833	3.5
147.04578	2.4
149.02493	11.4
151.04013	14.0
159.03018	5.0
159.04448	5.3
161.02496	23.2
161.04544	6.8
161.05980	3.8
162.03200	3.7
163.00359	13.0
163.04013	9.2
164.01169	19.0
165.01933	26.4
165.04030	3.5
165.05573	2.3
167.03517	55.2
167.04922	5.0
168.03828	2.8
171.04521	3.6
173.02444	4.3
174.03146	4.2
175.02635	3.7
175.04022	23.6
177.01958	28.7
177.05531	2.4
179.03534	4.6
183.04521	5.8
185.02583	2.4
185.06071	4.8
187.03995	7.6
187.71602	2.4
191.05530	2.8
195.04488	4.9
196.05127	4.7
197.04475	3.3
197.06061	10.3
198.03145	3.4
199.04013	15.7
201.01923	8.6
201.05550	5.6
203.03468	6.9
205.01430	4.4
205.04951	3.8
207.02847	2.2
209.06029	7.0
210.03365	2.3
211.03989	13.4
211.07477	2.9
212.04781	7.7
213.01913	3.0
213.05614	14.5
214.02744	3.2
214.05920	2.9
215.03545	10.3
215.07137	2.8
217.05035	8.8
219.06787	2.7
221.06078	2.7
223.04086	10.2
224.04695	5.6
225.05573	18.4
226.02641	3.8
226.06183	3.2
227.03481	19.2
227.07100	2.5
228.04254	5.0
229.05034	12.8
231.02962	5.9
235.03934	5.8
236.04706	5.7
237.05559	13.5
238.06302	4.6
239.03485	25.9
239.05861	2.1
239.07051	5.1
240.04169	10.1
241.01286	2.9
241.05089	31.7
242.02176	3.5
242.05307	3.1
243.02960	21.2
243.06566	3.9
245.04465	2.9
247.06067	5.9
248.04771	4.3
249.05495	8.3
251.03444	8.8
251.07124	7.3
252.04242	6.8
253.05022	23.1
254.02083	2.9
254.05748	7.9
255.02989	23.2
255.06590	7.9
256.03653	4.2
257.04559	18.1
260.69312	2.2
261.05737	2.5
263.03510	4.5
263.07101	7.8
264.04199	7.0
265.04993	25.9
266.02164	3.0
266.05649	4.0
267.02884	14.5
267.06793	3.7
268.03644	8.5
269.04492	26.7
269.10376	3.5
270.05130	3.0
271.02722	3.2
271.05981	4.8
273.04025	3.9
275.07050	3.2
277.05026	7.7
277.08768	2.4
278.05640	3.5
279.02948	11.1
279.06421	6.0
280.03772	11.8
281.04501	27.6
281.07617	2.4
282.01617	8.3
282.05081	7.0
283.02454	30.2
283.06073	11.8
284.03030	4.4
285.03729	10.5
287.05652	9.0
291.03113	4.3
291.06586	5.8
292.03842	5.1
293.04605	17.2
293.07867	3.6
294.05234	4.6
295.02444	21.5
295.06036	5.9
296.03186	15.6
297.04007	43.5
298.04584	6.9
299.05377	4.8
303.02994	2.1
303.06516	4.9
305.04572	4.7
305.07825	2.6
306.05350	3.2
307.02710	4.5
307.06070	16.9
308.03152	4.4
308.06564	3.5
309.04037	39.5
310.04565	4.6
311.05484	5.1
313.09293	22.3
314.09686	5.5
315.06543	4.5
317.04507	4.5
317.08032	3.2
318.05127	3.6
319.06161	4.8
319.09558	2.6
320.03317	2.7
321.04089	3.3
321.07614	2.6
323.01993	13.6
323.05267	3.9
323.13498	10.9
324.02481	3.4
325.03467	18.9
325.07227	11.1
326.04062	4.8
327.05133	7.9
329.08414	2.5
331.06021	6.4
333.07666	6.0
334.04691	2.8
335.01990	3.5
335.05783	4.4
336.02802	4.9
337.03412	17.6
337.06949	4.1
339.05103	7.0
343.06030	3.8
345.03833	3.4
345.07645	3.9
347.05255	3.8
349.03336	2.9
351.05066	6.6
355.05917	3.4
359.05685	4.9
360.06140	2.8
361.07407	12.8
363.01169	2.6
369.06424	3.3
373.07028	7.0
375.08829	4.7
377.06564	5.4
379.08246	8.5
381.05997	2.9
387.04852	3.2
389.06668	6.7
391.08267	4.4
393.05911	2.2
401.06540	5.2
407.07715	29.4
408.08121	2.8
417.06009	6.3
419.07632	15.5
421.05280	3.5
423.07181	100.0
424.07571	15.1
431.07651	5.1
435.06870	3.7
443.07703	2.3
445.05609	22.5
446.06210	5.3
447.07104	40.4
448.07477	4.4
449.08911	28.2
450.08911	3.5
459.06995	4.1
461.04843	24.1
462.05386	4.2
463.06567	29.5
464.07120	3.5
465.08432	2.7
477.08411	4.1
487.06818	33.1
487.13773	5.0
488.07040	5.3
501.07825	4.6
505.07535	8.6
513.12085	17.6
514.12366	2.6
521.07025	3.9
531.13312	12.3
532.13043	3.3
533.07501	4.6
551.09143	3.0
552.08691	3.2
553.09808	7.8
557.10864	10.8
563.08289	7.6
569.10284	10.4
573.10468	4.2
575.11993	56.5
576.12274	11.4
579.07709	15.4
580.08368	6.0
581.09503	9.9
585.10046	2.8
595.09106	5.0
597.08820	96.7
597.18439	4.9
598.09277	18.5
613.09540	24.3
614.10297	3.3
631.10864	7.4
659.11182	3.1
671.10638	2.7
703.13062	6.7
704.13678	2.5
731.12567	18.5
732.13281	3.8
749.13855	8.4
750.14264	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	748.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82417	0.1
59.01344	0.1
61.98829	100.0
62.98536	0.2
70.47285	0.2
70.47683	0.1
71.01383	0.1
78.95914	0.1
98.19957	0.1
171.10298	0.1
207.10358	0.1
209.11859	0.1
223.13414	0.1
225.11397	0.1
236.10651	0.1
241.95872	0.1
261.35968	0.1
437.70731	0.1
575.18964	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	748.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97647	0.1
59.01365	0.3
61.98827	100.0
62.98536	0.1
64.04149	0.1
71.01399	0.1
75.00893	0.1
78.95918	0.6
85.25951	0.1
85.95671	0.1
88.98840	0.1
96.96992	0.2
98.19755	0.2
104.50796	0.1
109.06557	0.2
116.92847	0.1
120.87732	0.1
124.75105	0.1
125.02486	0.2
140.01175	0.2
152.99635	0.2
171.10313	0.5
196.03893	0.1
207.10326	0.4
209.11891	0.3
211.13486	0.4
212.13765	0.1
219.98453	0.1
223.13432	0.4
224.13824	0.2
225.11328	0.5
230.27333	0.2
255.23257	0.2
293.21396	0.4
302.43942	0.1
358.90933	0.1
403.54446	0.1
481.12213	0.1
730.39734	0.2
748.40991	0.2
748.52759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57908	3.2
58.62304	3.9
61.98821	13.8
70.57951	8.1
73.48192	3.1
73.90505	3.1
78.95911	24.3
98.20573	4.2
107.89331	3.3
126.27990	3.1
152.99608	29.2
171.00685	4.7
255.23299	100.0
256.23465	6.0
263.79306	3.6
277.21738	39.1
278.22006	8.2
279.23318	13.0
507.26959	10.8
743.48834	64.4
744.49115	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	747.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29399	0.4
59.01379	100.0
60.01713	1.6
61.98856	2.5
62.02179	0.4
71.18318	0.4
71.54327	0.8
78.95930	1.7
115.53344	0.4
133.97678	0.5
152.99620	1.2
164.04196	0.4
195.34442	0.5
196.14645	0.5
255.23264	2.7
281.24860	1.9
282.25250	0.8
439.14197	0.5
453.11600	0.5
455.17184	3.1
456.17825	0.8
459.16541	0.5
469.11578	1.2
473.18280	4.3
474.18155	0.8
481.15070	0.7
483.13055	1.0
487.19504	0.5
496.13708	2.1
497.13998	0.5
499.16174	0.6
509.28720	0.7
510.29425	0.5
511.15604	1.8
512.06073	0.8
512.13348	9.9
513.13702	2.4
525.14026	0.7
526.14935	11.3
527.15253	4.2
569.16919	1.6
570.17267	0.6
586.16840	0.7
599.17719	1.5
600.18823	1.0
601.19287	3.6
602.19568	1.3
613.19147	1.2
614.20319	68.5
615.20575	21.1
618.16223	0.8
632.18170	1.3
646.19336	9.7
647.19281	2.4
673.21423	0.8
687.23370	4.6
688.23663	2.0
702.00232	0.5
732.64789	0.6
747.25360	58.8
747.52271	1.4
748.25800	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	747.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
56.14680	0.4
57.03445	3.7
58.00585	0.5
59.01372	14.8
59.01674	0.8
60.69521	0.5
61.98823	1.5
67.01888	0.7
68.47529	0.4
68.99842	0.7
69.03459	1.0
70.58337	0.6
70.58704	1.3
71.01379	20.8
71.01773	1.0
72.01705	0.7
72.64850	0.5
72.99313	6.4
73.02938	0.7
75.00870	23.5
78.95907	0.9
80.02676	1.1
81.03471	2.0
83.01380	2.1
84.02168	1.6
85.02950	26.3
86.03278	0.6
87.00875	7.7
88.68939	0.4
89.02452	3.7
94.05794	0.4
95.01389	6.0
95.05016	0.7
98.19939	0.5
99.00881	13.3
99.04561	0.5
100.01206	0.6
101.02466	0.7
103.00398	2.4
109.06493	0.6
111.00860	0.7
113.02454	25.2
114.02766	0.6
115.00382	3.2
117.01946	3.1
125.09769	0.7
127.04017	0.5
129.01941	1.8
129.13673	0.5
131.03485	0.7
135.08159	0.7
139.00371	0.8
152.99573	0.8
157.01424	1.0
163.11308	3.6
165.12848	1.7
175.02464	2.6
181.12442	0.5
191.10791	0.8
193.03616	0.6
205.07080	0.6
209.11816	41.9
210.12149	2.6
224.87601	0.5
227.12878	2.3
237.22188	0.5
249.06096	3.0
255.23265	100.0
256.23590	11.2
267.19589	1.4
268.20084	0.9
312.18954	0.8
437.80341	0.8
447.52441	0.6
459.18741	0.9
487.28940	0.6
505.30145	3.1
532.86108	0.5
648.62469	0.6
662.78363	0.5
697.41479	0.9
715.42841	89.1
716.43250	23.2
719.99365	0.5
747.45465	98.4
748.45941	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.9
61.98800	0.4
73.54605	0.5
78.95906	34.8
87.14574	0.4
95.66311	0.4
96.96968	2.9
136.40779	0.4
145.63843	0.4
150.98048	0.5
152.99599	44.9
153.99971	1.2
154.01691	0.4
156.19310	0.4
171.00667	3.6
188.59856	0.5
189.64192	0.4
197.46666	0.4
209.02229	0.5
227.03244	5.4
229.16974	0.5
232.16866	0.4
232.97469	0.8
245.04326	1.2
253.21703	30.5
254.22023	2.6
254.71167	0.4
255.23247	1.2
259.20636	0.5
275.20401	0.7
277.21704	85.5
278.22061	9.0
413.21002	2.8
463.24768	0.6
478.86649	0.6
483.27298	0.5
487.24655	1.5
505.25671	100.0
506.26035	17.2
741.47235	33.6
742.47662	10.9
749.99542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76010	0.6
57.03435	1.1
59.01377	4.8
60.99304	0.5
61.98830	49.6
69.03427	1.4
71.01387	6.5
71.05024	0.7
71.59596	0.9
73.02942	2.8
75.00860	1.7
78.95915	0.7
80.44852	0.6
80.89990	0.5
81.03431	1.1
83.01382	1.7
83.05052	0.6
84.89587	0.5
85.02953	6.1
87.00872	1.8
87.04503	1.2
88.98816	2.7
89.02433	1.6
93.03462	3.4
95.01384	3.0
96.96032	2.5
97.02937	0.8
98.95575	0.8
99.00901	1.2
99.04517	0.9
101.02454	3.1
101.06062	1.2
107.01411	0.7
108.02184	66.2
109.02980	31.2
110.03267	0.8
113.02450	2.7
116.92857	1.2
117.03409	0.8
119.05050	4.3
121.02946	2.0
122.03757	0.9
122.97120	0.5
123.00909	3.1
123.04530	1.9
124.01680	1.1
125.02470	5.0
129.01961	0.7
133.03024	1.1
134.03781	0.8
135.04500	1.6
135.08119	1.3
137.02473	2.7
137.08965	0.5
137.09750	6.3
143.03500	0.7
145.02948	2.9
149.02309	0.6
149.99503	1.3
150.03212	0.6
151.00331	1.8
151.04012	2.2
152.01167	64.5
153.01965	21.9
154.02299	1.1
155.10802	24.7
155.12074	1.3
156.11116	1.6
159.02936	0.7
160.01634	0.6
161.02451	1.9
161.04594	0.6
161.05980	0.6
163.04034	3.8
165.01920	1.2
165.05594	0.6
168.00606	2.5
169.01335	0.7
169.12299	0.6
175.03943	1.2
177.01875	0.6
177.04068	1.0
178.99940	0.8
179.10809	0.8
181.08719	2.6
191.05591	1.3
197.00877	1.0
199.09747	8.3
200.10248	0.9
203.07176	0.7
241.10764	0.7
255.12231	0.7
265.07114	0.6
271.02661	0.8
271.06036	1.4
283.11615	0.9
285.03998	1.0
287.05417	1.1
289.07159	2.0
315.07254	1.1
337.09311	0.8
445.20911	4.3
446.21481	0.6
489.24762	0.6
507.20798	0.9
521.34216	0.8
681.31201	1.0
683.38177	1.6
743.27704	100.0
744.28088	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	741.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98848	0.4
71.05890	0.8
78.95904	35.0
79.29688	0.4
94.35786	0.4
96.96973	3.0
134.98523	0.4
135.47913	0.5
150.98007	0.6
152.99602	47.1
153.99921	0.8
171.00626	4.1
227.03293	4.5
245.04207	1.0
253.21696	29.2
254.21997	2.6
255.23198	2.7
259.20593	0.7
275.20169	1.0
277.21701	80.9
278.22073	8.8
279.23221	1.6
280.23520	0.8
281.24869	0.6
297.75732	0.4
413.20920	3.0
463.24493	0.9
483.27130	1.4
487.24786	1.1
505.25681	100.0
506.26022	16.1
526.38446	0.5
741.47180	35.8
742.47327	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	741.409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
56.17590	0.4
57.03448	1.7
59.01382	5.9
60.99310	1.4
61.98828	8.4
69.03452	0.6
69.63691	1.0
69.64097	2.3
71.01379	6.0
72.99319	0.9
73.02954	1.2
78.95910	1.0
81.03457	0.7
83.01398	0.7
83.05063	1.2
85.02969	1.5
87.00887	1.7
88.98814	8.7
89.02456	4.8
95.01419	0.6
95.05031	1.7
97.02965	0.6
97.06603	4.5
99.00873	0.5
101.02442	4.6
111.08173	3.9
113.02472	1.9
116.92875	1.1
118.57865	0.6
119.03523	1.0
133.69635	0.4
143.03499	0.5
149.09740	0.5
149.40654	0.5
151.04027	0.7
151.11310	16.8
152.11621	0.7
152.99626	1.3
153.12953	0.7
161.04538	1.4
169.12355	82.6
170.12689	5.3
171.10229	0.8
179.05687	0.4
185.11726	0.7
193.12431	0.5
195.10277	1.8
197.11847	21.4
198.12167	0.8
199.13416	1.3
209.11903	2.2
211.13446	3.6
213.11336	10.6
214.11528	0.6
227.12854	0.8
235.08139	1.2
253.09256	4.1
255.23412	0.6
263.20175	1.4
277.21677	1.4
279.19629	1.1
289.07123	0.5
291.19601	2.9
295.22906	0.5
309.20776	4.7
431.19382	1.4
449.20319	4.8
505.25583	1.6
741.40759	100.0
742.41101	26.3
742.54620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32739	0.4
55.01867	0.4
57.03452	2.3
59.01373	5.8
60.99300	1.4
61.98826	4.3
67.60713	0.4
69.03454	0.9
69.34753	0.9
69.35156	2.9
71.01382	5.7
72.99326	0.8
73.02963	1.5
73.13671	0.3
78.95914	3.4
80.02658	0.4
81.03443	0.8
83.01408	0.5
83.05034	1.2
85.02962	1.6
87.00891	1.1
88.98808	9.7
89.02454	5.2
95.05032	1.6
97.02982	1.3
97.06590	5.0
98.19859	0.7
99.00889	0.3
99.92585	0.4
101.02454	4.8
109.06613	0.4
111.08170	2.4
113.02445	1.9
116.92892	1.5
119.03516	1.2
121.02972	0.4
123.08207	0.5
125.02427	0.8
125.09727	0.9
133.10342	0.4
137.09787	0.5
143.03629	0.4
145.05101	0.6
147.09700	0.4
149.09766	0.9
151.11307	13.9
152.11581	0.5
152.99603	4.2
153.12788	0.4
161.04536	1.2
163.11299	0.9
165.12849	1.3
169.12347	78.7
170.12686	4.9
171.00626	0.3
171.10275	1.4
179.05693	0.5
181.12376	0.4
185.11845	0.6
195.10246	1.6
197.11823	12.3
198.12184	0.4
199.13374	0.5
207.10257	0.6
209.11856	1.8
211.13414	2.2
213.11317	10.9
214.11714	0.6
223.13252	0.4
227.03313	0.7
227.12889	1.6
235.08327	1.2
247.20540	0.8
247.92726	0.4
253.09241	3.2
253.21738	3.4
254.21996	0.6
263.19952	0.7
273.18314	0.5
277.21701	8.2
278.22079	1.0
291.19653	5.7
292.19919	0.6
294.21713	0.5
309.20700	4.5
327.21786	0.5
343.81702	0.4
431.19321	2.8
432.19931	0.5
449.20367	4.6
450.20560	0.8
458.87415	0.4
505.25662	9.4
506.25848	1.8
579.35516	0.5
604.38947	0.4
723.39410	0.7
741.40680	100.0
742.40991	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98831	100.0
62.98523	0.2
71.01385	0.4
71.49270	0.3
78.95910	0.2
83.05070	0.2
85.03010	0.2
89.02496	0.2
101.02472	0.3
105.01928	0.8
112.39622	0.1
113.02508	0.2
116.92879	0.8
137.60309	0.1
145.02951	0.2
163.11328	0.2
169.12474	0.3
171.10379	0.2
183.13919	0.4
197.11827	0.8
198.12216	0.4
199.13391	0.2
209.11861	1.9
210.12219	0.3
211.13412	3.6
212.13773	1.6
227.12952	0.5
230.49541	0.2
253.09361	0.7
254.09645	0.2
277.21945	0.4
280.23703	0.2
291.19635	0.3
292.20096	0.3
293.21295	0.5
294.21631	0.5
295.22803	1.1
295.91504	0.2
309.20734	0.9
310.21069	0.8
424.72876	0.2
435.74448	0.2
448.22699	0.3
449.76917	0.1
585.09723	0.1
740.43329	0.5
741.48083	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37632	0.5
59.01373	2.5
63.02412	0.6
65.00325	0.7
71.01399	1.4
73.22118	0.5
81.71740	0.4
83.01384	0.9
83.42603	0.6
85.02960	1.0
87.88023	0.5
89.02460	1.4
93.03479	1.0
98.19862	1.0
107.01415	1.3
108.02199	1.3
109.02983	0.4
116.11088	0.4
119.03469	0.6
121.02974	1.2
125.02464	0.9
135.00906	0.7
137.02487	0.5
138.05640	0.8
148.01688	1.0
151.00388	6.1
151.04054	0.7
161.02440	0.9
163.00381	0.8
163.04070	0.5
164.01166	0.6
177.04131	0.6
178.99872	4.7
179.05667	0.8
180.06718	0.6
191.05605	10.5
192.05968	0.7
199.03914	0.9
202.21858	0.5
205.63026	0.5
211.04085	0.5
215.03694	0.4
220.56828	0.4
226.02713	1.7
227.03462	3.0
243.02957	9.9
244.03474	1.1
254.02190	2.4
255.02960	25.5
256.03223	2.4
257.04553	0.6
271.02448	56.3
272.02914	6.0
273.03726	0.7
289.07208	1.2
299.01981	2.8
300.02740	100.0
301.03259	14.3
302.03595	0.5
337.09219	2.1
338.09949	0.5
357.13797	0.5
491.39386	0.5
519.04218	0.5
528.85822	0.6
622.50409	0.5
741.18866	66.5
742.19153	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	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.03443	0.4
58.00598	0.3
59.01375	4.4
60.99267	0.2
61.98837	1.0
71.01385	3.5
71.04998	0.2
72.99313	0.6
73.02943	0.5
75.54758	0.2
78.95916	0.3
80.02680	1.1
81.03458	0.8
83.01388	0.6
83.05028	4.6
84.02188	0.6
85.02959	0.8
87.00877	0.8
88.98811	1.3
89.02454	2.7
95.01424	0.3
95.05041	0.6
95.57347	0.2
97.06577	0.3
99.00908	0.2
101.02455	3.3
104.42023	0.2
109.06596	0.3
111.08163	0.5
113.02460	2.1
113.09718	0.4
119.03507	0.9
121.10233	0.3
125.02489	0.4
125.06114	0.5
133.59962	0.2
135.08167	0.4
143.03506	0.3
161.04573	1.6
163.11311	3.4
164.11610	0.2
165.12862	2.1
167.10701	0.2
169.12245	0.3
171.10287	1.3
177.12865	0.3
179.05626	0.6
179.10730	0.2
179.14423	1.1
181.12386	0.6
191.10808	1.1
195.13907	7.1
196.14529	0.8
199.13382	0.4
204.32341	0.2
205.12315	0.6
205.15979	0.4
209.11829	100.0
210.12152	8.1
211.13448	1.1
223.13379	5.3
224.13876	0.5
225.15025	0.3
227.12875	12.4
228.13339	1.5
229.14394	0.2
229.24673	0.2
231.21159	0.5
235.08244	2.2
239.12856	0.2
253.09267	17.7
254.09592	1.3
256.13120	0.7
265.21628	0.3
275.20151	7.8
276.20453	1.0
291.19711	0.3
293.21207	90.1
294.21545	9.8
445.20807	1.2
468.42847	0.2
485.32648	0.8
492.22089	0.4
503.33780	0.4
518.49274	0.2
529.29993	0.9
536.76483	0.2
636.40698	0.2
670.36353	0.3
739.41309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03438	1.3
58.00601	0.8
59.01381	9.3
61.98832	30.4
64.48252	0.5
69.03447	1.3
71.01385	10.2
71.05018	2.1
73.02954	2.0
78.95901	6.5
83.01374	0.7
83.05031	1.5
85.02950	2.7
87.00878	2.0
89.02438	4.4
95.01400	1.3
95.05038	0.7
96.96049	1.0
96.97006	0.8
97.02962	3.8
97.06575	1.5
99.00897	11.6
101.02445	5.7
109.06602	2.5
110.03757	1.5
111.08177	0.8
113.02467	3.2
116.92825	0.7
119.03455	1.1
123.08135	0.8
125.02417	1.1
125.09748	6.4
127.11309	1.1
135.08147	0.9
142.02766	1.1
143.03471	0.7
152.99571	2.7
161.04514	1.4
163.11285	7.6
169.12308	0.7
171.10291	19.5
172.10565	1.6
179.10812	0.7
180.39348	0.7
181.12366	16.0
182.12711	0.8
183.13911	1.7
189.09198	0.9
195.13872	1.0
197.11852	2.1
199.13405	27.2
200.13739	1.1
201.11322	4.9
207.10274	36.6
208.10583	2.3
209.11891	2.6
211.13388	11.9
212.13715	0.9
223.13264	0.8
225.11324	64.5
226.11656	4.5
227.12953	6.4
231.09454	0.6
235.08250	3.2
243.12357	13.6
244.12607	1.3
253.09297	7.8
267.19562	0.9
275.20081	1.5
277.21719	59.8
278.22092	6.4
291.19635	5.9
293.21246	5.1
306.54242	0.7
397.13135	0.8
429.20615	0.8
435.99075	0.7
445.19647	1.2
447.21567	0.8
461.20190	9.0
463.21451	1.0
479.21118	2.1
721.42267	4.4
722.42175	1.5
739.42816	100.0
740.43182	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	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11606	0.7
57.03448	1.6
59.01377	9.0
61.15669	0.7
61.98829	18.1
70.85637	2.5
71.01382	8.9
71.32567	0.8
73.02970	1.3
76.77360	0.8
78.95897	1.7
83.01376	1.2
83.05022	1.1
85.02971	2.6
87.00879	2.4
88.98801	0.9
89.02435	5.1
96.64844	0.8
97.06602	1.8
99.00877	0.7
101.02441	6.9
109.34017	0.7
111.07018	0.7
111.08174	4.0
113.02456	4.3
113.09743	1.3
119.03506	1.4
120.15855	0.7
125.02448	1.0
145.05077	1.1
151.11305	1.3
161.04570	2.5
163.11285	1.3
165.12852	10.1
169.12328	1.2
171.10301	1.7
183.13910	100.0
184.14302	6.3
195.13937	9.0
197.11819	3.6
199.13403	1.8
207.10298	2.1
209.11835	24.2
210.12210	1.4
211.13409	14.7
223.13403	5.5
225.11320	1.4
227.12860	8.9
235.08363	4.3
235.10321	0.8
253.09277	11.0
275.20111	6.6
276.20541	0.8
277.21710	2.3
291.19608	2.6
293.21213	58.3
294.21600	6.9
295.22684	2.3
309.20599	4.1
323.50247	0.9
351.09109	1.0
405.57605	0.9
445.20474	1.7
463.22220	3.5
739.42822	98.2
740.43201	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	739.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
57.03440	1.8
57.48595	0.7
59.01380	9.4
61.98832	5.6
69.03432	0.8
70.89050	1.4
71.01382	6.7
71.05018	2.2
72.26145	0.6
73.02953	1.8
74.32260	0.7
78.95907	11.7
80.50193	0.6
83.05036	0.9
85.02965	1.6
87.00859	1.8
89.02448	3.4
95.01405	0.7
95.04977	1.0
96.96946	1.4
97.02969	3.1
97.06571	2.1
99.00895	10.7
101.02455	5.6
109.06628	1.4
111.08164	1.4
113.02448	2.4
119.03514	0.8
123.08181	1.9
125.02459	1.6
125.09727	5.6
132.45328	0.6
137.09737	0.9
138.71983	0.6
145.05084	0.9
152.99614	6.2
157.04974	0.6
161.04535	2.0
161.09763	0.8
163.11288	6.6
167.10725	0.6
171.10291	15.7
172.10593	0.9
181.12344	10.9
183.13956	1.4
195.13875	2.5
197.11813	1.7
199.13403	13.4
200.13686	0.7
201.11319	2.5
207.10260	23.7
208.10683	1.8
209.11841	2.3
211.13406	15.2
212.04477	0.6
223.13387	1.3
225.11330	45.7
226.11635	3.3
227.12891	5.6
233.22652	0.9
235.08223	4.0
238.82347	0.6
243.12354	6.1
247.77089	0.7
253.09305	7.8
269.21118	0.9
275.20200	1.9
277.21713	69.1
278.22076	7.9
279.23224	1.2
291.19629	15.5
292.19989	1.3
293.21225	14.3
294.21481	1.1
309.20636	0.9
429.20477	2.7
443.19360	1.5
445.20099	1.2
461.20337	5.4
479.21539	1.3
721.42078	5.7
722.41864	1.7
739.42773	100.0
740.43042	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	739.283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92894	0.2
57.03442	0.8
58.00551	0.2
59.01369	3.0
60.99303	1.4
61.98839	1.5
65.03927	0.3
67.01888	5.4
69.03452	1.3
69.67482	1.8
71.01386	4.1
72.99299	0.3
73.02960	0.5
81.03461	1.2
83.01388	0.4
83.05046	1.3
85.02958	5.7
87.00874	5.1
89.02438	0.2
92.45918	0.2
93.03463	35.4
94.03810	1.0
95.01386	0.5
97.02934	0.3
98.19933	0.5
99.00911	0.7
99.04519	0.9
108.02175	0.8
109.02961	1.8
111.00865	0.8
111.04527	6.1
113.02438	0.8
115.04006	0.2
117.03474	0.4
119.05038	19.1
120.05375	0.7
121.02943	0.7
123.04508	0.6
123.46891	0.2
125.02447	1.8
127.04006	1.3
127.07579	0.3
129.01898	0.6
133.02948	0.5
137.02472	4.2
143.03543	0.4
145.02966	2.0
149.02512	0.5
151.03975	0.4
152.01154	0.7
153.01976	0.6
155.03510	3.7
161.02429	0.8
163.04018	18.4
164.04338	1.1
164.07109	0.3
167.03487	0.9
171.02979	0.4
173.04555	95.4
174.04903	4.4
175.03958	0.3
179.03491	0.4
191.05617	100.0
192.05954	3.9
197.04639	0.4
206.08246	0.6
245.08315	0.3
287.05438	0.6
289.07214	0.8
329.06528	0.5
335.13388	0.3
337.09274	82.0
338.09625	7.9
351.07553	0.3
355.83368	0.2
359.07547	0.3
401.10883	2.0
402.11243	0.3
449.09528	0.4
451.10745	0.3
556.96521	0.3
577.13910	0.3
671.26233	0.2
677.11084	0.3
709.09784	0.3
717.56714	0.3
739.21362	0.4
740.20294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01378	2.7
60.99299	1.3
61.67334	0.2
61.98840	0.5
67.01892	5.5
69.03449	1.5
69.79677	1.4
71.01382	3.8
72.99333	0.5
73.02982	0.6
76.01042	0.2
79.66572	0.2
81.03463	1.3
83.05014	1.4
85.02956	5.4
87.00883	4.1
89.02454	0.2
93.03468	36.1
94.03802	1.4
95.01386	0.3
96.05621	0.2
97.02959	0.4
99.00909	0.8
99.04522	0.6
101.02435	0.4
104.22394	0.2
108.02178	0.2
109.02985	1.6
111.00934	0.6
111.04531	7.2
113.02471	0.9
117.03506	0.5
119.00497	0.2
119.05043	19.4
120.05379	0.9
121.02924	0.4
125.02462	0.9
127.04017	1.5
129.01988	0.8
133.02966	0.3
137.02458	3.7
138.02917	0.3
145.02971	2.2
152.29489	0.3
155.03519	3.9
161.02448	0.4
163.04021	17.7
164.04323	0.8
164.07225	0.3
173.04567	100.0
174.04898	4.6
177.01913	0.3
189.79538	0.3
191.05623	99.4
192.05951	4.4
206.08264	0.5
221.84988	0.2
260.77234	0.2
287.05792	0.4
289.07169	0.5
337.09290	78.5
338.09644	8.0
401.11191	0.7
413.23956	0.3
431.70428	0.3
449.09702	0.4
597.17554	0.3
710.68286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66542	0.0
57.03450	0.0
59.01372	0.2
60.01685	0.0
61.98829	100.0
62.98517	0.2
62.99265	0.1
71.01393	0.2
73.02948	0.0
78.95926	0.1
85.02976	0.1
87.00917	0.1
88.98844	0.1
89.02467	0.1
89.39702	0.0
97.03050	0.1
98.77970	0.0
101.02474	0.1
113.02451	0.1
119.03567	0.0
125.02438	0.2
151.04027	0.1
161.02422	0.0
197.11882	0.0
207.10315	0.0
209.11835	0.5
210.12198	0.0
211.13423	0.1
214.07269	0.0
214.49222	0.0
225.11392	0.1
227.12921	0.2
235.08298	0.1
236.08836	0.0
253.09286	0.1
275.20291	0.0
277.21826	0.2
278.22018	0.2
279.22531	0.1
280.22610	0.0
289.07281	0.0
291.19675	0.0
293.21194	0.3
294.21799	0.0
298.17664	0.0
323.52393	0.0
373.76651	0.0
388.51505	0.0
397.13531	0.1
398.13867	0.2
399.14145	0.2
400.14316	0.1
415.14600	0.0
416.15063	0.1
417.15204	0.1
418.15573	0.1
447.49622	0.0
514.54883	0.0
669.25037	0.0
738.40454	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.1
59.01374	0.4
61.98830	100.0
62.98521	0.2
63.52499	0.1
69.23025	0.4
69.23450	0.8
71.01401	0.4
78.95929	0.5
80.28320	0.1
85.02953	0.1
86.09612	0.1
87.00907	0.1
88.98827	0.6
89.02484	0.2
93.03511	0.2
95.49321	0.1
96.96023	0.3
98.19915	0.2
101.02459	0.2
109.03011	0.1
111.08205	0.1
116.92895	0.2
121.02984	0.1
123.04535	0.2
125.02462	1.1
137.02487	0.5
142.99893	0.3
147.96649	0.1
149.02454	0.1
150.03265	0.3
151.00424	0.3
151.04039	0.3
161.02505	0.2
165.01912	0.2
167.03569	0.1
168.05226	0.1
171.10332	0.2
173.00949	0.2
175.04050	0.2
197.11794	0.2
198.12137	0.1
201.11353	0.2
209.11902	0.3
211.13431	0.2
223.13466	0.4
225.11313	0.2
226.06641	0.1
271.06171	0.3
287.05609	0.1
289.07034	0.2
311.59955	0.1
491.23074	0.3
501.32275	0.2
519.22021	0.1
544.04761	0.1
665.30188	0.1
703.35742	0.1
739.33356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45751	0.3
55.01867	3.2
57.03443	2.9
58.00592	0.6
59.01131	0.5
59.01376	12.9
59.55411	0.3
68.99773	0.3
70.05915	1.5
70.06325	0.6
71.01383	39.4
71.20098	0.3
72.01707	1.0
72.99304	1.4
73.02952	14.6
75.00886	0.8
81.03434	0.3
83.01392	6.6
84.88106	0.4
85.02956	21.6
86.03328	0.7
87.00861	1.6
88.98837	2.3
89.02453	1.9
95.01384	3.1
97.02952	1.3
98.19923	0.4
99.00894	7.1
100.47119	0.3
100.55042	0.3
101.02455	29.8
102.02759	0.7
102.48509	0.4
107.05050	1.3
111.00873	0.5
113.02461	16.4
114.02789	0.5
125.02462	1.8
129.01918	0.9
135.04501	0.3
137.02457	0.5
143.03490	1.7
151.04002	1.3
155.91374	0.3
159.03009	3.5
161.04573	21.1
162.04901	0.9
191.05557	0.4
195.05121	0.4
200.50195	0.4
205.03459	0.8
269.10287	14.4
270.10727	0.9
313.09274	100.0
314.09644	8.4
338.97263	0.4
406.00519	0.4
649.71234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.2
59.01381	1.1
60.99310	0.3
61.98834	100.0
62.98533	0.2
62.99270	0.2
63.99260	0.2
65.00323	0.1
71.01389	0.6
71.13187	0.2
71.16041	0.1
72.99320	0.3
73.02973	0.1
74.63322	0.1
78.95910	0.7
80.96567	0.1
83.01427	0.2
85.02979	0.2
87.14746	0.1
88.98825	1.3
89.02477	0.3
93.03471	0.1
96.96025	0.5
96.96993	0.1
97.02940	0.1
99.67555	0.1
99.92618	0.1
101.02470	0.2
106.09193	0.1
107.01413	0.2
109.02991	0.3
112.98868	0.2
113.02504	0.1
116.92908	0.4
119.04996	0.1
123.04604	0.3
125.02467	1.2
135.04568	0.2
137.02448	0.6
139.04088	0.1
142.99907	0.3
145.03050	0.1
150.03264	0.7
151.00426	0.3
151.04031	0.3
152.99620	0.2
159.04539	0.1
161.02483	0.3
163.04094	0.2
164.01216	0.1
165.02016	0.3
171.10301	0.3
173.00951	0.7
175.04089	0.1
177.01936	0.2
186.18517	0.1
187.04140	0.1
197.11905	0.2
209.11842	0.5
210.12273	0.1
211.13518	0.2
225.11441	0.1
257.46640	0.1
271.06113	0.6
287.05728	0.2
289.07233	0.4
465.53058	0.1
486.29761	0.1
491.22913	0.3
501.32227	0.1
515.30048	0.9
516.30402	3.0
516.37878	0.1
517.31122	0.4
519.22498	0.1
632.86908	0.1
641.26440	0.3
642.27350	0.2
678.36786	0.2
721.33105	0.1
738.32172	0.1
739.33905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
57.03436	1.7
57.53070	0.4
59.01376	8.9
61.98828	17.8
63.70706	0.4
67.01877	0.5
68.99830	0.4
69.03439	1.3
70.77443	0.4
71.01001	0.8
71.01381	11.9
72.99309	3.3
73.02949	1.0
75.00873	9.6
78.95889	2.5
80.02679	0.4
81.03458	1.3
83.01400	1.0
83.05039	2.5
84.02171	0.9
85.02953	10.1
87.00877	3.0
89.02450	2.5
95.01388	3.0
95.05046	0.5
97.02931	0.5
98.20656	1.1
99.00894	6.6
101.02457	1.9
103.00362	0.8
111.04530	0.5
113.02457	11.4
115.00373	1.3
117.01929	1.0
125.09699	1.0
129.01962	0.7
139.00407	0.4
147.69305	0.4
151.11351	0.5
152.99608	1.9
161.09724	0.9
163.11266	2.1
165.12819	1.5
169.12355	8.8
171.10332	0.5
174.95021	0.4
175.02483	1.6
179.10724	1.6
181.12292	0.5
193.03494	0.6
196.90817	0.4
197.11832	25.7
198.12286	1.8
205.08859	0.4
207.10229	0.5
209.11829	31.1
210.12138	1.8
223.09787	0.5
225.11308	1.0
226.69434	0.5
227.12848	3.2
241.10806	0.5
249.06126	1.1
253.09282	1.7
255.23422	0.6
277.21716	31.1
278.22086	3.6
291.19714	0.7
293.21228	0.4
429.68298	0.5
445.19763	0.4
459.18729	0.9
477.19821	1.9
527.28442	0.9
679.37750	0.6
719.39996	1.2
737.41272	100.0
738.41589	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60193	0.9
57.03447	0.8
59.01379	5.3
59.67325	0.8
61.70195	0.8
61.98829	20.9
69.03461	2.0
69.64589	0.9
71.01379	6.9
71.05012	1.2
71.20074	1.3
71.20414	1.0
71.38731	0.9
72.99317	1.0
73.02940	1.7
75.00863	2.3
76.27644	0.9
78.95905	4.6
82.33746	0.9
83.01360	1.1
83.05029	1.7
85.02952	3.2
87.00887	1.7
89.02454	2.8
97.06575	1.1
99.00867	1.8
101.02465	2.2
113.02460	3.8
121.10188	0.9
125.09723	1.3
149.09630	1.0
151.11266	1.5
152.99582	2.0
153.12839	1.5
161.09741	2.6
169.12354	8.8
171.10301	1.2
179.10736	4.6
197.11848	42.7
198.12193	2.9
199.13556	0.9
209.11859	4.5
223.09698	1.2
224.50764	0.9
225.11359	2.0
235.08224	1.3
253.09280	3.4
255.23244	1.5
277.21732	53.0
278.22180	5.6
286.68539	0.9
291.19720	1.1
293.21219	1.2
315.15338	1.0
540.13849	1.1
719.41876	1.7
737.41248	100.0
738.41571	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.06255	0.3
57.03447	1.8
58.00587	0.4
59.01375	9.4
61.98827	5.6
64.79550	0.3
69.03469	0.7
70.12014	1.3
71.01379	8.6
73.02942	1.2
78.95904	0.5
80.02672	1.0
81.03458	2.3
83.01408	1.1
83.05032	5.1
84.02191	0.5
85.02928	1.7
87.00886	1.8
88.98805	0.5
89.02446	4.6
95.01391	0.8
95.05046	2.1
97.02957	3.8
97.06604	0.5
98.20019	0.4
99.00895	1.3
101.02449	7.0
106.04230	0.5
107.05040	0.5
109.02913	0.4
109.06603	14.4
110.03713	0.7
110.06956	0.6
111.00942	0.5
111.04567	0.3
111.08165	8.1
112.61258	0.3
113.02451	3.4
113.09722	0.7
119.03512	1.3
121.06625	1.3
121.10219	0.5
123.04562	2.2
123.08196	0.4
125.02459	1.2
125.06084	0.5
125.09724	0.9
135.08176	2.0
135.11806	0.3
136.05312	0.8
137.02444	0.3
137.09721	0.7
139.11295	0.3
142.02740	1.0
143.03551	0.7
145.05138	0.8
147.11819	0.3
149.09709	0.7
151.04063	0.4
161.04591	3.0
161.09702	1.0
162.36128	0.3
163.11299	11.8
164.11613	0.6
165.09233	0.4
165.12863	1.7
167.10762	1.7
171.10313	1.8
177.12830	1.9
179.05620	0.8
179.10779	2.7
179.14462	0.8
181.12329	2.5
182.45781	0.3
185.11876	0.3
189.09229	1.8
191.10765	0.9
195.13913	10.8
196.14458	0.8
197.11835	1.0
203.14354	0.5
207.10260	48.6
208.10579	2.9
209.11823	81.5
210.12161	6.4
211.13359	0.8
223.13383	4.7
224.13742	0.4
225.11311	20.6
226.11627	1.1
227.12866	14.3
228.13324	1.1
235.08223	5.4
243.12416	0.6
247.20645	2.7
253.09267	21.9
254.09583	1.3
256.13126	0.7
273.18582	1.3
275.20132	4.7
276.20239	0.4
281.13885	0.6
291.19629	100.0
292.19977	10.4
293.21201	63.0
294.21536	6.3
299.14951	0.6
309.20599	0.7
329.21146	0.6
360.49280	0.3
443.19223	3.0
445.20642	1.4
461.20251	5.3
462.20447	0.8
483.31070	1.0
501.32242	0.6
509.27646	1.1
527.28491	8.5
528.28906	1.4
529.30084	1.2
718.54858	0.3
719.40143	2.8
720.40430	0.9
737.41290	25.3
738.41656	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	737.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01374	3.8
61.98827	61.8
62.98543	0.4
63.48484	0.2
63.99262	0.4
71.01379	2.8
72.99311	1.1
73.02958	0.6
75.00911	0.2
78.95905	0.7
79.16722	0.2
80.02678	0.8
80.91689	0.4
81.03474	1.2
83.01393	0.7
83.05028	3.8
84.02176	0.8
85.02950	1.2
87.00875	0.8
88.57371	0.2
88.98821	1.0
89.02437	1.8
93.03461	0.7
95.01392	0.3
95.05042	0.7
96.96004	0.4
97.02975	0.4
97.06585	0.3
99.00899	0.6
101.02454	2.0
107.01385	0.3
109.02991	0.5
109.06647	0.4
111.08171	0.4
113.02483	1.4
116.92863	1.0
119.03495	0.5
119.05029	0.7
121.02973	0.3
123.04572	0.5
125.02470	1.3
125.06078	0.6
125.09735	0.3
132.02298	0.2
133.02963	0.3
134.03799	0.5
135.04520	0.3
135.08174	0.6
137.02449	0.8
137.09633	0.2
143.03462	0.4
145.02982	0.8
150.03238	0.5
151.00409	1.2
152.99646	0.4
160.01712	0.6
161.02408	0.4
161.04617	0.5
163.04022	0.4
163.11314	3.3
164.01125	0.3
164.11688	0.3
165.01920	0.6
165.12845	2.3
167.03566	0.2
169.12355	1.5
169.59883	0.3
171.10289	1.6
175.04025	0.6
177.01901	0.4
181.12305	0.7
183.13899	0.7
191.05591	0.7
191.10762	0.8
193.05115	0.3
197.11858	0.4
199.13358	0.7
207.10260	0.9
209.11833	100.0
210.12151	7.6
225.11353	1.6
227.12874	15.6
228.13181	1.4
229.08632	0.3
235.08229	1.5
243.12323	0.5
247.13426	0.3
253.09267	5.3
255.03104	0.3
271.06113	2.9
272.06461	0.4
285.04150	0.3
287.05679	0.6
289.07239	0.4
303.93774	0.2
355.15237	0.3
445.20773	2.8
446.21188	0.6
463.21161	0.3
513.28589	0.5
514.28998	1.2
515.29413	2.6
516.29987	0.4
633.30487	0.5
637.32220	0.8
655.33441	0.4
677.35229	0.3
687.32178	0.9
688.33008	0.3
705.33746	0.4
719.33655	0.5
737.35785	1.0
738.34454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51339	0.9
55.01857	1.4
57.03440	1.3
58.00600	1.1
58.53876	0.9
59.01379	33.1
60.01695	1.1
61.98832	17.5
65.43737	1.1
69.03456	2.6
71.01384	31.8
71.42651	1.1
71.42989	2.0
72.99294	1.8
73.02949	5.6
73.03302	1.0
75.00876	3.2
78.95905	1.8
81.03451	2.5
83.01390	2.9
83.05029	2.7
85.02971	6.2
87.00884	6.9
88.98774	1.4
89.01931	1.7
89.02452	24.3
95.01389	1.9
97.02953	7.8
99.00880	2.8
101.02457	24.6
103.00364	8.1
109.06606	11.3
111.04456	1.4
113.02467	11.7
119.03501	6.9
123.04516	1.4
125.02460	10.4
125.09684	1.1
125.64810	0.9
135.08145	1.3
138.78952	0.9
139.04001	1.1
143.03496	3.3
145.02936	2.5
145.14485	1.0
161.04576	5.3
163.11345	8.6
179.05611	3.9
181.12407	2.7
195.13893	2.5
198.94388	0.9
199.13391	1.5
199.52161	1.2
201.42064	1.1
207.10260	30.6
208.10596	2.7
209.11826	18.1
210.12204	1.7
211.13393	4.3
221.06613	2.4
223.13313	2.7
225.11345	17.6
227.12900	4.0
235.08214	11.8
253.09244	10.6
275.20132	2.8
277.21637	2.6
279.23267	77.9
280.23654	8.6
287.07675	3.7
291.19678	11.6
292.20041	1.7
293.21219	31.9
294.21478	4.2
302.89169	1.1
305.08691	3.8
323.10175	1.3
397.13513	100.0
398.13843	9.9
415.14554	32.0
416.14749	3.1
443.19153	2.4
461.20081	4.3
633.37769	2.4
677.37909	2.9
737.40857	14.5
738.41394	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	737.3526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01378	2.7
61.98829	100.0
62.98529	0.9
62.99267	0.3
63.99256	0.9
70.04667	0.2
70.17735	0.8
71.01393	1.0
78.95906	0.3
79.95735	0.2
80.96523	0.4
81.03451	0.2
81.49086	0.2
83.01392	0.3
83.05013	0.2
85.02987	0.2
88.98817	0.2
89.02435	0.3
97.02945	0.2
101.02459	0.4
109.02988	0.4
109.06609	0.2
113.02446	0.2
115.87763	0.2
116.92862	0.3
123.04597	0.3
125.02457	2.0
137.02455	0.7
151.04039	0.4
161.02475	0.4
164.01201	0.3
165.02028	0.3
167.03606	0.3
167.10785	0.2
169.12434	0.3
171.10358	0.4
175.04048	0.2
188.04919	0.2
195.59564	0.2
197.11852	2.3
207.10295	0.4
209.11833	3.3
209.13701	0.2
210.12044	0.4
211.13374	0.6
223.13367	2.0
225.11404	0.3
227.12907	0.6
235.08212	0.3
253.09366	0.5
277.21832	0.2
279.23492	0.2
286.32684	0.2
289.07251	0.6
291.19717	0.5
293.21378	0.2
309.20761	0.2
338.19803	0.2
355.15274	0.2
433.20645	0.2
445.20892	0.2
459.22440	0.4
515.33728	3.9
516.34247	0.7
651.33826	0.4
669.35767	0.3
737.35590	1.9
738.36206	0.8
738.50812	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13617	0.1
59.01368	0.3
60.99304	17.4
61.98829	2.6
61.99649	0.1
70.79424	0.1
71.01418	0.1
71.12411	0.3
85.02943	0.2
88.98812	100.0
89.99135	1.3
93.03479	0.2
101.02445	0.2
107.18456	0.2
109.02994	0.2
115.57769	0.1
119.05044	0.2
122.02147	0.1
125.02459	0.2
137.02391	0.1
148.29414	0.1
151.00342	0.1
163.04053	0.1
173.04523	0.2
177.02129	0.1
185.23531	0.1
191.05605	0.5
225.27451	0.1
239.54213	0.1
255.03024	0.4
283.02454	1.2
285.03912	0.4
287.05356	0.2
321.26920	0.1
407.40698	0.1
430.08624	0.2
462.30872	0.1
515.29712	0.3
647.16547	0.9
648.15869	0.2
711.38446	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.5
59.01378	10.2
64.08817	0.5
69.03432	1.0
71.01385	11.9
71.61102	0.5
71.61568	0.6
72.99329	0.7
73.02943	6.2
81.03463	2.3
83.01390	4.0
85.02966	5.2
87.00890	2.2
89.02447	5.9
93.03453	3.1
94.28931	0.5
95.01377	1.0
95.05026	3.1
97.02952	6.7
99.00848	0.9
101.02450	10.4
108.02206	1.3
109.02966	20.9
111.08160	0.8
113.02448	5.4
115.04012	1.2
117.03452	0.5
119.03522	2.2
119.05033	1.0
121.02969	100.0
122.03220	3.3
123.03732	1.0
123.04547	13.4
124.04843	0.6
125.02463	14.7
126.02782	0.7
131.03516	1.2
133.02966	0.8
135.04541	49.0
136.04881	1.8
137.02461	9.3
139.04050	4.2
143.03532	0.8
145.02980	1.4
146.03716	0.7
147.04526	1.3
149.02473	4.8
150.03191	2.0
151.04031	7.8
159.04594	2.4
160.05287	1.6
161.02417	1.9
161.04579	2.8
161.06087	4.2
162.03197	1.1
163.04045	6.0
163.06108	3.8
164.01137	3.1
164.04778	0.5
165.01971	3.8
165.05594	0.8
166.02708	0.9
167.03528	2.4
173.04558	2.1
173.06020	0.8
173.08188	2.0
174.03244	0.9
175.03943	2.4
175.07652	2.3
177.05577	0.9
179.03506	4.5
179.07101	0.6
181.05087	1.2
181.05357	0.9
181.07196	16.7
182.07474	0.7
185.06026	1.1
187.04010	3.9
188.04782	4.2
191.03932	0.6
191.05620	3.9
191.07167	0.7
193.05193	0.7
199.07588	0.7
201.05493	1.0
202.06406	1.5
203.07146	11.8
204.07408	0.9
205.05083	6.9
205.07021	1.2
212.04796	0.7
217.04982	0.8
221.08232	3.0
223.06125	4.3
227.07202	1.8
230.05859	0.6
245.08170	12.4
246.08553	1.5
247.06198	1.1
265.07230	0.6
271.06122	0.8
283.08310	1.0
287.05469	0.9
289.07184	62.3
290.07541	6.7
296.46881	0.6
325.11414	22.4
326.11703	2.1
328.81332	0.5
331.11853	1.0
335.13440	0.6
337.09314	1.4
351.12958	1.0
407.07779	0.9
447.15076	96.1
448.15439	13.8
575.21222	0.6
734.44843	0.6
737.22870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16640	0.1
59.01373	0.9
61.98830	100.0
71.01384	0.8
71.65219	0.2
72.99332	0.1
73.02946	0.1
78.95914	0.4
83.01414	0.2
87.00913	0.2
88.06395	0.1
88.98826	0.2
89.02438	0.6
95.01379	0.1
97.02943	0.2
101.02448	0.6
109.06639	0.1
113.02448	0.3
119.03514	0.1
121.02986	0.1
125.02467	0.2
152.99550	0.2
161.04568	0.1
163.11426	0.1
171.10338	0.2
207.10313	0.3
209.11928	0.3
211.13438	0.7
225.11325	0.9
227.12915	0.2
231.82213	0.1
235.08238	0.3
236.08641	0.1
238.32596	0.1
253.09335	0.3
256.34128	0.1
277.21701	1.0
278.22009	0.7
289.18161	0.3
291.19699	0.2
293.21234	0.6
297.66000	0.1
319.76471	0.1
322.48877	0.1
397.13480	1.5
397.17590	0.1
398.13928	1.0
399.14154	0.1
415.14700	0.3
416.15024	0.4
443.19318	0.1
461.20245	0.1
527.41620	0.1
737.40717	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	736.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.1
61.98827	100.0
62.98528	0.2
62.99273	0.1
88.98831	0.0
117.71095	0.0
125.02473	0.0
191.05659	0.0
209.11877	0.2
210.12236	0.1
255.02652	0.0
420.70956	0.0
515.29889	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	736.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
61.98829	100.0
62.98536	0.2
69.02308	0.1
71.01391	0.6
78.95915	0.9
80.91690	0.1
82.95415	0.1
85.02978	0.2
87.00899	0.1
89.02460	0.4
97.02999	0.1
101.02475	0.4
109.06600	0.2
113.02452	0.2
123.04538	0.1
125.02471	0.3
142.56305	0.1
152.99684	0.5
161.04610	0.2
163.11285	0.3
171.10316	0.2
179.05719	0.1
195.67998	0.1
207.10262	0.6
209.11858	0.6
211.13397	0.5
223.13475	0.1
225.11319	1.5
227.12894	0.3
235.08264	0.2
240.41881	0.1
248.67601	0.1
253.09358	0.3
277.21710	0.7
278.21957	0.5
279.23227	0.2
289.18198	0.3
291.19809	0.4
293.21292	0.6
397.13528	0.7
398.13818	0.5
415.14520	0.2
416.14737	0.2
461.20563	0.5
736.50214	0.2
737.41724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.1
59.01376	0.5
61.98829	100.0
62.66392	0.1
62.98526	0.2
67.82388	0.1
71.01384	0.6
71.61237	0.1
72.99294	0.1
77.56725	0.1
78.95916	0.5
83.05075	0.1
88.98831	0.4
97.02972	0.1
101.02486	0.2
109.02968	0.1
109.06552	0.1
116.92852	0.2
121.02986	0.1
123.04532	0.2
125.02483	0.2
137.02475	0.2
150.03238	0.1
151.04010	0.2
152.99586	0.2
161.02477	0.1
161.80638	0.1
163.11316	0.2
171.10342	0.3
178.12959	0.1
197.12003	0.1
203.27950	0.1
207.10344	0.2
209.11819	1.5
211.13434	0.4
225.11385	0.2
227.12857	0.3
239.26082	0.1
253.09180	0.2
264.75208	0.1
271.06046	0.1
277.21771	0.2
278.86771	0.1
279.23410	0.3
289.07373	0.1
289.18216	0.1
291.19748	0.6
293.21384	0.1
299.92883	0.1
453.30090	0.2
557.31549	0.4
718.39075	0.3
719.73395	0.2
736.39551	0.2
736.50812	0.2
737.32281	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	736.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64000	0.5
57.03454	0.9
57.75205	0.6
59.01377	6.0
61.98829	100.0
65.00350	0.5
67.01912	0.6
71.01379	3.7
71.59499	1.0
72.72918	0.5
72.99316	1.4
73.02939	0.6
75.00880	3.5
76.96408	0.5
78.95911	1.8
80.05068	2.9
80.96524	1.1
81.03490	0.9
83.01392	0.7
85.02963	1.2
87.00900	1.6
88.98808	3.1
89.02467	1.6
93.03492	2.3
94.06637	1.0
95.22350	0.5
96.96061	0.6
99.00890	1.2
101.02429	1.4
104.05101	1.3
106.06639	1.1
107.03802	2.8
109.02969	1.7
113.02486	1.4
116.92129	0.5
116.92846	3.7
117.03566	0.6
117.09438	0.6
117.92846	1.3
119.05008	1.3
120.04573	1.0
121.05357	0.9
122.06133	20.0
123.04568	1.8
123.06517	1.0
125.02465	4.1
129.13884	0.6
130.06625	0.6
134.06174	4.3
135.04582	1.0
137.02509	1.9
145.02997	2.1
148.04137	1.4
150.05676	0.7
151.00420	2.0
151.04074	1.1
152.07188	28.4
152.99605	0.6
153.07562	0.8
155.10844	1.0
160.04048	1.0
160.06482	1.1
161.02469	1.0
163.04013	0.9
171.10312	1.6
173.04646	1.9
174.05634	1.4
175.02538	0.7
175.04066	0.7
177.01950	0.8
177.04109	1.2
180.06731	1.0
188.07135	2.8
190.05142	0.7
191.05711	1.9
209.11873	4.4
211.08920	0.8
213.10330	5.4
215.07405	0.7
225.00581	0.6
225.10399	1.8
226.11198	0.8
227.03394	0.8
227.12810	0.8
235.08702	0.7
237.10426	1.2
239.11813	4.8
240.12204	0.8
241.13461	3.7
242.13802	0.7
245.13042	3.7
250.07588	1.4
251.08257	1.7
251.11966	1.6
253.09811	2.2
255.02974	1.2
263.08228	0.9
265.09824	3.5
266.10562	0.8
267.11505	1.7
271.06137	2.1
277.09998	1.7
278.07007	2.5
278.10464	1.2
279.07843	3.1
279.11362	1.6
285.04074	1.9
285.12433	14.2
286.12836	1.8
287.05728	1.0
288.72473	0.7
289.07175	2.3
291.07864	0.9
291.11017	0.7
292.08112	0.7
293.09378	7.9
293.13046	4.1
294.10031	2.5
295.10913	5.4
296.11429	0.8
306.10132	1.4
307.10931	2.6
309.12476	1.3
313.11993	2.1
323.10553	2.4
324.35938	0.6
325.11847	1.3
337.08322	5.7
338.09042	1.0
339.09875	0.7
340.14417	0.8
342.12354	0.7
343.13516	1.0
351.10040	0.8
355.13016	0.7
356.17929	0.7
357.14938	0.9
358.15616	4.9
359.16385	0.7
382.15762	0.7
384.13480	1.1
398.14926	0.6
399.16345	0.8
400.16730	7.2
401.17432	1.3
412.16446	2.8
412.76181	0.7
418.17871	0.9
458.17346	1.1
459.17581	3.3
460.18704	4.9
463.17368	1.0
474.20499	2.4
476.18372	1.5
486.16885	1.5
487.17505	0.7
497.25598	0.9
503.16757	3.4
504.17471	8.7
505.18347	1.6
514.28253	0.8
515.29895	2.5
518.19330	4.5
519.20074	0.8
550.21881	13.7
551.22455	2.6
557.25568	0.7
563.28986	0.8
565.24652	16.1
566.24969	3.3
576.15118	1.6
591.13080	3.1
597.27063	3.7
598.27234	1.0
609.23688	12.9
609.32629	1.0
610.24005	3.2
641.26245	59.2
642.26520	15.5
673.28949	36.3
674.29236	12.2
674.40332	0.8
677.35925	1.0
693.33679	2.9
719.32690	0.7
737.31732	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	736.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97430	0.1
56.14940	0.1
59.01377	2.1
60.01695	0.1
61.98829	100.0
62.98527	0.2
62.99238	0.1
63.99246	0.2
69.03427	0.1
71.01393	0.4
71.59018	0.1
72.99310	1.2
73.02944	0.1
78.95918	0.2
83.05005	0.1
85.02959	0.2
87.00908	0.1
88.98841	0.2
89.02480	0.2
91.45081	0.1
93.03477	0.1
96.96012	0.1
97.02959	0.1
99.00928	0.1
99.92582	0.1
101.02465	0.2
102.96554	0.1
107.01419	0.1
109.02946	0.2
109.06625	0.1
113.02480	0.2
116.92879	1.0
117.92912	0.3
119.05052	0.1
123.04561	0.1
125.02451	0.3
134.03772	0.1
135.04514	0.4
137.02484	0.2
150.03290	0.1
151.00375	0.6
161.02565	0.1
163.11368	0.1
165.02023	0.1
171.10370	0.1
175.03987	0.1
177.02048	0.1
191.05705	0.1
197.11801	0.2
207.10422	0.1
209.11819	0.6
210.12206	0.3
213.14859	0.1
269.04742	0.1
271.06143	0.2
285.03867	0.1
287.05649	0.4
289.07129	0.1
423.29172	0.1
424.29062	0.1
449.10931	0.4
453.46301	0.1
513.28577	2.8
514.28888	8.0
515.29150	1.2
556.30145	0.1
676.34918	0.3
686.30823	0.1
736.37256	0.3
737.33765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81458	0.1
54.78503	0.1
55.01875	0.1
57.03452	0.8
58.00586	0.2
59.01379	4.8
61.98829	1.2
67.20763	0.1
69.03455	1.8
70.51505	0.2
70.51834	0.2
71.00982	0.2
71.01382	3.8
71.05031	0.7
72.99316	0.2
73.02950	0.8
78.95930	0.2
81.03468	0.2
83.01390	0.6
83.05028	0.6
85.02955	0.9
85.06595	0.5
87.00894	0.7
89.02455	2.4
90.02760	0.1
93.03465	0.3
95.01408	0.2
95.05045	0.6
97.02954	0.1
97.06584	0.2
99.00893	0.2
101.02454	3.6
104.15593	0.1
107.08669	0.1
109.06575	0.5
111.08150	0.6
113.02464	1.9
113.09747	0.2
119.03532	0.8
121.10278	0.2
123.08157	0.2
125.02474	0.3
125.09710	0.3
131.03465	0.2
133.05080	0.3
135.11827	0.2
141.09229	0.3
143.03522	0.4
145.05069	0.3
149.09727	0.4
151.11249	0.1
153.09210	0.2
161.04562	1.8
161.09769	0.1
161.13345	0.4
164.39697	0.1
164.41151	0.1
166.51427	0.1
167.10802	3.1
168.11194	0.2
171.10291	0.5
175.11247	0.1
177.12825	0.8
179.05626	0.6
179.10828	1.2
179.14424	3.6
180.14748	0.3
181.12309	0.1
187.11353	0.2
193.12366	0.1
194.67075	0.1
195.13911	16.0
196.14299	1.3
202.10144	0.1
205.12337	9.5
206.12691	0.7
209.11780	0.1
211.13475	0.6
223.13393	100.0
224.13739	6.9
225.14886	0.5
228.13605	0.4
231.21164	0.4
235.08215	3.9
236.08604	0.3
249.22305	0.1
253.09280	15.9
254.09666	0.8
256.13174	0.7
265.21658	0.3
275.20160	5.5
276.20502	0.4
291.19684	0.1
293.21210	79.0
294.21548	8.2
310.91339	0.1
441.21118	0.7
459.22333	11.9
460.22717	1.9
492.22058	0.3
499.34265	1.0
500.34512	0.2
511.28915	0.2
529.30121	1.4
530.30365	0.3
575.22620	0.1
595.96802	0.1
621.29706	0.1
629.44092	0.1
666.36169	0.2
698.35925	0.2
735.43274	1.7
736.43542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77065	0.2
51.87303	0.2
58.55516	0.2
59.01377	19.2
61.98828	76.7
62.98535	0.2
65.00348	0.2
69.03486	0.2
71.01385	2.4
71.63484	0.2
71.63868	0.3
72.69495	0.2
72.99310	11.8
73.02948	0.4
75.00858	1.0
78.01952	0.2
78.91904	0.8
78.95907	0.4
83.01385	0.7
83.05029	0.5
83.44950	0.2
85.02948	1.4
87.00885	0.7
88.12267	0.2
88.98811	1.2
89.02445	0.8
93.03530	0.3
95.01401	0.4
97.02988	0.3
98.87158	0.2
99.00900	0.5
99.92657	0.2
101.02464	1.0
107.01395	0.3
109.02979	0.5
109.06611	0.4
113.02458	2.4
116.92863	4.0
117.01935	0.3
117.03455	0.2
119.03532	0.4
119.05016	0.7
123.04560	0.3
123.42741	0.2
125.02449	1.1
135.04523	0.4
137.02429	0.6
145.02982	0.6
149.02469	0.2
151.00342	1.1
151.04022	0.5
152.99658	0.3
160.01659	0.3
161.02434	0.5
161.04576	0.5
163.04041	0.4
163.11304	0.6
165.01967	0.3
165.12823	0.3
167.03505	0.2
171.10344	1.5
175.04062	0.4
179.05638	0.3
183.13881	1.4
184.14198	0.3
185.11800	0.3
197.11856	1.3
207.10249	0.6
209.11832	5.7
210.12172	1.0
211.13397	0.4
225.11287	0.8
227.12859	3.0
228.13173	0.4
248.53526	0.2
271.02930	0.2
271.06067	1.0
287.05612	0.8
289.06909	0.6
297.11938	0.5
363.26724	0.3
391.26498	0.5
393.28061	0.4
395.29379	0.2
423.28931	0.9
465.26761	0.3
483.27444	0.5
513.28522	100.0
514.28876	19.7
527.29614	0.2
529.87616	0.2
555.29651	0.8
556.30121	0.4
631.29596	0.8
675.34100	2.6
676.34186	0.8
685.30951	1.8
686.31384	0.4
735.36072	2.7
736.35840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
59.01377	5.5
60.99309	0.5
61.98826	100.0
69.03468	1.3
69.48646	4.4
71.01384	6.3
72.99303	0.8
73.02948	1.6
75.00890	0.8
77.61801	0.5
78.95908	1.5
80.02698	1.2
81.03477	1.3
83.01389	1.7
83.05028	4.4
85.02954	2.1
87.00873	1.4
88.98810	2.6
89.02436	2.2
93.03478	0.8
94.98096	0.7
95.05017	1.1
96.96021	0.7
97.02968	1.7
97.06601	0.6
98.19911	1.0
99.04541	0.5
101.02450	3.5
109.02976	0.7
109.06607	1.1
109.32716	0.4
113.02477	2.6
116.92886	3.4
119.03502	0.9
119.05085	0.6
121.02977	0.5
125.02445	1.9
125.06107	0.8
125.09701	0.8
127.11288	0.6
129.01962	0.7
133.12079	0.4
134.03745	0.5
135.08134	0.6
137.02435	1.3
145.18851	0.5
151.00403	0.8
151.03970	0.9
153.12910	0.7
161.04604	1.1
163.04002	0.5
163.11278	4.6
164.11554	0.5
165.01942	0.8
165.12865	1.6
169.12320	3.6
171.10275	6.9
172.10680	0.5
179.05617	0.8
179.10750	1.7
181.12376	0.6
183.13858	0.8
185.11847	0.6
191.05548	0.6
191.10846	1.3
197.11829	56.4
198.12183	3.4
199.13254	0.5
201.11295	3.1
205.04958	0.6
207.10254	7.4
208.10686	0.7
209.11826	82.4
209.64658	0.5
210.12192	5.8
211.13445	2.9
225.11305	6.2
227.12886	12.9
228.13237	1.0
235.08199	3.1
239.12877	6.8
253.09265	8.8
271.06070	0.9
271.15463	1.3
273.17062	19.0
274.17380	1.7
289.07251	0.7
433.20523	3.6
445.20798	3.4
513.28375	2.0
545.34479	0.8
607.31274	0.6
625.32159	1.6
632.20221	0.5
673.35034	0.7
735.38287	2.0
736.37756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77065	0.2
51.87303	0.2
58.55516	0.2
59.01377	19.2
61.98828	76.7
62.98535	0.2
65.00348	0.2
69.03486	0.2
71.01385	2.4
71.63484	0.2
71.63868	0.3
72.69495	0.2
72.99310	11.8
73.02948	0.4
75.00858	1.0
78.01952	0.2
78.91904	0.8
78.95907	0.4
83.01385	0.7
83.05029	0.5
83.44950	0.2
85.02948	1.4
87.00885	0.7
88.12267	0.2
88.98811	1.2
89.02445	0.8
93.03530	0.3
95.01401	0.4
97.02988	0.3
98.87158	0.2
99.00900	0.5
99.92657	0.2
101.02464	1.0
107.01395	0.3
109.02979	0.5
109.06611	0.4
113.02458	2.4
116.92863	4.0
117.01935	0.3
117.03455	0.2
119.03532	0.4
119.05016	0.7
123.04560	0.3
123.42741	0.2
125.02449	1.1
135.04523	0.4
137.02429	0.6
145.02982	0.6
149.02469	0.2
151.00342	1.1
151.04022	0.5
152.99658	0.3
160.01659	0.3
161.02434	0.5
161.04576	0.5
163.04041	0.4
163.11304	0.6
165.01967	0.3
165.12823	0.3
167.03505	0.2
171.10344	1.5
175.04062	0.4
179.05638	0.3
183.13881	1.4
184.14198	0.3
185.11800	0.3
197.11856	1.3
207.10249	0.6
209.11832	5.7
210.12172	1.0
211.13397	0.4
225.11287	0.8
227.12859	3.0
228.13173	0.4
248.53526	0.2
271.02930	0.2
271.06067	1.0
287.05612	0.8
289.06909	0.6
297.11938	0.5
363.26724	0.3
391.26498	0.5
393.28061	0.4
395.29379	0.2
423.28931	0.9
465.26761	0.3
483.27444	0.5
513.28522	100.0
514.28876	19.7
527.29614	0.2
529.87616	0.2
555.29651	0.8
556.30121	0.4
631.29596	0.8
675.34100	2.6
676.34186	0.8
685.30951	1.8
686.31384	0.4
735.36072	2.7
736.35840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23805	0.2
57.03130	0.2
59.01361	0.3
60.53619	0.2
61.98833	1.0
66.44846	0.2
78.95908	0.5
80.25634	0.2
85.02937	0.2
87.18553	0.2
98.20640	0.5
152.01508	0.2
152.99577	0.4
186.81343	0.2
225.11221	0.2
255.23318	0.5
256.23618	0.2
277.21692	3.4
278.21951	0.3
297.53284	0.2
327.74905	0.2
358.49869	0.2
402.29401	0.2
407.33105	0.8
455.35269	100.0
456.35620	18.7
457.68283	0.2
535.47168	0.2
715.42328	0.3
733.43231	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87006	0.0
55.79737	0.0
56.19811	0.1
57.03421	0.1
59.01364	0.2
61.98826	100.0
62.98518	0.2
62.99252	0.1
71.01391	0.2
71.58884	0.1
73.02941	0.1
78.95908	0.1
83.05014	0.1
85.02991	0.1
87.00908	0.0
88.98817	0.2
89.02427	0.1
93.03477	0.1
95.05050	0.1
95.26563	0.0
96.96034	0.1
101.02470	0.1
109.02978	0.0
109.06622	0.1
113.02432	0.1
116.92871	0.2
125.02475	0.1
132.18758	0.0
137.02448	0.1
151.00423	0.1
152.99570	0.1
161.02550	0.0
171.10309	0.1
197.11813	0.3
201.11374	0.2
207.10345	0.1
209.11836	1.0
209.15858	0.0
210.12201	0.2
211.13429	0.3
227.12936	0.2
227.66151	0.0
253.09261	0.1
271.06119	0.1
272.06424	0.0
287.05637	0.1
289.07184	0.1
384.29584	0.0
447.22299	0.1
512.27173	0.1
513.28308	0.5
603.11200	0.0
671.30811	0.1
675.35132	0.0
734.38757	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	734.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02907	0.0
59.01364	0.2
60.31995	0.0
61.98827	100.0
62.98528	0.2
62.99274	0.1
71.01392	0.2
78.95944	0.1
83.05041	0.1
88.98825	0.1
89.02448	0.1
96.96002	0.1
116.92867	0.1
123.04514	0.1
123.64973	0.0
131.06894	0.1
137.02449	0.1
151.00443	0.1
151.04022	0.1
160.75841	0.0
163.03955	0.1
171.57359	0.1
181.12451	0.1
197.11761	0.3
201.11357	0.1
209.11861	0.8
210.12234	0.1
211.13480	0.2
227.12912	0.2
248.85712	0.0
253.09264	0.1
271.06128	0.1
305.31906	0.1
400.28922	0.0
433.20847	0.1
513.28357	0.4
518.24207	0.1
671.30878	0.1
673.65710	0.1
734.38702	0.1
735.16119	0.1
735.36066	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	734.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98822	0.5
70.78452	1.2
78.95906	18.6
78.96368	1.0
96.96972	1.5
122.29613	0.4
141.27322	0.5
152.99600	14.6
155.24232	0.5
223.40437	0.5
255.23192	0.5
259.20721	0.7
275.20065	0.8
277.21710	100.0
278.22031	9.3
408.36633	0.5
456.25046	2.2
474.26120	1.3
734.47803	38.6
735.48016	10.5
735.60938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.2
61.98827	1.1
62.96405	0.3
70.23927	0.3
70.24324	0.5
71.01402	0.3
78.95907	17.2
80.62740	0.1
82.66143	0.2
83.05030	0.3
83.58891	0.2
96.63484	0.2
96.96967	1.5
109.56610	0.2
127.07639	0.3
150.97963	0.3
152.99602	14.1
153.99939	0.3
171.00673	0.8
214.27243	0.2
233.22836	0.4
255.23248	0.3
259.20645	0.6
275.20004	0.3
277.21716	100.0
278.22061	10.9
400.22580	0.7
419.85190	0.2
456.25085	2.4
457.25293	0.4
474.26080	1.5
494.64246	0.2
734.47791	35.7
735.48187	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	733.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61366	0.6
57.03447	2.4
57.31174	0.6
58.00586	0.8
59.01379	11.2
61.98529	1.0
61.98830	14.1
63.99259	0.8
68.99862	0.9
70.80866	1.7
71.01382	16.8
72.99308	6.1
73.02941	1.3
75.00875	17.7
78.95904	1.5
80.27098	0.6
81.03477	0.6
83.01385	1.3
83.05059	1.4
84.02190	1.0
85.02956	20.0
87.00884	6.8
87.40166	0.5
89.02455	2.2
91.66280	0.5
95.01374	4.1
99.00897	11.1
103.00406	1.5
104.21210	0.6
113.02463	18.3
114.02745	0.9
115.00404	1.7
117.01975	3.0
125.09743	1.4
127.11293	1.9
128.13011	0.6
129.01936	1.3
152.99512	1.7
157.01466	0.8
163.11301	1.3
165.12894	0.8
171.10263	1.4
175.02502	3.1
191.10660	0.7
201.09543	1.4
201.11319	16.8
202.11595	0.7
205.07181	1.0
209.11838	17.1
210.12286	1.5
227.12810	1.0
249.06104	2.5
255.23285	81.1
256.23618	8.4
279.23212	0.8
356.57895	0.7
505.30304	1.6
689.41516	7.2
690.41974	1.2
715.42871	40.2
716.43146	10.8
733.43927	100.0
734.44244	29.2
749.90387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
61.98830	42.2
62.98517	0.4
63.99247	0.4
64.89455	0.3
71.01367	0.9
71.34529	0.3
71.63306	0.4
73.02943	0.5
75.74593	0.3
78.95902	3.5
79.60132	0.3
83.78897	0.3
88.98808	0.8
96.96062	0.3
96.96954	0.6
97.02937	0.4
109.06606	0.5
111.08176	0.4
116.92854	0.7
140.01192	0.6
152.99548	1.0
159.08109	0.3
161.41208	0.4
171.10263	2.2
175.38980	0.4
181.12418	0.3
195.13724	0.4
197.11745	0.6
199.09608	0.5
201.11311	0.6
207.10254	1.4
209.11847	2.2
211.13358	1.7
212.58820	0.3
223.13441	0.5
223.71065	0.3
225.11398	1.7
227.12889	0.5
277.21729	0.3
291.19525	0.8
293.21185	1.1
297.61542	0.3
300.23904	0.3
405.28134	0.4
459.66205	0.3
468.12784	0.3
469.29803	3.5
499.30624	100.0
500.30954	20.2
542.63892	0.4
644.35785	0.9
678.66492	0.4
715.36249	0.6
716.37958	1.5
733.37854	0.8
734.38947	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
57.03444	1.3
57.21039	0.3
59.01383	6.0
60.01752	0.4
61.98828	4.8
64.75284	0.5
69.03449	1.9
71.01395	4.0
72.99295	0.5
73.02950	0.7
78.95911	2.7
83.01390	0.6
83.05033	0.5
85.02956	1.0
85.06526	0.4
87.00864	0.9
88.98814	1.3
89.02448	3.2
91.95439	0.5
95.01340	0.4
95.05052	1.3
98.19772	1.0
101.02459	3.8
106.41785	0.5
109.06576	0.9
111.08175	7.5
113.02477	2.0
113.09712	0.4
117.03483	1.8
117.38396	0.4
119.03532	0.9
123.08221	0.5
125.02424	0.8
125.09731	0.4
132.11458	0.4
137.09724	1.0
141.09253	0.6
145.27234	0.4
152.99614	1.3
161.04575	1.3
167.10786	4.6
171.10300	1.0
177.12842	3.0
179.05707	0.6
179.10852	2.2
179.14401	2.5
195.13911	14.8
196.14320	1.0
203.14362	0.5
203.79150	0.4
205.12337	7.8
223.13387	84.9
224.13745	5.6
225.11310	0.7
230.39026	0.5
235.08260	3.4
237.14816	0.6
247.20581	2.2
253.09259	7.4
254.09839	0.5
255.23216	0.5
273.18808	1.1
277.18289	0.4
277.21649	2.2
278.22040	1.0
291.19644	100.0
292.19962	11.4
327.67557	0.4
335.15286	0.5
350.23059	0.4
356.14737	0.4
435.66077	0.5
441.21307	1.3
459.22324	10.3
460.22610	1.5
479.31744	1.3
497.32532	1.0
509.27368	1.7
527.28461	9.2
528.28943	1.4
557.19543	0.6
661.22955	0.9
715.40857	1.8
716.41132	0.9
733.41949	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	731.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
59.01377	14.1
60.99297	0.9
61.98832	49.3
62.08365	0.5
69.03467	0.8
70.96927	1.0
70.97292	1.0
71.01392	6.7
71.41477	0.4
72.99329	0.8
73.02944	1.4
75.00887	1.1
77.59846	0.5
78.95914	2.1
80.02714	2.4
81.03450	3.2
82.06234	0.6
82.06775	0.5
83.01398	1.5
83.05032	7.7
84.02184	1.5
84.05424	0.6
84.71651	0.4
85.02967	2.7
87.00893	1.8
88.98812	5.9
89.02448	4.3
93.03487	1.7
95.01402	0.8
95.05042	1.8
96.96033	1.3
97.02965	5.3
97.06580	0.6
99.00880	1.7
101.02465	7.7
107.01381	0.8
107.05032	0.9
109.02945	1.4
109.06606	24.2
110.03765	0.9
110.06967	1.1
111.00864	0.6
113.02460	2.8
116.92859	1.4
119.03527	1.4
119.05029	1.2
121.06609	2.2
123.04529	0.8
123.08199	1.1
125.02467	2.7
125.06107	1.0
125.09738	2.2
135.08173	3.7
136.05315	1.8
137.02451	1.2
142.02795	1.2
145.03033	0.9
145.05049	1.2
149.09767	0.6
150.03226	0.6
151.00383	1.9
151.04039	1.1
161.04585	2.3
161.09734	1.7
162.06895	1.2
163.11307	18.9
164.11591	1.5
165.01921	0.6
165.12871	3.1
171.10306	2.9
176.99588	0.5
177.09285	0.8
179.05588	0.7
179.10750	1.1
180.00063	0.5
181.12396	3.6
185.11842	2.0
187.09796	0.7
189.09256	1.6
191.10748	1.4
197.11781	0.6
207.10277	64.4
208.10616	5.6
209.11842	100.0
210.12175	8.8
211.13298	1.0
215.75865	0.5
221.11882	0.9
223.13380	0.7
225.11330	30.2
226.11671	2.1
227.12900	12.6
228.13338	1.0
231.10237	1.3
235.08220	3.7
243.12247	0.6
247.13396	1.4
249.11331	1.6
253.06892	1.0
253.09294	10.0
265.14423	1.2
271.06183	2.0
281.14011	0.7
287.05457	0.6
289.07080	0.9
299.14923	0.8
341.23419	1.0
355.22922	1.5
355.34558	0.6
373.23819	1.0
389.23453	0.8
399.21710	6.6
417.22885	4.4
418.23315	1.0
435.23950	0.8
443.19153	3.3
445.20599	1.6
461.20319	10.1
462.20615	1.3
485.20389	0.7
493.30298	1.0
609.29840	0.5
627.30402	1.1
635.30878	15.9
636.31000	3.5
653.31842	15.3
654.09308	0.7
654.32330	3.6
669.29156	2.1
671.32770	24.5
672.32928	6.1
731.36157	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	732.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51378	0.1
61.98826	100.0
62.98533	0.2
68.85780	0.1
69.30295	0.7
76.83552	0.1
190.42969	0.1
209.11842	0.1
578.45764	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	732.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98533	0.2
70.38119	0.2
94.57735	0.1
122.57260	0.1
124.66394	0.1
127.85848	0.1
135.53244	0.1
191.93826	0.1
383.85919	0.1
410.77206	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	733.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
57.40357	0.3
59.01379	2.4
60.85438	0.3
60.99315	0.6
61.98832	34.2
63.02390	1.6
63.99259	0.3
65.00327	8.6
67.01908	0.4
71.01399	1.5
72.99319	0.5
73.02957	1.1
75.00859	1.1
78.95900	0.4
81.03453	0.7
83.01395	6.2
83.05009	0.4
85.02972	0.8
87.00873	0.6
87.04512	1.8
88.98823	4.9
89.02460	0.8
91.01903	1.0
93.03479	5.0
95.01384	0.5
97.02964	0.8
97.06586	0.5
99.00900	0.4
99.92598	6.8
101.02468	1.2
107.01404	14.5
107.05000	0.3
109.02990	1.4
111.00925	0.3
111.04478	0.3
113.02460	0.8
114.93447	0.4
115.92039	0.3
116.92876	68.4
117.01923	0.9
117.03495	0.8
117.92898	4.1
119.05041	31.5
120.05402	1.1
121.02977	0.9
123.04563	0.9
125.02470	7.7
126.02755	0.3
135.00931	2.1
135.04538	1.2
137.02441	1.0
137.09726	1.4
143.05019	0.8
145.02971	2.6
149.02493	0.3
150.03371	0.3
151.00392	53.3
151.07648	0.5
152.00699	1.8
153.01955	3.7
155.10799	9.2
156.11131	0.4
157.06578	0.3
161.02420	0.7
161.04817	0.3
161.06044	1.5
163.04031	0.4
163.11258	0.4
165.01955	2.9
168.12292	0.3
169.01424	2.5
169.12390	0.6
173.06122	0.5
175.00418	0.8
175.03947	0.4
177.01950	4.7
178.99902	0.8
179.10786	0.8
181.08684	0.7
185.06065	1.7
185.11760	0.4
187.04010	2.4
189.01897	0.3
191.03633	0.3
191.10794	0.4
193.01317	0.3
199.09761	6.5
199.13417	0.6
200.10095	0.3
201.11299	0.4
203.07166	0.4
209.11829	6.4
210.12201	0.6
213.11279	0.5
215.07172	0.5
225.11307	0.3
227.07129	3.4
227.12888	3.5
228.07396	0.4
241.05118	0.5
241.10780	1.7
255.12299	0.4
259.06067	4.4
260.06216	0.5
271.06097	100.0
272.06436	9.9
283.02567	0.4
283.06036	0.6
283.11807	1.5
285.03937	0.8
287.05658	4.7
288.05878	0.5
289.07312	0.5
313.07117	0.7
317.12234	0.8
343.13998	4.1
344.14310	0.5
406.84677	0.4
445.20334	0.3
461.16650	8.4
462.16895	1.2
511.26843	0.7
529.30481	0.4
548.55560	0.4
571.21234	0.3
615.20880	4.9
616.21198	1.1
629.38855	1.0
639.91101	0.3
673.42255	0.4
733.23547	17.6
733.35645	0.8
734.24164	5.2
734.37402	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	731.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
59.01377	7.0
60.63456	0.6
60.99291	1.0
61.98828	100.0
69.48751	1.5
69.49168	4.1
71.01392	6.3
72.99315	1.3
73.02932	2.0
75.00867	1.4
78.95905	32.2
80.02702	1.0
81.03467	2.1
83.01390	1.8
83.05042	3.1
84.02180	0.9
85.02965	1.9
86.03006	0.6
87.00902	1.8
88.98820	6.0
89.02476	1.7
93.03484	0.8
96.96027	2.0
96.96956	4.7
97.02945	4.3
99.00880	4.5
101.02452	3.2
107.16811	0.7
109.03028	1.2
109.06599	2.8
110.03765	1.3
113.02451	1.6
116.92873	3.0
119.05059	1.5
122.03828	0.8
123.04552	1.3
125.02460	2.6
125.09726	2.9
135.04579	1.1
135.08167	1.6
136.05363	0.9
137.02499	2.0
143.68167	0.7
145.02991	2.0
151.00430	1.9
151.04041	1.5
151.07724	1.6
161.02512	1.5
163.04036	1.5
163.11282	6.9
165.01939	2.3
165.12886	1.9
166.38782	0.7
171.10318	1.7
175.04007	1.3
177.01961	1.0
181.12318	7.1
185.11772	1.1
191.10826	0.8
207.10252	24.9
208.10638	2.3
209.11826	67.0
210.12187	5.0
225.11313	46.9
226.11620	3.2
227.12880	12.7
228.13158	1.0
235.08330	1.5
241.01161	8.5
243.12317	5.0
253.09375	2.6
271.06158	2.6
271.09473	1.0
285.04208	1.5
287.05539	1.1
310.60934	0.7
389.25015	0.8
443.19504	0.9
461.20264	13.4
462.20566	1.5
497.04614	0.8
551.22003	1.1
551.29730	5.0
552.30243	1.2
635.31055	1.3
653.31781	10.4
653.41443	0.9
654.32806	2.3
668.38092	2.0
669.29590	3.2
671.32367	11.0
672.34137	2.0
731.36237	18.9
732.37225	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	730.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07658	0.1
59.01380	0.2
61.98827	100.0
62.98531	0.2
71.01402	0.4
75.00867	0.3
82.47855	0.1
85.02978	0.4
87.00892	0.1
98.19874	0.3
99.00874	0.4
101.22413	0.1
107.15421	0.1
109.06598	0.1
113.02444	0.5
152.99640	0.1
157.01498	0.2
171.10335	0.3
172.10692	0.1
173.10855	0.1
201.11287	0.1
207.10220	0.1
224.38005	0.1
225.11368	0.3
237.81682	0.1
255.23296	1.3
256.23889	0.1
277.22141	0.1
580.67712	0.1
634.24481	0.2
659.40778	0.1
713.41400	1.0
731.42444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.63785	0.1
61.98826	100.0
62.98535	0.2
63.15328	0.1
64.62873	0.1
70.41346	0.4
71.01389	0.3
75.00867	0.3
78.95930	0.2
80.59166	0.1
85.02973	0.3
99.00883	0.3
106.65629	0.1
113.02464	0.2
152.99580	0.1
157.01465	0.1
171.10295	0.4
172.10667	0.2
225.11392	0.1
255.23250	1.0
277.21738	0.2
278.22195	0.2
281.24942	0.1
307.82950	0.1
345.54688	0.1
435.90585	0.1
598.79651	0.1
705.31445	0.1
712.40845	0.1
713.41614	0.5
731.42303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48249	0.3
59.01361	0.8
60.99304	18.5
61.98825	3.1
70.82349	0.8
71.01382	0.3
78.95905	0.5
87.00884	4.4
88.00397	0.6
88.98811	100.0
89.02448	24.9
89.99141	0.9
90.02770	0.5
118.14378	0.3
152.99637	0.4
154.43112	0.3
169.57018	0.3
171.10316	0.4
175.00986	0.3
177.21103	0.3
277.21738	0.6
382.75269	0.3
400.10748	0.3
424.11642	0.4
438.13406	2.1
439.13901	1.1
451.14389	0.3
453.15326	0.3
462.98898	0.3
467.13504	2.3
468.13715	0.8
470.12759	0.3
481.15173	14.1
482.15659	7.4
483.16269	0.8
495.16742	1.4
496.17395	1.1
497.18506	2.9
498.18307	0.8
514.14923	7.0
515.15057	2.3
525.13916	0.5
528.16705	0.6
536.90833	0.4
540.16223	3.7
541.17017	1.2
554.17889	0.4
555.18915	35.5
556.19165	11.3
572.15576	5.5
573.15942	2.2
586.17310	0.5
627.21436	0.5
641.22546	1.8
642.22992	0.7
659.23651	25.7
660.23944	9.4
676.22296	0.4
703.23083	0.5
731.25861	4.4
732.26129	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	731.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
63.23532	0.1
69.67584	0.1
69.67995	0.5
71.01376	0.4
75.00869	0.1
75.62166	0.1
85.02935	0.2
89.02443	0.2
91.05524	0.1
93.03458	0.6
101.02451	0.1
107.05046	0.1
113.02431	0.1
117.03488	0.2
119.05038	92.7
120.05365	4.3
121.02976	0.2
125.02490	0.1
142.46440	0.1
145.02937	0.2
147.04512	0.2
149.02510	0.1
151.04065	0.1
163.04019	100.0
164.04352	5.5
173.04517	0.1
177.05525	0.1
191.05617	0.3
195.05069	0.1
195.06740	0.1
203.79340	0.1
205.05074	0.2
208.03801	0.1
223.06041	0.5
237.15462	0.1
258.76074	0.1
271.08255	0.2
325.09274	18.9
326.09631	1.9
431.15430	0.1
728.68402	0.1
731.25641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33699	0.2
55.01876	0.4
57.03449	0.3
58.00587	1.0
59.01377	32.6
60.01729	0.7
62.79730	0.2
69.83582	0.5
69.83991	0.9
71.01383	20.7
72.01727	0.4
72.23050	0.2
72.99316	1.8
73.02958	0.7
75.00880	0.5
83.01387	0.8
85.02958	3.8
85.03455	0.3
87.00907	0.9
89.02450	20.7
90.02777	0.3
93.03478	0.4
95.01388	1.5
96.96073	0.3
96.96998	0.3
97.02945	0.3
99.00903	0.5
99.08170	0.3
101.02449	14.4
109.03031	0.3
113.02460	8.3
114.02853	0.3
119.03523	10.1
119.05015	4.7
121.02945	0.4
125.02496	0.6
127.04461	0.2
131.03528	0.7
134.03802	0.3
135.04530	0.5
137.02510	0.3
143.03494	0.7
143.07170	0.4
149.04572	0.5
153.01955	0.3
161.04602	0.4
161.08218	0.7
163.04030	4.9
164.04359	0.6
165.04111	0.6
173.04585	0.5
179.03539	0.5
179.05589	1.3
191.05620	0.9
193.05080	0.5
201.75330	0.2
203.03157	0.2
257.97552	0.2
265.02521	0.2
268.60818	0.2
311.11224	0.8
323.13470	100.0
324.10010	0.5
324.13788	8.0
325.09271	0.5
353.08569	0.4
371.96982	0.3
375.12915	0.4
417.13843	0.4
702.02179	0.3
729.23120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63259	0.1
57.03469	0.1
59.01369	0.3
61.98829	100.0
62.98543	0.3
71.01389	0.2
71.59059	0.2
72.88528	0.1
73.39003	0.1
74.31228	0.1
75.00891	0.1
78.95913	0.4
83.01398	0.2
87.00149	0.1
88.98825	0.4
95.61003	0.1
95.83900	0.1
101.02433	0.1
103.18983	0.1
109.06657	0.1
110.52931	0.1
125.02444	0.5
137.02489	0.1
138.42548	0.1
149.02470	0.1
151.04033	0.4
152.99545	0.1
161.02531	0.1
164.41391	0.1
171.10356	0.1
177.01990	0.2
195.13873	0.1
197.11844	0.2
207.10202	0.2
209.11966	0.2
211.13383	0.1
216.87019	0.1
223.13443	0.4
225.11354	0.3
271.06174	0.2
289.07162	0.3
291.19769	0.1
293.21304	0.2
419.72742	0.1
430.54642	0.1
730.40527	0.2
731.38141	0.1
744.36902	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	729.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
57.03450	3.2
58.00582	1.5
59.01096	0.4
59.01378	8.2
61.98819	1.5
68.99803	0.7
69.03444	1.6
71.00990	0.5
71.01387	12.1
72.99319	2.8
73.02945	2.3
75.00876	33.6
76.01224	0.5
76.65026	0.4
83.01400	1.2
84.02179	0.7
85.02969	8.3
87.00885	6.8
87.04507	2.2
89.02452	4.1
91.60756	0.4
95.01419	0.6
97.02985	2.3
97.06614	0.9
98.20617	1.1
99.00884	3.5
100.04466	0.4
101.02456	3.0
103.00347	0.5
106.58457	0.5
111.00897	1.3
113.02473	1.9
113.06132	0.7
115.04032	0.7
119.03507	0.5
119.08648	0.5
121.06608	0.9
123.08149	0.7
125.09743	7.3
127.11287	1.0
129.01958	8.4
139.07721	0.6
141.01961	2.5
153.01970	1.0
153.09193	1.1
155.10754	3.0
157.08730	0.7
159.03026	3.8
161.04567	0.7
171.10248	1.7
177.04063	30.7
178.04437	1.0
181.12369	0.6
183.10271	1.7
195.05125	0.9
199.09773	0.9
201.11333	52.8
202.11699	3.4
215.12836	1.4
241.14894	0.4
269.13879	0.8
301.20227	0.5
343.13931	3.9
346.52829	0.5
349.18887	0.5
361.14948	1.4
371.24512	1.5
379.16061	9.0
380.16379	0.7
389.25555	0.9
533.29517	1.4
551.30780	5.1
552.30420	0.5
596.74219	0.4
615.37653	0.4
693.33905	2.7
729.35699	100.0
730.36005	23.1
730.49237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72858	0.1
59.01376	0.1
61.98830	100.0
62.98537	0.2
62.99239	0.1
69.42294	0.1
87.40858	0.1
139.22940	0.1
139.74927	0.1
157.47581	0.1
223.13429	0.2
224.13820	0.2
225.14003	0.1
346.86472	0.1
543.01526	0.1
602.00305	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	729.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
59.01377	5.8
59.94466	0.6
61.98831	6.1
62.94009	0.5
63.02408	0.8
64.10621	0.5
65.00317	10.1
71.01392	5.1
71.64320	0.7
72.05757	0.6
72.99305	1.6
73.02962	1.8
75.00877	6.4
79.18150	0.7
83.01385	5.5
85.02937	3.9
87.00877	3.3
88.98782	0.6
89.02459	1.8
93.03475	3.7
95.01404	0.8
97.02931	0.8
99.00903	1.0
101.02483	2.6
105.02043	0.6
107.01400	19.5
107.02135	1.1
109.02966	2.7
113.02460	2.1
119.03586	0.7
119.05045	1.1
121.02963	6.7
123.04547	0.7
124.01703	0.9
125.02454	3.3
129.01950	1.7
131.01382	3.6
133.02977	1.0
135.04533	0.7
137.02437	5.2
145.03029	0.9
148.01682	0.9
149.00714	0.8
149.02477	1.7
151.00388	100.0
152.00714	3.6
153.01875	0.7
155.10751	0.7
159.04434	0.9
161.02473	0.9
163.00412	1.3
163.04086	0.8
165.01982	1.8
169.01512	2.8
171.04514	1.7
173.02438	0.8
175.00371	18.7
175.03940	0.9
176.00713	0.9
177.01921	0.8
177.04065	4.0
178.99861	6.9
179.03479	0.9
187.04001	1.1
191.05701	0.8
192.00658	0.6
193.01424	4.1
195.05101	1.3
199.04012	4.2
201.01982	1.0
201.11237	0.8
203.03523	1.2
205.01476	1.6
205.05014	0.8
211.04031	0.7
215.03505	2.2
216.04207	0.6
226.02695	1.3
227.03424	3.6
228.04109	0.8
239.05592	1.3
242.02245	1.0
243.02977	4.0
254.02301	0.7
255.03021	3.7
256.03546	0.9
257.04593	1.3
271.02457	62.4
272.02768	5.2
273.03918	1.2
282.01645	0.9
283.02515	0.7
293.09265	0.9
299.01971	87.4
300.02634	27.4
301.03516	49.1
302.03918	4.4
313.03351	1.0
343.04901	0.7
371.24295	0.9
389.25333	0.9
433.07849	3.5
447.09354	3.0
461.07062	3.1
537.32574	1.1
551.30481	2.9
565.09674	1.0
582.10162	6.0
583.10950	79.3
584.11310	14.1
584.18646	0.4
665.22485	1.0
685.36462	1.1
697.24353	0.9
729.16827	86.1
729.35876	12.4
730.17102	21.7
730.36066	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	727.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06758	0.2
57.03442	0.4
58.54541	0.2
59.01376	1.3
61.76107	0.2
61.98830	7.6
69.03440	0.5
71.01386	0.6
78.95931	0.2
81.03397	0.2
83.05025	0.3
87.00887	0.2
87.04528	0.2
88.98799	0.4
95.05026	0.2
96.96046	0.3
99.00945	0.2
101.02457	0.3
109.06599	0.4
113.02451	0.2
119.05090	0.2
121.02972	0.3
125.02458	0.4
127.26119	0.2
137.02452	0.4
149.09712	0.2
151.00319	0.3
153.30634	0.2
165.01915	0.2
167.10759	0.6
171.10378	0.2
172.26318	0.2
179.10776	0.5
179.14407	0.9
181.08775	0.2
195.13914	2.6
197.11777	0.3
199.09756	0.3
201.11450	0.3
205.12323	2.2
207.10222	0.4
209.11784	0.4
211.13377	0.8
223.13394	23.5
224.13739	2.1
225.11276	0.4
271.13089	0.2
289.06970	0.2
309.20654	0.2
407.29630	0.8
455.31750	0.3
503.33743	100.0
504.34085	19.3
727.33234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62026	0.1
55.03856	0.1
57.03448	1.3
59.01374	4.4
59.42028	0.2
71.01381	3.0
72.99323	0.2
73.02965	0.4
74.91582	0.1
75.00860	0.2
77.51678	0.2
83.01377	0.3
85.02536	0.2
85.02937	0.9
87.00883	0.3
89.02451	2.0
93.03456	1.0
97.02972	0.2
99.00922	0.4
101.02451	1.5
109.03004	0.2
111.00928	0.2
113.02483	1.5
113.56625	0.2
117.03474	0.5
119.05043	96.7
120.05372	4.7
121.02946	0.5
121.06636	0.2
121.19989	0.1
123.08226	0.5
125.02487	0.3
135.04573	0.3
137.02496	0.3
143.03448	0.2
145.02979	1.3
146.71083	0.1
147.04515	0.2
149.02373	0.3
149.06108	0.2
151.07668	1.4
161.02519	0.3
161.04594	1.8
161.09753	0.5
163.04030	100.0
164.04356	5.1
165.09218	0.5
173.04567	0.2
175.02551	0.2
177.09196	0.3
178.02776	0.2
179.03546	0.2
179.05627	1.3
179.07034	0.2
179.10773	1.0
188.08488	0.6
190.99861	0.2
191.05577	0.8
193.05074	0.4
196.53920	0.2
203.10783	5.4
204.11096	0.5
205.05174	0.2
208.03799	0.2
214.38240	0.2
221.11826	10.1
222.12180	0.8
223.06154	0.4
237.47290	0.2
299.02045	0.2
311.60162	0.2
323.13373	0.2
325.09274	19.4
326.09583	1.9
340.17862	0.2
341.10870	0.3
355.62280	0.2
383.17010	1.3
385.12143	0.2
401.18347	1.4
402.18741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69747	0.4
55.71178	0.4
59.01377	21.4
61.98824	2.0
67.56567	0.4
71.01382	3.7
73.02962	1.1
78.95909	9.9
85.02938	1.2
86.49449	0.4
87.00925	0.5
89.02470	2.0
95.01446	0.5
96.96987	0.6
101.02439	2.1
103.40314	0.5
109.06590	0.8
113.02489	0.8
119.31133	0.5
123.08173	0.5
125.09755	1.5
127.11301	1.8
129.50018	0.4
145.05090	0.5
152.99602	11.3
153.09192	0.5
153.99985	0.4
161.04657	0.6
163.11224	0.5
171.00679	2.1
171.10281	94.5
172.10637	5.7
175.84618	0.4
181.12341	0.6
197.11852	1.5
199.09727	0.6
201.11363	0.8
207.10274	1.5
209.11870	1.5
210.12283	0.7
215.12846	0.5
221.06711	0.5
225.11307	3.0
229.22751	0.4
235.08229	4.4
253.09279	6.9
254.09622	0.4
255.23277	26.7
256.23605	2.7
267.23236	0.6
277.21710	100.0
278.22055	10.3
279.23260	1.1
280.23550	0.8
281.24374	1.6
293.21320	0.5
361.10355	0.6
407.19336	1.9
453.15427	0.6
471.15744	0.5
513.30762	1.2
519.69183	0.5
524.55554	0.5
636.80945	0.4
637.37305	4.1
638.37482	1.4
691.38293	4.4
692.38690	1.0
709.39362	11.3
710.39697	3.6
727.41492	4.5
727.53503	0.7
728.41937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57394	1.2
61.98823	5.8
62.11600	1.2
70.11391	1.0
72.98144	1.4
78.95907	48.7
83.05024	2.4
86.04288	1.1
96.97006	6.6
98.20672	2.4
115.34544	1.2
152.99596	35.8
163.11253	2.4
165.12830	1.7
171.00700	4.7
171.10280	13.7
195.13736	1.9
209.11845	37.4
210.12196	4.5
217.28134	1.4
227.03287	1.5
227.12871	7.1
241.01205	5.2
255.23282	100.0
256.23666	10.7
277.21701	1.8
293.21191	3.2
295.22836	3.9
304.56683	1.3
363.12106	1.9
377.87204	1.3
429.20898	2.1
431.22092	2.7
437.15973	4.2
693.39960	8.2
694.40491	1.8
725.42487	84.7
726.42950	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	727.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03451	6.6
59.01377	40.0
65.03957	1.5
66.88284	0.6
67.01890	2.4
68.99803	1.6
69.03456	10.5
69.88862	2.5
71.01381	21.1
72.99298	2.5
73.02947	14.8
81.03466	5.0
83.01373	4.7
83.05044	3.4
84.02184	0.8
85.02954	59.9
86.03301	0.9
87.00882	100.0
88.01207	1.2
89.02464	0.9
93.03462	7.8
95.01392	21.4
97.02960	28.2
99.00891	2.4
99.04543	4.8
100.04760	0.6
101.02433	3.2
103.04028	9.0
108.02211	1.4
109.02966	8.8
111.00883	10.0
111.04511	1.4
111.66457	0.6
112.01689	0.9
113.01711	1.3
113.02460	17.1
113.85624	0.7
115.00381	11.4
115.04015	1.9
119.05067	0.7
121.02967	1.0
121.06567	0.6
123.04534	1.6
125.02455	2.2
127.04032	15.7
129.01956	1.8
133.75563	0.7
135.04535	1.2
137.02438	6.8
137.88857	0.6
139.00389	14.5
139.04018	1.1
140.00674	0.7
141.05569	2.3
145.05074	6.5
149.00677	0.7
151.02205	1.5
151.04082	0.7
153.01913	1.6
155.03505	2.7
157.01439	11.0
163.03970	1.1
166.19131	0.6
167.03477	1.2
169.05069	4.0
171.03004	2.4
172.03387	0.7
173.04570	2.1
175.02489	54.2
176.02806	2.6
179.03535	1.0
181.01393	2.1
181.04887	0.9
191.05609	1.4
195.01208	2.8
199.02489	35.6
200.02745	1.7
204.64671	0.6
204.66908	0.7
213.03912	1.0
217.03523	21.6
218.03903	0.7
223.06041	0.8
239.00294	1.1
241.03560	1.6
241.06763	0.6
253.03477	1.4
259.04642	0.8
269.11838	0.7
285.06137	2.7
301.05518	1.2
303.07190	18.9
304.07574	1.4
321.08212	7.7
327.07364	0.7
345.08252	8.8
346.08920	0.7
387.09329	19.1
388.09720	1.9
401.05591	2.3
405.10336	9.0
521.11407	0.8
563.12549	1.9
581.13385	1.4
623.14618	8.1
624.14935	1.6
685.18231	3.2
709.18524	19.1
710.18585	4.2
727.19501	28.0
728.20306	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	725.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.2
55.29326	0.2
57.03447	0.1
58.00581	0.3
59.01377	32.4
60.01696	0.4
60.99312	0.3
61.98828	15.8
64.45859	0.1
68.99818	0.1
69.36329	1.6
71.01380	2.2
71.01714	0.2
72.99313	0.4
73.02957	0.8
75.00875	0.6
81.47874	0.1
83.01414	0.3
83.05061	0.3
84.03272	0.2
85.02955	0.7
87.00889	0.4
88.98802	1.0
89.02465	0.9
93.03465	0.2
95.01373	0.3
96.96045	0.3
99.00841	0.2
99.04457	0.2
101.02450	1.5
105.74078	0.1
108.02222	0.2
109.02985	0.5
113.02480	1.2
115.01184	0.2
116.92849	1.0
117.03516	0.2
119.03556	0.7
119.05038	1.1
121.02996	0.3
122.03787	0.2
123.04536	0.4
125.02480	0.8
132.02084	0.2
133.02971	0.2
133.57774	0.1
134.03751	0.3
135.04565	0.3
137.01558	0.2
137.02435	0.8
138.02814	0.2
145.02965	0.9
147.04468	0.1
149.02496	0.3
151.00385	0.4
151.04060	0.5
152.01089	0.2
155.03500	0.1
160.01686	0.4
161.02481	0.5
161.04564	0.8
162.03183	0.3
163.04031	0.6
165.01930	0.4
165.05588	0.2
171.10257	0.2
175.03987	0.3
177.01939	0.3
187.04012	0.2
191.05632	0.3
193.05045	0.2
199.09877	0.2
201.11403	0.3
205.05121	0.3
209.11896	0.7
221.06636	0.3
225.11261	0.2
226.62958	0.1
227.03601	0.3
227.12860	0.2
229.08704	0.3
246.07747	0.1
255.03041	0.3
257.04315	0.2
257.08218	0.3
271.06232	0.6
283.02573	0.2
284.03247	0.5
285.04053	1.6
286.04407	0.4
287.05261	0.2
289.07025	0.2
301.03284	0.2
387.23907	0.4
451.32202	0.3
503.33719	100.0
504.34079	19.8
517.35498	0.4
518.35712	0.2
527.34003	0.3
545.34674	1.5
546.35571	0.4
549.12518	0.4
563.28186	0.2
579.13647	0.4
579.63934	0.2
588.37000	0.2
628.16559	0.2
665.39117	2.7
666.39728	0.7
686.93939	0.2
689.32349	0.9
690.31921	0.2
710.24347	0.2
725.41693	10.5
726.31512	0.2
726.42078	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03450	1.9
59.01375	4.5
61.98830	3.7
69.03467	0.7
71.01379	4.0
72.99325	1.8
73.02939	0.9
78.95937	0.5
81.03471	0.6
83.01377	0.5
83.05032	1.0
85.02951	1.5
87.00894	1.5
88.98820	2.8
89.02433	2.0
90.04919	0.4
95.01406	0.3
95.05029	1.2
97.02952	0.5
97.06597	5.0
99.00907	0.3
101.02448	4.0
113.02447	2.5
116.92834	0.4
119.03529	0.5
123.08176	0.4
125.02451	0.6
125.09733	0.6
133.10229	0.6
145.05074	0.5
149.09686	0.7
151.11296	13.4
152.11623	0.8
152.99548	0.5
161.04565	1.5
169.12354	48.4
170.12694	2.5
171.10335	0.4
175.69054	0.3
179.14452	0.8
195.10225	1.9
195.13902	6.4
196.14359	0.6
205.12355	0.6
207.16823	0.4
209.11800	1.0
213.11346	6.3
214.11577	0.3
223.13393	4.0
228.13614	0.4
231.21129	0.4
235.08286	1.0
253.09264	3.3
256.13116	0.6
275.20227	3.6
277.21985	0.5
279.19656	0.8
293.21216	24.1
294.21506	2.7
431.19260	1.4
449.20135	2.1
475.53485	0.4
496.58267	0.4
725.41309	100.0
726.41675	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	725.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03454	0.2
58.00599	0.2
59.01375	34.0
60.01712	0.4
61.98827	13.7
65.41899	0.2
69.65362	0.9
71.01383	2.0
72.27194	0.1
72.99313	0.4
73.02951	0.7
75.00876	0.5
78.95887	0.2
83.01404	0.5
85.02962	1.0
87.00878	0.3
88.98814	1.1
89.02434	0.9
90.19566	0.1
93.03490	0.3
95.01427	0.3
96.96017	0.2
101.02442	2.0
107.01388	0.2
108.02225	0.2
109.02950	0.4
113.02435	1.5
116.92876	1.2
117.03451	0.2
119.03532	0.6
119.05006	1.0
121.03019	0.4
123.04522	0.5
125.02434	0.8
133.02995	0.2
134.03738	0.3
135.04509	0.3
137.02454	0.9
145.02960	0.7
147.08194	0.2
149.02470	0.2
150.03246	0.2
151.00359	0.7
151.04002	0.4
160.01675	0.4
161.02461	0.4
161.04626	0.6
161.06017	0.2
163.04013	0.9
165.01933	0.3
165.05658	0.2
175.04080	0.4
177.01932	0.2
179.05624	0.2
191.05563	0.2
193.05164	0.1
199.09799	0.2
205.05078	0.2
209.11833	0.5
221.06699	0.4
227.03384	0.2
229.04906	0.2
255.03108	0.3
271.06082	0.5
283.02649	0.2
284.03284	0.3
285.04053	1.2
289.07217	0.3
389.28299	0.3
407.29868	0.2
451.32245	0.2
485.33344	0.2
503.33713	100.0
504.34082	20.3
517.35516	0.4
545.34729	1.7
546.35413	0.3
565.22058	0.1
575.36023	0.2
579.14117	0.3
662.38684	0.2
665.38971	2.3
666.39679	0.5
689.32098	0.6
690.32452	0.2
720.21057	0.2
725.41663	10.9
726.30823	0.2
726.42035	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
57.03437	0.7
59.01377	12.1
61.98835	1.2
63.50597	0.2
65.06916	0.2
65.77950	0.2
69.03455	1.9
70.59289	0.6
71.01382	2.6
71.05021	0.7
73.02936	0.6
78.95901	0.3
81.03493	0.2
83.01371	0.3
83.05034	0.5
85.02965	0.5
85.06596	0.4
87.00879	0.6
89.02449	1.8
93.03457	0.2
95.01412	0.2
95.05039	0.5
97.02972	0.2
97.06592	0.5
101.02451	2.2
101.49394	0.2
102.05077	0.2
103.32705	0.2
109.06605	0.6
111.08173	0.2
113.02451	1.1
119.03513	0.4
125.09750	0.5
131.03491	0.2
135.11798	0.6
138.46175	0.2
141.09207	0.3
143.03506	0.4
145.05080	0.4
149.09714	0.7
153.09259	0.3
153.12885	0.2
161.04642	1.4
161.13332	0.4
167.10799	3.4
169.12350	0.8
177.12866	0.6
179.05624	0.5
179.10797	1.5
179.14432	3.4
195.13919	10.1
196.14215	0.8
197.04178	0.2
197.11836	9.7
198.12146	0.6
205.12337	9.5
205.14288	0.4
206.12703	0.8
211.13489	0.3
223.13388	100.0
224.13734	7.2
235.08205	3.0
253.09286	5.4
257.52786	0.2
269.85239	0.2
270.90872	0.2
291.19653	1.3
293.67340	0.2
309.20734	2.4
310.21036	0.3
387.06497	0.2
411.25421	0.7
429.26462	1.0
430.44180	0.2
433.20758	0.7
441.21216	2.4
442.21664	0.4
459.22327	16.1
460.22742	1.8
479.42496	0.2
503.30310	0.2
595.31036	0.5
621.33105	0.7
647.34387	2.6
648.34985	0.8
665.35327	3.6
666.36279	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.39
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.8
59.01367	3.9
59.47757	0.5
61.98837	1.1
68.71253	0.6
69.03403	0.7
71.01379	5.0
71.32311	1.2
72.13565	0.6
73.02953	3.0
78.95906	61.4
83.05015	0.7
85.02969	0.6
95.05042	2.5
96.96981	6.0
97.02966	1.2
109.06606	5.9
120.18194	0.6
121.23510	0.5
123.08167	0.8
125.09748	3.2
127.11291	3.5
137.09731	0.8
139.07657	0.7
150.98007	0.9
152.99599	85.5
153.09178	1.1
153.99933	1.8
155.10815	1.7
161.09715	1.2
163.11284	4.1
169.12364	0.9
171.00653	10.0
171.10283	100.0
172.10614	5.4
179.10832	1.9
181.08713	0.7
181.12363	3.1
185.11809	1.9
189.09212	1.7
194.49283	0.7
197.11833	2.3
199.09735	10.5
199.13399	1.4
200.10129	0.8
201.11331	10.6
207.10266	13.2
208.10675	1.4
209.02164	1.3
209.11812	1.2
215.12822	2.9
225.11316	19.2
226.11711	1.6
227.03278	6.8
227.12845	1.3
228.13225	1.0
243.12337	3.3
245.04326	2.7
253.21712	18.7
254.22119	1.3
255.23167	3.3
261.13409	3.5
277.21729	2.0
278.21994	1.6
279.22427	1.0
307.09393	1.4
335.09073	1.2
361.10727	2.1
379.11676	3.4
381.13312	1.4
397.12576	3.6
399.14240	36.3
400.14612	3.9
409.12735	1.3
427.13571	3.3
429.15213	1.0
435.14072	3.3
453.08908	1.2
453.15268	20.4
454.15717	1.9
471.16360	32.9
472.16599	4.4
489.17419	10.4
490.17297	0.9
635.35803	31.1
636.36041	5.7
663.34790	0.9
689.36798	9.4
690.37408	1.9
707.37885	46.7
708.38300	9.2
725.38977	16.3
725.51917	1.0
726.38904	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	725.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47330	0.5
59.01372	4.3
61.98827	14.9
68.99868	0.9
69.43388	5.6
71.01070	0.8
71.01439	2.7
73.02985	0.9
75.00909	1.1
83.01411	1.3
85.03018	1.3
87.00895	1.3
88.98869	1.8
89.02471	1.0
93.03521	0.9
96.05792	0.6
101.02517	0.8
107.01485	1.9
107.41016	0.6
109.03037	0.9
109.85763	0.6
113.02544	1.7
116.92888	0.7
117.03611	0.6
119.05018	3.5
122.03826	0.6
123.00912	0.6
123.04585	1.2
125.02540	1.7
135.04596	1.0
137.02536	1.8
145.02953	3.2
149.52620	0.6
151.00381	4.3
151.04114	0.6
153.02145	0.6
154.35323	0.6
157.06657	0.6
159.04587	0.7
161.02516	0.8
163.04115	1.4
165.01964	0.9
168.00758	0.7
172.05379	1.7
173.02397	0.7
173.06119	0.7
174.03313	1.1
175.04018	0.7
177.01956	1.1
179.00072	0.7
183.04573	0.9
185.06180	0.6
187.04025	1.5
187.07658	9.8
188.08032	0.7
189.02036	1.3
189.05548	3.6
199.04128	1.5
200.04855	2.8
201.05592	3.3
203.03558	3.7
203.07350	0.8
204.04420	2.6
209.11864	0.7
211.04108	2.2
215.03606	2.7
215.07079	2.9
216.04416	1.7
217.05031	9.2
218.05717	3.0
227.03540	6.4
228.04329	2.7
229.05025	8.2
229.06844	0.7
230.02235	0.6
230.05638	1.0
231.02957	2.3
231.06743	1.6
232.03754	3.8
233.04468	2.8
240.04324	1.0
241.05151	1.7
242.02231	0.9
243.02979	5.7
244.03716	1.3
245.04518	23.0
246.05170	4.3
247.06276	0.8
255.02917	3.1
255.06848	1.3
256.03671	3.3
257.04648	27.8
257.08258	14.4
258.02246	0.7
258.04968	3.0
258.08521	0.9
259.06235	2.5
260.03357	2.4
261.04141	1.4
271.02893	1.3
271.06223	7.5
272.06873	20.8
272.09778	1.2
273.04285	3.3
273.07596	27.2
274.05170	0.7
274.08047	3.1
275.09320	1.6
283.02554	2.4
284.03265	2.2
285.04041	17.5
286.04449	1.6
287.05634	7.5
288.06268	3.7
289.07178	47.2
290.07590	6.8
299.02124	2.3
299.09372	0.8
301.03662	1.3
304.05884	3.9
305.06705	10.7
306.07193	1.4
315.08643	2.9
345.09894	0.8
367.05591	0.7
368.06665	0.8
369.07715	0.7
381.07813	1.1
393.07535	1.2
394.08682	1.0
395.05228	1.0
395.09894	1.5
396.05762	0.9
397.07227	1.4
398.08374	0.8
401.10333	0.9
405.07617	1.6
409.07193	1.8
410.08115	1.6
411.08902	5.6
413.06070	3.3
421.06992	7.3
422.07825	4.5
423.04919	1.7
424.05646	1.0
425.06366	0.8
425.12802	0.7
427.07965	1.1
428.08792	0.9
429.10205	1.3
439.08017	1.5
441.10010	1.3
443.07382	0.8
444.08566	0.8
447.09238	2.7
450.07346	1.2
455.11710	5.1
456.07986	0.8
457.09369	1.7
465.09723	5.2
466.10315	4.0
467.07800	2.5
468.08298	1.7
470.10263	1.0
471.10983	2.0
472.11621	1.3
475.10468	0.7
482.10217	0.7
483.10837	2.4
485.08405	4.0
486.09753	0.9
494.09769	0.8
498.12250	0.7
501.12003	2.3
502.12729	0.8
503.09845	2.5
503.33725	0.8
508.11346	0.8
509.12363	5.7
510.13287	1.6
511.10083	0.8
519.12793	1.1
523.14215	1.0
527.13226	6.9
528.13605	1.1
529.11292	2.5
530.12122	0.8
538.12445	0.7
544.14081	0.7
545.14563	3.8
546.15186	0.8
547.12421	12.8
548.12933	2.2
551.13434	1.6
562.07813	0.6
562.14832	40.7
563.15607	100.0
564.16022	19.8
569.14771	2.3
575.15356	1.3
579.14685	2.0
587.16193	0.9
605.16687	5.6
606.16748	1.7
681.20795	2.0
707.20032	1.4
709.55200	0.7
725.21014	81.9
726.21313	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1741
Annotation	cyanidin 3-O-beta-D-(p-coumaroyl)-sambubioside
Peak:m/z	Relative Intensity
51.95115	0.2
54.66753	0.2
59.01376	2.2
61.58426	0.2
61.98833	6.2
69.03439	0.2
69.52009	1.1
69.52425	0.6
71.01383	1.9
72.99308	0.2
73.02945	0.6
75.00877	0.3
78.95908	0.2
83.01399	0.9
85.02944	0.9
85.04058	0.2
87.00867	0.3
88.98817	0.9
89.02444	1.1
93.03467	1.9
95.01414	0.3
96.95997	0.2
97.02975	0.3
99.00867	0.3
101.02467	1.0
107.01397	0.6
109.02955	0.6
113.02475	0.8
116.92854	1.3
117.03478	0.6
119.03510	0.2
119.05029	0.8
120.02272	0.2
120.14430	0.2
121.03013	0.5
123.00829	0.3
123.04549	0.6
124.01717	0.2
125.02466	1.1
126.02789	0.2
130.04288	0.3
133.02982	0.4
135.00883	0.5
135.04489	0.5
135.74527	0.2
137.02460	1.3
137.09705	0.3
141.07152	0.2
143.05031	0.6
145.02985	0.7
146.07054	0.2
149.02371	0.2
149.06102	0.2
151.00388	0.8
153.01881	0.4
153.05573	0.7
154.04253	1.2
155.05020	0.4
155.10832	1.1
157.06581	0.4
159.04500	1.0
160.01752	0.2
161.02486	1.6
161.04504	0.3
161.06082	0.2
163.00415	1.0
163.03999	0.5
164.01071	0.3
165.01921	1.4
167.05080	0.4
168.05692	0.3
169.06607	3.1
169.12428	0.2
170.07002	0.3
171.04562	0.9
171.10287	0.9
173.02475	1.0
173.04631	0.3
173.06102	0.4
175.03949	0.4
177.04135	0.4
179.05605	0.3
183.04599	0.3
185.06094	2.6
185.85820	0.2
186.06448	0.2
187.04018	2.3
187.07581	0.9
189.05594	2.0
190.05957	0.2
191.05681	0.3
193.05042	0.2
195.04576	0.7
197.06097	0.5
198.03197	0.4
199.03990	0.8
199.09740	0.5
201.05577	0.5
201.11374	0.8
203.03651	0.2
207.10326	0.2
209.11845	0.8
211.04065	1.0
211.07596	0.2
212.04700	0.4
213.05588	3.4
213.11305	0.3
214.02693	1.5
215.03494	1.0
215.07164	0.3
217.05141	0.3
225.11240	0.2
227.03502	4.4
228.03995	0.5
229.05084	4.1
230.05353	0.2
239.03484	0.9
240.03995	0.2
241.05000	1.2
243.02979	1.8
253.09308	0.3
255.02975	4.7
256.03650	1.0
257.04550	3.4
257.08145	1.2
267.03061	0.5
269.04526	0.3
283.02484	0.7
284.03296	2.8
285.04044	100.0
286.04385	8.8
286.07599	0.2
289.07285	0.3
293.06775	1.2
300.02747	0.3
301.03259	0.3
341.06668	0.3
394.91461	0.2
399.23798	0.3
431.09833	41.2
432.10178	6.1
432.16180	0.3
443.19006	0.2
502.32834	0.3
503.33722	1.3
571.11816	0.6
571.61908	0.4
579.11456	10.7
580.11694	2.3
725.16785	2.0
725.33844	1.7
726.18091	0.5
726.33112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33425	0.1
57.03434	0.1
59.01377	5.3
61.98829	100.0
62.98531	0.2
65.00331	0.1
69.55876	0.7
71.01381	0.7
72.99318	0.2
73.02948	0.2
75.00880	0.1
76.41738	0.1
78.95924	0.1
83.01413	0.3
83.05035	0.3
85.02952	0.4
87.00909	0.2
88.98824	0.4
89.02455	0.4
93.03486	0.3
96.96040	0.2
97.02995	0.1
98.20238	0.3
101.02455	0.4
107.01417	0.3
108.02206	0.1
109.02969	0.3
113.02448	0.4
116.92880	0.4
117.03476	0.6
117.92900	0.1
119.03510	0.1
119.05025	0.7
120.05380	0.1
120.91632	0.1
121.03008	0.1
121.10320	0.1
123.04472	0.2
124.01658	0.1
125.02464	0.4
132.02190	0.1
133.02972	0.1
135.08171	0.1
137.02467	0.4
145.02971	1.5
146.03323	0.2
149.02490	0.1
150.03300	0.1
151.00374	0.3
151.04083	0.2
152.01086	0.1
153.01938	0.1
159.04489	0.1
160.01707	0.1
161.02489	0.2
161.04623	0.2
161.06018	0.1
163.04039	0.6
163.11322	0.2
164.04393	0.1
165.01967	0.3
165.12843	0.1
168.00659	0.2
171.10339	0.2
173.04527	0.1
175.03926	0.1
177.01955	0.2
179.05695	0.2
183.04512	0.3
185.06230	0.1
187.04028	0.2
187.07617	0.1
189.05545	0.1
191.05640	0.3
193.05038	0.1
201.11307	0.9
202.11752	0.2
205.05180	0.2
209.11835	4.2
210.12155	1.3
211.04073	0.1
211.07533	0.4
212.08025	0.1
213.05537	0.1
227.03558	0.8
227.12846	0.7
228.03867	0.2
228.13168	0.1
229.05017	0.3
229.08710	0.3
230.05392	0.1
235.08249	0.1
253.09325	0.5
255.02975	2.7
256.03299	0.7
257.04565	0.1
257.08221	0.5
258.05014	0.1
271.06042	0.5
283.02466	4.4
284.03073	2.1
285.03989	3.0
286.04291	0.9
287.05017	0.2
289.07227	0.1
377.12042	0.1
406.28549	0.1
430.09009	0.9
431.09720	0.3
445.20877	0.1
455.31830	0.1
456.31754	0.1
470.29831	0.2
471.30215	0.2
471.59088	0.2
472.09378	0.1
500.30792	0.2
501.32159	6.5
502.32516	5.5
503.33716	12.0
543.33240	0.2
544.33673	0.1
545.34979	0.2
563.15802	0.1
577.13477	1.2
577.63672	2.0
578.13843	1.6
578.64197	0.3
579.13965	0.3
661.17719	2.6
662.17743	0.7
664.37140	0.1
665.39056	0.4
688.30627	0.1
689.32501	0.3
724.32434	0.7
725.24609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.7
59.01372	8.6
61.98825	5.1
67.83932	0.6
69.03452	1.3
71.01385	6.4
71.59438	0.7
73.02962	1.1
78.95915	2.0
79.43849	0.5
80.02682	0.6
81.03459	1.2
83.01370	0.6
83.05041	5.1
83.80190	0.6
84.02174	1.1
85.02953	1.6
87.00871	1.1
89.02442	4.2
95.05019	0.7
96.21172	0.5
97.02965	0.6
97.06570	0.6
101.02450	5.6
109.06661	0.7
113.02454	2.8
116.92979	0.7
119.03479	0.7
125.02450	0.6
125.06081	0.7
135.08224	0.5
143.03549	0.6
145.05048	0.6
152.99635	1.1
161.04556	2.2
163.11342	3.6
165.12787	2.8
175.98212	0.6
179.05630	1.1
181.12329	1.6
183.13863	3.9
190.49010	0.5
191.10735	0.6
193.12320	0.7
195.13968	1.9
197.11818	3.8
199.13416	6.7
200.13791	1.0
207.10056	1.2
209.11827	100.0
210.12181	7.0
211.13385	46.8
211.89302	0.5
212.13753	3.9
223.13350	1.4
223.21059	0.6
225.11284	1.0
227.12869	27.7
228.13242	1.5
235.08195	5.2
236.08617	0.8
251.60909	0.6
253.09245	16.1
254.09602	0.8
255.13129	0.5
255.84145	0.6
275.20041	2.6
277.21704	92.0
278.22049	11.4
293.17871	1.3
293.21194	24.4
294.21579	2.0
445.20547	1.9
446.20789	0.8
447.22266	1.9
448.22821	0.7
463.21619	2.7
464.22256	0.7
469.33231	1.2
529.30206	0.7
623.09717	0.7
723.40601	4.8
724.40973	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	724.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
61.98829	100.0
63.95332	0.1
69.37618	1.0
83.01420	0.2
98.20717	0.2
107.01378	0.2
108.52526	0.1
109.02989	0.1
117.03482	0.6
119.05059	0.6
120.05334	0.2
123.04562	0.2
137.02481	0.2
142.34534	0.1
145.02974	0.9
146.03297	0.4
151.00368	0.5
163.00360	0.1
163.03970	0.5
165.01898	0.1
169.06560	0.2
182.00890	0.1
183.04559	0.4
185.06174	0.2
187.04024	0.3
189.05611	0.2
209.11920	0.3
211.03996	0.4
213.05443	0.2
214.05916	0.1
227.03529	0.9
228.03952	0.4
229.04955	0.5
230.05351	0.2
255.02968	6.1
256.03336	1.4
257.04559	0.6
258.04861	0.2
283.02469	12.3
284.03058	3.4
285.03983	8.3
286.04376	4.4
287.04709	0.3
429.08450	0.2
430.09009	3.1
431.09778	0.8
432.10211	0.6
501.32266	0.1
577.13556	1.9
577.63959	0.2
578.13873	8.1
579.14093	1.2
661.17822	9.9
662.18115	2.4
724.19586	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4342
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
55.01869	0.4
57.03443	0.8
58.00591	0.4
59.01378	7.3
61.98828	6.0
69.03442	0.3
71.01379	6.7
72.99312	0.4
73.02957	2.4
77.36758	0.4
78.42155	0.3
78.95908	11.8
81.03470	0.6
83.01392	1.2
83.05023	1.5
85.02946	1.7
87.00879	2.2
89.02447	3.5
95.01369	0.6
95.05016	0.4
96.96961	0.9
97.02975	0.3
97.06576	1.2
98.20712	0.6
101.02444	5.8
111.04545	0.6
111.08147	1.2
113.02475	2.4
115.03960	0.5
119.03519	0.8
125.09736	0.5
127.07640	0.4
133.05061	0.5
137.09779	0.5
139.96452	0.3
140.12149	0.3
143.03482	0.5
145.05058	0.9
149.09717	0.3
152.99597	13.6
153.09200	0.7
153.99986	0.4
155.10808	1.8
161.04558	1.6
161.09662	0.4
163.11226	0.9
165.09254	0.6
165.12862	10.9
166.13187	0.6
169.12335	0.4
171.00691	0.9
171.10184	0.6
179.05521	0.5
183.13907	73.5
184.14209	4.3
185.11852	0.7
195.10208	0.4
197.11772	0.8
209.11826	13.3
210.12166	1.4
210.58223	0.4
223.09750	1.5
225.11342	0.5
227.03175	0.8
227.12881	6.3
228.13261	0.6
233.22719	0.8
235.08208	2.9
241.10818	0.6
253.09248	6.4
253.21722	2.5
254.09695	0.5
254.22003	0.5
255.23279	0.8
256.23764	0.5
275.20053	0.8
277.21707	98.0
278.22055	12.4
279.23038	0.5
293.21213	1.1
297.35324	0.4
377.10019	0.6
429.20419	1.0
445.20682	2.2
451.13748	0.5
455.16913	0.6
463.21722	2.7
469.14771	4.8
470.15079	0.8
487.19540	3.7
488.20053	0.5
513.30365	0.5
705.36218	8.5
706.36444	2.4
723.43329	100.0
724.43719	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40055	0.3
57.09319	0.3
58.00590	0.5
59.01380	4.7
61.98834	2.0
69.03452	0.3
71.01378	6.2
71.20796	0.8
71.91156	0.3
72.99315	0.6
73.02946	2.3
78.95905	8.5
81.03467	0.3
81.05682	0.3
83.01411	0.6
83.05020	0.4
85.02959	1.4
87.00890	1.2
89.02444	2.6
89.17327	0.3
95.01395	0.4
95.05015	0.3
96.96972	0.7
97.06590	0.3
101.02458	3.9
109.06586	0.5
110.09254	0.3
111.04521	0.4
111.08189	0.6
113.02461	2.0
119.03503	0.8
123.08264	0.3
125.09743	0.5
127.11324	0.3
130.82744	0.3
133.05132	0.4
135.08118	0.4
137.09775	0.5
143.03560	0.5
151.11316	0.5
152.99606	10.0
153.09216	0.7
155.10808	1.6
161.04601	1.4
161.09756	1.2
162.51712	0.3
163.11325	0.4
165.12872	5.8
165.14145	0.2
166.13269	0.4
167.10760	0.5
171.00655	1.4
171.10321	0.7
179.05629	0.5
179.10808	1.1
183.13907	100.0
184.14249	6.3
185.11792	0.6
197.11835	0.7
199.09758	0.6
201.11385	0.4
205.08711	0.4
207.10316	1.3
208.10606	0.6
209.11861	3.7
210.12169	0.6
213.11308	0.6
223.09756	1.3
225.11322	0.7
227.03310	0.5
227.12909	5.8
228.13170	0.4
235.08194	2.4
241.10757	0.6
245.04338	0.4
253.09299	3.9
253.21675	2.0
255.23354	0.7
275.20157	0.5
277.21713	34.8
278.22037	5.1
279.22464	0.6
293.21121	0.9
319.83255	0.3
337.10864	0.3
347.99548	0.3
377.09924	0.7
419.22968	0.9
429.20795	0.4
445.20917	1.4
451.13834	0.5
463.21759	4.3
464.22238	0.7
469.14740	7.7
470.15085	1.0
487.19592	0.6
575.26709	0.4
705.36328	9.9
706.36462	2.7
723.43402	66.5
724.43726	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	723.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
56.47065	0.1
57.03439	0.2
58.00593	0.2
59.01378	4.1
61.98821	0.2
71.01385	3.5
71.05026	0.3
72.99339	0.2
73.02951	1.0
78.95896	0.7
80.02695	0.9
81.03465	0.9
83.01395	0.7
83.05029	3.4
84.02164	0.6
84.05331	0.2
85.02945	1.0
85.71081	0.1
87.00880	0.9
89.02452	1.9
91.04062	0.2
95.01408	0.4
95.05052	0.5
97.02981	0.2
97.06599	0.2
99.00900	0.2
99.04510	0.1
101.02452	3.0
109.06611	0.4
111.88509	0.1
113.02472	1.6
119.03508	0.5
125.02410	0.2
125.06118	0.3
125.09773	0.2
127.07671	0.2
131.03484	0.1
133.05083	0.2
135.08209	0.5
143.03506	0.3
145.05069	0.8
147.11819	0.2
152.99620	0.8
161.04605	1.3
163.11302	2.8
164.11642	0.2
165.12860	1.8
173.04369	0.1
179.05617	0.3
181.12358	0.5
185.11853	0.1
191.10847	0.7
197.11932	0.2
199.13318	0.2
209.11832	82.3
210.12161	6.0
210.14191	0.3
220.39455	0.1
225.11395	0.1
227.12889	10.3
228.13139	0.8
233.22798	0.2
235.08214	6.2
236.08569	0.3
253.09274	9.3
253.21928	0.1
254.09648	0.6
259.20599	0.3
275.20132	0.5
277.21707	100.0
278.22052	11.1
278.25241	0.3
445.20868	0.6
463.21506	0.1
469.14755	0.4
513.30524	0.2
568.36554	0.1
705.36365	0.7
706.36932	0.3
723.41937	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
59.01374	1.5
60.99295	0.1
61.98813	0.2
67.01888	0.4
69.03445	0.3
71.01389	1.1
71.58559	0.1
71.58917	0.2
72.99342	0.1
73.02950	0.2
75.00864	0.1
78.95892	0.2
81.03465	0.2
83.01400	0.2
83.05025	0.2
85.02953	5.4
87.00877	1.6
89.02460	0.3
93.03463	3.6
94.03807	0.1
95.01404	0.1
96.96033	0.8
97.02946	0.2
99.00874	0.2
99.04524	0.3
101.02441	0.3
109.02985	0.8
111.04538	0.9
113.02464	0.4
115.00393	0.1
117.03430	0.1
119.03576	0.2
119.05029	0.9
119.24084	0.1
121.02956	0.2
122.88042	0.1
123.04493	0.4
125.02440	1.1
127.04018	1.4
129.01953	0.2
133.03000	0.1
134.03725	0.1
135.02785	0.1
135.04517	0.1
137.01572	0.1
137.02470	0.7
138.05521	0.1
143.03561	0.2
145.02948	1.0
150.03160	0.1
151.00389	0.2
151.04041	0.4
153.01952	0.6
155.03528	0.3
159.04536	0.1
160.01588	0.2
161.02425	0.4
163.04010	1.4
165.01880	0.2
171.03014	0.4
173.04536	2.2
175.04010	0.3
177.02016	0.3
179.01735	0.1
181.05057	0.2
191.05615	100.0
192.05954	4.5
193.05038	0.1
211.07658	0.2
271.06052	0.6
289.07184	1.0
290.07626	0.1
300.02701	0.2
317.10342	0.1
337.09277	28.6
338.09619	3.1
429.13974	0.5
433.09326	0.1
435.10809	0.1
543.14496	0.1
561.19702	0.2
625.14111	0.2
723.21985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
59.01377	33.5
60.99298	1.1
61.98829	63.0
63.86212	0.8
66.59956	0.8
69.81400	5.2
71.01381	9.0
72.01736	0.9
72.99301	1.4
73.02940	1.9
75.00873	2.5
78.95908	5.5
82.95397	0.9
83.01385	1.1
83.05003	1.3
85.02929	2.4
87.00858	1.3
88.98811	7.2
89.02447	3.3
92.93390	0.7
93.03425	1.0
95.05022	0.9
96.96017	1.8
97.02924	1.1
101.02459	4.0
107.01421	1.4
109.02920	1.4
109.06596	1.2
113.02436	2.3
116.92858	2.7
119.03503	1.5
119.04980	1.3
123.04539	1.7
125.02438	3.0
135.04544	0.9
137.02411	2.0
142.28075	0.8
145.02919	1.7
151.00363	2.7
151.04059	1.2
152.99576	3.7
153.13112	1.0
161.02400	1.4
161.04504	1.7
165.01913	1.5
171.10263	3.7
172.10544	1.1
175.02414	1.4
175.03905	1.1
177.01910	1.1
178.59854	0.9
185.11833	0.9
197.11716	1.5
201.11299	2.0
207.10210	1.4
209.11778	5.5
211.13394	2.6
223.13376	1.9
225.11237	1.7
271.06024	3.8
285.04071	1.1
287.05310	0.9
289.07089	2.1
294.85614	0.9
453.29675	1.2
470.99036	1.0
471.31104	4.8
501.32184	100.0
502.32523	22.3
633.36377	4.6
634.36603	0.9
658.98694	1.0
663.27356	1.7
663.37561	16.6
664.38196	4.1
723.40234	11.7
724.39514	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	723.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.2
57.03448	0.1
58.00606	0.2
59.01376	3.2
69.03456	0.1
70.90024	0.2
70.90357	0.1
71.01383	2.5
71.05046	0.1
72.99309	0.2
73.02955	0.4
78.95897	0.2
80.02684	1.1
81.03459	1.1
82.03761	0.1
83.01393	0.5
83.05030	4.4
83.18245	0.1
84.02162	0.6
84.05360	0.1
85.02949	0.6
87.00885	0.3
89.02452	2.0
91.03988	0.1
91.06048	0.1
93.03428	0.1
95.01390	0.2
95.05033	0.6
97.02972	0.2
97.06616	0.1
99.00908	0.2
101.02454	2.4
107.05069	0.1
109.06577	0.2
111.08174	0.1
113.02455	1.1
119.03527	0.3
125.02463	0.1
125.06097	0.5
125.09718	0.2
127.07714	0.1
131.03540	0.1
135.08157	0.6
143.03526	0.3
145.05077	0.2
145.10228	0.1
147.11845	0.2
149.09714	0.1
150.61392	0.1
152.99611	0.2
161.04582	0.9
163.11305	3.5
164.11601	0.3
165.12866	2.3
165.14012	0.1
166.13268	0.1
173.09660	0.1
175.37695	0.1
179.05528	0.4
181.12401	0.5
191.10808	1.0
192.11154	0.1
199.13345	0.1
209.11832	100.0
210.12161	7.3
211.13313	0.1
223.13419	0.1
225.11346	0.1
227.12880	10.7
228.13185	0.7
233.22719	0.2
235.08183	1.2
253.09268	7.0
254.09758	0.4
259.20685	0.2
275.20059	0.2
277.21704	48.3
278.22058	5.5
278.25217	0.2
445.20874	1.3
446.21356	0.2
463.21777	0.1
469.14676	0.1
513.30261	0.1
705.35956	0.1
723.43402	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1947
Annotation	Kaempferol 3-(3''-p-coumaroylrhamnoside)-7-rhamnoside
Peak:m/z	Relative Intensity
58.00538	0.3
59.01374	2.3
59.16420	0.3
61.98829	50.9
62.98753	0.3
63.02407	0.8
65.00328	0.6
66.75753	0.3
69.32162	0.5
69.32566	2.6
73.02960	0.4
83.01405	0.7
83.83026	0.3
85.02935	0.3
87.00903	0.2
88.23808	0.2
88.98810	0.4
89.02438	0.3
93.03485	1.1
96.96016	1.4
98.19920	0.7
98.20571	0.5
101.02504	0.3
107.01394	1.9
109.02979	0.5
117.03470	4.6
119.05037	6.1
121.02975	0.8
123.04540	0.4
125.02450	0.4
133.02977	0.3
135.00879	0.8
137.02437	0.6
141.07092	0.3
143.05038	0.8
145.02971	11.2
145.06653	0.5
146.03368	0.4
147.74545	0.3
151.00372	3.5
153.01936	0.4
154.04295	0.9
155.05080	0.4
157.06696	0.5
159.04538	0.9
163.00366	1.5
163.04010	3.9
164.01140	0.6
164.04227	0.3
165.01965	0.4
167.04976	0.4
169.01453	0.4
169.06593	1.8
171.04526	0.9
173.02466	0.6
173.06042	0.7
183.04532	1.0
185.06090	2.5
187.03989	2.6
188.04465	0.3
189.05595	1.5
191.05630	0.7
195.04546	0.7
196.05463	0.4
197.06107	0.8
199.04007	0.8
201.05630	0.5
201.11371	0.9
209.11853	4.3
210.06860	0.5
211.04071	1.9
211.07651	3.9
212.04677	0.4
212.07939	0.4
213.05576	2.8
214.02742	1.0
215.03561	0.8
217.05031	0.3
227.03505	10.0
227.12921	0.7
228.03951	0.9
229.05051	6.4
230.05359	0.5
239.03448	1.6
240.04230	0.5
241.05008	1.3
243.02979	1.0
255.02969	26.3
256.03561	4.3
257.04526	5.6
258.04843	0.4
267.02948	0.5
268.03699	0.4
268.22485	0.3
269.04391	0.3
283.02481	19.1
283.96567	0.3
283.99869	0.3
284.03223	25.8
285.04019	100.0
286.04373	9.2
287.05737	0.3
291.08725	1.4
327.05338	0.3
413.08731	0.7
430.09079	2.5
430.14529	0.4
431.09793	7.7
432.10141	0.6
471.09274	3.5
471.59335	1.1
472.09616	0.5
483.31354	0.4
501.32196	6.5
502.32751	1.2
577.13525	87.9
577.63776	5.7
578.13849	18.7
661.17688	4.0
723.19421	1.9
724.19354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
60.52855	0.2
61.98830	96.6
63.02401	0.6
65.00340	0.8
69.42370	0.7
69.42783	1.6
73.02942	0.3
75.00900	0.2
83.01405	1.0
83.25018	0.2
87.00889	0.4
93.03459	1.6
95.01395	0.2
96.51053	0.2
101.02456	0.3
107.01424	2.0
109.02982	1.0
113.02431	0.3
116.92867	0.3
117.03479	5.5
119.05041	7.6
120.05373	0.4
121.02969	0.7
123.04521	0.4
125.02461	0.9
130.04266	0.3
132.02237	0.3
133.02953	0.3
135.00906	0.8
137.02487	0.6
141.07164	0.2
143.05045	0.8
145.02969	14.3
145.06537	0.3
146.03334	0.9
151.00398	3.8
153.01939	0.5
154.04289	1.2
155.05055	0.3
157.06557	0.3
159.04549	1.1
161.02472	0.4
163.00371	1.7
163.04027	4.8
164.01201	0.3
164.04411	0.4
165.01926	0.7
167.05008	0.5
168.05774	0.4
169.01413	0.5
169.06628	2.0
171.04541	0.6
173.02531	0.8
173.06055	0.6
179.00021	0.2
183.04546	1.3
184.05061	0.2
185.06090	2.5
187.04016	1.9
189.05571	2.0
191.05624	0.4
195.04536	0.8
196.05295	0.5
197.06058	0.6
198.03355	0.4
199.04054	0.6
200.04669	0.2
201.05595	0.5
201.11696	0.2
209.11850	0.8
211.04004	2.1
211.07692	0.8
212.04636	0.4
213.05557	2.9
214.02670	0.7
214.05978	0.3
215.03447	0.8
227.03508	9.7
228.03922	0.8
229.05034	6.5
230.05334	0.6
239.03438	1.4
240.04257	0.5
241.05020	1.4
243.03069	1.5
255.02983	28.6
256.03568	3.5
257.04529	5.6
258.04965	0.5
267.03043	0.5
268.03809	0.3
271.80554	0.2
283.02484	30.0
284.03238	24.8
285.04028	100.0
286.04385	9.5
289.07401	0.2
291.08725	1.6
413.08835	0.8
426.35284	0.3
430.08987	3.7
431.09814	6.6
432.10114	0.7
471.09018	1.1
501.32224	1.8
577.13519	93.6
577.63818	1.7
578.13855	19.8
661.17755	10.1
723.18896	2.3
724.19043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74102	0.2
55.01872	0.1
56.46049	0.1
57.03439	0.3
59.01089	0.3
59.01374	4.1
60.01682	0.2
60.24339	0.1
61.07607	0.1
61.98818	0.1
67.01890	0.7
69.03455	0.4
71.01379	2.9
71.63818	0.2
72.01678	0.1
72.99299	0.3
73.02940	0.4
75.00832	0.2
81.03462	0.3
83.01402	0.2
83.04994	0.2
85.02955	6.2
86.03269	0.2
87.00872	1.6
89.02451	2.4
93.03464	5.6
93.34367	0.1
95.01416	0.2
97.02956	0.2
98.96139	0.1
99.00861	0.3
99.04565	0.2
101.02443	1.7
105.81031	0.2
109.02964	0.8
111.04521	1.4
113.02454	1.2
119.03535	1.2
119.05033	1.8
121.02969	0.3
123.04518	0.2
125.02431	0.6
127.04031	1.3
129.01950	0.3
135.04579	0.2
137.02480	1.0
143.03455	0.2
145.02971	0.9
151.00391	0.2
151.03999	0.4
153.01913	0.2
155.03519	0.5
161.02464	0.2
162.59131	0.1
163.04022	2.6
164.04477	0.2
171.03040	0.3
173.04562	6.3
174.04881	0.2
175.03934	0.2
177.01920	0.3
179.03500	0.2
183.21561	0.1
190.56342	0.1
191.05615	100.0
192.05939	4.6
203.07199	0.2
205.08569	0.1
227.04164	0.1
245.08090	0.2
271.06107	0.4
275.71768	0.2
289.07172	0.7
327.08850	0.2
336.10953	0.3
337.09283	31.2
337.15027	10.0
337.59375	0.5
338.09601	3.7
338.15408	0.9
339.04996	0.1
357.13663	0.3
371.09863	0.3
435.10779	0.2
543.14801	0.3
634.22516	0.2
723.21838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79477	0.6
57.03445	3.5
59.01401	2.5
61.98842	1.1
62.89700	0.6
65.00337	0.8
69.03474	1.4
69.67649	1.1
69.68062	3.2
71.01415	2.7
72.99316	0.6
73.02953	1.2
73.76168	0.6
75.00883	1.3
81.03455	3.4
83.01385	6.9
85.02992	2.6
87.00907	1.6
88.98824	0.9
89.02481	1.2
89.03997	1.4
93.03471	8.7
95.01434	1.3
95.05034	3.9
96.23495	0.5
97.02961	6.3
97.03478	0.6
99.00938	1.0
101.02486	1.0
105.03502	1.7
108.02219	1.5
109.02961	31.9
110.03320	1.0
113.02455	1.5
117.03495	3.3
119.05020	3.0
121.02948	5.3
122.03802	1.5
123.04535	18.9
124.04907	0.8
125.02455	26.4
126.16364	0.6
128.84708	0.7
132.02171	0.9
133.02975	13.0
134.03485	0.9
135.04530	3.8
137.02458	35.3
137.09767	1.6
138.02875	1.5
139.04044	4.7
143.05119	0.7
145.02960	5.4
146.03769	1.5
147.04581	0.9
149.02463	8.1
150.03232	2.0
151.00401	1.1
151.04012	12.3
155.10777	11.0
157.06587	1.4
158.03705	0.8
159.04530	4.9
160.01686	0.9
160.05307	2.1
161.02458	53.6
161.06064	8.9
162.03172	4.4
163.00435	3.2
163.04008	3.3
164.01180	5.0
165.01949	6.9
166.02769	0.7
167.03525	2.7
173.04643	1.2
173.06125	0.9
174.03255	1.3
175.04019	6.0
175.07645	2.1
176.01151	3.2
176.04439	0.7
177.01936	52.5
177.05389	1.2
178.02321	2.9
179.03522	7.4
179.10803	0.9
183.04535	0.8
183.08174	0.8
185.06044	3.9
187.03992	8.2
188.04797	4.8
189.01955	5.2
189.05417	0.7
190.02580	0.7
191.03947	0.6
191.05617	4.6
193.05070	1.1
197.06189	1.1
199.03844	0.8
199.07738	1.6
199.09743	15.5
200.10124	1.4
201.01970	1.0
201.05571	3.7
202.06313	2.0
203.03572	3.0
203.07144	19.5
204.03893	0.6
204.07465	0.9
205.01376	3.9
205.05028	11.4
205.06770	0.9
211.04019	2.3
213.05670	0.7
215.03510	2.4
216.00650	2.3
217.01358	3.6
217.05173	0.7
217.08676	0.6
219.02902	0.6
221.08244	2.6
225.05528	1.3
227.03485	4.1
227.07076	6.5
228.04263	1.0
229.01427	2.2
229.05038	16.4
229.07199	1.1
230.05554	2.3
231.03024	2.0
239.03455	1.0
239.07172	0.8
241.05066	4.4
243.02994	1.0
243.06561	3.8
245.04382	1.8
245.08173	21.5
246.08466	2.0
247.06113	2.5
253.05084	0.8
255.03040	1.9
255.06531	3.1
256.03778	2.0
257.04547	1.7
263.03677	0.7
265.04977	0.8
267.02988	1.1
267.06747	0.8
268.03601	0.9
269.04529	5.0
271.06088	62.9
272.06409	7.4
279.03146	1.1
279.06592	2.2
280.03864	1.1
281.04507	6.3
282.05234	1.9
283.03055	0.9
283.05948	3.4
289.07159	100.0
290.07495	9.6
291.06454	1.2
293.04547	1.9
295.06183	1.3
297.04114	0.8
297.07468	1.0
299.05634	2.7
305.04611	0.7
307.02396	0.9
308.03183	1.3
309.04007	1.2
309.07507	1.2
310.04819	2.0
311.05554	5.3
321.03986	5.8
321.07715	6.8
322.04303	1.1
323.05640	5.8
325.03445	0.9
329.06622	1.5
333.07843	0.9
339.05130	10.6
340.05444	0.9
341.06442	1.4
349.06934	0.8
361.15222	3.0
377.06528	0.7
391.08081	2.0
401.06644	1.5
407.07434	1.0
409.09186	1.7
415.08276	5.4
419.07690	13.7
420.07965	2.5
433.09241	28.2
434.09473	4.0
435.10965	1.6
451.10336	17.2
452.10812	3.1
459.07120	5.3
460.07217	1.0
475.10028	1.2
504.97058	0.7
527.13000	1.1
533.37152	0.6
553.11292	18.9
554.11481	4.7
571.12421	39.1
572.12793	9.7
602.70496	0.7
661.16748	1.1
705.15826	4.6
706.16351	1.2
723.17010	40.8
724.17340	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	723.174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25070	0.7
55.68019	0.7
57.03503	3.1
59.01439	3.4
61.98877	1.4
68.99879	0.8
69.03486	1.1
69.39822	8.2
70.55278	0.7
70.76642	0.8
71.01457	2.7
71.05192	0.7
72.99365	0.8
73.03012	0.7
73.63091	0.7
75.00928	1.8
81.03548	2.6
83.01388	6.8
85.03033	3.3
87.00973	1.2
89.02505	1.3
89.04036	1.9
93.03465	8.5
95.01466	2.2
95.05025	3.6
97.02958	7.0
99.04649	1.0
101.02497	1.0
102.01160	0.6
105.03542	1.7
108.02245	1.5
109.02965	29.8
111.04556	0.9
117.02835	0.7
117.03563	2.6
119.05112	2.9
121.02967	6.3
122.03842	2.0
123.04543	18.3
125.02460	25.5
126.02833	0.9
132.02283	0.9
133.02969	14.7
135.04527	3.5
137.02464	38.4
138.02972	0.9
139.04044	4.2
145.02969	4.9
146.03822	1.6
147.04695	0.8
148.01788	1.0
149.02466	8.7
150.03183	1.2
151.00471	1.3
151.04027	10.9
151.05037	0.8
157.06674	2.0
159.04558	6.2
160.05334	1.8
161.02463	55.5
161.06104	9.0
161.09869	1.0
162.02962	4.0
163.00380	4.0
163.04091	2.4
164.01160	5.7
165.01961	6.9
167.03569	2.6
173.04623	2.5
173.06114	1.0
174.03394	0.9
175.03976	6.2
175.07678	1.8
176.01225	3.2
177.01944	55.8
178.02455	2.2
179.03511	8.4
179.10912	1.2
185.06116	2.8
187.04056	7.4
188.04820	5.5
189.01941	5.2
190.02608	0.8
191.05661	3.4
195.04907	1.0
197.06097	1.2
199.07726	1.9
201.01979	1.4
201.05611	2.8
202.06432	3.3
203.03587	3.9
203.07155	18.2
204.07442	1.1
205.01494	3.8
205.05077	12.5
211.04037	1.5
212.04797	1.6
213.05614	2.1
215.03566	3.1
215.07185	1.2
216.00719	3.1
217.01459	3.6
217.05038	1.3
221.08243	2.6
225.05634	1.4
227.03583	3.5
227.07135	6.8
228.07578	1.0
229.01472	3.4
229.05038	13.8
230.05789	1.0
231.03090	1.6
241.05209	4.2
243.06633	4.4
245.04491	1.6
245.05524	1.2
245.08170	21.7
246.08466	2.1
247.06203	2.3
249.06001	1.4
253.05063	1.6
255.02971	1.6
255.06659	3.8
256.03763	2.5
257.04645	1.6
267.06726	1.4
269.04541	4.7
271.06104	66.3
272.06442	5.3
279.03091	1.6
279.06580	3.1
281.04486	5.1
282.05011	2.0
283.02759	1.6
283.06097	5.1
289.07175	100.0
290.07489	8.5
291.06607	0.9
293.04669	1.2
295.06055	1.4
297.04126	1.1
297.07581	1.3
299.05661	2.7
307.02606	1.2
308.03049	1.3
309.03796	1.2
310.04739	1.9
311.05603	5.6
321.03967	5.0
321.07639	5.6
322.04385	0.9
323.05576	7.1
329.06625	2.1
339.05020	13.0
340.05481	1.4
341.06494	1.1
349.07065	1.2
363.08914	1.0
375.08636	1.4
391.08179	1.7
407.07343	1.4
409.09225	2.0
415.08136	3.8
419.07721	18.8
420.07773	2.2
433.09265	32.5
434.09671	4.8
435.10175	1.1
451.10327	15.5
452.10272	2.4
459.07242	5.6
475.10013	1.4
527.13104	2.0
553.11310	23.2
554.12164	4.0
571.12494	41.8
572.12921	9.4
661.17267	1.0
705.15704	3.6
723.16681	37.5
724.17316	12.4
727.85925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91166	0.3
54.85545	0.2
57.03450	0.6
59.01377	31.5
61.98829	23.9
71.01381	3.3
73.02958	0.5
75.00866	0.3
78.95908	0.5
83.01445	0.3
83.05040	0.6
85.02973	0.9
87.00871	0.4
87.04539	0.6
88.98820	0.8
89.02475	0.8
93.03468	0.3
97.02947	0.3
99.00921	0.5
101.02465	1.6
109.02980	0.3
109.06590	0.4
113.02477	1.7
116.92886	0.6
119.03510	0.9
119.05045	0.9
121.02958	0.5
123.04555	0.5
125.02452	1.4
129.36423	0.3
135.04541	0.3
137.02493	1.1
145.03003	0.5
151.00415	1.0
151.04030	0.5
151.81282	0.3
155.10838	0.6
161.02460	0.5
161.04590	0.9
163.04066	0.4
163.11308	0.5
165.01921	0.4
171.10239	1.5
175.03755	0.3
181.12343	0.6
191.05676	0.6
197.11890	1.1
199.13345	0.4
207.10289	1.1
208.32597	0.3
209.11816	6.8
210.12187	0.5
215.12909	0.8
225.11342	1.6
227.12904	1.1
253.09421	0.5
256.03406	0.3
271.06177	0.8
283.10156	0.3
285.03796	0.4
287.05652	0.8
289.07217	0.7
303.05045	0.3
307.24332	0.9
373.25839	0.3
395.23755	0.3
405.28009	0.5
406.28748	0.3
414.92126	0.3
423.28738	0.4
451.28329	2.3
452.28677	0.5
453.30151	0.4
465.30121	0.4
469.29590	41.7
470.29837	8.1
470.36530	0.5
481.29663	2.6
482.29849	0.7
493.29449	1.0
499.30627	100.0
500.30963	21.5
511.30493	3.2
512.30920	0.8
513.32385	0.3
541.31952	0.4
613.34235	0.5
631.35193	3.6
632.35443	1.2
643.34802	0.6
644.34631	0.3
661.35913	0.9
671.32837	0.4
689.33978	2.0
690.34583	0.6
721.18103	0.9
721.36719	1.9
722.38354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35877	0.5
53.00315	0.5
55.01880	1.1
55.50861	0.5
57.03433	0.9
59.01380	8.5
61.98831	19.0
62.25631	0.5
69.03474	0.5
69.53812	0.5
71.01385	82.7
71.05022	1.3
72.01710	1.0
73.02945	2.0
80.02686	2.0
81.03482	2.4
83.01373	1.2
83.05029	6.1
84.02177	0.9
85.02965	3.0
87.00890	1.9
88.98788	0.9
89.02453	3.4
93.03485	1.1
95.01401	0.7
95.05043	1.7
96.95991	0.5
97.02966	3.7
97.06603	0.8
98.19837	0.8
99.00873	2.6
101.02460	6.3
107.05085	0.7
107.21014	0.5
107.49259	0.5
109.02982	0.5
109.05903	1.1
109.06604	14.4
110.03719	0.8
111.00849	0.6
113.02466	2.9
116.19295	0.5
119.03513	0.8
121.06599	1.4
123.04498	0.5
125.02462	1.6
125.06110	0.6
125.09759	2.5
127.11315	1.2
135.08179	3.3
136.05328	1.2
137.02409	0.5
137.09737	0.7
139.07626	0.6
142.02702	0.8
147.11781	0.5
149.09706	0.6
149.28564	0.5
155.10828	0.6
161.04594	2.3
161.09761	1.1
163.11299	13.2
164.11578	1.0
165.12848	2.3
169.12491	0.5
171.10283	19.2
172.10594	1.3
179.05690	0.8
181.12373	5.1
185.11855	2.0
189.09212	1.3
191.05592	0.6
191.10739	1.0
197.11858	0.9
199.09697	1.4
199.13385	2.3
201.11314	8.1
202.11929	0.5
207.10268	35.2
208.10599	2.3
209.11832	100.0
210.12181	7.1
215.12933	1.2
225.11310	30.3
226.11739	1.5
227.12883	11.8
228.13257	1.0
235.08273	3.0
243.12372	3.3
245.11613	0.6
247.13431	0.9
251.12852	0.9
253.09277	10.6
254.09891	0.6
258.95276	0.6
265.14294	0.8
399.21692	2.1
417.22684	3.2
419.99796	0.6
423.26260	0.7
443.19113	1.8
461.20258	6.8
462.20502	0.8
479.21661	0.7
499.30511	0.8
635.30896	2.1
653.31812	2.4
671.32642	4.9
672.32574	2.7
689.33856	2.6
721.36810	5.2
722.36682	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70430	0.4
53.00331	0.4
55.01867	0.6
57.03440	1.0
58.00598	0.6
59.01092	0.6
59.01375	8.3
61.98829	10.3
63.18539	0.4
68.99810	0.5
69.03439	0.5
71.01380	74.4
71.05040	0.6
72.01708	1.4
72.05705	0.4
72.99310	0.7
73.02950	3.0
75.00880	1.0
78.95919	0.6
78.97904	0.4
80.02685	1.8
81.03452	2.6
83.01382	1.1
83.05028	6.9
84.02164	1.6
85.02964	2.0
87.00885	2.0
88.98803	0.6
89.02451	3.2
90.37141	0.4
93.03453	0.7
95.01398	0.8
95.05038	1.6
97.02950	4.2
97.06600	1.4
99.00889	3.4
101.02450	5.8
107.05007	0.6
109.02941	0.5
109.06602	12.5
110.03729	1.3
110.06928	0.8
111.00875	0.8
111.04536	0.5
113.02492	3.0
119.03532	1.2
119.05066	0.6
121.06612	1.0
123.04510	0.4
123.08147	0.5
125.02456	1.0
125.06086	0.5
125.09721	2.7
127.11298	1.7
132.70326	0.4
133.06638	0.6
135.08180	3.3
136.05322	0.5
137.09749	0.6
139.07733	0.5
141.01900	0.4
142.02750	0.7
143.03503	0.6
145.05038	1.1
145.10237	0.6
151.00435	0.6
151.11292	0.4
155.10786	0.9
161.04549	1.8
161.05931	0.5
161.09718	0.9
163.11302	12.7
164.11642	0.9
165.12823	2.7
171.10272	20.0
172.10590	1.2
179.05634	0.9
179.10742	0.6
181.12360	5.5
185.11841	2.6
187.09729	0.9
189.09172	0.8
191.10789	0.8
197.11861	1.1
199.09756	0.8
199.13383	2.6
201.11313	9.4
202.11705	1.1
207.10263	33.2
208.10616	2.6
209.11823	100.0
210.12148	9.0
211.13295	0.7
215.12894	1.1
221.11841	0.9
225.11302	32.2
226.11705	2.1
227.12871	13.6
228.13152	1.4
231.10284	0.5
231.15994	0.6
235.08199	4.5
243.12321	3.5
249.11343	0.8
253.06622	0.7
253.09256	11.2
254.09563	0.5
271.06003	0.8
295.10376	0.6
299.14871	0.5
389.22620	0.5
399.21603	1.6
402.54843	0.5
409.40494	0.4
417.22552	2.0
418.23022	0.5
443.19107	1.0
461.20374	6.3
462.20212	0.8
479.21240	1.2
541.76459	0.5
635.31342	2.8
653.31775	2.4
654.31946	1.1
661.35394	0.6
671.32880	3.9
672.33582	2.7
673.33063	0.6
689.33789	3.2
690.34143	0.9
714.15302	0.5
721.36810	6.3
722.36761	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	721.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
57.03441	2.8
59.01378	10.5
60.99287	0.8
61.98828	100.0
62.98521	0.8
63.02413	1.4
63.12986	0.6
63.99257	1.3
65.00333	2.4
69.03451	1.6
71.01386	10.5
71.05029	2.9
71.64136	1.6
72.99305	1.0
73.02945	2.4
75.00901	0.8
78.27900	0.6
78.95904	1.0
80.02688	1.1
81.03474	2.2
83.01394	3.2
83.05024	4.8
85.02956	3.4
87.00884	2.9
87.21103	0.6
88.98826	3.8
89.02441	4.4
93.03461	4.8
95.05046	2.0
96.96010	2.0
97.02921	3.3
97.06604	2.0
97.37660	0.6
99.00890	16.7
101.02451	5.2
107.01412	3.5
109.02955	1.7
109.06606	2.1
111.04535	1.2
113.02443	4.4
116.92870	2.5
117.03497	1.0
117.92956	0.7
119.03609	1.6
119.05042	10.0
121.02989	2.9
123.00955	0.7
123.04557	2.7
123.08197	1.4
125.02461	8.9
125.09718	6.9
130.55693	0.6
133.02963	1.7
135.04555	3.8
135.08165	1.4
137.02470	4.3
137.09718	1.4
142.02785	0.9
145.03004	3.4
145.04977	0.7
149.02457	1.0
150.03281	1.1
151.00374	15.1
151.04021	3.0
152.00792	0.9
153.01996	0.9
155.10799	4.5
159.03099	0.7
159.04501	1.1
161.02483	3.2
161.04568	1.6
161.06108	0.6
161.09735	0.8
162.02983	1.0
163.04051	2.3
163.10023	1.2
163.11302	14.3
164.01120	0.8
165.01942	2.5
165.12881	1.3
166.13177	0.7
167.03539	0.9
169.01445	1.1
169.12358	1.2
171.10289	9.7
173.04602	1.7
177.01929	3.0
178.99840	0.8
179.03418	0.8
179.10812	0.9
181.12346	18.2
181.13928	1.0
182.12675	1.5
185.06012	0.7
191.05688	3.6
197.11884	3.0
199.09787	1.9
199.13402	9.8
200.13759	1.0
201.11378	1.5
207.10265	25.0
208.10654	1.5
209.11833	51.1
210.12105	4.1
223.65985	0.7
225.11316	39.2
226.11676	2.8
227.07147	0.8
227.12823	4.7
243.12344	21.8
244.12715	1.3
253.09259	2.4
257.13196	0.7
259.06082	2.0
271.06100	25.3
272.06406	3.4
285.04092	1.6
287.05505	6.3
288.06000	1.9
289.07196	1.3
295.05878	0.8
301.06900	0.8
373.26205	0.9
378.61014	0.7
388.02280	1.1
414.03516	1.0
425.06720	1.5
445.20959	1.6
451.04443	0.7
453.06079	1.9
454.06891	1.2
455.07703	0.7
459.07071	6.6
460.07800	3.1
461.20282	2.5
469.09988	1.5
479.21268	4.6
483.06927	1.1
486.09225	2.3
495.10944	0.8
497.08649	1.4
499.30316	4.6
501.08176	5.1
502.08865	4.5
503.09546	0.8
525.08197	1.2
526.08661	0.9
541.11206	1.5
559.12756	1.0
564.20227	0.7
644.14203	0.7
649.15662	1.0
658.25348	1.5
659.36664	1.1
661.33746	0.8
671.32721	2.7
683.36823	1.1
685.38898	1.3
689.34082	99.8
690.34375	24.2
690.46423	1.3
703.16504	1.1
721.17841	59.2
721.35858	9.0
722.18176	21.6
722.36096	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	721.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
60.28807	0.1
62.25432	0.2
66.74210	0.2
68.99847	0.2
69.03436	0.3
70.22693	0.7
71.01382	1.6
72.88598	0.2
72.99264	0.2
73.02955	0.5
81.03451	0.4
81.19393	0.2
83.01413	0.3
85.02953	1.9
85.08282	0.2
89.02450	0.3
93.03465	0.7
95.01390	1.3
99.00863	0.2
101.02474	0.8
107.05054	0.2
108.02184	50.0
109.02988	16.4
110.03302	0.6
110.73018	0.2
113.02463	1.3
121.02941	1.0
123.00874	0.7
123.04514	0.7
133.02956	0.5
135.00887	0.3
135.04546	0.2
137.02451	0.6
139.04034	0.3
145.14047	0.2
151.04004	1.2
152.01169	47.7
153.01959	16.8
153.05476	0.3
154.02303	0.9
163.04007	1.2
165.01909	1.5
177.01851	0.2
181.05084	0.4
191.05479	0.4
195.03015	0.3
207.03117	0.2
225.04060	0.3
295.10397	0.4
309.11871	0.4
315.07199	100.0
316.07562	8.4
345.08673	0.2
362.03177	0.2
628.58917	0.2
716.68793	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01375	15.3
61.98830	76.9
63.99258	1.4
69.03454	2.6
71.01379	29.3
71.05017	1.3
71.60929	1.0
72.01736	1.5
73.02935	2.9
77.63301	1.0
78.95916	6.6
80.02673	1.1
81.03470	2.7
83.01396	1.7
83.05033	4.1
85.02946	2.9
85.06622	1.3
87.00878	2.9
88.98811	3.1
89.02449	6.4
93.03483	1.4
97.02947	7.6
99.00871	3.4
101.02460	10.2
107.05061	1.6
109.06602	35.6
109.07359	1.8
110.06892	1.4
113.02467	4.3
119.03547	2.1
119.44848	0.9
121.06623	2.2
123.04534	1.8
125.02485	4.0
125.09715	1.7
135.08177	3.7
136.05290	1.5
137.02444	1.1
142.02740	2.3
143.03450	1.2
143.84323	1.1
145.05183	1.1
152.99568	3.0
155.10622	1.1
161.04570	3.3
163.11295	18.3
164.11632	1.4
167.10822	1.7
171.10291	5.0
179.05580	2.1
179.10828	1.5
179.14401	3.7
181.12352	6.4
185.11829	4.8
195.13905	7.8
197.11893	1.8
199.09758	4.1
201.11259	2.3
205.12320	8.8
207.10262	100.0
208.10591	7.3
209.11847	19.6
210.12090	1.6
211.13379	1.6
213.17424	1.1
223.13387	83.9
224.13689	6.3
225.11310	59.2
226.11687	4.4
227.12846	2.3
235.08188	5.4
238.26244	1.2
243.12415	2.5
253.09290	19.3
297.44861	1.3
299.15021	2.0
351.23438	1.5
369.24646	1.4
385.23923	3.1
395.22260	5.9
403.25214	2.6
413.23303	12.1
414.23621	1.8
431.24399	4.2
443.19150	4.3
455.31735	2.7
459.22467	2.0
461.20251	26.7
462.20450	3.3
502.09488	1.3
631.30908	1.6
649.32275	9.9
650.32574	4.3
650.44153	1.1
667.33246	20.5
668.34247	10.6
669.34467	1.8
721.33453	1.4
722.35339	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1796
Annotation	5-O-beta-D-Glucosylluteoliflavan-(4->8)-eriodictyol
Peak:m/z	Relative Intensity
57.03416	0.6
57.28960	0.4
59.01372	1.7
60.81218	0.3
61.98830	27.4
63.99250	2.1
69.29664	0.5
69.30006	4.4
71.01367	1.1
71.45278	0.4
71.89185	0.4
75.00858	0.5
83.01406	0.6
85.02963	1.1
87.00882	0.6
88.98788	0.5
89.02455	0.7
93.03466	1.5
96.95991	0.5
101.02444	0.7
109.02930	0.7
113.02476	0.6
119.05005	0.6
121.02905	0.5
123.04546	0.8
125.02465	1.7
137.02472	2.8
145.02943	0.9
151.00371	0.7
151.03944	0.6
165.02007	0.5
165.56682	0.4
191.05566	0.6
209.11768	0.9
255.02815	0.5
271.06094	1.2
285.04041	0.5
287.05524	0.4
289.07040	0.6
385.03433	0.5
386.04361	1.5
387.01181	1.0
388.02145	1.1
399.04941	2.7
400.05240	0.4
413.06699	1.2
414.03735	16.7
415.03906	3.3
424.05789	0.5
425.06549	1.4
426.07236	1.0
427.04431	1.3
428.04956	0.5
429.06363	0.9
430.03244	1.6
438.07513	0.5
439.03983	0.7
441.05899	1.4
442.07321	2.6
443.07758	0.7
444.04514	0.7
453.06125	1.7
454.06897	1.7
455.07471	1.4
457.05493	0.7
459.07169	11.9
460.07721	4.6
467.07672	0.9
468.08224	0.8
469.04874	0.8
469.09488	1.3
470.05386	0.5
470.10614	0.6
471.06818	3.2
472.07892	0.7
473.08575	0.5
481.09409	0.5
483.06982	0.9
484.07837	0.5
485.08643	1.4
486.09561	38.5
487.10159	9.4
488.10922	0.6
495.10678	0.9
497.08978	2.2
498.09146	0.8
499.10071	0.6
501.08191	8.1
502.09015	5.9
503.09073	0.8
512.10620	0.7
513.12036	1.1
514.09277	1.2
515.09540	1.4
525.08313	1.6
526.09106	0.8
530.11993	0.8
533.76929	0.5
540.10364	0.5
541.11371	3.2
558.11945	0.7
559.12366	2.0
595.12433	0.6
600.56323	0.4
622.13800	0.9
649.15692	26.2
650.16211	5.2
657.34210	0.6
677.15991	0.6
693.18695	1.1
703.16449	1.5
703.30872	0.4
721.17853	100.0
722.18237	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1794
Annotation	5-O-beta-D-Glucosylluteoliflavan-(4->8)-eriodictyol
Peak:m/z	Relative Intensity
52.12387	0.3
57.03451	1.0
57.37556	0.3
59.01371	2.3
60.99308	0.4
61.98829	56.6
62.98523	0.4
63.99267	0.3
65.00345	0.3
67.96505	0.3
69.95609	0.7
69.96023	0.7
71.01383	3.4
71.05024	0.5
72.99324	0.4
73.02961	0.4
75.00894	0.7
80.02679	0.3
80.96532	0.3
81.03455	0.6
83.01402	0.7
83.05038	0.7
84.88550	0.3
85.02957	0.9
87.00870	0.6
88.98812	1.8
89.02475	1.0
93.03458	1.2
95.01395	0.3
95.05046	0.5
96.88112	0.3
96.96021	0.3
97.02972	0.6
97.06588	0.3
99.00874	2.3
101.02454	1.7
107.01402	0.7
109.02988	0.7
109.06606	0.6
113.02440	0.4
116.92860	0.5
119.03547	0.4
119.05027	1.5
121.02995	0.4
123.04549	0.8
124.01672	0.3
125.02464	3.4
125.09757	0.9
126.02804	0.5
133.03000	0.4
135.04543	0.7
135.08160	0.3
137.02483	1.2
137.09703	0.3
145.02968	0.7
149.02483	0.4
151.00362	2.8
151.04019	0.4
152.00826	0.3
153.02029	0.6
155.10773	1.8
161.02495	0.6
161.04594	0.5
163.04030	0.6
163.11302	2.1
164.01228	0.3
165.02007	0.4
167.03506	0.3
171.10263	3.5
175.04037	0.4
177.01871	0.5
179.10721	0.4
181.12352	2.7
187.04192	0.3
191.03638	0.3
191.05615	0.9
197.11790	0.7
198.12314	0.3
199.09698	0.7
199.13431	1.0
201.11375	0.3
205.04890	0.4
207.07008	0.3
207.10289	3.7
209.11829	10.5
210.12163	1.1
215.07182	0.4
225.11307	6.3
226.11728	0.7
227.12930	1.0
243.12349	2.2
245.04558	0.3
253.09268	0.9
257.12866	0.6
258.13284	0.5
259.06116	0.8
260.06433	0.9
269.04193	0.3
270.04718	0.3
271.03186	0.5
271.06113	3.3
272.06631	0.4
285.04272	0.4
287.05594	2.9
288.05933	2.1
289.07104	0.8
299.01907	0.3
300.02850	0.3
301.07059	0.5
301.11957	0.8
302.12247	0.9
303.05109	0.7
386.04083	0.4
387.01398	0.9
387.05484	0.4
388.02142	1.2
395.05750	0.5
397.07507	0.4
399.04721	1.3
400.05768	0.5
407.19659	0.3
409.07309	0.6
410.08075	0.6
411.04730	0.5
412.05801	0.7
413.06610	0.8
414.03549	1.0
415.04562	1.4
416.05185	0.8
423.04950	0.6
424.06046	0.4
425.06570	1.8
426.07474	1.1
427.03979	0.6
427.08850	0.6
427.14478	0.3
428.04938	0.6
429.06436	0.6
430.02765	2.3
431.03561	0.3
437.06412	0.6
438.07440	0.6
439.03696	0.4
439.08795	0.7
440.04941	0.5
441.05609	1.7
442.06903	1.4
444.04742	0.4
445.05646	0.4
452.09558	0.4
453.05414	2.6
454.06662	1.7
455.07724	1.9
456.08554	0.6
457.09784	0.6
458.06366	1.3
459.07199	14.4
460.07782	5.6
461.08145	0.5
461.20264	0.6
467.07730	0.7
468.08420	0.4
469.04849	1.0
469.09329	2.1
470.10001	1.1
471.06528	1.5
472.07578	0.4
473.08887	0.7
479.21094	0.5
481.09235	0.9
482.10361	0.4
483.07236	1.5
484.07874	0.5
485.08688	1.0
486.09686	2.7
487.07162	0.9
495.10614	0.7
497.08374	1.8
498.09424	1.3
499.10355	1.0
499.30307	0.9
501.08240	7.5
502.08987	6.3
503.09808	1.2
507.07211	0.3
512.11292	0.3
513.11835	1.4
514.12360	0.3
515.09839	0.8
522.09332	0.3
523.10083	0.3
525.08331	2.3
526.08850	1.2
540.10675	1.1
541.11340	3.4
542.11859	0.5
558.11749	0.4
559.12402	2.3
560.12689	0.4
621.12189	0.7
622.13464	0.8
649.15601	1.7
658.22290	0.5
659.24054	0.3
665.15009	0.4
671.32813	0.4
688.14075	0.3
689.21985	0.7
689.34003	13.8
690.34393	2.9
703.16669	2.6
703.28033	0.4
704.17328	0.3
721.17871	100.0
722.18188	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.4
59.01382	10.0
60.99290	3.8
61.30305	1.2
61.98830	62.2
63.99248	2.4
65.83498	1.3
69.36131	2.6
69.36543	9.9
71.01382	7.0
72.99301	1.6
73.02947	1.9
75.00849	1.6
78.95902	1.2
81.03452	1.3
83.01376	4.1
83.05042	1.8
85.02950	4.3
87.00845	1.3
88.98814	16.5
89.02446	3.4
93.03457	16.1
95.05000	1.8
98.20060	4.9
101.02473	3.1
108.02148	1.9
108.87408	1.2
109.02966	20.2
113.02441	2.1
117.03445	2.6
119.05066	7.3
121.02979	9.3
122.03744	2.3
123.04524	12.8
124.01674	2.3
125.02459	79.0
126.02747	1.7
128.03377	1.2
132.02225	1.5
133.02942	3.7
135.00822	2.5
135.04489	2.2
137.02411	7.3
137.09721	1.3
139.04008	3.2
143.04836	1.1
145.02979	9.1
147.00929	3.1
147.04462	3.3
149.02458	8.0
150.03142	1.2
151.00401	3.0
151.04025	9.3
151.62503	1.2
153.01926	1.9
155.10765	1.5
159.04538	2.7
160.01674	2.4
161.02472	15.3
161.04475	1.7
162.99184	1.4
163.00401	17.7
163.03937	3.6
164.00996	3.0
165.01930	3.1
171.04535	2.3
171.10266	5.7
173.02452	2.3
173.04541	1.5
173.05965	1.6
174.03174	4.2
175.04025	8.6
176.01082	3.8
176.04555	1.2
177.01927	22.7
177.04208	1.3
183.04332	1.9
187.03983	3.5
188.04761	2.2
189.01930	13.1
189.05502	2.5
190.02652	2.9
191.03487	2.0
191.05521	2.7
197.06041	1.6
199.03989	4.4
201.01947	2.8
201.05670	1.2
203.03415	2.9
207.10310	1.4
209.11877	11.1
211.04097	2.0
213.05478	4.3
214.06087	1.6
215.03462	3.3
216.00560	4.9
217.01482	9.3
217.05019	4.2
225.05589	2.2
225.11261	4.0
227.03436	3.2
227.12869	1.5
229.01392	2.6
229.05016	4.2
231.02968	3.5
239.03482	1.9
240.04179	2.0
241.05037	8.7
243.02911	3.7
245.04536	1.5
253.05095	2.8
254.05827	1.7
255.02890	3.1
255.06514	2.3
257.04343	3.6
264.04330	1.6
265.05151	2.4
267.02991	1.8
267.06653	2.1
268.03683	2.9
269.04462	5.1
271.06064	12.4
272.03180	2.1
272.06287	1.7
277.05154	2.6
279.06723	1.5
280.03638	3.1
281.04483	9.4
282.05005	2.0
283.03104	1.9
283.06036	9.0
285.04041	34.7
286.04306	3.0
287.05579	5.3
289.07324	2.2
293.04379	2.9
294.05255	2.5
295.02643	2.3
295.06070	3.6
297.04041	2.2
297.07556	2.2
305.04504	3.6
306.05130	1.7
307.06155	3.4
308.03238	4.9
309.04037	5.8
310.04736	4.8
311.05569	5.0
319.06122	2.0
321.03839	3.3
322.04797	3.1
323.05460	4.7
333.03943	2.7
333.07739	3.1
334.08575	1.8
335.05524	2.2
337.03137	1.6
339.05118	2.4
341.06671	10.3
345.07489	1.8
349.03632	4.3
350.04459	2.2
351.04935	3.5
353.06836	2.5
361.07288	2.6
362.07956	1.9
365.06818	2.1
373.06976	2.5
374.07947	1.6
379.04321	1.8
381.06354	2.1
382.03024	1.7
383.09238	1.6
387.04553	1.5
389.06534	3.9
391.08557	1.5
399.08862	2.0
401.06360	1.8
403.08325	3.0
404.09091	1.7
413.06509	3.4
427.08289	1.6
429.05765	1.7
431.07584	4.1
433.09509	11.0
435.10544	1.8
440.05292	2.7
449.08609	1.5
459.06857	6.6
461.09042	2.1
467.03650	1.3
471.07187	1.7
473.09061	7.7
487.09891	1.4
499.26813	5.9
500.27161	1.6
501.08252	9.9
502.08386	1.6
511.10254	1.5
521.08832	1.5
553.11322	47.3
554.12006	9.8
569.10858	5.6
581.10529	4.2
583.11749	1.7
591.09308	9.0
592.09741	1.3
593.11035	8.2
595.12439	100.0
596.12762	21.3
598.11072	15.7
599.12024	6.2
627.11127	1.8
659.15363	1.6
677.17200	4.0
685.13660	32.3
685.30676	2.5
686.13892	7.2
703.14099	7.5
703.32098	3.7
721.15765	70.5
722.16138	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	720.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23966	0.1
55.20369	0.1
57.03442	0.1
59.01377	1.1
61.98830	100.0
62.98544	0.1
62.99265	0.1
65.00325	0.1
68.87730	0.1
71.01395	0.8
71.65240	0.2
71.65652	0.1
73.02948	0.1
75.00856	0.1
78.95918	0.1
83.05050	0.2
85.02975	0.2
86.05961	0.1
87.00891	0.1
88.98826	0.5
89.02473	0.3
93.03491	0.2
96.96011	0.1
99.04538	0.1
101.02460	0.3
107.01392	0.1
109.02982	0.2
113.02483	0.3
116.92877	0.3
119.03477	0.1
119.05052	0.2
123.04549	0.4
125.02460	0.7
135.04555	0.2
137.02480	0.4
145.02974	0.3
145.27058	0.1
151.00388	0.7
151.04042	0.1
155.10825	0.3
161.02461	0.2
161.04630	0.1
163.04050	0.2
165.01944	0.1
165.12924	0.1
167.03542	0.4
171.10280	0.3
177.02002	0.1
178.60587	0.1
179.10829	0.1
185.11839	0.1
191.03604	0.1
191.05611	0.1
197.11848	1.8
198.12137	0.7
201.11281	0.1
207.10201	0.1
209.11842	1.8
209.13770	0.1
210.12175	0.7
215.07204	0.1
225.11378	0.2
227.12831	0.2
235.08119	0.1
241.10767	0.1
271.06140	0.5
272.06641	0.1
285.03851	0.1
287.05640	0.3
289.07086	0.2
309.04105	0.1
319.52158	0.1
350.01691	0.1
365.10312	0.2
370.41498	0.1
383.11575	0.2
435.56763	0.1
495.36993	0.1
499.30670	3.1
688.32849	2.6
689.33398	0.5
720.34827	1.0
721.36346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31690	0.5
57.03439	3.1
59.01383	3.4
61.98829	33.9
62.52454	0.6
70.19759	0.5
70.31154	1.2
70.31546	1.0
71.01379	2.9
72.99313	1.1
73.02964	0.9
75.00915	1.3
78.95929	0.7
81.03471	1.7
83.01393	3.2
83.05074	0.7
85.02962	1.4
87.00901	1.4
88.98848	2.9
89.02472	1.3
93.03466	6.5
93.03935	0.7
95.05045	1.7
96.96077	0.6
97.02990	2.5
101.02477	1.9
108.02206	1.1
109.02960	16.9
109.03696	0.8
111.00951	0.7
113.02493	2.2
116.92938	0.9
117.03506	1.3
119.05020	2.8
121.02983	6.6
122.03734	0.8
123.04556	6.2
124.01627	0.6
124.04892	0.6
125.02464	18.8
126.02785	0.9
133.02991	1.8
135.04535	1.8
137.02463	14.4
138.02872	0.8
139.04051	1.9
143.05093	1.0
145.02969	6.3
146.03839	0.8
147.04562	1.4
148.01711	0.6
149.02446	4.0
150.03197	1.1
151.00328	3.2
151.04044	4.9
155.10863	1.3
156.11186	0.6
158.03748	0.7
159.04556	2.4
160.01736	1.0
161.02480	7.3
161.04796	0.5
161.06042	3.0
162.03333	0.9
163.00421	1.8
163.04027	2.1
163.11356	0.9
164.01181	3.2
165.01970	5.6
167.03572	1.2
171.04602	1.2
171.10303	5.2
173.02422	1.2
173.06030	0.9
174.03294	0.8
175.04051	3.9
175.07660	0.9
176.01157	3.3
177.01955	11.8
177.05492	0.7
178.02107	0.6
179.03575	2.5
185.06119	1.4
187.03990	2.9
188.04858	1.6
189.01967	2.4
189.05782	0.8
191.05705	1.0
195.04628	0.8
197.06044	0.8
197.11835	0.6
199.04016	1.8
199.07637	1.0
201.01924	2.1
201.05585	1.5
202.06438	1.1
202.99969	1.0
203.03542	1.3
203.07137	6.2
204.00749	0.6
205.05052	4.4
207.10220	1.2
209.06158	0.7
209.11850	9.0
211.04149	2.1
211.07681	0.6
212.04726	0.9
213.05600	0.9
215.03520	1.2
216.00648	3.0
217.01472	0.9
217.05070	1.5
221.08252	1.3
223.04126	0.6
223.07512	0.7
224.04678	0.7
225.05373	1.3
225.11339	2.7
227.03598	1.0
227.07121	2.5
227.12904	1.4
229.01501	1.2
229.05080	6.6
237.05650	1.4
239.03531	1.0
240.04390	1.2
241.05109	2.0
243.02974	1.6
243.06599	1.7
245.04517	0.7
245.08174	7.8
247.06071	0.9
249.05646	1.0
251.03452	1.5
253.05084	2.1
253.09196	1.2
254.05469	0.8
255.02983	0.8
255.06644	0.9
256.03772	1.6
257.04550	0.7
265.05115	2.3
267.02899	2.6
268.03690	0.9
269.04575	2.1
270.05179	0.7
271.03006	0.8
271.06110	22.9
272.06198	1.2
279.02985	1.0
280.03577	0.7
281.04489	5.3
282.05270	2.4
283.06122	1.2
284.03552	0.9
284.06635	0.7
285.04019	2.1
287.05453	3.4
289.07153	32.9
290.07465	2.8
293.04544	3.0
294.05087	0.7
295.02805	1.0
295.06213	3.2
297.04272	1.3
307.02591	0.8
308.03320	1.0
309.03992	7.6
310.04816	6.4
311.05341	3.3
317.08279	1.3
319.06210	0.8
321.04037	2.0
323.05609	3.1
327.05240	2.8
331.06287	0.8
333.07715	2.1
335.05664	1.3
337.03619	8.2
337.07428	1.0
338.04105	1.1
343.09552	0.7
345.07721	1.0
347.05542	1.0
349.07324	0.7
351.04865	0.7
357.07230	0.7
361.07336	2.2
371.05365	1.1
385.07111	1.1
387.08841	1.7
389.06644	6.0
403.08615	3.3
404.08801	0.8
409.09814	0.8
411.08914	5.7
413.06714	3.1
415.08411	0.9
429.09854	1.0
431.07724	100.0
432.08051	14.1
436.08591	0.9
437.08731	1.6
439.04648	2.0
440.05429	3.2
441.05872	0.7
447.06863	1.5
449.08792	9.4
450.09256	1.0
453.09894	5.0
455.07608	1.9
459.07465	0.9
467.04227	1.1
497.08801	0.9
508.11658	0.7
539.09955	0.7
556.32611	0.7
569.10956	8.9
570.11206	1.6
591.09424	6.8
592.09613	1.7
593.10724	1.0
598.11182	12.6
599.11835	4.9
617.14130	0.8
627.11914	1.4
649.39502	0.9
677.17456	0.7
685.13635	15.6
686.14386	3.4
703.15094	3.0
703.32477	1.0
704.14624	0.7
721.15778	47.0
722.16101	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	720.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27238	0.1
56.71771	0.1
57.40197	0.1
59.01375	1.8
61.98829	100.0
62.76767	0.1
62.98527	0.2
68.82743	0.1
71.01389	0.3
78.95927	0.9
97.02968	0.1
101.02504	0.2
102.06644	0.2
109.06622	0.2
122.86623	0.1
125.02460	0.2
140.01227	0.2
152.99605	0.6
153.98807	0.2
163.11330	0.3
171.10284	0.6
197.11855	0.2
205.83704	0.2
207.10338	0.6
209.11716	0.2
211.13390	0.5
225.11310	1.8
253.09311	0.2
277.21750	1.1
279.23257	1.7
280.23770	0.3
289.07428	0.2
291.19693	0.5
461.20746	0.2
514.16803	0.3
602.22241	0.6
630.37952	0.3
641.78955	0.2
702.40540	0.5
720.22913	3.2
721.22308	1.2
721.42035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98536	0.2
69.41830	0.2
69.42229	0.5
78.95902	0.1
107.06069	0.1
116.36961	0.1
139.09134	0.1
209.11900	0.1
211.13455	0.1
221.88063	0.1
299.52972	0.1
320.75928	0.1
422.61301	0.1
448.57437	0.1
461.31714	0.1
515.95129	0.1
657.43292	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	719.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35025	0.4
55.01874	3.1
57.03450	3.4
58.00589	0.8
59.01096	1.0
59.01379	13.8
69.80344	1.5
69.80779	1.9
71.01382	42.7
72.01713	0.8
72.99303	1.9
73.02952	15.2
75.00877	0.9
81.03468	0.5
83.01398	7.3
85.02958	21.7
86.31689	0.5
87.00877	1.7
89.02470	2.4
93.03446	0.9
94.89754	0.5
95.01394	3.5
96.96025	1.2
97.02948	0.7
99.00890	6.2
101.02453	31.9
102.02773	0.8
107.05049	1.3
109.02940	0.5
113.01700	1.0
113.02462	16.2
119.03468	0.6
119.04999	0.9
123.04553	1.1
125.02471	5.2
129.01942	0.7
131.07141	0.7
135.04515	0.5
137.02451	1.5
139.00314	0.6
143.03490	1.2
151.04036	2.7
159.02986	3.9
161.02414	1.1
161.04568	18.3
161.32629	0.5
162.82025	0.5
191.05592	1.0
195.05162	0.5
205.03532	0.8
213.01703	0.5
243.02814	0.5
269.10281	13.8
270.10565	1.3
289.07242	0.6
293.12482	3.0
309.11804	0.6
313.09280	100.0
314.09613	11.3
315.09918	0.5
316.96329	0.6
341.06451	0.5
719.19568	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	719.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
57.03442	1.7
59.01377	7.4
61.98832	91.7
63.20779	0.4
63.99255	0.6
65.00330	0.5
69.03454	4.7
71.01389	6.3
71.05023	2.1
71.20674	0.9
72.99306	0.8
73.02958	1.6
75.00874	1.0
78.95895	0.5
80.02699	1.6
81.03470	1.6
83.01395	1.8
83.05032	5.3
84.02176	1.7
85.02946	2.1
87.00897	1.1
88.98817	2.8
89.02463	4.1
89.49889	0.4
93.03484	0.7
95.01393	1.1
95.05051	1.3
96.96009	0.6
97.02982	1.0
97.06612	0.8
99.00864	1.1
99.04508	0.4
101.02462	4.8
106.70674	0.5
107.01437	0.5
108.02190	0.5
113.02463	3.9
116.92883	0.7
119.03503	0.9
119.05047	1.3
121.03013	0.6
123.04572	0.7
123.08198	1.7
125.02473	1.8
125.09730	2.9
134.62914	0.4
135.04530	1.3
135.08214	1.2
137.02452	1.3
137.09731	1.2
137.89134	0.4
145.02972	1.0
151.00325	2.3
151.04045	0.9
151.11336	3.3
153.12885	2.0
155.10774	1.1
161.02489	0.9
161.04538	2.4
161.09724	4.3
163.04042	1.0
163.11304	4.8
165.12868	2.4
171.10298	0.5
175.03972	0.5
179.05589	0.8
179.10782	9.5
180.11095	0.8
181.12328	0.8
185.11903	0.6
191.10843	1.0
197.11842	83.8
198.12198	5.4
209.11836	67.4
210.12157	4.9
214.47244	0.5
223.09637	0.9
225.11443	0.9
227.12912	4.0
228.13266	0.5
241.10823	4.7
253.09233	3.3
261.27225	0.4
267.69931	0.4
271.06140	2.5
272.06549	0.5
287.05603	1.5
288.05859	0.7
459.18698	0.8
477.19644	2.0
572.90167	0.5
641.36108	0.4
687.32526	100.0
688.20959	0.7
688.32928	22.4
719.35059	33.4
720.35486	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	718.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82685	0.1
57.03441	0.2
59.01389	0.8
59.01638	0.1
61.98829	100.0
62.98544	0.3
70.83908	0.5
71.01394	0.8
75.00879	0.3
78.95930	0.2
79.45066	0.1
81.03463	0.1
83.01407	0.2
83.05064	0.3
85.02958	0.3
87.00894	0.3
88.98819	0.9
89.02466	0.4
93.03481	0.2
97.02953	0.2
101.02458	0.4
107.64704	0.1
109.06590	0.2
113.02509	0.3
116.92888	0.4
119.05065	0.3
121.02946	0.3
122.24369	0.1
123.04527	0.3
125.02481	0.6
128.68042	0.1
137.02504	0.4
145.02988	0.3
149.02449	0.1
151.00418	0.5
151.04016	0.3
153.01936	0.2
155.10796	0.3
161.02510	0.3
161.04514	0.2
163.04050	0.2
163.11281	0.3
165.12842	0.3
169.12354	0.2
171.10287	0.4
175.04260	0.1
177.09192	0.1
197.11920	0.4
205.05144	0.2
207.10307	0.4
209.11852	4.1
209.13747	0.2
210.12160	0.2
211.13416	0.3
225.11334	0.4
227.12941	0.4
253.09317	0.6
271.06079	1.1
272.06436	0.1
273.17026	1.9
273.19870	0.2
285.04080	1.0
287.05777	0.2
293.21127	0.2
303.05225	0.2
516.86572	0.2
644.32318	0.3
675.32800	0.2
687.33167	0.3
718.35773	0.3
719.34674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60662	0.5
59.01371	5.3
69.29214	6.0
71.01388	5.0
85.08085	0.6
87.00842	0.7
89.02455	7.2
96.96031	1.6
101.02443	2.5
113.02493	2.8
119.03497	2.6
127.19040	0.5
143.03563	1.0
161.04550	0.7
175.96251	0.6
179.05627	3.4
197.02327	0.6
215.03279	3.8
251.69339	0.5
341.10904	20.2
342.11188	1.4
377.08554	100.0
378.08868	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	718.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.2
59.01376	0.3
61.98833	100.0
67.36002	0.1
69.03486	0.2
71.01417	0.2
71.65178	0.3
75.00867	0.2
78.95910	0.8
81.75095	0.1
85.22255	0.1
120.47331	0.2
121.40086	0.1
130.26294	0.1
140.01309	0.2
152.99631	0.3
197.11916	0.5
201.11438	0.2
209.11807	1.2
211.13449	0.6
212.13947	0.2
217.43344	0.2
291.19650	0.3
293.21338	0.5
516.32599	0.2
700.39081	0.4
718.40045	0.9
719.40253	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98195	0.1
57.03450	0.2
59.01386	0.7
61.98828	100.0
62.98529	0.2
62.99254	0.2
65.00326	0.7
69.32657	1.2
69.76015	0.1
70.58536	0.1
71.01390	0.7
72.99344	0.1
73.02929	0.2
75.00869	0.3
78.95940	0.3
83.01398	0.4
83.05026	0.2
83.15544	0.1
85.02969	0.3
87.00938	0.2
88.98826	0.3
89.02477	0.2
93.03456	0.3
93.20782	0.1
98.07494	0.1
99.00919	0.1
101.02465	0.3
107.01392	1.0
109.02982	0.3
113.02465	0.3
116.92840	0.6
119.05070	0.3
121.03016	0.1
123.04536	0.2
125.02455	1.1
133.03015	0.2
135.04543	3.1
135.05508	0.2
137.02492	0.5
139.03960	0.1
145.03021	0.3
150.38783	0.1
151.00380	4.9
151.03989	0.2
152.00739	0.2
155.10847	0.4
161.02496	0.3
163.04056	0.2
165.01991	0.2
168.95146	0.1
169.01453	0.1
171.10292	0.2
175.00388	0.2
177.02036	0.2
187.04079	0.1
197.11877	0.3
199.09772	0.1
207.10310	0.2
209.11790	1.2
210.12178	0.2
211.13419	0.7
212.13737	0.2
225.11287	0.2
227.12961	0.3
255.03017	0.2
256.92645	0.1
269.14728	0.1
271.06265	0.8
283.02756	0.2
285.04337	0.1
287.05612	4.9
288.05978	0.6
289.06985	0.2
367.13943	0.3
375.27719	0.2
392.92200	0.1
462.46558	0.1
511.77719	0.1
611.22034	0.2
655.20282	1.5
656.21405	0.4
687.32751	0.3
718.39050	0.2
719.33362	0.5
719.44214	0.2
720.79614	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	718.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38742	0.1
59.01374	0.6
61.98833	100.0
62.98531	0.2
71.01389	0.4
73.14498	0.1
79.34571	0.1
85.02971	0.1
88.98844	0.1
89.02463	0.2
91.01923	0.4
93.03466	1.5
93.03995	0.1
94.03793	0.1
96.59533	0.1
101.02469	0.2
107.01406	0.1
109.03006	0.2
113.02487	0.1
117.03490	0.8
119.05036	0.6
119.27389	0.1
125.02504	0.5
132.08037	0.1
135.00974	0.2
135.04556	0.2
137.02475	2.5
138.02855	0.1
145.02969	2.4
146.03297	0.2
149.02391	0.1
151.00397	0.5
153.02008	0.2
155.10873	0.2
163.04005	0.5
168.00642	0.2
177.04034	0.2
178.99916	0.3
227.03560	0.1
255.03258	0.1
259.86423	0.1
271.06238	0.2
284.03415	0.1
285.03952	0.2
287.05667	0.5
357.26526	0.2
373.26132	0.4
571.63464	0.2
655.18805	0.9
655.33215	0.5
656.18854	0.2
656.33929	0.1
718.32269	0.7
719.33655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71053	0.1
59.01375	0.3
61.98829	100.0
62.98515	0.2
69.93582	0.5
71.01390	0.3
75.32686	0.1
78.95911	0.3
83.01433	0.1
83.05009	0.2
85.02973	0.2
87.00875	0.2
88.98829	0.4
89.02464	0.3
93.03511	0.1
96.96022	0.2
101.02477	0.1
113.02499	0.1
116.92867	0.2
121.02969	0.2
125.02477	0.3
137.02458	0.2
137.40408	0.1
138.87741	0.1
145.03027	0.1
151.00308	0.2
151.04030	0.2
152.99553	0.1
165.02037	0.1
169.12328	0.2
171.10312	0.2
172.05598	0.1
175.04022	0.1
190.12177	0.1
197.11975	0.1
207.10339	0.2
209.11833	1.1
210.12199	0.3
211.13460	0.6
212.13730	0.3
226.01808	0.1
227.12930	0.2
253.09286	0.2
271.06180	0.2
273.17044	0.1
287.05835	0.1
367.08655	0.1
369.72192	0.1
497.29257	0.2
606.25891	0.1
659.32819	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	718.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98829	100.0
62.98543	0.2
69.62242	0.6
71.01385	0.4
73.02934	0.1
75.00885	0.1
76.82970	0.1
85.02969	0.1
89.02438	0.1
93.03475	0.1
97.02968	0.2
101.02489	0.1
109.03017	0.1
117.03478	1.6
118.03851	0.1
119.05072	0.3
121.02989	0.5
125.02486	0.3
135.04509	0.1
137.02458	0.6
143.62146	0.1
145.02972	7.1
146.03349	0.4
151.00378	0.1
151.04137	0.1
153.01932	0.1
154.37244	0.1
161.02493	0.2
163.04037	0.4
165.01944	2.7
165.03255	0.2
168.06369	0.1
170.15396	0.1
185.02953	0.1
191.89694	0.1
227.03603	0.2
233.41844	0.1
255.03113	0.2
271.05948	0.1
282.14380	0.1
283.02524	0.2
284.03561	0.1
285.03952	0.1
287.05658	0.1
301.03455	1.1
368.11087	0.1
563.62494	0.2
595.16803	0.1
613.18414	0.3
655.18915	3.1
656.18774	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.1
59.01376	0.4
61.98829	100.0
62.98548	0.2
69.41042	0.6
69.41451	0.2
71.23601	0.1
72.44112	0.1
89.02509	0.1
93.03478	0.1
95.27798	0.1
101.02457	0.1
113.02451	0.2
116.92904	0.1
117.03481	0.8
119.05013	0.1
123.04534	0.1
125.02489	0.2
126.98148	0.1
137.02467	0.2
145.02972	2.8
145.04115	0.2
146.03319	0.2
151.00438	0.2
155.10831	0.1
163.04056	0.3
172.49817	0.1
226.69202	0.1
232.16153	0.1
271.06119	0.2
280.65955	0.1
285.03998	0.1
294.26901	0.1
436.11374	0.1
613.18127	0.1
655.18896	1.0
656.19739	0.3
718.36932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
58.00595	0.3
59.01377	2.2
60.93964	0.2
60.99307	1.3
67.01897	4.1
69.03463	1.1
69.61315	0.3
71.01384	2.9
71.22684	0.2
71.23011	0.4
72.99307	0.4
73.02948	0.3
75.00877	0.5
79.97224	0.2
81.03460	0.9
83.05019	1.0
85.02959	4.5
86.81914	0.2
87.00877	4.9
89.02460	0.6
93.03466	25.7
94.03794	1.0
94.46807	0.2
95.01385	0.3
97.02963	0.3
99.00897	0.7
99.04497	0.6
101.02415	0.2
109.02947	0.8
111.00874	0.4
111.04536	4.8
113.02469	0.5
115.03950	0.2
117.03491	0.3
119.05042	11.2
120.05404	0.4
121.03045	0.3
127.04002	1.1
129.01968	0.8
137.02486	1.7
145.02930	1.4
155.03537	1.9
155.10797	1.1
163.04022	11.5
164.04378	0.8
171.03069	0.3
172.86687	0.2
173.04562	44.1
174.04924	1.9
177.04082	0.6
185.95160	0.2
191.05618	100.0
192.05948	3.9
193.05089	0.3
199.09805	0.5
337.09280	47.1
338.05746	0.4
338.09619	5.4
343.90842	0.2
353.09094	0.3
361.14752	0.4
717.24969	0.8
718.26312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20613	0.3
59.01379	3.4
61.98829	39.7
64.50713	0.4
69.03441	0.7
70.96512	0.4
70.96825	0.5
71.01384	2.8
72.99318	0.8
73.02926	0.9
75.00845	0.5
78.95917	1.3
80.02657	0.8
81.03467	0.9
83.01379	0.5
83.05034	4.2
84.02157	0.5
85.02952	0.9
87.00890	0.8
88.98808	0.8
89.02442	2.1
93.03434	0.6
93.79172	0.3
95.01400	0.4
95.05040	0.7
96.96046	0.4
97.06566	0.6
101.02446	3.0
106.18860	0.3
111.08191	0.4
113.02464	1.2
116.92879	0.4
119.03516	0.6
123.04503	0.4
125.06095	0.4
130.61072	0.3
135.08139	0.8
152.99609	0.4
161.04581	1.1
163.11284	3.0
165.12849	2.4
169.01183	0.3
171.10278	1.0
181.12392	0.7
183.13919	3.8
191.10802	1.2
193.12305	1.0
197.11703	0.6
209.11833	100.0
210.12154	7.7
211.13393	62.3
212.13705	5.5
227.12877	14.4
228.13170	0.8
228.91203	0.3
235.08226	2.5
248.17491	0.4
249.14961	0.5
253.09300	7.2
254.09627	0.4
255.03052	0.4
403.24326	0.5
429.21149	0.6
445.20834	3.7
446.21432	0.3
447.22360	3.6
463.21548	0.7
503.33652	1.5
603.77307	0.4
621.33044	1.4
639.33923	1.0
640.33191	0.4
717.38507	2.6
718.38269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01700	0.8
60.11335	0.6
61.98834	7.5
63.90625	0.6
71.01415	0.8
72.10680	0.6
73.88437	0.6
76.90913	0.6
78.95903	11.8
83.05038	1.6
97.06529	0.7
109.41885	0.8
125.02498	0.9
140.01195	3.4
152.99614	2.1
163.11301	1.2
171.26666	0.8
182.04495	0.7
209.11824	14.9
210.12083	3.5
211.27916	0.7
227.12857	2.5
229.31371	1.1
236.25446	0.7
247.06255	0.6
277.21725	35.0
278.22040	13.9
438.09317	1.4
453.12051	1.9
455.17389	0.8
456.19290	0.8
457.18906	2.2
459.16699	1.8
460.16772	0.7
467.13403	1.8
480.14474	1.1
481.11688	2.4
495.11899	0.9
495.17603	1.1
496.13638	15.1
497.14264	9.8
498.15289	2.8
510.15244	4.8
511.16330	8.3
512.17090	4.5
513.17780	4.5
523.17084	0.7
530.14862	1.1
531.13940	0.8
538.15033	1.3
539.19086	2.5
544.16089	5.4
545.16315	2.3
553.17548	1.2
567.18878	8.7
568.19153	2.8
570.18024	1.2
571.18359	11.0
572.18567	2.2
583.18250	1.2
589.18848	1.7
597.20148	1.9
598.20898	4.3
599.21460	33.8
600.21667	8.9
602.16541	3.2
603.17004	1.5
625.19141	2.0
630.19769	2.5
631.20490	2.5
657.22009	16.4
658.22345	4.8
684.39093	2.5
685.39191	2.1
716.41644	8.1
717.24304	84.4
717.41943	11.6
718.24518	28.1
718.43054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
59.01380	8.2
61.98543	1.9
61.98829	11.9
69.03481	1.8
69.99422	1.6
70.19610	1.3
71.01377	10.7
71.31367	1.6
71.77634	1.3
72.99326	1.9
75.00879	8.6
78.95892	3.9
83.05047	1.5
85.02972	7.5
87.00869	2.1
89.02435	2.3
95.01407	1.6
98.19756	2.7
99.00878	4.0
104.26799	1.5
113.02463	9.8
122.55581	1.4
125.79578	1.7
151.11285	1.6
151.43588	1.6
161.09747	1.8
163.11264	1.7
165.47241	1.5
175.02522	2.0
179.10806	3.4
194.15604	1.6
197.11826	18.3
198.12202	1.9
201.44714	1.5
209.11815	20.1
210.12177	2.4
227.12885	2.2
249.06010	2.2
255.20613	3.2
255.23273	53.0
256.23651	6.3
278.42117	1.5
410.94186	1.6
715.42853	100.0
716.31519	2.3
716.43323	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98827	100.0
62.98533	0.2
62.99247	0.1
71.01403	0.1
78.95889	0.3
88.98853	0.1
98.19885	0.1
101.02477	0.1
125.09767	0.1
152.99619	0.2
171.10280	0.7
172.10690	0.2
209.11835	0.1
211.13351	0.2
212.13795	0.1
223.13440	0.2
224.13824	0.1
225.11388	0.1
289.18073	0.1
290.18369	0.1
293.21274	0.1
352.70984	0.0
375.70563	0.0
421.55093	0.0
517.74146	0.1
716.39392	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34629	0.1
59.01371	0.6
61.98830	100.0
65.25592	0.2
71.62975	0.2
78.95900	1.1
83.05049	0.2
96.18053	0.1
108.42216	0.1
109.06624	0.3
111.68751	0.1
116.50469	0.2
125.02498	0.2
127.12901	0.1
152.99615	0.7
157.06435	0.2
171.10341	0.4
197.11758	0.2
207.10304	0.7
209.12030	0.3
223.13416	0.2
225.11348	0.6
292.68301	0.2
293.21130	0.7
355.28854	0.2
462.70279	0.2
716.39594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72190	0.2
59.01365	0.4
61.98829	100.0
66.33456	0.1
71.01410	0.2
78.95913	1.1
88.98828	0.2
103.36549	0.2
124.25900	0.2
152.99669	0.3
202.20038	0.1
206.16731	0.2
209.11844	1.7
210.12233	0.2
227.12924	0.4
255.23389	0.3
277.21713	3.3
278.22131	0.3
400.14032	0.2
455.06763	0.2
456.20432	0.2
471.64401	0.2
556.24054	0.2
684.39044	0.4
716.41571	2.1
717.42474	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	716.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17709	0.1
59.01369	0.5
61.98829	100.0
62.98541	0.2
65.90883	0.1
71.01434	0.1
78.95921	0.3
94.84212	0.1
97.71387	0.1
98.20671	0.2
101.02449	0.1
125.02490	0.1
152.99585	0.2
171.10323	0.2
209.11815	0.2
229.16383	0.1
233.54694	0.1
242.44353	0.1
255.23254	0.1
256.23737	0.1
277.21756	0.1
288.04474	0.1
293.21283	0.1
363.35992	0.1
397.13855	0.1
399.14117	0.1
400.14508	0.1
599.21637	0.1
657.22833	0.1
698.37109	0.1
717.24274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45315	0.4
56.05367	0.3
58.99602	0.5
59.01371	1.2
61.98839	0.4
67.19942	0.3
70.52559	1.3
71.01382	1.2
73.02945	0.4
75.00879	0.5
85.02959	0.7
88.22624	0.3
89.02472	0.4
91.01920	1.1
91.05547	1.7
93.03491	1.2
93.93356	0.4
96.96949	0.3
99.00912	0.6
101.02458	0.9
109.01200	1.6
109.03019	0.6
112.17630	0.4
117.03472	3.2
117.92599	0.4
119.05039	4.1
123.02785	2.8
123.04553	6.8
124.04845	0.4
135.04538	3.0
137.02448	1.5
137.73300	0.4
149.00693	4.6
150.01482	2.1
151.00302	1.2
151.02257	46.9
152.02602	2.0
153.05598	10.8
154.05904	1.2
161.02499	4.2
161.04539	0.4
162.02779	0.5
163.04042	2.3
177.04134	0.7
179.03433	0.7
191.05582	1.0
192.99677	3.0
194.00031	0.9
194.27502	0.4
195.01228	100.0
196.01546	5.1
227.20630	0.4
236.98648	0.7
237.99077	0.4
239.00204	21.8
240.00496	1.7
291.10971	0.7
315.07208	1.8
315.10880	3.3
337.09164	0.4
357.06421	1.3
399.04153	0.6
401.05487	82.4
402.05838	9.1
402.10983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09903	0.1
54.54612	0.1
57.76884	0.1
59.01386	0.2
61.98829	100.0
62.98533	0.2
63.99267	0.1
66.25006	0.1
69.99951	0.6
71.01382	0.2
78.95931	0.4
88.07243	0.1
88.07764	0.1
96.96938	0.1
115.71294	0.1
121.03001	0.1
125.09721	0.2
136.27202	0.1
145.02991	0.2
152.99614	0.2
153.88391	0.1
167.10794	0.1
171.10321	0.5
181.51291	0.1
205.67439	0.1
206.31696	0.1
207.10341	0.1
209.11804	1.0
211.13390	0.2
223.13466	0.1
224.14059	0.1
225.11391	0.2
244.76563	0.1
267.19727	0.4
268.20047	0.2
272.87384	0.1
411.36044	0.1
608.41821	0.1
608.51111	0.1
628.66736	0.1
636.39673	0.3
714.39551	0.2
715.40173	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46863	0.2
55.01878	0.5
57.03458	0.4
58.00594	1.1
59.01377	25.6
60.01721	0.2
71.01384	18.6
71.05032	0.5
71.64579	0.2
72.01740	0.2
72.99305	1.6
73.02947	0.5
75.00885	0.8
75.65798	0.2
81.40242	0.2
83.01384	1.0
85.02956	3.0
87.00874	0.8
88.98809	0.3
89.02448	18.8
90.02763	0.4
92.52483	0.2
93.03484	0.5
95.01391	1.0
99.00901	0.3
101.02455	14.9
102.02797	0.2
108.02180	0.5
113.02457	7.0
114.02791	0.4
119.03514	8.6
119.05033	0.7
120.03802	0.2
125.02361	0.2
129.05573	0.4
131.03537	0.4
137.02440	0.9
138.45168	0.2
143.03525	0.7
147.06633	2.0
149.04617	0.4
152.01099	0.2
161.04558	0.5
163.04001	0.6
164.07230	0.4
167.03532	0.2
178.93118	0.2
179.03575	0.1
179.05634	1.1
191.05630	0.9
237.06104	0.4
308.60468	0.2
309.11893	100.0
310.12247	8.4
315.07080	0.3
353.08813	0.2
401.10864	0.5
683.67096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00628	0.3
55.01881	0.3
57.03450	1.9
58.00587	0.7
59.01381	7.6
67.01879	0.6
68.99823	0.8
69.03438	0.5
70.86434	0.3
71.01384	11.5
72.99310	4.3
73.02949	1.3
75.00875	12.5
80.02686	0.7
81.03487	0.8
83.01405	1.2
83.05035	2.3
84.02166	0.5
85.02958	15.8
87.00891	4.6
89.02460	2.6
95.01385	4.2
99.00887	7.9
99.17721	0.4
101.02473	0.4
103.00384	1.0
111.00898	0.6
113.02455	13.9
115.00388	1.6
117.01965	2.4
129.01978	1.1
131.03508	0.5
133.05963	0.4
135.08153	0.6
140.69431	0.4
157.01442	0.5
163.11302	1.7
165.12868	0.7
175.02501	1.9
181.12366	0.4
191.10835	0.8
193.03523	0.6
205.07181	0.8
209.11839	21.3
210.12202	1.4
213.43040	0.4
227.12909	2.0
249.06178	1.6
255.23289	51.4
256.23605	4.2
336.42786	0.4
459.18576	0.7
477.19925	0.5
505.30081	2.5
506.30295	0.5
514.63086	0.4
613.18402	0.4
697.41510	1.0
715.42896	100.0
716.43231	27.4
732.45795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99918	0.7
55.01873	0.8
57.03442	1.2
58.00591	2.0
59.01376	27.4
61.98823	10.1
62.18844	1.0
69.03460	2.3
71.01386	22.6
72.99301	2.2
73.02945	3.9
78.95908	2.6
81.03464	0.9
83.01385	1.7
85.02958	4.6
87.00872	4.7
89.02451	21.7
91.81834	0.9
95.01405	1.4
97.02977	3.9
98.19799	1.4
99.00826	1.7
101.02449	17.3
111.04539	1.2
113.02477	7.0
119.03494	5.6
125.02445	9.2
133.05133	1.0
143.03500	2.4
152.99620	1.3
161.04567	4.6
178.27948	0.9
179.05615	3.8
219.41335	0.8
221.06593	1.3
223.13345	2.5
235.08163	8.0
236.08537	1.1
253.09352	1.5
255.23274	68.9
256.23615	6.8
277.21573	1.2
287.07626	1.9
305.08759	3.2
323.09824	1.1
379.12256	0.9
397.13492	100.0
398.13864	9.6
415.14575	26.2
416.14679	3.4
491.43219	0.9
635.27301	1.1
653.37683	6.0
654.37830	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	713.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03445	0.8
58.00585	1.7
59.01377	28.3
61.98830	8.7
67.01914	0.3
68.99804	0.5
69.03453	1.7
71.01384	26.2
72.01727	0.5
72.99321	2.3
73.02940	4.2
75.00884	0.6
78.95914	0.7
81.03456	1.0
83.01395	3.0
83.05000	0.3
85.02953	6.3
87.00878	6.0
87.40856	0.3
89.02449	24.1
90.02815	0.5
91.04026	0.4
91.92123	0.4
93.03460	0.4
95.01400	1.9
97.02951	4.3
99.00871	1.8
101.02452	20.5
102.02824	0.3
103.04003	0.4
109.02969	0.4
111.00861	0.4
111.04530	0.8
113.02458	8.9
114.02755	0.4
116.92857	0.6
119.03516	7.0
121.02983	0.3
123.04514	0.5
125.02458	10.3
126.02850	0.3
131.03532	1.0
133.05011	0.6
137.02437	0.6
139.03992	0.9
141.22949	0.3
143.03519	3.8
149.04558	0.9
151.04039	0.5
152.99640	0.5
161.04547	3.9
167.03453	0.5
167.62262	0.3
179.05605	4.0
185.04619	0.4
196.05388	0.3
217.07053	0.5
219.05154	0.4
221.06673	1.6
229.01263	0.4
235.08218	10.6
236.08525	0.7
251.20151	0.4
253.09319	1.9
255.23271	69.9
256.23608	7.5
263.07611	0.7
271.06189	0.5
277.09302	0.6
287.07751	3.5
305.08737	4.6
309.47379	0.4
323.09824	1.3
379.12576	0.6
397.13498	100.0
398.13818	9.7
415.14557	28.5
416.14926	3.6
531.35779	0.8
575.60846	0.3
653.37616	6.3
654.37927	1.2
681.76416	0.4
714.38647	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92517	0.3
52.52258	0.2
55.01864	0.4
57.03445	0.6
59.01376	15.2
59.25187	0.2
61.98827	50.0
62.98529	0.5
63.99248	0.4
69.03453	2.0
69.41900	2.2
71.01378	3.2
71.05034	0.5
73.02959	0.5
78.95908	0.9
83.01409	0.5
83.05035	0.6
85.02965	1.0
85.06618	0.4
87.00895	0.8
89.02440	2.4
92.53367	0.3
97.06621	0.5
99.00913	0.4
101.02440	3.3
109.06586	0.5
111.08135	0.3
113.02454	1.7
119.03531	0.9
125.02464	0.5
125.09685	1.3
133.89258	0.3
135.62424	0.2
137.02499	0.3
143.03552	0.3
145.02962	0.4
145.05112	0.5
149.09718	0.3
150.32878	0.3
152.99619	0.3
155.10828	0.2
161.04556	1.6
161.13330	0.3
165.12787	0.3
167.10800	2.6
167.14439	0.5
177.12935	0.3
179.05637	0.9
179.10825	0.8
179.14398	2.5
183.13895	6.7
184.14200	0.5
187.09755	0.7
193.12318	1.6
194.12790	0.3
195.13896	7.3
196.14256	0.7
197.11818	0.5
205.12341	7.5
206.12660	0.4
207.10292	0.3
209.11865	0.3
211.13387	100.0
212.11636	0.3
212.13718	7.7
223.13382	74.3
224.13744	5.4
235.08214	3.6
253.09247	7.1
254.09557	0.5
277.21796	0.5
397.13531	0.7
399.25443	1.1
417.26401	0.8
429.21277	1.0
441.21219	2.5
447.22324	9.0
448.22607	1.2
459.22321	11.1
460.22427	1.5
583.31470	0.3
609.32880	0.9
610.34082	0.3
635.34424	3.5
636.34564	1.0
653.35748	3.5
654.35773	1.1
669.86566	0.3
677.37421	0.3
713.36877	1.0
714.39142	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	712.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98833	100.0
63.99252	0.2
69.38986	1.7
73.32542	0.2
88.98822	0.3
102.71186	0.1
116.92839	0.3
118.22962	0.2
121.03045	0.2
132.02177	0.6
133.02975	13.8
134.03629	0.6
135.04546	3.7
137.02438	0.6
147.16705	0.2
161.02464	59.8
161.45290	0.1
162.02803	3.2
163.04022	0.3
179.03529	2.6
180.99100	0.2
185.82071	0.2
199.52040	0.2
339.55075	0.2
341.84299	0.2
408.54205	0.2
425.30814	0.3
455.32074	0.3
467.31259	0.2
513.32086	0.2
649.37555	72.8
650.37903	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
60.01687	0.0
61.01812	0.0
61.98827	100.0
62.98531	0.2
62.99254	0.1
71.01399	0.1
83.01413	0.1
85.02978	0.1
88.98822	0.1
89.02460	0.1
96.96059	0.1
101.02461	0.1
109.02978	0.1
116.92860	0.1
119.04989	0.1
121.02953	0.1
122.15644	0.0
123.04585	0.1
125.02440	0.3
135.04543	0.1
137.02470	0.1
142.52586	0.0
149.00662	0.0
151.00368	0.1
151.04041	0.1
152.99718	0.0
161.02480	0.1
162.03273	0.2
163.04051	0.1
165.01912	0.1
166.69203	0.0
168.00679	0.1
171.10272	0.1
175.04039	0.1
177.05635	0.2
179.03502	0.0
193.05013	0.1
203.06927	0.1
209.11908	0.1
245.08195	0.0
271.06235	0.2
272.06396	0.1
285.04181	0.1
289.07361	0.1
327.22025	0.1
355.24939	0.1
371.24365	0.1
373.25836	0.3
387.27557	0.1
487.34372	0.1
488.34476	0.4
489.35010	0.5
490.35287	0.6
713.31183	0.2
731.90613	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02327	0.2
53.27657	0.3
53.43430	0.2
55.01873	0.8
57.03448	3.4
58.00593	0.4
59.01377	11.6
61.98819	2.8
67.01526	0.3
68.12462	0.2
68.99811	0.5
69.03461	1.7
69.53580	0.6
69.53995	1.6
71.01384	14.9
72.99301	2.5
73.02958	2.1
75.00877	36.3
76.01192	0.4
81.03452	0.3
83.01391	1.9
84.02170	0.8
85.02958	8.9
86.03323	0.4
87.00883	6.7
87.04519	0.7
88.98808	0.4
89.02457	4.8
93.03483	0.7
95.01410	0.8
96.96008	0.9
97.02946	1.9
98.20650	0.6
98.95592	0.4
99.00883	3.1
101.02461	5.7
103.00391	0.4
105.01945	0.4
108.02149	0.3
109.02959	0.4
111.00921	0.8
113.02464	2.4
115.04001	0.5
116.92860	0.7
117.03503	0.4
119.03536	0.9
119.05029	2.8
121.03008	0.5
125.02488	0.9
125.09721	1.0
129.01952	6.1
131.03532	0.3
135.04535	0.5
137.02434	0.7
141.01961	0.9
145.02972	0.6
150.03249	0.4
151.00363	0.7
151.04024	0.4
153.09177	0.4
155.10828	1.1
159.02997	1.0
160.01578	0.2
161.04572	0.4
163.04024	3.0
165.05536	0.8
165.12914	0.3
171.10292	2.5
177.04059	24.7
178.04375	1.1
183.13834	0.5
185.11783	0.4
191.05510	0.3
195.05022	0.8
200.62193	0.2
201.11368	0.4
201.14772	0.3
214.06252	0.3
217.14452	0.3
221.99493	0.2
255.06801	0.3
271.09778	0.4
285.20663	0.3
287.05679	0.4
300.02960	0.4
327.21823	0.5
355.24844	2.9
356.24982	0.5
361.18567	0.4
373.25961	8.9
374.26334	1.1
379.19876	0.4
387.27518	0.7
391.19458	0.5
392.20291	0.4
489.10635	0.4
517.30231	4.8
518.30334	0.7
535.31171	27.4
536.31610	4.4
551.19830	0.8
552.21320	0.4
677.34271	4.8
678.34601	1.1
713.36224	100.0
714.36523	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	711.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03890	0.6
59.01378	0.8
61.98825	5.4
71.22529	1.8
73.98732	0.6
74.46588	0.5
78.95905	27.4
83.05034	1.9
96.96978	2.2
112.11256	0.6
125.09724	1.5
127.11291	1.8
152.99599	33.0
153.99947	1.0
163.11308	1.7
165.09213	0.8
165.12895	1.2
171.00650	4.9
171.10239	2.0
191.10474	0.8
197.11874	1.8
201.11328	24.5
202.11684	1.5
209.11832	23.8
210.12148	1.4
225.11336	0.8
226.11655	1.0
227.12923	2.9
245.13945	1.1
255.23277	100.0
256.23599	10.5
265.21722	0.8
277.21735	2.7
310.28122	0.7
337.10468	1.0
363.12186	1.4
381.13281	1.7
437.15652	1.1
455.16815	2.2
473.18356	0.9
667.38318	1.1
687.74213	0.7
693.39917	10.1
694.40643	2.2
711.41040	96.0
712.41199	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3463
Annotation	Cyclomontanin D
Peak:m/z	Relative Intensity
55.01873	0.5
57.03447	4.1
58.00597	0.9
59.01378	14.7
59.29128	0.3
60.99268	0.5
61.98827	6.9
65.43237	0.4
69.03455	2.0
69.63205	0.6
69.63614	2.0
71.01381	16.4
72.99306	3.6
73.02949	2.4
75.00874	38.1
78.95891	0.8
79.95753	0.4
83.01393	2.0
84.02175	0.8
85.02953	9.4
87.00885	8.6
87.04542	0.9
88.98811	1.6
89.02448	5.7
93.03440	1.6
95.01389	0.8
96.11333	0.4
96.96014	4.3
96.96972	0.7
97.02943	1.8
97.06580	0.8
98.19967	0.6
99.00900	3.8
99.92530	0.4
101.02452	5.2
103.00366	1.7
109.02994	0.8
111.00871	0.6
113.02466	2.7
115.04008	0.7
116.92868	0.9
117.01960	0.5
117.03469	0.5
119.03488	1.8
119.05042	1.4
123.08134	0.7
125.02472	1.9
125.09745	0.9
129.01968	6.3
130.02226	0.5
135.04559	0.6
137.02460	2.8
137.09700	0.7
141.01950	0.9
143.03522	0.4
145.02956	1.5
149.02415	0.4
150.03168	0.6
151.00365	0.6
151.04005	0.5
155.10773	1.5
159.02977	1.2
161.04538	0.7
161.05894	0.4
163.04018	1.5
165.02031	0.5
169.12344	0.6
171.10289	2.8
177.04057	25.0
178.04404	1.2
179.03496	0.7
179.10750	0.5
185.11842	1.5
195.05032	0.6
199.09778	0.6
214.12027	0.5
219.42152	0.4
227.12689	0.4
243.16089	0.5
271.05872	0.4
285.03952	0.9
289.07248	0.8
335.22272	0.4
341.23206	1.2
353.23325	4.6
354.23868	0.8
371.24435	9.3
372.24677	1.2
373.25876	0.4
389.18320	0.8
441.46497	0.4
515.28455	4.7
516.28857	0.6
533.29626	26.0
534.29816	4.0
574.85919	0.4
675.32678	7.4
676.32843	1.2
711.34631	100.0
712.34979	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	710.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73868	0.1
59.01367	0.1
61.98827	100.0
62.98536	0.2
67.73874	0.1
69.34668	0.7
71.05804	0.1
71.64608	0.1
74.60274	0.1
87.83234	0.1
116.92871	0.1
117.03468	0.5
119.05048	0.5
119.05772	0.1
121.02962	2.0
135.04546	0.1
145.02972	2.8
146.03329	0.2
163.04034	0.2
181.05109	0.1
199.09836	0.1
209.11931	0.1
211.13501	0.2
266.49072	0.1
291.34247	0.1
416.80240	0.1
419.85019	0.1
451.68225	0.1
469.33319	0.1
487.34723	0.2
524.42297	0.1
541.44934	0.1
632.36377	0.3
633.37891	1.1
647.35956	1.7
648.36798	0.4
651.39264	0.3
703.35870	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	710.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33847	0.1
56.69343	0.1
59.01381	0.8
60.01689	0.1
61.98829	100.0
62.98539	0.2
62.99262	0.1
71.01402	0.4
73.02959	0.1
75.00871	0.1
78.95938	0.2
83.01409	0.1
85.02971	0.1
87.00914	0.1
88.98811	0.7
89.02435	0.1
93.03501	0.2
96.96022	0.1
96.96989	0.1
99.00924	0.1
101.02475	0.2
107.01400	0.1
108.02200	0.1
109.02989	0.1
116.92868	0.1
117.03440	0.1
119.05070	0.2
123.04604	0.1
125.02483	0.2
132.02203	0.1
134.03792	0.2
135.04572	0.1
136.84248	0.1
137.02484	0.3
145.02995	0.2
150.03310	0.1
151.00372	0.4
151.04111	0.1
152.01184	0.1
160.01701	0.1
161.02420	0.1
161.04530	0.1
163.03986	0.1
165.01971	0.1
171.10312	0.1
175.04053	0.2
179.03517	0.1
187.96292	0.1
191.05612	0.1
193.05070	0.3
195.03172	0.1
209.11931	0.1
210.12212	0.1
271.06104	0.4
283.02521	0.1
285.04150	0.2
286.04477	0.1
287.05646	0.1
289.07364	0.1
342.94046	0.1
485.33038	0.1
486.32980	0.4
487.33789	0.6
488.34222	1.2
489.33310	0.1
501.10159	0.1
503.33847	0.1
678.35120	0.1
711.30267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64085	0.3
55.01878	0.3
57.03431	1.4
58.00597	0.7
59.01379	6.3
60.70985	0.3
61.98816	1.2
67.66144	0.3
69.03468	0.4
71.01390	4.9
71.21917	0.8
72.99312	0.3
73.02950	1.4
76.35840	0.3
78.95909	14.4
81.03457	0.5
83.01376	0.9
83.05037	2.2
85.02970	1.5
87.00891	0.4
89.02441	3.3
95.01448	0.4
95.05037	1.0
96.96974	1.4
97.02887	0.4
97.06590	2.9
101.02454	4.1
103.04047	0.3
107.06886	0.3
113.02470	2.5
119.03500	0.9
125.09721	0.8
127.11319	1.0
133.05074	0.5
133.10266	0.5
143.03529	0.4
151.11301	11.9
152.11653	0.7
152.99614	20.3
155.10774	0.7
157.22850	0.3
161.04527	0.9
163.11299	1.6
165.12912	0.6
169.12358	88.2
170.12711	5.7
171.00662	2.2
171.10246	0.9
179.05571	0.4
195.10246	1.7
199.09732	0.5
201.11331	16.6
202.11684	1.0
207.10204	0.3
209.11829	20.6
210.12091	1.5
213.11339	10.0
214.11732	0.5
227.03242	1.6
227.12909	2.1
235.08232	0.9
245.04396	0.7
253.09320	2.5
253.21698	3.0
254.22014	0.4
255.23360	2.0
277.21719	20.6
278.22025	2.0
279.23273	0.6
363.12033	0.7
381.13150	1.1
411.14203	0.5
431.19141	2.4
437.15875	0.5
449.20316	5.5
450.20218	0.8
455.16815	3.3
473.17899	13.9
474.18256	1.5
559.11682	0.4
691.38550	3.5
692.39154	0.7
709.41254	100.0
710.41644	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68818	0.3
55.01883	0.4
57.03441	1.8
57.54806	0.3
59.01382	5.0
61.60661	0.3
61.98828	3.1
71.01395	4.1
72.99335	0.3
73.02941	1.6
74.16269	0.4
77.25117	0.3
78.95900	7.0
83.01382	0.8
83.05031	1.4
85.02941	2.4
87.00896	1.7
89.02446	2.7
95.01409	0.4
95.05013	2.0
96.97002	0.9
97.06602	6.5
98.20783	0.8
101.02454	4.5
104.62182	0.3
109.06581	0.7
109.62287	0.4
113.02432	2.3
119.03518	0.4
123.08177	0.5
123.83801	0.3
125.02423	0.5
125.09754	0.8
132.76161	0.3
133.05070	0.4
144.75417	0.3
145.05084	0.6
145.34874	0.3
149.09718	0.9
151.11296	15.1
152.11612	0.7
152.99593	7.8
161.04549	1.4
169.12352	48.6
170.12691	3.0
171.00627	0.9
171.10277	1.2
181.12369	0.4
184.13908	0.4
195.10257	2.1
196.10562	0.4
197.11815	0.4
199.09795	0.6
199.13411	0.9
201.11237	0.5
207.08572	0.4
207.10300	1.3
209.11829	1.2
213.11333	6.1
223.13379	0.6
225.11319	2.0
227.03340	0.5
227.12970	1.7
235.08185	1.2
253.09264	2.2
253.21680	0.7
255.23282	7.6
256.23578	0.7
259.20737	0.3
265.21783	0.4
275.19925	0.4
277.21710	50.1
278.22043	6.6
288.45731	0.3
289.43323	0.4
352.59088	0.3
379.11618	0.5
389.60168	0.4
431.19186	2.3
432.19266	0.4
449.20273	2.6
450.20447	0.5
453.15302	0.7
454.15466	0.5
455.16916	1.8
471.16891	0.5
472.16534	0.5
473.16965	1.2
483.27237	0.4
545.94891	0.4
691.38385	3.3
692.39825	0.7
709.41705	100.0
710.42065	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	710.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58274	0.0
59.01361	0.1
61.98829	100.0
62.98530	0.2
62.99262	0.1
65.00326	0.1
66.45640	0.1
83.01381	0.1
93.03475	0.1
103.77057	0.1
106.16805	0.1
107.01418	0.1
112.50079	0.1
116.92863	0.2
117.03407	0.1
119.05052	0.1
137.02509	0.1
138.34508	0.0
145.02925	0.1
151.00391	0.2
163.04016	0.1
169.06575	0.1
180.08607	0.0
183.04570	0.2
199.03998	0.1
211.03986	0.2
213.05548	0.1
214.02715	0.1
227.03554	0.3
230.47098	0.0
243.03021	0.1
255.02986	3.9
256.03403	0.4
283.02475	10.2
284.02896	1.2
285.04044	3.4
286.04498	0.4
430.09042	1.9
431.09714	1.2
432.10376	0.1
501.10358	0.2
563.62781	0.1
564.12512	0.1
647.16260	9.9
648.16632	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	710.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70662	0.1
57.03420	0.1
59.01365	0.3
61.98828	100.0
62.98527	0.2
70.17967	0.1
70.49522	0.2
71.01398	0.1
91.79035	0.1
94.51334	0.1
117.03460	0.1
119.05038	0.1
124.34248	0.1
145.02870	0.1
181.05139	0.1
181.12338	0.1
191.10870	0.1
197.11855	0.1
199.09837	0.2
201.08376	0.1
201.11426	0.1
203.99950	0.1
205.12495	0.1
209.11850	0.6
211.13371	0.1
223.13364	0.6
253.09354	0.1
308.45505	0.1
351.25797	0.1
445.21097	0.2
459.22723	0.1
467.30637	0.1
471.31656	0.1
497.60352	0.1
531.33643	0.1
647.36249	0.3
648.36383	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	709.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18501	0.1
57.03463	0.1
58.00588	0.1
59.01379	38.0
60.01719	0.4
60.09838	0.1
61.98833	3.6
67.10178	0.1
68.99825	0.1
69.97149	0.1
71.01387	0.8
71.42380	0.2
71.42734	0.1
72.99313	0.2
73.02946	0.1
77.88934	0.1
78.95908	0.3
80.37576	0.1
83.01376	0.1
83.05077	0.1
83.64967	0.1
85.02954	0.2
89.02438	0.6
95.01419	0.1
101.02459	0.9
113.02439	0.5
116.92873	0.3
119.03518	0.6
119.05022	0.1
123.04594	0.1
125.02463	0.2
134.03630	0.1
137.02423	0.1
143.03574	0.1
146.60298	0.1
151.00311	0.1
151.03859	0.1
161.02460	0.1
161.04604	0.4
171.10275	0.1
193.05138	0.1
208.84059	0.1
209.11862	0.2
221.06714	0.3
241.73505	0.1
271.06110	0.1
321.85724	0.1
379.30106	0.2
407.24326	0.1
409.31171	0.3
421.31409	0.1
455.31522	0.1
485.32901	0.1
487.34253	100.0
488.34607	20.6
501.35825	0.3
529.35254	0.6
530.36017	0.2
559.37402	0.1
649.39636	1.6
650.39966	0.4
709.42438	1.0
710.42346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3951
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
57.03443	0.7
58.00585	0.5
61.98831	1.3
65.70258	0.4
73.02928	0.4
73.11064	0.4
78.95906	37.8
80.02677	0.7
81.03442	0.9
83.05021	3.8
90.65790	0.4
95.05037	0.6
96.96972	2.9
112.21970	0.4
125.09728	3.4
127.11326	4.0
137.09738	0.9
139.11311	0.5
152.99600	54.4
153.99966	1.1
155.10788	2.2
163.11288	3.0
165.09192	1.4
165.12856	1.6
169.12378	0.4
171.00652	6.4
171.10309	1.9
183.10194	0.4
189.92422	0.4
191.10820	0.7
199.09761	1.8
201.11328	56.9
202.11664	3.6
207.10309	0.5
209.11835	59.7
210.12189	4.8
225.11186	0.5
227.03267	4.2
227.12901	6.3
228.13191	0.8
245.04248	1.8
245.13901	1.4
245.19386	0.4
253.21696	9.7
254.22189	0.6
255.23285	2.3
256.23862	0.5
274.43524	0.5
337.10666	0.9
363.12119	2.2
381.13223	3.6
382.13202	0.5
411.14349	1.8
429.15384	2.4
437.15759	1.8
455.16818	10.9
456.16949	1.1
472.16791	0.6
473.17905	46.0
474.18234	5.3
599.32526	0.5
665.36603	0.9
691.38446	8.0
692.38605	1.3
709.39478	100.0
710.39819	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00871	0.4
56.47457	0.5
57.03448	0.5
59.01379	43.5
61.98829	35.3
61.99097	0.4
68.86085	0.4
69.35148	5.0
71.01392	4.2
72.99325	0.7
73.02951	1.0
74.54570	0.4
78.95896	1.8
83.01420	0.6
83.05042	0.5
85.02930	1.5
88.98786	1.1
89.02445	1.8
93.03487	0.6
95.01389	0.8
96.96076	0.5
98.20555	0.9
99.00903	0.5
101.02463	3.6
109.02975	1.0
113.02460	2.2
115.90210	0.5
116.92902	0.7
119.03520	1.1
119.05006	0.7
121.02999	1.2
123.04508	0.9
125.02465	1.4
135.04503	0.5
137.02486	1.8
151.00386	0.6
151.04033	0.7
161.04601	1.0
161.05901	0.5
165.01920	0.6
171.30576	0.6
175.03955	0.9
177.01973	0.7
207.10225	0.6
209.11841	0.9
211.13399	1.9
225.11337	0.9
271.06158	1.4
285.04022	1.0
289.07120	1.8
294.12726	0.5
302.58606	0.5
327.05084	0.6
419.14880	0.9
438.52298	0.7
449.08792	1.5
487.34259	100.0
488.27655	1.1
488.34604	19.5
501.36105	0.7
509.26007	0.6
511.27023	0.7
517.32019	0.5
547.27148	0.5
558.19086	0.6
646.37708	0.6
649.39630	13.6
650.39966	3.6
655.33746	0.7
709.42285	10.5
710.42267	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	709.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85522	2.3
59.01385	3.3
61.98828	27.5
64.36788	2.4
65.08496	2.6
71.64038	4.6
72.48621	2.4
78.95911	40.2
80.96517	14.8
94.98093	3.0
96.96938	4.1
97.02977	3.0
109.06592	9.7
118.59029	2.3
119.83461	2.6
125.02431	2.6
125.80455	2.2
151.47807	2.4
152.99602	50.8
157.61676	2.4
163.11243	4.9
168.43675	2.8
171.00647	10.2
181.12305	3.2
199.09767	2.3
207.10234	19.8
209.11804	3.8
225.11375	20.3
243.12282	3.2
255.23279	100.0
256.23621	9.4
279.23279	15.2
361.10513	7.3
435.14346	5.5
453.14856	4.5
455.16827	5.6
460.71707	2.5
691.38446	20.0
692.39667	5.3
709.38501	23.4
710.39581	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	709.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34645	0.2
57.03439	0.4
59.01373	2.2
60.99300	0.3
61.98828	7.2
63.02385	0.2
64.30711	0.2
65.00333	0.3
68.64307	0.2
69.03463	0.3
70.00289	0.2
71.01384	1.8
72.99312	0.4
73.02953	0.5
75.00883	0.8
78.70940	0.2
78.95901	0.3
81.03452	0.2
83.01380	0.9
83.05032	0.2
85.02966	1.0
87.00876	0.5
88.98820	1.8
89.02455	1.0
93.03469	3.1
94.03810	0.2
95.01386	0.2
96.96026	0.5
97.02974	0.3
99.00887	0.4
101.02465	0.9
102.69893	0.2
103.00381	0.2
107.01398	1.3
107.05092	0.2
109.02962	1.0
111.00960	0.3
113.02465	0.7
114.93447	0.2
116.92893	0.6
117.03485	0.7
117.05562	0.3
117.07327	0.2
118.98074	0.2
119.03532	0.2
119.05038	2.0
121.02974	0.4
123.04536	0.5
125.02474	1.1
129.01967	0.3
130.04308	0.3
132.02142	0.2
133.02957	0.8
135.00903	0.5
135.04527	0.5
137.02483	2.9
137.09715	0.3
140.16373	0.2
141.07120	0.3
143.05019	0.7
145.02983	1.6
145.06602	0.4
149.02464	0.3
151.00388	1.5
151.04004	0.5
152.01216	0.4
153.01945	0.4
154.04230	0.7
155.05038	0.4
155.10777	1.4
157.06593	0.4
159.04532	0.8
160.01695	0.3
161.02495	2.5
161.04500	0.2
161.06157	0.2
162.02861	0.3
163.00388	1.2
163.04005	1.4
164.01131	0.4
165.01915	1.1
165.05473	0.2
167.05031	0.4
169.06613	2.1
171.04536	0.8
171.10326	0.3
173.02429	0.5
173.04565	0.3
173.06107	0.3
175.02550	0.2
175.04053	0.6
177.01901	0.5
177.04109	0.6
179.03583	0.2
182.52994	0.2
183.04590	0.4
184.05261	0.2
185.06111	2.6
187.04018	2.4
189.02066	0.2
189.05592	1.7
191.05556	0.4
192.00638	0.2
195.04645	0.7
196.05228	0.3
197.06070	0.7
198.03232	0.2
199.04007	0.6
199.09708	0.9
201.05583	0.6
201.11342	2.6
203.12865	0.3
205.05125	0.2
209.11833	4.3
210.12218	0.2
211.03935	1.2
211.07657	0.5
212.04701	0.2
213.05589	2.6
214.02707	0.9
215.03525	0.9
217.04990	0.3
226.02776	0.3
227.03517	4.1
227.12891	0.7
228.03897	0.3
229.05063	6.7
230.05385	0.7
239.03459	1.0
240.04126	0.9
241.05061	1.4
243.02884	1.1
253.09335	0.7
255.02963	6.0
256.03650	1.2
257.04550	4.9
258.04697	0.3
267.02930	0.5
271.06012	1.8
272.06357	0.3
277.07138	0.4
283.02551	2.5
284.03232	4.6
285.04034	100.0
286.04373	9.7
287.05569	0.6
289.07077	0.4
297.04089	0.2
313.07263	0.3
369.22763	0.2
385.22272	0.2
399.07092	0.3
404.77844	0.2
417.08221	1.3
427.10364	0.5
431.09839	8.7
432.10196	1.2
457.07574	0.4
484.18427	0.2
487.34799	0.2
535.31604	0.3
563.11981	33.7
563.62164	0.5
564.12341	6.9
614.57849	0.2
624.92365	0.2
649.35907	0.3
671.18542	0.4
677.17200	1.0
697.13104	0.2
709.21326	0.7
709.33899	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	709.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55379	0.1
54.95806	0.1
55.20236	0.1
58.51831	0.1
59.01376	0.1
60.99302	16.6
61.98829	0.4
71.01392	0.3
71.59462	0.1
75.00873	0.1
85.02930	0.1
87.37662	0.1
88.98808	100.0
89.99131	1.3
93.03479	0.2
96.96008	0.1
98.53509	0.1
100.04576	0.1
108.16180	0.1
137.02406	0.2
137.70169	0.1
161.02409	0.2
236.92702	0.1
255.02881	0.3
283.02338	0.8
284.02896	0.1
285.04062	1.0
384.21970	0.1
399.14127	0.1
430.08612	0.2
431.09863	0.3
619.16907	1.0
624.37933	0.1
709.32977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.164
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87269	0.1
59.01366	0.2
60.99306	17.3
61.98827	0.5
70.02270	0.1
71.01390	0.3
75.00882	0.2
85.02964	0.2
88.98812	100.0
89.99141	1.2
93.03482	0.1
96.96056	0.1
106.05909	0.1
111.00907	0.1
125.02459	0.1
133.02965	0.1
137.02437	0.2
145.02884	0.1
155.10716	0.1
161.02417	0.3
163.03929	0.1
165.01828	0.1
177.03978	0.2
230.35500	0.1
236.38493	0.1
255.02852	0.4
283.02481	0.8
285.04019	1.2
286.04269	0.1
427.09668	0.2
430.08658	0.2
431.09421	0.3
619.16748	1.0
620.16840	0.2
709.33081	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98832	1.1
63.02399	0.2
65.00327	0.1
67.01855	0.1
69.28638	1.1
73.60213	0.1
83.01389	0.5
84.61913	0.1
93.03460	1.0
107.01397	0.7
109.02963	0.4
117.03467	0.4
119.01443	0.1
119.05042	0.2
121.02960	0.2
123.00831	0.2
130.04242	0.2
131.05040	0.2
131.77057	0.1
135.00877	0.5
137.02467	0.3
141.07133	0.1
143.05043	0.7
143.65221	0.1
144.05280	0.1
145.02983	0.8
147.00954	0.1
151.00389	0.4
153.01959	0.3
154.04253	0.7
155.05051	0.4
157.06580	0.3
159.04517	0.8
161.02486	0.2
161.06133	0.1
163.00409	1.2
163.04042	0.2
165.00743	0.1
165.01929	0.6
167.05031	0.3
168.05833	0.3
169.06584	2.0
170.06969	0.2
171.04524	0.7
173.02477	0.6
173.06143	0.1
183.04532	0.3
184.05270	0.2
185.06075	2.4
186.04861	0.1
186.06398	0.2
187.04028	2.0
188.04347	0.1
189.05592	1.6
190.06053	0.1
195.04523	0.4
196.05159	0.2
197.06070	0.6
198.03171	0.2
199.03990	0.7
201.05629	0.5
211.04007	1.3
212.04691	0.3
213.05576	2.8
214.02766	0.9
214.05936	0.3
215.03473	0.8
217.05000	0.2
223.04111	0.1
226.02817	0.1
227.03505	3.8
228.03981	0.4
229.05052	5.6
230.05389	0.3
239.03517	1.0
240.04214	0.5
241.05014	1.2
243.02995	1.3
244.03207	0.1
255.02972	4.6
256.03583	0.9
257.04541	4.2
258.04971	0.3
267.02939	0.5
268.03732	0.1
283.02509	1.3
284.03268	2.5
285.04034	100.0
286.04376	9.2
286.07742	0.2
362.66632	0.1
399.06924	0.2
417.08139	0.2
430.08936	0.2
431.09836	18.6
432.10172	2.4
487.30569	0.4
563.11987	20.0
563.61737	0.2
564.12311	4.5
709.18073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54683	0.3
53.43910	0.4
58.46348	0.3
59.01372	0.4
61.98841	0.8
74.79184	0.3
78.95908	31.0
79.95750	0.4
81.66833	0.4
83.05025	0.7
96.96983	2.7
109.06604	0.7
110.98486	0.3
136.71642	0.4
150.98013	0.6
152.99602	39.3
153.99973	0.8
155.10760	0.7
161.59659	0.4
163.11299	0.8
165.12776	0.4
167.10857	0.4
167.14362	0.6
169.12311	0.4
169.58571	0.4
171.00664	3.3
171.10336	0.5
183.13898	8.4
184.14311	0.5
193.12378	2.3
197.11809	1.1
207.10280	1.6
209.11836	1.3
211.13396	100.0
212.13730	6.4
225.11374	1.7
227.03271	4.4
231.85968	0.4
245.04337	1.2
253.21709	23.7
254.21930	2.2
255.23364	1.7
269.24792	1.5
277.21698	2.6
278.22119	0.7
279.23300	1.9
347.12598	0.7
379.15369	1.9
421.16336	2.0
439.17300	6.9
453.14932	2.7
457.18750	0.6
471.20035	72.7
472.20380	8.7
642.00470	0.4
675.39026	3.0
676.39197	0.5
689.36316	1.8
707.41534	37.8
708.41809	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	707.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07961	0.4
55.01880	0.6
57.03449	2.0
58.00595	1.4
59.01377	12.8
59.09428	0.4
60.99300	1.0
61.98829	99.1
62.98552	0.7
63.99267	0.9
65.00319	0.8
68.99831	0.5
69.03458	0.8
70.33450	0.5
71.01384	71.9
72.01723	1.3
72.99310	1.3
73.02952	3.6
75.00872	0.9
78.95931	1.0
80.02689	2.1
81.03462	2.7
82.37997	0.4
83.01395	1.7
83.05025	6.4
83.59866	0.4
84.02168	1.3
85.02951	3.2
87.00876	2.6
88.98814	6.3
89.02456	6.0
93.03466	2.0
95.01428	1.1
95.05042	1.9
96.96026	1.2
97.02969	2.9
97.06603	0.7
98.20719	1.1
98.86506	0.4
99.00900	2.5
99.04548	0.6
101.02450	8.2
105.03464	0.4
107.01398	1.1
107.04977	0.5
108.02197	0.6
109.02976	1.8
109.06600	7.0
111.00850	0.7
111.04525	0.6
111.08207	0.6
113.02473	4.2
116.92867	2.0
117.03503	0.5
119.03517	2.1
119.05036	2.0
121.02961	1.0
122.03790	0.9
123.01008	0.5
123.04538	15.1
123.08108	0.6
124.10094	0.5
125.02477	5.1
125.06107	1.3
125.09725	3.5
127.11293	3.1
133.02921	0.6
134.03751	0.6
135.04546	1.8
135.08186	1.6
137.02428	3.2
137.06122	0.5
137.09746	1.0
142.02647	0.5
143.03464	1.0
145.03011	1.3
145.05034	0.7
149.02522	0.9
149.09729	0.7
151.00374	4.0
151.04012	1.5
151.07698	0.6
153.05589	13.9
153.09207	0.9
154.06035	0.7
155.10793	2.6
161.02448	2.0
161.04556	3.4
163.04019	1.4
163.07661	0.6
163.11319	7.5
164.01108	0.5
164.11652	0.5
165.01953	2.7
165.05486	0.4
165.09207	0.9
165.12854	2.5
167.03526	2.0
167.10730	0.6
171.10283	55.4
172.05235	0.6
172.10652	4.1
175.04004	1.0
177.01979	1.1
178.99803	0.7
179.03426	0.6
179.05621	1.1
179.10864	0.8
181.08714	0.7
181.12372	2.6
183.10255	0.5
185.10265	0.4
185.11809	2.5
187.07629	0.7
187.09718	0.6
189.09207	1.0
191.05481	0.6
191.10826	0.6
197.11765	0.7
199.09744	8.0
199.13403	1.6
201.11331	32.1
202.11728	2.1
205.05238	0.8
207.08316	0.9
207.10275	16.0
208.10629	1.5
209.11832	100.0
210.12196	7.2
211.13231	0.6
215.07153	0.6
215.12804	0.9
225.11333	18.4
226.11641	1.7
227.12874	12.3
228.13138	1.2
229.76039	0.5
235.08159	3.6
243.12323	1.6
253.09293	14.0
259.90048	0.5
271.05936	2.2
285.03848	0.6
287.05652	1.3
289.07111	1.1
295.10635	0.5
301.03574	2.7
323.07745	0.8
355.24603	1.0
365.10315	0.6
373.25937	5.3
391.21191	0.7
399.22260	0.7
407.19525	0.6
417.22824	0.7
435.18170	0.7
443.19147	0.8
461.20328	4.1
479.21054	0.8
485.33301	5.1
627.30573	0.9
644.27728	3.2
645.18512	0.9
645.29584	4.0
647.36530	0.5
653.32758	0.9
671.36530	3.6
672.34631	0.9
689.33905	2.0
707.17627	1.5
707.34845	6.8
708.35260	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	707.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07961	0.4
55.01880	0.6
57.03449	2.0
58.00595	1.4
59.01377	12.8
59.09428	0.4
60.99300	1.0
61.98829	99.1
62.98552	0.7
63.99267	0.9
65.00319	0.8
68.99831	0.5
69.03458	0.8
70.33450	0.5
71.01384	71.9
72.01723	1.3
72.99310	1.3
73.02952	3.6
75.00872	0.9
78.95931	1.0
80.02689	2.1
81.03462	2.7
82.37997	0.4
83.01395	1.7
83.05025	6.4
83.59866	0.4
84.02168	1.3
85.02951	3.2
87.00876	2.6
88.98814	6.3
89.02456	6.0
93.03466	2.0
95.01428	1.1
95.05042	1.9
96.96026	1.2
97.02969	2.9
97.06603	0.7
98.20719	1.1
98.86506	0.4
99.00900	2.5
99.04548	0.6
101.02450	8.2
105.03464	0.4
107.01398	1.1
107.04977	0.5
108.02197	0.6
109.02976	1.8
109.06600	7.0
111.00850	0.7
111.04525	0.6
111.08207	0.6
113.02473	4.2
116.92867	2.0
117.03503	0.5
119.03517	2.1
119.05036	2.0
121.02961	1.0
122.03790	0.9
123.01008	0.5
123.04538	15.1
123.08108	0.6
124.10094	0.5
125.02477	5.1
125.06107	1.3
125.09725	3.5
127.11293	3.1
133.02921	0.6
134.03751	0.6
135.04546	1.8
135.08186	1.6
137.02428	3.2
137.06122	0.5
137.09746	1.0
142.02647	0.5
143.03464	1.0
145.03011	1.3
145.05034	0.7
149.02522	0.9
149.09729	0.7
151.00374	4.0
151.04012	1.5
151.07698	0.6
153.05589	13.9
153.09207	0.9
154.06035	0.7
155.10793	2.6
161.02448	2.0
161.04556	3.4
163.04019	1.4
163.07661	0.6
163.11319	7.5
164.01108	0.5
164.11652	0.5
165.01953	2.7
165.05486	0.4
165.09207	0.9
165.12854	2.5
167.03526	2.0
167.10730	0.6
171.10283	55.4
172.05235	0.6
172.10652	4.1
175.04004	1.0
177.01979	1.1
178.99803	0.7
179.03426	0.6
179.05621	1.1
179.10864	0.8
181.08714	0.7
181.12372	2.6
183.10255	0.5
185.10265	0.4
185.11809	2.5
187.07629	0.7
187.09718	0.6
189.09207	1.0
191.05481	0.6
191.10826	0.6
197.11765	0.7
199.09744	8.0
199.13403	1.6
201.11331	32.1
202.11728	2.1
205.05238	0.8
207.08316	0.9
207.10275	16.0
208.10629	1.5
209.11832	100.0
210.12196	7.2
211.13231	0.6
215.07153	0.6
215.12804	0.9
225.11333	18.4
226.11641	1.7
227.12874	12.3
228.13138	1.2
229.76039	0.5
235.08159	3.6
243.12323	1.6
253.09293	14.0
259.90048	0.5
271.05936	2.2
285.03848	0.6
287.05652	1.3
289.07111	1.1
295.10635	0.5
301.03574	2.7
323.07745	0.8
355.24603	1.0
365.10315	0.6
373.25937	5.3
391.21191	0.7
399.22260	0.7
407.19525	0.6
417.22824	0.7
435.18170	0.7
443.19147	0.8
461.20328	4.1
479.21054	0.8
485.33301	5.1
627.30573	0.9
644.27728	3.2
645.18512	0.9
645.29584	4.0
647.36530	0.5
653.32758	0.9
671.36530	3.6
672.34631	0.9
689.33905	2.0
707.17627	1.5
707.34845	6.8
708.35260	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	707.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74643	1.1
57.03426	2.2
59.01384	15.8
61.98832	100.0
62.21799	1.1
71.01383	20.3
71.64940	1.9
72.01715	2.2
72.99310	1.9
73.02945	2.4
75.00838	1.8
78.95901	6.9
80.02702	1.2
83.01396	1.7
83.05032	2.6
85.02959	3.9
87.00890	2.7
88.98819	7.6
89.02457	7.1
93.03463	2.0
95.05008	1.7
96.96024	1.6
99.00906	2.4
101.02460	7.6
109.06587	8.7
113.02457	4.6
116.92860	1.8
119.03539	1.7
119.05030	2.9
123.04550	2.3
125.02445	2.9
135.04488	1.8
135.08191	1.2
137.02478	2.9
145.02995	2.5
145.18245	1.2
151.00397	4.3
151.04024	1.6
152.99664	2.3
160.01654	1.6
161.02437	1.4
161.04532	1.9
163.04047	1.5
163.11320	6.1
165.01938	2.4
171.10258	3.6
175.04077	1.5
185.11925	1.5
197.11769	1.6
201.11307	2.0
207.10292	27.0
208.10628	3.2
209.11842	46.0
210.12193	5.6
220.25764	1.3
225.11336	15.2
226.11600	1.5
227.12909	10.8
235.08136	2.7
243.12360	1.4
253.09288	7.5
271.06027	6.1
285.03903	1.6
287.05832	1.4
289.06940	1.6
399.21591	2.3
417.22910	2.1
443.19220	1.6
445.20718	1.5
461.20248	6.3
473.32639	2.9
485.33365	6.4
635.30853	14.4
636.31091	3.6
647.37915	16.5
648.38416	4.8
653.31818	13.8
654.32074	3.8
671.32532	21.6
672.33325	6.3
689.33954	2.1
707.30066	26.7
708.31165	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	706.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45999	0.1
55.30080	0.1
57.70556	0.1
59.01386	0.5
60.28158	0.1
61.98827	100.0
62.98536	0.3
70.84894	0.2
71.01408	0.5
73.02939	0.1
74.81882	0.1
77.66876	0.1
78.95917	0.4
83.05040	0.1
83.80058	0.1
85.02961	0.2
87.00916	0.1
88.98842	0.1
89.02457	0.3
96.96049	0.1
101.02481	0.3
113.02446	0.2
123.04496	0.1
128.09416	0.1
151.04059	0.1
163.11296	0.2
165.12897	0.3
167.03535	0.1
169.12430	0.1
171.10272	0.2
183.13907	3.3
184.14224	1.7
184.15704	0.2
205.70801	0.1
207.10324	0.1
209.11813	2.4
210.12146	1.2
225.11377	0.1
227.12868	0.3
228.13234	0.2
235.08311	0.1
253.09253	0.2
262.67242	0.1
272.68735	0.1
339.61780	0.1
463.21964	0.1
501.32407	0.4
515.91797	0.1
647.38477	0.1
673.34436	0.2
674.34894	4.0
675.35132	0.5
706.37866	0.4
707.36749	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80065	0.5
55.66637	0.5
57.03437	1.0
59.01375	7.7
60.99290	1.0
61.98829	65.2
63.99240	1.0
67.12022	0.5
69.03429	0.6
69.40565	1.8
69.40983	3.2
71.01387	5.9
71.05013	0.8
72.99297	0.7
73.02946	1.0
78.95897	2.7
80.02661	1.1
80.05066	0.7
81.03470	2.0
83.01375	0.7
83.05030	6.0
84.02156	0.8
85.02952	1.9
87.00882	0.7
88.98819	5.1
89.02471	3.6
94.06622	1.6
95.05044	1.0
97.02946	0.7
99.00899	0.7
101.02446	3.3
106.06631	0.9
107.01298	0.7
107.03799	2.7
109.02951	0.9
111.08185	0.7
113.02460	2.3
116.92830	0.8
119.03504	0.9
119.05004	0.9
120.08202	9.4
122.06133	35.4
123.04572	1.0
123.06471	1.6
125.02482	2.9
125.06039	0.7
126.02769	0.6
132.04570	1.0
134.06091	3.1
135.04527	1.6
135.08148	0.7
136.07677	1.0
136.72215	0.5
137.02435	2.2
139.02763	1.1
145.02954	2.0
149.02408	0.6
151.00404	3.5
151.04066	0.6
152.07188	39.8
153.07477	1.9
158.02341	0.8
161.02463	0.8
161.04607	1.3
163.04044	0.8
163.11278	3.7
164.07140	0.9
164.11638	1.4
165.01924	1.5
165.12871	1.9
166.13232	1.1
169.12372	1.6
170.12653	0.9
171.10254	2.9
172.10695	0.7
177.02028	0.6
179.05569	0.9
181.12250	1.1
183.13919	2.6
187.62338	0.6
190.05180	1.5
191.10753	0.9
197.11852	2.2
200.07175	0.7
201.11212	0.9
207.10167	0.8
209.11830	100.0
210.12166	47.7
210.46643	0.6
211.12422	2.5
221.10719	0.6
223.08711	2.9
223.12495	0.6
224.09476	0.9
225.10335	0.8
227.12915	17.7
228.13194	6.7
235.08284	2.4
235.12354	0.9
237.10260	4.6
238.11064	1.8
239.11844	3.9
245.12920	1.7
249.06604	0.8
249.10245	1.0
251.08287	1.7
251.11839	4.0
253.09273	5.9
254.09665	1.6
263.08200	2.1
264.09024	4.5
265.09830	3.7
266.10385	0.6
267.11487	0.6
271.05991	1.1
271.10666	1.0
276.08972	1.4
277.09821	2.3
278.10599	2.3
279.11371	18.3
280.11761	2.4
281.12772	0.7
283.10925	0.7
285.04102	0.7
287.05688	3.3
288.05954	0.9
291.11365	4.3
292.12207	1.1
295.10748	1.6
305.09283	0.6
305.23935	0.5
309.20718	4.0
311.14059	0.7
313.12006	0.7
322.09583	0.8
323.10385	5.5
325.11780	1.4
335.10519	0.9
357.14954	0.6
360.17200	1.9
387.15045	0.6
389.17279	0.7
397.13461	0.8
402.18192	5.4
403.18668	1.5
404.19949	1.1
415.14566	1.3
416.19885	0.8
417.20511	1.1
429.17175	0.6
444.19275	5.3
445.20325	2.9
446.21359	1.3
448.18872	3.0
449.18750	0.7
457.27386	0.7
460.18140	0.7
461.19537	1.6
466.00534	0.6
471.17709	1.1
480.52185	0.6
481.22714	0.9
484.31543	0.7
485.29111	1.0
488.18341	8.0
489.18851	6.2
490.19775	0.7
509.25232	0.8
520.20886	19.8
521.21234	4.2
567.26270	9.0
568.26654	2.4
611.25238	48.3
612.25513	11.3
638.32886	0.9
643.27826	53.3
644.28076	15.3
688.33002	1.5
689.33679	0.9
706.18756	0.9
706.34894	2.4
707.34430	3.1
708.94507	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
58.00596	0.2
59.01380	2.5
60.99308	0.2
61.98829	100.0
62.05782	0.2
62.98521	0.2
69.03458	0.5
69.44332	1.2
69.44739	0.3
71.01381	2.1
72.99271	0.2
73.02927	0.4
75.00881	0.7
78.95916	0.2
81.03451	0.3
83.01389	0.9
85.02939	0.9
87.00900	0.4
88.98824	0.6
89.02437	1.6
93.03471	1.2
95.01393	0.5
95.05035	0.3
96.96025	0.8
97.02945	1.3
99.00922	0.3
101.02451	1.2
107.01403	0.2
108.02225	0.3
109.02968	1.7
113.02467	0.8
116.92872	0.5
117.03504	0.4
119.03524	0.5
119.05052	0.7
119.16798	0.1
121.02981	0.7
122.03758	1.5
122.06155	0.3
123.00900	0.7
123.04557	1.3
124.01697	1.6
124.04911	0.2
125.02479	4.8
126.02802	0.7
133.02939	0.3
134.04924	0.2
135.04518	0.6
135.50432	0.2
137.02464	5.3
138.02921	0.4
139.04022	0.3
141.05440	0.2
145.02962	0.6
146.03778	0.3
149.02449	0.7
149.99599	1.6
150.03185	0.4
151.00278	0.8
151.04019	0.9
152.01077	0.2
152.07225	0.3
153.01920	0.2
153.05667	0.2
154.02731	0.4
155.10884	0.3
159.04561	0.4
161.02495	1.0
161.06091	0.7
162.03117	0.2
163.00421	0.3
163.04019	0.7
164.01195	1.0
165.01949	6.5
165.05511	0.4
166.02335	0.5
167.03499	0.2
168.00665	3.1
169.01222	0.8
171.10291	0.6
173.04587	0.4
175.04008	0.5
177.01962	0.5
177.04123	0.3
177.05615	0.4
178.99989	0.2
179.03561	1.0
187.03999	0.4
188.04750	0.3
191.05602	0.3
193.05029	0.2
199.09737	0.3
201.05484	0.3
201.11404	0.4
203.03360	0.2
203.07153	1.5
204.04216	0.2
205.01453	0.3
205.05075	1.9
207.10257	0.2
209.11835	0.4
225.11429	0.4
229.05069	0.4
229.55075	0.2
244.07245	0.2
245.08217	0.3
247.06152	0.3
263.77570	0.2
271.06107	1.1
273.07782	0.2
285.04022	0.2
287.05637	0.2
289.07104	1.1
341.06631	0.2
407.07800	0.2
419.22183	0.6
420.22815	0.2
435.11023	0.3
479.22763	0.2
491.22672	0.3
555.28717	0.2
571.12408	0.2
643.27698	31.4
644.27979	7.7
648.19934	0.2
675.26935	0.6
705.33435	0.2
706.33844	6.7
707.34308	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	705.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
58.00597	0.1
59.01379	2.4
61.98829	3.3
71.01384	2.0
73.02940	0.5
78.07719	0.1
80.02686	1.0
81.03452	1.0
81.07029	0.2
83.01377	0.6
83.05032	4.3
84.02174	0.7
84.05370	0.2
85.02953	0.4
87.00877	0.6
88.98824	0.5
89.02440	1.2
95.01437	0.2
95.05036	0.7
98.20735	0.3
101.02447	1.4
109.06612	0.2
109.96867	0.2
113.02471	1.0
119.03491	0.4
125.02458	0.3
125.06083	0.5
125.09689	0.2
135.08180	0.7
137.02374	0.1
145.05078	0.2
147.11819	0.3
151.00436	0.2
153.81961	0.1
161.04555	0.5
163.11313	3.2
165.12849	2.1
169.12267	0.2
171.10303	0.9
179.05576	0.3
180.92368	0.2
181.12352	0.5
191.10765	0.7
208.20416	0.2
209.11832	100.0
210.12167	7.3
225.11252	0.2
227.12885	15.2
228.13162	0.9
235.08217	1.9
247.13399	0.4
253.09283	5.4
254.09659	0.2
271.05978	0.3
445.20639	1.9
446.21124	0.3
453.30240	0.2
483.31088	0.7
637.32660	0.6
638.32043	0.2
643.27460	0.2
655.33344	0.2
687.32867	0.2
705.18604	0.7
705.33368	0.2
706.18549	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20874	0.2
57.03436	0.4
58.00586	0.7
59.01377	9.9
59.01677	0.5
65.03973	0.3
69.77905	1.2
71.01386	9.3
72.01699	0.2
72.99315	0.9
73.02948	0.7
75.00906	0.3
78.95907	0.2
83.01401	0.5
85.02953	1.8
86.50078	0.2
87.00893	1.6
89.02451	14.3
93.03467	67.8
94.03790	2.7
95.01379	0.3
97.02930	0.2
98.19755	0.2
101.02455	5.3
106.73543	0.2
107.05075	0.2
108.02185	2.5
109.03009	1.0
110.10493	0.2
113.02453	4.0
114.02826	0.3
119.03522	6.5
119.04326	0.4
119.04942	0.3
121.02972	0.6
125.02448	0.3
131.03542	0.7
133.02943	0.4
135.04588	0.3
137.02460	100.0
138.01819	0.3
138.02794	4.3
143.03508	2.0
144.04558	0.3
145.04875	0.2
149.02426	1.1
149.04562	0.6
151.04033	0.3
152.01164	2.4
153.01991	1.4
159.06607	0.2
161.04585	2.8
165.01889	0.5
167.03613	0.3
173.04547	0.8
175.03896	0.2
177.01944	11.7
178.02296	0.9
179.03557	0.9
179.05618	8.3
180.04283	0.4
180.05959	0.3
191.03612	0.2
191.05623	1.0
192.04294	5.1
193.04767	0.4
194.05867	0.2
195.02997	1.0
195.06648	2.0
207.06630	3.0
210.05417	1.4
225.07687	3.2
279.10861	0.6
299.07712	6.6
300.08032	0.7
309.11981	1.1
315.07190	4.7
316.07620	0.4
346.08963	0.2
351.07263	0.3
357.11942	0.8
387.12955	9.3
388.13245	1.0
405.13992	0.7
434.55383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.0
60.32892	1.9
61.98831	100.0
69.17097	2.1
71.01394	13.2
71.58474	3.9
78.95906	4.6
82.01263	2.0
85.02916	2.3
89.02446	3.2
101.02415	3.2
106.07568	2.0
109.06604	3.0
137.33119	2.0
152.99573	2.8
162.50456	2.4
163.11259	3.8
171.10255	3.2
195.13901	6.5
197.11853	4.2
205.12329	4.7
207.10291	6.7
209.11816	78.1
210.12180	4.6
211.13376	11.3
223.13396	97.9
224.13760	8.1
225.11301	4.4
227.12889	24.6
228.13249	3.0
235.08171	6.2
253.09262	9.4
265.14453	2.1
445.20474	2.4
459.22427	25.0
460.22678	3.8
527.54535	2.7
651.34100	12.9
652.34961	3.0
669.34912	3.5
688.29169	2.2
705.32703	61.0
706.32928	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.2
61.98829	6.4
69.03458	2.1
70.24266	1.0
70.24689	2.6
71.01409	0.9
71.05009	3.0
78.95908	87.3
96.96966	7.1
98.19834	0.6
114.70387	0.6
125.09732	1.0
128.35422	0.5
134.98560	1.2
141.83759	0.6
150.98051	1.8
151.11308	0.9
152.99602	94.8
153.12865	1.8
153.99992	1.4
161.09758	1.6
169.12405	1.1
171.00655	13.6
179.10773	6.4
180.11037	0.6
197.11835	65.4
198.12196	4.6
221.01663	0.6
223.09714	2.8
227.03236	2.7
241.10812	41.5
242.11070	2.8
245.04343	1.0
253.21715	1.1
255.23242	1.7
277.21716	21.9
278.22046	2.2
315.14407	0.8
377.09982	7.2
395.11090	1.3
403.30679	0.6
410.57513	0.6
451.13748	10.7
452.14072	0.9
469.14786	32.1
470.15207	3.9
490.75980	0.7
604.02679	0.7
631.32465	0.9
705.36298	100.0
706.36505	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	705.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54222	0.1
55.01876	0.3
57.03446	0.3
58.00586	0.2
59.01376	2.6
61.98828	100.0
69.23956	1.8
71.01384	3.1
73.02965	0.5
73.29758	0.1
74.11987	0.2
78.95908	0.2
80.02699	0.5
81.03485	0.4
83.01387	0.5
83.05030	1.9
84.02177	0.5
85.02965	0.7
87.00896	0.7
88.98824	0.3
89.02455	1.6
93.03463	0.2
95.01413	0.2
95.05053	0.3
96.35296	0.2
97.02985	0.2
97.06601	0.3
98.19912	0.2
98.60761	0.1
99.00938	0.2
101.02451	2.1
109.06616	0.3
111.08179	0.3
113.02448	1.1
114.76064	0.1
115.04018	0.2
119.03541	0.2
125.02543	0.3
125.06046	0.3
131.03510	0.2
133.05104	0.2
135.08223	0.2
143.03566	0.2
145.05154	0.2
147.62088	0.2
152.99550	0.2
161.04573	0.8
163.11314	1.7
165.12874	3.1
165.14166	0.3
167.23450	0.1
171.10263	0.4
173.94666	0.2
179.05646	0.2
181.12381	0.2
183.13910	36.1
184.14261	2.2
191.10738	0.2
197.11812	0.8
198.12201	0.5
199.12331	0.2
207.10297	0.3
209.11830	22.9
210.12175	2.1
211.13525	0.3
225.11374	0.4
227.12880	3.5
228.13200	0.3
235.08246	1.1
253.09283	2.2
419.22931	0.2
445.20950	0.5
463.21967	1.2
464.22031	0.2
501.32031	0.2
515.31702	0.2
606.95178	0.2
616.08942	0.2
655.34009	0.4
656.33435	0.3
673.34576	35.5
674.34924	8.5
705.37268	3.0
706.37415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93184	0.1
57.09911	0.1
59.01373	0.3
60.60308	0.1
61.98829	100.0
62.98532	0.2
63.49649	0.1
71.01388	0.7
71.63367	0.2
72.99321	0.1
73.02950	0.1
77.36948	0.1
78.95905	1.1
83.05032	0.1
88.74957	0.1
88.98820	0.2
90.89290	0.1
91.00751	0.1
96.96999	0.1
101.02524	0.1
109.06639	0.2
113.02441	0.1
119.06460	0.1
152.99631	0.4
163.11316	0.2
171.10330	0.1
174.08246	0.1
181.12109	0.1
183.13953	0.2
197.11890	0.1
199.13467	0.1
207.10292	0.5
209.11873	0.7
211.13406	1.2
211.15190	0.1
225.11357	0.4
227.12943	0.2
253.09448	0.1
398.57333	0.1
499.30667	0.2
655.33118	0.1
673.33929	0.3
685.38934	0.1
705.37061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58300	0.1
54.28872	0.1
55.63653	0.1
59.01384	0.3
61.98831	100.0
62.98535	0.3
71.01389	0.3
78.95915	1.3
98.19922	0.2
109.06596	0.1
129.65181	0.1
152.99684	0.6
153.00758	0.1
158.03044	0.1
171.10307	0.2
191.05952	0.1
209.11818	0.4
210.12312	0.2
211.13495	0.4
212.13773	0.3
213.14049	0.1
225.11401	0.2
227.12921	0.1
277.21793	0.2
295.23093	0.1
464.61230	0.1
494.17734	0.1
704.40875	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57483	0.2
55.73259	0.2
57.03448	2.8
59.01385	1.2
62.69920	0.2
69.03462	0.5
69.43568	1.4
69.43991	0.4
71.01397	0.9
73.02955	0.3
75.00874	0.2
76.83463	0.2
77.03975	0.2
80.02666	0.4
81.03462	2.6
83.01389	3.1
85.02947	0.5
87.00894	0.3
89.02454	1.0
93.03462	1.6
94.80524	0.2
95.01402	0.7
95.05032	3.1
96.02222	0.2
97.02956	6.1
99.00883	0.2
99.04520	0.6
101.02453	0.5
105.03466	0.2
107.05050	0.3
108.02203	1.4
109.02966	23.6
110.03294	0.8
111.04575	0.4
113.06049	0.2
116.92863	0.3
117.03431	0.4
119.05037	0.2
120.02201	0.2
121.02971	6.4
122.03840	0.9
123.00934	0.3
123.04539	15.9
124.00801	0.2
124.01669	0.3
124.04867	0.6
125.02460	15.2
126.02782	0.5
129.01910	0.2
131.05048	0.3
133.02888	0.4
135.04529	1.8
137.02457	9.5
137.05986	0.2
138.03162	0.8
139.04031	3.4
145.02950	1.1
146.03722	1.1
147.04538	0.6
149.02477	4.1
149.04527	0.3
149.06001	0.2
150.03258	1.3
151.04030	8.6
152.01132	0.3
152.04381	0.4
155.10757	0.4
157.06636	0.3
159.04506	2.6
160.05301	1.6
161.02469	1.1
161.06097	4.8
162.03271	1.5
163.04033	1.3
164.01160	3.9
164.04803	0.2
165.01936	3.9
166.02693	0.4
167.03532	1.5
173.04700	0.2
173.06088	1.1
174.03223	0.8
175.04028	2.4
175.07617	1.9
176.04401	0.3
177.04100	0.4
177.05576	0.8
179.03511	5.8
180.04021	0.4
185.05997	0.9
187.04016	5.0
188.04785	3.5
191.05652	1.5
199.07655	0.7
201.05589	0.9
201.09254	0.2
202.06343	1.9
203.07147	13.2
203.34154	0.2
204.07478	1.2
205.05049	7.5
206.05388	0.8
212.04781	0.7
217.05110	0.4
217.08656	0.8
221.08179	3.3
222.08479	0.2
227.07094	2.1
228.07542	0.3
229.05110	0.5
230.05888	0.7
231.02988	0.7
243.06490	0.2
245.08177	17.4
246.08450	1.4
247.06096	1.3
271.06030	0.8
272.06415	0.2
289.07159	100.0
290.07504	9.1
293.08630	0.3
303.05167	0.3
319.13873	0.4
406.27231	0.2
415.06961	0.2
415.12454	0.5
653.16492	0.2
705.27081	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.5
60.01713	0.1
61.98828	100.0
62.98530	0.1
70.02391	0.3
70.02814	0.1
75.06848	0.1
78.95929	0.1
121.63840	0.1
126.82094	0.1
139.27902	0.1
198.39136	0.1
209.11856	0.1
279.23315	0.1
378.37790	0.1
428.66895	0.1
483.15164	0.2
484.15393	0.3
498.16541	0.2
543.16791	0.1
557.18640	0.2
558.19000	0.7
559.19360	0.1
575.15558	0.1
644.22583	0.4
704.23334	2.5
704.40643	0.1
705.22687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43442	0.6
57.03447	1.8
59.01382	8.9
61.98832	100.0
69.44488	2.5
69.44908	3.7
71.01399	5.4
72.99310	0.7
75.00858	0.7
78.95911	2.0
80.05090	2.4
81.03452	1.0
83.01396	1.3
83.05053	1.7
85.02957	1.4
87.00891	1.6
88.98810	1.9
89.02456	3.3
90.39248	0.6
93.03477	1.1
94.06638	1.3
95.05054	0.7
96.96004	0.8
97.02962	0.9
97.06647	0.6
98.20660	1.4
99.00886	0.8
101.02470	2.9
106.06653	1.5
107.03801	0.7
109.06612	0.8
113.02458	1.7
116.92898	1.4
118.89474	0.6
119.05090	1.0
121.05360	1.2
122.06126	13.8
122.06925	1.0
123.04527	0.9
125.02473	2.1
132.04597	1.0
134.06177	3.8
135.04530	0.8
137.02451	1.5
145.03024	1.1
151.00417	1.7
151.04034	1.3
152.07187	18.5
153.07506	0.9
160.04137	0.8
160.06493	2.9
161.04565	0.8
163.11292	1.4
165.12929	2.2
169.12315	0.9
171.10338	2.3
174.05652	1.5
178.99898	0.7
181.12381	0.9
183.13905	6.4
190.05124	1.6
197.10280	1.0
197.11752	3.5
198.12276	0.9
199.13533	0.7
201.11464	0.7
207.10312	2.6
209.11848	18.2
210.12219	2.3
211.13463	3.7
211.34285	0.8
213.10324	11.0
225.11314	2.8
226.11250	1.9
227.12929	2.7
235.08250	0.9
239.11882	7.3
240.12248	0.9
241.13402	6.3
245.12944	3.1
253.09315	2.2
258.37048	0.7
265.09970	1.1
271.06198	1.8
277.09845	0.7
285.12451	26.8
286.12930	3.5
287.05673	1.3
289.07162	1.2
293.12842	3.5
295.10898	1.7
307.19257	1.0
313.12192	1.4
316.14914	1.1
323.10486	3.7
325.12024	1.8
343.13208	1.3
355.13226	1.8
356.17783	0.9
357.14771	1.9
358.15674	9.1
359.16257	1.9
384.13599	1.3
385.13837	1.0
397.14124	1.0
400.16663	8.1
401.16931	1.7
412.16736	2.8
415.14291	0.7
461.29288	1.9
523.23273	3.1
524.24036	0.8
537.24640	0.9
565.11365	1.0
565.24664	27.8
566.24951	5.7
609.23694	45.7
610.23914	12.6
641.26276	30.5
641.37006	1.5
642.26605	6.6
669.29797	1.0
672.34033	1.2
673.34570	12.9
704.36139	2.2
705.37067	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	703.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.5
59.01380	2.8
61.98828	11.6
67.37686	0.6
69.03459	4.1
70.62079	1.9
71.01379	2.3
72.12469	0.4
73.02954	0.9
75.00859	0.6
81.03458	1.3
83.01392	2.3
85.02967	1.3
87.00901	0.7
87.04530	0.8
88.98817	0.7
89.02439	1.2
93.03480	0.6
95.01385	3.0
96.96033	0.5
97.02967	3.9
97.16125	0.5
101.02446	1.2
107.01405	2.1
107.28223	0.5
108.02187	1.2
109.02979	2.8
111.00879	0.6
113.02450	0.8
121.02963	1.0
123.00894	9.6
123.01749	0.7
123.04524	1.4
124.01681	22.5
125.02459	66.9
126.02796	2.5
135.04507	0.8
136.01585	0.6
137.02454	4.6
138.83769	0.5
139.00386	4.6
139.04057	0.7
149.02460	1.5
149.99596	32.1
151.00414	5.8
151.04074	1.2
152.01167	1.2
153.01941	2.2
155.10797	1.1
161.02504	1.0
161.04590	0.5
163.03947	0.6
164.01219	1.0
165.01947	2.6
167.03523	2.6
168.00655	69.7
169.01433	9.0
171.10272	0.9
175.04060	0.5
177.01924	0.7
179.03523	1.0
181.01454	1.0
182.99358	1.5
193.01466	0.8
199.09918	0.6
201.11342	4.3
271.06067	0.8
285.03906	0.9
289.07236	0.8
313.05643	2.3
329.14063	0.9
371.24347	0.6
389.25482	1.2
469.17184	1.7
485.17047	0.5
515.17651	10.4
516.17969	1.5
703.31989	100.0
704.32349	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	703.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
57.03445	1.3
59.01375	18.7
60.99314	0.7
61.98829	63.5
65.00333	0.9
69.03454	1.1
71.01392	11.5
72.99300	1.3
73.02938	2.3
75.00880	1.5
78.95901	2.4
80.02680	2.8
81.03458	3.5
83.01394	2.7
83.05038	7.8
84.02159	1.1
85.02942	3.3
87.00883	1.5
88.98360	0.6
88.98805	3.9
89.02454	6.4
93.03474	2.2
95.01390	1.5
95.05045	0.7
96.96012	1.2
97.02971	4.4
97.06576	1.0
99.00881	2.3
101.02444	8.5
102.33698	0.7
107.01420	1.2
107.05022	1.3
109.02932	1.6
109.06605	23.3
110.03750	0.9
111.00908	0.7
113.02486	3.9
116.92873	1.1
117.03446	1.3
119.03517	1.3
119.05023	4.4
121.02965	2.0
121.06612	1.5
122.03651	0.6
123.04536	2.1
123.08161	0.7
125.02448	2.8
125.09727	2.8
129.02023	0.8
135.04520	1.5
135.08173	3.6
136.05380	1.2
137.02470	2.0
142.02748	1.6
145.02954	6.0
145.05014	0.8
149.02504	1.3
150.03268	1.5
151.00406	5.8
151.04021	1.1
153.01953	0.7
161.02426	0.7
161.04561	2.0
161.09718	1.7
163.04028	2.1
163.11299	16.8
165.01904	1.2
165.05484	1.0
165.12869	2.7
169.12410	0.9
171.10242	2.6
175.03836	0.6
177.01929	1.3
179.05571	0.9
181.12364	4.1
185.11882	2.8
189.09274	1.5
191.10779	1.1
195.06674	1.0
197.11809	5.7
201.11333	1.1
203.06917	0.7
207.10263	61.0
208.10597	3.6
209.11824	100.0
210.12154	7.3
210.92220	0.6
211.13402	1.0
225.11314	29.1
226.11662	2.7
227.12872	19.1
227.15147	1.0
228.13008	0.9
231.10237	0.8
235.08134	3.9
243.12473	0.9
247.13318	1.0
249.11186	1.0
253.09276	10.9
254.09445	0.9
263.12888	0.9
265.14365	1.0
271.06110	11.8
272.06406	1.2
281.13956	0.8
285.03802	1.0
287.05515	2.0
289.07104	1.1
299.14966	0.9
399.21689	5.2
405.18344	0.9
417.23007	3.5
418.23444	1.2
443.19281	3.2
444.19281	1.2
445.20679	2.0
461.20248	8.4
463.21613	1.2
497.27496	3.4
520.21173	0.8
529.30585	0.7
606.45648	0.8
609.29974	0.7
625.30652	2.9
626.31171	0.9
635.30853	15.6
636.31055	3.0
653.31842	14.5
654.32153	3.7
667.37134	3.6
671.32965	24.5
672.33405	9.7
685.31464	1.9
703.30743	3.3
703.41357	0.9
704.36829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	3.5
58.00573	0.8
59.01375	8.7
59.15986	0.7
59.99643	0.6
61.98848	1.1
69.03458	3.7
69.91880	3.0
69.92283	1.2
71.01382	12.0
72.99300	2.4
73.02948	3.0
73.17410	0.5
75.00874	23.4
75.35295	0.6
81.03449	0.9
83.01385	1.0
83.10849	0.5
85.02960	7.6
87.00877	6.8
87.04522	3.0
89.02451	5.1
93.03468	1.1
95.01381	0.7
97.02962	4.3
99.00886	3.4
99.32346	0.6
101.02443	4.9
111.00804	0.6
113.02467	2.0
117.01884	0.5
119.03512	1.3
121.02986	1.1
125.02544	0.8
126.46362	0.6
129.01955	6.6
131.03510	1.0
135.08194	1.0
137.02444	0.7
137.09734	9.7
141.01918	2.0
155.10793	79.4
156.11127	3.9
159.02959	1.1
161.04564	1.0
163.06096	1.6
169.12352	1.1
177.04053	20.7
178.04326	0.9
179.05577	0.7
181.08665	2.9
191.05592	1.2
199.09761	29.1
200.10139	2.2
213.11336	2.3
241.10799	3.3
325.11307	1.6
359.13556	3.0
371.09705	0.7
377.14404	1.4
435.10968	0.9
461.84671	0.6
507.20599	1.9
525.21814	9.1
526.22351	2.1
667.24670	7.3
668.24652	1.2
703.26794	100.0
704.27136	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	703.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36168	0.6
57.03427	1.6
59.01376	6.1
61.98827	36.7
65.00319	0.6
69.03455	4.5
69.65353	0.5
71.01384	5.5
71.64590	0.9
72.99302	0.8
73.02927	1.9
75.00861	1.3
81.03462	1.9
83.01385	3.4
85.02931	2.7
87.00865	0.9
88.98813	1.0
89.02435	2.6
93.03468	1.9
95.01406	3.5
95.04998	0.6
96.45660	0.5
96.55079	0.6
96.96010	1.1
97.02959	4.0
99.00895	0.5
101.02448	2.4
107.01391	2.6
108.02174	2.1
109.02991	3.5
113.02453	2.1
113.06178	0.6
115.00381	1.5
116.92876	2.3
119.03551	0.8
119.05061	1.6
121.02962	2.1
123.00896	12.3
123.04536	2.8
124.01682	31.7
125.02462	84.0
126.02781	2.6
133.01430	4.2
133.02940	0.9
134.03804	0.9
134.06023	0.6
135.04550	2.1
136.01656	0.8
137.02454	7.9
138.02855	0.7
139.00365	1.3
139.04018	1.9
145.02951	1.9
149.02467	2.6
149.05968	0.7
149.99600	41.1
151.00397	7.5
151.04027	2.9
152.01094	1.0
152.94086	0.6
153.01915	1.6
155.10782	1.3
161.02457	3.0
161.04588	1.2
163.04005	1.7
164.01146	1.0
165.01942	1.9
165.12883	1.0
167.03499	4.2
168.00653	88.5
169.01418	13.8
170.01857	0.7
173.04555	0.8
173.53899	0.6
174.03256	0.9
175.03987	1.1
177.01898	1.2
179.03560	1.8
183.13879	1.3
185.11803	0.6
187.04065	0.6
191.03479	0.9
191.05682	0.5
193.01466	0.7
195.03157	0.6
201.11478	0.7
205.08728	0.6
206.24623	0.5
209.11702	0.8
211.02534	1.1
211.07655	0.8
215.07269	0.9
229.44720	0.6
239.11978	0.5
243.03021	0.7
243.16096	0.8
247.06180	0.6
255.03059	1.6
256.03387	0.6
271.06097	3.1
283.02637	1.1
284.03250	1.3
285.03998	4.6
286.04218	0.7
287.05679	2.0
288.06189	0.7
289.07236	1.4
301.07303	1.1
303.05191	1.2
313.05753	1.4
331.06888	0.7
371.24292	0.6
389.25342	3.6
523.17981	1.2
541.18652	2.9
563.62714	1.7
564.12708	0.9
643.22467	1.0
657.32098	0.8
676.62756	0.7
703.32697	100.0
704.33154	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
57.87141	0.1
59.01377	1.0
61.98829	100.0
62.98540	0.1
65.00329	0.6
71.01389	1.0
71.35114	0.2
71.35423	0.1
71.54075	0.1
72.99358	0.1
73.02956	0.2
75.00870	0.2
76.01625	0.1
78.95948	0.2
81.03432	0.1
83.01411	0.4
85.02963	0.5
87.00898	0.2
88.98824	0.4
89.02465	0.5
89.63219	0.1
93.03463	0.7
95.01424	0.1
96.96057	0.2
97.02953	0.2
99.00933	0.2
101.02479	0.4
107.01397	1.0
108.02220	0.2
109.02979	0.5
109.06588	0.2
113.02480	0.4
116.92881	0.6
117.92892	0.1
119.03521	0.3
119.05025	2.1
120.05343	0.3
121.02982	0.4
123.00853	0.1
123.04557	0.4
124.01704	0.2
125.02467	1.0
135.04544	0.4
135.08212	0.2
137.02467	0.7
137.09749	0.4
138.01968	0.4
145.02980	0.7
146.03310	0.2
149.02454	0.3
150.03288	0.2
151.00389	3.6
151.03986	0.3
152.00800	0.3
152.06334	0.1
153.02019	0.3
155.10799	1.0
159.04544	0.2
160.01730	0.1
160.05348	0.3
161.02463	0.4
163.04021	0.3
164.01172	0.2
165.01904	0.3
165.05505	0.1
167.03488	0.3
168.00706	0.3
169.01372	0.2
171.10266	0.2
175.00389	0.3
175.07689	0.3
177.01967	0.4
177.04088	0.2
177.05533	0.2
179.07114	0.2
179.10785	0.3
190.02783	0.2
193.01440	0.1
193.05164	0.2
197.11925	0.2
199.09818	0.6
201.11458	0.1
205.05054	0.4
206.66226	0.1
207.10237	0.2
209.11891	0.6
225.11353	0.2
227.07092	0.2
241.10876	0.1
271.06097	8.3
272.06451	2.0
283.11896	0.3
285.04037	0.2
287.05710	0.5
288.06061	0.2
289.07101	0.3
301.07114	0.2
329.13962	0.7
355.15405	0.1
367.10342	1.0
368.10486	0.2
371.24484	0.2
382.10501	0.1
447.07477	0.1
477.19287	0.2
503.33780	0.2
540.23602	0.1
541.24500	0.1
593.03186	0.1
639.16870	1.3
640.17603	0.3
660.99292	0.1
693.73267	0.1
701.36688	0.3
702.30188	0.5
703.30029	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	701.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	15.1
61.98833	100.0
66.37615	7.2
69.24497	25.2
69.24913	60.6
71.15490	7.8
78.05195	8.0
78.95891	36.9
111.07040	7.0
132.10182	9.2
152.99582	23.3
155.08087	7.6
195.14008	9.7
197.11877	13.5
207.10100	10.9
209.11845	14.6
211.13429	38.5
223.13409	79.8
225.11298	19.6
226.11533	9.7
231.92035	9.2
440.76950	7.5
459.22470	20.6
665.35516	11.4
701.32251	79.2
702.33044	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	701.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
57.03457	0.8
59.01379	6.1
61.98829	23.3
68.76579	0.5
69.03136	0.6
69.03460	2.7
71.01390	3.9
71.05030	0.9
71.63382	0.8
72.99315	0.6
73.02968	1.0
78.95933	2.0
80.02711	1.7
81.03481	1.7
83.05030	4.8
84.02212	0.7
85.02950	1.3
85.06567	0.6
88.98813	0.9
89.02439	4.2
93.03455	0.8
93.24506	0.6
94.59038	0.5
95.05016	1.2
101.02464	3.9
109.06625	0.6
111.08198	1.2
113.02469	2.5
119.03537	1.4
120.49530	0.5
135.08159	0.8
147.11781	0.6
149.09698	0.5
151.03918	0.7
151.06369	0.6
152.99629	0.9
161.04614	1.8
163.11304	3.1
165.12859	1.6
167.10732	2.9
169.12373	1.2
171.10294	2.7
179.05605	1.3
179.10783	1.3
179.14471	3.0
191.10732	1.0
195.13904	9.9
196.14305	0.8
197.11832	0.9
205.12346	8.9
206.12688	0.7
209.11827	100.0
210.12172	7.1
211.13405	5.5
223.13385	87.1
224.13750	6.2
227.12900	16.9
228.13220	1.2
229.99109	0.6
235.08250	4.2
253.09286	9.9
261.14923	2.2
264.52692	0.5
275.63239	0.6
430.21234	0.5
441.21133	1.1
445.20554	2.0
459.22333	11.6
460.22665	2.0
633.32336	1.0
651.33844	2.3
669.34106	0.6
682.82361	0.5
683.33569	0.8
701.35608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
57.03445	4.3
58.00599	1.1
59.01086	1.3
59.01375	16.3
61.98818	1.2
69.03446	4.2
69.29555	3.3
69.29989	4.4
71.01383	20.1
72.99302	4.4
73.02947	4.1
75.00874	21.0
83.01395	1.1
84.02202	0.8
85.02959	14.2
87.00877	4.4
87.04521	1.8
88.46771	0.9
89.02446	6.4
93.03468	1.7
97.02965	6.0
99.00877	5.7
101.02449	9.9
111.00899	1.0
111.04511	1.0
113.02469	3.9
115.04033	1.2
119.03522	2.5
121.02975	1.7
121.87274	0.7
125.02470	2.4
129.01988	9.4
133.10234	1.2
135.08174	2.5
137.02437	2.1
137.09737	9.9
141.01956	4.4
152.07257	0.9
153.09229	6.0
155.10794	95.8
156.11115	5.9
159.03030	3.0
169.12299	0.8
173.04645	1.0
177.04062	17.8
178.04356	0.8
179.05655	0.9
181.08711	2.7
191.05617	1.8
192.65024	0.8
195.05098	3.0
197.08197	1.1
199.09764	41.5
200.10123	2.3
213.11346	0.9
221.59717	0.7
241.10796	3.6
253.10605	0.7
271.11993	1.4
299.07788	1.0
341.12463	1.3
343.13864	3.0
359.13644	8.2
359.32236	0.7
361.15219	0.9
377.14532	3.0
440.27740	0.7
505.19727	0.9
521.18695	13.2
522.19061	2.5
523.20270	16.8
524.20593	2.0
539.20319	1.0
540.20898	0.8
594.74677	0.7
665.22339	3.3
701.25244	100.0
702.25586	20.2
702.34833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87997	1.0
58.21383	0.9
59.01378	100.0
59.69728	1.0
61.98823	7.6
70.80171	3.2
78.95922	5.4
84.20647	0.9
109.06579	1.2
118.77406	1.0
121.02888	1.0
137.66878	1.0
152.99620	2.1
186.88853	1.0
207.10280	1.7
225.11279	1.4
255.23277	3.5
277.21725	2.5
295.22836	2.1
407.11179	1.0
438.13312	4.0
439.13669	1.5
451.14514	1.4
452.14514	2.1
481.08231	2.3
481.15237	38.8
482.15527	10.6
495.16815	8.7
496.17007	3.1
497.18307	3.5
498.18533	1.8
509.14038	1.3
514.14899	1.8
535.16437	1.3
540.16315	10.3
541.16797	1.9
554.18280	2.7
555.18927	66.6
556.19147	19.2
567.18964	1.7
569.20813	1.6
572.15588	17.6
573.15967	5.9
586.17065	4.1
587.16907	1.9
600.19263	1.5
609.19458	1.2
611.54053	1.2
641.22668	31.1
642.22644	11.7
658.19763	1.5
701.24799	71.4
702.25110	28.9
719.66858	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32326	0.7
57.03447	4.2
59.01099	0.7
59.01379	12.3
66.15451	0.6
68.99786	0.9
69.03457	6.0
71.01383	17.7
71.09663	1.5
71.10004	0.8
72.99308	2.4
73.02953	3.4
75.00874	30.6
83.01385	1.6
84.02181	1.1
85.02953	8.6
87.00883	8.4
87.04510	2.0
89.02435	4.6
95.01388	1.2
97.02954	9.5
99.00872	4.3
101.02448	6.5
111.00868	1.0
113.02455	2.4
119.03525	0.9
121.02958	2.8
125.02423	0.8
129.01950	10.9
135.08136	1.4
137.09740	10.0
139.11322	0.8
141.01944	6.3
146.09721	0.7
155.10789	78.8
156.11127	4.5
159.02989	2.4
166.16039	0.6
169.12338	1.6
177.04048	34.9
178.04439	0.9
181.08739	3.5
191.05678	0.8
197.93091	0.7
199.09763	38.8
200.10089	2.3
213.11253	2.0
241.10785	4.9
341.12292	1.6
359.13467	16.9
360.13754	2.5
377.14514	4.2
378.14926	0.7
380.38876	0.7
475.82483	0.8
505.19226	1.7
521.18707	18.2
522.19098	4.1
523.20239	7.0
539.19757	0.7
665.22766	5.7
666.23053	1.3
683.23926	0.8
701.25281	100.0
702.25629	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	701.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79831	0.4
59.01376	100.0
59.26389	0.4
69.48777	3.9
82.55390	0.4
91.45826	0.4
93.07763	0.4
93.92239	0.4
116.36077	0.5
177.55310	0.4
214.85217	0.5
270.04074	0.5
386.23929	0.5
423.10626	0.5
437.12448	0.6
438.13239	3.5
439.13651	1.3
452.14795	1.7
453.15991	0.7
467.13516	0.8
481.15167	30.1
482.15585	9.0
495.16788	11.3
496.17191	3.2
497.18246	5.3
498.18658	1.5
514.15466	2.1
515.15289	0.6
523.16016	0.7
525.14185	1.3
526.14264	0.6
539.15790	1.7
540.16333	8.8
541.16809	2.8
554.18365	1.8
555.18921	49.0
556.19116	14.5
567.19153	0.8
572.15576	13.3
573.15900	3.4
586.17145	5.2
587.17291	1.7
609.20166	1.1
627.21313	1.1
641.11908	1.0
641.22681	24.0
642.22858	7.6
701.24841	68.9
702.25110	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.5
59.61843	0.7
61.83855	0.8
61.98830	11.8
69.03421	1.0
69.24026	0.6
71.01371	2.0
71.65300	1.0
72.00912	2.6
74.02486	2.2
74.77015	0.8
78.95912	1.7
82.06634	0.8
83.01395	0.7
85.02956	1.0
86.25549	0.8
87.05640	6.1
88.98798	0.7
89.02467	2.4
93.03471	2.7
97.00443	0.9
97.02932	0.9
101.02446	2.5
110.06113	1.1
111.02034	1.0
111.08177	0.9
113.03574	12.6
113.07220	2.9
115.08809	1.1
119.05032	8.2
123.04516	0.8
125.07224	1.6
125.09729	1.8
127.05154	1.7
127.08753	1.4
127.11289	0.8
134.06180	1.6
137.03577	0.7
141.06741	3.6
145.06241	1.1
151.08784	0.7
153.06717	10.7
155.08183	0.8
163.04021	7.8
164.04469	0.8
165.12842	1.1
166.07484	3.1
167.08261	0.9
168.13896	1.2
169.09827	1.3
169.12317	1.0
171.04131	2.3
171.10284	56.5
172.10614	2.0
180.06680	32.8
181.06996	2.3
181.13521	1.0
186.12454	2.0
192.10307	2.4
193.13396	2.1
197.11865	12.9
198.08804	1.7
198.12163	1.2
200.57040	0.8
207.11485	4.6
208.98329	0.7
209.11700	3.5
209.13065	4.0
211.13115	6.1
215.08261	1.2
218.16533	1.1
223.13422	5.2
233.09288	2.2
233.11481	1.0
234.12526	2.3
235.08292	3.6
244.27048	0.9
247.20654	0.9
251.10356	7.4
252.00673	0.8
253.09268	5.5
262.15588	10.8
263.15979	1.1
277.08292	3.0
289.10693	0.9
291.19647	7.4
292.19983	1.2
293.21191	1.7
306.14798	1.2
306.18289	1.5
309.20737	15.2
310.21078	1.6
332.16138	2.4
376.15149	0.9
381.22839	1.0
401.18021	0.9
403.25504	0.9
443.23077	1.4
462.41080	0.7
463.31396	0.8
477.35892	1.1
487.21967	100.0
488.22299	18.2
541.02405	0.8
656.36682	39.8
657.37054	11.8
699.37177	7.5
700.37952	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	699.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03440	3.4
59.01093	2.5
59.01376	36.3
61.98829	87.8
65.00330	10.6
65.03957	1.7
69.09644	1.6
69.93895	1.5
71.01381	20.3
71.50748	3.2
72.99334	2.4
73.02963	3.7
75.00851	1.9
78.95918	3.3
81.03463	2.7
83.01378	8.3
83.05034	5.2
84.59499	1.5
85.02950	5.9
85.06627	1.7
87.00876	4.3
88.98807	2.4
89.02456	7.8
89.02951	1.4
93.03458	2.0
93.38142	1.7
95.01397	1.7
95.18787	1.9
97.06623	3.5
99.00870	1.9
101.02433	10.6
107.01392	19.0
109.02979	4.3
109.06593	2.4
111.04556	1.5
111.08152	3.7
113.02447	7.8
116.92849	3.7
119.03503	2.3
119.05047	4.6
121.02965	2.3
123.04552	2.9
124.01676	1.9
125.02483	9.2
125.09740	10.5
133.06532	2.2
135.04533	52.9
135.08177	1.9
136.04842	2.9
137.02527	1.8
137.09723	3.1
145.02997	3.0
145.05061	3.0
150.03244	3.6
151.00386	94.3
151.03993	2.6
152.00676	3.7
153.65668	1.5
161.02467	2.3
161.04520	3.7
165.01942	2.7
169.01439	2.4
171.10274	41.4
172.10608	2.7
175.00327	3.8
205.15919	3.3
209.11858	10.7
211.13406	12.9
215.14377	7.6
221.15552	2.6
231.13916	4.1
233.15485	22.2
234.15680	1.7
235.08215	5.2
249.14949	14.9
250.15277	2.3
253.09158	4.0
271.06100	8.3
272.06378	3.2
287.05594	100.0
288.05948	7.4
313.25638	1.9
341.24841	3.4
367.22855	4.1
375.25446	3.9
385.23816	17.7
386.24243	3.4
403.24911	23.0
404.24930	3.0
407.19421	2.7
421.26004	6.2
451.19617	2.3
505.34976	2.8
515.31488	2.0
611.34344	4.8
621.32916	70.0
622.33136	18.0
639.33923	67.7
640.34222	19.2
699.27466	6.5
700.27295	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	698.159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89715	0.4
57.03445	0.8
59.01374	3.7
61.98825	18.8
71.01379	4.0
71.58936	0.4
71.59393	0.5
72.99311	1.0
75.00879	1.7
75.30239	0.4
83.01402	1.1
83.05083	0.7
85.02955	2.8
87.00886	0.9
88.98803	0.7
89.02456	1.8
93.03471	1.0
97.02953	0.7
99.00899	0.5
101.02450	2.5
107.01371	0.8
109.02968	2.0
113.02464	1.5
116.92876	1.3
117.92890	0.6
119.03545	0.8
119.05019	1.5
120.05362	0.4
121.03007	0.8
122.03788	0.5
122.17689	0.5
123.04529	1.1
125.02445	1.7
129.01958	0.5
133.02968	0.6
134.06119	0.7
135.04529	0.6
137.02473	1.3
145.02953	1.2
145.05052	1.2
151.00389	3.9
152.01064	0.5
155.10866	0.5
161.02505	0.7
163.00377	1.4
163.04037	1.3
165.01942	0.9
171.10277	0.5
173.04535	0.7
173.06047	0.6
177.04041	0.6
178.66982	0.5
178.99902	0.6
188.07103	0.5
191.01915	0.5
191.05679	0.5
193.05081	0.5
199.04022	1.1
201.11333	3.8
202.11667	0.9
211.03986	1.0
214.08217	0.5
215.03473	0.9
226.02687	0.6
226.90303	0.5
227.03510	1.5
229.05040	1.8
242.02144	0.4
243.02890	2.0
245.04494	0.5
250.42133	0.4
253.09721	0.5
255.02980	3.5
257.04395	0.5
271.02441	33.8
272.02774	3.3
283.02493	0.8
299.01959	70.2
300.02472	12.4
301.03510	42.0
302.03891	3.5
347.17233	0.8
446.08502	22.3
447.09146	9.4
448.09424	0.8
489.10379	3.7
501.13879	0.7
535.31158	1.1
537.32959	0.6
635.16241	100.0
636.16559	22.6
636.27264	0.8
654.24762	0.5
666.22992	6.3
667.22949	1.5
697.36353	1.9
698.26642	2.0
698.37988	3.1
699.25995	1.7
699.36151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01377	1.8
60.99307	16.5
61.98830	13.2
63.02394	0.1
65.00321	0.5
69.36884	0.7
69.37311	0.9
71.01392	1.2
73.02950	0.3
75.00900	0.2
78.95926	0.3
81.03438	0.2
83.01385	0.8
83.05024	0.2
83.59698	0.1
85.02959	0.7
87.00883	0.7
88.98815	100.0
89.02448	0.8
89.99173	1.3
93.03469	0.7
96.96055	0.2
97.02907	0.2
98.20645	0.3
101.02474	0.8
106.54763	0.1
107.01427	0.8
107.05002	0.2
108.02184	0.4
109.02957	0.7
113.02448	0.6
116.92881	0.6
117.03462	0.4
117.92871	0.2
119.03558	0.3
119.05037	1.5
121.02947	0.3
123.04560	0.5
125.02462	2.0
133.02954	0.4
134.03799	0.3
135.04539	1.8
137.02477	0.8
139.76234	0.2
145.03015	1.1
146.03615	0.2
149.02437	0.2
149.06137	0.3
150.03093	0.2
151.00392	3.4
151.04010	0.5
152.01129	0.3
153.01926	0.5
155.10770	0.4
160.01683	0.4
161.02475	0.9
161.04561	0.2
163.04010	0.7
165.01953	0.4
167.03508	0.4
169.01523	0.2
175.00343	0.2
175.03995	0.4
177.01967	0.3
177.04150	0.2
177.05658	0.4
179.03506	0.2
179.05670	0.3
179.10735	0.3
183.13843	0.2
193.05118	0.3
209.11850	0.7
210.12196	0.2
215.07146	0.2
231.59390	0.2
242.38210	0.2
259.06168	1.1
260.81586	0.2
269.04575	0.3
271.06104	3.0
272.06400	0.3
287.05643	2.3
288.05972	0.2
289.07162	0.4
302.11011	0.2
343.12088	0.3
373.12701	0.2
455.31653	0.2
466.13040	0.2
493.22675	0.3
501.31870	1.1
537.20892	0.4
538.21729	0.2
548.17657	0.2
575.65729	0.2
663.37579	0.6
699.35565	2.5
700.35901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.7
61.98826	17.0
67.49989	1.1
71.01392	1.2
71.59000	1.0
71.59358	1.5
73.02961	2.0
73.67545	1.0
78.95906	34.2
83.05032	1.7
96.96959	2.2
97.02946	1.2
98.84474	1.1
99.00919	1.3
101.44283	1.0
109.06599	6.7
116.92892	1.0
117.93871	1.0
122.00139	3.4
125.06103	1.1
125.09711	3.7
127.11310	4.0
135.08203	1.0
137.09705	1.5
140.01198	13.6
147.32414	0.9
152.99567	3.0
153.09213	1.9
155.10829	2.0
161.02385	1.1
163.11304	5.2
171.10287	100.0
172.10605	5.6
181.08684	0.9
181.12375	2.8
196.03825	11.7
199.09767	28.9
199.13428	1.8
200.10042	1.7
201.11336	14.2
207.10281	21.2
208.10648	1.4
215.12938	1.7
225.11339	30.6
226.11725	2.7
243.12387	7.4
243.23380	0.9
255.23289	78.6
256.23651	7.4
261.13376	5.7
273.47809	1.0
275.32379	1.0
277.21793	4.4
278.22064	1.6
379.40036	1.0
422.15533	1.4
422.52191	1.2
434.26633	1.8
440.17169	1.6
452.27689	10.1
453.29022	1.6
606.37775	22.9
607.38031	3.7
633.38116	1.5
634.36945	3.4
660.38794	7.8
661.38977	1.8
678.39966	14.9
679.40375	4.0
696.40900	10.0
697.40997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2008
Annotation	Prunose I
Peak:m/z	Relative Intensity
57.03441	0.5
58.54341	0.2
59.01377	6.9
61.98830	15.3
71.01382	1.5
71.55986	0.3
71.56355	0.2
72.99306	0.7
73.02948	0.7
73.99914	0.2
78.95908	0.5
83.01396	0.8
84.90111	0.2
85.02963	0.6
87.00880	0.7
88.98809	1.0
89.02451	0.8
91.01933	0.3
92.77195	0.2
93.03471	0.9
95.01390	0.4
96.96037	0.4
97.02930	0.4
99.00929	0.2
99.04530	0.3
101.02469	1.3
107.01375	0.3
109.03000	0.7
113.02472	0.8
113.47070	0.2
116.92879	1.6
117.03483	34.8
118.03796	1.3
119.03500	0.3
119.05044	4.3
121.02987	0.6
123.00880	0.2
123.04518	0.6
125.02480	2.8
126.02827	0.2
127.04020	0.5
131.50079	0.3
132.02190	0.3
133.02972	0.4
134.03783	0.4
135.04543	0.7
137.02443	1.5
137.09648	0.3
143.03514	0.4
145.02971	100.0
146.03302	5.2
147.04478	0.3
149.02498	0.3
150.03285	0.3
151.00404	1.2
151.04022	0.7
152.04391	0.3
153.05524	0.3
159.04562	0.3
160.01692	1.0
161.02417	0.8
161.04613	0.4
163.04028	6.3
164.04396	0.6
165.01939	0.7
165.05534	0.3
171.10338	0.3
175.04010	1.2
177.01955	0.7
179.03510	0.5
179.05685	0.3
181.08743	0.6
187.03972	0.3
193.05014	0.4
197.11775	0.4
205.05035	0.4
209.11888	1.0
211.13490	0.3
215.07150	0.4
217.05069	0.3
225.11229	0.4
271.06088	1.4
285.03946	0.5
287.05551	0.7
289.07156	1.0
325.83566	0.2
341.11066	0.4
383.11841	0.4
394.46106	0.2
395.96939	0.3
397.13318	0.5
425.12857	0.3
453.76382	0.2
467.14487	0.3
475.33667	0.3
499.30692	0.4
595.16901	0.3
610.20514	0.3
613.18396	0.7
632.28949	0.3
637.17889	1.0
655.19037	3.1
656.19519	0.6
661.38409	0.3
696.39661	0.3
697.20081	11.5
697.39587	1.9
698.20148	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	696.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98508	0.1
59.66716	0.1
61.98829	100.0
62.98528	0.2
63.62323	0.1
70.87856	0.2
70.88264	0.1
107.39555	0.1
117.03515	0.1
117.23511	0.1
145.02956	0.5
223.13234	0.1
257.17230	0.1
263.72427	0.1
335.29279	0.1
395.38440	0.1
463.16550	0.1
633.37732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31116	0.1
61.98829	100.0
62.98523	0.3
69.44023	0.2
69.44424	0.7
70.36125	0.1
76.40321	0.1
78.95913	0.2
117.42113	0.1
124.90665	0.1
140.01219	0.1
141.54497	0.1
146.75780	0.1
223.13406	0.7
293.21231	0.6
389.54459	0.1
629.06848	0.1
638.57959	0.1
696.38776	0.5
697.39459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53352	0.2
59.01373	0.4
61.98829	100.0
66.88847	0.2
71.01395	0.2
78.95918	0.5
89.02455	0.2
145.02901	0.3
152.99663	0.3
201.11307	2.1
209.11897	0.2
223.13403	0.4
229.86835	0.3
253.09351	0.5
277.21701	1.3
293.21146	0.5
696.38824	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	696.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
61.98829	100.0
62.98526	0.3
67.95158	0.2
71.01404	0.4
71.63004	0.4
78.24202	0.2
78.95897	0.3
83.26987	0.2
145.02966	0.9
152.99762	0.2
169.07272	0.2
171.10323	1.0
185.11905	0.6
192.16437	0.2
203.22031	0.2
230.47731	0.2
293.21448	0.3
547.32648	0.3
633.38306	0.4
697.25256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
61.98825	4.4
62.96400	0.5
69.43137	0.4
78.95902	19.2
80.02666	2.4
81.03460	2.6
83.05032	8.7
84.02157	2.3
93.03450	0.5
95.05029	1.4
96.96966	0.9
122.00136	1.7
125.06058	0.9
127.11414	0.5
135.08163	1.3
140.01208	7.2
152.99615	2.6
163.11301	7.1
165.12860	4.5
181.12360	0.8
191.10756	1.4
196.03793	4.8
199.13354	4.6
202.26273	0.5
209.11818	100.0
210.12192	7.3
227.12869	23.2
228.13237	1.9
253.09229	0.9
253.31323	0.5
255.23262	56.0
256.23611	5.8
259.15451	1.3
277.21677	4.8
406.16721	0.7
438.18848	1.1
452.27710	4.4
566.85663	0.5
662.40417	16.9
663.40869	3.3
694.43146	59.1
695.43542	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	695.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.1
59.01375	1.1
60.99306	17.5
61.98827	1.4
70.62189	0.4
71.01382	0.9
72.99309	0.2
73.02961	0.3
75.00878	0.5
83.01390	0.2
85.02966	0.6
87.00894	0.2
88.98813	100.0
89.99149	1.3
93.03459	0.2
95.01353	0.1
99.00912	0.1
101.02459	0.6
111.00862	0.2
113.02442	0.5
113.99574	0.2
115.00391	0.2
116.92863	0.4
119.05007	0.4
125.02440	0.4
129.01939	0.3
136.01639	0.3
137.02417	0.3
145.02943	0.2
151.00325	0.2
151.04015	0.3
152.01205	0.1
153.01901	0.2
155.10854	0.1
163.03975	0.3
166.02730	0.2
170.06871	0.1
171.52150	0.1
174.01654	0.2
177.03996	0.1
181.05000	0.2
195.05080	0.1
255.03029	0.6
263.07678	0.2
283.02554	1.1
284.02972	0.2
285.04034	2.0
286.04306	0.2
307.10248	0.4
371.24341	0.2
375.27310	0.2
387.14310	0.3
430.08893	0.2
431.09482	0.5
533.28839	0.2
573.50220	0.1
605.14301	0.5
619.16199	0.5
675.20593	0.1
695.35828	2.6
696.34326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
59.01365	0.8
60.99302	17.1
61.98824	1.7
71.01376	0.7
71.33748	0.3
73.02961	0.4
75.00871	0.4
83.01393	0.2
85.02943	0.2
87.00882	0.2
88.98808	100.0
89.99135	1.2
90.93703	0.2
93.03471	0.3
101.02447	0.6
113.02447	0.3
116.92859	0.5
119.03476	0.2
119.05020	0.7
125.02458	0.2
137.02461	0.2
145.02945	0.4
151.00330	0.2
155.10841	0.2
158.44141	0.2
161.02486	0.3
163.03979	0.4
167.14375	0.1
177.04048	0.3
179.05727	0.2
212.29115	0.1
255.02991	0.3
272.44366	0.2
275.32773	0.2
283.02460	1.5
284.02805	0.2
285.04056	0.2
343.12265	0.2
345.25705	0.2
381.35764	0.2
430.09045	0.6
533.31018	0.2
605.15253	1.3
606.15723	0.2
695.26434	0.7
695.36627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01381	5.5
59.30028	0.8
60.99321	0.9
61.98830	100.0
62.15347	0.7
65.00333	6.0
69.37328	7.1
71.01385	3.8
72.99311	23.6
73.02975	2.0
73.99661	1.8
75.00899	1.2
78.91908	2.9
78.95885	1.1
82.34250	0.9
83.01398	3.0
83.05029	1.1
85.02981	2.1
88.98801	3.6
89.02493	2.0
93.03473	2.1
97.02953	0.8
98.19895	1.5
99.85085	0.8
101.02457	2.0
101.66095	0.7
107.01411	13.0
109.02989	1.7
113.02443	1.7
116.92869	7.8
117.92912	0.8
119.05042	4.9
121.02983	1.5
123.04566	1.0
125.02468	13.7
133.02998	1.4
134.03816	0.8
135.04539	36.6
136.04893	2.0
137.02495	3.4
137.09819	0.8
145.03008	3.4
145.85956	0.7
149.02417	1.0
150.03278	1.2
151.00386	63.8
151.03926	1.5
152.00752	3.4
155.10768	3.6
161.02486	4.1
163.04092	2.0
165.01991	1.3
167.03571	0.9
169.01448	1.9
172.76485	0.9
175.00426	1.4
177.01924	3.7
177.05641	0.8
179.05696	1.0
179.10855	0.7
193.01395	1.1
199.09808	5.6
201.11293	1.0
207.05103	0.7
209.11766	1.9
229.26024	0.8
241.10872	1.2
243.03201	0.8
269.04605	1.1
271.06122	4.6
272.06589	1.5
283.06424	1.1
283.11920	1.8
287.05621	31.9
288.06015	3.3
289.07370	1.2
311.05640	2.6
312.06097	1.5
343.13962	7.9
348.77377	0.8
373.25961	0.9
388.68600	0.9
473.32953	1.3
495.37167	1.5
631.20435	27.1
632.20856	5.8
656.42157	0.9
694.34875	1.1
695.37274	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	694.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36123	0.5
57.03448	3.7
58.00578	0.5
59.01375	4.0
61.98828	100.0
65.00324	1.7
69.54103	3.6
71.01388	2.9
72.99281	0.9
73.02956	0.9
75.00858	1.0
78.95872	0.6
81.03460	1.3
83.01379	2.7
85.02969	1.4
87.00887	0.5
88.98828	1.6
89.02457	1.6
93.03460	3.4
94.03814	0.5
95.01383	0.6
96.96018	9.6
98.95618	0.7
99.00887	0.5
99.92602	0.4
101.02445	1.6
102.34289	0.4
107.01405	2.1
108.02148	0.5
109.02952	1.7
111.00877	0.6
113.02459	1.1
116.92871	2.2
117.03467	1.8
119.03538	0.6
119.05040	10.6
120.05318	0.8
121.02964	0.7
123.04527	1.3
124.01700	0.7
125.02462	32.0
126.02796	1.1
131.05090	0.5
133.02972	1.2
133.06604	0.6
135.04544	1.5
137.02467	4.0
137.06143	0.4
145.02963	5.7
146.03342	1.2
149.02411	1.1
151.00369	6.7
151.03961	0.6
152.01213	3.1
153.01945	1.8
155.10773	1.7
157.06566	0.7
158.03696	0.6
159.04512	0.6
161.02443	1.0
161.06137	0.8
162.62550	0.5
163.04022	6.4
163.11349	0.6
164.04404	0.7
165.01826	0.9
169.01344	0.4
171.10333	0.6
172.05318	1.3
173.06039	2.9
175.00375	0.6
175.04030	1.1
176.01126	0.5
177.04097	0.8
177.05554	2.2
178.12712	0.5
178.99840	2.9
181.08739	0.4
187.07576	0.6
188.88448	0.4
191.05585	0.6
193.05005	0.6
199.07726	1.2
199.09764	1.5
201.05588	3.1
202.06142	0.4
205.05038	0.7
209.11920	0.6
210.12141	0.6
215.07138	3.8
219.06694	0.6
225.11346	0.5
241.05084	1.1
243.02925	0.7
243.06601	5.8
244.06892	0.8
255.03004	0.6
256.03366	0.7
259.06091	37.1
260.06427	2.9
269.04547	5.3
271.02515	1.1
271.06088	1.5
272.02789	0.6
283.06067	2.1
283.11386	0.5
285.04065	3.0
287.05597	78.9
288.05911	7.5
300.02777	1.5
301.03073	1.7
301.06976	0.7
311.05530	0.8
342.85370	0.5
343.13937	1.5
369.15375	0.6
369.23160	0.6
371.24524	0.5
455.28125	1.5
473.28845	0.7
532.11554	2.4
533.20178	3.7
596.15607	0.6
603.20947	0.9
631.20386	15.3
632.20508	3.5
635.23938	0.5
656.18768	0.9
658.34479	0.6
694.33752	1.9
695.34918	2.8
698.11383	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.1
61.98827	100.0
62.98540	0.2
69.31499	0.2
69.31919	0.4
78.95914	0.1
127.55205	0.1
145.02988	0.2
152.99612	0.1
165.35909	0.1
175.89598	0.1
203.99699	0.1
631.36548	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	694.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21967	0.1
59.01378	0.1
59.16840	0.1
60.19369	0.1
61.98827	100.0
62.98526	0.2
70.19354	0.1
70.19679	0.3
78.95914	0.2
98.20490	0.1
117.03493	0.1
119.05036	0.1
120.73634	0.1
121.02955	0.3
135.95053	0.1
145.02945	0.6
162.10669	0.0
166.79344	0.1
206.23090	0.1
226.31323	0.1
514.97211	0.1
617.38666	0.1
631.36621	0.4
632.37073	0.1
635.39886	0.2
695.38379	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	693.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61078	0.5
71.48743	0.9
77.40759	0.4
77.95895	0.4
78.74678	0.4
78.95905	27.9
81.03466	0.7
83.05026	3.4
84.02177	0.6
96.96965	2.8
97.06613	0.5
116.91940	0.5
119.11775	0.5
135.08163	0.7
152.99599	35.0
153.99915	1.1
163.11325	3.0
165.12851	1.6
171.00647	4.7
185.11819	1.4
197.11800	0.7
199.13451	0.6
209.02222	0.8
209.11821	41.2
210.12186	3.5
211.13499	2.7
227.03235	1.5
227.12863	6.0
253.21701	1.0
255.23270	100.0
256.23618	11.6
363.12131	5.9
436.78271	0.6
437.15875	4.7
438.16324	0.6
439.16672	0.5
455.16898	2.0
457.18021	3.6
693.39972	90.8
694.40283	23.2
694.52649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25987	0.9
61.98827	44.1
67.62887	0.9
69.51373	4.0
69.51806	4.1
71.01382	4.0
74.78868	1.0
78.95911	5.0
85.02921	1.2
88.98816	1.2
89.02409	1.2
91.99152	0.9
99.92584	1.6
101.02441	2.5
113.02452	1.0
116.92870	12.5
125.02395	2.3
131.33838	0.9
133.29257	1.0
151.00438	1.7
152.99623	1.5
161.02370	1.1
171.10320	1.3
201.05508	2.3
209.11781	7.1
211.13402	6.0
214.06395	1.1
227.07079	2.5
227.12936	2.1
229.05061	9.4
243.06612	2.4
255.06583	3.3
257.04501	1.8
259.09677	1.6
271.06104	2.5
272.06393	1.1
273.07648	32.8
274.07892	3.9
299.09171	6.6
301.07254	1.2
301.10928	1.3
329.10294	4.5
357.11182	1.5
397.10846	1.9
399.12366	2.7
401.13608	2.8
407.09283	1.7
409.07004	3.4
425.10260	3.2
425.15604	1.0
441.13199	1.6
443.14822	3.5
445.16415	10.3
446.17023	2.3
451.11731	1.4
453.09756	2.4
467.11176	2.4
468.12195	2.5
469.12918	5.9
471.31192	7.7
472.31628	1.7
487.17572	3.8
488.17917	2.2
489.28726	1.6
512.14764	2.2
513.15533	17.9
514.15765	4.2
515.13489	10.1
516.13495	1.8
530.15729	13.4
531.16516	100.0
532.16846	21.8
573.17615	11.3
574.18036	3.2
650.60492	1.2
693.21991	13.9
693.33246	2.4
694.22449	4.9
694.33441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.9
59.27552	2.5
61.57494	2.6
61.98829	82.0
68.11037	2.4
70.92288	5.8
71.01376	12.6
78.95905	15.3
83.05020	3.1
88.98773	2.9
89.02453	9.5
96.96004	4.4
97.02949	3.2
101.02427	8.3
116.92851	7.1
119.03561	3.4
121.87863	2.6
125.02458	4.2
145.02950	4.0
152.99582	8.6
159.63661	2.7
165.02037	2.6
171.10265	7.9
175.03931	3.1
179.05704	4.0
183.13908	4.2
192.74915	2.5
195.13899	7.1
209.11836	100.0
210.12184	8.8
211.13388	88.6
212.13631	6.8
213.63815	2.4
225.11394	3.2
227.12872	27.3
235.08160	9.3
253.09283	9.2
260.17270	2.4
273.07614	18.5
277.21442	6.3
295.22852	44.0
296.23154	6.6
397.13586	9.7
415.14270	10.3
445.20789	10.9
447.21973	6.9
468.12460	3.7
469.12756	5.6
471.31152	3.5
475.21655	3.4
503.33804	3.7
511.06305	2.5
513.15289	13.7
515.13300	3.6
515.89038	3.2
530.15668	8.1
531.16547	73.4
532.16821	16.9
573.17719	7.5
574.18384	3.2
630.32111	3.3
639.34076	7.4
640.34760	3.2
675.87457	2.6
693.21790	8.1
693.32446	50.0
694.33331	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	692.17
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01380	5.3
61.98831	15.2
63.62059	0.3
65.69904	0.2
69.03466	0.5
69.40331	2.1
71.01385	1.9
72.99315	0.4
73.02957	1.0
75.00882	0.7
77.04008	0.3
78.95913	0.5
82.50411	0.2
83.01403	0.7
85.02962	1.0
87.00880	1.3
89.02448	1.0
93.03478	0.9
95.01413	0.3
96.96079	0.4
98.19907	0.5
101.02453	1.6
105.03472	0.6
107.54646	0.2
111.00938	0.4
113.02472	1.9
115.00434	0.3
117.03490	1.0
123.04513	0.5
125.02482	1.1
129.02025	0.3
132.02168	1.6
133.02974	31.5
134.03264	1.4
135.04538	4.1
137.02475	0.8
143.03542	0.3
151.04030	0.8
155.03702	0.3
160.01605	0.3
161.02464	100.0
162.02809	5.8
173.04585	2.2
174.72867	0.2
177.04100	0.6
179.03506	2.1
179.05598	0.5
191.05621	0.6
193.05150	0.4
212.14781	0.3
217.01472	0.3
218.36923	0.3
234.14305	0.3
244.33061	0.3
255.35603	0.3
285.04074	0.4
295.10895	0.3
305.56537	0.3
323.10040	0.4
341.10941	1.0
383.11835	0.9
487.30841	0.3
531.14978	0.7
587.16449	1.8
629.17346	48.5
630.17706	10.0
630.25830	0.3
649.27332	0.3
675.26123	0.4
692.22668	0.9
693.25214	0.7
693.37079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32444	3.4
59.01391	3.3
71.12643	5.6
78.55188	3.2
78.95437	4.6
78.95904	75.8
96.96966	6.0
152.99606	57.5
207.74890	3.6
211.30336	3.7
255.11697	3.6
277.21689	100.0
278.21970	6.2
311.83380	3.5
330.85562	3.9
413.20963	55.2
431.22144	21.6
689.28412	4.0
691.43134	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49941	0.2
53.24306	0.2
55.01873	0.5
57.03440	0.7
58.00592	0.8
58.97136	0.2
59.01381	15.6
60.01690	0.2
61.98832	17.4
69.03462	1.0
71.01387	18.1
71.64866	0.3
72.01728	0.4
72.99300	1.1
73.02947	2.0
75.00886	0.4
78.95905	1.0
81.03444	0.8
83.01392	1.2
83.05006	0.4
85.02954	3.6
87.00887	2.8
88.98783	0.6
89.02452	10.4
95.01389	1.0
95.05041	0.5
97.02940	1.5
99.00898	0.9
99.04495	0.3
101.02455	11.0
109.02943	0.6
109.06599	0.5
111.00862	0.3
111.08172	0.6
113.02463	4.9
116.92885	0.4
119.03522	3.9
121.02949	0.4
123.08117	0.3
125.02455	3.3
131.03584	0.5
133.05087	0.3
137.02426	0.4
139.03976	0.4
141.01926	0.4
142.24753	0.3
143.03529	1.7
145.02933	0.3
149.04526	0.3
151.00378	0.5
151.04012	0.3
152.99620	0.5
161.04607	2.3
163.11288	0.4
167.03508	0.5
171.10283	3.5
172.10612	0.3
179.05620	3.4
179.14444	1.1
181.12361	0.3
183.13927	0.6
184.05316	0.3
185.11781	0.3
195.13911	7.3
196.14311	1.2
197.11819	0.5
199.09689	0.5
201.11313	0.6
205.12338	0.9
205.15987	0.3
207.10243	0.7
209.11789	2.5
210.12134	0.4
211.13448	4.3
221.06677	1.2
223.13397	6.2
224.13708	0.5
225.11319	0.7
225.14912	0.5
227.12979	0.6
228.13608	0.7
235.08221	3.3
253.09259	1.7
256.13184	1.0
263.07599	0.5
265.21744	0.3
271.06216	0.5
272.06461	0.4
275.20120	3.8
276.20435	0.5
284.03146	0.3
285.03970	0.4
287.07718	0.8
293.21213	100.0
294.21567	11.5
305.08817	0.9
379.12790	0.3
397.13525	23.3
398.13989	1.8
415.14566	25.7
416.14886	2.9
627.31665	0.2
647.13232	0.3
654.27313	0.8
660.98889	0.3
673.34491	0.5
675.70117	0.3
691.13971	1.2
691.34998	2.5
692.14160	0.4
692.34924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.15453	0.3
57.03433	1.5
58.00601	0.4
59.01380	6.0
61.98831	10.8
69.03442	0.5
71.01384	6.9
71.14250	0.6
72.99305	0.5
73.02958	1.0
73.32442	0.3
78.95908	0.8
80.02682	1.1
80.04172	0.3
81.03455	1.5
83.01405	0.7
83.05030	4.7
83.26769	0.3
84.02206	0.7
85.02959	1.7
86.95832	0.3
87.00877	1.2
89.02457	3.2
93.03448	0.7
95.01407	0.6
95.05038	1.3
95.63882	0.3
97.02977	0.4
97.06596	4.4
99.00877	0.3
101.02450	4.5
109.06598	0.7
113.02473	2.5
117.96133	0.3
119.03550	0.8
119.05017	0.3
125.02460	0.6
125.06068	0.5
125.09761	0.9
132.11900	0.3
133.05099	0.6
133.10234	0.4
135.08174	0.7
143.03516	0.4
145.05092	0.6
149.09724	0.3
151.00409	1.3
151.11302	15.6
152.11694	0.8
152.99551	0.6
160.09224	0.3
161.04558	1.4
163.11317	3.0
165.12866	1.6
169.12363	75.0
170.12695	4.7
171.10257	1.2
175.04004	0.4
179.05692	0.7
183.13870	0.6
191.10770	0.8
195.10263	2.3
197.11821	0.7
201.11322	0.5
207.10284	0.9
209.11842	55.7
210.12169	4.7
211.13445	1.8
213.11333	9.5
214.11705	0.5
225.11330	0.6
227.12897	4.0
235.08182	1.0
253.09212	3.4
271.06088	2.3
272.06662	0.5
293.21341	0.5
431.19238	1.1
449.20148	4.2
450.20535	0.6
469.29520	0.6
497.27881	0.3
529.31647	0.4
637.31622	0.4
641.31671	1.4
659.32910	100.0
660.33240	25.3
691.35669	11.7
692.35840	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	691.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31152	0.4
53.88577	0.5
57.03443	9.1
59.01367	4.1
61.98831	9.5
63.02407	1.5
65.00319	3.4
69.54271	3.7
71.01379	4.3
72.99339	0.6
73.02957	1.7
75.00882	2.0
81.03472	1.0
83.01394	6.5
85.02956	2.1
87.00883	1.2
87.04489	0.6
88.98830	1.7
89.02449	1.7
93.03470	1.4
95.01388	1.1
96.96009	0.7
97.02954	1.3
97.06622	0.5
99.00873	0.7
101.02467	3.1
107.01398	4.3
108.02192	2.8
109.02969	5.0
111.00948	0.9
113.02428	1.7
116.92880	0.8
117.03539	0.6
119.03486	0.5
119.05077	1.7
121.02968	2.3
122.06073	0.6
123.00837	0.8
123.04525	3.6
124.01668	2.4
125.02460	100.0
126.02793	3.8
127.04090	0.6
133.02928	0.8
133.06573	0.7
135.00900	0.6
135.04556	1.2
135.08150	0.8
137.02467	4.7
137.09703	0.5
139.04051	1.9
143.05038	0.7
145.02997	2.1
147.04539	1.3
149.02455	7.5
149.99702	0.8
150.03239	2.1
151.00385	17.1
151.04008	4.9
152.01193	6.1
153.01956	19.3
154.02287	0.8
155.10800	3.5
161.02443	2.5
161.04568	1.3
161.06032	1.0
163.00380	4.6
163.04012	1.6
165.01932	1.7
167.03598	0.6
168.00696	1.1
169.01443	2.4
171.04582	1.4
173.06039	1.2
174.03291	2.4
175.00592	0.7
175.04012	19.5
176.01152	1.3
177.01945	21.2
178.02339	1.1
178.99876	19.9
180.00180	0.9
181.01401	4.0
183.10249	2.1
187.04071	1.0
188.04828	1.6
189.05577	5.2
190.02518	0.6
191.03506	1.4
191.05545	0.7
191.07108	0.7
193.04996	0.7
197.06064	0.9
199.04015	10.2
200.04300	0.9
201.01923	2.4
201.11284	1.0
209.11859	1.9
213.05559	2.3
215.03561	0.7
215.07317	0.6
216.04308	1.2
217.05054	8.5
218.05444	1.0
221.00735	0.6
225.11351	1.6
231.06621	2.0
235.06209	0.8
239.07739	0.5
241.05006	8.6
242.02161	0.8
242.05426	0.6
243.02960	2.4
243.12503	2.5
245.08076	0.6
255.02910	1.0
257.04572	1.6
259.06088	4.0
260.06244	0.6
271.02826	0.6
271.06113	1.2
275.05603	11.9
276.05829	1.2
279.11472	0.7
283.02588	0.9
285.04034	71.9
286.04352	6.8
287.05685	1.4
289.07162	2.6
299.05490	1.0
303.05087	89.0
304.05472	8.4
327.05084	0.6
327.14423	1.4
387.16641	10.6
388.17053	1.0
393.27756	0.7
425.92053	0.7
427.19778	0.7
445.15222	0.6
445.20831	2.2
663.22821	1.4
673.21692	2.5
674.21448	0.6
690.34839	1.8
691.22626	26.6
691.34039	6.7
692.22693	6.6
692.33240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49894	0.2
55.33062	0.2
57.03445	0.4
58.00587	0.3
59.01374	2.7
61.98828	6.6
65.00334	0.2
69.69024	0.4
69.69436	1.0
71.01379	2.9
72.99315	0.4
73.02940	0.9
75.00883	0.3
80.02673	0.9
81.03452	1.1
83.01383	0.7
83.05026	3.6
84.02175	0.6
84.11607	0.2
85.02966	1.1
87.00868	0.7
88.98816	0.4
89.02453	1.6
93.03474	0.7
94.98106	0.4
95.05040	0.5
96.95971	0.4
97.02958	0.4
97.06613	0.3
99.00868	0.4
101.02454	2.5
107.01363	0.2
108.02154	0.2
108.72296	0.2
109.02946	0.3
109.06560	0.2
113.02451	1.1
116.92873	0.7
117.03457	0.6
119.03525	0.4
119.05052	1.3
121.02937	0.3
122.03773	0.2
123.04565	0.4
124.01688	0.3
125.02472	1.5
125.06113	0.6
125.09738	1.0
127.11276	1.2
129.01955	0.2
135.04491	0.3
135.08180	0.8
137.02486	1.2
137.09755	0.3
143.03467	0.3
145.02974	2.9
145.04956	0.2
149.02452	0.2
149.99605	0.3
151.00354	0.8
151.04062	0.4
155.10800	1.3
161.04668	1.0
163.04005	0.8
163.11305	3.4
164.11636	0.3
165.02007	0.5
165.09229	0.3
165.12874	2.1
166.13301	0.2
167.03389	0.3
168.00626	0.5
171.10248	1.7
174.95245	0.2
177.04028	0.2
179.05603	0.5
181.12370	0.7
185.05969	0.2
191.10805	1.1
199.09785	1.0
201.11333	22.6
202.10002	0.2
202.11748	1.3
207.10168	0.2
209.11830	100.0
210.12177	7.6
215.07336	0.2
225.11392	0.4
227.12889	14.1
228.13225	1.1
229.14499	0.2
235.08224	2.9
236.08595	0.2
247.13499	0.3
253.09259	8.0
254.09444	0.3
271.02206	0.2
271.06061	0.7
287.05554	0.5
289.07077	0.7
375.21747	0.6
377.61307	0.2
383.13968	0.2
393.22778	0.4
419.19012	0.2
433.56082	0.2
437.20447	1.0
438.20502	0.2
445.20795	2.8
446.21109	0.5
463.21768	0.4
469.29523	0.3
527.25134	0.2
611.30646	0.3
629.31964	0.5
637.32654	0.6
655.19073	0.5
655.32898	0.4
656.18951	0.2
673.34479	0.3
691.34070	1.7
692.33612	0.4
714.87354	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
67.01883	0.3
69.92436	0.9
71.01404	0.9
81.03474	0.4
85.00030	0.2
85.02954	5.4
86.03265	0.2
87.00876	1.0
93.03457	2.4
99.04500	0.2
101.02432	0.2
109.02950	0.6
111.04550	0.7
119.05036	0.5
121.02921	0.2
125.02462	0.4
127.04030	1.4
133.02948	0.7
135.04524	0.6
137.02472	0.2
145.02966	0.2
155.03545	0.3
161.02455	2.2
163.04083	0.4
169.07309	0.2
171.03009	0.5
172.09782	0.2
173.04546	3.0
174.04889	0.3
179.03510	0.5
191.05618	100.0
192.05965	4.4
192.07680	0.3
229.61662	0.2
337.09348	0.4
353.08762	19.7
354.09180	2.4
469.16626	0.3
545.05530	0.2
691.19904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.6
57.35207	0.2
67.01853	0.3
68.99808	0.3
69.03458	0.3
69.86716	1.5
80.02669	0.3
81.03451	2.2
83.01387	2.6
83.05041	0.2
93.03442	1.2
95.01387	0.8
95.05040	2.7
97.02957	4.8
99.04543	0.3
107.05006	0.4
108.02199	0.8
109.02959	20.3
110.03272	0.5
111.04533	0.3
117.03447	0.3
121.02958	2.6
122.03718	0.6
123.04532	13.7
124.04861	0.4
125.02455	13.3
133.02969	0.3
135.04562	2.0
137.02446	8.4
138.03230	0.4
139.04018	2.7
145.02963	0.7
146.03748	1.0
147.04494	0.4
149.02458	3.8
149.06114	0.3
150.03204	1.2
151.04010	7.5
152.04369	0.5
157.06619	0.5
159.04538	2.1
160.05280	1.4
161.02440	1.0
161.06084	4.3
162.03232	1.1
163.04016	1.0
164.01164	2.7
165.01953	3.7
166.02684	0.6
167.03488	1.3
171.08167	0.3
173.06104	1.0
174.03241	0.6
175.04054	1.9
175.07573	1.5
177.05583	0.3
179.03503	5.5
180.04053	0.3
185.06044	0.8
186.06757	0.4
187.04019	4.3
188.04781	3.6
189.05116	0.5
199.07603	0.7
201.05571	0.5
202.06348	1.9
203.07146	12.7
204.07503	1.1
205.05070	7.4
205.06999	0.4
206.05406	0.5
211.34422	0.3
212.04794	0.5
213.36603	0.2
217.04915	0.3
217.08763	0.7
221.08160	3.1
227.07132	1.9
229.05016	0.3
230.05812	0.8
231.02968	0.3
245.08157	16.3
246.08501	1.4
247.06085	1.0
250.37636	0.2
271.06088	0.8
289.07153	100.0
290.07480	10.0
314.29669	0.3
700.65088	0.3
709.86932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.19
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01373	1.5
62.62885	0.2
67.01898	0.5
69.46364	1.0
69.46792	1.1
71.01395	1.4
73.02941	0.3
81.03453	0.3
83.05017	0.9
85.02957	6.5
86.63027	0.2
87.00877	1.6
89.02432	0.3
93.03463	7.5
93.04029	0.5
109.02977	1.0
111.04532	2.6
113.02449	0.4
119.05043	44.6
120.05366	2.1
125.02493	0.4
127.04025	1.7
129.01897	0.3
131.07167	0.4
133.02972	0.7
134.03719	0.4
135.04547	4.9
137.02464	1.2
145.02968	1.0
155.03523	2.8
161.02454	1.2
163.04024	83.8
164.04359	4.4
165.04181	0.3
171.03033	0.4
173.04559	16.2
174.04897	0.7
179.03516	4.1
191.05620	100.0
192.05969	4.4
255.10307	0.4
289.07120	0.3
293.12354	1.1
317.72562	0.3
337.09277	55.6
338.09592	5.6
343.08212	0.3
353.08765	14.1
354.09161	1.5
517.13446	0.4
556.63104	0.3
691.19501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85527	0.5
59.01370	1.5
60.32457	0.5
61.98829	27.7
70.75715	1.8
71.01392	0.9
72.33379	0.6
78.95905	23.3
83.05008	1.1
96.96964	2.8
102.56037	0.6
111.55585	0.5
152.99594	15.3
163.11299	0.7
171.61926	0.6
195.13937	2.0
209.11847	12.9
210.11978	1.0
227.12924	1.1
270.26093	0.6
277.21704	2.4
293.21231	1.7
295.22775	5.1
313.99741	0.7
363.12057	3.2
395.14740	2.6
431.21927	2.3
438.12857	1.0
439.28159	0.7
451.14255	0.7
452.14926	2.3
481.14920	4.6
482.15381	1.3
495.16702	8.9
496.16940	4.4
508.17517	1.5
509.18243	1.3
512.13495	1.1
529.35626	1.1
535.16302	1.5
536.17108	2.6
540.16864	3.8
551.19299	33.9
552.19531	10.9
554.18506	2.2
555.19098	0.9
568.15497	0.9
572.15466	2.6
586.17126	2.7
587.17657	1.3
595.18237	2.8
627.21075	100.0
628.21295	36.4
630.21539	4.3
654.20654	0.8
659.35815	12.8
690.39020	0.8
691.38373	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	691.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.6
57.04247	0.2
59.01378	5.9
60.99657	0.2
61.98830	5.7
68.39417	0.2
69.03451	0.3
71.01382	2.4
71.61882	0.2
71.62292	0.2
72.99314	0.4
73.02957	0.7
75.00879	0.6
78.95921	0.3
79.12546	0.2
83.01416	0.8
83.05030	0.2
85.02956	1.2
87.00900	0.8
88.98814	0.8
89.02437	1.2
93.03459	1.1
95.01416	0.3
96.95990	0.5
96.96984	0.2
97.02946	0.2
97.06619	0.2
99.04540	0.3
101.02461	1.8
107.01362	0.3
108.02219	0.3
109.02951	0.7
111.00865	0.3
113.02467	1.6
116.48973	0.2
116.92883	0.4
117.03481	31.7
118.03823	1.7
119.03529	0.3
119.05038	5.2
120.05368	0.2
121.03004	0.5
122.06110	0.2
123.00911	0.3
123.04540	0.4
124.01684	0.3
125.02462	1.9
129.01894	0.4
131.03506	0.2
132.60812	0.2
135.04556	0.4
137.02466	1.3
143.03500	0.3
143.04898	0.2
145.02968	100.0
146.03307	5.3
146.04482	0.2
150.03261	0.3
150.05656	0.2
151.00348	0.9
151.04036	0.5
152.01251	0.3
153.01950	0.2
155.10800	0.7
161.02454	0.6
161.04610	0.5
161.05978	0.2
163.04024	6.6
165.01944	0.3
168.00600	0.2
171.10309	0.5
173.04604	0.5
175.03961	0.4
177.02074	0.3
177.04076	0.7
179.03505	0.3
185.06094	0.2
187.04132	0.5
201.11371	0.6
202.11787	0.3
205.05084	0.3
209.11810	2.6
210.12161	0.5
211.07614	0.2
214.10301	0.2
224.30534	0.2
225.11421	0.2
227.12952	0.9
237.99101	0.2
241.04909	0.3
245.08266	0.2
253.09337	0.2
259.06131	0.3
271.02542	0.2
271.06088	1.0
285.03909	0.3
287.05615	0.5
289.07166	1.5
307.08011	0.4
315.22711	0.2
323.09790	0.4
341.10953	0.4
341.16763	0.2
349.09424	0.4
373.26221	0.5
383.11859	1.2
401.50836	0.2
485.17856	0.3
529.27344	0.3
538.59546	0.2
571.16541	0.5
595.16577	1.6
596.17804	0.3
613.17859	3.1
614.18414	0.7
631.23114	0.2
655.18872	32.0
656.19171	7.3
673.24689	0.5
691.33453	1.9
692.32324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24471	2.8
55.75560	3.2
59.01380	21.0
59.01628	2.9
61.98833	83.3
71.01385	14.2
76.24584	3.4
78.95908	40.3
89.02451	13.1
101.02484	10.1
107.37210	3.4
113.02492	3.7
125.02473	23.3
127.07740	3.2
152.99620	18.5
171.10255	4.7
179.05667	3.4
197.82761	3.0
209.11845	13.5
235.08200	9.2
235.83688	3.3
255.23276	40.8
268.55798	3.5
293.21143	6.2
397.13507	92.5
398.13858	7.6
415.14426	24.7
429.20267	4.3
653.37708	20.4
654.38153	4.8
657.33868	5.4
689.35541	100.0
690.35834	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3694
Annotation	Bisnicalaterine A
Peak:m/z	Relative Intensity
51.96736	0.9
53.46232	0.9
56.95461	0.8
58.41642	0.8
59.01370	5.9
61.98521	1.6
61.98830	31.9
69.48502	0.9
71.01384	13.9
71.60454	0.9
71.60909	1.1
78.95905	100.0
80.02669	1.9
81.03479	1.7
81.13604	0.8
83.05019	6.9
84.02173	1.9
85.02940	1.5
88.38389	0.8
95.05032	1.7
96.96977	10.1
101.02464	1.0
109.06623	3.1
117.03477	23.8
119.05016	4.1
120.56770	0.8
121.02999	2.6
123.04550	1.3
125.09735	1.1
127.11327	1.0
135.08163	1.1
145.02963	78.3
146.03279	3.2
152.99603	61.3
161.04605	0.9
163.04025	1.4
163.11305	7.4
165.12930	4.1
171.10252	9.1
181.12334	1.9
183.13919	1.2
185.11940	1.0
191.10757	1.2
195.13899	3.9
201.11320	2.7
207.10324	6.0
209.11830	92.9
210.12151	8.1
211.13405	2.5
223.13412	4.1
225.11302	7.0
227.12830	7.7
228.13469	0.9
235.08165	1.1
243.12373	1.0
253.09274	2.0
272.51990	1.0
275.20111	1.3
291.19751	0.9
293.21194	14.4
294.21585	1.7
363.12149	17.2
364.12817	1.5
381.13153	3.2
395.14792	13.9
396.14951	1.6
413.15805	3.2
429.20523	8.0
430.20505	1.2
445.20328	1.1
447.21725	2.9
461.20120	1.2
467.31766	2.0
497.29163	1.6
629.34607	2.8
630.35229	1.0
657.34174	46.8
658.34216	9.9
671.32599	1.4
689.37024	82.4
690.37366	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	689.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74172	0.4
59.01378	1.3
61.98821	3.6
64.41360	0.4
69.03130	0.6
69.03449	3.3
71.01394	1.7
73.02971	0.5
81.03479	1.3
83.01399	1.5
83.05020	0.8
85.02951	0.9
89.02444	0.4
91.06149	0.4
93.03492	0.9
93.85332	0.4
95.01406	2.4
97.02973	3.3
101.02447	0.9
107.01422	1.5
108.02201	0.6
109.02975	1.5
113.02505	0.7
121.02997	0.6
123.00899	7.2
123.04519	0.9
124.01681	21.7
125.02461	56.6
126.02793	1.9
134.24332	0.4
136.01709	0.5
136.94727	0.4
137.02480	4.0
139.04013	0.6
149.02449	0.7
149.99603	28.5
151.00400	8.0
151.04102	0.5
155.07109	0.4
165.01958	1.5
167.03523	1.2
168.00655	63.3
169.01407	8.9
170.01761	0.7
171.10274	5.9
178.45349	0.4
179.03470	0.7
181.84477	0.4
191.03455	0.5
193.01459	1.0
201.11336	1.4
203.07318	0.6
205.05124	0.7
207.10252	1.4
209.11839	11.4
209.13789	0.8
210.12170	0.8
211.02376	0.4
225.11282	3.7
227.12906	1.5
253.09317	0.8
295.04657	0.6
301.03546	3.5
313.05655	1.6
357.26602	0.5
375.22952	0.7
375.27457	4.3
376.27606	0.8
420.88974	0.4
428.74866	0.5
461.20041	0.6
527.26453	5.2
528.26678	0.9
653.32538	0.5
684.60712	0.5
689.34052	100.0
690.34442	22.7
690.46497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93951	0.4
57.03442	1.5
59.01380	5.9
61.98829	14.3
65.00330	0.5
65.38964	0.4
67.01884	0.5
68.99835	0.5
69.03465	4.5
70.71070	0.4
71.01388	7.8
71.59689	0.7
72.99319	1.0
73.02940	2.2
75.00892	1.5
80.02662	0.7
81.03473	1.6
83.01392	3.3
83.05032	2.5
84.02174	0.5
85.02943	3.6
87.00880	1.2
87.04519	0.5
88.98811	0.9
89.02464	2.8
93.03470	2.8
94.39122	0.4
95.01389	3.6
95.05035	1.5
96.96036	1.0
97.02950	5.3
97.06606	0.7
99.00891	1.2
99.04528	0.6
101.02453	4.0
107.01417	2.6
107.05059	0.7
108.02226	2.4
109.02965	15.2
109.03703	0.8
109.06628	2.0
110.03211	0.5
111.00896	1.0
111.04527	0.8
111.08178	0.5
113.02466	2.1
116.92862	1.1
119.03503	0.8
119.05048	1.9
121.02959	1.5
122.03805	1.2
122.06075	0.6
123.00908	8.7
123.04550	2.9
123.90897	0.4
124.01689	20.9
125.02465	58.7
125.09760	0.8
126.02753	3.3
127.11301	0.7
135.04539	1.6
135.08168	1.2
136.01671	1.1
136.74886	0.5
137.02470	9.2
138.02939	0.6
139.04015	1.4
139.07672	0.8
141.22266	0.4
145.02975	2.1
149.02473	1.3
149.06091	0.5
149.99602	29.6
150.03120	0.7
151.00410	9.5
151.04030	2.9
151.07793	0.6
151.11327	0.4
152.01256	2.4
153.01955	16.3
153.09148	0.5
154.02304	1.0
155.10809	1.4
160.01776	0.6
161.02440	1.2
161.04520	1.7
161.05879	0.5
161.09691	0.7
163.00420	0.5
163.04016	2.1
163.11287	4.1
164.01155	0.7
165.01950	3.5
165.12854	1.4
167.03581	3.0
168.00659	60.8
169.01392	9.7
171.10280	26.0
172.10623	1.0
173.04568	0.7
175.04059	1.3
177.01985	1.1
177.04065	0.6
177.05559	0.5
179.03482	1.0
179.05724	0.5
181.12321	2.1
183.03015	0.7
183.13939	1.0
185.11833	1.1
187.04076	0.6
189.02052	0.5
189.09227	1.0
191.05624	0.9
191.10773	0.8
193.01468	0.7
193.05087	0.4
195.02991	0.5
195.06845	0.4
197.11813	0.5
199.09830	0.8
199.13257	0.7
201.11330	9.0
202.11700	0.7
203.07086	1.0
205.05098	1.1
207.10255	5.8
209.11833	49.3
210.12143	4.5
211.02411	0.5
213.05531	0.7
215.12851	1.5
225.11310	15.0
226.11748	1.2
227.12892	6.8
231.10464	0.6
233.11739	0.7
235.08223	2.1
241.05104	1.9
243.12404	0.9
251.12912	0.6
253.09300	6.0
256.07416	1.9
271.06393	2.3
271.09521	2.7
283.02551	0.6
285.03934	0.8
287.05542	0.7
287.61691	0.4
289.07162	2.2
291.12418	1.3
313.05682	1.2
315.07187	1.1
319.11807	0.5
363.07275	0.5
373.25769	0.7
375.27582	3.1
376.27768	0.7
399.21799	0.6
407.19418	0.7
417.22681	0.6
433.30008	0.4
443.19348	0.6
445.20779	0.9
461.20239	1.9
462.20422	0.6
489.36191	0.6
525.19733	9.0
526.20032	1.5
527.26575	4.3
528.26691	0.9
635.30859	0.5
645.39240	0.6
653.31622	1.2
658.22662	0.7
671.33307	2.1
689.34131	100.0
690.34467	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	689.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63448	1.1
54.90389	1.1
55.01875	2.5
57.03442	4.3
58.00588	1.9
59.01378	58.7
61.98830	100.0
62.30899	1.4
67.01904	1.4
69.03461	2.3
71.01384	57.6
71.65103	1.8
72.99298	2.8
73.02961	6.7
75.00879	2.5
76.97846	1.2
78.95899	9.2
81.03448	3.3
83.01399	4.5
83.05024	9.9
85.02956	10.4
87.00879	6.7
88.98798	2.4
89.02446	19.1
93.03466	2.3
95.01402	2.0
95.05022	3.6
96.96958	1.2
97.02966	5.5
97.06582	1.9
99.00877	4.2
101.02458	25.4
109.02974	1.8
109.06607	9.3
111.04555	3.2
111.08190	9.8
113.02473	10.1
113.09779	1.4
119.03523	6.5
119.04990	2.1
123.04524	1.8
125.02461	9.9
125.09725	2.3
127.04031	4.7
129.05560	2.8
135.08156	3.3
135.88202	1.1
137.02469	3.2
137.09706	1.5
139.04022	1.5
143.03508	2.9
145.05086	1.4
151.00407	2.0
151.04066	2.6
152.99609	2.7
161.04559	4.4
161.09792	1.8
163.11314	8.9
165.01917	2.7
165.12827	4.7
167.10811	2.6
169.12439	1.6
171.10294	18.0
175.04019	1.6
177.12868	1.5
179.03529	1.5
179.05614	3.3
179.10782	1.7
181.12370	4.1
183.13933	24.9
185.06097	3.4
185.11844	1.9
186.06528	1.2
189.09132	2.0
189.36252	1.3
191.05582	1.6
195.13913	4.5
196.67984	1.3
197.11861	6.2
199.13414	2.3
201.11349	9.6
207.08379	2.1
207.10286	28.7
208.10666	2.9
209.11850	63.1
210.12218	6.8
211.13405	16.7
215.12811	2.2
221.06627	1.5
225.11333	24.0
226.11664	2.1
227.12923	13.9
228.13203	1.5
235.08224	7.4
247.20566	2.7
253.09293	10.2
271.06165	3.5
290.48447	1.4
291.19644	92.9
292.20029	8.5
367.46027	1.2
373.23944	1.4
391.24820	2.6
397.13525	43.9
398.13821	3.1
415.14600	21.0
416.15042	1.7
426.03473	1.5
439.08185	1.6
442.07333	1.8
445.20154	1.9
461.20157	6.1
483.11084	8.9
484.11292	2.7
485.08905	5.5
486.09445	4.5
527.12952	3.5
585.40100	5.3
586.40295	2.5
611.37958	12.9
612.38544	3.0
627.51379	1.3
653.31903	3.9
671.30988	7.3
671.41907	2.4
672.32867	2.6
689.18945	37.9
689.33600	12.0
690.19196	11.9
690.34100	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	689.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.4
55.01884	0.5
57.03441	1.1
58.00593	0.8
59.01381	7.6
60.99307	4.1
61.98834	5.7
63.71596	0.3
68.99813	0.3
69.03460	0.7
71.01386	58.5
71.05039	0.6
72.01727	1.0
72.99312	0.6
73.02943	3.7
73.74168	0.3
80.02664	0.9
81.03461	2.4
83.01405	1.2
83.05025	6.2
84.02186	1.1
85.02962	2.3
87.00893	1.8
88.98816	24.8
89.02454	3.1
89.99118	0.3
93.03465	1.0
94.68111	0.3
95.01384	0.6
95.05038	2.2
96.35249	0.2
96.96044	0.3
97.02972	2.6
97.06614	0.7
99.00311	0.3
99.00863	1.4
101.02447	4.0
105.38374	0.3
107.05057	0.5
109.02972	0.7
109.06605	7.5
110.03780	0.5
110.06932	0.4
111.00890	0.6
111.04561	0.6
111.08155	0.4
113.02457	3.1
119.03503	0.5
121.02961	0.4
121.06598	0.6
123.04524	0.6
123.08176	0.5
125.02467	0.9
125.06105	0.9
125.09741	2.5
127.11287	1.7
132.71086	0.3
135.08218	1.4
137.02455	0.9
137.09718	0.5
139.07686	0.8
139.11382	0.3
142.02745	0.5
143.03529	0.8
145.05066	0.9
145.10156	0.3
149.09691	0.6
150.03265	0.4
151.04045	0.3
151.07643	0.5
151.11314	0.3
153.09254	0.4
153.12814	0.3
155.10817	0.8
161.04619	2.1
161.09747	0.8
163.11298	9.7
164.11639	0.6
165.01944	0.7
165.09251	0.3
165.12843	2.2
167.03430	0.4
169.12378	0.6
171.10286	33.0
172.10646	1.8
177.01996	0.4
179.05658	0.6
179.10828	0.8
181.12361	3.7
183.10252	0.3
185.11832	2.4
187.09772	0.3
189.09229	1.1
191.10773	1.0
197.11882	1.1
199.09769	0.8
199.13394	0.9
201.11334	14.3
202.11678	0.7
207.10278	20.9
208.10655	1.0
209.11838	100.0
210.12169	7.8
210.14165	0.4
211.13350	0.4
215.12929	1.4
223.13417	0.7
225.11330	27.0
226.11691	2.0
227.12891	11.4
228.13295	0.9
233.11824	0.7
235.08192	2.9
235.13409	0.4
243.12263	1.6
245.85889	0.3
247.13470	0.6
249.11238	0.4
251.12888	1.3
253.06638	0.5
253.09250	10.0
254.09645	0.5
263.12784	0.5
265.14450	0.4
271.06052	1.1
272.06726	0.4
295.10297	0.8
299.14932	0.5
347.50961	0.3
373.23923	0.4
375.21909	0.4
399.21750	1.7
399.71323	0.3
405.17969	0.4
407.19321	0.4
417.22748	1.8
443.19116	1.2
445.20663	0.5
453.24014	0.3
461.20230	4.9
462.20560	0.8
479.21481	0.7
481.20874	0.4
522.69135	0.4
635.31018	1.5
653.31757	2.6
654.32440	1.1
671.32837	3.0
672.33752	1.4
689.33557	3.7
690.34100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03433	1.4
59.01385	7.6
61.98518	1.1
61.98830	19.2
66.09988	0.6
68.99826	0.6
71.01384	48.7
71.62990	0.9
72.01722	0.8
72.99281	0.7
73.02939	2.1
78.95909	42.8
80.02689	1.7
81.03458	2.1
83.01403	1.3
83.05031	7.6
84.02193	1.0
85.02961	2.4
87.00877	1.6
89.02457	2.9
93.03462	0.7
95.05038	2.1
96.96988	3.4
97.02972	2.8
97.06615	1.3
99.00889	1.8
101.02460	2.8
103.00388	0.8
106.53011	0.7
109.02988	0.8
109.06593	7.4
110.06906	0.7
111.04546	0.8
113.02467	2.5
117.03491	1.8
119.03513	1.1
125.02436	1.0
125.09706	3.2
127.11289	1.3
134.98640	0.9
135.08165	1.9
139.07654	1.2
145.02946	3.8
147.11736	0.7
152.99605	23.8
161.04565	1.0
161.09801	0.8
163.11304	10.2
163.61467	0.6
165.12819	3.1
171.10292	24.6
172.10640	1.0
179.10823	1.1
181.12381	4.0
183.10260	0.8
185.11876	2.3
191.10760	1.1
195.13913	1.6
197.11801	1.0
199.09857	1.2
199.13451	1.8
201.11331	11.4
202.11852	1.1
207.10263	21.5
208.10580	1.6
209.11839	100.0
210.12155	7.3
211.13434	2.0
215.12813	0.9
223.13382	2.3
225.11331	26.6
225.13567	1.5
226.11626	1.7
227.12920	9.7
235.08281	2.7
243.12384	2.4
251.12842	1.1
253.09267	7.4
254.09915	0.7
291.19690	0.7
293.21149	4.9
363.12207	5.1
381.13290	1.2
395.14709	4.1
399.21735	1.2
417.22952	1.2
429.20477	4.8
443.18997	1.2
447.21362	1.3
461.20398	5.3
532.21356	0.8
635.30768	0.9
651.38641	1.0
653.31952	1.8
657.34229	16.5
658.33948	3.4
671.32751	2.8
672.33832	1.0
689.36212	15.6
690.36932	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	689.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18654	1.4
50.28007	1.4
58.00573	2.3
59.01361	7.7
60.79006	1.5
61.98830	78.0
71.01383	33.5
71.60555	1.5
71.61045	2.5
78.24068	1.5
78.95906	71.6
83.01364	1.6
83.05040	6.3
85.02977	3.3
89.02483	2.8
89.45175	1.8
95.05038	2.4
96.96969	9.4
97.02968	2.6
101.02460	2.8
109.06595	4.4
117.03493	3.3
121.70827	1.5
125.02395	1.8
125.09745	1.7
135.08115	2.4
140.52124	1.8
145.02969	12.1
152.99593	35.6
161.09654	1.9
163.11320	11.1
165.12857	4.3
169.12224	1.6
171.10278	18.2
177.44141	1.6
181.12410	2.7
183.13921	1.8
190.25031	1.4
195.13927	3.4
199.09775	1.6
201.11311	11.1
207.10277	15.5
209.11830	100.0
210.12134	6.2
211.13409	7.8
223.13417	3.7
225.11313	17.5
227.12897	10.0
235.08168	2.3
253.09293	5.8
293.21161	8.5
307.68912	1.7
363.12085	8.1
384.13892	1.5
395.14719	6.6
429.20374	4.4
443.19250	2.5
461.20016	2.9
635.31104	2.4
651.38269	2.0
657.34045	29.1
658.34442	6.7
671.32690	3.5
689.36395	30.3
690.36328	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13303	0.1
52.78030	0.1
57.03432	0.3
59.01374	1.9
61.98830	6.0
63.02415	0.5
65.00291	0.7
71.01388	1.3
72.99323	0.2
75.00870	0.2
81.03445	0.2
83.01413	0.5
83.05019	0.2
85.02957	0.4
88.98822	0.4
89.00320	0.2
89.02440	0.4
93.03471	0.6
95.01394	0.2
95.05074	0.1
97.02962	0.3
97.06568	0.2
98.20633	0.4
100.20149	0.1
101.02451	0.6
107.01397	0.8
108.02269	0.2
109.02966	0.5
109.06565	0.2
113.02471	0.3
116.92854	0.2
117.03473	1.1
119.03468	0.1
119.05024	0.3
121.02993	0.5
122.03740	0.4
123.04556	0.8
125.02452	1.0
133.02985	0.2
135.04518	0.2
137.02470	1.5
143.05052	0.2
145.02986	0.4
149.02455	0.3
150.03302	0.3
151.00395	2.3
151.04039	0.5
152.00670	0.2
155.05006	0.5
155.06264	0.1
159.04543	1.0
160.01566	0.1
161.02449	0.4
163.03972	0.2
163.11270	0.4
164.01143	0.4
165.01979	1.4
167.05080	0.3
169.01517	0.3
169.02965	0.2
171.04514	0.5
171.10312	0.8
173.02466	0.2
173.06039	0.4
174.26352	0.1
175.03986	0.2
179.03618	0.3
181.12335	0.2
182.03795	0.3
183.04527	4.0
183.13936	0.3
184.04962	0.2
185.02452	0.6
185.06090	0.2
187.03998	0.4
195.04637	0.2
197.11855	0.6
199.03975	0.3
199.13380	0.2
201.11301	0.5
203.07147	0.4
205.05035	0.4
207.10291	0.6
209.11835	2.3
210.12210	0.2
211.03984	3.1
211.13318	0.2
212.04410	0.2
213.05568	0.2
216.05704	0.1
225.11369	0.9
226.02715	0.3
227.03506	2.6
227.12875	0.6
228.03818	0.2
229.05014	0.3
237.01996	0.2
239.03416	0.4
244.07260	0.2
253.09236	0.3
255.02971	43.2
256.03320	3.8
271.06186	0.8
272.06406	0.2
282.01608	0.2
283.02463	100.0
284.02832	10.6
285.04013	2.0
286.04431	0.2
287.05640	0.3
289.07111	0.4
303.81363	0.2
375.21744	0.2
423.07272	0.4
429.08273	0.6
430.09030	41.0
431.03580	0.3
431.09418	5.3
441.32895	0.2
535.10583	0.1
537.26465	0.2
543.11353	2.0
544.11920	0.3
547.98779	0.1
587.14874	0.2
647.15942	0.3
671.32794	0.3
689.17432	35.0
689.31659	3.7
690.17773	8.6
690.32056	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10416	0.6
57.03461	0.6
59.01389	2.4
61.98843	2.3
64.88876	0.6
69.03488	2.1
71.05062	1.7
78.95909	32.2
80.50238	0.6
85.06637	1.1
95.05035	0.6
96.97004	2.1
109.06635	0.9
149.09718	1.1
152.99600	44.3
154.33389	0.7
161.06497	0.7
167.10818	3.8
171.00673	4.8
175.76099	0.8
177.12894	1.1
179.10785	0.9
179.14409	4.3
194.87817	0.7
195.13919	14.8
204.63217	0.6
205.12343	11.2
206.12880	1.4
223.13388	72.1
224.13687	5.2
227.03252	4.9
245.04294	1.8
245.72026	0.6
253.21709	26.7
254.22113	2.0
255.23347	1.0
327.31082	0.6
359.12537	4.8
433.16153	4.3
451.17371	100.0
452.17703	11.4
483.27826	0.7
563.41681	0.7
687.38953	44.7
688.39307	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	687.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84621	0.7
55.35944	0.7
59.01378	1.7
61.98832	1.4
69.03482	3.1
78.95907	32.1
85.69366	0.7
96.96993	2.4
98.20611	1.4
101.83928	0.7
101.86353	0.8
109.06615	0.7
139.34758	0.8
149.09737	0.9
152.99599	45.2
154.00023	1.0
167.10791	4.5
168.10963	0.8
170.91721	1.0
171.00620	5.1
177.12830	0.9
179.10852	1.5
179.14464	4.6
195.13925	12.2
196.14218	1.5
205.12312	11.7
223.13390	67.7
224.13708	5.4
227.03174	4.3
245.04306	1.5
253.21718	24.8
254.22195	1.9
255.23347	2.0
281.24582	0.9
313.97266	0.9
359.12482	4.1
390.26712	0.8
433.16315	3.6
451.17371	100.0
452.17734	14.8
469.80701	0.7
474.91049	0.8
480.68997	0.8
687.38965	44.7
688.39313	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	688.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01370	1.9
61.98829	100.0
65.00324	7.4
66.36792	0.3
69.03446	1.8
71.01384	1.7
71.56986	0.4
73.02946	0.6
75.00880	0.3
80.41074	0.3
81.03496	0.6
83.01376	3.8
83.04990	0.4
85.02975	1.0
87.00894	0.4
89.02445	0.7
93.03486	0.9
95.01398	1.2
95.05077	0.4
96.21029	0.3
97.02972	1.9
98.66888	0.3
101.02435	0.7
107.01402	13.3
108.02219	0.8
109.02979	2.6
113.02508	0.7
119.05081	0.4
121.02959	1.0
122.03799	0.6
123.00894	3.7
123.04554	1.1
124.01681	8.6
124.02519	0.6
125.02470	27.1
126.02798	2.4
131.01422	0.9
133.01476	0.6
133.03032	0.8
134.03783	1.2
135.04538	34.6
136.04889	1.3
137.02443	2.8
139.03989	0.5
145.02969	0.4
149.02460	1.0
149.06133	0.4
149.99609	11.9
151.00383	65.0
152.00746	3.3
153.01880	0.4
155.10786	1.3
160.01671	1.4
161.02444	2.8
163.11230	0.3
164.01149	0.5
165.01956	2.0
165.05588	0.4
167.03535	0.9
168.00653	25.7
169.01306	5.4
171.10283	3.0
175.00383	4.1
175.04005	2.2
176.00822	0.4
177.01881	1.6
177.05591	0.3
188.76630	0.3
193.01460	1.2
193.05016	0.8
199.09869	0.3
201.11349	0.6
203.07156	0.4
205.01480	0.3
205.05016	0.4
207.10150	0.4
209.11809	5.1
211.02385	0.3
225.11316	1.8
227.12981	0.5
253.09123	0.5
269.04327	0.4
271.06110	0.9
285.03848	0.5
287.05591	59.6
288.05997	5.3
293.09793	0.3
301.03925	0.3
301.07156	1.4
311.05530	0.4
323.07718	0.6
337.09229	8.4
338.09726	1.0
373.25897	1.0
374.26001	0.6
489.10526	2.4
625.15717	25.7
626.16107	5.8
687.32336	26.5
688.32745	27.2
689.33154	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	687.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72961	0.4
57.03433	0.6
59.01382	2.0
69.03460	1.7
71.05018	1.2
78.95908	31.0
83.05013	0.5
85.06586	0.5
92.84804	0.5
96.96965	2.4
96.97489	0.4
98.19910	0.9
109.06601	0.8
125.09738	0.6
127.05015	0.5
135.11746	0.5
149.09717	0.6
150.98050	0.9
152.99602	48.6
153.09200	0.5
153.99940	1.0
167.10776	3.5
171.00648	4.7
177.12907	0.7
179.10814	1.8
179.14427	3.7
195.13896	12.9
196.14232	0.9
205.12338	11.3
206.12698	0.8
223.13390	71.1
224.13733	6.4
227.03235	5.5
245.04254	1.5
253.21710	27.9
254.21994	2.9
255.23314	1.5
267.60941	0.4
316.99655	0.4
349.39734	0.4
359.12726	5.2
433.16382	4.0
434.16949	0.5
451.17368	100.0
452.17719	13.3
483.27182	0.6
687.38989	43.1
688.39240	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	687.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
56.00866	0.5
57.03429	2.7
58.00591	0.9
59.01382	12.5
61.60206	0.6
61.98832	32.2
63.02402	0.6
65.00322	7.9
69.03445	1.3
69.36736	3.8
69.37148	1.8
71.01392	14.1
72.99315	4.6
73.02943	2.7
75.00875	10.4
78.95909	1.6
80.02680	1.2
81.03455	2.4
81.29002	0.6
83.01402	6.5
83.05035	5.5
84.02173	2.1
85.02962	14.9
87.00896	4.2
88.98807	2.3
89.02441	4.5
93.03447	2.6
95.00887	0.6
95.01389	4.1
95.05019	1.3
96.62991	0.6
96.95973	0.7
97.02943	2.3
97.06578	0.7
99.00891	7.5
101.02440	4.5
103.00357	0.6
104.61859	0.6
107.01406	15.4
107.05081	0.6
108.02211	1.4
109.02969	5.4
109.06586	2.2
111.00878	1.4
111.04515	1.1
113.02470	14.2
115.00385	1.4
116.92880	0.9
117.01935	1.1
119.03571	0.7
119.05051	3.4
121.02975	3.5
122.03732	2.2
123.04540	4.5
124.01622	1.4
124.04906	0.7
125.02466	6.9
125.09698	1.0
126.02773	0.7
129.01923	1.3
130.80946	0.5
131.01376	0.9
131.03560	0.7
134.03752	1.1
135.04541	34.1
135.08167	2.2
136.04903	1.8
137.02448	7.7
139.04027	1.0
145.02896	2.2
149.02451	2.4
149.06029	1.2
150.03271	0.9
151.00391	55.0
151.03989	3.1
151.07651	0.7
152.00711	2.4
157.01578	0.5
159.04482	0.8
161.02470	3.3
161.04572	1.2
161.06020	1.3
163.03976	1.6
163.11287	4.4
164.01141	1.4
165.01965	6.8
165.12830	2.2
167.03439	1.2
168.00662	1.4
169.01421	2.3
169.12349	1.4
171.10263	3.5
173.06122	1.1
175.00337	2.1
175.02441	2.8
175.03990	1.5
177.01881	1.4
177.04033	1.1
177.09343	0.6
179.03503	1.0
179.10783	1.4
181.12347	1.6
187.03951	1.1
191.03497	1.5
191.10796	1.4
193.01294	1.0
197.11894	3.9
199.01874	2.0
199.09741	0.5
201.05519	1.0
203.07076	2.2
205.05008	1.9
205.08801	0.6
207.10190	2.1
209.11844	63.6
210.12189	5.2
215.07091	1.5
223.09802	1.0
225.11279	2.6
227.12859	5.8
235.08159	0.8
245.08083	0.7
249.06023	1.2
253.09135	0.9
269.04510	0.9
271.06076	7.1
272.06247	1.1
285.03897	0.6
287.05615	61.0
288.05917	6.4
289.07056	2.2
301.07047	1.8
459.18604	0.7
477.19736	2.8
487.27591	1.1
487.34225	16.8
488.34851	4.0
489.34561	2.5
525.24481	2.6
525.33459	1.0
526.24628	0.8
535.25024	1.7
609.32544	1.6
627.36853	0.7
651.30164	1.0
669.30914	2.3
687.31958	100.0
688.32275	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	687.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
57.03450	1.3
58.00623	0.5
59.01376	7.0
61.98828	17.4
68.99819	3.3
69.03458	1.8
71.01382	14.9
71.01780	0.8
71.05032	0.4
72.99319	1.8
73.02953	2.0
75.00898	0.8
78.95920	0.9
80.02676	1.0
81.03471	2.3
83.01392	2.1
83.05029	6.4
84.02200	1.0
85.02951	2.5
87.00882	1.6
88.98815	0.5
89.02454	3.6
95.01398	0.9
95.05024	1.3
97.02971	2.8
97.06620	1.8
99.00871	0.9
99.04537	0.5
101.02447	4.7
107.01442	0.7
107.05044	0.7
108.02186	0.5
109.02985	1.1
109.06612	3.5
110.03751	1.1
111.00907	0.5
111.03812	0.8
111.04535	7.7
111.05247	0.7
111.08197	0.6
111.13377	0.5
112.04841	0.6
113.02467	3.7
119.03524	1.0
122.03789	1.0
123.04543	1.9
123.08171	1.4
125.02476	1.8
125.06114	1.5
125.09735	4.0
127.11287	0.9
135.04546	0.8
135.08145	1.5
136.05324	1.0
137.02480	1.0
137.09673	0.7
139.07660	0.5
141.01884	0.6
142.02835	0.5
143.03506	0.5
145.02960	0.7
145.05066	0.6
149.02411	0.5
149.06120	0.7
149.09711	1.0
149.81812	0.4
151.00404	1.3
151.04048	0.9
151.11284	2.1
152.99622	0.5
153.09253	1.8
155.03552	0.5
155.10823	1.1
161.02512	0.5
161.04564	2.1
161.09708	4.1
162.46381	0.5
163.11292	5.5
164.01193	0.5
165.09196	1.3
165.12843	2.7
167.10832	0.8
169.12360	1.5
171.10278	35.0
172.10648	2.0
177.01927	0.6
177.09264	2.6
179.05638	0.8
179.07178	0.5
179.10768	7.3
179.14389	0.5
180.11191	0.5
181.08679	0.5
181.12341	1.5
185.11842	2.8
187.04099	0.5
187.09755	1.0
191.10835	1.3
195.10188	1.3
195.13924	1.8
197.11803	4.7
199.09709	1.3
201.11295	5.9
205.08710	9.4
205.12344	2.2
206.09035	0.6
207.10251	4.4
209.11826	100.0
210.12140	7.4
211.13380	1.0
213.11392	4.0
221.11751	0.8
223.09784	28.0
223.13329	18.5
224.10088	1.9
224.13712	1.1
225.11324	5.1
226.11743	0.7
227.12881	16.0
228.13248	1.5
229.31972	0.6
235.08154	4.6
241.10806	3.5
253.09227	10.5
254.09497	0.6
271.06213	2.1
287.05756	0.5
289.07294	0.7
298.81787	0.4
373.23471	0.5
397.20044	0.9
398.10983	0.5
407.19244	1.4
415.21146	1.1
433.21567	0.7
441.17499	1.2
443.19092	0.5
445.20657	1.9
459.18527	3.2
459.22803	1.7
460.18750	0.6
461.20038	1.0
465.36023	4.2
466.35931	0.6
477.19803	0.8
525.25110	2.0
625.31085	0.5
633.29236	1.5
643.30341	1.7
651.20789	0.8
651.30383	5.3
652.30597	1.2
659.32550	0.7
669.31268	8.6
670.31421	1.6
687.32275	17.7
688.32379	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	687.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27744	0.3
52.01734	0.4
55.01861	1.0
57.03426	1.4
57.25521	0.4
58.00568	0.6
59.01104	0.6
59.01377	9.7
59.69353	0.4
61.98827	24.4
65.00329	0.5
69.03443	1.8
69.46989	1.5
69.47432	1.8
70.47183	0.4
71.01382	9.1
72.99300	1.2
73.02933	1.9
75.00851	0.6
75.78717	0.4
78.95914	0.6
80.02663	0.9
81.03448	1.6
83.01392	2.2
83.05033	4.7
84.02157	1.3
85.02973	3.0
87.00878	1.3
88.98800	1.3
89.02450	5.0
93.03467	2.4
95.01373	1.4
95.05019	1.2
96.96004	1.7
97.02933	2.2
97.06581	0.4
99.00874	0.5
101.02449	5.3
107.01363	1.1
107.05065	0.5
108.02144	0.5
109.02970	4.2
109.06569	1.6
111.00898	0.6
111.04507	0.8
113.02454	3.2
114.43837	0.4
116.92843	1.5
119.03518	1.0
119.05051	2.5
121.02935	1.7
122.03729	1.7
123.00854	1.2
123.04556	4.4
124.01679	3.0
125.02470	10.2
125.06068	0.7
125.09684	0.7
126.02807	0.9
127.02946	0.5
133.02931	0.9
135.04506	1.5
135.08159	1.2
137.02455	6.7
139.04044	1.1
139.07640	0.5
145.02919	1.2
149.02483	3.3
149.99625	3.5
150.03180	0.5
150.06834	0.8
151.00389	3.3
151.04042	2.8
151.07639	0.4
151.11302	0.8
153.01917	0.8
153.12816	1.1
155.10733	0.8
156.40765	0.4
160.01625	0.9
161.02409	1.6
161.04547	1.7
161.06013	1.1
161.09657	0.5
162.03133	0.7
162.06833	1.7
163.00371	0.4
163.03981	1.4
163.11288	4.5
164.01169	1.0
165.01956	5.1
165.12862	2.4
167.03368	0.6
168.00653	6.6
169.01154	1.7
169.12350	25.2
170.01112	0.4
170.12645	1.5
171.10266	3.6
173.09715	0.5
175.03958	0.9
177.01884	1.5
177.05540	0.7
177.09222	0.9
179.03506	1.4
179.05544	0.9
179.10785	1.1
181.12335	1.0
187.03996	0.8
188.04626	0.6
189.45872	0.4
191.03546	0.6
193.01442	0.4
197.11838	26.9
198.12192	2.0
199.13403	0.7
201.05525	0.5
201.11343	1.0
202.06281	0.5
203.07065	1.7
205.05003	1.6
205.08739	0.6
207.10309	2.6
209.11827	52.5
210.12141	4.1
213.05498	0.6
213.11308	0.6
215.07050	1.5
223.09711	1.2
225.11281	3.0
227.12903	5.6
241.05043	0.5
245.08060	1.5
253.09207	3.5
257.07870	0.4
259.06134	0.8
271.06104	5.7
285.04160	0.7
287.05643	1.4
288.06259	0.7
289.07169	4.2
301.07065	2.3
303.05060	0.6
329.23309	1.0
373.25638	0.6
433.21005	0.6
439.10443	0.6
461.20081	0.6
489.35779	1.1
507.24142	0.8
525.24915	3.6
526.25793	0.9
535.25372	1.3
615.30475	0.5
627.36963	0.9
653.04272	0.5
669.31342	1.3
687.32043	100.0
688.32434	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	687.3258
Annotation	Kidamycin
Peak:m/z	Relative Intensity
55.01884	0.5
57.03448	1.2
59.01375	5.7
60.99310	0.4
61.98834	8.5
65.00327	0.7
65.48883	0.4
69.03457	3.3
70.98406	0.5
70.98756	0.8
71.01384	6.0
71.05024	2.0
73.02956	1.2
73.68532	0.4
75.00906	0.5
80.02704	0.9
81.03465	1.5
83.01397	1.8
83.05034	3.5
83.58059	0.4
84.02185	1.1
85.02966	1.9
87.00852	0.7
88.98833	0.8
89.02457	2.7
93.03474	1.4
95.01390	1.0
95.05030	1.0
97.02962	0.8
97.06593	1.0
99.00874	0.6
101.02456	3.8
106.60508	0.4
107.01393	0.8
109.02970	1.0
109.06619	0.8
111.04514	0.5
113.02470	2.5
115.00366	0.8
119.03531	0.7
119.05036	0.9
123.04564	0.9
123.08199	1.3
124.01633	0.4
125.02497	1.6
125.06126	0.5
125.09750	1.9
133.01457	1.7
135.04533	1.6
135.08171	0.4
137.02464	1.8
139.04042	0.5
145.03001	0.5
145.05054	0.4
149.02460	0.6
149.06224	0.3
149.09743	0.6
150.03288	0.4
151.00391	4.3
151.04001	0.9
151.11281	2.2
153.12849	1.1
161.02296	0.4
161.04617	1.4
161.09738	2.6
163.11281	3.5
165.01929	0.9
165.12851	2.3
168.00334	0.4
169.12340	0.5
171.10258	1.2
175.04056	0.4
179.05605	0.4
179.10791	6.9
180.80536	0.4
181.12260	0.5
189.76366	0.4
191.03433	0.4
191.05629	0.4
191.10728	0.7
195.89137	0.4
197.11841	66.2
198.12177	3.5
199.13536	0.6
205.05118	0.7
207.10272	0.8
209.11838	43.4
210.12160	3.3
223.09766	1.4
225.11383	0.8
227.12804	2.3
235.08261	0.7
241.10788	3.8
253.09343	2.5
271.06104	3.5
287.05569	2.9
289.07291	0.5
301.07043	0.5
365.01526	0.4
426.77866	0.4
459.18790	0.6
477.19748	2.7
525.25000	1.4
546.46802	0.4
669.31091	1.6
687.32410	100.0
688.32794	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	687.3256
Annotation	Kidamycin
Peak:m/z	Relative Intensity
52.65551	0.4
52.65864	0.4
59.01374	0.9
61.98522	0.8
61.98830	10.0
64.10928	0.4
65.00317	0.4
69.03453	3.7
69.27565	4.1
69.27969	0.9
71.01398	0.8
79.01895	0.8
81.03458	0.9
83.01390	1.4
85.02979	0.5
95.01380	2.7
97.02953	2.7
101.02480	0.5
107.01422	2.1
108.02155	0.7
109.02958	1.6
113.02388	0.5
115.58823	0.4
121.02942	0.5
122.03818	0.5
123.00902	7.5
123.04538	0.6
124.01689	21.2
125.02466	53.4
126.02808	1.8
135.04568	2.5
137.02470	3.9
139.04039	0.6
149.99603	28.9
151.00400	8.8
151.04021	0.6
163.00368	0.5
165.01953	1.3
167.03470	1.2
168.00661	59.6
169.01431	8.2
171.10274	0.7
179.03435	0.5
193.01422	0.7
197.11823	0.5
209.11877	0.8
211.02547	0.6
223.09798	0.6
259.06033	0.6
287.05670	3.5
313.05673	1.1
337.09338	0.5
355.24997	0.6
373.25961	3.2
374.26437	0.6
625.15771	1.5
641.31866	0.6
687.32465	100.0
688.32794	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29286	0.5
52.33179	0.5
57.03440	1.0
58.00574	0.6
59.01384	3.5
61.98830	22.1
65.53287	0.4
68.99825	0.8
69.03461	1.0
69.35194	3.3
69.35616	1.3
71.01375	3.8
72.99306	0.6
73.02934	2.4
75.00864	0.9
81.03465	1.9
83.01408	2.0
85.02952	3.5
87.00868	0.8
87.04496	0.8
88.98803	1.1
89.01489	0.5
89.02462	1.1
93.03468	2.5
95.01403	2.3
95.05054	0.8
96.86665	0.6
97.02938	0.9
97.06622	0.6
98.20615	1.1
99.00909	0.6
101.02450	2.3
108.02184	47.4
109.02972	53.6
110.03313	1.7
113.02479	1.6
116.92924	0.6
117.03505	0.6
119.05049	1.0
121.02959	2.2
122.03755	1.6
123.00883	2.4
123.04530	6.9
123.08154	0.6
124.01699	1.2
124.04887	0.5
125.02439	5.8
125.09747	1.2
133.02943	0.8
134.03755	0.9
135.04536	1.3
136.01633	0.6
137.02460	10.0
137.09750	0.8
138.03085	0.6
139.04054	1.5
145.03035	1.0
149.02469	5.4
149.06041	0.5
149.99643	0.9
151.00380	0.8
151.04034	3.4
152.01169	54.5
153.01961	40.2
153.05559	2.1
153.09248	0.5
154.02289	2.3
155.10817	2.3
157.08696	0.7
161.02425	1.3
161.06079	0.6
163.04008	2.9
164.01144	1.2
164.04424	0.5
165.01959	5.7
165.46078	0.6
167.03542	0.7
168.00618	1.3
171.10289	1.7
173.04695	0.6
173.06126	1.0
175.04073	1.1
175.07690	1.5
176.01151	0.6
177.01906	1.6
178.02711	0.5
179.03488	2.1
185.11934	0.6
191.03587	1.6
199.09819	1.1
201.11310	8.7
202.11530	0.5
203.07185	1.7
205.05052	1.2
205.08821	0.6
209.11836	0.6
214.97202	0.5
215.07085	1.4
227.07193	0.8
229.08705	0.8
247.09737	0.6
271.06342	0.7
285.03897	0.6
287.05811	0.6
289.07220	3.8
301.07074	4.9
315.06793	0.5
367.11963	1.7
371.24329	1.7
375.27609	2.1
385.12820	4.3
386.13199	1.1
387.24008	0.6
389.25436	11.6
390.25891	1.7
391.27008	0.7
394.10629	0.6
397.12869	5.6
398.13303	0.8
439.10321	1.4
455.16492	0.6
465.57764	0.6
499.18262	9.8
500.18243	1.0
523.18396	1.8
535.16425	1.7
687.32642	100.0
688.32953	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	687.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36600	0.3
51.18652	0.4
57.03445	0.5
59.01367	2.0
61.98833	6.9
69.03458	3.5
71.01401	2.2
71.42822	0.6
73.02953	0.5
79.01891	0.4
81.03472	1.3
83.01389	1.9
83.05031	0.9
85.02967	1.2
88.98839	0.6
89.02482	0.4
93.03482	0.9
95.01411	2.5
97.02972	3.1
101.02483	1.0
107.01414	1.6
108.02193	0.6
109.02965	1.8
111.04569	0.6
113.02472	0.8
114.34642	0.3
119.05070	1.0
121.02992	0.9
122.03718	0.5
123.00901	8.1
123.04510	1.2
123.08114	0.4
123.79286	0.4
124.01688	18.7
125.02468	50.3
126.02779	1.7
127.02966	0.3
128.03220	0.4
133.51419	0.4
135.00914	0.3
135.04582	0.9
137.02451	4.6
139.04100	0.4
145.02982	0.4
149.02489	1.2
149.99608	27.3
151.00412	6.1
151.04030	1.3
152.04330	0.3
153.12946	0.4
161.02495	0.7
163.11304	0.4
165.01990	1.7
167.03532	1.8
168.00664	57.0
169.01407	7.3
169.12407	1.9
171.10295	1.5
179.03525	0.8
185.11830	0.6
197.11816	3.7
197.13489	0.5
203.06993	0.3
205.05191	0.4
205.08740	0.4
207.10182	0.4
209.09854	0.5
209.11838	10.4
210.12187	1.1
211.02487	0.5
223.09738	1.0
227.12866	1.2
253.09297	0.7
259.06110	1.1
269.06650	0.6
271.06165	2.5
287.05637	1.4
301.07578	0.4
313.05737	1.2
373.25958	3.6
374.26257	0.4
391.22552	0.4
402.51810	0.4
507.23196	0.4
525.24915	1.3
551.92310	0.3
627.36023	0.4
641.31647	1.0
669.31689	0.5
687.32452	100.0
688.32813	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	686.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23753	0.3
57.03437	0.8
58.00581	1.0
59.01375	15.1
61.98825	3.5
63.62183	0.3
65.40529	0.3
67.76502	0.4
71.00997	0.6
71.01382	11.0
71.59152	0.4
72.01704	0.4
72.99312	1.2
73.02957	0.8
75.00863	1.5
83.01388	1.3
85.02950	4.2
87.00883	1.2
88.98792	0.8
89.02443	8.7
93.03451	1.2
95.01382	1.2
97.02937	0.5
99.00891	0.9
99.82553	0.5
99.92514	0.4
101.02454	6.2
103.64866	0.4
106.06625	1.9
108.02209	2.5
109.02948	2.9
113.02452	4.5
115.01661	0.4
116.92848	0.6
119.03542	2.1
119.05089	0.4
121.02957	1.6
122.06134	2.6
123.04518	1.0
125.02454	1.1
129.01903	0.8
132.02219	0.4
132.04573	2.4
133.02953	0.5
134.03745	0.5
134.06136	12.1
135.04523	0.5
135.06473	0.4
137.02435	2.3
144.04501	0.5
145.02933	0.9
149.02467	0.7
150.03191	1.0
150.05600	1.1
151.04013	1.3
152.01144	4.2
152.07179	2.3
153.01965	2.1
155.10809	0.3
158.02460	1.4
160.01596	1.0
160.03992	1.0
161.02475	1.0
161.04532	0.4
163.04031	0.8
164.04562	0.4
164.98546	0.4
165.01828	0.9
165.05579	0.8
174.05525	0.6
175.04005	1.3
176.03537	0.9
176.07172	0.5
177.04022	0.7
179.05659	0.6
190.05072	5.2
191.05565	0.9
192.06699	0.6
193.05029	0.5
198.09383	0.5
205.04996	0.6
208.76656	0.4
211.12312	0.5
215.11888	1.7
223.08676	0.7
224.09337	1.7
227.08238	0.5
236.09441	0.8
239.08139	0.7
239.11876	6.5
240.10175	1.1
240.12361	0.6
241.05072	0.5
241.09756	1.3
251.11823	1.6
253.06125	2.2
253.09676	1.1
255.07683	0.8
255.11250	1.3
265.09674	0.5
266.07010	0.6
267.07736	2.6
267.11221	1.1
268.08481	1.8
268.11856	0.5
271.09717	0.4
277.09814	0.5
279.07626	1.1
280.08511	1.9
281.09329	0.6
283.10852	20.4
284.11151	2.0
289.06927	0.5
291.07870	1.2
295.10895	7.2
296.11270	1.1
300.02753	0.5
305.09293	0.8
306.10004	0.9
309.08722	1.4
314.12454	1.9
315.13385	1.8
321.09009	0.6
323.10294	1.0
327.09790	0.8
327.13458	1.4
337.11942	0.5
338.12704	0.7
386.19067	1.0
402.18219	1.1
430.17578	1.6
490.11356	0.7
582.24487	1.1
610.23944	1.9
611.24158	0.8
626.22949	0.5
627.24316	0.4
636.21332	0.4
654.23187	7.1
655.23938	1.8
658.25848	0.6
686.25732	100.0
687.27075	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	686.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27160	0.4
57.03432	0.5
58.00587	0.8
59.01373	21.6
60.01710	0.8
61.98825	2.3
69.69547	2.8
70.27505	0.4
71.00999	0.7
71.01380	13.0
72.01726	0.6
72.99299	1.6
73.02933	0.8
75.00868	1.9
82.53974	0.4
83.01391	1.0
85.02950	3.7
87.00878	1.0
88.64480	0.5
88.98790	0.6
89.02446	12.1
90.02769	0.6
93.03448	1.1
95.01392	1.3
99.00902	0.8
101.02440	8.3
102.02807	0.6
106.06641	1.7
108.02153	1.1
109.02950	1.3
113.02446	4.8
114.42312	0.5
119.03511	4.5
119.05004	1.0
121.02945	0.5
122.06109	2.6
123.04489	0.5
125.02433	1.0
131.03465	0.6
132.04588	2.0
134.06128	11.6
135.04526	0.8
135.06441	1.0
137.02449	2.2
143.03519	1.0
145.02956	1.6
150.05614	1.1
151.04016	0.5
152.01143	1.6
152.07176	2.2
153.01999	1.0
155.10738	0.7
158.02451	1.0
160.04066	1.7
161.02487	0.9
161.04596	0.9
162.05717	0.7
163.03995	1.1
165.01912	0.8
172.43477	0.4
174.05597	0.4
175.04088	0.6
177.04065	1.0
177.05424	0.4
179.05608	1.6
190.05061	3.2
191.05560	0.8
192.06694	0.6
201.11298	0.6
203.07083	0.5
211.12384	0.7
212.10712	0.8
215.11946	1.5
223.08751	1.0
224.09518	1.6
224.33727	0.4
227.08148	1.1
227.11844	0.5
237.09973	0.5
238.07278	0.5
239.08228	1.0
239.11871	7.9
240.12285	0.6
241.09789	1.5
251.11899	1.2
253.06155	2.1
253.09691	0.8
254.06805	0.6
255.07704	0.7
255.11346	2.1
263.08218	0.5
265.09750	1.7
266.06949	0.5
267.07706	3.2
267.11380	0.8
268.08481	1.4
277.09821	0.6
279.07693	1.9
279.10983	0.7
280.08524	2.5
281.09277	1.0
283.10852	20.9
284.11014	2.1
287.10229	0.7
289.07169	0.7
291.07703	1.0
295.10846	8.5
296.11197	1.3
305.09213	0.6
306.09998	0.8
307.10764	0.6
309.08954	2.3
309.12131	0.7
313.11108	1.0
314.12225	1.5
315.13354	1.7
321.08615	0.8
323.10394	0.9
327.13358	1.0
337.12161	0.6
338.12531	0.7
390.25723	0.6
402.18149	1.3
428.16003	0.6
430.17679	2.5
456.15350	0.7
486.16061	0.6
525.19513	1.0
582.24750	0.7
610.24146	1.7
654.23212	4.7
655.23505	1.0
658.26367	1.1
668.23853	0.6
686.25824	100.0
687.26270	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	685.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.4
59.01380	15.3
61.98833	98.7
65.00328	1.1
65.03973	2.5
69.03464	1.5
69.53534	0.9
69.53827	9.7
71.01385	11.9
72.99323	2.7
73.02948	3.3
75.00861	1.8
76.73519	1.1
78.95930	1.5
80.35938	1.1
83.01392	4.6
83.05013	2.2
85.02961	6.2
87.00896	2.3
87.04525	1.7
88.98813	4.6
89.02451	6.6
93.03471	4.2
95.01320	1.1
95.05064	1.2
96.96024	3.3
97.02966	2.8
101.02448	7.0
107.01421	1.9
109.02953	3.9
109.06552	1.6
111.00904	1.3
111.08169	1.9
113.02466	6.9
116.92888	2.8
117.03467	2.5
119.03542	2.0
119.05035	8.8
121.02976	5.5
122.03732	2.0
123.00867	2.0
123.04523	5.8
124.01646	3.8
125.02467	14.8
125.09708	1.2
133.02953	3.3
134.03806	1.8
135.04535	4.5
136.05309	1.9
137.02469	8.6
139.04024	2.2
145.02991	6.4
146.03317	1.4
147.04570	1.4
149.02444	1.5
149.06142	3.1
149.99562	5.5
150.03185	1.8
150.06877	3.8
151.00415	11.6
151.03998	6.0
152.01057	1.7
161.02444	9.7
161.04562	1.7
162.06877	3.1
163.00478	1.2
163.04027	4.4
163.07643	1.2
164.08429	1.3
165.01936	6.1
165.09143	2.4
167.03465	2.0
168.00662	8.9
169.01421	2.0
171.10283	3.0
175.03999	2.6
177.01929	1.5
179.03456	1.9
179.05620	2.0
179.10794	3.3
185.11856	1.2
191.03479	1.8
195.10266	1.9
197.02261	12.7
198.86856	1.1
205.05212	2.4
207.10172	1.9
209.11832	7.2
211.07715	1.4
221.11861	3.9
259.05972	1.9
271.06104	17.5
272.06497	2.0
287.05661	4.0
289.07123	3.8
317.06580	1.3
325.79446	1.3
351.21686	3.0
371.19070	1.3
373.25830	1.3
448.23242	1.2
478.33447	1.5
485.32520	2.1
487.34302	100.0
488.34573	18.0
513.26843	5.9
522.32025	4.2
523.23315	6.2
523.31067	2.1
524.23676	1.5
603.02100	1.5
625.33197	5.3
626.32556	2.0
649.32062	1.1
685.28870	7.8
685.39124	53.7
686.27710	2.1
686.39655	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	685.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.7
59.01377	3.5
60.22248	0.3
60.99305	14.3
61.98829	40.4
65.00326	3.1
66.90271	0.3
69.03455	1.3
71.01387	7.4
71.05029	0.7
71.56792	0.5
73.02943	2.2
75.00854	0.7
78.95901	1.0
81.03455	0.4
83.01396	2.5
83.05044	0.5
85.02960	3.4
87.00859	0.8
87.04521	0.6
88.98811	70.7
89.02428	1.2
89.22219	0.5
89.99168	0.8
93.03465	2.5
95.01402	0.9
95.05002	0.4
96.96024	4.5
96.96963	0.5
97.02972	1.2
97.06606	1.1
99.00887	1.0
99.04518	1.1
101.02441	3.0
106.93277	0.4
107.01397	5.5
107.05056	0.6
107.44048	0.4
108.02184	6.9
109.02972	7.2
111.08171	0.6
113.02462	3.6
113.09724	0.7
115.00357	0.7
117.03438	1.8
119.03592	0.4
119.05017	1.5
121.02959	1.5
122.03753	15.7
123.00875	1.1
123.04551	14.2
123.08164	2.3
124.01669	1.2
124.04874	0.9
125.02466	8.8
125.09712	1.1
127.04004	0.5
127.11364	0.8
131.01433	0.4
133.01404	1.0
133.02994	0.8
134.03737	0.6
135.00948	0.5
135.04536	14.9
135.08192	0.4
136.04845	0.4
137.02470	5.6
137.09663	0.7
139.07707	0.4
139.11284	1.6
139.43056	0.3
141.09203	1.1
143.03514	0.4
145.02957	5.9
147.36996	0.4
149.02493	1.0
149.99597	1.9
150.03088	0.5
150.06871	3.7
151.00389	29.1
151.04018	1.0
152.00993	1.4
153.01909	1.7
153.02998	0.4
155.10780	2.3
157.12357	0.9
159.03024	0.7
159.04472	0.4
161.02536	1.8
161.04597	4.0
161.05959	0.7
163.00406	0.7
163.04044	2.1
163.07629	1.0
164.08369	0.5
165.01904	1.2
165.05644	0.8
167.03511	0.9
168.00684	4.8
169.01456	1.8
169.12340	0.6
171.10243	2.7
175.00340	1.3
175.02567	0.4
175.04004	0.9
177.01950	1.0
177.04088	0.4
177.05650	0.6
179.10762	1.5
185.11830	8.9
186.12135	1.0
193.01422	0.6
199.09799	0.4
199.13463	0.5
201.11368	2.4
203.07076	0.4
205.05113	0.4
209.11786	0.6
214.12112	1.1
215.12817	0.9
227.12967	0.6
228.13583	0.7
229.14514	0.6
267.19711	0.6
271.06039	1.4
283.02536	0.7
285.09808	3.1
287.05588	19.9
288.05890	2.0
289.07153	1.0
293.14099	0.4
301.03400	0.6
307.08130	4.4
327.21869	1.2
351.21579	0.5
355.24802	3.6
356.25198	0.9
358.26569	0.5
359.27933	1.4
365.23895	0.4
371.24353	3.9
372.24771	3.1
373.25925	100.0
374.26254	11.2
389.25671	0.5
415.27118	0.6
459.09576	0.6
477.32474	0.6
483.18427	0.6
517.30005	0.6
523.23145	1.0
523.32465	0.7
587.30524	1.3
595.14636	22.1
596.15039	5.8
641.35199	1.1
685.34589	53.6
686.34747	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	685.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01831	0.3
57.03443	2.5
58.00563	0.5
59.01372	2.3
60.99280	0.4
61.98827	13.8
61.99137	0.7
64.89955	0.3
65.00269	1.0
67.90067	0.3
69.03405	0.9
69.59671	1.0
69.60098	1.0
71.01384	6.6
71.04989	0.4
72.99255	0.5
73.02953	2.7
75.00845	0.7
81.03399	0.7
82.89420	0.3
83.01383	2.5
83.04972	0.6
84.27679	0.3
85.02956	3.7
87.00859	0.5
87.04494	0.6
88.98805	2.1
89.02421	0.7
90.26289	0.4
93.03462	2.4
95.01344	0.9
95.04990	0.3
97.02936	1.4
97.06574	0.7
99.00847	1.0
99.04474	1.2
101.02448	2.6
107.01392	1.9
107.04993	0.9
108.02184	5.9
108.16994	0.3
109.02976	5.0
111.08160	0.4
113.02454	3.6
116.92869	1.9
117.03403	0.6
119.03498	0.3
119.05047	2.1
121.02900	1.1
122.03751	17.0
123.00879	0.6
123.04544	16.5
123.08200	1.3
124.01595	1.1
124.04809	0.7
125.02457	7.1
125.09740	1.9
126.02709	0.6
127.04006	0.4
127.11219	1.0
129.01918	0.3
137.02463	6.0
137.09689	1.2
139.11226	1.3
141.09175	1.0
143.03461	0.6
145.02960	2.1
147.04477	0.3
149.02487	0.4
149.99602	1.4
150.06786	1.2
151.00388	8.1
151.03906	0.7
152.01027	1.0
153.01851	1.2
153.09236	0.3
153.12764	0.3
155.10805	2.1
157.12317	0.6
159.02988	0.4
160.01680	0.4
161.02402	0.7
161.04568	5.1
163.00313	0.3
163.03975	1.2
163.07544	0.5
164.08441	0.3
165.01929	0.6
165.05505	0.6
167.03453	0.5
168.00656	3.6
169.01414	2.8
169.12296	0.7
171.10289	5.1
172.10657	0.3
175.03831	0.5
177.01814	0.3
177.04060	0.6
179.03473	0.5
179.10770	1.6
185.10440	0.4
185.11848	4.6
186.12117	0.5
193.01437	0.4
193.05002	0.3
199.13356	0.5
201.11414	0.3
201.14938	0.4
209.11731	0.4
214.12068	0.7
215.12952	2.0
217.14406	0.4
221.06471	0.4
229.14546	1.5
230.15135	0.5
246.64278	0.3
262.41168	0.3
271.06055	2.6
283.02509	0.3
285.09784	3.3
286.10284	0.3
289.07193	0.6
296.94006	0.3
313.23526	0.5
325.23752	0.6
327.21680	0.7
337.23779	1.0
343.24997	1.9
355.24878	4.2
356.24921	0.4
357.26501	0.4
359.27939	2.0
371.24316	2.5
372.24985	0.6
373.25937	100.0
374.26288	13.4
387.27628	0.4
389.25601	0.7
415.27048	0.5
431.28290	0.6
469.27927	0.4
503.33780	0.3
505.32239	0.3
523.22003	1.2
595.14575	0.4
641.35834	1.3
685.34619	53.0
686.34985	12.0
698.17200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
57.99166	1.2
58.00611	1.8
59.01378	14.9
61.98831	22.5
62.33551	1.2
67.37731	1.0
68.77982	1.1
69.03466	3.6
71.01386	100.0
71.05051	1.1
71.65012	1.6
72.01705	2.2
72.99312	1.7
73.02956	4.9
73.22693	1.1
78.95916	2.2
81.03471	2.9
83.01414	1.2
83.05045	5.9
85.02969	4.2
87.00901	3.0
88.92978	1.0
89.02467	4.9
95.01400	1.1
95.05045	3.3
97.02962	4.0
99.00912	3.7
101.02444	6.9
107.05051	1.9
109.06610	12.2
110.03771	1.7
111.08156	1.3
113.02453	4.5
116.92843	1.1
119.03518	1.7
121.02966	4.4
125.02457	2.8
125.09755	2.5
127.11410	1.3
135.08179	3.1
137.02466	1.0
143.03592	1.6
145.02950	1.5
151.11298	1.3
155.10857	1.3
163.11313	7.9
167.10815	3.0
171.10291	25.0
171.11664	2.1
179.10828	1.7
179.14499	2.7
181.07185	4.8
181.12347	3.9
185.11832	3.6
189.09210	1.4
195.13959	7.3
197.11784	2.3
199.09761	1.8
199.13445	1.9
200.97603	1.1
201.11333	22.2
205.12370	5.4
207.10283	34.1
208.10625	2.6
209.11847	27.5
210.12292	2.5
211.13362	3.1
215.12796	1.5
221.11855	7.9
222.12389	1.3
223.13396	48.8
224.13782	3.0
225.11310	31.8
226.11662	2.8
227.12863	2.2
235.08241	4.6
239.12875	8.4
243.12392	3.4
247.13446	2.2
253.09253	11.2
255.09802	1.3
259.13434	1.4
265.14441	1.6
277.14261	1.5
279.23416	1.5
341.60074	1.6
363.80246	1.3
395.22336	2.6
403.24982	1.3
413.23306	5.8
431.24435	3.0
443.19711	2.2
459.22461	2.2
461.20218	9.6
503.33881	9.2
504.33603	1.8
505.34680	2.4
571.81329	1.5
618.22375	1.2
647.36353	1.3
649.32928	4.3
650.32471	2.1
667.32721	8.0
685.34070	11.0
686.35443	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	685.2726
Annotation	(+)-Secoisolariciresinol diglucoside
Peak:m/z	Relative Intensity
51.68311	0.3
53.43632	0.3
55.78310	0.3
57.03432	0.5
58.00578	0.5
59.01376	13.4
61.98822	2.2
62.30592	0.4
65.60870	0.4
68.52278	0.4
71.01386	8.9
72.99307	0.8
73.02947	1.1
75.00878	1.8
81.03453	0.4
81.20153	0.4
83.01379	0.9
85.02965	2.7
87.00871	0.6
89.02450	5.0
93.03463	0.9
95.01376	0.7
97.02962	0.4
99.00897	0.6
101.02456	4.5
105.01906	0.5
107.05005	0.4
107.28680	0.4
108.02172	1.7
109.02956	1.4
113.02446	2.6
117.03457	0.9
119.03509	1.6
119.04991	0.8
121.02940	0.9
121.08781	0.4
122.03693	0.4
123.04521	1.3
124.01668	2.4
125.02431	0.7
128.98564	0.4
134.03691	0.3
135.04552	2.9
137.02484	2.9
145.02953	2.6
147.04529	0.5
149.02434	2.0
149.99617	0.4
150.03178	0.7
151.02859	0.7
151.04027	14.1
152.01132	1.4
152.04652	0.8
153.01918	0.6
155.10724	0.6
156.46161	0.4
161.02492	0.8
161.04572	0.5
162.03177	0.7
163.04025	32.5
164.04803	13.2
165.05243	0.8
175.04016	1.3
177.01942	3.1
178.02684	2.3
183.34830	0.4
195.03001	6.4
196.03700	1.6
207.02992	8.8
208.03371	0.8
228.02756	0.8
237.12857	0.5
271.02548	0.4
271.05963	0.8
281.11700	1.0
281.94293	0.5
283.13300	1.1
284.13644	0.4
299.01956	0.8
299.16403	2.8
300.02368	0.7
301.03326	0.6
302.03845	0.7
342.14456	0.5
343.15411	1.5
375.27441	0.9
403.12396	0.4
478.22168	1.3
479.22723	0.8
489.17661	0.8
493.17126	1.0
504.19888	2.1
505.20364	1.5
507.18723	1.8
522.21008	10.6
523.21661	2.8
537.32648	6.5
538.33099	1.3
613.17932	0.7
622.15210	1.8
655.71863	0.5
667.26044	0.7
685.27179	100.0
686.27551	23.0
706.55200	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01376	4.4
61.98827	5.1
69.03454	3.4
71.01383	0.7
73.02937	0.3
78.95924	0.3
79.01903	0.3
81.03461	1.3
83.01405	1.7
85.02950	0.5
88.98783	0.5
89.02468	0.4
93.03468	0.7
95.01393	2.6
97.02956	3.2
101.02489	0.4
107.01415	1.7
107.05026	0.3
108.02217	1.0
109.02977	1.2
111.00852	0.4
113.02464	0.5
119.05046	0.8
121.02985	0.9
123.00898	8.7
123.04541	1.2
124.01680	22.3
125.02460	53.0
126.02799	2.0
135.04559	0.4
136.01675	0.3
137.02464	3.2
139.03993	0.5
143.81537	0.3
145.02969	0.8
149.02469	0.8
149.99599	31.1
151.00389	4.8
151.04031	0.6
152.01111	0.4
155.44791	0.2
161.02455	0.8
163.00323	0.3
163.04015	0.4
165.01935	0.6
165.05600	1.2
167.03517	1.6
168.00655	59.7
168.99673	0.4
169.01418	7.8
170.01752	0.3
171.10223	0.2
174.45583	0.3
175.04123	0.3
177.01868	0.3
179.03419	0.3
181.01395	0.3
185.11852	0.6
190.49825	0.3
193.01427	0.4
201.11407	0.3
211.02518	0.4
271.06070	0.5
313.05621	1.0
314.11292	0.4
329.14093	0.6
341.13983	0.4
341.23132	0.7
371.24411	3.1
372.24728	0.4
373.25714	0.5
375.27512	2.2
376.27780	0.3
471.09198	0.3
523.23523	0.3
639.30316	0.6
655.29352	0.3
667.30109	0.3
685.30847	100.0
686.31207	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13251	0.4
57.03437	0.6
59.01376	3.7
60.99311	0.4
61.98832	24.1
62.30476	0.4
64.96646	0.3
65.00330	0.7
69.03454	4.8
71.01390	3.4
73.02958	1.0
78.95921	0.7
81.03473	1.3
83.01405	2.2
83.05059	0.7
84.08337	0.4
85.02970	1.5
87.00883	0.5
88.98834	1.1
89.02453	1.0
93.03480	1.5
94.58484	0.4
95.01410	2.4
96.96068	0.4
97.02959	4.6
98.19916	1.1
99.00887	0.4
99.04561	0.5
101.02489	1.7
106.96184	0.4
107.01411	2.6
107.05097	0.5
108.02206	1.1
109.02956	2.3
110.87239	0.4
113.02509	1.1
116.92872	2.1
117.03500	1.1
119.05045	12.4
120.05379	3.9
120.99699	0.6
121.02981	1.6
123.00901	9.1
123.04570	1.5
124.01694	24.3
125.02469	66.4
126.02802	2.2
133.02986	1.0
135.04535	1.4
136.01733	0.4
137.02472	4.2
139.00385	1.2
139.04024	0.7
139.11392	0.6
145.02980	2.5
146.03406	0.5
149.02449	1.4
149.06017	0.6
149.99608	33.3
150.03229	0.7
150.06898	1.3
151.00410	7.9
151.04015	1.7
152.01039	0.6
153.01845	0.5
153.05516	0.5
155.10838	0.6
156.50977	0.4
161.02449	2.1
161.04585	0.8
162.06885	1.1
163.04039	6.9
164.04405	3.0
165.01874	1.2
165.05573	1.1
165.98874	0.4
167.03568	2.2
168.00665	67.9
169.01422	9.8
175.03951	0.8
177.01920	0.7
177.09236	1.4
178.66153	0.4
179.03522	0.6
179.10684	0.9
181.01454	0.5
185.11816	1.3
193.05029	0.4
195.06654	0.5
201.11348	0.9
205.05064	0.7
209.11740	1.1
211.02388	0.6
211.07643	1.1
259.06104	1.7
271.06082	3.9
287.05716	2.0
289.07037	0.6
301.07059	0.8
313.05612	1.5
327.21704	1.6
329.23187	0.4
341.22919	0.8
353.23074	0.8
371.24368	2.9
372.24585	0.7
375.27322	0.5
380.97165	0.5
413.79010	0.5
483.18292	0.7
513.26678	1.6
523.24054	2.1
523.31415	0.5
639.30316	0.8
685.30609	100.0
686.31018	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
57.03446	0.3
58.00595	1.6
58.80713	0.2
59.01376	28.2
60.01706	0.4
61.55896	0.3
65.85292	0.2
71.01383	19.6
71.05009	0.5
71.29255	0.3
71.29660	0.5
72.99306	2.1
73.02941	0.8
75.00885	0.4
78.95906	0.3
79.65247	0.3
83.01391	1.1
85.02951	4.1
87.00887	1.3
88.98816	0.3
89.02446	21.5
90.02797	0.4
93.03452	0.6
95.01396	1.5
96.96991	0.2
97.02940	0.4
99.00899	0.3
99.04488	0.3
99.92577	0.3
101.02452	14.6
102.02744	0.3
107.51787	0.2
108.43613	0.2
113.01708	0.5
113.02458	7.5
114.02745	0.3
115.00418	0.3
116.92871	0.5
117.05579	0.3
119.03511	10.6
119.05029	0.7
120.03840	0.3
121.15161	0.3
124.01682	0.6
125.02463	4.1
131.03549	0.7
135.04520	0.5
137.02464	0.8
143.03477	0.9
147.06636	1.6
149.02470	0.3
149.04582	0.7
149.99577	1.8
151.00386	0.2
161.02486	0.4
161.04541	0.4
163.04027	1.0
168.00655	4.5
169.01347	0.4
173.04550	0.3
179.03468	0.4
179.05586	1.1
191.05653	1.9
192.08289	0.2
193.77020	0.2
210.35164	0.3
212.97644	0.3
238.64488	0.3
279.10825	6.0
280.11249	0.7
309.11902	100.0
310.08652	0.4
310.12241	9.8
313.05627	0.8
331.06677	10.9
332.07028	1.1
340.88904	0.3
375.06848	1.3
463.14847	0.5
685.19934	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03439	0.7
58.00579	1.8
59.01376	36.1
60.01711	0.5
60.99300	0.4
66.60893	0.4
69.03459	0.3
71.01385	26.0
71.05020	0.8
71.62379	0.5
72.01726	0.5
72.99309	2.4
73.02935	1.0
75.00868	0.5
78.95915	0.5
83.01392	1.1
83.05734	0.4
85.02962	5.4
85.38683	0.4
87.00882	2.2
89.02451	30.2
90.02782	0.5
93.03467	1.2
95.01387	1.6
96.95992	0.5
97.19619	0.3
99.00876	0.6
99.04540	1.3
101.01781	0.9
101.02453	17.6
102.02808	0.4
104.05975	0.3
113.02459	11.2
115.00330	0.4
116.05043	0.4
116.92879	0.5
117.05594	6.6
118.05917	0.4
119.03513	11.5
119.04914	0.7
124.13122	0.3
125.02451	1.0
131.03517	1.2
135.04582	0.5
143.03519	2.0
149.04547	1.1
151.04265	0.3
153.01958	0.6
159.03209	0.4
160.04033	1.2
161.04597	2.2
163.04013	1.1
164.04393	0.4
165.01982	0.6
167.03508	0.3
168.00578	0.4
169.01375	0.4
173.04527	0.8
179.03467	1.4
179.05580	2.3
183.47194	0.3
191.05652	2.7
195.06604	1.2
204.03093	0.7
279.10840	100.0
280.11206	6.9
309.11972	0.6
323.13565	1.0
331.06805	1.0
357.12015	0.7
361.14914	0.4
685.19440	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
56.19682	0.4
57.03469	1.8
59.01376	4.6
60.83297	0.3
60.99335	0.4
61.98828	31.7
69.03465	0.7
69.40607	1.9
69.41035	1.7
71.01384	10.5
71.01746	0.7
71.05034	0.8
72.99348	0.5
73.02943	3.1
75.00876	0.4
78.95926	1.0
81.03504	1.0
83.01420	1.7
83.05052	1.3
85.02955	4.5
87.00885	0.8
87.04559	1.4
88.98810	2.5
89.02480	1.4
93.03497	1.9
95.01437	1.1
95.05096	0.8
97.02988	1.2
97.06642	1.3
98.20262	1.9
99.00900	0.8
99.04545	1.8
101.02461	4.8
107.05062	0.7
108.02184	7.3
109.02984	5.0
111.00933	0.5
113.02445	4.6
113.06107	0.4
116.92875	0.8
117.03527	1.1
119.03526	0.6
119.05038	3.7
120.05422	0.4
121.02973	1.1
122.03755	18.0
123.04549	16.2
123.08183	1.1
124.01704	0.8
124.04882	0.6
124.22440	0.3
125.02471	4.5
125.09730	2.8
127.11365	0.4
129.01949	0.5
131.01006	0.6
131.03503	1.1
133.03073	0.6
135.04578	1.3
135.08229	0.4
137.02461	5.1
137.06107	0.4
137.09770	0.7
139.11333	1.5
141.09187	0.4
141.12856	0.4
143.03535	0.8
145.02950	4.3
146.03333	0.5
147.04570	0.6
149.02458	0.5
149.99628	1.1
151.00401	1.6
151.04068	0.4
151.11330	0.8
152.01245	0.7
153.01968	0.8
155.10825	1.7
159.03015	0.7
159.04361	0.4
160.01689	0.6
161.02499	0.8
161.04552	7.5
163.04021	4.3
165.02045	0.3
165.05585	1.2
167.03543	0.4
168.00697	1.6
169.12355	0.6
171.10278	7.4
172.10628	0.4
175.04033	0.7
177.05539	0.6
179.03503	0.8
179.05667	0.5
181.07213	0.9
181.12352	0.7
185.11826	3.7
193.04982	0.4
197.11920	0.8
199.09851	0.5
199.13342	0.8
201.11501	0.6
209.11938	0.8
211.07733	0.7
214.12134	0.6
215.12885	1.0
225.11389	0.7
227.12938	1.8
229.08704	0.7
243.16008	1.2
250.37305	0.4
255.02844	0.4
257.08179	1.0
271.06149	1.8
285.04108	0.9
285.09802	4.7
286.04410	0.8
287.05920	0.5
311.22418	1.0
323.22308	0.7
325.23926	0.5
327.25446	1.2
335.22299	0.9
339.25403	1.5
341.23358	7.8
342.23721	1.1
343.12479	3.2
353.23291	7.9
354.23795	0.8
355.24860	0.6
357.26489	15.1
358.26730	2.0
369.22760	1.6
371.24384	100.0
372.24698	13.4
375.27563	0.5
413.25635	0.6
426.27646	0.4
460.87012	0.4
467.26389	0.5
572.95734	0.4
586.15143	1.5
639.33752	1.0
666.32245	0.6
683.32880	54.1
684.33221	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	683.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76918	0.9
57.03442	5.7
59.01105	1.0
59.01378	14.4
61.98795	1.1
65.79676	0.9
67.01867	1.1
69.03455	1.3
71.01384	20.1
71.40192	0.8
71.59169	1.5
72.99294	4.1
73.02947	2.1
75.00876	58.9
83.01364	1.7
84.02158	1.5
85.02965	15.9
87.00890	10.5
89.02443	8.7
93.03458	13.2
94.03757	1.3
96.95986	0.9
97.02927	2.2
99.00885	8.5
101.02474	5.5
108.02163	1.0
109.02944	1.4
111.00861	4.5
111.04456	0.9
113.02414	3.5
115.00372	5.0
117.01910	1.1
117.03463	0.9
119.03573	1.5
119.04272	1.5
119.05042	25.7
121.02957	2.5
123.04510	1.2
125.02444	1.8
129.01961	30.1
130.08736	2.2
132.04546	1.0
133.02934	2.2
134.03741	1.5
135.04529	1.5
136.01566	1.5
139.00398	1.0
141.02017	4.5
141.02870	1.0
143.05046	5.2
145.02922	4.1
151.03932	3.1
159.02998	14.4
163.02808	1.7
163.04034	27.2
164.04303	1.6
172.09732	3.6
173.04590	4.7
177.04060	24.1
191.05630	13.5
193.05043	1.3
195.05107	96.0
196.05470	4.6
210.06720	3.9
211.07652	82.5
212.07941	7.1
223.07545	2.0
237.09215	4.6
265.06339	1.0
265.08676	10.6
283.09732	2.9
297.12308	1.7
309.07617	4.4
311.07553	2.7
327.08752	23.8
328.08841	2.4
337.09024	3.9
341.08649	6.8
355.12723	3.4
355.44684	0.9
358.13318	1.2
399.11685	1.4
424.53979	1.1
431.14334	4.0
485.15570	1.8
487.12134	4.5
505.13495	7.0
506.13672	1.4
521.19989	2.0
578.71112	1.0
607.16095	3.0
639.23773	1.1
665.17358	23.4
666.17645	5.2
683.18140	100.0
684.18457	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	682.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28890	0.1
59.01375	0.4
61.98828	100.0
62.98529	0.2
68.99788	0.1
71.01384	0.4
72.99317	0.1
75.00881	0.3
83.01416	0.1
85.02982	0.2
88.98817	0.3
89.02461	0.1
93.03491	0.2
93.45699	0.1
101.02445	0.1
109.02974	0.2
113.02456	0.1
114.23203	0.1
119.05056	0.3
125.02447	0.1
129.02016	0.1
145.03014	0.1
151.00363	0.1
155.10809	0.2
155.76805	0.1
156.00053	0.1
163.04027	0.2
172.05264	0.1
177.04085	0.1
183.04639	0.1
185.06120	0.1
187.07664	0.9
195.05139	0.1
197.18092	0.1
213.09230	0.1
215.07214	0.2
227.03555	0.2
241.05113	0.1
255.02986	2.0
256.03534	0.2
257.08191	1.5
259.81439	0.1
283.02481	6.4
284.02893	0.8
285.04056	1.7
286.04398	0.2
373.03424	0.1
383.12024	0.1
422.61096	0.1
430.09055	1.6
431.09625	0.7
473.11044	0.1
487.55005	0.1
619.16779	6.1
620.17163	1.3
639.20062	0.1
683.22961	0.2
683.27502	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.1
59.01376	14.2
65.48468	1.0
66.60315	0.9
67.01879	1.2
68.99805	1.5
69.03438	1.1
71.00997	1.2
71.01379	17.8
71.63443	1.1
72.99277	3.5
73.02930	1.3
74.14749	0.9
75.00874	63.5
82.02966	1.5
83.01369	2.3
85.02951	16.5
87.00875	11.7
89.02440	6.3
93.03461	8.0
95.01379	1.2
96.99303	1.2
99.00884	7.3
101.02432	3.4
101.21867	1.1
108.02151	2.4
109.02940	1.6
111.00896	5.0
113.02438	4.0
115.00375	5.1
115.03979	1.2
119.04252	1.6
119.05036	23.4
125.02425	1.5
129.01958	30.2
130.08681	1.5
130.36681	1.1
132.04565	1.3
132.05684	1.1
133.02983	2.4
134.06104	1.4
137.02371	1.5
141.01880	4.0
143.05038	6.2
145.02902	4.0
149.02382	1.1
151.04054	2.5
159.03000	15.0
163.04031	24.0
172.09711	2.1
173.04521	2.7
177.04068	20.6
191.05565	10.6
195.05104	96.1
196.05377	4.2
201.52815	0.9
210.06764	2.8
211.07643	82.6
212.07953	8.1
237.09122	3.5
265.08688	10.4
283.09528	2.4
297.12173	2.2
309.07642	4.3
311.07617	1.6
327.08743	17.7
328.09085	2.6
337.09140	1.9
341.08783	6.4
355.12930	2.4
359.14145	1.4
400.34830	1.3
431.14252	3.8
469.11075	1.1
485.15594	1.7
487.12546	5.2
505.13367	7.4
506.13269	1.3
521.12555	2.0
607.16595	2.6
618.05103	1.2
665.17468	25.8
666.17462	5.0
683.18134	100.0
684.18542	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	682.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81407	0.1
53.85796	0.1
56.59291	0.1
56.92091	0.1
59.01373	0.6
61.98827	100.0
62.67364	0.1
62.98524	0.1
62.99268	0.1
65.38398	0.1
69.23291	0.2
69.23703	0.7
71.01403	0.2
71.15216	0.1
75.27244	0.1
85.02984	0.1
89.02451	0.1
108.02188	0.1
109.02972	0.1
113.02467	0.1
125.02523	0.1
151.00418	0.2
152.01222	0.1
163.04076	0.1
179.03410	0.1
179.10669	0.1
182.02222	0.1
183.04526	0.2
187.07729	0.2
196.65633	0.1
211.03981	0.1
217.16359	0.1
222.12354	0.1
227.03484	0.1
254.21019	0.1
255.02969	3.1
256.03363	0.2
257.04446	0.1
257.08124	0.4
261.62939	0.1
283.02469	7.8
284.02786	1.0
285.04041	1.6
285.07098	0.1
286.04434	0.1
373.25992	0.1
429.08200	0.2
430.09055	2.3
431.09528	0.5
473.11398	0.2
521.17053	0.1
535.31146	0.3
603.45227	0.1
619.16797	8.3
620.17139	1.7
683.22437	0.1
683.35492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48130	0.1
58.35752	0.1
61.34445	0.1
61.98829	100.0
62.76418	0.1
62.98547	0.2
62.99255	0.1
65.00364	0.1
69.46624	0.5
69.47042	0.3
83.01387	0.1
86.05812	0.1
107.01440	0.1
124.82679	0.1
145.07919	0.1
169.06569	0.2
171.04507	0.1
183.04465	0.2
185.06064	0.2
187.04115	0.2
189.05498	0.2
211.04004	0.2
213.05658	0.3
214.02591	0.1
215.03526	0.1
221.27003	0.1
227.03542	0.4
229.05022	0.2
243.02867	0.1
255.02972	3.2
256.03412	0.3
257.04684	0.2
283.02469	7.9
284.03033	1.0
285.04034	10.3
286.04407	1.0
365.05969	0.1
373.98520	0.1
430.09042	1.6
431.09802	3.1
432.10309	0.3
473.10898	0.2
619.16791	12.7
620.17188	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	680.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
71.26805	0.3
78.95917	0.4
91.14497	0.2
100.87632	0.1
103.61750	0.1
104.66978	0.1
123.75617	0.1
148.14412	0.2
187.50888	0.2
189.86760	0.1
201.11472	0.2
209.11855	0.4
239.06093	0.1
255.23441	0.4
338.75937	0.2
680.41718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68489	0.2
57.03461	0.5
59.01367	1.5
60.99291	0.9
61.11017	0.2
61.98828	15.5
65.00323	0.3
71.01375	1.7
71.59414	0.3
72.99284	0.3
73.02953	0.4
75.00867	0.7
78.95905	0.8
81.03439	0.2
83.01400	0.5
83.05042	0.5
84.89144	0.2
85.02973	0.6
87.00885	0.4
88.98811	4.7
89.02460	0.5
93.03467	1.8
96.96031	0.3
99.00887	0.2
99.04533	0.3
99.92622	0.3
101.02456	0.9
107.01391	0.6
108.02208	0.3
109.02971	0.6
113.02451	0.7
116.92888	1.4
117.03478	1.0
119.05038	100.0
120.05367	4.7
121.02975	1.8
122.03743	0.3
123.04514	0.4
125.02465	1.7
125.20207	0.2
134.03783	0.2
135.04561	0.6
137.02481	1.4
145.02972	3.2
147.04485	0.4
149.02449	0.3
150.03258	0.3
151.00412	1.9
151.03990	0.8
152.23924	0.2
153.01979	0.3
160.01704	0.6
161.02473	0.8
161.04599	0.6
163.04019	67.6
164.01225	0.4
164.04353	3.5
165.01917	0.9
165.05545	0.8
168.00710	0.4
171.10315	0.3
175.04012	0.6
177.01920	0.5
178.99974	0.2
179.03488	0.2
191.03325	0.3
191.05704	0.2
193.05052	0.3
207.10283	0.3
209.11848	0.9
223.54318	0.2
225.11256	0.4
271.06079	2.7
272.06323	0.4
283.02429	0.4
285.04138	0.4
287.05594	1.2
288.06046	0.6
289.07098	0.8
323.04517	0.2
349.25562	0.2
355.24786	1.2
371.24457	0.7
373.25940	7.3
374.26233	0.8
415.27170	0.3
435.10880	0.3
481.35239	0.3
517.29993	0.6
519.32062	0.4
535.30731	0.4
594.94238	0.2
619.16315	0.4
645.29358	0.6
646.29443	0.4
676.43915	0.2
681.35205	22.8
682.35638	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	681.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34998	1.0
59.01373	5.0
61.98825	14.8
66.03473	2.5
68.15768	0.9
71.59029	1.0
71.59443	1.0
81.86439	1.0
82.06629	2.8
90.04979	0.8
93.03494	1.1
107.18346	0.9
110.15365	0.8
113.03606	1.0
114.14023	1.2
115.08729	1.3
119.05054	2.3
141.06728	8.2
148.07715	1.0
150.09258	3.5
163.03983	2.3
167.83284	0.9
177.11560	3.7
177.13994	1.6
179.13138	3.6
180.06689	11.6
189.10291	2.8
193.13541	6.0
203.11847	1.6
204.12700	5.1
206.04637	1.0
216.06584	1.0
218.12045	1.6
218.14264	3.9
261.19693	100.0
262.20016	8.0
291.19809	1.7
304.20288	42.0
305.20633	4.4
376.15158	46.9
377.15500	6.7
471.34451	1.4
681.36383	45.7
682.36530	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	679.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16986	0.7
57.03435	0.8
59.01376	5.0
61.98827	100.0
69.21939	0.7
69.48280	2.8
69.48706	3.3
71.01385	2.8
71.52473	0.8
72.99327	0.7
73.02992	0.7
78.00198	0.8
78.95909	1.3
83.05037	2.0
85.02946	0.8
88.98822	1.9
89.02460	1.6
93.03461	1.3
97.02981	1.1
98.20609	1.2
101.02458	2.0
111.04576	0.8
116.92880	3.8
119.05051	1.7
121.02948	1.5
122.49566	0.7
123.04523	1.5
124.36657	0.7
125.02489	3.0
135.04521	0.9
136.99103	0.8
137.02510	1.2
145.02989	1.4
151.00401	1.5
151.03967	1.6
161.02457	1.7
163.04095	0.8
165.01932	1.3
169.12286	0.9
171.10303	2.0
177.02025	1.0
197.11833	22.7
198.12206	1.6
209.11833	28.8
210.12277	2.0
227.12854	6.4
235.08363	1.2
253.09296	2.3
267.62769	0.8
271.06122	2.7
289.07159	1.1
377.16147	0.7
433.20660	3.3
445.20914	2.5
457.29489	1.3
517.33179	1.5
543.12042	1.8
592.17896	0.8
618.46417	1.2
619.47156	1.2
625.32751	1.3
679.30859	12.6
680.31268	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	680.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.1
59.01376	0.7
61.98830	100.0
62.98550	0.2
71.01396	0.5
71.55918	0.1
73.02935	0.1
75.00886	0.2
78.95934	0.2
80.17903	0.1
83.01382	0.2
85.02973	0.2
87.60492	0.1
88.40281	0.1
88.98812	0.4
89.02467	0.2
93.03496	0.2
95.01425	0.1
101.02465	0.2
107.01421	0.1
109.03000	0.2
113.02528	0.2
116.92869	0.6
117.03478	0.8
119.05053	0.5
120.39631	0.1
121.03016	0.2
123.00972	0.1
123.04533	0.2
125.02465	0.9
133.02998	0.1
135.04526	0.2
137.02484	0.3
139.15549	0.1
145.02969	1.9
147.04575	0.2
151.00436	0.4
151.04088	0.3
161.02480	0.4
163.04024	0.4
165.01932	0.2
167.03510	0.1
168.00652	0.1
171.10292	0.4
172.10568	0.1
178.99927	0.2
191.05687	0.1
205.05048	0.2
207.10353	0.1
209.11928	0.3
213.14999	0.1
223.03665	0.1
259.06180	0.3
271.06247	0.4
287.05624	0.7
289.07306	0.3
372.24811	0.1
373.25986	0.4
534.30109	0.2
535.31104	1.1
680.35791	0.5
681.35327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.5
59.01376	9.6
61.98859	0.6
67.01892	0.8
69.03436	0.5
69.33813	5.6
71.01385	7.9
72.99313	2.7
73.02942	0.7
75.00874	41.2
83.01393	1.0
83.05021	0.8
84.02175	0.7
85.02950	11.6
87.00881	6.3
89.02450	3.8
93.03467	15.8
93.04020	1.0
96.99360	1.0
97.02972	0.7
98.20610	1.0
99.00894	4.7
101.02444	1.7
109.02946	1.1
111.00877	4.6
111.04523	1.7
112.83582	0.6
113.02477	0.7
115.00391	1.6
117.03445	0.6
119.05049	21.8
120.05417	1.1
125.02493	0.8
127.04043	1.1
129.01958	19.5
131.05025	1.1
133.02963	1.7
134.03783	0.7
135.04532	0.9
137.02403	0.9
141.01967	2.6
143.05055	5.9
145.02960	2.1
145.06549	0.9
155.03532	1.6
159.03011	10.6
159.04330	1.1
161.04698	0.6
163.04019	18.9
164.04562	0.8
173.04572	11.4
175.03984	1.4
177.04085	9.0
177.05588	1.1
191.05620	76.4
192.05933	3.9
193.05043	0.7
195.05113	100.0
195.85759	0.9
196.05467	3.9
203.03621	0.7
210.06898	1.2
211.07652	26.9
212.07977	2.6
223.05927	0.7
227.07175	1.1
235.07736	0.7
237.09210	4.3
238.09700	0.7
253.08382	0.7
255.10234	1.7
265.08704	7.8
266.51306	0.6
283.09772	2.6
309.07596	3.5
316.64511	0.6
327.08737	41.3
328.09067	5.0
337.09354	0.8
341.08661	1.4
361.06720	0.7
487.12585	3.8
488.13022	0.9
501.14120	4.4
505.13434	16.4
506.13730	2.5
516.81390	0.7
517.14624	1.8
661.17896	3.2
679.19012	52.5
680.19232	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	679.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26292	0.5
57.03448	1.3
59.01380	4.8
60.99340	0.5
62.20092	0.5
67.01900	0.7
69.03476	0.4
69.71331	2.2
71.01385	5.7
72.28890	0.4
72.99300	1.0
75.00875	12.5
85.02957	8.7
87.00872	3.5
88.98784	0.5
89.02465	1.8
93.03468	24.5
94.03823	1.2
96.99329	4.0
97.02946	0.8
98.19975	0.7
99.00877	2.3
99.04542	0.5
101.02444	0.7
109.02948	1.3
111.00909	0.8
111.04519	1.5
115.00393	2.0
117.03495	1.5
119.05042	17.8
120.05379	0.7
121.02946	0.8
123.04531	1.6
126.03397	0.4
127.04031	1.1
129.01953	7.0
131.05046	3.4
133.02950	3.3
135.04535	0.5
137.02458	1.3
141.01978	0.9
143.03883	1.0
143.05038	16.2
144.05341	0.9
145.02997	3.3
145.06602	1.8
151.04105	0.6
155.03505	1.3
159.03023	3.0
159.04462	0.8
163.04028	13.6
163.05412	0.7
164.04359	0.8
171.04550	2.6
173.04568	12.3
174.05028	0.5
177.04062	11.5
177.05563	0.9
191.05617	32.1
192.05969	1.9
193.06326	0.6
195.05107	19.0
196.99619	0.5
210.06854	0.6
211.07640	12.6
212.07962	0.8
219.08289	0.8
221.09715	1.3
222.06841	0.6
223.07669	2.2
235.07635	3.1
237.09201	8.2
238.09596	0.9
239.10773	1.5
247.07552	0.7
264.07730	0.6
265.08679	23.8
266.09027	2.6
283.09766	2.3
302.01385	0.5
309.07700	6.3
327.08734	100.0
328.09094	10.1
337.09369	2.0
341.08838	6.0
487.12457	6.3
501.14011	3.3
505.13446	19.2
506.13931	3.1
603.16284	0.5
661.18109	4.0
662.18140	1.2
679.18958	53.3
680.19244	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	678.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98830	100.0
62.98532	0.1
63.02410	0.1
65.00321	1.3
69.28678	0.1
71.01393	0.1
71.56738	0.1
72.24854	0.1
83.01393	0.7
93.03493	0.1
96.96956	0.1
100.21664	0.1
107.01405	2.4
109.02985	0.4
116.92891	0.3
119.05017	0.2
125.02468	0.9
131.01414	0.2
134.03831	0.1
135.04536	8.1
136.04897	0.5
137.02472	0.2
145.02953	0.1
149.02425	0.1
151.00389	15.3
152.00700	0.8
161.02487	0.2
163.04070	0.1
165.01944	0.3
169.01413	0.4
175.00381	0.9
179.03584	0.1
193.01433	0.3
201.11292	0.1
205.01582	0.1
269.04446	0.1
271.06104	0.2
287.05609	24.9
288.05951	2.5
311.05426	0.1
347.11606	0.1
417.78223	0.1
472.31357	0.1
479.15350	0.4
517.75659	0.1
615.20966	4.8
616.21210	1.1
643.27643	0.1
648.97418	0.1
660.33527	0.1
678.33881	0.1
679.17212	0.2
679.35803	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	679.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.9
59.01376	10.2
61.98821	1.1
62.82944	0.7
67.01890	1.6
69.97122	3.8
69.97514	1.4
71.01382	12.7
72.99303	2.7
73.02948	1.2
75.00872	42.3
79.19439	0.8
83.01407	0.8
83.05074	0.9
85.02952	15.7
87.00874	9.2
89.02438	4.1
93.03464	28.7
96.99303	1.6
99.00902	5.6
101.02465	2.5
109.02967	1.1
111.00890	3.5
111.04546	3.2
113.02464	1.9
115.00391	2.9
117.03458	1.1
119.05039	21.9
123.04514	1.2
125.02473	0.9
127.04026	1.8
129.01955	21.9
131.05045	3.4
133.02988	2.4
134.03746	1.0
135.04546	1.8
137.02452	2.9
139.07693	1.3
141.01958	3.6
143.05043	12.4
145.03021	1.8
145.06592	0.7
155.03522	1.9
159.03012	8.8
160.01701	0.9
160.03278	0.8
161.02420	1.2
163.02725	1.4
163.04021	17.8
164.04424	1.8
171.04536	1.6
173.04564	21.6
175.03952	1.8
177.04071	11.4
179.03595	1.7
191.05617	78.6
192.05930	3.8
193.05009	1.1
195.05103	100.0
196.05414	3.3
209.08170	3.1
210.06786	1.2
211.07631	31.9
212.07973	2.6
221.09705	1.0
223.07552	1.1
235.07593	3.3
237.09215	6.0
238.09537	1.0
239.10858	1.1
265.08661	19.1
266.08875	2.0
283.09680	3.0
289.07172	1.1
309.07635	7.5
310.07770	0.8
327.08713	58.8
328.09036	7.2
337.09262	3.8
341.08994	1.6
351.12888	1.5
389.14322	0.9
484.84637	0.7
487.12289	6.4
488.12259	1.2
501.14096	5.4
505.13455	19.8
506.13699	2.2
547.26825	0.9
661.17731	7.5
662.17212	1.4
679.18909	82.8
680.19208	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	677.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.9
59.01375	12.7
61.98829	55.1
71.01383	12.1
71.58799	0.8
71.59189	1.2
72.99319	1.7
73.02955	1.6
77.50401	0.7
78.95917	1.0
80.02686	1.7
80.20582	0.8
81.03464	0.9
81.35684	0.9
83.01401	1.8
83.05019	4.3
85.02946	2.6
87.00867	1.7
88.98811	4.8
89.02451	6.2
93.03452	1.4
95.01403	1.7
95.05043	1.1
96.96022	1.1
97.02962	0.7
101.02467	6.7
105.82777	0.7
107.01452	1.1
109.02968	1.2
113.02422	4.3
114.84698	0.7
116.92864	2.2
117.03442	1.3
119.03515	1.3
119.05039	4.2
121.02925	1.1
123.04532	1.8
125.02467	1.6
125.09734	1.7
127.11310	1.5
132.24956	0.7
135.04546	1.3
137.02435	1.5
140.65028	0.8
145.02966	3.6
151.00381	3.5
151.04021	1.6
151.11340	0.8
155.10774	1.0
161.02419	1.2
161.04613	2.1
163.03963	2.2
163.11296	3.5
165.02020	1.0
165.12817	1.8
169.12338	2.0
171.10284	100.0
172.10657	5.3
175.04060	2.1
177.01936	0.9
179.03468	1.2
183.10092	1.2
184.05257	1.9
185.11852	0.9
191.05588	0.8
191.10994	0.8
197.11784	2.3
199.07707	1.7
199.09785	0.9
201.11255	1.0
204.66806	0.8
209.11830	89.4
210.12164	9.6
210.34515	0.7
213.14996	1.3
227.12906	13.4
235.08284	4.1
253.09297	8.3
271.06140	7.3
279.06778	1.0
287.05487	1.9
289.07239	1.5
297.26697	0.8
313.66815	0.8
407.19135	3.3
423.29391	1.4
425.29904	2.5
445.20734	2.0
455.27478	2.4
515.29437	2.5
617.35681	5.9
618.35864	1.6
647.33801	2.2
659.32208	1.9
677.35229	14.8
678.35699	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	676.175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98829	100.0
62.98538	0.2
70.92097	0.2
71.01388	0.3
71.12798	0.1
89.02489	0.1
89.17522	0.1
101.02457	0.2
109.02992	0.2
117.03480	1.0
119.05073	0.2
125.02467	0.4
135.04549	0.1
135.70897	0.1
137.02478	0.3
145.02966	4.1
146.03255	0.2
151.00447	0.2
163.04074	0.4
164.04417	0.1
179.07268	0.1
200.62209	0.1
205.05112	0.1
223.54639	0.1
264.54373	0.1
285.04117	0.1
289.07407	0.2
343.12747	0.1
395.07932	0.3
459.09439	0.1
516.31982	0.1
613.17902	1.8
613.26685	0.2
614.18317	0.3
676.24414	0.1
677.24078	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	677.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01963	0.6
59.01372	1.7
61.98838	4.1
77.75223	0.6
78.95904	3.0
84.01895	0.7
111.97604	0.7
125.02435	1.9
127.08569	0.6
136.98546	0.6
137.02414	0.9
143.31514	0.7
152.99638	1.0
155.68300	0.6
168.72087	0.7
171.84557	0.6
209.12027	0.7
255.23463	0.9
293.21161	2.7
327.21680	0.9
432.69293	0.6
438.13519	1.2
480.14264	1.2
481.15195	12.8
482.15732	3.2
495.16870	3.2
496.16809	1.2
539.15576	2.0
540.16260	5.1
541.16370	1.1
554.18274	1.0
555.18872	18.3
556.19000	5.1
572.15625	6.6
573.15704	2.4
627.20770	1.7
628.20752	1.1
641.22662	23.8
642.22821	8.0
677.20367	100.0
678.20660	34.9
678.32294	0.7
678.38446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92680	0.6
57.03438	1.2
58.00588	1.1
59.01098	1.3
59.01381	18.9
61.98830	1.0
67.01890	3.6
69.03446	1.2
69.43810	4.6
71.01384	14.1
72.99303	1.0
73.02975	0.9
75.00877	0.8
81.03466	1.2
83.01407	1.2
83.05023	1.0
85.02955	7.9
87.00903	2.1
89.02443	8.8
93.03469	24.7
94.03802	1.4
95.01409	0.7
96.96077	0.6
98.20718	1.0
99.04523	0.8
101.02458	6.5
106.13893	0.5
107.05025	0.6
109.02979	1.9
111.00905	1.5
111.04552	5.6
113.02457	4.6
115.00395	0.7
119.03532	4.0
119.05061	2.6
120.05335	0.7
121.03015	1.8
123.04560	0.8
125.02485	1.2
127.04046	2.5
131.03479	0.9
131.07149	0.7
133.02998	2.0
134.03796	3.4
135.04541	62.5
136.04886	3.1
137.02467	5.8
140.01668	0.6
143.03560	0.7
149.02460	0.7
151.03995	1.4
155.03558	4.1
156.03886	0.7
161.02502	3.4
161.04544	0.7
163.04062	2.6
173.04564	100.0
174.04895	5.7
175.05081	0.7
177.01984	0.8
177.04077	0.7
179.03513	62.9
180.03830	2.8
191.05621	60.2
192.05945	6.0
193.06200	1.2
215.72989	0.6
227.07103	0.6
237.09207	0.6
241.05159	0.7
271.09680	0.8
289.07129	3.3
293.12509	2.3
323.13480	48.7
324.13748	4.3
327.08759	3.0
328.09085	2.3
329.09259	2.3
337.09131	0.8
353.08774	94.3
354.09125	10.2
385.49408	0.6
503.14371	2.1
515.18970	0.8
633.50482	0.6
677.19366	4.2
678.19897	0.8
682.06165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23819	0.1
58.17215	0.1
59.01385	0.9
61.98832	100.0
62.98518	0.1
71.01398	0.7
71.01739	0.1
71.01872	0.1
73.02960	0.3
75.00885	0.2
78.95927	0.1
81.03469	0.1
82.63267	0.1
83.01401	0.2
85.02962	0.3
87.00887	0.3
88.98830	0.1
89.02441	0.2
93.03476	0.1
94.92413	0.1
96.01067	0.1
96.96029	0.3
96.96966	0.1
99.00895	0.1
101.02447	0.3
102.93568	0.1
109.02961	0.6
110.03300	0.1
113.02486	0.4
117.03484	3.0
118.03825	0.2
119.03511	0.1
119.05041	0.8
121.02946	0.1
123.00921	0.2
123.04539	0.3
124.01704	0.5
125.02486	1.6
126.02816	0.2
129.01915	0.1
131.68889	0.1
137.02444	0.4
145.02972	14.4
146.03302	0.7
149.99628	0.7
151.00169	0.2
153.01968	0.7
155.10820	0.2
160.01700	0.1
161.04576	0.1
163.04002	1.2
166.02173	0.1
168.00664	1.3
169.01031	0.5
177.01913	0.1
177.03989	0.2
178.99927	0.2
179.03539	0.1
191.05678	0.2
199.09700	0.2
205.05000	0.1
245.08232	0.1
255.03011	0.2
283.02390	0.2
284.03162	0.2
285.03998	0.4
289.07132	0.6
290.07489	0.3
341.11005	0.1
390.53836	0.1
395.07748	0.2
431.09573	0.2
459.09088	0.3
553.15271	0.4
571.16718	0.4
613.17853	6.6
614.18256	1.3
616.18945	0.1
659.21875	0.2
676.21661	2.5
677.23090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59365	0.1
51.43995	0.1
55.23233	0.1
57.03447	0.2
59.01374	0.9
60.16533	0.1
61.98826	100.0
62.98538	0.2
66.43508	0.1
70.33943	0.4
71.01386	0.5
71.07574	0.1
73.02940	0.2
75.00870	0.4
77.37408	0.1
83.01392	0.2
85.02967	0.3
87.00873	0.2
88.98834	0.2
89.02475	0.4
93.03496	0.2
96.96055	0.1
99.00924	0.1
101.02466	0.5
108.02195	0.1
109.03013	0.3
111.00880	0.2
113.02482	0.5
116.92854	0.2
117.03471	1.9
119.05039	0.5
123.04546	0.2
124.01720	0.3
124.71325	0.1
125.02453	1.2
129.01985	0.2
135.04509	0.1
137.02496	0.6
145.02960	7.3
146.03323	0.4
149.02512	0.2
151.00372	0.5
151.04033	0.3
152.01138	0.1
153.01912	0.2
161.02473	0.4
161.44011	0.1
163.04042	0.7
165.01939	0.3
165.05606	0.1
166.51924	0.1
169.91428	0.1
175.02454	0.1
175.04028	0.2
177.04129	0.3
178.99925	0.2
201.11476	0.2
203.07335	0.2
205.05194	0.2
217.05083	0.1
227.03615	0.6
229.05026	0.1
255.02936	0.6
270.25385	0.1
271.05954	0.2
283.02490	0.6
284.03409	0.4
285.04153	0.5
289.07352	0.2
303.05176	0.5
341.10648	0.2
352.37564	0.2
395.07895	0.2
446.08267	0.2
459.09207	0.9
550.64532	0.1
566.85681	0.1
571.16931	0.4
581.14661	0.2
613.17957	2.7
613.27991	0.2
614.18732	0.4
621.30884	0.1
675.35333	0.1
676.25916	0.3
676.37000	0.3
677.17261	0.2
677.27283	0.2
677.38373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35019	0.1
57.03447	0.3
59.01374	1.3
61.98826	100.0
62.98528	0.3
65.00320	0.2
66.78970	0.1
69.46677	1.0
71.01373	1.2
72.99326	0.3
73.02956	0.4
75.00883	0.6
77.01136	0.1
78.95905	0.2
83.01403	0.4
85.02955	0.6
87.00893	0.3
88.86942	0.1
88.98820	0.3
89.02441	0.6
93.03482	0.4
95.01396	0.1
96.96043	0.3
97.02969	0.1
98.20714	0.2
99.00853	0.2
101.02445	0.6
107.01424	0.2
109.02974	0.5
113.02473	0.3
116.92863	0.3
117.03476	0.9
119.03577	0.2
119.05011	0.7
121.02976	0.3
123.04527	0.4
124.01703	0.1
125.02441	1.3
127.04057	0.3
135.04506	0.3
135.08174	0.3
137.02451	0.6
139.03990	0.2
145.02966	3.6
146.03326	0.4
149.02487	0.2
151.00357	0.8
151.04024	0.4
153.01961	0.1
154.92903	0.1
155.10805	0.2
159.04584	0.1
160.04051	0.2
161.02481	0.3
161.04631	0.2
162.03113	0.1
163.04024	0.4
163.91197	0.1
164.01186	0.1
165.01933	0.4
165.05669	0.1
168.00655	0.1
175.04066	0.2
177.02014	0.1
177.04077	0.3
178.99907	0.2
187.04097	0.2
193.08649	0.1
201.11230	0.6
203.07172	0.2
205.05165	0.2
211.04034	0.1
227.03471	0.2
245.08340	0.2
255.02930	1.2
259.06131	0.2
260.27390	0.1
271.06201	0.5
283.02475	2.6
285.04102	0.4
287.05640	0.5
289.07123	0.9
290.07510	0.5
343.12323	0.2
395.07861	0.3
446.08633	0.8
515.21704	0.1
587.43561	0.1
613.17719	1.3
613.26465	0.1
614.18939	0.2
617.31903	0.6
633.38367	0.2
645.21478	0.1
675.36731	0.6
676.25787	0.4
676.37158	0.7
677.16431	1.4
677.27252	0.2
677.36743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92934	0.1
59.01371	0.9
61.98828	100.0
62.10547	0.1
67.91659	0.1
69.56977	0.9
71.01388	0.5
73.02943	0.2
75.00863	0.3
83.01387	0.2
85.02978	0.3
87.00888	0.2
89.02454	0.2
96.96035	0.1
101.02458	0.3
104.98804	0.1
106.23901	0.2
108.02190	0.2
109.02985	0.6
110.03307	0.2
113.02504	0.1
117.03483	2.8
119.05021	0.7
120.95802	0.1
121.02979	0.2
123.00935	0.3
124.01703	0.4
125.02449	1.0
126.02805	0.2
137.02512	0.2
145.02962	14.0
146.03310	0.7
149.99648	0.5
151.00368	0.3
151.04037	0.1
152.01192	0.2
153.01984	0.5
154.02301	0.2
158.48927	0.1
163.04031	1.2
168.00655	0.9
169.01132	0.2
285.04132	0.5
289.07285	0.4
290.07724	0.2
373.93945	0.1
395.07660	0.2
399.58298	0.1
431.10153	0.2
537.57629	0.1
553.15918	0.5
554.16132	0.1
571.17114	0.5
613.17841	6.7
614.18140	1.5
676.21625	1.9
677.22742	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	675.39
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77293	0.3
69.03459	1.0
70.29119	1.3
72.46333	0.3
78.95905	26.5
83.05022	0.4
96.96949	2.5
152.99602	40.8
153.99905	0.6
155.10759	0.5
155.84532	0.4
165.12840	0.6
167.10840	0.6
167.14362	0.9
167.50500	0.3
171.00635	3.4
183.13919	8.8
184.14261	0.5
193.12379	2.3
196.10394	0.3
197.11815	0.7
209.11848	1.3
211.13393	100.0
212.13722	7.4
212.15573	0.6
223.13431	0.4
227.03255	3.7
241.21713	0.6
243.61501	0.3
245.04384	1.5
253.21713	25.1
254.22011	2.2
255.23306	4.4
256.23654	0.5
345.11395	0.3
347.12585	4.5
348.12817	0.5
421.16168	2.9
425.15872	1.0
432.40298	0.4
439.17352	92.0
440.17746	10.9
463.24554	0.4
483.27597	0.6
657.17157	0.4
675.38983	39.6
676.39240	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	675.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.4
57.03446	1.8
58.00593	2.6
59.01377	49.0
60.01710	0.6
61.98831	1.8
67.01890	0.2
68.99823	0.7
69.03461	2.9
70.28224	0.1
71.01382	44.2
72.01719	0.7
72.99309	3.6
73.02950	6.8
75.00877	1.1
78.95908	1.5
79.89338	0.2
81.03455	1.9
83.01389	5.1
83.05030	0.7
84.02197	0.2
85.02956	9.0
85.43977	0.2
86.00117	0.5
86.03265	0.3
87.00881	11.0
87.04527	0.4
88.01197	0.2
89.02449	36.2
90.02802	0.6
91.04006	0.9
93.03482	0.6
93.88940	0.2
95.01393	2.9
95.05037	0.4
97.02959	7.8
97.06664	0.2
98.03236	0.1
98.19853	0.3
99.00890	2.4
99.04525	0.5
101.02451	36.9
102.02789	0.7
103.00365	0.3
103.04024	0.5
109.02936	1.0
111.00893	0.8
111.04539	1.3
112.01658	0.3
113.02458	18.2
114.02787	0.3
115.04001	1.0
119.03512	11.2
119.55742	0.2
121.02985	0.8
123.00915	0.5
123.04533	0.3
124.01648	0.4
125.02460	15.0
126.02791	0.6
127.04021	0.6
127.07678	0.2
129.01958	0.3
129.36081	0.2
131.03516	1.7
133.05078	1.1
135.04553	0.3
137.02489	0.4
139.04036	1.3
141.01949	0.6
141.05588	0.2
141.70934	0.2
143.03511	6.8
144.03841	0.2
145.05011	0.2
149.02499	0.4
149.04547	1.2
150.52464	0.2
152.99615	0.6
157.05090	0.3
157.36534	0.2
159.03065	0.2
161.04576	8.5
162.04871	0.3
163.04050	0.3
167.03494	1.0
169.05077	0.4
171.03064	0.3
179.05624	7.2
179.07201	0.3
180.06091	0.2
184.17625	0.2
185.04620	0.6
199.06111	0.5
203.05669	0.6
209.11795	0.4
217.07135	1.2
219.05072	0.4
221.06615	3.0
233.22725	0.5
235.08218	17.1
236.08543	0.7
245.06670	1.0
253.09268	3.6
254.09782	0.3
259.08279	0.3
259.20670	0.6
263.07684	1.5
275.20169	0.5
277.09564	1.4
277.21704	100.0
278.22055	11.4
287.07706	3.9
288.08133	0.2
291.23315	0.3
305.08795	4.2
306.09039	0.3
323.09744	2.1
361.11313	0.6
363.12506	0.2
379.12491	1.2
380.12753	0.2
397.13504	92.6
398.13831	9.0
398.19144	0.4
415.14554	36.9
416.14890	3.6
675.35974	1.0
676.36145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3396
Annotation	Aquastatin A
Peak:m/z	Relative Intensity
55.01883	1.1
57.03429	2.2
58.00587	1.0
58.58220	0.5
59.01376	11.2
61.98827	18.8
65.00323	0.7
66.63365	0.4
69.99905	0.4
70.92423	1.0
71.01379	10.8
72.01709	0.5
72.99303	5.0
73.02956	3.2
75.00874	3.2
81.03450	0.6
83.01394	3.2
83.05029	1.6
84.00117	0.4
84.46143	0.4
85.02947	5.8
87.00893	0.7
88.98814	1.6
89.02442	3.2
93.03456	1.6
95.01386	1.9
96.96013	1.0
97.02932	0.7
97.06616	0.5
99.00890	1.3
101.02447	8.0
107.01414	1.4
108.16875	0.4
109.02946	1.0
111.08194	0.5
113.02457	4.7
116.92881	0.7
117.92798	0.4
119.03523	0.8
119.05040	2.8
121.02950	0.9
123.04516	1.1
125.02444	2.9
127.03924	0.4
131.03532	0.5
135.04529	0.5
137.02443	1.9
145.02960	1.7
151.00392	5.7
151.04015	0.9
161.02388	1.0
161.04550	1.0
163.04004	0.5
163.11220	0.5
165.01909	0.7
165.12875	0.8
169.12375	2.1
171.10291	1.3
174.03421	0.4
177.01979	1.0
177.04137	0.5
179.03667	0.5
185.11836	4.4
186.12170	0.6
191.05553	0.9
197.11786	0.8
199.13344	0.5
201.11415	1.0
207.10284	0.7
209.11836	25.3
210.12143	8.7
211.13695	5.6
225.11285	1.0
227.12897	4.8
228.13203	1.7
229.14505	4.1
235.08211	0.7
253.09306	2.2
254.09886	0.6
271.06091	14.0
272.06485	2.1
285.04068	0.8
287.05658	0.6
289.06952	1.3
290.07587	0.5
328.23178	0.5
395.29584	1.2
411.28870	0.9
423.29031	13.7
424.29382	3.2
439.28360	2.4
440.28796	0.9
441.30008	0.6
451.28506	0.7
453.26129	0.8
467.27991	1.3
469.29593	20.2
470.29922	4.9
483.27463	2.1
485.29333	1.0
495.27597	1.6
513.28491	8.1
514.29034	1.5
571.97302	0.5
615.33398	0.6
615.45428	1.0
631.35120	0.8
643.24750	0.7
645.33087	3.3
646.32904	0.9
657.31659	0.9
675.34070	100.0
676.34399	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03429	2.2
58.00587	1.0
58.58220	0.5
59.01376	11.2
61.98827	18.8
65.00323	0.7
66.63365	0.4
69.99905	0.4
70.92423	1.0
71.01379	10.8
72.01709	0.5
72.99303	5.0
73.02956	3.2
75.00874	3.2
81.03450	0.6
83.01394	3.2
83.05029	1.6
84.00117	0.4
84.46143	0.4
85.02947	5.8
87.00893	0.7
88.98814	1.6
89.02442	3.2
93.03456	1.6
95.01386	1.9
96.96013	1.0
97.02932	0.7
97.06616	0.5
99.00890	1.3
101.02447	8.0
107.01414	1.4
108.16875	0.4
109.02946	1.0
111.08194	0.5
113.02457	4.7
116.92881	0.7
117.92798	0.4
119.03523	0.8
119.05040	2.8
121.02950	0.9
123.04516	1.1
125.02444	2.9
127.03924	0.4
131.03532	0.5
135.04529	0.5
137.02443	1.9
145.02960	1.7
151.00392	5.7
151.04015	0.9
161.02388	1.0
161.04550	1.0
163.04004	0.5
163.11220	0.5
165.01909	0.7
165.12875	0.8
169.12375	2.1
171.10291	1.3
174.03421	0.4
177.01979	1.0
177.04137	0.5
179.03667	0.5
185.11836	4.4
186.12170	0.6
191.05553	0.9
197.11786	0.8
199.13344	0.5
201.11415	1.0
207.10284	0.7
209.11836	25.3
210.12143	8.7
211.13695	5.6
225.11285	1.0
227.12897	4.8
228.13203	1.7
229.14505	4.1
235.08211	0.7
253.09306	2.2
254.09886	0.6
271.06091	14.0
272.06485	2.1
285.04068	0.8
287.05658	0.6
289.06952	1.3
290.07587	0.5
328.23178	0.5
395.29584	1.2
411.28870	0.9
423.29031	13.7
424.29382	3.2
439.28360	2.4
440.28796	0.9
441.30008	0.6
451.28506	0.7
453.26129	0.8
467.27991	1.3
469.29593	20.2
470.29922	4.9
483.27463	2.1
485.29333	1.0
495.27597	1.6
513.28491	8.1
514.29034	1.5
571.97302	0.5
615.33398	0.6
615.45428	1.0
631.35120	0.8
643.24750	0.7
645.33087	3.3
646.32904	0.9
657.31659	0.9
675.34070	100.0
676.34399	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43876	0.3
57.03443	2.6
59.01365	1.4
67.01884	0.8
69.03442	0.7
69.78899	2.4
71.01398	1.8
79.31634	0.3
80.02654	0.4
81.03466	2.3
83.01377	3.1
85.02944	4.1
87.00867	1.4
91.05531	0.4
93.03456	12.7
95.01382	0.7
95.05030	4.0
96.99321	1.2
97.02966	6.0
99.04506	0.7
105.03458	0.4
108.02167	1.2
109.02963	26.1
110.03299	1.1
111.04499	1.2
113.02442	1.3
115.00402	0.6
117.03480	0.6
119.05045	5.9
120.05404	0.4
121.02954	4.8
122.03738	1.2
123.00863	0.4
123.04536	15.0
124.04855	0.4
125.02454	17.2
126.02810	0.5
127.04022	1.0
127.77790	0.4
129.01930	0.6
131.05040	1.4
132.47322	0.3
132.67575	0.4
133.02977	1.0
133.06616	0.6
135.04526	2.3
137.02451	10.1
138.03194	0.5
139.04034	3.7
140.08180	0.3
143.05029	6.0
145.02979	1.8
146.03746	1.1
147.04555	0.5
149.02461	5.2
150.03215	1.5
151.04012	9.6
152.04364	0.4
155.03510	0.8
157.06595	0.3
159.04541	3.5
159.93365	0.3
160.05272	1.5
161.02440	1.2
161.06096	5.2
162.03241	1.7
163.04024	4.9
164.01180	3.2
164.04735	1.2
165.01942	4.7
166.02742	0.5
167.03545	2.0
171.04532	0.3
173.04588	6.5
173.06029	0.8
174.03258	0.7
175.04007	2.4
175.07642	1.9
177.05630	0.7
179.03505	6.6
179.07153	0.4
180.03931	0.5
185.06102	1.0
187.04028	4.9
188.04774	4.7
191.05617	41.2
192.05956	1.7
193.01469	0.4
199.07690	0.7
201.05553	0.9
202.06355	2.4
203.07132	14.0
204.07443	0.9
205.05064	7.5
206.05389	0.7
208.03819	1.6
211.07642	2.5
212.04791	0.8
217.05057	0.3
217.08766	0.6
219.08269	0.5
221.08066	3.1
221.09973	0.5
223.06078	3.6
223.07671	0.3
227.07129	2.2
230.05853	1.0
231.02867	0.4
235.07762	0.8
237.09201	2.8
239.10797	0.9
245.08162	19.0
246.08501	1.4
247.06046	1.1
261.01367	0.4
265.08679	6.8
266.09091	0.7
267.07199	2.5
271.06152	1.1
274.11526	0.3
278.67297	0.3
283.09561	0.9
289.07162	100.0
290.07516	10.4
309.07544	1.7
327.08728	46.2
328.09073	5.9
385.11374	4.0
386.11816	0.8
501.13959	7.7
502.14340	1.2
536.22235	0.4
610.38049	0.4
675.19244	5.7
675.28387	0.4
676.19531	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	675.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48053	0.2
57.03447	2.4
58.00582	0.2
59.01382	2.5
61.98825	3.7
63.02402	0.9
65.00323	10.7
66.00647	0.3
70.09093	0.9
71.01357	1.1
72.99328	0.3
73.02938	1.7
75.00879	0.2
79.21463	0.2
81.03484	0.4
83.01390	8.2
85.02954	0.6
87.04530	0.6
88.98824	0.2
89.02449	0.2
93.03465	0.2
98.19810	0.2
101.02460	1.7
107.01398	19.4
107.05092	0.3
108.01717	0.5
108.99319	0.3
109.02975	1.8
111.04499	0.3
113.02437	0.4
116.92846	0.3
119.05040	0.2
120.84684	0.2
121.03069	0.2
123.04551	0.4
124.01698	0.2
125.02459	20.6
126.02820	0.8
128.57808	0.2
131.01376	0.3
133.02965	2.0
134.03773	0.9
135.04535	65.0
136.04872	3.0
137.02448	0.6
137.06030	0.2
137.09761	0.4
139.11288	1.9
145.03017	0.3
149.02480	0.6
151.00381	100.0
152.00714	4.7
153.02007	0.3
155.10832	1.2
159.04477	0.3
161.02448	5.1
162.02875	0.2
163.04033	0.2
165.01921	0.8
165.09180	0.4
167.03453	0.2
169.01440	2.7
169.12331	0.9
175.00368	1.1
177.01923	1.4
178.99925	0.4
179.03641	0.2
179.10780	0.6
181.12296	1.0
183.10265	4.9
184.10632	0.3
191.05522	0.2
193.01422	0.5
197.11783	0.4
199.13448	0.5
201.05658	0.4
209.11841	1.3
210.12212	0.8
225.05515	0.2
225.11293	5.2
226.11711	0.5
227.12888	0.6
228.13329	0.3
243.12361	5.6
244.12714	0.6
245.08197	0.2
249.11261	0.7
267.12466	1.1
269.04575	0.6
271.06247	0.5
285.03912	0.5
285.13406	0.9
286.04553	0.3
287.05588	51.6
288.05917	5.1
291.12372	0.9
303.05026	0.7
304.05521	0.5
305.05624	0.3
309.13370	0.7
311.05731	0.4
327.14444	2.8
369.15573	0.3
387.16583	13.9
388.16849	1.8
495.18768	0.7
513.19733	1.5
554.76593	0.2
615.21033	0.4
643.24359	0.3
657.21881	0.9
658.22601	0.3
675.23077	34.0
675.32062	1.7
676.23438	9.2
676.33594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
59.01384	1.8
61.49648	0.3
61.98840	1.4
63.02394	0.5
65.00320	2.3
67.01891	0.3
69.43758	2.1
71.01377	1.4
72.99337	0.3
73.02947	0.9
75.00884	0.7
81.03455	1.9
83.01383	4.7
83.05016	0.8
85.02955	0.8
89.02441	0.3
93.03472	2.0
95.01400	0.8
97.02974	0.5
97.06577	0.2
98.19827	0.5
101.02462	1.0
105.03513	0.3
107.01398	2.5
107.05054	0.3
108.02176	0.5
109.02979	1.5
111.00920	0.5
113.02485	0.4
116.92843	0.5
118.02638	0.2
119.05054	0.8
121.02954	0.7
122.06136	0.4
123.00913	0.3
123.04533	1.4
124.01671	1.7
125.02459	55.9
126.02775	2.3
127.04034	2.0
129.01952	0.5
131.05026	0.8
133.02940	1.7
134.03717	0.2
135.00937	0.3
135.04539	0.7
135.08159	0.5
137.02443	1.6
139.07634	0.4
139.11264	0.6
143.05028	0.3
145.02943	1.0
145.06624	0.4
149.02460	0.8
150.03148	0.3
151.00385	7.8
151.04063	0.2
152.01170	4.8
152.07213	0.5
153.01958	2.2
156.05843	0.7
157.06618	1.2
158.03726	0.5
159.04529	1.2
161.02429	0.3
163.00360	0.3
164.08469	0.2
165.01907	1.0
165.05580	0.4
167.03574	0.3
169.01418	0.5
171.04552	0.3
172.05377	1.5
173.06085	4.6
174.06494	0.4
175.04004	1.0
175.07658	0.6
176.01166	0.7
177.02034	0.4
177.04071	0.7
177.05544	5.5
178.99863	4.5
181.01253	0.3
181.12344	0.4
183.04433	0.3
183.10249	1.7
187.07666	0.4
197.06071	0.4
199.04012	0.6
199.07663	2.2
200.04755	0.7
201.05559	5.7
201.07278	0.5
201.11368	1.1
202.05891	0.7
203.03496	0.9
209.11903	0.6
213.05571	0.4
214.06606	0.3
215.07123	6.1
215.09222	0.4
216.07497	0.3
219.06648	0.8
225.05516	0.4
225.11324	1.9
227.12822	0.3
241.04997	1.3
243.06607	9.6
243.12291	2.8
244.06987	0.8
259.06091	50.5
260.06430	4.5
267.07065	0.3
269.04541	7.2
269.07361	0.3
270.04660	0.6
271.06134	0.7
283.06119	1.5
285.13425	0.4
287.05597	100.0
288.05920	9.7
289.06827	0.4
291.12332	0.5
293.09378	0.3
301.07056	0.5
301.12198	0.3
305.33063	0.2
309.13348	0.3
311.05441	0.4
327.14691	1.3
347.59598	0.2
379.16171	0.3
387.16641	7.8
388.16998	0.9
502.16315	0.4
520.17529	0.5
547.30957	0.4
552.19989	0.5
572.67212	0.3
631.36804	0.5
643.23944	0.5
647.23578	0.8
657.22070	0.8
657.34344	0.3
658.23389	0.3
675.23151	10.6
675.35596	3.9
676.23810	2.7
676.35846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01372	1.8
60.99313	0.4
63.11694	0.3
63.34108	0.3
65.03975	0.4
67.01882	1.6
69.03461	0.4
69.88829	1.1
69.89236	0.6
71.01392	1.9
75.65173	0.3
81.03451	0.4
83.05032	0.7
85.02959	4.1
87.00889	1.2
93.03464	25.4
94.03795	1.1
96.96001	2.1
96.99319	2.5
99.04527	0.6
109.02958	1.1
111.00858	0.4
111.04529	2.6
113.02419	0.5
115.00399	0.6
117.03479	0.8
119.05038	15.1
120.05398	0.6
121.03013	0.5
121.28791	0.4
123.04551	1.0
125.02479	0.7
127.04044	1.0
130.04291	0.5
130.08743	0.6
130.51437	0.3
131.05040	2.7
133.03033	1.8
137.02455	2.4
143.05045	11.2
144.05396	1.1
145.02975	2.1
147.04482	0.4
147.35768	0.3
155.03546	2.3
159.04503	1.0
163.04031	10.0
164.04420	0.3
171.03142	0.5
171.04547	1.4
172.09814	1.0
173.04562	29.0
174.04930	1.4
191.05620	55.4
192.05957	2.6
193.13420	0.3
211.07663	3.4
212.08057	0.4
219.08157	0.5
221.09685	1.2
223.07640	0.9
235.07599	2.1
237.09193	4.6
238.09647	0.5
239.10770	0.8
265.08658	14.5
266.08978	1.6
283.09677	1.3
309.07614	3.4
310.07718	0.6
327.08716	100.0
328.09045	11.2
328.12921	0.6
337.05292	0.5
337.09293	6.6
338.09622	0.8
385.00360	0.3
385.25565	0.3
425.08978	0.4
501.13974	15.5
502.14355	2.7
675.19409	13.1
676.19550	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	675.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01374	5.1
61.98829	19.1
69.03448	2.5
69.70541	0.5
69.70883	4.5
71.01381	6.3
72.99286	0.8
73.02946	1.6
81.03461	1.6
83.01385	2.2
83.05036	0.6
85.02952	3.1
87.00889	1.4
87.04511	1.7
88.98782	1.4
89.02446	1.4
93.03437	2.0
95.01399	2.2
97.02967	3.9
98.40210	0.7
99.04537	0.7
101.02467	4.1
105.17660	0.6
108.02174	8.9
109.02966	8.7
111.04573	0.6
113.02466	1.6
117.03409	1.0
119.05019	0.8
121.02946	1.5
123.00895	8.2
123.04540	1.7
123.06567	0.6
124.01685	16.0
125.02467	46.4
126.02779	2.0
126.45469	0.5
129.01923	1.3
133.71271	0.6
135.04539	0.7
135.08217	0.6
137.02458	4.3
137.03317	0.7
137.09731	2.6
139.04004	1.0
139.07625	0.6
145.02954	3.1
149.02493	1.3
149.99602	25.8
151.00412	3.4
151.02100	0.6
151.04005	1.2
152.01173	10.2
153.01950	6.6
153.09183	0.9
155.09547	0.9
155.10791	13.6
161.02473	1.2
161.06093	0.7
163.04001	1.9
165.01965	0.9
167.03523	2.9
168.00653	59.5
169.01418	9.0
173.04547	1.1
175.03990	0.6
177.04060	3.7
177.05377	0.6
179.03484	1.1
179.10706	1.4
181.08647	0.9
186.57011	0.7
187.03958	0.7
187.14052	0.7
191.05499	0.9
199.09743	4.5
203.07130	1.1
205.04965	1.1
207.02943	0.7
213.11267	0.9
233.08203	0.9
241.10768	1.5
245.08055	1.8
253.16241	0.7
254.94467	0.7
255.12370	0.7
273.48099	0.7
283.11908	1.5
285.04050	0.9
289.07166	6.6
303.05032	1.5
307.11896	1.3
313.05667	1.4
351.91998	0.6
453.17548	1.5
453.23322	0.7
495.14981	2.8
497.16513	1.8
513.16083	19.5
514.16321	2.0
613.17975	1.4
615.19092	2.3
615.28687	5.2
616.28845	1.4
631.21960	2.0
632.23389	0.7
657.20532	2.8
672.75250	0.6
675.21478	100.0
676.21674	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	675.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
59.01362	1.8
67.01884	1.0
69.03442	0.8
69.47372	3.1
71.01381	2.3
80.02662	0.4
81.03469	2.5
83.01387	2.4
83.05042	0.7
85.02951	6.9
87.00868	1.4
93.03465	23.1
94.03819	1.0
95.05030	2.3
96.99310	2.5
97.02950	3.9
99.04517	0.6
101.02433	0.3
105.37363	0.4
108.02175	0.9
109.02963	16.9
110.03326	0.6
111.00901	0.4
111.04539	2.4
113.02470	0.7
115.00368	0.7
117.03478	0.8
119.05038	9.7
120.05396	0.5
121.03002	2.2
122.03774	0.8
123.04536	12.4
124.04860	0.4
125.02460	11.1
126.02729	0.4
127.04014	1.5
131.05045	3.3
133.02940	3.1
135.04539	1.6
135.86205	0.4
137.02452	8.4
138.03221	0.6
139.03999	2.7
143.05035	11.5
144.05371	0.6
145.02968	2.5
145.06607	0.8
146.03709	1.1
147.04568	0.8
149.02464	3.7
150.03220	0.8
151.04015	5.6
152.04361	0.5
155.03470	2.3
157.06689	0.4
159.04538	2.3
160.05263	0.9
161.02467	2.6
161.06088	2.9
162.03232	1.1
163.04021	9.2
164.01160	2.1
164.04689	1.2
165.01927	3.2
166.02545	0.4
167.03503	1.3
171.04506	1.5
173.04564	13.6
173.05959	0.7
174.03275	0.4
174.04776	0.6
175.04063	1.8
175.07597	1.1
177.05592	0.6
179.03522	4.5
179.07123	0.5
185.06097	0.6
185.94026	0.3
187.04013	3.7
188.04782	3.0
190.02739	0.8
191.05615	67.8
192.05994	3.0
193.01408	0.9
199.07655	0.6
201.05602	0.5
202.06360	1.4
203.03488	0.5
203.07147	9.0
204.07397	0.5
205.05069	7.3
208.03836	2.1
211.07646	4.5
212.04788	0.7
217.08701	0.6
219.08252	0.4
221.07951	1.8
221.09973	0.5
223.05968	5.3
223.07947	0.7
227.07101	1.4
230.05930	0.6
231.03093	0.5
235.07727	2.1
237.09200	4.6
238.09808	0.5
245.08171	12.5
246.08459	1.3
263.07285	0.6
264.07687	0.5
265.08682	14.4
266.08997	1.7
267.07162	1.1
271.06116	0.8
280.54318	0.4
281.07935	0.4
283.09674	1.4
289.07159	69.0
290.07516	7.0
309.07715	3.9
327.08719	100.0
328.09061	13.0
364.38702	0.5
385.11475	3.6
386.12006	0.4
501.13922	15.1
502.14398	3.0
530.74084	0.4
675.19287	11.7
676.19391	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	675.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01374	1.4
67.01891	0.5
69.03453	0.3
70.07310	0.8
71.01386	1.3
73.02963	0.4
81.03471	0.4
83.05036	0.4
85.02959	8.4
86.03311	0.3
87.00882	1.9
93.03468	5.4
94.03832	0.2
95.01399	0.1
96.96016	0.4
96.99342	0.2
99.04533	0.4
101.02447	0.2
109.02966	0.6
111.04524	1.5
113.02441	0.3
115.00345	0.2
119.05038	5.7
120.05386	0.2
125.02499	0.2
127.04030	2.2
131.05022	0.2
131.07118	0.2
133.02988	0.3
137.02475	0.5
141.21744	0.1
143.05061	1.0
155.03473	0.7
163.04013	5.1
164.04352	0.3
165.05579	0.4
168.29747	0.1
171.03078	0.7
171.04321	0.2
173.04568	4.9
173.06032	0.3
174.04707	0.1
191.05618	100.0
192.05969	4.0
211.07707	1.0
235.07744	0.2
237.09189	0.6
239.10664	0.3
258.25183	0.1
265.08649	1.5
283.09720	1.1
284.10178	0.2
293.12323	0.7
309.07663	0.4
323.13458	0.2
327.08722	12.1
328.09045	1.3
337.09320	0.3
453.17682	0.2
483.13013	0.2
501.14084	3.2
502.14340	0.5
630.04449	0.2
636.27582	0.2
675.19458	6.0
676.19849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41103	0.2
59.01371	0.5
65.42423	0.2
67.01892	0.4
69.03482	0.2
71.01381	0.6
73.02928	0.2
85.02950	4.2
87.00871	1.3
93.03461	2.5
99.04519	0.3
109.02969	0.4
111.04536	0.8
117.03544	0.2
119.05064	0.9
121.02948	0.2
125.02453	0.2
127.04003	1.6
137.02466	0.2
145.02974	0.8
155.03442	0.2
163.04039	1.2
171.02977	0.3
172.78662	0.2
173.04562	1.7
174.04813	0.2
191.05617	100.0
192.04285	0.3
192.05962	4.5
212.64647	0.2
229.19685	0.2
327.08618	0.3
337.09268	28.9
338.05917	0.3
338.09677	3.3
501.13882	0.2
545.47870	0.2
625.01349	0.2
675.19769	0.3
676.20386	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01381	2.2
60.99307	0.7
67.01886	3.9
69.03461	0.6
69.46555	1.7
69.46974	0.8
70.27203	0.3
71.01382	3.1
73.02919	0.5
73.82374	0.3
81.03455	1.3
81.08921	0.3
83.05042	1.1
85.02953	6.4
85.03458	0.4
87.00890	2.3
93.03461	31.8
94.03780	1.2
96.96030	1.3
96.99274	0.4
98.20685	0.5
99.00845	0.5
99.04529	0.6
109.02945	1.3
111.00887	0.7
111.04535	4.8
117.03471	0.5
119.05037	21.6
120.05373	1.2
125.02448	0.6
127.04028	1.9
127.58393	0.3
129.01933	0.4
131.05042	0.8
133.02957	0.5
137.02444	4.2
143.05052	3.0
145.02960	1.3
155.03511	3.6
163.04019	16.6
164.04338	1.1
171.03009	0.5
171.04472	0.6
172.09824	0.3
173.04555	100.0
174.04901	3.9
191.05615	80.4
192.05939	3.6
211.07678	2.0
212.81464	0.4
216.03836	0.3
221.09819	0.5
223.07713	0.4
225.07785	0.4
235.07547	0.4
237.09259	1.2
239.10818	0.7
265.08667	4.0
266.09030	0.5
283.09790	0.8
309.07617	1.8
327.08728	29.4
328.09082	3.9
337.09271	40.0
338.09595	4.8
367.84747	0.3
425.08841	0.4
501.13901	5.5
502.14386	1.0
675.19476	8.2
676.19958	1.7
678.69763	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73414	0.2
57.03454	0.3
59.01372	2.0
59.22139	0.2
67.01914	1.3
67.02213	0.2
69.03468	0.4
71.01381	2.6
71.55252	0.4
72.99320	0.3
73.02930	0.4
78.95910	0.6
81.03459	0.7
83.05038	0.8
85.02951	7.9
87.00873	2.1
89.02452	0.8
90.04898	0.2
93.03467	14.7
96.96010	0.4
96.96973	0.6
96.99326	0.9
101.02435	0.5
108.02191	0.4
109.02986	1.0
111.04517	2.0
113.02454	0.6
115.00378	0.4
117.03474	0.3
119.05045	8.6
120.05357	0.3
123.04523	0.3
125.02491	1.4
127.04006	2.0
129.01950	0.4
130.04219	0.3
131.05042	1.3
133.01471	0.3
133.02954	1.1
137.02449	1.5
143.05045	4.7
144.05373	0.3
145.02950	0.7
145.06622	0.4
153.05632	0.4
155.03499	1.7
156.03944	0.3
159.04572	0.3
163.04027	7.1
164.04391	0.4
171.02992	0.5
171.04471	0.5
173.04558	15.0
174.04898	0.6
179.03569	0.4
191.05618	100.0
192.05966	4.1
192.80222	0.3
208.07816	0.3
211.07706	2.6
221.09700	0.5
223.07579	0.5
224.08318	0.3
235.07603	0.7
237.09213	2.4
239.10728	0.5
265.08655	5.5
266.09061	0.6
283.09747	1.9
289.07291	0.5
309.07678	1.7
310.07840	0.3
320.52145	0.3
327.08728	43.1
328.09097	4.8
333.05841	0.6
333.11960	2.3
337.09360	0.9
377.09174	0.3
393.23825	0.3
395.10349	0.3
425.08734	0.6
451.09970	0.3
455.00418	0.3
483.13171	0.4
501.14001	10.9
502.14182	1.8
555.28766	0.3
577.13257	0.5
675.19434	11.1
676.20117	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	673.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.4
58.00599	0.4
59.01382	2.9
61.98830	3.8
65.00330	0.4
69.03465	0.7
69.51241	1.0
69.51669	1.5
71.01382	3.6
73.02938	1.0
75.00872	0.4
78.83298	0.3
81.03465	1.9
83.01384	1.1
83.05032	0.6
85.02956	2.4
87.04544	0.3
87.09145	0.3
88.98798	0.4
89.02440	1.0
93.03468	1.6
95.01423	2.0
97.02934	0.9
99.04539	0.5
101.02453	1.4
107.01421	0.6
108.02190	48.5
109.02976	37.7
110.03322	1.6
113.02451	1.4
116.92875	0.6
119.05092	0.3
121.02989	1.5
122.03772	1.0
123.00919	1.7
123.04533	3.8
123.08196	0.4
124.01737	0.4
125.02465	8.0
133.02966	0.4
134.03763	0.3
134.79857	0.3
135.00937	0.6
135.04527	1.5
137.02464	5.1
139.03972	0.5
139.11235	0.4
144.23436	0.3
145.02975	0.4
149.02484	0.5
150.06895	0.5
151.00397	2.5
151.02919	0.4
151.04002	2.2
152.01172	59.0
153.01961	21.3
153.05559	1.3
154.02321	0.6
159.04507	0.4
161.02505	1.4
161.04555	0.7
161.06068	0.3
163.00446	0.4
163.04045	1.3
164.01166	1.2
164.04526	0.4
165.01958	5.5
165.05603	0.4
167.03502	1.0
168.00671	0.7
169.01427	0.3
169.12317	0.4
171.10365	0.3
173.06139	0.3
174.77209	0.3
175.03999	1.4
177.01936	1.3
178.02733	0.3
178.99821	0.7
179.03508	1.1
179.05627	0.4
179.10771	0.5
181.05051	0.4
185.11801	0.7
187.04053	0.3
188.04803	0.4
189.05528	0.5
199.03961	0.3
201.11316	0.3
203.07161	0.7
205.08459	0.4
209.11815	5.4
210.12138	0.4
215.07098	0.4
215.12819	0.6
217.05025	0.4
227.12825	0.9
241.04890	0.4
245.04579	0.5
245.08228	0.9
259.06058	1.2
271.06143	1.3
275.05457	0.3
285.04163	1.9
285.07108	0.4
286.04529	0.5
287.05579	2.5
288.06250	1.2
289.07166	6.0
290.07474	0.6
303.05078	3.1
329.23260	0.7
331.15329	0.5
339.25470	0.5
357.26434	1.7
369.09729	0.3
373.25778	0.9
375.27530	23.9
376.27866	3.1
389.29233	0.5
407.07602	0.4
409.12921	0.4
475.17285	0.9
493.18588	5.3
494.18805	0.9
511.25467	1.5
511.36362	1.1
673.34601	100.0
674.34973	24.0
674.46985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03447	0.8
58.00610	0.4
59.01383	6.3
61.98831	33.1
71.01385	7.7
71.22380	0.5
71.22700	0.3
72.99337	0.7
73.02950	1.3
73.34812	0.3
75.00876	0.3
78.95932	0.9
83.01410	0.9
83.05031	1.1
84.02151	0.4
85.02963	1.3
87.00883	1.5
89.02461	3.0
95.01417	0.3
95.05043	0.3
97.02972	0.9
97.06606	0.5
99.00901	0.7
101.02456	4.2
109.02946	0.3
109.06597	1.3
111.08175	1.2
113.02451	2.6
119.03538	0.9
125.02440	1.0
125.09775	0.3
131.03619	0.4
133.05049	0.4
137.02475	0.3
143.03532	0.5
145.05077	0.5
152.99666	0.5
155.10828	0.4
161.04591	1.4
163.11378	1.6
165.12863	10.0
166.13214	0.7
168.68695	0.3
171.10271	1.8
179.05629	0.7
181.12338	0.4
183.13916	100.0
184.14246	7.1
199.09839	1.4
199.13460	1.1
201.11435	0.8
207.10303	3.3
208.10652	0.3
209.11850	12.4
210.12123	1.1
211.13440	11.4
212.13637	0.8
223.13271	0.5
224.13820	0.4
225.11311	3.2
227.12898	8.3
228.13174	0.6
235.08226	2.2
253.09277	4.3
289.06903	0.5
401.23187	0.7
419.24216	0.4
442.42798	0.3
445.20605	1.6
447.22409	0.7
461.20090	0.6
463.21793	3.2
464.22287	0.4
511.28995	1.1
593.29706	0.7
611.32239	0.4
619.31012	0.4
629.35931	4.2
630.35083	0.4
637.32294	1.7
655.33496	5.0
656.33771	1.0
673.34576	65.1
674.34973	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	673.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.03427	0.1
58.00600	0.1
59.01375	2.0
61.98826	0.3
66.75469	0.1
69.03445	0.1
71.01382	1.8
71.05021	0.2
73.02948	0.4
80.02678	1.1
81.03456	1.2
83.01392	0.3
83.05027	4.0
84.02179	0.7
84.05357	0.2
85.02951	0.4
87.00883	0.4
89.02453	1.1
93.03469	0.2
95.05035	0.6
97.02957	0.2
97.06578	0.2
98.20776	0.2
101.02449	1.7
109.06602	0.2
111.08204	0.1
113.02451	0.8
114.59459	0.1
119.03494	0.3
123.08202	0.1
125.02455	0.4
125.06094	0.4
125.09695	0.2
135.08162	0.6
139.81145	0.1
143.03519	0.2
145.05064	0.2
153.12845	0.1
161.04611	0.6
163.11310	3.5
164.11592	0.2
165.12869	2.0
166.13177	0.2
168.00604	0.1
171.10275	1.6
179.05611	0.2
181.12381	0.5
190.96965	0.1
191.10812	1.0
199.13374	0.3
209.11839	100.0
210.12177	7.7
221.11819	0.3
223.13448	0.1
227.12889	13.3
228.13210	1.2
235.08244	1.4
247.13416	0.8
253.09277	5.5
254.09665	0.4
265.14386	0.4
289.07068	0.2
293.21661	0.1
342.40836	0.1
401.23517	0.2
407.19171	0.2
419.24521	0.2
445.20908	0.8
446.21112	0.1
463.21729	0.2
483.21982	0.1
523.70490	0.1
637.32190	0.8
638.32770	0.2
655.33508	0.3
673.34216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92043	0.1
55.01882	0.1
57.03453	0.2
58.00599	0.1
59.01370	1.4
61.98837	0.3
69.03479	0.1
71.01379	1.6
71.05046	0.1
72.99336	0.2
73.02975	0.2
80.02683	0.9
81.03468	1.0
83.01412	0.3
83.05031	3.8
84.02167	0.8
84.05333	0.2
85.02988	0.4
87.00893	0.3
89.02447	1.2
89.46393	0.1
93.03468	0.2
95.01392	0.2
95.05040	0.6
97.02945	0.2
97.06609	0.2
101.02452	1.4
103.33883	0.1
109.06618	0.2
111.08170	0.2
113.02476	0.7
119.03521	0.3
123.08263	0.1
124.01669	0.3
125.02472	0.8
125.06095	0.4
125.09766	0.3
131.03625	0.1
135.08168	0.7
137.02434	0.1
143.03557	0.2
145.05092	0.2
147.11896	0.1
149.04576	0.1
149.99603	0.3
151.00391	0.1
161.04602	0.6
162.35794	0.1
163.11298	3.4
164.11583	0.2
165.12854	2.1
166.13126	0.1
168.00652	0.6
171.10272	1.3
179.05606	0.2
181.12367	0.6
185.11940	0.1
191.10765	0.8
199.13371	0.2
207.10269	0.1
209.11830	100.0
210.12161	8.1
221.11868	0.3
223.13400	0.1
225.11310	0.1
227.12877	14.1
228.13202	1.3
235.08231	1.7
239.94351	0.1
242.34384	0.1
244.03735	0.1
244.10898	0.1
247.13380	0.8
248.13776	0.2
249.15076	0.2
253.09270	5.5
254.09639	0.4
265.14362	0.3
289.07224	0.2
375.21606	0.1
401.23380	0.2
402.23987	0.1
408.62637	0.1
419.24423	0.2
445.20688	1.1
446.21222	0.1
463.21750	0.3
593.29340	0.1
611.30365	0.2
619.31622	0.1
637.32458	0.8
638.32880	0.1
655.33081	0.3
673.34412	1.2
674.34796	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23483	0.3
55.01881	0.5
57.03446	1.1
58.00583	0.4
58.07759	0.3
59.01091	0.5
59.01377	7.1
61.98826	6.0
64.77825	0.2
69.03450	0.4
71.01386	5.9
72.22013	0.3
73.02950	1.3
78.95895	0.4
80.02678	1.5
81.03468	1.6
83.01390	1.2
83.05027	5.1
84.02176	1.1
85.02968	2.1
87.00890	1.3
88.98824	0.8
89.02447	3.5
93.03437	0.4
95.01403	0.7
95.05041	1.1
97.02968	0.3
97.06586	0.8
98.20679	0.5
99.00907	0.3
101.02454	5.2
107.04983	0.3
109.03029	0.3
109.06596	1.0
111.08189	1.0
113.02475	2.4
115.04067	0.4
118.21790	0.3
119.03509	1.1
123.04510	0.4
123.19251	0.3
125.02471	1.7
125.06097	0.5
133.05113	0.4
135.08186	0.5
137.02481	0.4
139.03938	0.3
143.03526	0.4
145.05013	0.7
151.04080	0.3
161.04605	2.3
163.11314	4.4
165.01900	0.4
165.12862	9.1
166.13197	0.6
171.10271	0.9
179.05649	0.6
181.12413	0.9
183.13914	67.0
184.14261	5.0
185.11807	0.7
191.10806	1.2
197.11879	0.9
199.13377	1.5
201.11574	0.3
207.10315	1.5
209.11841	100.0
210.12160	7.8
211.13408	2.5
225.11395	2.1
227.12901	20.1
228.13263	1.6
229.14566	0.3
229.22034	0.5
235.08206	3.5
253.09267	7.6
254.09563	0.6
289.07077	0.7
342.62683	0.4
401.23453	0.4
419.23312	0.7
445.20758	2.3
446.21054	0.4
461.19916	0.4
463.21811	4.0
464.22366	0.5
637.32062	0.7
655.33209	3.0
656.34216	0.7
673.34552	65.7
674.34937	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	673.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30511	0.3
55.01870	0.5
57.03432	1.2
58.00571	0.6
59.01373	7.0
61.98829	13.0
63.94851	0.4
68.75230	0.3
69.03449	0.8
69.39949	1.7
69.40374	1.6
71.01379	8.8
72.99307	0.7
73.02941	1.8
74.93047	0.4
75.00877	0.6
78.95892	0.7
80.02677	1.1
80.05066	1.4
81.03455	1.4
83.01383	1.5
83.05021	5.0
84.02168	1.1
85.02961	2.0
87.00871	1.2
88.98798	0.9
89.02455	3.0
93.03479	0.9
94.06624	0.6
95.01383	0.6
95.05030	1.1
96.95992	0.4
97.02963	1.3
97.06593	0.9
98.20690	0.8
99.00867	0.8
101.02445	4.6
104.05073	1.1
106.06608	0.9
107.01387	0.7
107.03793	1.8
108.04556	0.4
109.02982	0.7
109.06580	2.2
110.06915	0.4
113.02440	2.5
116.71656	0.4
116.92850	0.6
117.03436	0.5
119.03496	1.0
119.05007	1.5
120.04528	0.7
121.02989	1.0
122.03795	0.4
122.06136	13.8
123.04558	1.0
124.01640	0.4
124.07662	0.4
125.02457	4.4
125.06058	0.7
125.09715	0.7
126.90489	0.4
132.04527	0.6
134.06137	4.0
135.04578	0.9
135.08203	1.0
136.07648	0.5
137.02460	2.2
137.09735	0.4
145.05032	0.6
148.72960	0.3
149.02455	0.4
149.04536	0.4
151.00398	1.5
151.04021	0.9
152.07178	18.5
153.07544	0.8
155.10753	0.5
155.14433	0.5
160.04051	0.8
160.06422	0.6
161.02553	0.7
161.04594	1.7
163.11304	4.8
164.01125	0.6
164.11511	0.7
165.01913	1.4
165.12903	3.4
167.03520	0.5
169.12320	1.1
171.10271	6.1
174.05624	0.7
175.04033	0.8
177.01923	0.6
179.05528	0.7
180.06668	0.8
181.12392	1.7
183.13936	2.2
185.11835	1.6
188.07214	2.0
191.10777	1.4
193.12379	0.6
197.11777	0.5
199.13393	10.4
200.13774	0.7
201.11295	1.2
203.07149	0.5
207.10258	5.1
208.10582	1.6
209.11827	100.0
210.12155	8.8
211.08794	0.7
211.13428	10.8
212.13741	0.9
213.10336	2.6
221.11758	0.6
223.08813	0.4
225.11433	5.2
226.11577	1.5
227.12892	39.4
228.13245	3.2
229.14420	1.1
235.08275	3.1
237.10292	0.9
239.11955	1.6
241.13445	1.3
243.12190	0.4
245.13004	1.4
247.13354	1.4
249.06659	0.5
249.10379	0.9
250.07501	1.6
251.08173	1.5
251.11876	0.8
252.08997	0.6
253.09340	8.8
254.09801	0.8
263.08191	0.9
264.08987	0.6
265.09753	2.7
266.10364	0.5
267.11356	1.5
267.15878	0.5
271.06097	4.3
272.06461	0.9
273.06696	0.6
277.09665	1.0
278.06979	2.6
278.10123	0.7
279.07764	3.4
279.11371	1.1
285.12378	5.0
286.13019	0.5
289.07126	2.0
291.07834	0.5
292.08466	0.5
293.09320	11.4
293.13000	1.7
294.10016	3.8
295.10782	4.7
296.11105	0.6
305.09256	0.7
306.09976	1.4
307.10828	2.4
309.12302	1.3
313.11862	1.1
321.08728	1.1
321.12204	0.5
323.10388	1.3
325.11792	0.5
337.08298	8.0
337.12067	0.7
338.08728	1.8
339.09915	1.2
357.24319	0.4
358.15701	1.5
367.12143	0.6
383.22336	0.7
384.13419	0.8
400.16608	2.1
401.17383	0.6
401.23163	2.0
402.23965	0.4
412.16617	1.0
418.17639	0.5
419.24408	2.2
430.14087	1.2
431.18491	1.3
432.19269	1.0
444.15491	1.0
445.20651	1.8
458.17081	1.1
459.17929	3.3
460.18661	3.1
461.19873	1.3
462.16397	1.0
463.21896	5.0
474.20407	2.9
476.18112	0.9
486.16281	0.5
503.16748	2.7
504.17612	5.0
505.17795	1.0
511.26578	0.6
518.19293	14.1
519.19476	3.1
523.23315	1.1
535.19598	1.1
536.20428	1.7
537.50909	0.4
540.20807	0.5
550.21857	27.7
551.22205	6.0
565.24530	8.4
566.25000	2.1
597.26843	1.7
598.27142	0.7
609.23688	6.1
610.24237	1.4
611.31317	0.4
637.32166	4.3
638.32465	0.8
641.26263	19.6
642.26575	6.2
655.33221	5.7
656.34491	0.9
673.30334	8.1
674.30957	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	673.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01210	2.3
59.01549	2.4
61.98640	4.4
61.99008	5.3
62.71935	0.5
68.93210	0.5
70.98629	0.8
70.98952	0.8
71.01541	0.7
80.04760	2.5
80.05285	4.5
83.05204	0.6
87.00592	0.5
94.06876	1.7
101.02608	0.8
104.05334	2.4
106.06115	1.3
106.06915	2.9
107.03274	1.2
107.04054	5.0
108.04798	0.8
109.02530	0.7
109.03170	1.1
117.68546	0.5
120.03976	0.7
120.04821	1.7
120.08422	1.4
121.05574	1.0
122.04910	1.7
122.06428	40.7
123.04745	1.3
123.06757	1.8
124.07935	0.7
125.01740	1.1
125.02758	3.7
126.97941	0.5
132.04808	1.2
134.05328	1.7
134.06439	10.3
135.06671	0.6
136.07059	0.8
136.07990	1.7
137.02722	1.6
139.02995	1.3
146.06364	0.8
148.04375	2.2
150.05948	1.8
151.00667	1.5
152.06154	7.9
152.07516	59.7
153.07849	3.5
160.03160	0.7
160.04402	2.2
160.06779	2.6
161.04990	0.7
162.05850	0.8
164.01395	0.6
164.07385	0.6
165.02170	0.7
166.05493	0.7
174.05954	4.0
177.09473	0.8
180.07021	1.6
186.05891	1.0
188.07524	5.5
190.05466	2.5
198.13155	1.0
199.13739	2.0
205.05388	1.3
209.10098	0.9
209.12201	16.3
210.12450	1.1
211.09131	1.8
213.08514	0.9
213.10707	12.4
214.10962	0.9
214.12767	0.7
220.10625	0.6
221.11258	0.7
223.09030	1.4
224.09898	1.3
225.10745	4.0
226.11487	2.4
227.13046	8.0
235.08940	1.5
237.10670	2.4
238.11256	0.7
239.08554	0.9
239.09598	1.3
239.12291	11.9
240.12491	1.1
241.13525	7.5
242.14185	0.7
245.08617	0.8
245.10699	0.7
245.12938	9.4
246.13438	0.9
248.09879	0.7
249.07037	1.1
249.10693	1.6
250.07886	3.7
251.08168	3.4
251.11880	3.6
252.09431	1.7
253.09679	4.7
254.10559	1.0
262.07944	0.6
263.08600	2.6
264.09140	0.7
265.07056	1.4
265.09811	8.1
266.10944	2.0
267.11310	4.4
269.13062	0.6
277.07141	1.2
277.10245	3.6
278.07370	5.5
278.10895	3.8
279.08121	7.1
279.11664	2.8
280.08661	1.2
281.09760	0.8
285.04507	2.2
285.12451	29.8
286.12842	2.7
287.05865	0.9
289.07205	7.1
291.08057	1.4
291.11426	0.9
292.08694	1.1
293.09705	19.5
293.13315	8.3
294.09979	8.0
294.13095	1.0
295.10846	17.7
296.11725	1.6
306.10553	2.9
307.10864	7.1
308.11508	0.9
309.12863	1.8
313.12018	3.7
316.14902	0.9
321.09329	1.3
323.10370	7.6
324.11172	1.3
325.12350	2.6
328.11111	1.0
332.18039	1.4
337.08298	11.8
338.08960	3.2
339.10202	3.4
339.13443	0.9
340.10809	1.0
340.14929	1.7
341.11792	0.7
341.15509	0.8
342.12720	1.2
343.13562	1.8
344.14224	1.5
345.14728	0.7
350.09619	0.7
351.10312	1.2
355.13391	2.2
356.14175	1.3
356.18051	1.8
357.15424	2.4
358.15570	11.1
359.16443	1.9
366.12665	0.6
367.13870	0.6
369.14713	0.9
370.12268	2.1
372.13397	0.7
372.17599	1.3
374.18854	0.7
382.15790	0.7
384.13190	2.8
385.14185	1.2
386.15314	0.7
388.16815	0.7
389.17728	1.0
396.13690	0.7
397.14209	0.7
398.15286	1.3
399.15784	1.1
400.16656	14.6
401.17194	2.8
402.14359	0.8
412.16611	5.4
413.17468	1.2
417.17154	2.2
418.17841	1.2
430.14102	1.6
431.18668	2.1
432.19556	3.1
440.16434	0.7
442.18250	0.8
444.16125	1.9
458.17526	2.1
459.17908	7.4
460.18732	9.3
461.19473	2.0
462.17114	1.6
463.17331	1.5
468.16153	0.7
474.20490	5.7
475.21439	1.1
476.18243	2.7
486.16663	2.3
497.25763	1.4
503.17010	5.2
504.17657	17.0
504.24606	1.1
505.17828	3.5
511.36841	0.7
518.19312	24.2
519.19708	4.0
523.23578	4.6
524.23779	1.2
535.19745	1.0
536.20288	2.8
537.25415	1.0
547.24695	0.6
550.21893	29.8
551.22150	5.8
565.24597	58.9
566.25037	12.8
568.23669	1.7
597.27252	8.9
598.27631	2.3
609.13397	0.9
609.16217	0.6
609.23694	35.4
610.24005	8.8
641.26263	100.0
642.26538	24.5
673.28986	21.9
673.40607	1.6
674.29669	5.0
674.40955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.29
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.4
59.01374	14.9
61.98832	94.4
63.99261	1.3
64.30324	1.0
65.00328	4.2
69.03466	1.5
70.52135	2.1
70.52548	2.0
71.01387	10.6
72.68895	1.1
72.99316	2.5
73.02953	3.2
73.89633	0.9
75.00865	3.6
78.95901	2.7
80.05065	4.9
81.03472	3.8
83.01399	9.5
83.05037	6.2
85.02973	3.7
87.00885	2.9
88.98813	4.0
89.02449	5.8
93.03479	4.7
94.06634	2.2
95.05074	3.4
96.29849	1.0
96.96018	1.7
97.02977	6.6
99.00873	2.4
99.51511	1.0
101.02467	8.0
101.29533	1.1
104.05089	2.6
106.06647	4.6
106.35389	1.0
107.01414	7.2
107.03814	6.3
108.02200	3.1
108.04579	1.4
109.02975	18.2
111.00897	1.3
111.04532	1.8
111.08181	1.8
113.02500	3.6
116.92879	2.7
117.03439	1.4
119.03558	2.1
119.05052	3.9
120.02232	1.2
120.04588	1.5
120.08210	1.0
121.02989	3.2
122.03778	2.8
122.06139	41.3
123.00851	1.3
123.04548	16.1
123.06472	1.9
123.08197	1.6
124.01685	2.9
125.02464	53.8
125.06136	1.8
125.09757	2.4
126.02779	2.1
127.04075	1.0
132.04585	1.8
133.02927	1.3
134.06145	10.3
135.04555	20.5
135.08145	1.7
136.01636	1.3
137.02470	24.0
137.09749	1.4
138.02856	1.3
139.02843	2.1
139.04033	3.5
139.07664	2.5
145.03012	6.3
147.04550	1.5
148.04002	1.9
149.02477	5.4
149.06155	1.3
150.03244	2.7
150.05748	1.7
151.00404	40.2
151.04024	13.1
151.07652	1.7
152.01129	2.2
152.07196	56.2
153.01953	4.8
153.05614	3.0
153.07538	2.7
155.10808	1.9
159.03020	1.6
159.04501	2.3
160.01724	2.3
160.04050	1.3
160.06453	2.1
161.02492	6.6
161.04617	3.1
161.06111	4.6
162.06947	1.2
163.00391	2.9
163.03999	3.5
163.11310	4.5
164.01169	12.4
165.01944	12.4
165.12872	2.5
166.02678	1.4
167.03561	2.4
169.01445	2.1
169.12408	1.1
171.10287	2.7
174.03267	1.3
174.05588	2.5
175.00491	1.1
175.03976	7.3
175.07605	2.3
177.01978	7.4
177.04073	2.6
177.09239	2.4
178.99866	2.2
179.03522	6.0
179.05635	1.7
180.06691	3.1
181.12408	2.3
183.13928	1.9
187.03995	3.4
188.04761	1.8
188.07217	5.5
190.05115	1.9
191.05621	1.5
191.10715	1.2
199.04005	1.5
199.13445	10.0
201.05577	1.9
201.11363	4.4
203.03629	1.5
203.07138	8.2
205.05022	6.3
207.10277	2.1
209.11850	100.0
210.12215	7.9
211.08797	2.5
213.10330	7.8
217.05186	1.9
221.08305	1.6
225.10443	4.2
226.11256	2.5
227.03528	1.3
227.07022	1.6
227.12932	43.5
228.13237	3.8
231.02940	1.7
235.08322	2.9
237.10437	3.2
239.08327	1.6
239.11902	11.6
240.04420	1.2
240.12178	1.2
241.05103	1.3
241.10962	1.5
241.13448	4.4
243.03030	2.0
245.04539	1.6
245.08244	13.4
245.12868	5.2
247.06299	1.3
250.07425	2.3
251.08269	1.8
251.11949	3.6
252.09097	1.6
253.09445	9.8
254.10138	1.3
255.03040	2.3
256.03497	1.7
259.06235	1.8
263.08237	1.7
265.09860	6.2
266.10376	1.9
267.11261	3.7
269.04523	3.6
271.06119	10.4
272.06561	3.3
273.04111	1.8
277.09799	3.0
278.07043	2.7
278.10471	2.5
279.07739	4.7
279.11124	1.7
280.08395	1.4
285.04126	13.3
285.12445	21.4
286.04730	2.5
286.12744	1.5
287.05652	18.5
288.06216	3.5
289.07181	87.0
290.07593	8.4
291.07660	1.6
292.08740	1.5
293.09305	11.5
293.12888	4.4
293.29602	1.1
294.09888	3.8
295.10843	14.4
296.11368	2.5
303.05109	10.1
306.10062	2.7
307.10980	3.4
309.12686	1.4
313.12158	3.6
323.10382	4.2
325.11981	3.4
326.12567	1.8
328.10907	1.4
337.08334	7.6
338.08856	1.9
339.09552	2.2
341.06873	1.6
341.11359	1.1
342.12500	1.8
344.13794	1.3
355.13065	1.7
356.17947	1.9
358.15582	9.3
359.15897	1.5
363.08969	1.2
370.11795	1.7
373.25882	1.9
379.16251	1.3
383.11453	2.9
384.13364	1.7
385.14603	4.0
400.16629	9.5
407.07715	5.3
408.07813	1.1
412.16501	2.1
417.16962	3.0
419.18820	2.0
419.24216	2.3
425.08847	2.8
431.18448	1.5
432.19229	3.9
435.07074	1.7
453.08365	1.4
458.17120	2.6
459.17911	4.7
460.18851	5.9
462.16592	1.6
463.16782	2.4
463.21866	3.8
474.20184	3.9
476.18182	2.6
478.19772	4.4
479.20343	1.3
497.25131	1.3
503.16901	1.8
504.17786	9.0
505.17340	1.5
511.35898	3.1
518.19354	14.1
519.19470	2.9
521.14563	2.1
523.23145	4.2
524.23834	1.9
536.20349	3.3
550.21844	25.3
551.22144	6.7
565.24677	27.9
566.25342	6.1
597.26874	3.8
609.23676	31.6
610.23798	7.7
637.31879	5.3
641.26294	44.1
642.26532	11.3
655.33270	5.6
673.20215	3.1
673.28644	32.9
673.41022	5.9
674.19501	1.8
674.29077	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	673.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	9.7
59.01374	4.5
61.98832	5.5
63.02398	1.9
65.00323	2.9
67.01908	0.4
68.99832	0.7
69.03469	0.4
69.31882	4.1
71.01382	2.2
72.35597	0.4
73.02963	0.6
76.18926	0.4
79.81594	0.3
81.03462	0.8
83.01394	5.5
83.05049	1.7
85.02972	0.8
89.02449	1.3
91.44940	0.4
93.03467	2.1
95.01412	1.3
95.05018	0.7
97.02950	1.1
98.19882	0.8
101.02457	1.4
105.03440	0.4
107.01400	5.8
107.05013	0.4
107.25380	0.4
108.02233	2.4
109.02962	7.4
110.03329	0.5
111.00893	0.6
113.02463	1.2
118.32773	0.4
118.37287	0.4
119.05033	0.8
121.02986	2.2
122.03777	0.9
123.00892	0.5
123.04542	4.1
124.01695	2.3
125.02463	100.0
126.02792	3.3
133.02963	1.3
135.00893	1.1
135.04492	2.1
135.08150	0.5
137.02467	7.5
139.04042	2.3
145.02957	1.0
146.03795	0.4
147.04524	1.4
149.02449	8.2
150.03247	2.8
151.00389	18.7
151.04022	4.2
152.01201	6.3
153.01959	23.5
154.02287	1.0
159.04549	1.2
160.01686	0.4
160.35608	0.3
161.02467	5.8
161.04626	0.7
161.06107	2.0
162.03154	0.7
163.00400	4.2
163.04057	0.9
163.11314	1.3
164.01196	2.3
165.01900	3.2
165.12857	1.1
166.02657	1.0
167.03516	1.5
168.00626	0.4
169.01416	2.4
171.04494	1.1
171.10269	0.6
172.05357	0.4
173.02469	0.4
173.06155	0.8
174.03259	2.9
175.00394	0.6
175.04008	14.3
175.07610	0.4
176.01161	1.2
176.04317	0.6
177.01944	20.2
178.02324	1.0
178.99878	20.7
179.03473	1.4
180.00172	1.1
181.01440	3.6
181.12325	0.4
185.06065	0.5
187.04031	1.7
188.04813	2.1
189.01929	0.5
189.05580	3.5
191.03537	1.2
193.05153	0.6
195.02995	0.4
197.06096	0.7
198.03255	0.6
199.04024	9.0
199.09688	0.4
200.04370	0.4
201.01941	2.4
203.07190	1.7
205.01379	1.2
205.05070	1.2
209.11841	36.9
210.12215	3.0
213.05537	1.8
215.03447	0.5
215.07181	0.4
216.04317	1.2
217.05069	8.9
218.05498	0.8
219.02927	0.4
225.11230	1.1
227.12897	6.5
228.13382	0.7
229.05070	1.2
230.05710	0.5
230.07890	0.6
231.06630	1.4
235.08272	0.5
241.05078	6.6
242.05443	0.7
243.02979	1.2
245.04558	0.9
245.08093	1.8
253.09271	1.5
255.03008	1.5
256.03613	0.7
257.04568	2.0
259.06064	4.1
267.02869	0.7
271.06027	1.1
273.04056	1.6
275.05563	11.2
276.05893	1.2
279.70239	0.5
281.04544	0.6
284.03214	0.5
285.04041	62.6
286.04385	6.6
287.05548	3.0
288.06061	0.8
289.07187	11.7
290.07755	0.7
291.12390	1.1
299.05716	2.1
303.05096	97.5
304.05444	9.1
309.03891	0.5
327.05118	1.8
328.05487	0.7
341.06549	0.7
369.05963	0.8
369.15512	1.1
383.11200	0.5
385.13086	1.1
407.07483	1.5
425.08759	1.0
474.17413	0.4
503.13586	1.2
511.18427	0.4
521.14581	2.2
522.14893	0.7
523.18280	0.7
547.15820	0.5
551.17444	0.9
627.18591	0.4
637.32880	0.4
645.21393	0.6
646.21869	0.6
655.20313	1.6
656.21130	0.5
673.21509	11.9
673.33563	3.7
673.43878	4.6
674.21869	2.1
674.33447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98826	100.0
62.98501	0.2
67.25381	0.1
70.62982	0.1
71.60593	0.2
78.95906	1.9
86.67687	0.1
117.03455	0.2
145.02966	0.9
146.03293	0.3
152.99605	0.6
153.99883	0.2
207.10472	0.2
208.10733	0.1
209.11850	0.3
211.13455	0.4
216.48767	0.1
223.13441	0.2
263.16522	0.1
331.40933	0.1
350.30032	0.1
383.51343	0.1
394.76480	0.1
498.41727	0.2
557.23950	0.2
634.38104	1.1
635.38361	0.2
655.33728	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	673.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62509	0.5
57.03446	14.9
59.01375	5.1
61.98833	4.9
64.12807	0.6
67.16126	0.6
69.03461	1.5
70.25220	0.7
71.01390	4.4
71.01759	0.9
71.59042	0.8
72.99302	1.1
73.02929	0.8
75.00886	2.7
75.18657	0.5
80.80802	0.6
81.03481	2.2
83.01387	5.7
83.05059	0.7
84.37739	0.6
85.02959	3.0
87.00896	1.4
89.02454	1.9
93.03462	5.5
95.01402	1.9
95.05032	1.8
96.96014	1.0
97.02972	4.6
99.04534	0.6
101.02455	2.5
105.01959	0.7
107.05025	1.1
108.02192	5.0
109.02968	16.8
110.03307	0.6
111.04538	1.1
113.02465	2.1
116.92845	1.5
117.90034	0.6
119.05034	2.1
121.02962	3.7
122.03773	1.3
123.00880	2.7
123.04526	9.8
124.01679	5.5
125.02457	100.0
126.02803	3.7
131.05048	1.2
133.02953	2.0
135.04526	2.9
135.08115	0.6
137.02457	33.8
138.02870	1.1
139.03989	2.7
143.04951	0.8
145.02992	2.1
146.03728	2.2
147.04544	1.2
149.02473	5.0
149.06145	1.0
149.99596	4.4
150.03197	1.7
151.04024	9.9
152.01141	5.2
153.01929	2.3
153.09209	1.2
155.10825	1.6
159.03302	0.6
159.04491	3.6
160.01662	2.1
160.05290	1.0
161.02464	9.9
161.06087	3.3
162.03177	1.0
163.00388	3.2
163.04047	3.9
164.01147	8.1
164.04352	0.7
165.01941	15.7
165.05608	1.0
166.02501	0.6
167.03503	4.2
168.00659	10.1
169.01395	2.4
173.06047	3.1
174.03250	2.3
174.06903	0.8
175.02486	1.0
175.03995	8.3
175.07616	4.2
176.01178	1.2
176.04639	1.2
177.01927	8.7
177.04004	2.2
177.05408	0.8
178.02586	1.3
179.03499	6.4
185.06073	0.9
187.04016	6.9
187.07631	1.3
188.04735	2.9
189.05545	1.1
190.02708	1.1
191.03549	1.7
191.07222	0.8
193.05110	1.7
196.05319	0.7
197.06117	0.8
199.03923	3.3
199.09787	0.9
200.04732	2.3
201.05508	2.5
201.09157	1.2
202.06190	1.6
203.03389	1.8
203.07108	6.7
204.04280	1.5
205.01421	4.3
205.05058	5.2
211.03935	1.3
213.05557	2.3
214.06136	0.8
215.03470	1.1
215.07083	1.3
217.05017	1.9
217.08626	3.0
219.02835	1.1
221.07982	1.2
224.04745	1.3
225.05608	0.8
227.03430	2.6
227.07205	0.9
228.04190	2.7
229.05055	3.4
229.08640	3.0
231.02893	1.3
238.06145	0.7
239.07237	0.9
241.05101	1.2
243.02901	3.0
243.06439	1.0
245.04451	1.9
245.08113	7.6
247.05972	1.5
253.05013	0.8
255.02950	7.6
255.10242	1.5
256.03668	6.2
257.04477	2.0
257.08142	7.6
267.02780	0.8
269.04529	2.1
271.06070	1.0
273.04010	5.3
281.04337	2.3
281.07590	0.9
282.01608	1.4
283.02325	3.0
284.03027	0.9
285.03976	3.5
285.07050	0.9
286.04593	2.5
287.05414	2.3
288.02615	1.1
289.07156	32.5
290.07593	3.1
297.04010	1.2
297.07465	0.7
297.11176	1.6
299.05505	1.6
299.12732	1.1
323.12793	1.2
328.06073	1.1
329.06668	3.5
337.12119	0.8
339.08594	2.4
339.12234	0.9
341.10172	2.2
365.10251	0.8
367.11877	4.9
381.09631	1.8
383.11359	13.6
384.11450	2.5
385.12909	8.4
386.13272	0.8
389.06757	0.8
395.11188	4.5
396.11731	0.9
407.07709	35.3
408.07996	5.0
425.03201	1.0
425.08734	19.5
426.08920	2.6
450.09366	0.7
451.19772	3.3
485.12085	6.7
503.13284	8.9
511.13989	4.7
512.14398	0.9
521.14618	5.4
529.14648	2.1
547.15973	11.0
548.15680	1.6
629.20459	1.9
655.18378	2.0
673.20001	25.1
674.20404	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	672.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.1
57.03450	0.6
59.01369	1.1
61.98829	100.0
62.98537	0.2
65.00318	0.2
69.03436	0.2
70.50711	0.1
71.01398	0.9
72.99336	0.1
73.02961	0.2
75.00878	0.1
78.95879	0.1
80.02740	0.1
81.03467	0.3
83.01406	0.5
83.05050	0.5
84.02191	0.1
85.02969	0.4
87.00889	0.2
88.98812	0.2
89.02471	0.4
93.03474	0.3
95.01411	0.2
95.05037	0.2
96.96101	0.1
97.02981	0.4
97.06666	0.1
98.20663	0.2
99.04557	0.1
101.02458	0.6
101.70286	0.1
107.01405	0.3
107.04942	0.1
108.02203	0.2
109.02982	0.8
109.06610	0.5
110.03304	0.1
111.04549	0.2
113.02489	0.4
116.92887	0.2
119.03585	0.1
119.05043	0.8
121.02997	0.3
121.06551	0.1
122.03763	0.4
122.06123	0.2
123.04591	0.6
124.01707	0.3
125.02465	3.6
125.06094	0.1
126.02795	0.2
130.96661	0.1
133.02991	0.2
134.06161	0.1
135.00955	0.1
135.04561	0.2
135.08177	0.3
137.02461	2.1
138.01973	0.1
138.03020	0.2
139.04059	0.1
145.03006	0.3
147.08250	0.1
149.02512	0.4
149.06082	0.1
150.03247	0.2
150.06888	0.2
151.00388	1.3
151.04033	0.6
151.07457	0.1
152.07228	0.3
153.01970	0.4
155.10870	0.2
159.04572	0.1
160.01709	0.2
161.02452	0.6
161.04575	0.2
161.06094	0.3
162.02943	0.1
162.06900	0.4
163.00446	0.4
163.04044	0.4
163.07710	0.2
163.11322	0.7
164.01128	0.5
164.11678	0.2
165.01947	1.8
165.12888	0.2
166.02319	0.2
167.03543	0.2
168.00677	0.2
168.12640	0.1
169.12378	0.2
171.10345	0.2
173.06110	0.1
175.04080	0.5
176.01221	0.2
176.04388	0.1
177.01967	0.4
177.09244	0.4
178.99995	0.1
179.03578	0.3
179.10851	0.2
181.12474	0.2
183.13945	0.1
187.04033	0.2
188.04634	0.1
191.03636	0.1
191.05573	0.2
191.07231	0.2
192.07526	0.2
199.04160	0.1
199.13417	1.0
201.05637	0.2
203.03430	0.1
203.07219	0.3
205.05165	0.3
207.10277	1.2
208.10652	0.3
209.11835	7.9
210.12173	0.7
211.04205	0.1
211.13358	0.2
217.05107	0.2
225.11313	1.6
225.13292	0.2
226.11737	0.6
227.03589	0.1
227.07170	0.1
227.12892	3.9
228.13245	0.2
229.05176	0.2
231.02856	0.1
233.08406	0.1
235.08331	0.3
241.04994	0.1
243.02817	0.1
245.08238	0.4
247.13658	0.1
253.09270	0.8
255.03065	0.3
256.03607	0.3
257.04413	0.2
267.37064	0.1
269.04633	0.1
271.06100	3.0
272.06555	0.4
281.04718	0.1
283.02768	0.1
284.03259	0.4
285.04013	1.3
286.04398	0.6
287.05557	0.4
288.06366	0.4
289.07104	1.8
297.03986	0.1
301.03558	0.3
303.04987	0.1
326.04047	0.1
337.09375	0.4
359.28094	0.3
360.28513	0.1
375.27505	0.1
385.12961	0.2
407.07635	0.1
419.24118	0.1
423.07077	0.1
424.07611	0.2
443.19205	0.1
448.07919	0.1
449.08353	0.1
451.06647	0.3
452.07166	0.4
461.20349	0.3
462.20944	0.2
463.21942	0.4
509.27087	0.1
509.34549	0.6
510.26431	0.3
510.35416	0.3
521.14502	0.2
546.15338	0.2
547.15955	0.1
575.11847	0.2
596.22552	0.1
597.24042	0.1
609.15967	0.5
636.31372	0.1
637.32849	0.4
641.26361	0.4
653.31830	0.1
654.32257	0.3
655.33649	0.4
671.32086	0.7
671.42310	0.8
672.18628	0.4
672.32220	2.2
673.19794	0.3
673.31879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.1
59.01382	0.2
61.98830	100.0
62.98536	0.2
63.02405	0.1
65.00326	0.3
69.52935	0.5
69.53343	0.1
71.01401	0.2
83.01402	0.3
87.00915	0.1
89.02464	0.1
93.03483	0.3
97.02956	0.1
101.02465	0.1
107.01389	0.5
109.03012	0.2
113.02470	0.1
119.05040	0.9
121.02956	0.1
123.04538	0.2
125.02451	0.8
135.04576	0.2
137.02437	0.4
143.05098	0.1
145.03001	0.2
150.06880	0.3
151.00388	2.1
151.04027	0.2
152.07199	0.1
160.01642	0.1
161.02431	0.2
161.06084	0.1
163.04019	0.1
163.11353	0.1
164.01237	0.1
164.08479	0.2
165.01985	0.4
175.00528	0.1
175.04056	0.2
177.01988	0.3
179.03632	0.1
179.10800	0.1
187.04056	0.1
199.13445	0.1
201.11302	0.1
203.07281	0.1
205.05191	0.1
209.11829	1.2
210.12299	0.1
225.11433	0.2
227.07303	0.1
227.12869	0.6
245.08235	0.1
253.09370	0.2
271.06091	5.2
272.06393	0.7
285.04004	1.1
287.05701	0.3
289.07132	0.7
337.09329	0.8
338.09613	0.1
505.83325	0.1
509.34921	0.1
510.25970	0.1
511.36652	0.1
585.35919	0.1
609.16235	1.6
610.16736	0.5
671.40735	0.4
672.30585	0.1
672.41760	0.4
673.42340	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	671.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
56.38279	0.4
57.03450	1.2
58.00590	0.6
59.01373	10.6
61.98829	7.2
69.03463	0.7
70.12325	0.8
70.12690	1.8
71.01378	7.0
71.05030	0.5
72.99308	0.5
73.02947	1.6
75.00883	0.5
78.65153	0.4
80.02680	2.4
81.03458	3.9
83.01381	1.8
83.05025	8.0
83.05486	0.6
83.91867	0.4
84.02175	1.3
85.02954	2.6
87.00898	1.2
88.98826	0.6
89.02447	4.6
93.03465	1.6
95.01394	1.0
95.05032	1.9
97.02954	6.2
97.06621	0.8
99.00886	1.7
101.02448	5.5
106.04300	0.5
107.01395	0.5
107.05052	0.7
109.02944	1.0
109.06600	23.6
110.03749	1.3
110.06899	1.0
111.00868	0.5
111.04525	0.9
113.02469	3.1
119.03519	1.1
119.05045	1.0
121.02995	0.8
121.06615	1.5
122.03775	0.7
122.06104	2.6
123.04555	1.5
123.08194	0.9
124.01627	0.6
125.02456	3.1
125.06142	0.4
125.09755	3.2
131.03503	0.5
133.06569	0.4
135.04642	0.4
135.08200	3.4
136.05328	1.4
137.02452	1.1
139.04008	0.4
142.02734	2.0
143.03552	0.9
145.03024	0.5
145.05119	0.7
145.10185	0.5
149.02383	0.5
149.09785	0.4
151.00389	1.2
151.04010	1.1
152.01192	0.4
152.07158	3.1
160.01683	1.0
161.02411	0.4
161.04591	2.1
161.05765	0.4
161.09746	1.4
162.28159	0.4
163.07649	0.4
163.11299	17.3
164.11655	1.3
165.02011	0.6
165.09254	0.5
165.12885	2.4
168.00655	1.4
171.10257	3.4
175.04031	1.2
176.10680	0.4
177.09276	0.5
179.05634	0.8
179.10760	0.7
181.12367	3.6
185.11871	2.8
187.09773	0.8
189.09222	1.8
191.10776	1.0
197.11922	0.7
199.13441	0.9
201.11308	0.8
203.14488	0.5
205.12376	0.6
207.10260	65.7
208.10568	4.9
209.11824	100.0
210.12152	6.4
213.09175	0.5
217.12395	0.6
221.11856	1.2
223.13414	1.0
225.11320	36.4
226.11595	2.5
227.12886	14.5
228.13231	0.7
231.10242	1.3
235.08224	3.8
235.13422	1.1
243.12192	0.5
245.11740	0.9
247.13193	1.0
249.11263	1.1
251.12917	0.7
253.09251	10.3
254.09689	0.6
263.12808	1.1
265.09897	0.9
265.14142	0.7
271.06039	1.8
277.09891	0.5
279.26089	0.4
285.04187	0.5
289.07385	0.5
293.09241	3.0
299.15106	0.8
301.07535	0.4
305.09210	0.9
355.12973	0.4
355.22595	0.5
373.23944	0.8
376.98553	0.4
389.23184	1.0
399.21774	5.2
400.21945	0.8
405.17676	0.7
417.22760	4.7
418.22946	1.1
423.07407	0.6
435.23572	0.9
443.19272	3.1
444.19510	1.2
445.20547	1.1
447.34433	0.5
447.48093	0.4
458.16986	1.0
461.09692	0.5
461.20279	10.3
462.20630	1.4
473.25345	0.4
473.36377	0.7
485.20029	0.6
491.26257	0.7
491.33267	0.7
502.16165	2.9
503.16483	0.6
509.25464	2.0
509.35104	0.7
517.18396	1.4
534.18488	0.7
563.22986	0.9
609.28937	0.5
625.32489	0.8
627.29803	1.1
635.30847	13.3
636.31207	2.8
639.24811	3.5
640.24902	0.6
653.31812	15.7
654.32428	3.4
671.32599	31.4
672.32977	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	671.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03445	1.5
57.26570	0.4
59.01381	9.1
61.98832	8.8
65.00341	0.9
69.03463	1.3
70.73974	0.7
71.01382	7.8
72.99323	0.8
73.02959	2.2
75.00877	0.4
78.72430	0.3
78.95908	2.1
80.02689	1.9
81.03473	3.2
82.46445	0.3
83.01407	2.3
83.05031	7.6
84.02168	1.3
85.02948	3.0
87.00897	1.6
88.98827	0.6
89.02464	4.2
93.03445	2.2
95.01385	1.0
95.05036	2.1
96.96965	0.4
97.02956	5.5
97.06619	0.8
99.00886	4.1
99.04544	0.5
101.02455	5.8
106.04240	0.4
107.01411	1.3
107.05013	0.5
108.02203	0.7
109.02979	1.3
109.06602	17.3
110.03726	1.1
111.00913	0.6
111.04566	1.0
111.08163	0.4
113.02464	2.5
119.03533	1.0
119.05023	2.9
121.02988	1.1
121.06593	1.9
122.03772	0.7
123.00902	1.1
123.04531	1.3
123.08192	1.0
124.01684	3.6
125.02471	9.7
125.06136	0.8
125.09753	3.5
126.02741	0.6
127.11300	0.5
131.03635	0.4
133.06552	0.7
134.03763	0.5
135.08177	3.5
136.05330	1.2
137.02527	2.2
142.02696	1.7
143.03503	0.4
145.02960	0.5
145.05052	0.8
145.10300	0.5
149.02409	0.7
149.99588	4.0
150.03233	0.8
151.00371	4.9
151.04033	0.5
151.07645	0.6
151.11288	0.5
152.99637	0.5
161.04579	1.8
161.05936	0.5
161.09763	1.2
162.06935	0.5
163.11302	14.2
164.01266	0.4
164.11649	1.3
165.01959	1.1
165.09227	0.5
165.12874	2.8
166.13112	0.3
166.20517	0.4
168.00653	8.5
169.01309	1.1
171.10297	4.5
173.04585	0.4
175.03949	0.6
177.01967	1.0
177.04057	0.9
177.20343	0.4
179.05548	0.6
179.10773	0.9
181.12370	6.6
182.12718	0.6
185.11888	1.9
189.09288	2.1
190.43701	0.4
191.10812	1.4
197.11803	0.4
199.13408	1.0
201.11310	2.5
203.14421	0.3
207.10268	59.0
208.10622	4.6
209.11830	100.0
210.12172	7.1
211.13266	0.6
212.24390	0.4
221.11803	1.0
223.13350	1.1
225.11320	54.0
226.11646	4.9
227.07068	0.4
227.12880	15.6
228.13182	1.3
231.10226	0.8
235.08189	2.8
235.13411	0.9
243.12334	2.6
244.12688	0.5
245.11703	0.5
247.13403	1.1
249.11313	1.1
253.09262	8.5
254.09798	0.7
255.02718	0.4
263.12830	1.3
265.14481	0.7
271.06113	8.6
272.06387	1.1
273.06979	0.5
281.13922	1.0
285.03769	0.8
299.15005	1.0
355.22821	0.6
373.23816	1.2
391.24936	0.8
399.21805	4.3
400.22153	0.7
417.22665	3.9
418.23300	0.4
423.07095	0.7
435.23785	0.9
443.19330	3.3
444.19568	0.6
445.20786	0.9
461.20294	14.6
461.26880	0.8
462.20703	2.3
477.97302	0.4
509.25745	2.0
609.32355	0.7
627.30493	0.6
635.30798	8.1
636.31567	2.9
653.31854	15.9
654.32056	4.0
671.32593	43.3
672.17639	0.5
672.19818	0.6
672.33026	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	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10839	0.3
57.03440	0.8
59.01377	0.9
61.98839	2.3
69.03477	0.4
71.01379	1.5
73.02946	0.9
75.65456	0.3
81.03469	1.4
85.02945	2.0
93.03472	2.1
95.01383	1.6
97.06602	0.3
99.92582	0.6
101.02464	1.1
107.01433	0.5
108.02183	48.5
109.02973	35.0
110.03291	1.3
113.02464	0.9
116.92869	7.5
117.92890	0.5
121.02968	0.9
123.00903	1.3
123.04539	0.9
123.08218	0.4
125.02423	2.2
125.09763	0.5
127.11340	0.4
133.02971	0.3
135.04533	0.8
135.05505	0.4
137.02458	2.5
137.09697	0.3
149.65109	0.3
151.00356	0.8
151.04034	0.9
152.01166	57.3
153.01962	18.5
154.02385	0.7
155.10855	0.5
163.04024	0.9
165.01959	1.0
171.10326	1.7
175.04094	0.4
177.01945	0.4
185.11809	1.4
195.03065	0.4
209.11752	0.5
211.07141	0.3
225.04008	0.4
225.11284	0.7
229.71786	0.4
285.04105	1.2
287.05698	0.5
297.06131	0.3
303.05145	1.0
355.24948	0.5
371.24799	0.5
373.25934	21.5
374.26385	3.0
465.32062	0.3
545.41718	0.3
671.32861	100.0
672.33167	23.5
672.44995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43279	0.3
55.01877	0.3
57.03444	1.0
59.01376	2.5
61.98831	10.7
65.00378	0.3
69.03456	0.8
69.80155	0.2
70.93207	0.6
70.93576	0.5
71.01392	1.8
73.02956	0.7
76.99770	0.3
81.03467	1.4
83.01400	0.8
83.05041	0.3
85.02950	2.4
87.00816	0.3
88.98826	0.4
89.02461	0.3
89.47715	0.3
93.03467	2.0
95.01395	2.0
97.02969	0.6
97.06599	0.6
99.00900	0.6
101.02460	1.0
107.01427	0.4
108.02186	47.7
109.02981	37.8
109.03545	0.5
109.03769	0.4
109.06596	0.4
110.03303	1.9
111.08149	0.3
113.02455	1.0
116.92860	1.7
119.05113	0.5
121.00316	0.4
121.02978	1.2
122.03759	0.5
123.00874	1.9
123.04546	2.0
123.08199	0.9
125.01535	0.4
125.02464	6.2
126.02763	0.3
133.02933	0.8
135.00876	0.6
135.04541	0.7
137.02470	2.7
142.15814	0.3
145.03015	0.3
149.02463	0.7
151.00447	1.6
151.03960	1.5
152.01169	57.3
153.01959	21.7
153.05589	0.9
154.02248	1.1
155.10866	0.4
159.02930	0.3
161.02464	0.7
161.04535	0.3
163.00397	0.8
163.03999	1.3
163.11287	0.3
165.01971	1.3
165.05560	0.3
167.03493	0.3
171.10265	0.9
175.04028	1.1
177.01910	1.4
178.99881	1.0
179.10881	0.4
181.05069	0.4
185.11847	3.3
186.12137	0.4
189.05534	0.5
195.03043	0.5
199.03999	0.7
207.10260	1.3
209.11862	2.7
210.12166	0.3
214.12048	0.4
217.05052	0.8
225.03935	0.3
225.11317	1.3
227.12914	0.5
235.08229	0.3
257.04556	0.3
269.04623	0.3
271.05978	0.5
275.05603	1.0
284.03369	0.3
285.04034	4.2
286.04333	0.4
287.05615	0.4
289.07193	0.4
293.04605	0.3
297.06256	0.4
303.05112	4.5
304.05386	0.3
355.24826	1.0
371.24390	0.8
372.24722	0.5
373.25931	20.0
374.26340	2.2
451.06235	0.3
461.20325	0.4
545.14520	0.5
553.31757	0.3
611.30566	0.8
653.30615	0.3
654.44537	0.3
671.32794	100.0
672.33154	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07178	0.5
55.01862	1.3
57.03430	0.9
59.01377	12.2
61.98833	17.7
63.02376	0.6
65.00308	1.4
67.01891	0.4
69.03436	1.6
69.54162	3.6
71.01387	9.4
71.05013	0.6
72.99296	1.3
73.02943	2.2
73.03286	0.5
75.00855	0.7
80.02675	2.2
81.03461	3.3
83.01393	2.8
83.05032	7.6
84.02158	1.3
85.02947	2.6
87.00868	1.7
88.98790	1.1
89.02455	6.0
93.03477	3.2
94.06616	1.8
95.01376	1.6
95.05001	2.3
96.18937	0.4
96.95992	0.6
97.02962	5.1
97.06600	0.8
99.00872	1.8
99.04507	0.7
101.02449	7.4
107.01410	2.9
107.03772	3.5
107.05017	0.9
108.02189	0.5
109.02985	3.0
109.05899	1.0
109.06609	17.5
110.03750	0.6
110.06899	0.4
111.00884	0.7
111.04524	0.5
111.08087	0.4
111.20100	0.4
113.02483	4.2
116.92892	0.7
119.03543	2.3
119.05038	6.5
120.04578	0.6
121.02982	1.1
121.06603	2.2
122.03721	0.9
122.06139	20.6
123.00848	1.3
123.04556	3.4
123.06487	0.6
123.08125	1.1
124.01677	3.6
125.01659	0.5
125.02480	8.9
125.06068	1.3
125.09743	2.7
126.02797	0.9
130.80191	0.4
134.06139	2.9
135.04532	0.9
135.08182	3.7
136.05295	1.0
137.02458	3.7
139.02748	1.0
139.03958	0.5
142.02684	1.4
143.03520	0.7
145.03011	0.9
145.05086	0.6
145.10274	0.5
147.08168	0.5
149.02452	0.7
149.06143	0.6
149.09695	0.5
149.99615	3.4
150.03273	0.9
150.05579	0.8
150.06825	0.5
151.00406	12.1
151.04016	1.8
151.07602	0.6
152.01010	0.5
152.07191	28.1
153.07489	1.7
161.02402	0.5
161.04565	1.9
161.05946	0.6
161.09695	2.0
162.06873	2.0
163.00281	0.5
163.04074	0.7
163.11310	14.6
164.01170	0.6
164.11636	0.9
165.01949	3.9
165.12901	2.7
168.00650	6.9
169.01471	2.2
171.10284	4.6
175.04088	0.7
177.01941	2.1
177.09232	1.4
179.05643	1.7
179.10818	0.7
180.06665	0.6
181.12379	4.0
182.65433	0.5
185.11839	2.6
186.05666	0.6
187.04041	0.7
187.09811	0.7
189.09221	2.0
191.07140	0.9
191.10736	1.5
197.11996	0.6
199.13440	0.5
201.11288	0.9
205.05125	0.6
205.08592	0.7
207.10278	50.6
208.10583	3.6
209.11839	100.0
210.12144	6.2
211.13330	0.7
217.12401	0.5
219.10190	0.6
221.11823	0.5
225.11340	32.2
226.11678	2.8
227.12889	13.7
228.13145	1.0
231.10262	0.7
235.08333	3.9
235.13576	0.9
237.10394	1.5
243.12477	0.5
245.11859	0.7
247.13246	1.0
249.06610	0.7
249.10745	1.6
250.07556	2.9
251.08258	0.9
253.09297	9.6
255.02892	0.8
259.05933	0.6
263.08258	1.6
263.12915	1.2
264.08890	0.6
265.09784	5.7
265.14453	1.0
267.11139	0.5
271.06097	25.5
272.06384	3.2
276.08972	1.1
277.09784	3.7
278.07034	3.7
287.05576	0.7
289.07181	1.1
291.07803	1.9
293.09335	21.3
294.09546	2.7
299.15088	1.0
305.09360	7.5
306.09714	1.5
307.10831	0.6
325.11859	0.6
337.08389	1.4
354.12524	0.7
355.12857	0.7
355.23117	0.5
370.15662	0.8
373.24072	1.4
382.11786	0.6
383.12640	0.7
398.15213	2.0
399.16489	0.9
399.21780	5.0
400.22464	0.6
407.24564	0.7
410.15643	1.0
411.15497	0.6
417.22742	4.6
418.23581	0.6
423.07346	1.7
428.16220	1.2
429.16931	1.4
430.17941	3.4
431.18753	0.5
435.24600	0.5
443.19388	3.4
445.20911	0.7
447.34860	1.1
451.06195	0.5
457.16663	0.7
458.17233	10.8
459.17892	1.9
461.20282	8.3
462.20657	1.2
472.18729	0.9
474.16788	1.0
484.15076	0.6
485.20712	0.5
490.20111	2.8
491.33575	2.9
502.16162	22.3
503.16364	4.0
504.21585	1.5
505.22009	0.9
509.25702	3.1
509.34799	1.1
516.18115	0.5
517.18445	8.6
517.25757	0.7
518.19348	1.5
519.24341	0.5
534.18799	6.4
535.19263	0.9
548.20569	0.8
549.21149	3.5
550.21417	0.8
563.23077	7.4
564.23535	1.7
595.25549	3.8
596.26331	0.6
607.21924	3.0
608.22430	0.8
609.29053	0.7
619.22888	0.5
625.32794	0.7
627.29785	1.6
635.30823	10.0
635.40405	0.5
636.31445	2.9
639.24799	26.7
640.25165	6.6
653.31848	13.5
654.32019	3.6
671.32874	37.2
672.33618	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	671.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.8
59.01378	25.8
67.01878	0.7
68.99815	0.9
69.03458	1.7
69.62801	2.0
69.63227	1.7
71.01385	13.7
72.99303	4.2
73.02938	1.9
75.00880	19.7
83.01385	1.5
85.02955	12.4
87.00883	5.2
87.15035	0.4
89.02454	4.0
93.03465	0.8
95.01373	1.9
97.02990	0.9
99.00896	8.1
101.02478	2.5
103.00367	1.0
111.00899	1.3
113.02460	7.8
115.00375	1.8
117.01922	0.7
121.02984	4.2
125.02389	0.6
129.01965	8.8
139.11304	9.6
140.11668	0.6
141.01913	1.0
150.29950	0.5
155.10811	4.2
157.01465	1.2
159.03046	2.2
159.72226	0.4
163.11307	0.7
175.02464	1.0
177.04056	15.7
178.04370	1.0
181.12347	5.7
183.10284	10.1
195.05148	5.7
195.30331	0.4
199.09756	2.6
199.13403	0.8
207.10162	0.5
225.11293	4.3
231.05074	1.1
237.04083	0.5
237.06259	0.6
243.12369	3.5
249.06160	7.5
267.07089	0.6
282.49164	0.5
299.14847	0.6
317.16013	2.0
433.17017	2.3
434.16986	0.7
475.18250	1.9
493.19174	10.6
494.19656	1.1
495.20639	0.6
509.23621	0.5
595.23120	0.7
609.23724	0.5
653.23132	12.2
654.22955	2.1
657.19653	0.6
671.24084	100.0
672.24438	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	669.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01379	4.7
61.98827	39.0
65.00327	1.2
69.03461	0.6
71.01380	3.9
71.59091	0.8
73.02934	1.2
78.95898	0.9
79.71053	0.4
83.01393	1.7
83.05025	0.6
85.02958	1.9
87.00917	0.8
87.04519	0.5
88.98801	2.8
89.02451	2.1
93.03483	1.2
96.96053	0.5
97.02950	1.0
97.06640	0.5
99.04514	0.7
101.02465	2.0
107.01414	1.8
107.05032	0.7
108.02212	0.9
109.02974	3.0
109.06647	0.5
111.04602	0.5
113.02461	1.5
113.73103	0.5
116.92881	1.8
117.03477	3.4
119.03517	0.5
119.05035	4.9
121.02951	0.8
122.03747	1.0
123.04543	3.6
123.08195	0.7
124.01698	1.0
125.02502	3.5
125.09733	1.9
135.04526	2.7
135.08173	1.3
137.02443	3.4
137.06085	0.7
139.04045	1.0
145.02968	13.7
146.03365	1.0
149.02513	0.8
149.06113	2.1
149.99583	1.0
150.06877	42.8
151.00386	6.2
151.04065	1.9
151.07301	1.9
153.01979	1.7
161.02446	0.8
161.04645	0.6
161.09782	1.4
162.03198	0.8
162.06844	0.6
163.04031	3.6
163.07683	6.7
163.11311	0.7
164.08440	11.0
165.01938	3.0
165.09097	0.7
167.03496	0.5
168.00700	1.7
169.01399	0.6
171.10287	4.7
177.01961	1.0
177.05568	0.8
177.09186	1.1
178.10017	0.9
179.03436	0.5
179.10789	24.0
180.11070	0.9
187.04056	0.5
193.08694	0.6
195.13748	0.6
199.09747	0.5
203.07132	0.9
205.05147	1.0
207.10384	0.8
209.11826	3.9
211.13335	0.5
223.13420	2.1
225.11470	0.6
227.12997	0.7
253.09311	0.8
253.14581	0.4
271.06125	6.8
272.06354	0.8
285.03922	0.5
287.05658	3.7
301.07187	0.8
320.19925	0.8
327.21762	19.5
328.22003	2.3
335.22519	0.7
354.54605	0.5
357.26566	2.7
363.21616	0.6
364.22589	1.6
373.25903	0.7
397.05911	0.6
427.31323	0.6
489.23141	0.8
489.32330	4.6
490.32813	0.9
492.31277	1.3
506.32373	4.4
507.24115	3.4
507.33191	28.5
508.33469	5.7
521.34393	1.2
651.30865	0.7
669.38849	100.0
670.39166	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	669.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82942	0.4
57.03436	0.6
59.01373	4.4
60.99311	0.6
61.98827	55.9
63.99252	0.6
65.00310	2.2
68.95396	0.5
70.59968	1.3
71.01385	3.9
71.05006	0.4
72.09766	0.5
72.99310	0.9
73.02960	1.4
75.00884	0.6
78.95899	0.9
83.01399	2.1
83.05025	0.6
85.02969	1.8
86.54156	0.4
87.00906	1.0
88.18320	0.4
88.98820	4.2
89.02449	2.1
93.03468	1.5
93.20786	0.5
95.05051	0.9
96.96071	0.4
97.02974	1.4
97.06606	1.0
101.02455	3.0
107.01414	3.2
107.05116	0.9
108.02194	1.8
109.02980	3.2
109.06578	1.0
111.04572	0.5
111.08201	0.4
113.02473	1.6
116.92863	1.0
117.03488	1.6
119.05050	2.2
120.05447	0.6
121.02991	1.0
122.03765	1.2
123.00906	0.7
123.04556	3.4
123.08165	1.4
124.01723	1.1
125.02462	4.7
125.09771	2.0
126.89117	0.4
132.64133	0.4
133.02974	0.6
134.03738	0.5
135.04541	8.0
135.08177	1.0
136.05312	0.9
137.02444	3.5
137.09697	0.7
139.03986	1.0
141.09227	0.6
145.02960	5.3
146.03300	1.2
148.05327	0.9
149.02472	1.5
149.06099	3.0
149.99632	1.7
150.06874	53.1
151.00381	12.5
151.04025	1.8
151.07216	2.3
152.01039	1.0
153.01985	1.1
153.05627	0.8
155.10797	1.2
159.04446	0.5
160.01692	0.5
161.02487	1.6
161.04587	0.7
161.09712	1.0
162.06837	1.1
163.04033	1.9
163.07661	9.0
163.11288	0.8
164.08435	13.6
164.09763	0.9
165.01917	3.1
165.05559	0.6
165.08971	0.5
165.14288	0.5
168.00710	2.7
169.01360	0.6
171.10304	4.9
175.00371	0.9
175.04105	0.9
176.08369	0.6
177.01965	1.3
177.05643	0.5
177.09207	0.9
178.10098	1.7
178.99994	0.6
179.03542	0.9
179.05676	0.6
179.10782	26.9
180.11176	1.1
185.11801	0.9
187.04086	0.8
193.08702	0.8
199.09839	0.5
203.07236	1.1
205.05119	1.4
207.10309	2.0
209.11848	4.8
210.12273	0.5
211.13518	0.5
215.07172	0.5
223.09633	0.8
223.13422	1.8
225.11333	1.6
227.12900	1.2
253.09229	1.5
268.56305	0.5
271.06082	2.7
285.04034	0.5
287.05588	10.2
288.06073	1.3
289.07291	0.7
302.19156	0.5
325.23996	0.6
327.21753	19.5
327.25708	0.9
328.22250	2.5
335.22409	0.6
351.21396	0.5
355.25137	1.0
357.26428	0.6
364.22635	1.4
373.26010	1.4
387.27533	0.6
391.49655	0.4
433.28482	0.5
461.32999	0.6
477.18716	1.1
489.18304	0.9
489.32065	5.6
492.30960	1.7
506.32239	4.7
507.24350	4.0
507.33179	31.6
508.33569	7.6
549.34119	1.0
554.81659	0.5
651.30359	0.9
669.30048	7.9
669.38940	100.0
670.30530	2.0
670.39258	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.2
61.98531	0.5
61.98827	7.2
62.14072	0.3
66.34592	0.3
71.01392	0.5
71.26881	0.7
71.27227	0.3
78.31077	0.3
78.78423	0.3
78.95908	7.0
79.12444	0.3
89.92606	0.5
96.96966	1.1
97.00354	0.3
97.06584	0.3
101.02423	0.4
103.99583	0.3
115.80782	0.3
117.03475	20.3
118.03805	1.0
119.05020	3.0
121.02989	0.5
145.02965	100.0
146.03291	5.5
152.99588	4.8
163.04013	3.4
163.11209	0.4
179.10930	0.3
181.07202	1.8
197.11832	1.2
205.12325	0.5
209.11844	0.4
223.13406	2.7
225.11299	0.4
254.99590	0.4
291.19507	0.4
309.20828	0.5
359.12558	1.2
425.30289	0.4
427.28555	0.9
435.41425	0.3
445.19992	2.2
455.31583	0.6
463.21109	0.8
469.33203	1.1
487.34952	5.9
488.34506	1.2
513.31390	0.6
607.34729	0.5
633.38025	92.0
634.38361	23.3
669.24469	0.4
669.34058	3.2
670.34155	0.7
699.13660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3858
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03440	0.8
59.01379	4.7
61.98827	39.0
65.00327	1.2
69.03461	0.6
71.01380	3.9
71.59091	0.8
73.02934	1.2
78.95898	0.9
79.71053	0.4
83.01393	1.7
83.05025	0.6
85.02958	1.9
87.00917	0.8
87.04519	0.5
88.98801	2.8
89.02451	2.1
93.03483	1.2
96.96053	0.5
97.02950	1.0
97.06640	0.5
99.04514	0.7
101.02465	2.0
107.01414	1.8
107.05032	0.7
108.02212	0.9
109.02974	3.0
109.06647	0.5
111.04602	0.5
113.02461	1.5
113.73103	0.5
116.92881	1.8
117.03477	3.4
119.03517	0.5
119.05035	4.9
121.02951	0.8
122.03747	1.0
123.04543	3.6
123.08195	0.7
124.01698	1.0
125.02502	3.5
125.09733	1.9
135.04526	2.7
135.08173	1.3
137.02443	3.4
137.06085	0.7
139.04045	1.0
145.02968	13.7
146.03365	1.0
149.02513	0.8
149.06113	2.1
149.99583	1.0
150.06877	42.8
151.00386	6.2
151.04065	1.9
151.07301	1.9
153.01979	1.7
161.02446	0.8
161.04645	0.6
161.09782	1.4
162.03198	0.8
162.06844	0.6
163.04031	3.6
163.07683	6.7
163.11311	0.7
164.08440	11.0
165.01938	3.0
165.09097	0.7
167.03496	0.5
168.00700	1.7
169.01399	0.6
171.10287	4.7
177.01961	1.0
177.05568	0.8
177.09186	1.1
178.10017	0.9
179.03436	0.5
179.10789	24.0
180.11070	0.9
187.04056	0.5
193.08694	0.6
195.13748	0.6
199.09747	0.5
203.07132	0.9
205.05147	1.0
207.10384	0.8
209.11826	3.9
211.13335	0.5
223.13420	2.1
225.11470	0.6
227.12997	0.7
253.09311	0.8
253.14581	0.4
271.06125	6.8
272.06354	0.8
285.03922	0.5
287.05658	3.7
301.07187	0.8
320.19925	0.8
327.21762	19.5
328.22003	2.3
335.22519	0.7
354.54605	0.5
357.26566	2.7
363.21616	0.6
364.22589	1.6
373.25903	0.7
397.05911	0.6
427.31323	0.6
489.23141	0.8
489.32330	4.6
490.32813	0.9
492.31277	1.3
506.32373	4.4
507.24115	3.4
507.33191	28.5
508.33469	5.7
521.34393	1.2
651.30865	0.7
669.38849	100.0
670.39166	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	669.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24062	0.4
50.32403	0.4
52.36778	0.4
54.26754	0.4
57.03442	1.2
59.01378	9.1
61.98831	4.7
69.03460	1.9
69.65958	0.4
71.01383	6.4
71.05038	0.9
71.07562	0.4
71.63032	0.6
72.99313	0.6
73.02953	1.4
78.95910	0.8
80.02647	0.4
83.01403	1.1
83.05035	0.7
85.02991	2.0
87.00884	1.5
89.02446	3.6
93.03474	0.7
95.05070	0.8
97.02943	0.5
97.06605	0.8
101.02470	4.7
109.06631	1.1
111.08151	1.4
113.02454	2.6
119.03505	1.0
121.03002	0.6
125.02451	0.6
126.91851	0.4
143.03537	0.6
152.99629	0.8
153.09151	0.5
161.04573	2.1
162.31622	0.5
163.11360	0.6
165.12854	8.6
166.13171	0.7
167.10791	2.1
172.07588	0.4
177.12808	0.5
179.05562	0.6
179.10803	1.0
179.14442	2.7
181.07225	0.5
181.12326	0.5
183.13910	100.0
184.14241	6.7
195.13913	6.6
196.14265	0.4
199.13435	0.5
201.81601	0.4
205.12321	7.0
205.14047	0.6
206.12625	0.9
207.10269	0.7
209.11847	7.2
210.12115	0.7
211.13467	0.7
214.40158	0.5
223.13391	43.8
224.13794	2.7
225.11339	0.5
227.12868	7.3
235.08263	3.3
253.09306	5.3
285.67032	0.4
325.20239	0.5
361.27295	0.8
389.27094	0.6
406.03815	0.4
407.28152	1.0
419.22812	1.2
440.73779	0.5
445.20786	2.3
459.22446	2.7
463.21838	5.3
464.22055	0.8
487.34448	1.0
489.34659	0.5
651.31885	0.4
669.34973	94.3
670.35339	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	669.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03453	0.5
57.48826	0.2
58.00607	0.2
59.01376	5.0
59.94994	0.2
61.98832	1.1
64.11214	0.1
69.03455	2.1
71.01383	4.2
71.05007	0.9
72.99297	0.2
73.02961	0.7
80.02679	1.3
81.03467	1.3
83.01413	0.6
83.05035	4.6
84.02194	0.7
85.02955	1.1
85.06595	0.5
87.00873	0.8
89.02456	2.5
91.65363	0.2
93.03487	0.5
95.01415	0.5
95.05026	0.9
97.02988	0.3
97.06628	0.3
99.00917	0.3
100.51698	0.2
101.02460	3.6
101.03095	0.2
106.04156	0.1
109.06621	0.9
111.08164	0.3
113.02470	1.9
119.03513	0.6
123.08176	0.2
125.06128	0.4
125.09742	0.7
126.46172	0.2
131.03493	0.2
135.08154	0.6
135.11852	0.3
137.09755	0.2
141.09241	0.2
143.03531	0.4
145.05119	0.4
149.09732	0.6
149.43463	0.2
157.98494	0.2
161.04617	1.6
161.09804	0.2
161.13373	0.3
163.11310	3.2
164.11751	0.2
165.12871	2.3
167.10794	3.2
168.11064	0.2
171.10298	1.4
177.12825	0.5
179.05637	0.6
179.10849	1.3
179.14429	3.6
180.14825	0.2
181.12367	0.3
191.10744	0.8
193.12498	0.2
195.13919	9.2
196.14258	0.7
205.12347	10.2
206.12704	0.8
207.10263	0.2
209.11838	94.0
210.12173	6.6
217.11238	0.2
223.13394	100.0
224.13748	7.4
224.15556	0.1
227.12881	16.1
228.13260	1.3
235.08253	4.4
253.09276	10.5
254.09584	0.6
258.08646	0.2
261.14948	2.2
317.46185	0.2
397.23819	0.3
415.24823	0.3
433.25842	0.3
441.21255	1.0
445.20743	1.1
446.20914	0.2
459.22351	11.6
460.22635	1.7
486.33011	0.3
487.33142	0.5
608.08539	0.2
633.32611	1.1
634.33240	0.3
651.33746	1.6
652.34143	0.3
669.33777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84781	0.2
55.39744	0.3
57.03447	0.4
59.01386	1.2
60.99294	0.3
61.98833	10.0
68.99810	0.3
69.03454	0.5
69.47894	2.1
69.48302	0.5
71.01382	2.9
72.65379	0.3
73.02959	1.1
81.03447	1.6
83.01389	0.6
85.02961	2.7
88.98795	0.8
93.03481	1.1
95.01389	2.3
97.06590	0.4
99.00909	0.5
99.92627	0.8
100.42139	0.2
101.02464	1.2
107.05058	1.0
108.02188	51.4
109.02978	38.6
109.03761	0.4
110.03329	1.1
113.02475	0.9
116.92876	7.8
117.92900	0.5
119.05021	0.6
121.02980	1.2
122.03762	0.4
123.00931	2.1
123.04527	1.1
123.08148	0.5
124.53925	0.3
125.02432	1.3
125.09738	0.8
126.42649	0.3
134.03702	0.2
135.00883	0.6
135.04524	1.0
137.02452	1.3
139.11310	0.4
145.02968	0.4
149.02448	0.3
149.06094	0.4
151.00412	0.8
151.04030	1.4
152.01173	60.4
153.01967	21.0
154.02267	0.8
155.10779	0.3
161.02504	0.5
161.04643	0.3
163.03992	1.3
165.01967	1.4
171.10310	2.4
179.03539	0.4
185.11827	0.9
209.11832	0.4
213.11140	0.3
215.12875	0.5
271.06055	0.8
315.07196	0.4
323.22507	0.4
341.23282	2.5
353.23456	0.7
355.25034	0.4
371.24402	17.9
372.24753	2.3
373.25940	3.1
374.26111	0.3
375.27496	0.7
463.30502	0.6
669.31335	100.0
670.31659	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	669.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62901	0.5
52.17666	0.5
57.03446	0.8
59.01383	5.6
61.98828	26.6
63.02391	0.8
65.00322	16.5
69.03458	0.6
71.01389	5.3
71.58835	0.7
72.99316	0.9
73.02955	1.1
73.32396	0.6
75.00874	0.6
80.96953	0.5
81.03452	1.0
83.01392	7.5
83.05041	0.6
83.46100	0.5
85.02950	1.7
87.00885	1.0
88.98830	2.9
89.02453	2.3
89.57888	0.6
93.03481	1.6
95.01396	1.0
95.05035	0.9
97.02970	1.8
101.02458	2.5
107.01403	22.2
107.05016	2.6
108.02232	1.2
109.02966	7.3
111.04571	0.6
113.02481	1.4
116.92879	1.4
117.03462	2.0
119.03498	0.6
119.05018	3.2
121.02950	1.9
122.03750	1.6
123.00858	0.6
123.04542	6.2
123.08162	0.7
124.01685	1.6
125.02465	9.8
125.09797	0.6
131.01379	1.6
134.03766	1.3
135.04538	64.4
136.04871	2.9
137.02472	6.0
137.06102	0.8
139.04027	1.4
145.02939	6.2
148.05238	0.6
149.02475	2.2
149.06105	0.9
149.99600	1.3
150.03233	0.7
150.06876	6.8
151.00383	94.2
151.03915	4.5
152.00670	4.5
152.99576	0.8
153.01978	3.1
153.05580	0.7
155.10796	1.3
159.04518	1.4
161.02489	2.6
161.04642	0.8
161.06090	1.1
163.03993	3.0
163.07689	2.1
164.01138	1.1
164.08467	1.3
165.01935	6.2
165.05531	0.7
167.03491	0.6
168.00690	3.0
169.01433	4.0
171.10347	0.9
173.06056	0.8
174.40506	0.5
175.00386	6.4
175.03902	1.0
177.01973	2.3
177.05667	0.8
179.03581	0.6
179.10770	4.0
185.11757	0.6
191.03624	0.8
191.05597	0.7
193.01430	1.3
197.11867	0.7
202.06219	0.6
203.07103	1.2
205.01398	0.6
205.05101	2.0
207.10272	1.1
209.11845	5.6
215.07191	1.2
223.09808	0.7
223.13304	2.9
225.11327	0.7
227.12869	0.9
229.05064	0.6
253.09325	2.6
271.06027	5.5
285.03867	0.6
287.05597	100.0
288.05936	10.1
289.07260	0.8
301.07248	1.5
311.05875	0.9
327.21783	2.4
356.25507	0.7
357.26266	1.0
373.25833	2.4
383.18539	0.9
489.22806	3.2
489.31754	1.2
490.23166	0.9
506.32693	2.7
507.13141	0.7
507.23697	7.2
507.33163	4.6
508.24295	1.9
517.24158	1.3
533.12787	2.2
551.83630	0.6
620.21167	0.6
668.39081	0.6
669.17719	1.7
669.29486	17.1
669.38513	20.6
670.18951	1.1
670.28510	4.3
670.40771	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	669.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.1
59.01381	1.0
60.99306	16.0
61.98830	5.8
61.99305	0.1
65.00319	0.2
68.99836	0.1
69.03455	0.1
69.24664	0.3
69.25084	0.8
71.01383	1.1
72.99322	0.3
73.02950	0.4
75.00889	0.4
81.03461	0.3
83.01407	0.3
85.02953	0.9
87.00877	0.1
87.04560	0.2
88.98811	100.0
89.02452	0.3
89.99131	1.1
93.03481	0.6
95.01404	0.5
97.02971	0.3
97.06626	0.1
99.00921	0.2
101.02475	0.4
107.01393	0.4
107.05019	0.8
108.02184	7.2
109.02978	5.5
111.04572	0.2
113.02463	0.5
116.92879	0.3
117.03441	0.2
119.03622	0.1
119.05040	1.0
120.05379	0.1
121.02969	0.4
122.03773	0.2
123.00874	0.4
123.04550	1.2
124.01672	0.2
125.02428	0.6
125.09766	0.2
131.05043	0.2
135.00966	0.1
135.04538	0.6
137.02457	1.3
137.09801	0.1
139.11285	0.1
145.02954	0.6
149.02486	0.2
149.06104	0.4
151.00404	1.5
151.04073	0.6
152.01169	8.9
153.01965	3.1
153.05569	0.6
161.02432	0.3
161.04539	0.3
161.05923	0.2
163.04019	0.5
165.01913	0.5
167.03568	0.2
168.00700	0.2
171.10287	0.3
172.64819	0.1
177.01912	0.3
179.03479	0.2
179.10802	0.1
185.11847	0.4
187.04039	0.2
193.05116	0.1
205.04982	0.2
209.11938	0.2
214.12019	0.2
225.11446	0.1
249.05980	0.1
257.21191	0.1
271.06085	3.1
272.06418	0.4
284.88400	0.1
285.03995	0.3
287.05557	0.3
289.06927	0.1
303.05203	0.1
307.08249	0.2
341.23364	0.4
353.23361	0.2
355.24722	0.2
357.26392	0.1
371.19849	0.3
371.24374	3.3
372.24768	0.3
373.26007	2.1
374.26419	0.2
375.27344	0.4
381.28668	0.1
382.72928	0.1
419.26395	0.3
489.22610	0.1
507.23383	0.1
507.33185	0.2
579.15161	0.8
580.14966	0.1
609.35547	0.1
624.37506	0.1
625.37964	0.2
633.25146	0.3
633.34851	0.1
668.40082	0.3
669.31201	18.1
670.31506	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	668.184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63189	0.1
57.03435	0.2
59.01375	1.2
61.98829	100.0
62.98540	0.2
65.00307	0.1
71.01381	1.0
71.61381	0.1
72.99324	0.1
73.02936	0.3
78.95915	0.2
83.01395	0.2
85.02960	0.4
88.98795	0.7
89.02446	0.4
93.03487	0.6
95.01404	0.1
95.72327	0.1
97.02964	0.3
101.02467	0.6
102.96228	0.1
107.01379	0.2
108.02188	0.2
109.02975	0.7
109.06632	0.2
113.02457	0.4
116.92854	0.3
117.03455	1.0
119.03552	0.2
119.05045	0.9
120.05411	0.2
121.03000	0.3
122.03780	0.2
123.04544	0.9
124.01688	0.3
125.02487	1.0
135.04572	0.4
137.02455	1.4
137.09776	0.2
140.06656	0.1
145.02963	2.8
146.03328	0.9
147.04594	0.2
149.02495	0.2
149.99606	0.4
150.03284	0.1
150.06877	3.2
151.00365	0.9
151.04037	0.3
152.01195	0.3
152.99635	0.2
155.10847	0.3
160.01740	0.2
161.02446	0.3
161.09773	0.1
163.04045	1.1
163.07681	0.6
164.01218	0.1
164.04370	0.2
164.08388	0.8
165.01967	0.6
168.00645	0.3
171.10327	0.2
175.04007	0.2
177.01929	0.2
179.10803	2.0
192.08040	0.1
193.08827	0.3
197.11853	0.3
205.05026	0.2
207.10286	0.2
209.11792	0.8
223.10004	0.1
223.13358	0.2
225.11354	0.2
253.09343	0.6
259.06018	0.1
271.06021	1.1
282.33014	0.2
287.05643	0.3
289.07559	0.2
301.07120	0.2
327.21774	1.8
350.59155	0.2
355.25162	0.2
357.26596	0.3
433.28217	0.2
462.28049	0.2
489.22562	0.2
489.32532	0.5
492.31107	0.2
499.19382	0.2
506.32690	0.5
507.23907	0.7
507.33426	2.1
625.29413	0.2
667.39258	0.9
668.27747	0.2
668.38696	2.1
669.29425	2.0
669.38861	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	668.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21785	0.1
55.60268	0.1
56.43997	0.1
59.01385	0.2
59.56925	0.1
61.98829	100.0
62.98530	0.3
71.13597	0.1
71.52055	0.2
71.89379	0.2
76.22677	0.1
78.95905	0.3
127.02988	0.1
145.53282	0.1
171.10329	0.5
211.13515	0.4
277.21863	0.5
278.22183	0.3
449.96552	0.2
529.22467	1.0
530.22974	0.2
541.23688	0.1
578.83630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.1
59.20673	0.1
60.99297	0.1
61.98827	100.0
62.98529	0.3
62.99255	0.1
69.62775	0.7
71.01389	0.2
71.40976	0.1
85.02994	0.1
88.98819	0.6
93.03442	0.1
98.20616	0.2
103.41473	0.1
116.92803	0.1
117.03443	0.1
129.01935	0.1
129.68271	0.1
141.66408	0.1
150.42793	0.1
151.00349	0.2
159.04559	0.1
161.02454	0.1
169.06647	0.1
183.04539	0.2
187.03973	0.2
211.04001	0.3
227.03494	0.2
255.02966	4.5
256.03418	0.6
283.02463	14.7
284.02881	1.6
285.04013	2.4
285.07050	0.2
286.04395	0.2
430.09000	3.8
431.09662	1.3
459.09369	0.5
605.15088	15.0
606.06207	0.2
606.15466	3.1
668.25360	0.2
669.34100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09032	0.1
59.07190	0.1
61.98829	100.0
62.98532	0.2
85.02955	0.1
93.03479	0.2
109.03001	0.1
120.11479	0.1
137.02553	0.2
141.36958	0.1
141.80264	0.1
145.03140	0.1
146.69087	0.1
151.00354	0.1
153.03900	0.1
169.06664	0.3
171.04565	0.1
183.04579	0.2
185.06142	0.1
187.03992	0.1
211.04048	0.2
213.05627	0.3
214.02754	0.1
227.03580	0.4
229.05067	0.2
230.41766	0.1
243.03232	0.1
255.02966	3.1
256.03589	0.3
257.04666	0.3
282.97849	0.1
283.02475	6.3
284.03006	0.7
285.04034	10.2
286.04355	0.8
430.09085	1.0
431.09799	7.5
432.10269	0.8
449.55042	0.1
459.09229	0.1
507.19128	0.1
605.15118	8.5
606.15363	1.5
667.34155	0.1
668.35492	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	668.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20135	0.0
58.98606	0.1
59.01370	0.2
59.27022	0.1
61.98828	100.0
62.98539	0.2
62.99261	0.1
66.97273	0.1
69.38766	0.3
69.39182	0.1
71.01392	0.2
72.99348	0.1
73.02935	0.1
75.00897	0.1
83.01412	0.1
85.02956	0.1
87.04554	0.1
88.98820	0.1
89.02444	0.1
93.03469	0.3
95.84497	0.0
99.00886	0.0
101.02477	0.1
107.01378	0.1
108.02209	0.1
109.02975	0.1
116.92877	0.1
117.03513	0.1
119.05042	0.2
121.02994	0.1
123.04506	0.0
125.02528	0.1
125.09732	0.1
137.02454	0.3
145.02985	0.1
149.99559	0.1
150.56789	0.1
151.00381	0.1
152.01126	0.1
153.01947	0.0
154.04288	0.1
155.05017	0.1
155.10851	0.1
157.06712	0.1
159.04533	0.1
161.02452	0.1
161.06046	0.1
163.04047	0.2
165.02054	0.1
168.96156	0.1
169.06615	0.3
173.02472	0.1
173.05974	0.1
179.10933	0.1
181.07071	0.1
182.03754	0.1
183.04469	0.1
185.06126	0.2
187.04030	0.2
189.05630	0.2
195.04732	0.0
199.04041	0.1
199.09813	0.1
201.11293	0.2
211.04045	0.1
213.05547	0.3
214.02626	0.1
215.03436	0.1
215.12794	0.1
227.03531	0.4
229.05103	0.2
239.03487	0.1
243.03033	0.2
243.12390	0.1
255.02963	2.9
256.03394	0.4
257.04602	0.3
283.02469	6.0
284.02954	1.0
285.04028	10.9
286.04337	1.1
313.11435	0.1
367.13922	0.1
373.25870	0.3
430.08987	0.9
430.14392	0.1
431.09805	6.8
432.10046	0.9
459.09241	0.2
479.21082	0.1
507.18677	0.2
605.15106	7.2
606.15411	1.5
667.35120	0.1
668.35358	0.2
669.24860	0.2
669.36865	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	667.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.0
56.87877	0.5
57.03452	1.8
58.00595	0.6
59.01377	19.3
61.98830	10.2
63.96623	0.5
69.03458	4.6
70.07874	0.5
71.01382	11.3
71.05035	0.9
71.63213	0.6
71.63614	0.6
72.99329	1.2
73.02958	2.2
75.00894	0.7
78.95908	0.9
80.02679	1.1
81.03458	3.7
83.01405	2.3
83.05030	4.3
85.02960	5.0
87.00897	1.9
88.98839	0.9
89.02446	6.9
93.03472	1.9
95.01415	1.4
95.05057	2.0
97.02963	9.1
97.06624	1.4
99.00891	2.6
101.02450	9.4
106.04285	0.9
107.05076	1.0
109.06603	37.9
110.03761	1.8
110.06938	1.6
111.04543	1.0
111.08152	0.7
113.02454	5.9
117.03445	0.6
119.03515	1.9
119.05045	1.9
120.76676	0.5
121.02963	3.5
121.06617	2.8
123.04520	1.5
123.08172	0.8
125.02456	2.5
125.06180	0.7
125.09774	2.5
129.01964	0.7
131.03525	0.8
133.02980	1.2
135.04553	0.9
135.08183	5.6
136.01332	0.6
136.05322	1.6
136.08504	0.5
137.02457	2.0
137.09763	0.6
139.23557	0.5
142.02733	3.4
143.03517	1.5
145.02948	1.6
145.05118	0.8
149.09740	0.7
150.79997	0.5
151.00340	1.0
152.99628	0.7
161.02443	2.2
161.04573	3.4
161.09729	3.4
163.11304	22.4
164.11673	0.9
165.01938	0.8
165.09254	1.0
167.10815	3.0
171.10295	3.2
177.01941	0.6
177.12851	0.9
179.05626	1.2
179.10823	2.7
179.14429	4.0
181.05035	0.6
181.12352	6.0
185.11870	5.6
187.07532	0.7
189.09232	2.5
195.13899	8.6
201.11218	0.7
205.12366	7.4
206.12663	0.7
207.10269	100.0
208.10582	8.6
209.11855	4.6
217.12427	0.5
221.11783	1.5
223.13393	65.2
224.13795	5.3
225.11320	58.2
226.11681	5.0
233.15347	0.8
235.08212	5.4
235.13272	0.9
236.08371	0.6
239.12857	0.9
243.12251	0.9
253.09290	11.5
259.13351	1.1
261.14886	1.3
263.12759	1.0
271.06027	2.5
281.13992	1.0
287.16721	0.9
293.21124	0.6
299.15115	2.4
307.20068	0.5
323.23734	1.1
325.21707	0.9
341.06659	0.7
341.24826	1.0
351.23215	2.3
367.22501	0.8
369.20419	1.2
369.24432	1.5
377.21231	1.3
385.23828	2.8
386.24387	1.0
387.21487	1.0
395.22296	9.3
396.22531	2.1
403.24747	2.7
413.23318	17.5
414.23694	3.1
431.24323	7.8
432.24628	1.5
432.40176	0.7
443.19202	6.3
444.19153	0.7
459.22263	2.8
460.22577	0.8
461.20248	21.2
462.20490	2.8
487.33984	2.3
489.68695	0.6
503.34042	7.1
504.33951	1.2
505.27756	0.8
597.28918	0.7
605.29279	0.7
621.33215	2.9
623.31335	0.6
631.31158	5.2
632.31573	1.0
639.33826	0.8
649.32257	34.7
650.32513	10.0
667.33307	55.8
668.33936	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	667.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72904	0.2
54.95121	0.2
55.50899	0.2
59.01376	1.3
60.99303	16.5
61.98826	0.2
71.01384	0.9
71.56992	0.2
72.99316	0.3
73.02967	0.4
75.00876	0.8
82.77235	0.2
85.02950	0.8
86.23248	0.2
87.00886	0.3
88.98810	100.0
89.99143	1.0
93.03455	0.3
97.02988	0.2
99.00883	0.4
101.02464	0.4
103.00390	0.4
113.02460	0.4
155.10846	0.2
160.43102	0.2
161.02417	0.7
165.04071	0.4
177.04016	0.3
191.05638	0.8
255.03015	0.4
283.02408	0.8
284.02820	0.3
285.04016	1.4
430.08887	0.4
431.09518	0.6
549.21613	0.2
551.30115	0.3
552.20056	0.3
563.14301	0.3
577.15356	1.0
578.15912	0.3
623.21686	0.3
637.49634	0.2
663.89221	0.2
667.28821	0.9
687.95197	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03442	1.8
57.83350	0.8
58.00589	3.8
59.01376	95.7
60.01724	1.7
61.98829	20.2
69.03455	2.0
69.52454	1.1
69.52863	5.8
71.01385	59.3
72.01727	1.4
72.99306	5.4
73.02948	29.2
75.00879	5.8
78.95925	1.3
81.03465	1.1
83.01389	2.7
83.05057	1.2
85.02949	12.8
87.00884	4.5
87.04541	0.8
88.98816	2.8
89.02451	100.0
90.02771	1.3
93.03458	3.3
96.96033	1.9
96.96970	0.7
97.02958	3.1
98.95630	0.8
99.00893	33.3
99.04524	0.9
100.01204	0.9
101.02451	53.6
103.04026	10.8
107.67364	1.0
108.02193	2.8
109.02950	4.0
112.96120	1.0
113.02465	7.6
115.04044	1.0
116.92898	1.8
117.02006	0.8
117.03458	2.3
119.03535	8.3
119.05038	8.3
121.02979	0.9
123.04506	1.2
125.02457	21.1
126.02879	1.4
127.04065	2.5
129.05589	0.9
131.03528	18.9
135.04605	1.1
137.02457	7.7
137.09711	1.1
143.03523	5.7
145.02953	8.5
145.05090	3.4
146.03302	0.9
147.11787	1.4
149.04570	73.8
149.09720	1.9
150.04897	2.4
151.00394	2.5
151.04001	1.7
152.01154	2.7
153.01961	2.5
155.10799	2.2
161.04539	3.2
163.04135	5.3
163.06137	42.0
163.11208	0.9
164.06509	1.4
165.01920	0.8
165.12889	1.0
167.09492	1.4
167.10802	18.9
168.11076	1.3
173.04639	1.0
177.02014	1.3
177.05553	0.8
181.12399	1.3
187.09828	1.0
191.05617	17.4
191.10785	14.5
192.11195	1.3
199.09764	1.7
205.07217	1.7
209.11861	10.9
210.12202	2.3
211.07588	1.3
221.06653	1.2
221.11847	9.9
239.12836	2.2
247.08229	1.8
251.07709	15.4
252.08228	1.3
269.04462	1.0
271.06067	2.0
275.07742	10.8
285.04034	2.0
287.05658	1.4
293.08759	11.1
299.14908	2.2
303.05121	2.6
307.08267	2.1
313.16550	1.5
339.64798	0.9
341.16318	1.4
355.12408	3.2
357.26691	1.2
373.26212	1.0
375.27536	1.4
389.29025	0.9
425.18127	1.6
439.14569	14.8
440.14993	1.6
457.15591	12.8
507.18124	1.0
667.29700	4.5
667.38702	5.4
686.26056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50282	0.2
57.03445	0.3
59.01374	1.2
60.99305	15.2
61.98819	0.2
66.85227	0.2
69.71545	1.2
71.01378	1.1
73.02939	0.3
75.00890	0.8
75.01242	0.1
85.02965	0.9
85.03384	0.2
87.00871	0.3
88.98811	100.0
89.02438	0.4
89.99166	1.1
98.20580	0.3
99.00888	0.3
101.02438	0.4
103.00375	0.6
113.02442	0.5
124.23367	0.2
129.01947	0.4
133.03000	0.3
137.02466	0.3
151.04063	0.2
155.10866	0.3
156.87437	0.1
161.02472	0.7
165.04124	0.3
165.05515	0.2
177.04083	0.4
179.00169	0.3
179.28481	0.2
181.12355	0.2
191.02055	0.3
191.05632	1.0
255.03035	0.4
279.37582	0.2
283.02335	1.0
285.04044	1.2
287.36359	0.2
321.15482	0.2
431.09760	0.5
475.18073	0.2
505.16187	0.2
563.14508	0.2
577.15710	1.0
623.21625	0.4
667.28357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37497	0.5
55.01859	1.7
57.03442	5.7
57.80355	0.6
58.00587	1.4
58.53665	0.5
59.01377	21.2
61.98805	2.3
67.01860	1.8
68.99793	2.3
69.03461	3.6
71.01383	26.8
71.05006	1.7
71.56965	0.6
72.49094	0.5
72.99308	7.3
73.02953	4.7
75.00874	21.3
81.03451	0.7
83.01413	3.4
83.01803	0.7
83.05004	0.8
84.02148	1.1
85.02953	27.3
86.03254	0.9
87.00417	0.8
87.00883	10.7
87.04498	1.2
89.02450	6.7
93.03424	1.8
95.01402	4.8
95.05000	0.6
95.76054	0.6
96.96022	0.7
97.02964	3.9
99.00886	10.7
99.04463	0.7
101.02448	5.9
103.00352	1.5
109.02924	1.6
111.00887	3.5
111.04505	1.0
113.02457	20.5
115.00340	1.6
115.04018	1.0
117.01888	2.2
117.03420	1.3
119.03529	1.0
119.05016	3.9
121.02954	0.8
123.04480	1.2
123.08121	0.6
125.02467	3.8
129.00999	0.6
129.01955	10.9
131.03496	0.9
133.02890	2.1
133.10239	0.9
135.04498	1.7
135.11813	5.4
137.02367	2.1
139.00307	1.0
139.03989	0.8
141.01894	2.1
143.08612	0.8
145.02974	3.6
151.03891	0.7
155.10692	2.3
157.01297	0.9
159.03030	3.1
159.08046	0.8
160.01622	0.6
161.01350	0.5
161.02472	7.2
161.04530	0.7
161.06058	0.7
161.09711	6.7
163.04083	3.1
165.03961	0.7
168.00533	1.2
169.51552	0.6
173.04453	0.8
175.02412	1.4
177.01772	1.0
177.04066	6.7
179.03395	0.6
179.07172	0.7
179.10786	23.6
180.11055	1.3
181.07132	1.2
191.05522	3.0
193.08696	0.8
195.05107	2.9
199.09720	0.7
205.08731	0.8
209.05078	0.6
209.06685	7.3
210.06793	0.6
219.06516	2.1
223.09770	1.5
231.04967	1.6
246.78899	0.6
249.03830	1.0
249.06133	13.3
250.06496	1.1
267.07202	5.4
278.42313	0.6
289.07138	1.2
303.70605	0.7
304.37030	0.6
306.53122	0.6
307.08084	0.8
307.18945	0.6
313.11246	0.8
341.06464	0.7
349.57977	0.6
399.35742	0.5
411.16254	1.4
429.17514	2.7
436.16165	0.6
455.15405	2.1
473.16739	7.6
474.16959	0.7
489.19055	1.9
503.33124	2.3
561.28387	0.7
576.19910	0.6
589.20844	1.1
615.18903	1.9
621.19861	0.8
629.16553	3.0
633.20459	36.3
634.20465	6.0
647.21643	3.4
648.21857	0.9
665.22858	100.0
666.23279	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	665.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65258	0.5
50.82889	0.5
55.01871	0.8
55.13187	0.5
57.03449	6.0
59.01376	9.7
67.01869	0.6
68.99808	1.1
69.03465	3.6
71.00992	1.1
71.01385	21.7
71.38476	1.2
72.99307	3.3
73.02951	1.7
75.00877	18.7
81.03481	0.6
83.01395	3.5
84.02174	0.9
85.02960	16.8
86.03291	0.6
87.00882	6.5
88.98817	0.6
89.02446	4.5
93.03470	17.8
94.03801	1.2
94.09975	0.6
95.01388	2.7
96.99305	2.3
97.02969	3.3
99.00890	8.6
101.02442	2.4
103.00384	0.6
108.02168	0.8
109.02936	1.9
111.00881	5.7
113.02480	3.0
115.00392	22.4
115.04034	0.8
116.00776	0.5
117.03458	2.0
119.03557	0.7
119.05027	8.3
120.05328	0.8
121.02148	1.0
121.02968	15.8
122.03363	0.6
123.04510	2.0
125.02451	2.2
129.01956	18.5
130.02293	0.8
130.04265	1.2
131.05081	3.4
133.02940	2.6
135.00810	0.7
135.04533	3.0
137.02443	1.1
139.00365	0.8
141.01924	4.0
143.05046	14.3
144.05411	0.6
145.02979	3.9
145.06619	3.9
147.04514	1.3
149.04590	1.3
151.04004	1.0
153.01936	1.0
157.01407	1.3
158.03711	0.6
159.03041	10.5
159.04456	1.8
161.02455	0.9
163.04016	7.1
165.05501	1.0
171.04539	3.1
173.04546	1.0
174.24736	0.5
175.02419	0.7
177.04063	25.2
178.04370	1.2
179.03525	0.6
179.05602	1.1
191.01959	5.0
191.05643	5.7
195.05147	6.8
209.06078	0.6
210.06909	4.6
211.07652	64.2
212.07977	5.8
219.08107	1.1
221.09679	1.1
222.06911	1.0
223.07620	4.7
226.06395	0.6
227.06921	0.7
235.07603	3.9
236.08069	0.6
237.04010	2.0
237.09190	13.3
238.04356	0.6
238.09526	1.8
239.10744	0.7
241.08658	1.1
249.06114	1.3
250.06409	1.6
253.08743	2.9
257.02972	1.3
263.07047	0.9
264.07739	0.8
265.08673	30.8
266.09048	3.5
275.04062	3.1
283.09933	0.6
291.42810	0.5
307.21616	0.6
309.04245	1.2
309.07678	14.1
310.07996	1.5
325.10449	0.8
327.08731	52.2
328.09045	5.9
337.09052	1.3
371.09735	4.3
425.11981	0.9
453.08780	1.0
469.11136	1.3
473.16861	3.2
487.12457	20.8
488.12885	4.4
505.13419	1.5
528.89050	0.6
621.19568	0.6
629.15295	2.3
647.16028	1.2
665.17285	100.0
666.17560	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	665.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01373	3.6
61.59850	0.5
61.98520	1.0
61.98832	17.3
71.01370	2.3
71.13006	1.2
72.99312	0.8
73.02950	0.6
78.95920	0.9
85.02970	0.5
87.00887	0.5
88.98801	1.7
89.02444	1.1
93.03496	0.5
96.96021	0.8
98.48505	0.5
101.02480	1.2
109.02949	1.1
109.06587	0.6
116.92892	0.7
117.03495	5.1
119.05034	5.8
121.02972	8.2
123.04536	1.0
125.02464	3.5
135.04544	0.6
137.02441	1.5
145.02965	17.0
146.03304	1.0
149.02408	0.5
150.03246	0.6
151.00502	1.2
151.03969	1.5
161.02420	1.1
163.04063	4.1
167.03520	0.6
168.34032	0.5
171.10252	1.1
173.06198	0.6
188.04846	1.0
201.05559	2.1
209.11778	0.8
215.03477	1.8
227.07224	0.7
229.05098	5.0
230.05785	4.2
231.06587	3.7
241.05330	0.5
243.06622	4.4
244.07326	0.6
245.04568	0.7
245.08124	1.6
255.06696	0.6
257.04553	1.9
270.05316	0.9
271.06110	10.0
272.06577	1.3
273.07690	13.4
274.08093	1.3
285.04181	0.9
287.05701	0.6
289.07309	1.0
300.59439	0.5
301.07242	5.0
302.07336	0.8
331.05850	0.6
345.11313	0.8
357.07623	1.1
370.08612	0.5
371.09204	1.0
373.07050	0.5
373.10858	5.4
383.05551	2.0
383.09845	0.6
395.54752	0.5
397.06775	1.2
397.11243	0.9
399.08856	0.7
401.10303	1.2
408.06702	0.7
413.10300	1.9
414.11258	0.8
415.12112	3.4
417.13541	10.0
418.13812	1.6
423.08667	2.2
425.06372	3.3
426.07306	0.8
427.08295	1.4
428.08710	0.7
441.09656	4.7
442.10434	2.7
443.11359	1.5
457.13074	1.3
459.14917	5.1
460.11600	1.4
461.12057	0.9
467.11526	4.3
468.11511	0.8
469.09378	1.5
470.09970	0.8
474.13501	0.7
475.14041	1.3
483.30981	0.6
485.12363	19.7
486.12616	3.3
487.09952	0.9
502.12619	3.7
503.13455	100.0
504.13760	20.7
504.21277	0.8
527.13385	1.1
543.28394	0.5
545.14471	12.3
546.14532	2.6
575.16034	1.1
605.17285	0.7
665.18958	5.7
665.37134	10.9
666.19183	2.1
666.37231	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	665.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.6
59.01375	8.6
61.98831	2.5
67.01891	1.6
69.03455	1.1
69.35695	0.5
69.74313	1.1
69.74712	3.6
71.01379	8.7
72.99304	1.6
73.02931	3.0
75.00869	5.9
77.87729	0.6
77.92233	0.5
81.03469	0.6
83.01368	0.8
85.02956	7.4
87.00879	11.7
87.01381	0.9
89.02455	4.7
89.86130	0.5
90.02795	0.7
93.03465	11.1
94.03786	0.8
97.02983	0.8
99.00893	2.8
101.02448	3.7
105.01947	12.7
108.02142	0.9
109.02888	0.6
111.00895	1.5
111.04557	1.6
113.02466	2.9
115.00375	3.0
117.01949	1.0
117.03450	1.2
119.05038	94.3
120.05379	4.0
121.02959	1.1
125.35252	0.5
129.01970	4.8
133.02971	1.1
134.03748	2.4
135.03490	1.1
135.04533	20.6
137.02461	2.2
143.05003	1.7
145.02969	5.0
147.02965	3.2
155.03503	2.1
159.03041	2.9
161.02423	2.2
163.04022	100.0
164.04343	5.1
165.04053	89.2
166.04343	2.6
173.04564	29.4
175.02536	0.8
177.04070	6.0
179.03511	20.9
182.01772	0.6
191.01938	1.8
191.05618	22.2
192.05945	2.1
193.05060	2.5
195.05101	7.7
210.06833	0.9
211.07637	32.7
212.07997	3.3
214.84584	0.6
223.07617	1.6
231.38971	0.7
237.09244	3.0
240.81386	0.6
253.08675	0.9
255.10193	0.8
265.08652	4.7
283.09720	0.6
293.12491	1.1
309.07687	2.1
311.07706	34.4
312.08023	3.1
323.07550	2.2
323.13428	10.1
324.13504	1.0
327.08716	6.6
336.09488	0.8
341.08627	2.4
343.07724	0.6
353.08740	25.0
354.09113	2.3
448.08307	0.6
465.97940	0.7
487.12241	5.2
488.12631	0.9
509.39673	0.8
517.13593	1.3
612.25183	0.6
665.17389	20.9
666.17468	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.12573	0.5
57.03454	6.1
59.01375	9.7
61.98823	0.6
67.01894	0.6
68.99811	1.0
69.03455	3.5
71.01383	23.1
72.99321	2.7
73.02927	0.9
75.00875	17.4
80.73820	0.6
81.03471	0.8
83.01374	4.0
84.02161	1.1
84.42897	0.5
85.02950	15.8
87.00874	7.1
88.98779	0.6
89.02446	4.9
93.03469	16.6
94.03761	1.0
95.01388	1.4
96.64833	0.5
96.99299	2.3
97.02959	1.9
99.00887	6.8
101.02438	1.9
103.00365	1.0
108.02192	0.6
109.02914	1.1
111.00910	4.6
113.02434	2.5
115.00380	20.5
115.03953	0.6
117.03461	1.4
119.05036	9.4
120.05408	0.7
121.02973	10.5
123.04500	1.6
125.02471	0.8
129.01956	18.9
130.04254	1.1
131.05040	2.7
133.02957	2.4
135.04529	2.5
137.02383	0.7
139.00395	0.9
141.01959	3.7
143.05051	13.2
144.05367	1.5
145.02951	4.3
145.06566	2.9
147.04518	0.9
149.04512	0.7
153.01971	0.9
155.03468	0.7
157.01405	1.8
158.03731	0.9
159.03012	12.2
159.04468	1.6
160.03267	0.6
163.04008	5.9
165.02080	0.6
167.03601	0.8
171.04480	2.8
173.04529	1.0
175.02481	1.3
177.04063	27.4
177.05498	1.1
178.04396	1.5
191.02005	3.8
191.05588	4.7
195.05101	6.2
196.05412	0.6
210.06885	4.7
211.07651	62.5
212.07962	5.0
213.03992	0.7
221.09711	1.0
222.06888	1.2
223.07637	3.8
235.07631	3.6
237.04008	1.9
237.09203	14.4
238.09685	1.9
239.10744	1.7
249.05869	0.7
250.06355	1.5
253.08701	2.6
257.02893	0.7
263.07162	0.8
264.07504	0.6
265.08667	32.1
266.08963	3.9
275.03961	3.7
283.09695	1.1
291.06540	0.7
309.07687	13.5
310.08041	1.4
321.85867	0.6
323.07864	1.4
325.10278	0.6
327.08725	49.7
328.09122	6.4
337.09183	0.6
371.09848	3.9
417.06927	0.8
453.09613	1.0
469.11423	2.9
473.16391	1.7
487.12476	21.0
488.12735	3.6
505.13464	1.9
629.15234	3.1
647.15955	0.8
659.00281	0.7
665.17279	100.0
666.17566	23.5
666.29059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01371	2.7
60.99302	0.9
66.75658	0.2
67.01888	5.3
69.03456	1.4
69.35013	1.7
69.35441	1.1
71.01380	4.8
73.02962	0.4
75.35307	0.3
80.71716	0.2
81.03464	1.1
83.05022	1.5
84.71278	0.2
85.02954	5.7
85.03457	0.4
85.05221	0.3
85.13931	0.3
87.00880	5.8
89.02457	1.2
93.03463	32.4
94.03799	1.6
99.00887	0.8
99.04566	0.4
101.02441	0.9
109.02960	1.0
111.00936	0.4
111.04524	5.6
112.04892	0.3
113.02452	1.1
115.03971	0.5
117.03457	0.7
119.05035	15.4
120.05384	0.8
121.02937	0.4
123.04498	0.3
125.02493	0.4
127.04033	1.5
129.01968	0.9
129.66193	0.2
130.08746	2.0
133.02924	0.4
137.02432	2.1
143.03549	0.7
143.05029	1.0
145.02962	2.7
155.03503	2.9
163.04021	15.9
164.04335	1.1
165.04102	0.4
171.03046	0.4
172.09801	2.3
173.04561	75.3
174.04900	3.6
175.04955	0.3
177.04036	0.3
179.05658	0.8
191.05621	100.0
192.05960	4.5
210.06871	0.8
211.07666	10.0
212.08058	1.6
237.09290	0.4
265.08600	1.2
276.03622	0.3
309.07690	0.4
327.08670	4.8
328.09192	0.6
337.09265	55.0
338.09616	6.3
339.10080	0.4
341.06659	0.3
391.94754	0.3
429.11746	0.7
489.13806	1.0
501.13736	0.6
536.94989	0.3
603.17163	0.7
663.19238	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	663.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.53506	0.5
61.98826	4.8
66.86217	0.4
71.65179	0.6
103.84956	0.4
105.03467	0.5
114.91922	0.5
119.05050	0.8
132.02190	10.2
133.02988	7.2
134.03766	5.0
134.89513	0.9
149.06122	1.0
153.05737	0.5
160.01675	66.5
161.02094	2.8
175.04022	84.4
176.04355	4.9
177.01979	1.9
183.41251	0.4
186.54886	0.5
193.05098	3.5
207.23004	0.5
274.10141	0.4
455.31851	0.9
467.31848	0.7
469.33160	3.3
470.33917	0.8
534.30151	0.6
648.37024	1.1
663.39087	100.0
664.39447	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	663.172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00488	0.6
56.85526	0.5
57.03430	0.8
58.41475	0.7
59.01386	3.7
61.98519	1.1
61.98828	17.0
71.01379	2.3
71.63455	1.3
73.02934	0.6
78.95920	0.5
85.02942	0.7
88.98769	0.7
89.02471	0.6
97.06569	0.6
101.02444	1.3
116.92869	1.1
125.02451	1.3
139.95999	0.5
145.02960	1.9
158.08272	0.8
161.02391	0.7
161.04573	0.6
171.10275	0.9
177.42981	0.6
191.05713	0.7
220.15176	0.6
228.55025	0.6
260.35007	0.6
370.04913	1.3
372.02936	1.0
386.04553	1.4
399.05136	3.0
400.05777	0.8
413.06656	4.0
414.03400	9.0
415.04312	2.0
425.06778	1.2
427.04498	2.3
441.05978	11.6
442.06821	3.0
443.07651	5.1
444.08133	3.1
446.02551	1.3
457.09280	5.1
458.09610	0.9
469.29501	3.6
470.06375	1.0
471.07162	2.2
483.10638	1.5
485.08731	68.1
486.09250	20.7
487.09650	1.7
498.47388	0.7
499.30624	7.0
500.30786	1.5
501.11597	1.4
501.32123	10.1
502.32278	1.5
503.33792	2.0
514.99603	0.7
552.21094	0.7
563.35675	1.0
605.12897	1.0
628.19452	1.0
648.14984	23.2
649.15308	5.3
663.17236	100.0
664.17535	21.6
664.28705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72561	0.3
57.03439	0.6
59.01389	2.4
61.98829	14.9
66.01835	0.4
68.47073	0.3
70.96458	0.6
70.96800	0.7
71.01382	1.5
72.99312	0.4
75.00874	0.4
78.95914	0.6
83.05023	0.6
85.02953	0.6
85.15751	0.3
89.02438	0.9
93.03465	0.6
96.96975	0.3
99.04500	0.4
99.92570	0.5
101.02431	1.0
109.02960	0.7
116.92884	5.7
119.05063	1.1
121.03019	0.9
125.02471	1.9
135.04500	0.5
137.02440	1.6
145.02948	1.4
151.00371	0.8
151.04002	0.7
161.02423	0.6
163.04042	1.1
164.01082	0.4
165.01927	0.5
168.00536	0.4
171.10243	0.7
177.01933	0.4
192.04221	0.4
209.11765	1.2
211.13391	0.6
223.13283	0.5
244.52190	0.4
245.04222	0.3
271.06046	1.9
285.03949	0.3
287.05392	0.4
289.07108	0.6
303.20697	0.4
370.04654	0.7
372.02646	3.3
373.03348	1.2
379.54636	0.4
383.05420	0.6
385.03247	0.6
388.09451	0.8
395.29288	0.4
396.06107	0.6
397.07208	2.3
398.07938	0.5
399.05026	7.3
399.09811	0.6
400.05753	3.4
401.06381	1.3
404.01193	0.4
414.07309	1.3
426.07159	0.4
429.05627	0.7
439.28513	0.8
440.08731	0.5
441.09814	5.1
442.09885	0.7
443.07693	21.6
444.08395	21.0
445.08682	3.0
457.08994	0.7
457.29544	4.1
458.29822	0.8
459.10593	2.0
472.11780	0.8
483.10767	0.4
485.08792	2.8
486.09152	1.1
499.30807	0.5
501.11801	6.6
501.31659	0.7
502.12164	1.6
543.12097	0.5
566.06262	0.4
567.32782	0.4
603.14899	1.2
605.12958	10.1
606.13287	2.5
663.17230	100.0
663.35883	3.9
664.17554	25.5
664.35510	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
58.00615	0.3
59.01379	3.2
61.98830	6.1
65.00052	0.3
65.00352	0.6
67.00139	0.2
68.85618	0.2
69.46506	2.1
71.01389	2.2
71.05025	0.3
73.02953	0.8
73.11405	0.2
75.00880	0.7
77.92669	0.2
83.01410	0.8
83.05040	0.3
85.02950	1.3
87.00902	0.7
87.04532	1.8
88.98787	0.3
89.02466	1.3
93.03481	0.4
93.94805	0.2
95.01435	0.3
95.05091	0.3
96.96034	0.4
97.02973	0.5
99.00832	0.3
101.02419	1.6
107.01383	1.4
108.02229	0.4
109.02943	2.0
110.03265	0.2
111.00883	0.3
111.04565	0.4
113.02438	1.3
115.03976	0.2
116.92900	0.8
117.03543	0.3
119.03517	0.5
119.05033	0.7
121.02957	0.6
123.04549	0.8
125.02471	1.4
133.03023	0.9
134.03783	0.5
135.00911	0.3
135.04523	0.6
136.01691	0.7
137.02467	1.3
137.09758	1.0
139.04004	1.4
139.07654	0.5
143.05052	0.5
145.03027	0.6
147.00900	0.3
147.04562	0.3
149.02432	0.6
151.00383	4.7
151.04024	0.8
155.10808	6.0
156.11092	0.2
159.04497	0.6
160.01723	0.3
161.02426	0.7
161.04573	0.3
161.06099	0.4
163.00372	0.9
163.03993	0.8
163.11313	0.4
164.01059	0.3
165.01964	0.8
167.04907	0.4
169.01413	0.3
169.02774	0.3
171.04514	1.0
173.04546	0.3
175.04012	1.0
177.01863	0.4
178.99884	1.1
179.03448	0.4
179.05615	0.4
179.10771	0.7
181.08646	0.6
183.04543	0.7
184.84154	0.2
185.06181	0.4
187.04025	1.0
189.01971	0.3
189.05353	0.4
190.99902	0.2
191.03499	0.3
191.05464	0.3
191.10826	0.3
198.03171	0.4
199.04008	4.0
199.09778	4.8
200.04701	0.2
200.10268	0.3
201.01999	1.5
201.05606	0.5
201.11378	0.2
203.03574	0.4
203.07191	0.3
211.04007	1.0
212.04753	0.3
213.01987	0.2
213.05569	1.1
213.11214	0.2
214.02878	0.2
215.03503	1.7
226.02701	0.8
227.03517	3.6
228.03912	0.5
229.01598	0.3
229.04985	0.8
241.01462	0.3
241.05052	5.6
241.10728	1.3
242.02151	0.5
242.05560	0.8
243.02960	4.4
244.03419	0.4
253.10751	0.7
254.02390	0.3
255.02962	6.7
255.12346	0.3
256.03348	0.8
256.07373	4.0
257.04620	0.4
257.07938	0.8
271.02460	56.0
271.09683	8.4
272.02829	5.8
272.10074	0.9
273.04034	0.5
282.01688	0.5
282.99359	0.3
283.02478	6.8
283.11792	2.5
284.03229	1.5
284.11386	0.3
285.03931	0.8
287.05624	0.3
289.07147	0.9
290.07541	0.5
291.07831	0.4
299.01968	100.0
300.02472	15.2
301.03531	18.1
301.06201	0.3
302.03867	1.5
302.07162	0.4
305.10214	0.4
319.11893	0.9
325.05505	0.6
341.06683	0.6
343.13898	1.6
446.08517	30.1
447.09106	9.5
448.09665	0.9
465.11676	0.2
475.08774	0.3
501.10437	0.4
511.16327	0.3
517.09845	9.9
518.10266	1.7
527.17615	0.7
559.28027	0.5
577.28674	0.6
603.12744	0.4
621.14563	3.8
622.15039	0.9
631.18066	0.7
663.15674	60.6
663.25970	4.0
664.16064	14.9
664.26489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67596	0.2
51.63766	0.2
57.03437	0.3
59.01369	0.9
59.07139	0.2
61.98528	0.2
61.98826	4.0
67.74995	0.2
70.90015	0.6
71.01370	0.4
78.95908	0.4
83.05016	0.2
85.02919	0.2
87.26041	0.2
101.02454	0.4
103.34282	0.2
109.02946	0.4
116.92863	0.6
119.05021	0.5
125.02456	0.5
137.02403	0.3
143.81754	0.2
145.02962	0.5
149.17677	0.2
151.00391	0.4
161.04579	0.4
168.10915	0.2
177.01935	0.3
183.44099	0.2
209.11826	0.7
218.44524	0.3
223.13356	0.6
224.13686	0.5
256.10394	0.2
271.06100	0.9
345.07626	0.2
369.07779	0.3
370.04691	0.5
371.05563	0.3
372.02676	3.2
373.03381	1.7
383.05530	0.5
384.05707	0.4
385.03510	0.7
386.04288	0.4
388.09494	0.8
396.06476	0.5
397.07269	1.6
398.07642	0.3
399.05093	6.0
400.05692	3.8
401.06439	1.1
404.01392	0.3
412.09747	0.4
413.06342	0.6
414.07458	0.9
415.08029	0.6
425.06433	0.3
426.07260	0.3
429.05368	1.0
431.11340	0.3
440.08746	0.9
441.09854	4.9
442.10040	0.9
443.07687	21.9
444.08386	20.4
445.08804	2.5
456.08295	0.5
457.09229	1.3
458.09955	0.6
459.10770	2.0
460.11398	0.3
472.11731	0.7
483.10828	0.3
485.08560	3.0
486.09229	1.7
501.11804	5.9
501.32132	5.5
502.12003	1.2
502.32553	1.1
543.12964	0.5
603.14795	1.1
605.12958	8.3
606.13452	2.2
648.14740	0.4
649.15240	0.3
663.17194	100.0
664.17517	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	662.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
61.98830	100.0
62.98547	0.2
69.35294	0.5
71.01405	0.1
88.98829	0.1
89.02514	0.1
94.14368	0.1
98.19829	0.1
101.02485	0.1
116.92894	0.3
119.05069	0.1
125.02457	0.1
137.02530	0.1
145.02965	0.1
151.00407	0.2
163.04001	0.1
165.01855	0.1
197.11778	0.1
209.11769	0.1
271.06155	0.4
272.06503	0.1
663.35333	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	661.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.0
55.01867	0.7
57.03443	1.8
59.01371	3.9
60.99277	0.7
61.98838	4.5
68.99823	1.4
71.01379	16.4
71.59548	0.7
72.01750	0.5
72.99310	3.5
73.02950	1.5
75.00864	0.9
78.95898	1.6
80.99836	0.7
81.62926	0.5
83.01382	3.2
85.02975	1.5
87.00880	4.4
88.57617	0.5
88.98807	1.3
96.96996	0.6
96.99310	0.7
99.00889	13.3
101.02473	1.0
104.57769	0.6
111.00883	5.2
112.98818	32.2
115.00373	6.9
115.92165	0.8
116.92882	1.0
124.98814	7.4
129.01990	2.9
140.98285	1.2
142.99875	100.0
144.00273	3.0
145.01434	4.9
145.02968	0.7
152.99527	1.1
154.99916	1.3
171.10341	1.4
173.00925	67.3
174.01250	3.6
175.02434	0.6
228.39793	0.5
265.31937	0.6
383.29773	0.7
456.32300	0.6
487.34262	9.4
488.34534	1.9
541.31842	2.5
601.34601	1.4
661.35699	5.6
662.36371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
57.03449	1.2
58.00599	0.8
59.01376	15.5
61.98837	0.8
67.01895	0.8
69.03462	0.6
70.08338	0.3
71.01381	11.2
71.63243	0.3
72.99315	1.1
73.02958	0.9
75.00877	1.0
78.95911	0.5
79.54647	0.3
81.03486	0.5
83.01395	1.4
83.05061	0.4
85.02942	3.1
85.06599	6.6
85.66725	0.3
86.06921	0.3
87.00872	2.0
89.02451	10.9
93.03466	7.3
93.44035	0.3
94.03804	0.3
95.01415	0.8
96.84197	0.3
96.96046	0.4
96.96936	0.3
96.99313	0.4
97.02976	0.3
99.00902	0.7
101.02455	7.6
109.02979	0.6
111.00898	0.8
111.03797	0.2
111.04516	1.3
113.02461	4.5
113.06115	1.3
115.00388	1.6
115.07664	1.0
117.03472	0.5
119.03524	3.5
119.05031	3.6
121.02981	0.4
123.04573	0.4
125.02468	1.2
127.07655	0.9
129.01944	2.4
129.05614	0.3
131.07155	33.5
132.07477	1.2
133.02937	0.3
134.03767	0.8
135.04539	0.6
137.02461	0.9
141.01932	0.7
143.05035	2.2
145.02969	1.8
145.06587	0.4
147.04501	0.4
151.04066	0.6
155.03523	0.7
159.03020	2.5
159.04332	0.5
161.02422	0.6
161.04613	0.5
163.04044	3.5
164.04347	0.4
165.01936	0.5
165.04126	0.4
165.05562	0.6
173.04573	8.2
173.08217	1.7
174.04861	0.4
175.03979	0.3
177.04082	2.1
177.05429	0.4
179.03502	0.7
179.05592	0.5
180.04150	0.3
191.05624	11.9
191.07355	0.6
192.05988	0.6
193.05086	0.5
195.05025	0.5
195.06717	0.5
195.78242	0.3
210.06897	1.1
211.07649	39.3
212.07993	3.3
223.07637	1.4
235.07614	0.4
237.09189	2.6
238.09613	0.4
239.10696	0.4
242.03146	0.3
245.08116	0.3
253.08698	0.4
265.08682	4.6
266.08987	0.6
279.03317	0.3
283.09955	0.4
289.07196	1.3
293.12399	100.0
294.12756	9.2
295.12958	0.3
309.07642	3.6
323.07690	0.8
323.13425	1.9
327.08704	10.7
328.09164	1.1
337.09415	1.3
353.08655	0.4
367.10492	1.8
398.39551	0.3
425.12656	0.4
487.12408	8.9
488.12650	1.1
501.14087	0.3
511.34689	0.3
661.17535	6.1
662.17792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
58.00588	0.6
59.01378	2.4
60.99306	0.8
61.98828	2.0
69.03447	0.5
69.48605	1.4
69.49035	1.1
71.01382	2.8
72.99328	0.4
73.02960	1.5
81.03471	1.1
83.05038	0.5
85.02957	3.5
87.00848	0.4
87.04524	3.5
88.98814	5.1
89.02477	0.5
93.03479	1.2
95.01400	1.2
96.96001	0.5
97.02948	1.8
99.00914	0.4
99.04534	0.3
101.02443	1.7
108.02187	44.0
109.02985	23.0
109.03545	0.3
109.06528	0.3
110.03289	1.0
111.04581	0.5
112.92474	0.3
113.02462	1.1
117.03564	0.3
121.02971	0.7
123.00895	1.1
123.04549	1.3
125.02489	1.6
125.06100	0.4
133.02934	0.4
135.04506	0.6
135.08167	0.9
137.02475	1.5
137.06033	0.3
137.09734	5.0
139.04048	0.3
139.07689	0.9
141.09254	0.4
145.02945	0.7
151.04001	1.7
151.11305	0.4
152.01169	59.3
153.01964	25.2
154.02286	1.3
155.10794	24.8
156.11160	1.5
163.04010	1.5
163.11342	0.3
165.01991	0.7
167.10806	0.5
168.00623	0.5
169.12375	1.0
173.04556	0.5
175.04034	0.5
179.03505	0.6
179.10826	1.8
181.07248	0.4
181.08710	1.5
191.05478	0.3
191.10751	1.4
195.02975	0.6
195.10242	1.1
199.09787	7.6
200.10071	0.6
203.07176	0.4
213.11345	1.0
223.09700	0.3
227.12859	0.5
241.10818	1.9
245.08182	0.4
246.08632	0.6
253.10912	0.4
255.12346	1.2
283.11823	2.6
289.07166	1.9
290.07547	1.4
291.07663	1.2
297.06134	0.3
315.07285	0.7
389.85516	0.3
453.17447	1.4
497.16568	9.3
498.16711	1.6
499.17380	0.9
601.20850	0.4
661.23511	100.0
662.23895	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	661.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
59.01377	8.5
61.98831	42.4
64.88342	1.4
67.21458	0.9
71.01366	5.0
71.63347	2.2
73.02945	2.0
75.00852	1.8
78.95909	4.7
83.03794	1.1
83.05000	1.2
88.98808	1.1
89.02448	1.5
92.24471	1.0
93.03466	1.3
96.81908	1.3
96.96014	2.3
96.96952	3.6
99.00818	1.2
101.02442	1.5
116.92876	13.6
117.92870	1.6
119.03471	1.2
119.04944	1.1
121.02951	1.5
125.02441	2.2
137.02425	1.6
142.99861	2.1
145.02934	3.1
151.04002	1.5
159.10249	4.1
161.04593	1.5
161.05920	1.1
163.04013	2.3
169.12325	2.5
171.10297	2.4
197.11893	1.6
201.05556	3.1
203.03464	2.0
209.11835	6.2
211.03979	3.0
211.13460	2.5
215.03531	1.7
217.05115	2.8
218.05833	2.2
223.13297	3.1
227.03432	1.9
229.05000	8.7
233.04379	1.8
243.02971	4.1
245.04538	5.0
246.05186	2.4
257.04520	4.5
257.08264	1.4
271.06131	2.4
272.06839	2.0
273.04495	2.2
273.07654	30.5
274.04910	1.3
274.08026	4.3
275.09229	1.9
287.05670	5.6
288.06302	2.5
289.07172	9.0
290.07791	2.4
305.06720	10.5
307.08112	1.8
362.87949	1.5
383.09427	1.9
393.07767	1.8
394.08417	1.7
395.09192	3.5
405.07596	1.8
407.05463	1.5
409.07059	3.0
410.07730	2.5
411.08679	6.8
421.07193	16.7
421.69223	1.3
422.07947	8.6
423.08582	1.9
439.12299	1.8
447.09015	1.8
450.07324	3.4
455.11337	7.8
456.11853	1.7
465.09705	13.7
466.10535	10.4
467.11032	3.8
483.10925	3.3
484.11404	2.1
489.48358	1.3
494.09805	2.5
509.12390	10.0
510.13037	4.7
527.13574	9.7
528.13739	1.9
545.14154	6.9
563.15631	100.0
564.15997	21.0
620.25281	1.4
629.32001	2.9
661.22913	68.5
661.33771	5.9
662.23364	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	661.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.0
59.01374	5.1
61.98533	1.5
61.98827	24.4
69.03455	1.5
71.01389	3.6
71.59560	0.9
72.99278	0.7
73.02933	1.7
75.00865	1.2
78.95917	0.8
81.03454	3.1
83.01395	9.8
85.02955	1.4
87.04474	0.7
88.98782	1.4
89.02440	2.5
93.03458	3.4
95.01392	1.5
95.05058	3.3
96.96020	1.7
97.02959	8.8
99.04511	1.3
101.02428	2.0
108.02160	1.1
109.02967	27.7
110.03283	0.9
111.00899	0.7
113.02445	2.1
116.92847	2.9
117.03458	0.7
118.31141	0.7
119.03481	0.6
119.05045	1.3
121.02957	6.1
122.03699	2.1
122.06107	2.0
123.00889	0.7
123.04541	17.0
124.01627	1.2
124.04869	0.7
124.07700	0.9
125.02451	20.4
132.04530	1.8
133.02943	1.4
135.04526	4.1
135.08160	0.9
137.02457	49.0
138.02773	1.6
139.04021	7.2
145.02917	2.4
146.03714	0.9
147.04501	1.7
149.02451	8.7
150.03220	1.4
150.05542	1.0
151.00381	2.8
151.02890	0.9
151.04021	13.8
152.04384	0.8
153.01961	1.9
158.02480	1.3
159.04526	3.2
160.03987	1.1
160.05249	1.8
160.66597	0.7
161.02464	6.2
161.04727	1.5
161.06065	7.9
162.03160	2.3
163.00381	1.3
163.03986	3.1
164.01201	3.8
165.01950	15.7
165.05583	0.9
166.02567	1.6
167.03473	3.3
168.00641	1.2
173.06000	1.1
174.03259	1.1
175.04036	4.3
175.07628	3.0
176.03395	1.3
176.04733	1.8
177.01970	0.9
177.04002	0.8
177.05547	2.2
178.02330	0.7
179.03496	14.9
180.04254	4.2
185.06104	1.4
187.04012	7.2
188.04774	4.2
189.05342	0.9
190.05087	9.7
191.03481	1.4
191.05609	0.8
191.07205	0.7
194.05867	6.0
195.05083	0.9
195.06630	7.3
197.05914	0.9
199.07547	1.0
201.05524	2.7
202.06345	4.7
203.07144	21.2
204.07341	1.3
205.03288	1.1
205.05055	14.5
209.08163	8.2
214.05113	1.5
215.07030	2.6
215.11829	1.0
221.08252	3.6
224.09444	1.4
225.07704	10.2
226.07988	0.9
227.07120	2.6
229.04935	1.4
230.05675	0.8
231.02985	1.2
239.11853	4.1
240.10355	1.4
241.09787	1.6
245.08145	23.7
246.08391	1.9
247.06158	3.7
251.08055	1.0
253.06238	4.4
253.09625	2.0
255.07465	0.8
255.11304	1.6
265.06177	0.9
265.09515	0.9
266.06680	0.8
267.07593	2.5
267.11359	1.6
268.08575	3.6
271.06113	3.8
271.09531	0.7
279.07617	1.1
280.08502	4.6
281.09061	2.0
283.10867	28.4
284.11041	3.3
285.03897	1.9
287.05536	1.4
289.07162	50.3
290.07489	5.3
295.10858	15.7
296.11298	1.5
300.02762	0.9
301.07098	7.4
309.08627	2.0
309.12109	0.9
315.13367	2.1
325.10861	0.8
327.09708	6.6
327.13440	6.0
328.10153	0.9
337.11850	3.8
339.09836	3.9
341.06512	0.7
353.14926	1.1
359.08450	0.9
359.12479	10.8
360.12674	1.3
371.12418	5.5
379.12857	1.7
411.15454	2.5
415.55942	0.8
429.17450	0.8
477.12827	1.3
481.21814	2.4
496.63339	0.9
504.14069	1.0
509.15579	18.6
510.15677	3.0
585.18866	3.3
586.18451	0.8
629.17871	25.8
630.18164	6.1
661.20154	100.0
662.20599	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19612	0.1
51.47416	0.1
57.03446	0.7
59.01371	1.0
61.98824	0.3
63.06628	0.1
67.01896	0.4
69.03458	0.3
71.01387	2.0
71.56750	0.2
71.86613	0.1
72.99348	0.1
75.00891	0.4
83.01399	0.3
83.05029	0.2
85.02953	1.7
87.00883	1.0
88.98811	0.1
89.02463	0.4
93.03464	4.8
95.01377	0.2
96.99328	0.2
97.02982	0.2
99.00880	0.8
108.02226	0.2
109.02969	0.3
111.00896	1.5
111.04549	0.8
113.02467	0.2
115.00386	1.3
117.03493	0.3
119.05051	1.4
121.02991	0.4
123.04547	0.4
125.02485	0.2
127.04071	0.2
129.01959	4.3
130.02306	0.2
130.04318	0.2
131.05043	0.4
134.03697	0.1
135.04549	0.3
137.02473	0.5
137.71988	0.1
141.01947	1.1
143.05063	1.3
145.02998	0.4
145.06535	0.3
147.04543	0.2
155.03513	0.7
159.03011	5.0
159.04323	0.2
163.03999	0.9
165.00099	0.1
169.02072	0.2
169.06548	0.2
171.04599	0.3
173.04568	4.2
177.04062	5.2
178.04407	0.3
183.08154	0.2
191.05630	6.4
192.05975	0.3
195.05255	0.1
195.08243	0.1
209.06082	0.3
210.06870	5.0
211.07652	100.0
212.07991	8.4
222.07098	0.1
223.07651	0.5
224.07924	0.1
235.07715	0.5
237.09213	1.8
238.09625	0.2
250.06248	0.2
253.08817	0.3
258.43280	0.1
265.08676	3.6
266.09079	0.4
275.03720	0.2
283.09741	0.2
309.07663	3.6
310.07983	0.4
323.07446	0.1
327.08746	4.7
328.09085	0.4
337.09332	0.3
343.12274	0.1
362.54218	0.2
389.12338	0.3
425.12451	0.2
449.09158	0.3
470.45233	0.2
487.12408	7.9
488.12820	1.0
501.13571	0.2
661.17657	5.9
662.18048	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18903	0.1
57.03445	0.7
59.01378	0.8
59.01631	0.1
63.66674	0.1
67.01900	0.2
69.03473	0.3
69.55261	0.9
71.01386	1.5
73.02940	0.1
75.00875	0.5
78.95895	0.1
79.51932	0.1
81.03481	0.2
83.01408	0.3
84.29774	0.1
85.02961	1.4
87.00892	0.8
89.02487	0.2
93.03465	3.0
93.04017	0.2
95.01407	0.1
96.99348	0.1
97.02965	0.3
98.20605	0.2
99.00896	0.8
101.02465	0.2
109.02998	0.4
111.00900	1.3
111.03878	0.1
111.04573	0.5
113.02424	0.1
115.00375	0.6
117.03498	0.5
119.05037	2.1
121.02960	0.4
123.00910	0.1
123.04560	0.6
125.02488	0.4
129.01962	3.8
131.05112	0.2
133.03032	0.3
135.04504	0.1
137.02428	0.5
141.01952	0.9
143.05020	0.7
145.02974	1.1
145.06610	0.3
149.02417	0.2
151.04025	0.3
155.03557	0.8
159.03006	4.3
159.04320	0.1
160.03345	0.1
161.02469	0.2
163.04015	2.0
164.01181	0.1
165.01924	0.2
165.05617	0.2
169.06665	0.1
170.90442	0.1
171.04582	0.1
173.04570	3.8
173.06065	0.3
177.04050	4.3
179.03484	0.2
183.08173	0.2
191.05621	3.9
192.06013	0.2
193.06618	0.2
195.05325	0.2
203.07118	0.2
205.05112	0.2
205.26196	0.1
209.06030	0.2
210.06889	3.9
210.51070	0.1
211.07652	100.0
212.07991	8.7
223.07610	0.6
235.07680	0.3
237.09230	1.4
238.09695	0.3
239.10706	0.2
245.08075	0.5
250.06381	0.2
253.08737	0.3
265.08682	2.4
266.09021	0.2
273.26224	0.1
283.09711	0.2
289.07184	2.3
290.07483	0.2
309.04352	0.2
309.07703	2.4
310.08026	0.3
323.07639	0.6
326.53433	0.1
327.08759	3.4
328.08942	0.3
333.07449	0.1
337.09357	0.3
371.09824	0.3
389.12354	0.2
407.53455	0.1
425.12347	0.4
427.46808	0.1
469.11176	0.2
487.12424	7.7
488.12811	1.3
661.17755	6.2
662.18018	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98834	0.8
63.02423	0.4
65.00025	0.2
65.00351	0.6
83.01408	0.5
90.80158	0.1
93.03481	0.3
98.19838	0.3
103.85610	0.1
107.01402	1.0
117.03460	0.9
122.06152	0.2
122.67705	0.1
123.04581	0.2
126.16718	0.1
133.02940	0.2
135.04538	1.1
138.01926	0.1
143.05034	0.2
151.00394	3.3
153.01921	0.1
154.04311	0.2
155.05037	0.4
159.04521	1.1
164.19411	0.1
165.01982	0.2
167.05029	0.2
169.01465	0.3
169.06598	0.6
171.04482	0.5
173.02396	0.3
173.06085	0.2
182.03790	0.3
183.04515	3.1
184.04799	0.2
185.02457	0.6
185.06070	0.3
187.04010	0.5
189.05571	0.4
199.04022	0.4
210.03271	0.2
211.04012	2.5
212.04428	0.2
213.01852	0.1
213.05553	0.3
214.02618	0.2
215.03568	0.2
227.03490	2.6
229.05103	0.3
239.03529	0.4
241.04916	0.2
243.03096	0.3
255.02972	43.5
256.03326	3.9
257.04407	0.7
271.06229	0.2
282.01511	0.3
283.02469	100.0
284.02847	10.7
285.04034	15.3
286.04355	1.5
287.05655	1.1
335.22250	0.2
430.09042	25.8
431.09647	7.4
432.10229	0.6
459.51053	0.2
462.19559	0.2
504.17847	0.2
505.18106	0.2
515.11829	1.5
516.12018	0.3
557.27533	0.1
601.15784	0.3
619.16968	0.3
625.15588	0.3
661.17792	50.5
662.18115	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	661.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.0
59.01374	4.0
60.99313	0.6
61.98846	1.0
67.01905	2.0
69.03471	2.0
69.49706	3.8
71.01379	8.8
75.00890	1.4
81.03469	1.2
83.01385	1.1
83.05036	0.9
85.02950	5.7
87.00882	3.6
89.02471	1.2
93.03464	38.5
94.03819	1.5
96.99320	2.7
97.02992	1.6
98.20552	1.1
99.00908	3.2
101.02448	0.8
108.02212	1.0
108.06776	0.5
109.02985	2.2
111.00890	4.0
111.04531	4.3
113.02476	0.7
115.00391	9.2
117.03498	2.2
119.05028	12.1
119.30885	0.4
120.05389	0.6
121.02968	6.4
123.04549	2.0
125.02505	1.5
127.04079	0.6
129.01947	12.6
130.02235	0.5
130.04260	0.6
131.05054	3.8
133.02954	2.4
134.03702	0.5
135.04561	2.0
137.02448	4.4
141.01956	3.7
143.05037	13.2
144.05376	1.1
145.02962	8.3
145.06572	3.7
146.03310	0.6
147.04558	1.4
155.03506	5.3
158.03749	1.6
159.03018	12.3
159.04463	2.1
161.02451	1.0
163.04012	9.2
165.05591	0.8
171.04492	2.5
173.04558	55.2
174.04883	2.6
177.04054	8.2
177.05519	1.0
191.05617	26.5
192.05939	1.7
203.03613	0.7
203.07124	0.7
205.04988	0.7
210.06886	5.5
211.07640	100.0
212.07956	8.7
221.09705	0.7
222.06850	1.2
223.07596	5.6
224.08061	0.8
225.09357	0.7
235.07608	4.6
237.09184	18.8
238.09650	3.1
239.10727	2.7
245.08150	0.6
247.07617	1.1
250.06398	2.0
251.06865	0.9
253.08678	3.5
255.02939	0.8
265.08661	37.1
266.08969	4.7
271.02393	0.8
273.93088	0.5
275.04099	1.9
283.09653	1.3
289.07242	3.3
300.02792	3.5
301.03394	1.0
309.07657	23.7
310.07941	1.9
323.07770	3.2
327.08731	56.0
328.09097	6.3
337.09256	5.2
367.10220	1.2
425.12479	2.6
449.09482	0.9
463.08435	1.0
469.11481	0.7
487.12430	59.4
488.12811	10.0
625.13739	1.8
661.17651	24.2
662.18134	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	661.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00520	0.1
59.01377	4.4
61.98829	2.5
63.02431	0.4
64.28036	0.1
65.00029	0.3
65.00356	0.7
69.54671	1.0
83.01403	0.3
85.02934	0.1
89.02439	0.2
93.03508	0.4
107.01397	1.1
109.39906	0.1
113.02501	0.2
117.03473	1.0
118.03877	0.1
125.02467	0.2
129.82597	0.1
135.00919	0.2
141.03496	0.2
143.05067	0.2
150.62102	0.1
151.00389	2.6
152.00842	0.1
153.40857	0.1
155.05020	0.4
159.04538	0.8
167.05048	0.4
169.01410	0.2
169.06641	0.4
171.04500	0.5
173.02444	0.2
173.06165	0.2
178.14253	0.1
179.00003	0.1
182.03723	0.4
183.04526	3.4
184.04868	0.2
185.02470	0.3
185.06143	0.2
187.04028	0.5
189.05574	0.3
195.04559	0.2
198.03192	0.2
199.04004	0.4
210.03029	0.1
211.03999	3.0
211.07300	0.1
212.04366	0.3
213.05565	0.5
215.03523	0.4
226.02832	0.2
227.03494	2.6
228.04088	0.2
229.05139	0.2
239.03513	0.3
243.03165	0.1
254.02283	0.2
255.02980	47.4
256.03336	4.6
257.04550	0.3
259.86865	0.1
265.13641	0.1
282.01678	0.2
283.02472	100.0
284.02844	10.9
285.04041	11.0
286.04407	1.1
288.06134	0.1
289.06650	0.1
314.34888	0.1
354.88290	0.1
401.08725	0.4
406.58002	0.1
429.08237	3.2
430.09036	36.3
431.09619	8.8
432.10153	0.4
455.09894	0.7
456.10065	0.1
473.10611	0.3
504.20584	0.1
515.11951	1.8
516.11853	0.3
601.15564	0.7
602.16138	0.2
619.16626	0.2
661.17792	44.9
662.18127	10.3
662.29364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03188	0.3
57.03436	1.8
58.00587	0.3
59.01091	0.5
59.01378	7.2
60.15340	0.3
61.98521	0.5
61.98829	9.9
69.03468	0.7
69.32716	1.4
69.33142	1.5
71.01382	5.4
72.99307	0.4
73.02952	1.7
78.95893	0.4
80.02684	0.8
81.03461	1.6
83.01382	1.3
83.05028	5.3
84.02179	0.7
85.02941	2.3
87.00876	1.3
88.98808	0.7
89.02449	3.5
91.40752	0.3
93.03446	0.4
95.01384	0.8
95.05019	1.5
95.67907	0.3
96.96008	0.8
97.02919	0.6
97.06599	5.4
99.00886	0.3
100.44170	0.3
101.02453	5.0
107.01371	0.3
109.02998	0.4
109.06613	0.7
111.04530	0.4
113.02453	3.0
116.92878	0.6
117.03534	0.4
119.03503	1.0
119.05022	1.0
121.03000	0.5
123.04546	0.3
125.02431	0.9
125.06063	0.6
125.09723	1.0
133.05037	0.3
135.04527	0.6
135.08200	1.0
137.02454	0.9
143.03482	0.6
145.02968	0.6
145.05095	0.6
149.02597	0.3
149.09740	0.5
151.00374	0.8
151.04042	0.3
151.11302	15.9
152.11665	1.0
161.02415	0.3
161.04594	1.8
163.04025	0.6
163.11295	3.6
165.01933	0.5
165.12863	2.3
165.87889	0.3
169.12350	64.7
170.12703	4.2
171.10243	0.7
173.01096	0.3
179.05565	0.9
181.12357	0.3
183.10287	1.1
183.13982	0.3
185.11781	0.4
191.10791	1.0
195.10269	2.5
197.11832	0.9
199.13367	0.4
205.05013	0.4
207.10286	0.5
209.11827	69.7
210.12160	5.5
211.13420	1.0
212.13649	0.6
213.11328	10.5
214.11679	0.6
227.12894	6.6
228.13211	0.3
235.08235	1.8
237.39651	0.4
245.78496	0.3
247.16862	0.3
253.09265	4.3
271.06015	1.4
285.12466	0.8
287.05338	0.5
293.14008	0.5
361.87350	0.3
392.25476	0.4
431.19092	2.7
445.20572	0.3
449.20224	5.3
450.20444	0.7
453.17560	0.4
497.17886	0.7
497.27933	0.7
551.22882	0.4
583.25482	0.4
609.24341	0.5
627.24725	1.4
641.31982	2.3
650.67584	0.4
659.32928	100.0
660.33295	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	659.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
59.01382	5.2
61.98826	17.9
65.00320	0.9
69.43141	4.4
71.01395	3.5
80.05058	6.2
80.91652	0.7
83.01418	1.3
85.02959	1.7
87.00925	0.6
88.98811	0.6
89.02443	1.8
93.03449	1.5
94.06612	1.1
96.96011	1.6
97.02938	1.0
101.02463	1.3
103.04112	0.6
104.05078	2.1
105.01927	0.6
106.06622	2.5
107.01405	3.2
107.03788	5.1
108.04556	3.7
109.02973	2.8
113.02448	1.3
116.92891	0.6
117.03494	1.3
119.05045	1.8
120.04591	0.8
121.02974	2.4
121.05340	0.7
122.06136	36.1
123.04545	2.1
123.06477	1.2
124.07686	0.7
125.02460	4.2
126.58257	0.6
130.06689	0.7
132.04568	2.1
134.06148	9.9
135.04547	4.2
135.08160	0.9
136.04900	1.4
136.07722	3.9
137.02452	4.0
138.01971	2.6
139.02797	0.7
145.02945	2.5
146.06104	2.1
147.04446	0.7
148.04082	1.7
149.02507	1.3
150.05640	1.5
150.99190	0.8
151.00388	11.5
151.03984	1.6
151.07678	0.7
152.00723	2.4
152.07188	51.5
153.01923	0.9
153.07532	2.7
155.10793	1.5
160.04025	1.8
160.07610	0.9
161.02463	1.3
161.04659	1.1
161.06055	1.5
162.02914	0.6
163.04034	1.1
164.07314	0.7
165.01942	2.3
167.03624	0.8
173.04840	0.9
174.05586	3.1
175.00391	0.7
175.03923	0.7
177.01974	0.9
179.03436	0.9
180.06674	9.1
181.07088	0.6
186.05588	0.8
188.07178	16.6
189.07498	1.0
190.05161	1.5
203.07057	1.0
205.05048	1.6
210.08000	1.0
211.08829	3.5
212.09308	0.7
213.10272	1.5
215.07104	0.8
223.12361	0.7
224.09508	1.4
225.10254	4.9
226.11023	1.5
227.11861	4.0
233.10976	0.7
236.05847	0.6
237.10315	1.7
238.07474	2.1
239.08318	1.3
239.11836	3.0
241.13481	0.8
245.07945	0.7
245.12953	5.7
249.10258	2.0
250.07538	0.7
251.08266	2.3
251.11809	3.0
252.09010	2.6
252.12029	0.6
253.09813	11.3
254.10295	1.3
263.08258	1.3
264.09030	2.0
265.09769	4.2
266.10342	1.4
267.11331	6.1
268.11545	0.7
271.06085	6.1
272.06494	1.2
277.09747	3.1
279.07761	3.6
279.11337	2.4
280.08426	1.0
281.09381	1.7
281.12918	0.9
285.12396	3.2
287.05563	5.1
288.05923	2.9
289.07196	3.9
292.05295	0.6
292.08524	1.3
293.09283	2.8
293.12579	0.9
294.10147	3.1
295.10867	40.5
296.11288	4.4
297.12540	0.9
301.07169	1.6
303.05164	0.9
305.09192	0.8
307.07440	0.8
307.10876	14.7
307.19199	0.7
308.11368	1.5
309.12436	2.2
313.11908	2.8
321.08786	1.1
323.10349	5.2
325.12015	0.9
339.09647	3.1
341.11642	0.8
355.12930	1.2
358.15585	1.2
392.19727	1.9
398.75339	0.7
400.16776	2.0
414.18594	0.8
418.17868	1.4
419.18323	0.7
432.19699	4.0
436.18649	1.2
440.16125	0.9
442.17346	0.8
458.17459	0.8
460.18771	40.3
461.19229	5.3
463.17380	0.7
476.18121	4.4
477.18555	1.0
486.16565	1.0
497.17499	0.6
504.17746	100.0
505.18085	20.4
508.20963	2.4
536.20331	72.2
537.20667	14.3
565.24390	3.9
596.14984	7.5
597.15015	1.1
609.23816	5.4
610.24603	1.1
627.24585	7.4
628.24976	2.8
629.20264	0.8
641.25970	2.9
641.35809	1.6
642.27094	0.7
659.27203	9.9
660.27856	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	659.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.5
59.01379	1.4
61.94488	0.2
61.98825	3.4
67.01909	0.2
68.69500	0.2
68.99837	0.2
69.03452	0.6
71.01380	1.0
72.01761	0.2
73.02957	0.2
75.00855	0.3
80.02662	0.4
81.03454	2.8
83.01382	2.9
84.31584	0.2
85.02950	0.5
89.02444	0.8
93.03470	1.9
95.01400	1.1
95.05039	2.5
97.02346	0.4
97.02958	5.2
99.00903	0.2
99.04481	0.4
101.02431	0.5
102.34022	0.2
107.05032	0.9
108.02184	1.0
109.02966	20.8
110.03297	0.8
111.04546	0.3
113.02446	0.5
117.03492	0.4
119.03461	0.3
119.04975	0.3
121.02972	3.3
122.03733	0.8
123.00922	0.3
123.04539	14.4
124.04890	0.3
125.02461	17.8
126.02779	0.6
131.05066	0.3
133.02950	0.3
133.06630	0.3
135.04550	2.4
137.02461	13.5
137.09648	0.2
138.03099	0.7
139.04031	3.4
145.02972	1.6
146.03795	1.5
147.04483	0.7
149.02458	4.8
149.06117	0.3
150.03201	0.7
151.04025	8.7
153.01900	0.4
153.05598	1.2
155.10782	0.8
157.06564	0.5
158.03699	0.3
159.04533	3.2
160.05278	1.7
161.02460	1.2
161.06100	6.4
162.03236	1.8
163.04051	2.7
164.01170	3.7
165.01956	5.0
166.02628	0.6
167.03496	2.3
167.75706	0.2
173.02475	0.2
173.06107	0.8
174.03239	0.6
175.04002	2.6
175.07600	2.0
177.05606	0.7
179.03508	7.0
180.03923	0.4
185.06062	1.2
187.04008	5.9
188.04794	5.4
189.01889	0.4
189.05382	0.5
190.02586	0.3
191.03516	0.4
199.07626	0.7
200.04829	0.3
201.05588	0.9
202.06340	2.5
203.03552	0.7
203.07147	16.8
204.07483	1.0
205.05066	11.3
206.05363	1.1
212.04787	0.8
217.05113	0.3
217.08781	1.0
221.08182	3.2
225.05293	0.3
227.07069	3.2
229.04942	0.3
230.05870	0.8
231.02960	1.1
245.08182	22.5
246.08505	2.0
247.06096	1.6
271.06018	1.0
271.09796	0.4
289.07172	100.0
290.07532	9.3
290.10162	0.2
315.08759	2.3
341.06647	0.4
385.39307	0.2
435.10831	1.1
435.22168	0.2
449.00156	0.2
479.13834	0.5
479.20743	10.3
480.21222	1.5
497.20517	1.0
507.22250	1.0
573.69537	0.3
659.27228	33.3
660.10370	0.3
660.27563	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	659.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28659	0.5
57.03439	3.3
59.01373	3.7
61.98826	5.1
69.03458	1.3
70.13576	1.8
70.13995	1.1
71.01388	4.1
72.99331	1.0
73.02985	1.3
75.00874	1.9
81.03467	2.4
83.01383	4.4
85.02962	3.2
87.00882	0.7
87.04530	2.3
88.98794	0.7
89.02461	1.7
93.03474	10.1
93.28245	0.6
95.01400	1.8
95.05034	2.7
97.02961	7.5
97.20364	0.6
98.19975	1.2
101.02463	1.4
107.05040	0.8
108.02184	26.4
109.02969	42.6
110.03308	1.7
111.04534	0.6
113.02477	1.4
119.03497	0.8
119.11370	0.5
121.02975	4.2
122.03767	1.7
123.00890	1.6
123.04543	14.5
124.04855	0.6
125.02463	19.5
129.01974	0.9
135.04524	2.2
135.08247	0.8
137.02461	19.8
137.09743	3.8
138.02847	0.8
139.04034	4.5
145.02962	1.5
146.03766	1.0
147.04588	0.9
149.02478	5.4
149.99579	1.4
150.03220	0.9
151.00414	0.6
151.04041	10.4
152.01172	40.2
153.01965	18.6
153.09210	0.6
154.02249	1.1
155.10799	14.3
156.11101	1.3
157.06660	0.7
159.04579	3.0
160.05269	1.6
161.02463	1.6
161.06091	7.1
162.03214	2.2
163.04018	3.2
164.01196	4.5
165.01945	5.5
167.03503	2.8
167.61417	0.6
168.00691	2.7
169.12378	1.0
174.03340	1.4
175.04022	2.2
175.07686	2.3
177.04066	2.0
177.05521	1.0
179.03496	8.4
179.10751	1.2
180.04068	0.6
181.08730	1.4
185.06021	0.9
186.06743	0.7
187.04041	6.5
188.04776	4.7
199.07767	1.2
199.09734	4.2
201.05569	1.2
201.08975	0.6
202.06328	1.9
203.07155	16.5
204.07678	1.1
205.05057	13.2
206.05460	0.8
212.04803	1.2
213.11313	0.9
217.08662	1.3
221.08224	2.9
221.10075	0.8
227.07172	2.7
230.05891	1.1
230.20750	0.6
233.73489	0.6
241.10844	1.6
245.08188	22.1
246.08470	1.9
247.06105	2.0
255.12300	0.7
271.05988	1.4
281.79413	0.6
283.11932	1.1
289.07169	100.0
290.07501	11.2
315.08774	2.5
339.28394	0.7
359.13379	0.6
453.17615	1.0
479.20792	8.1
480.21198	1.3
495.15225	1.1
497.16608	35.4
498.16974	5.5
507.22098	0.9
538.05963	0.6
539.17358	3.9
540.17920	0.8
599.19940	4.7
600.20575	1.1
641.20685	0.7
659.22540	34.5
660.23108	7.2
660.26202	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	659.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.1
58.00593	0.8
59.01376	7.1
61.98833	11.3
65.03946	0.8
66.97896	0.7
69.03473	1.5
69.53350	6.5
69.53687	1.1
71.01390	7.5
73.02953	2.2
75.00878	6.9
80.37155	0.7
81.03472	3.8
83.01392	4.1
85.02957	4.9
87.00886	2.7
87.04521	5.4
88.28139	0.8
88.98815	0.9
89.02468	2.3
93.03468	32.9
94.03815	1.0
95.01405	3.3
95.05029	3.7
97.02966	8.6
98.19857	1.0
99.00900	1.1
99.04517	0.8
101.02465	2.9
107.05044	1.4
108.02186	31.1
109.02974	48.6
110.03281	1.8
111.04552	1.1
113.02457	2.0
119.05051	1.2
121.02973	6.9
122.03749	1.3
123.00900	1.7
123.04536	13.9
123.05354	1.0
124.01714	1.8
125.02468	21.7
126.02787	0.8
129.01962	2.4
135.04544	2.4
137.02472	43.1
137.09732	5.1
138.03003	1.3
139.04008	3.6
141.01984	2.0
145.03006	2.6
146.03770	1.9
147.04521	0.8
149.02470	4.8
149.99644	1.6
151.04031	9.5
152.01172	42.2
153.01970	25.4
154.02310	1.2
155.10800	20.4
157.06487	1.0
159.03310	0.7
159.04539	2.5
160.05348	1.2
161.02463	2.1
161.06113	6.8
162.03259	2.0
163.04025	4.4
164.01143	4.1
165.01979	6.8
167.03563	2.6
168.00690	2.6
169.12341	1.3
173.06094	1.2
175.04019	4.2
175.07684	3.0
177.04071	8.3
177.05554	1.5
179.03474	7.2
179.10828	1.3
181.08736	1.8
185.06076	1.2
187.04076	5.4
188.04788	4.4
195.10286	1.5
199.07913	1.3
199.09750	7.5
201.05479	1.2
202.06410	2.9
203.03462	0.9
203.07164	16.5
204.07530	1.4
205.05083	11.4
206.05315	1.0
221.08157	2.0
227.07184	1.9
230.05713	1.0
241.10777	3.0
245.08195	23.9
246.08513	2.1
247.06123	1.8
283.11942	2.2
289.07172	100.0
290.07455	8.1
315.08926	1.9
341.12341	0.8
343.13852	1.4
359.13528	2.9
368.87897	0.8
453.17542	1.0
479.16000	0.9
479.20917	8.0
480.21332	1.5
481.17105	1.4
497.16608	41.5
498.16827	6.5
521.18683	1.6
527.13049	0.8
539.17804	4.6
599.19971	5.9
600.20398	1.5
603.49353	0.8
641.21375	1.7
659.22565	64.5
660.22675	13.8
677.39398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89361	0.1
57.03444	0.8
59.01376	2.4
61.98827	1.1
63.02397	2.1
65.00322	6.4
66.79668	0.1
68.98316	0.1
69.40244	0.1
69.47203	1.1
71.01385	0.9
72.99309	0.2
73.02950	1.6
74.31509	0.1
81.03474	0.1
83.01390	7.4
85.02966	0.4
87.04526	0.5
93.03472	4.7
94.03806	0.3
95.05025	0.1
101.02447	1.4
107.01401	12.3
108.01729	0.2
108.99374	0.1
109.06623	0.1
113.02452	0.4
115.36054	0.1
117.03487	0.5
119.05040	29.3
120.05360	1.4
121.03001	0.4
121.06603	0.1
124.01678	0.1
125.02454	4.0
125.06058	0.2
127.04041	0.2
131.01381	0.2
133.02991	0.3
137.02457	1.1
137.09694	0.2
138.02777	0.3
139.07697	0.4
139.11305	2.2
143.03465	0.2
143.05051	0.8
145.02977	1.8
149.02461	0.3
149.09673	0.1
150.06847	0.2
151.00385	50.4
151.11339	0.2
152.00717	2.0
157.06586	0.2
161.02428	0.2
161.06100	1.0
163.11319	0.2
164.01097	0.1
165.01950	2.3
165.09236	0.4
167.10767	0.1
169.01430	1.4
169.12370	0.8
175.00392	0.9
177.01950	4.0
179.10823	0.7
180.11157	0.1
181.12364	1.2
183.10277	5.4
184.10481	0.2
185.06107	2.0
186.06346	0.2
187.04012	2.2
197.11798	0.9
199.07730	0.2
199.13445	0.4
203.07143	0.5
209.06178	0.1
209.11786	0.4
217.01375	0.2
225.11311	5.0
226.11629	0.3
227.07130	2.7
228.07428	0.3
229.05028	0.4
231.10229	0.2
239.12889	0.3
243.12369	6.0
244.12732	0.3
249.11327	0.6
253.05063	0.3
263.12891	0.2
267.12320	1.0
271.06091	100.0
272.06433	8.7
279.12454	0.2
285.13464	0.9
291.12424	1.3
295.06073	0.3
309.13519	0.7
313.07141	0.3
327.14508	3.0
351.14444	0.1
369.15533	0.3
387.16592	14.7
388.16830	1.3
495.36688	0.2
513.19446	0.2
589.34900	0.1
659.23486	12.1
659.33105	0.5
660.23737	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	658.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21972	0.1
57.03450	0.4
59.01383	0.6
61.98827	100.0
62.98541	0.2
65.00333	0.3
67.80212	0.1
71.01383	0.7
71.64319	0.2
72.99323	0.1
73.02949	0.2
75.00874	0.4
78.95922	0.2
81.03431	0.1
83.01405	0.4
85.02970	0.3
87.00897	0.2
88.98853	0.2
89.02469	0.3
93.03487	0.7
93.03984	0.1
95.01390	0.2
96.96012	0.2
97.02973	0.1
101.02460	0.5
107.01396	0.2
107.05008	0.1
108.02164	0.2
109.02967	0.5
113.02469	0.2
115.52702	0.1
116.29324	0.1
116.92896	0.1
117.03500	0.4
119.03598	0.1
119.05064	0.4
120.05408	0.2
121.02965	0.3
122.03783	0.1
123.00909	0.1
123.04551	0.4
124.01664	0.3
125.02451	2.7
126.02805	0.1
129.01970	0.1
131.99292	0.1
133.02969	0.2
135.04524	0.1
135.08197	0.1
137.02448	1.3
137.09761	0.2
137.60941	0.1
138.02866	0.2
139.04022	0.1
145.02969	0.9
145.03740	0.1
146.03305	0.2
149.02536	0.3
150.03246	0.2
151.00391	1.0
151.01436	0.1
151.04034	0.3
152.01180	0.3
153.01976	0.8
155.10828	0.4
157.02628	0.1
159.03105	0.1
159.04510	0.1
161.02481	0.4
163.04039	0.3
163.11153	0.1
164.01201	0.1
165.01952	0.9
165.05615	0.1
166.02638	0.1
167.03563	0.1
168.00681	0.3
169.06578	0.1
172.05310	0.1
173.04634	0.1
173.06137	0.3
175.04054	0.3
176.01241	0.1
177.02025	0.2
177.04080	0.2
177.05553	0.2
178.99898	0.6
179.03500	0.3
180.04243	0.6
181.05101	0.2
187.04059	0.1
191.03510	0.2
191.05557	0.1
195.05121	0.2
195.06697	0.6
199.07681	0.1
199.09695	0.1
201.05667	0.2
201.11382	0.1
203.03442	0.1
203.07126	0.1
204.21240	0.1
205.05074	0.2
207.06729	0.1
209.11877	0.2
215.07123	0.6
225.07695	0.1
227.07240	0.1
241.05148	0.2
243.06561	0.4
255.03119	0.1
259.06088	4.5
260.06589	0.4
266.44159	0.1
267.07321	0.1
269.04648	0.4
271.06149	0.8
272.06363	0.1
283.06061	0.5
285.04037	0.5
287.05582	5.7
288.05908	0.8
289.07150	0.4
301.03830	0.1
301.07288	0.3
331.24979	0.2
345.22928	0.3
346.23273	0.2
373.12875	0.2
384.46912	0.1
432.14340	0.1
433.15265	0.4
479.20743	0.2
497.34842	0.1
567.15149	2.0
568.15289	0.4
577.13757	0.5
595.14594	2.9
595.27814	0.2
596.14618	0.6
658.27350	0.5
659.22815	1.6
659.37219	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.4
61.04789	0.4
61.98828	60.9
63.02390	0.9
65.00323	9.8
69.35936	3.9
73.56411	0.4
83.01393	5.0
93.03471	0.8
107.01401	18.2
108.01743	0.6
109.02965	1.7
110.78098	0.4
117.03495	1.2
119.05034	1.3
121.02950	0.7
125.02469	6.6
131.01424	1.1
133.03009	0.6
134.03709	0.5
135.04533	50.4
135.27904	0.4
136.04889	2.3
137.02455	1.3
139.04037	0.5
145.02968	8.9
146.03294	1.2
151.00381	100.0
152.00732	4.7
159.04530	0.4
161.02437	3.7
161.06183	0.4
163.03996	1.2
165.01929	1.4
169.01413	1.1
175.00369	5.5
177.01909	1.8
193.01411	1.3
205.05045	0.6
217.01440	0.5
265.06906	0.5
269.04474	0.8
271.06073	0.8
287.05594	61.2
288.05927	6.2
307.08243	13.3
307.11774	0.7
308.08603	1.1
319.20340	0.4
326.75177	0.5
417.07239	0.5
433.09256	0.6
449.11072	0.8
459.09390	1.7
595.14551	63.7
596.14856	14.2
596.24518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52085	0.4
57.03456	0.4
59.01374	1.5
61.98831	91.1
62.97610	0.3
63.02403	0.7
63.99270	0.5
65.00326	11.9
65.77191	0.3
67.26232	0.3
69.44545	2.2
69.44972	1.0
71.01394	0.8
72.85091	0.3
75.00886	0.5
78.95937	0.4
79.41408	0.3
80.05115	0.3
83.01389	5.8
85.02982	0.4
87.60187	0.3
88.98846	0.4
89.02428	0.5
93.03491	1.3
96.96027	0.5
97.02957	0.6
98.20632	0.7
101.02454	1.0
103.00409	0.5
103.01952	0.6
107.01402	18.4
108.01738	0.5
108.99370	0.3
109.02970	2.7
113.02522	0.4
117.03464	2.5
119.05041	2.2
121.02972	1.2
122.06134	3.2
123.04552	0.9
125.02467	7.1
131.01421	1.2
133.02992	1.2
134.03760	0.9
134.06152	1.0
135.04543	53.9
136.04872	2.7
137.02481	2.6
139.03938	0.4
145.02985	7.5
146.03308	0.6
150.03145	0.4
151.00391	100.0
152.00719	4.1
152.07179	5.0
159.04622	0.5
160.28651	0.4
161.02437	4.3
161.04573	0.4
161.06108	0.6
163.04047	1.2
164.01219	0.4
165.01965	1.3
169.01411	2.5
171.10225	0.5
175.00395	5.1
177.01942	2.8
180.06747	0.6
187.04100	0.4
188.07204	1.5
193.01489	1.6
217.01482	0.6
225.10284	0.4
243.06577	0.5
245.12831	0.5
253.09889	0.8
267.11359	0.7
269.04553	1.1
271.06171	2.8
272.06613	0.4
277.09860	0.4
279.07806	0.4
285.04031	0.6
285.12570	0.5
287.05606	63.0
288.05945	6.3
289.07205	0.5
295.10898	3.7
307.08142	11.0
307.10663	1.0
308.08624	0.8
311.05890	0.5
323.07568	0.5
331.36658	0.3
339.09760	0.4
375.27518	0.5
433.11255	0.4
449.11118	0.9
459.09244	1.3
460.18814	3.5
476.18216	0.5
504.17776	10.1
536.20300	6.3
595.14594	64.0
596.14941	13.5
609.23651	0.5
627.24591	0.9
659.26508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13847	0.4
55.01877	0.4
57.03453	0.9
59.01377	16.0
60.01726	1.4
61.98829	30.3
63.99253	1.9
65.57046	0.4
69.03492	0.4
69.82545	1.1
69.82959	1.3
71.01386	4.6
72.99332	1.6
73.02972	1.2
75.00876	19.6
76.01237	0.9
77.01300	0.4
83.01405	0.8
85.02962	2.8
87.00885	1.4
88.98802	3.2
89.02460	1.5
93.03486	0.9
95.01408	0.7
95.05038	0.5
97.02981	1.0
99.00929	1.0
101.02467	2.3
107.01426	1.2
108.02217	1.3
109.02929	0.7
113.02468	1.6
115.00422	0.5
116.92835	0.6
117.51470	0.4
121.02964	3.6
123.04557	1.0
124.01665	0.6
125.02483	2.7
129.01929	0.8
135.00902	0.8
137.02429	2.0
137.09738	0.7
139.03979	0.5
145.02972	1.2
148.01686	0.9
151.00378	4.1
151.04002	0.8
155.10806	4.0
156.11104	1.0
161.02423	1.9
163.00426	1.1
163.03993	0.8
164.01166	0.6
165.01903	4.2
166.02396	1.2
173.04576	1.4
175.02423	0.6
175.03995	0.5
177.04053	1.0
178.99899	2.9
179.03448	2.4
180.04216	3.1
181.04933	1.3
187.03899	0.5
191.05650	1.0
194.05896	1.0
195.05054	0.8
195.06636	5.4
196.06915	2.5
199.04008	0.6
199.09821	1.7
200.10033	0.6
209.08226	2.7
210.05341	0.9
210.08575	1.6
211.07654	0.9
212.07881	0.6
215.03387	0.5
225.07672	8.1
225.09746	0.8
226.02722	1.5
226.08043	3.5
227.03505	1.5
228.03836	0.5
241.11212	0.4
243.02985	7.6
243.12523	0.4
244.03493	1.0
249.06133	0.6
254.02168	1.8
255.02959	22.5
256.03296	2.2
271.02444	47.9
272.02872	5.7
273.03870	0.7
283.02438	1.8
284.02789	1.2
285.03738	1.6
287.04712	1.2
289.07199	0.9
299.02002	1.6
300.02740	100.0
301.03204	15.2
323.12402	0.6
365.54431	0.4
373.12317	0.7
387.14563	1.1
388.15054	2.5
417.15802	0.6
432.09845	0.8
433.10474	0.6
435.16647	1.5
436.16785	3.2
445.07919	0.8
449.09482	0.5
532.32562	0.5
593.15454	0.4
595.13062	88.5
596.13373	16.4
615.20349	1.1
657.26343	1.5
657.36969	12.5
658.25909	5.6
658.37378	11.6
659.26672	4.6
659.37769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68475	0.2
57.03443	0.5
59.01375	2.7
60.32049	0.2
61.98827	7.6
63.02393	0.2
65.00328	1.2
69.03454	0.3
71.01388	2.0
71.05019	0.3
78.95898	0.3
81.03467	0.5
83.01398	0.6
83.05034	1.1
85.02974	1.0
87.00896	0.3
88.98816	0.8
89.02438	1.0
93.03467	1.3
94.03773	0.2
95.05043	0.4
97.02957	0.3
99.00883	0.3
99.04546	0.7
101.02460	1.2
107.01391	2.2
108.02199	3.4
109.02979	2.5
111.04506	0.3
113.02460	0.7
113.06094	0.5
116.66664	0.2
116.92854	0.3
117.03503	0.3
119.03571	0.2
119.05062	1.5
121.02961	0.7
121.06615	0.4
123.00949	0.2
123.04518	1.0
124.01704	0.2
125.02452	2.2
133.02963	0.4
134.03680	0.2
135.04539	4.1
135.08162	0.7
136.05385	1.2
137.02464	2.8
137.06075	0.6
138.02814	0.5
139.02946	0.3
141.12865	0.5
143.03522	0.2
145.02957	0.8
149.02518	0.5
149.06099	7.1
150.06877	57.2
151.00389	8.6
151.01450	0.2
151.04047	0.4
151.07196	3.3
152.01189	2.9
153.00815	0.4
153.01942	1.3
159.04573	0.2
161.02504	0.9
161.04558	0.4
161.09741	0.7
163.04042	0.2
163.07661	8.5
163.11304	0.7
164.01277	0.3
164.08438	8.9
165.01945	0.6
165.05608	0.3
165.09079	0.9
165.12857	0.4
166.09554	0.5
167.56662	0.2
169.01450	0.4
171.10284	0.6
175.03996	0.3
175.07661	0.2
176.08398	0.8
177.01924	0.4
177.09206	0.3
178.10002	2.8
179.10786	30.8
180.11108	2.3
181.12390	0.3
183.13901	0.7
185.06078	0.2
185.11932	0.2
187.04039	0.3
191.05502	0.3
193.08707	0.7
205.08681	0.3
207.10294	0.3
209.11841	18.1
210.12178	5.4
211.13522	7.0
212.13675	0.5
225.11369	0.4
227.03502	0.2
227.12868	1.8
228.13211	0.5
235.08286	0.6
253.09357	1.1
255.03050	0.5
255.09630	0.2
257.12845	0.4
271.06079	4.1
271.08765	0.4
272.06473	0.5
284.03220	0.3
285.03876	0.3
287.05606	5.2
288.05951	1.6
289.06631	0.8
294.49631	0.2
328.22186	0.2
359.28030	0.9
369.15564	0.5
447.21600	0.2
462.33490	0.8
463.34198	0.3
477.35941	0.7
480.34540	10.4
481.34863	2.2
493.35443	0.4
494.36188	4.6
495.36868	100.0
496.37216	19.6
612.10620	0.2
639.33075	0.6
657.21558	0.8
657.34869	4.8
657.42914	2.9
658.22986	0.2
658.34460	1.0
658.42755	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43015	0.2
55.01894	0.4
57.03428	0.5
59.01380	4.0
60.62880	0.2
61.98830	3.3
69.03442	0.6
69.39640	0.5
69.40048	1.5
71.01386	3.2
72.99315	0.4
73.02949	0.7
78.65085	0.2
78.95916	0.5
80.02689	0.7
81.03455	1.0
81.03864	0.2
83.01384	0.6
83.05032	3.4
84.02164	0.5
85.02957	1.1
87.00886	1.0
89.02454	2.5
95.05048	0.6
97.02985	0.4
97.06596	0.4
99.04547	0.3
101.02451	3.2
109.02956	0.3
109.06593	0.4
113.02457	1.8
119.03490	0.7
123.04543	0.4
125.02449	2.4
125.06076	0.3
126.90488	0.3
131.03581	0.2
133.05026	0.2
135.08194	0.4
137.02496	0.4
143.03552	0.2
145.05090	0.5
147.11740	0.2
151.03981	0.6
152.99696	0.2
155.10831	0.3
158.93089	0.2
161.02480	0.4
161.04623	1.1
163.11327	2.6
164.11662	0.3
165.12888	1.7
167.03516	0.2
167.10776	0.3
167.14427	0.8
171.10234	1.2
177.09225	0.4
179.05614	0.4
181.12326	0.7
183.13914	6.9
184.14247	0.6
191.10796	0.6
193.12355	2.0
197.11806	0.3
199.13345	0.6
209.07765	0.5
209.11844	77.4
210.12167	5.8
211.13402	100.0
212.13747	8.2
225.11314	0.2
227.12901	11.0
228.13205	0.9
235.08237	3.4
249.14952	1.1
253.09296	8.2
254.09659	0.6
289.07294	0.5
294.79822	0.2
339.18369	0.3
339.57022	0.2
385.23633	0.3
403.24750	0.6
429.21371	0.4
433.33228	0.4
445.20718	0.8
447.22403	4.9
448.22546	0.7
463.21805	0.4
484.47702	0.2
495.36530	0.3
621.32855	0.9
622.33600	0.3
639.33728	0.9
657.33594	0.7
657.43988	1.4
658.42487	0.4
679.28174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
57.03444	0.6
59.01377	3.5
61.98526	0.3
61.98829	4.8
69.03457	0.5
69.06869	0.2
69.53849	1.1
71.01382	3.6
71.05026	0.2
72.99308	0.3
73.02943	0.7
73.72507	0.2
75.00824	0.1
76.67352	0.2
77.49821	0.1
78.95907	0.4
80.02688	0.9
81.03470	1.0
83.01381	0.8
83.05029	3.9
84.02170	0.8
85.02955	0.9
85.85184	0.2
87.00871	0.8
89.02451	2.4
93.03522	0.3
95.05043	0.3
96.95974	0.2
96.96982	0.3
97.02956	0.3
97.06602	0.3
99.04607	0.2
101.02454	2.7
107.05012	0.2
109.02975	0.4
109.06612	0.4
111.08198	0.3
113.02467	1.6
119.03527	0.6
123.04528	0.2
125.02460	2.6
125.06072	0.4
125.09743	0.2
129.22592	0.2
135.08194	0.6
137.02425	0.4
143.03615	0.3
145.05103	0.4
151.04041	0.5
153.01979	0.2
155.10864	0.2
161.02547	0.3
161.04559	1.2
163.11307	3.3
164.11661	0.3
165.12871	2.3
167.10788	0.5
167.14420	0.6
169.12270	0.2
171.10260	1.0
172.10670	0.2
179.05611	0.7
181.12335	0.5
183.13919	6.1
184.14304	0.4
191.10854	0.8
193.12347	1.5
199.13449	0.4
202.43504	0.2
207.10135	0.3
209.11836	88.6
210.12164	6.6
211.13393	100.0
212.13737	8.1
212.15840	0.3
225.11426	0.2
227.12888	14.0
228.13231	0.9
235.08238	3.3
245.08281	0.2
249.15012	1.0
253.09285	8.9
254.09605	0.6
287.05313	0.2
289.07129	0.6
303.68777	0.2
336.49557	0.2
403.24796	0.6
421.25970	0.3
429.21091	0.3
445.20660	1.4
446.21161	0.3
447.22299	3.7
448.22647	0.8
463.21552	0.5
621.32745	0.8
622.33478	0.2
636.83728	0.2
639.33582	0.9
657.33594	0.5
657.43365	1.4
658.43036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77753	0.5
55.01880	0.7
57.03439	2.3
59.01378	63.4
60.99308	2.1
61.98829	47.8
62.27923	0.6
63.44379	0.7
66.91257	0.7
69.03483	1.3
69.23822	3.6
69.24259	4.2
71.01382	10.2
72.99309	3.6
75.00875	54.9
76.01220	0.9
78.95900	0.8
83.01379	1.2
85.02959	8.2
87.00877	4.0
87.04542	1.1
88.98813	9.8
89.02449	5.0
93.03485	1.7
95.01402	1.6
95.05010	0.6
97.02993	0.8
99.00905	4.3
101.02470	4.9
102.40937	0.8
107.01342	0.9
108.02219	1.8
109.02943	1.5
113.02451	7.3
115.00383	1.5
116.92917	1.3
119.03485	1.0
119.05060	1.0
121.02962	9.1
123.04532	0.8
125.02467	3.2
129.01970	1.7
137.02437	1.9
137.09746	1.7
139.11287	5.5
143.04970	0.9
145.02954	1.1
149.99620	0.9
151.00418	4.0
151.04039	1.0
155.10785	17.8
156.11131	0.7
157.01421	1.1
161.02486	3.4
163.00407	0.8
163.04005	1.6
164.01169	1.1
165.01950	14.2
168.00650	1.1
169.12436	0.7
173.04556	2.0
175.02502	1.1
175.03987	0.8
176.04793	1.6
177.04102	3.9
178.99919	2.2
179.03476	9.5
180.04295	11.6
181.04834	1.3
181.07150	2.3
181.08626	0.8
181.12312	3.9
183.10263	6.1
191.05605	2.2
194.05864	4.9
195.03040	0.9
195.04932	1.0
195.06647	20.5
196.07011	1.3
199.03938	0.9
199.09743	7.3
209.08191	12.4
210.05263	3.4
211.07605	9.4
212.07970	1.3
225.07678	34.4
225.11349	2.4
226.02682	0.7
226.08025	2.3
227.03554	1.7
241.10844	2.2
243.02942	7.2
243.12389	2.1
249.06079	4.3
254.02130	1.7
255.02975	22.7
256.03323	1.8
268.70132	0.7
271.02441	48.8
272.03232	1.9
283.02429	4.1
284.02795	6.7
285.04041	4.3
286.04413	3.4
289.07126	0.7
299.01999	1.8
300.02744	100.0
301.03540	4.7
343.11935	1.2
356.41397	0.7
357.09662	1.2
363.16705	2.4
372.12091	1.9
387.09943	1.2
387.14526	13.4
388.14761	1.6
431.09460	2.0
431.19064	1.0
432.09863	1.2
433.16959	1.2
435.16626	12.5
436.16647	1.6
448.09454	2.4
450.40234	0.8
460.97989	0.7
475.18015	1.5
477.16470	1.4
493.19171	3.3
494.19635	1.3
525.21796	1.5
542.95032	0.8
594.15436	11.2
595.13037	95.8
639.24677	2.0
657.25952	55.6
657.37079	46.3
658.26251	9.9
658.37482	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	657.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07833	0.6
52.13705	0.6
57.03437	2.6
59.01377	7.0
61.98830	11.0
69.03444	0.9
71.01376	5.8
71.18411	1.4
78.95905	3.9
81.03443	1.7
83.01392	0.9
83.05006	1.0
85.02945	2.0
87.00890	1.3
89.02445	4.1
95.01391	0.9
96.96966	1.2
97.06589	1.3
100.77757	0.7
101.02448	4.5
109.02966	1.7
111.08192	0.9
113.02464	2.5
116.92873	0.9
123.04542	1.9
125.02450	12.5
129.33354	0.5
137.02464	2.1
145.05133	0.8
146.03802	0.9
151.04007	3.1
161.02501	0.8
161.04555	2.0
163.00357	0.7
163.11211	0.7
164.01129	1.0
165.01942	0.9
165.12857	9.1
167.03563	0.7
167.14435	0.8
169.01430	0.8
175.04077	0.8
179.05653	1.1
183.13905	84.9
184.14221	5.3
193.12325	1.6
207.10222	0.6
209.11847	14.2
210.12144	2.0
211.13394	100.0
212.13733	7.6
227.12877	6.6
228.13214	0.8
235.08212	2.0
253.09285	6.8
289.07162	2.9
290.07434	1.0
291.19476	1.4
416.83234	0.6
445.20566	1.5
447.22421	2.7
463.21744	3.0
639.32922	0.8
657.34906	90.1
658.35291	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36524	0.5
55.01911	0.5
57.03450	2.0
59.01378	8.8
60.35427	0.4
61.98832	23.2
63.02398	0.9
65.00327	11.1
71.01385	4.1
71.65170	0.8
72.99339	0.6
75.00880	0.5
78.95938	0.9
83.01398	6.6
83.05042	1.6
85.02972	1.9
87.04533	1.1
88.98814	1.0
89.02476	1.7
93.03475	1.3
94.06741	0.5
95.05038	0.6
96.96036	1.4
97.02955	0.7
99.00909	0.8
101.02457	3.5
107.01405	19.9
108.99354	0.5
109.02958	3.2
113.02491	2.2
115.04079	0.5
116.92854	0.6
117.03470	0.5
119.03558	0.5
119.05053	2.4
121.02951	1.1
122.06137	1.7
123.04526	2.3
125.02464	16.6
126.02870	1.0
130.19565	0.5
133.02983	1.9
134.03801	0.6
135.04544	63.2
136.04848	3.0
137.02464	3.2
138.01991	1.2
145.02962	1.5
149.02448	0.6
150.03232	0.7
150.06902	2.6
151.00391	100.0
151.07330	0.7
152.00742	4.7
152.07233	0.7
159.04538	0.6
161.02451	7.1
161.04514	0.9
162.03107	0.6
163.04054	0.8
163.11261	1.6
164.01167	0.9
164.08455	0.8
165.01935	2.7
165.05634	0.5
165.12958	0.5
168.00636	0.8
169.01463	3.0
169.12408	0.6
175.00385	1.8
175.04030	0.5
177.01952	1.6
177.09274	0.5
178.99825	0.6
179.03540	1.1
179.10741	1.8
180.11128	0.6
181.12325	1.3
183.13907	1.7
191.05579	0.6
193.12337	0.5
195.06677	0.5
197.11737	0.6
203.03439	0.8
207.10269	1.0
209.11845	27.2
210.12192	3.5
211.13419	21.0
212.13754	1.7
225.11340	8.3
226.11658	0.7
227.12868	3.8
228.13257	0.6
231.10201	0.6
235.08258	1.2
249.11353	0.7
253.09245	3.1
259.06070	0.7
263.12811	0.8
267.12451	2.5
271.06116	7.6
285.03940	0.6
287.05609	60.9
288.05933	7.3
289.07162	1.2
291.12393	5.3
299.10358	0.8
309.13507	2.5
369.11044	0.8
369.15524	13.6
370.15726	1.4
445.20514	0.6
447.22278	0.7
449.10770	0.9
450.10922	0.5
451.34515	0.5
493.35107	1.0
494.35657	2.5
495.18924	1.3
495.36569	5.1
496.37646	0.5
511.92273	0.6
513.44885	0.6
518.03290	0.5
521.16168	0.7
581.23840	1.7
625.22363	0.8
657.21851	19.6
657.42865	8.9
658.21973	4.3
658.41705	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	657.22
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
57.12371	0.3
59.01376	2.0
61.98829	6.4
63.02404	1.1
65.00321	12.1
66.00668	0.5
69.03457	0.4
70.15620	0.6
70.16016	0.6
71.01390	1.0
71.55370	0.2
72.09770	0.3
81.03458	0.9
83.01391	6.8
83.05037	0.4
85.02980	0.7
87.04518	0.8
88.98846	0.7
89.02446	0.4
93.03468	0.7
95.01408	0.3
95.05047	0.4
97.02984	0.4
98.19989	0.4
101.02435	0.8
104.22733	0.3
107.01400	20.0
107.05067	0.4
108.01694	0.6
109.02954	2.6
109.06618	0.4
113.02459	0.4
116.92853	0.5
117.03484	0.3
119.03650	0.3
119.05025	1.8
121.02951	0.5
123.04551	1.9
125.02460	15.1
125.06087	0.3
126.02791	0.6
131.01390	0.5
133.02977	2.1
134.03772	1.2
135.04536	62.3
136.04866	4.1
137.02446	1.1
137.05141	0.4
145.02980	0.6
149.02492	0.7
150.06853	2.0
151.00385	100.0
151.07225	0.6
152.00720	5.6
152.07275	0.2
153.00755	0.4
153.05583	1.0
159.04518	0.4
161.02458	5.2
161.04533	0.3
161.09781	0.3
162.02882	0.4
163.04024	0.3
163.07666	0.6
163.11314	0.7
165.01973	1.3
165.12955	0.2
169.01431	3.1
175.00418	1.5
177.01915	1.8
177.09163	0.2
179.03491	0.3
179.10782	1.3
180.11086	0.8
181.12344	0.9
183.13925	0.6
187.04105	0.3
193.01399	0.7
197.11789	0.3
203.03607	0.3
207.10327	0.4
209.11839	7.7
210.12192	1.0
211.13383	8.7
212.13666	0.5
217.01299	0.3
225.11287	5.5
226.11586	0.3
227.12860	0.7
231.10234	1.0
247.13347	0.4
249.11250	1.4
253.09296	0.8
263.12842	0.8
267.12378	0.5
269.04562	0.7
271.03088	0.3
271.06094	6.3
272.06522	0.8
285.03967	1.6
287.05597	69.6
288.05945	8.2
289.06073	1.4
291.12378	6.9
292.12747	0.8
299.10358	0.3
309.13455	2.1
311.05597	0.4
351.14444	0.5
369.15515	9.4
370.15875	1.3
385.15173	0.5
447.22067	0.4
493.35306	0.9
494.35593	2.5
495.18704	0.9
495.36401	2.3
521.16339	1.5
522.17596	0.4
626.23590	0.3
639.32837	0.3
657.21893	18.8
657.32813	1.0
658.22137	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	657.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77661	0.3
57.03446	4.3
59.01371	2.1
61.98829	3.2
63.02396	0.9
65.00321	3.1
67.01895	0.5
70.61785	1.0
71.01368	0.8
78.01123	0.3
78.95905	0.3
79.05532	0.3
81.03458	2.3
83.01390	5.4
83.12885	0.3
85.02954	0.3
89.02432	0.5
93.03471	2.9
94.03817	0.4
95.01398	0.4
95.05021	0.4
96.96023	0.3
97.02967	0.5
101.02442	0.6
107.01393	4.9
107.05032	0.5
108.02222	0.3
109.02954	1.5
111.00897	0.3
113.02483	0.4
119.05041	3.4
120.04559	0.6
120.41397	0.3
121.02966	0.8
121.05363	0.4
122.03754	0.3
122.06177	1.5
123.00911	0.4
123.04578	1.6
124.01672	1.8
125.02459	50.9
126.02775	1.4
130.04218	0.4
131.01375	0.4
131.05035	0.8
133.02972	1.8
134.03722	0.5
134.06142	0.8
135.04559	2.5
135.06882	0.5
136.07695	3.2
137.02446	2.5
145.02968	1.1
145.06639	0.3
149.02510	1.5
149.06094	0.7
150.03270	0.4
150.06882	4.6
151.00381	16.1
152.01149	3.8
152.07182	0.7
153.01958	3.3
156.05862	0.6
157.06590	1.6
158.03740	1.0
159.04535	1.1
161.04713	0.3
163.00427	0.6
163.07626	1.1
164.01106	0.4
164.08447	0.4
165.01932	1.2
169.01503	0.7
171.04518	0.3
171.11783	0.6
172.05293	2.5
173.06071	5.1
174.06387	0.4
175.00407	0.6
175.04001	1.1
176.01196	1.1
177.01955	0.5
177.05556	4.9
178.05952	0.4
178.99867	5.1
179.10783	2.6
180.00214	0.5
181.01428	0.5
181.12367	0.3
185.06056	0.4
187.03918	0.4
187.07713	0.7
190.05115	0.8
191.07124	0.5
199.07648	1.9
199.09877	0.5
200.04753	0.7
201.05557	5.4
202.06033	0.4
203.03548	0.7
209.11847	1.5
211.13368	1.1
213.05704	0.5
214.06296	0.3
214.12367	3.3
215.07112	6.3
216.07455	0.5
219.06664	0.9
225.05559	0.5
225.11372	0.5
227.08391	0.8
229.05205	0.3
229.09763	1.3
230.11832	1.0
241.05032	1.0
241.09737	2.2
242.10594	4.5
243.06630	8.2
244.06917	0.6
257.12933	23.6
258.13223	2.1
259.06085	58.4
260.06424	5.2
269.01889	0.4
269.04565	5.7
271.06100	9.1
272.06415	0.8
283.06119	2.5
284.06631	0.3
287.05591	100.0
288.05933	10.0
288.09229	0.4
291.12372	1.0
301.11929	29.8
302.12289	4.0
311.05420	0.7
325.07083	0.5
355.13046	1.9
369.15466	1.3
375.27612	1.2
385.15002	0.9
480.34320	1.3
494.35834	0.3
495.36853	8.9
496.37167	1.6
537.32672	0.6
629.22205	1.6
657.21930	7.8
657.35004	1.9
658.22327	1.6
658.33704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.0
59.01377	3.0
59.90162	0.3
61.98829	10.9
62.91132	0.3
63.02398	1.2
65.00321	3.9
66.63884	0.3
67.01865	0.3
69.03457	0.4
71.01377	1.9
71.05039	0.3
78.95910	0.8
81.03468	2.1
83.01389	4.8
83.05024	0.5
85.02952	0.6
87.00883	0.4
87.04520	0.5
88.98822	1.2
89.02436	0.8
93.03470	4.4
95.01430	0.5
95.05025	0.4
96.96009	0.4
97.02962	0.4
98.19878	1.0
99.04503	0.6
101.02460	1.1
105.03487	0.3
107.01402	5.4
107.05058	0.3
108.02225	0.5
109.02979	2.4
111.00908	0.8
113.02471	0.9
116.92869	0.5
117.03451	0.6
119.03582	0.3
119.05039	6.3
120.05360	0.3
121.02975	1.7
122.03832	0.4
122.06152	0.5
123.00934	0.5
123.04527	1.3
124.01669	1.4
125.02461	51.9
126.02801	2.3
126.89290	0.3
126.90272	0.3
131.05028	0.8
133.02962	1.7
134.03683	0.4
135.04521	2.4
136.05353	1.7
137.02469	3.4
137.09727	0.5
139.00386	0.3
139.04039	0.8
145.02989	2.0
145.06651	0.8
147.04529	0.4
148.72690	0.3
149.02460	1.3
149.06096	1.7
149.99509	0.5
150.03210	0.9
150.06885	10.0
151.00383	19.2
151.07213	0.4
152.01201	3.8
152.07228	0.5
152.99669	0.6
153.01947	4.0
156.05865	0.6
157.06606	1.2
158.03764	0.5
159.04521	1.2
161.02412	1.0
161.04579	0.3
161.06020	0.4
163.00398	0.8
163.04002	0.6
163.07687	1.8
163.11343	0.7
164.01106	0.5
164.08405	0.9
165.01941	1.3
165.09227	1.3
166.09599	0.5
167.03543	0.5
168.00735	0.3
169.01411	1.0
171.04550	0.3
171.10306	0.4
172.05339	2.1
173.06100	5.5
175.00276	0.5
175.04027	1.3
176.01109	0.7
176.08322	0.5
177.01990	1.5
177.05571	4.3
177.65315	0.4
178.05914	0.3
178.10014	0.6
178.99884	5.0
179.10803	4.9
181.04991	0.3
181.12383	0.4
187.04128	0.4
187.07706	0.7
191.05637	0.6
197.06079	0.4
199.04004	0.8
199.07721	2.1
200.04785	1.0
201.05582	5.4
202.06088	0.3
202.70801	0.3
203.03534	1.2
207.10281	0.4
209.11835	4.5
210.12192	0.6
211.07709	0.5
211.13467	3.9
215.07146	6.1
216.07620	0.4
219.06602	0.7
225.05539	0.5
225.11337	1.4
227.03648	0.4
227.07237	0.4
227.12920	0.6
229.83499	0.3
235.08386	0.4
241.05049	1.7
241.11104	0.3
242.05513	0.4
243.06618	8.6
244.06949	0.7
255.03047	0.6
259.06100	57.2
260.06424	5.6
269.04507	5.1
270.04819	0.8
271.06104	22.0
272.06506	2.1
283.03125	0.4
283.06030	1.8
284.03174	0.5
285.03931	0.5
287.05603	100.0
288.05936	8.9
289.06760	0.7
291.12497	0.7
301.07187	1.1
311.05615	0.6
325.07205	0.4
328.22092	0.7
369.15573	2.4
385.14969	0.7
427.97079	0.3
449.10944	0.4
451.25336	0.4
480.34552	2.1
493.35495	0.4
494.36719	1.7
495.36978	16.6
496.37442	1.5
535.19629	1.2
594.13458	0.5
595.14630	1.8
597.32953	0.4
625.22742	0.5
629.22241	1.3
639.31805	0.5
656.37585	2.1
657.22034	9.2
657.36743	3.8
658.21625	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.6
58.00616	0.5
59.01381	4.9
61.98828	22.6
69.03463	2.0
69.24966	0.9
69.25368	3.8
70.42180	0.4
71.01384	5.9
72.99329	1.2
75.00880	3.0
78.95906	0.5
81.03460	1.3
83.01404	1.5
85.02967	4.5
87.00887	1.0
87.04522	3.6
88.98824	0.5
89.02457	1.0
93.03461	8.2
95.01408	2.0
95.05050	0.5
96.96018	0.5
97.02950	2.4
98.20753	0.7
99.00897	1.4
101.02467	1.6
107.05067	0.5
108.02184	43.7
109.02977	23.1
110.03297	0.6
113.02454	2.0
116.92911	0.7
117.03465	0.5
119.03580	0.5
119.05041	1.0
121.02984	1.5
122.03706	0.5
123.00899	2.0
123.04544	1.8
124.01673	0.9
125.02491	3.5
129.01967	0.7
133.02950	0.9
135.04587	0.6
135.08226	1.1
137.01471	0.7
137.02461	11.2
137.09746	4.9
139.03972	0.4
139.07669	0.6
139.11322	0.9
141.01987	0.7
145.02989	1.5
149.02496	0.5
149.09749	0.4
149.99568	2.8
150.03009	0.4
151.00420	1.0
151.04045	1.5
151.11243	0.7
152.01166	58.2
153.01961	25.5
153.09296	0.5
154.02336	0.9
155.10794	21.7
156.11087	1.1
161.02499	2.1
163.04042	2.3
165.01935	1.3
165.05553	1.2
168.00624	1.2
169.12350	1.1
175.04047	0.6
177.01884	0.6
177.04045	0.6
179.03543	1.0
179.10765	2.2
181.08736	1.4
183.10274	0.4
187.04041	0.5
189.05623	0.5
191.10797	1.1
195.10298	1.0
199.09740	5.9
200.10161	0.5
205.05128	0.5
213.11345	1.0
223.09744	0.6
225.11328	0.7
241.10759	1.8
243.12276	0.6
255.12396	0.9
258.05228	0.5
271.06119	0.9
273.07608	1.2
283.11884	1.8
285.03989	0.5
289.07034	0.8
295.87839	0.5
297.06149	0.9
299.67712	0.5
316.07376	0.4
375.16702	0.6
385.12939	0.5
435.12814	1.9
453.17538	1.0
469.19455	0.5
495.19778	1.0
497.16641	10.6
498.16992	1.8
525.19354	1.9
639.19305	1.4
657.20282	100.0
658.20624	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72768	0.2
59.01374	1.2
60.24952	0.2
71.01375	2.1
72.36166	0.2
73.02955	0.7
78.09541	0.2
81.03465	0.4
83.01386	0.5
85.02949	1.8
87.00893	0.4
88.92225	0.3
89.02452	0.4
93.03482	0.3
95.01402	0.7
98.20675	0.4
99.00901	0.6
101.02434	1.2
107.05061	0.4
108.02183	44.4
109.02985	16.1
110.03313	0.6
113.02479	1.3
116.28986	0.2
121.02961	0.6
123.00892	0.6
123.04526	0.6
133.02901	0.2
134.75462	0.2
135.00896	0.3
137.02475	0.3
137.50502	0.2
137.91588	0.2
142.74030	0.2
151.00394	0.2
151.04008	1.3
152.01166	43.5
153.01959	18.1
154.02217	0.6
163.03996	1.0
165.01941	1.4
191.17892	0.2
195.03059	0.3
195.04944	0.2
225.03955	0.3
230.53531	0.3
237.06084	0.2
272.06943	0.3
276.36551	0.2
309.12021	0.3
313.09296	1.1
315.07193	100.0
316.07562	8.9
322.67438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06787	0.2
59.01374	0.9
68.99835	0.3
71.01386	1.8
71.21915	0.4
72.60690	0.2
72.99279	0.2
73.02955	0.9
75.00872	0.4
78.95898	0.3
81.03480	0.5
85.02951	1.6
87.00884	0.4
87.38914	0.2
89.02438	0.5
92.74146	0.2
93.03464	0.8
95.01397	1.3
96.96021	0.3
99.00890	0.6
101.02435	1.2
108.02180	45.3
109.02989	14.9
110.03320	0.5
111.00887	0.3
113.02423	1.1
119.05048	0.9
121.02961	0.7
123.00897	0.9
123.04544	0.9
125.02433	0.3
129.01953	0.3
133.02963	0.7
134.03755	0.6
135.00940	0.3
135.04547	0.5
137.02472	0.9
140.44324	0.2
151.03998	1.3
152.01166	42.5
153.01961	17.2
153.02936	0.1
154.02295	0.8
161.02498	1.3
163.04021	2.2
165.02010	1.2
171.62125	0.2
177.01974	0.3
177.03958	0.3
179.03496	0.6
184.56534	0.2
191.01999	0.3
191.05626	0.5
193.05045	0.6
195.03201	0.4
195.05113	1.1
225.04060	0.5
279.08270	0.2
295.10596	0.3
309.11893	0.5
313.09540	0.2
315.07193	100.0
316.07523	8.7
317.07684	0.3
339.00769	0.2
341.08737	1.7
351.19891	0.2
548.28149	0.3
607.34674	0.2
650.68005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85394	0.1
59.01377	0.6
61.98829	100.0
62.98537	0.2
71.01389	0.3
73.02937	0.2
83.01416	0.1
85.02985	0.2
88.98838	0.3
89.02458	0.2
93.03462	1.0
98.19908	0.1
101.02449	0.2
109.02987	0.1
113.02444	0.1
117.03480	1.1
118.03819	0.3
119.05041	0.2
123.04497	0.2
125.02429	0.5
137.02461	1.5
145.02966	3.3
146.03297	1.5
151.00334	0.2
151.04015	0.2
161.02538	0.2
163.04031	0.4
165.01939	0.2
167.03586	0.1
175.04062	0.1
175.97322	0.1
179.03630	0.1
255.03128	0.1
271.06085	0.1
283.02386	0.1
284.03064	0.1
285.03900	0.1
289.07193	0.2
495.16458	0.1
500.77994	0.1
593.13177	0.1
596.28845	0.2
643.45990	0.1
656.19189	0.4
656.34698	0.1
657.19812	0.2
657.34802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.2
61.98827	100.0
69.06432	0.2
70.61903	0.2
70.93706	0.3
70.94041	0.2
77.77898	0.1
78.95899	2.1
85.76944	0.2
88.02064	0.2
89.74908	0.2
91.92728	0.1
95.98418	0.1
96.96988	0.3
123.04515	0.2
125.02462	0.5
126.02853	0.1
130.73662	0.1
137.02493	0.2
140.92752	0.2
151.04076	0.3
152.99625	1.2
209.11887	0.9
211.13441	0.5
227.12996	0.3
277.21512	0.2
281.67474	0.2
289.07288	0.3
293.21292	0.5
363.12079	0.4
656.33807	0.3
657.33942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98828	100.0
62.98540	0.2
78.95908	1.7
96.96951	0.2
98.19789	0.3
104.93018	0.1
107.70615	0.1
117.94636	0.1
121.02988	0.3
125.02445	0.2
152.99605	0.9
179.49905	0.1
182.51643	0.1
184.90428	0.1
207.10272	0.2
207.82866	0.1
209.11877	0.5
211.13480	0.3
219.36560	0.1
225.11404	0.3
227.12920	0.2
230.44525	0.2
261.06061	0.1
363.12473	0.3
381.13684	0.1
429.20370	0.2
491.54492	0.1
656.34106	0.5
657.33960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72768	0.2
59.01374	1.2
60.24952	0.2
71.01375	2.1
72.36166	0.2
73.02955	0.7
78.09541	0.2
81.03465	0.4
83.01386	0.5
85.02949	1.8
87.00893	0.4
88.92225	0.3
89.02452	0.4
93.03482	0.3
95.01402	0.7
98.20675	0.4
99.00901	0.6
101.02434	1.2
107.05061	0.4
108.02183	44.4
109.02985	16.1
110.03313	0.6
113.02479	1.3
116.28986	0.2
121.02961	0.6
123.00892	0.6
123.04526	0.6
133.02901	0.2
134.75462	0.2
135.00896	0.3
137.02475	0.3
137.50502	0.2
137.91588	0.2
142.74030	0.2
151.00394	0.2
151.04008	1.3
152.01166	43.5
153.01959	18.1
154.02217	0.6
163.03996	1.0
165.01941	1.4
191.17892	0.2
195.03059	0.3
195.04944	0.2
225.03955	0.3
230.53531	0.3
237.06084	0.2
272.06943	0.3
276.36551	0.2
309.12021	0.3
313.09296	1.1
315.07193	100.0
316.07562	8.9
322.67438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
59.01375	11.6
61.98825	100.0
62.98526	0.2
69.03461	0.2
69.45978	1.2
70.36957	0.1
70.92088	0.1
71.01376	1.1
72.99319	0.3
75.00871	5.0
75.01301	0.3
82.28193	0.1
83.01415	0.2
85.02957	0.6
87.00869	0.3
88.98807	0.5
89.02456	0.7
93.03470	0.5
94.38487	0.2
98.20638	0.3
98.74019	0.1
99.00877	0.3
101.02465	0.6
104.66408	0.2
109.02986	0.2
111.00882	0.2
111.12350	0.1
113.02435	0.4
116.92876	0.6
117.03485	0.2
119.03548	0.3
119.05054	0.3
121.02967	0.3
125.02456	0.4
129.01942	0.2
137.02460	0.5
137.09740	0.3
151.00398	0.4
151.04030	0.2
155.10765	2.4
159.04489	0.2
161.02444	0.4
163.00407	0.2
163.03952	0.2
165.01923	3.4
165.03271	0.2
168.00621	0.2
169.06584	0.3
173.04570	0.3
176.04852	0.4
177.04007	0.5
179.03506	2.2
180.04289	2.8
181.12375	0.1
183.04578	0.2
185.06161	0.2
187.03879	0.2
189.05513	0.2
191.05681	0.3
191.07153	0.2
193.05067	0.2
194.05844	1.3
195.06607	4.7
195.08308	0.3
199.09726	1.2
200.09810	0.1
209.08180	3.0
210.05284	1.0
211.04027	0.3
211.07701	0.4
213.05573	0.4
214.02704	0.2
218.06026	0.1
222.62396	0.2
225.07671	9.1
227.01630	0.2
227.03430	0.9
229.05009	0.3
239.03426	0.2
241.05042	0.2
241.10812	0.4
243.02962	0.3
255.02951	7.2
256.03418	0.6
257.04422	0.4
271.02386	0.4
283.02463	19.7
284.02979	3.3
285.04019	13.8
286.04340	1.4
299.02017	0.8
301.03577	0.5
327.05194	0.2
357.09854	0.3
372.12186	0.6
387.14447	3.6
430.09018	5.0
431.09726	4.3
432.10281	0.5
434.15350	0.2
435.16519	4.1
446.08450	0.4
447.09286	4.9
448.09695	0.6
475.17288	0.2
516.35834	0.2
525.21918	0.3
593.15070	28.7
593.78296	0.2
594.15448	5.9
596.20520	0.2
655.35175	0.7
656.25134	1.0
656.36169	1.1
657.25983	2.5
657.37128	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	655.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01382	6.2
61.98831	48.7
63.02401	0.5
65.00330	4.6
68.76902	0.4
69.03439	0.6
70.03800	0.4
71.01382	5.5
71.65121	0.6
72.99319	0.5
73.02959	1.3
75.00878	0.7
78.95898	2.2
81.03461	1.2
82.71892	0.4
83.01405	3.1
83.05034	3.1
85.02964	1.9
87.00883	0.9
88.98822	1.2
89.02459	3.2
93.03457	1.5
95.01419	0.9
95.05051	0.9
96.96045	0.5
97.02943	1.0
97.06585	0.6
98.56544	0.4
99.04516	0.8
101.02444	3.5
107.01409	8.0
107.04968	0.5
108.02200	1.4
109.02980	3.0
109.06609	1.5
113.02454	2.7
116.92894	1.5
117.03479	1.3
119.03550	1.3
119.05045	2.3
121.02972	1.0
121.06638	0.5
122.03783	0.7
123.04563	4.8
124.01694	0.5
124.04900	0.6
125.02457	7.9
125.09742	1.1
126.02786	0.5
127.11251	0.5
133.02977	0.6
134.03712	0.6
135.04539	24.1
135.08138	1.0
136.04951	1.8
137.02480	2.3
137.06071	1.0
137.09750	0.7
139.04073	0.5
144.92674	0.5
145.02969	4.8
149.02435	0.7
149.06097	3.3
150.06883	47.7
151.00391	39.4
151.04065	1.2
151.07179	2.7
152.00824	1.6
152.99620	1.1
153.01942	1.6
153.05614	4.1
161.02510	2.3
161.04543	0.8
161.06088	0.5
161.09711	0.9
163.04021	1.1
163.07658	8.4
163.11325	3.4
164.01155	0.9
164.08423	6.4
165.01971	1.3
165.09027	0.5
165.12878	1.8
169.01443	1.3
171.10298	2.9
172.10657	0.6
175.00362	1.8
175.04024	0.9
176.08496	0.6
177.01994	1.2
177.09189	0.8
178.09996	1.8
179.10793	30.4
180.11108	2.4
181.12325	1.0
184.23772	0.5
185.11763	1.0
191.10826	1.1
193.01384	0.6
193.08873	0.5
199.13297	0.6
207.10265	4.2
209.11841	80.5
210.12177	6.2
211.13466	4.6
225.11287	1.9
227.12924	4.7
235.08264	1.4
253.09268	3.7
265.14267	0.7
269.04568	0.8
271.06082	4.5
272.06342	1.1
285.04025	1.5
286.04471	0.9
287.05606	32.3
288.06012	2.8
289.07333	0.6
289.10742	0.5
320.19916	2.2
335.22256	1.9
364.22476	4.0
365.22360	0.7
367.13937	1.7
383.22461	0.7
401.23297	2.3
407.07639	0.7
419.24149	0.7
445.20959	1.4
449.10333	0.7
449.32611	0.8
478.26172	0.7
478.32935	6.1
479.33167	1.1
492.34583	4.1
493.35330	100.0
494.35666	19.8
611.21399	1.0
617.35248	0.7
637.32129	5.0
638.33063	1.6
655.20001	3.5
655.32318	4.6
655.40503	6.1
656.20703	1.3
656.32391	0.9
656.42041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
59.01382	6.2
61.98831	48.7
63.02401	0.5
65.00330	4.6
68.76902	0.4
69.03439	0.6
70.03800	0.4
71.01382	5.5
71.65121	0.6
72.99319	0.5
73.02959	1.3
75.00878	0.7
78.95898	2.2
81.03461	1.2
82.71892	0.4
83.01405	3.1
83.05034	3.1
85.02964	1.9
87.00883	0.9
88.98822	1.2
89.02459	3.2
93.03457	1.5
95.01419	0.9
95.05051	0.9
96.96045	0.5
97.02943	1.0
97.06585	0.6
98.56544	0.4
99.04516	0.8
101.02444	3.5
107.01409	8.0
107.04968	0.5
108.02200	1.4
109.02980	3.0
109.06609	1.5
113.02454	2.7
116.92894	1.5
117.03479	1.3
119.03550	1.3
119.05045	2.3
121.02972	1.0
121.06638	0.5
122.03783	0.7
123.04563	4.8
124.01694	0.5
124.04900	0.6
125.02457	7.9
125.09742	1.1
126.02786	0.5
127.11251	0.5
133.02977	0.6
134.03712	0.6
135.04539	24.1
135.08138	1.0
136.04951	1.8
137.02480	2.3
137.06071	1.0
137.09750	0.7
139.04073	0.5
144.92674	0.5
145.02969	4.8
149.02435	0.7
149.06097	3.3
150.06883	47.7
151.00391	39.4
151.04065	1.2
151.07179	2.7
152.00824	1.6
152.99620	1.1
153.01942	1.6
153.05614	4.1
161.02510	2.3
161.04543	0.8
161.06088	0.5
161.09711	0.9
163.04021	1.1
163.07658	8.4
163.11325	3.4
164.01155	0.9
164.08423	6.4
165.01971	1.3
165.09027	0.5
165.12878	1.8
169.01443	1.3
171.10298	2.9
172.10657	0.6
175.00362	1.8
175.04024	0.9
176.08496	0.6
177.01994	1.2
177.09189	0.8
178.09996	1.8
179.10793	30.4
180.11108	2.4
181.12325	1.0
184.23772	0.5
185.11763	1.0
191.10826	1.1
193.01384	0.6
193.08873	0.5
199.13297	0.6
207.10265	4.2
209.11841	80.5
210.12177	6.2
211.13466	4.6
225.11287	1.9
227.12924	4.7
235.08264	1.4
253.09268	3.7
265.14267	0.7
269.04568	0.8
271.06082	4.5
272.06342	1.1
285.04025	1.5
286.04471	0.9
287.05606	32.3
288.06012	2.8
289.07333	0.6
289.10742	0.5
320.19916	2.2
335.22256	1.9
364.22476	4.0
365.22360	0.7
367.13937	1.7
383.22461	0.7
401.23297	2.3
407.07639	0.7
419.24149	0.7
445.20959	1.4
449.10333	0.7
449.32611	0.8
478.26172	0.7
478.32935	6.1
479.33167	1.1
492.34583	4.1
493.35330	100.0
494.35666	19.8
611.21399	1.0
617.35248	0.7
637.32129	5.0
638.33063	1.6
655.20001	3.5
655.32318	4.6
655.40503	6.1
656.20703	1.3
656.32391	0.9
656.42041	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03447	1.3
59.01373	8.2
61.98829	56.4
65.00322	0.8
69.03461	0.6
71.01382	6.0
71.05012	0.5
71.61126	0.6
72.99303	1.1
73.02946	1.2
78.95900	4.0
81.03466	1.2
83.01387	1.3
83.05026	1.6
85.02959	2.1
87.00896	1.1
88.98808	1.2
89.02449	2.9
93.03461	2.3
94.85345	0.4
95.05045	1.0
96.08194	0.8
96.96022	0.6
96.96987	0.7
97.02963	1.6
97.06578	0.6
99.04499	0.8
99.83327	0.4
101.02460	3.5
107.01407	1.7
107.05087	0.6
108.02173	3.1
109.02982	3.1
109.06611	4.3
111.08163	0.5
113.02460	1.9
116.92859	1.8
117.03488	1.8
119.03490	0.5
119.05067	1.2
121.02971	1.3
121.06627	0.8
122.03749	0.9
123.04540	5.2
123.08196	0.8
124.01659	0.6
125.02473	3.9
125.09749	0.8
131.03502	0.6
134.03734	0.8
135.04546	4.1
135.08127	0.7
136.05292	0.8
137.02467	4.3
137.03462	0.7
137.06096	1.5
141.12854	1.1
145.02975	4.4
149.02480	1.2
149.06099	3.1
150.06883	48.0
151.00372	5.0
151.04047	1.6
151.07280	2.2
152.01184	3.4
152.99614	1.7
153.01874	1.1
153.05614	2.5
160.01677	1.1
161.02457	1.7
161.04590	1.1
161.06029	0.6
161.09708	0.8
163.04004	1.0
163.07668	6.7
163.11298	3.5
164.08444	7.5
165.01918	0.7
165.09149	0.6
165.12862	1.1
167.08302	5.2
171.10292	3.5
175.04086	1.1
176.08372	0.7
177.09261	0.6
178.10019	1.4
179.05536	0.7
179.10796	30.9
180.11122	2.3
181.12411	1.1
183.13925	1.9
185.11830	2.1
207.10274	11.3
208.10626	0.9
209.11829	23.6
210.12186	2.0
211.13420	13.3
212.13698	0.9
221.11752	0.7
225.11292	6.7
226.11691	1.0
227.12880	2.9
235.08195	1.3
247.13374	2.0
251.12959	0.8
253.09210	2.5
265.14529	0.7
269.04517	1.4
271.06067	3.5
285.04037	22.5
286.04419	2.2
287.05627	3.3
289.07156	0.8
291.12585	0.7
306.18472	2.6
321.20715	2.4
339.23233	0.9
350.20682	0.6
357.26846	0.6
359.27835	0.7
365.21277	0.7
373.23657	0.9
383.22266	2.4
391.24869	1.0
401.23331	5.8
402.23624	1.0
407.07541	2.5
419.24179	2.6
435.07135	1.4
446.51062	0.5
449.32251	1.0
455.27917	1.3
457.27814	1.8
461.20438	1.6
475.34152	0.9
478.33102	5.1
479.34091	0.8
487.21939	2.7
492.34592	2.9
493.35315	100.0
494.35657	20.0
529.11255	0.6
609.32599	0.9
619.31506	1.7
637.32275	12.6
638.32312	3.1
655.31824	12.5
655.41425	4.8
656.32013	2.9
656.41492	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.8
59.01376	6.2
61.98829	100.0
63.02401	0.8
64.45868	0.6
65.00327	4.5
71.01385	5.1
72.99319	1.2
73.02966	1.7
75.00902	1.1
78.95907	34.4
81.03489	2.1
83.01388	4.0
83.05024	3.1
84.02174	0.8
85.02978	1.5
87.00881	0.8
88.98827	2.0
89.02461	2.8
93.03465	10.0
95.01385	0.6
95.05063	1.4
96.96964	2.8
97.02992	1.8
99.00897	0.6
101.02455	3.2
107.01400	7.1
108.02249	1.1
109.02956	3.5
109.06619	0.7
111.04527	0.9
113.02487	2.4
116.92874	3.0
117.03475	5.3
119.05037	6.5
121.02992	2.7
121.06632	2.2
122.03764	1.3
123.04543	2.5
123.08199	1.1
124.01640	0.9
125.02463	19.4
125.07979	0.5
125.09779	2.2
131.05086	0.6
133.02945	1.0
135.04541	18.0
135.08185	1.1
136.01752	0.7
136.05324	25.5
137.02460	20.3
137.05724	0.9
137.09798	0.6
138.02832	0.8
139.04094	0.6
145.02969	16.5
145.04120	1.0
146.03304	0.7
147.08138	1.3
148.05272	1.1
149.02496	1.7
149.06091	6.6
150.03288	0.7
150.06888	14.8
151.00383	30.6
151.04045	1.5
152.01035	2.4
152.99602	22.0
153.00800	1.3
153.02037	1.9
160.01720	0.6
161.02519	1.6
161.04617	1.2
161.06052	0.6
162.06941	1.6
163.04051	2.5
163.07661	3.7
163.11307	3.6
164.01204	0.8
164.08481	2.9
165.01991	2.3
165.09222	38.1
165.12932	2.1
166.09605	2.5
167.03583	1.6
169.01424	0.7
171.10258	3.7
173.04730	0.8
173.06160	2.0
175.00388	1.2
175.04083	1.0
176.01199	0.7
177.02003	2.1
177.04221	0.9
177.05682	1.4
177.09210	1.1
178.99937	2.4
179.03534	2.2
179.10820	6.0
181.12379	0.7
185.11829	1.5
191.05690	0.8
191.10767	0.8
193.01579	0.8
201.05685	1.6
207.10339	1.4
209.11832	51.9
210.12202	4.0
211.13490	2.2
215.07263	2.4
225.11423	1.1
227.12849	3.9
228.13278	0.7
241.05090	0.8
243.06726	1.8
253.09343	0.8
255.02995	0.8
259.06113	19.0
260.06601	2.1
269.04678	2.4
271.03009	1.4
271.06070	19.0
272.06580	1.9
283.06244	1.4
285.04214	2.2
287.05597	43.3
288.05920	5.4
289.07227	0.8
300.02863	2.5
301.03677	1.4
306.18372	0.7
313.07291	0.8
321.20935	1.0
327.21747	22.0
328.22232	2.7
350.21127	1.8
355.25330	1.1
363.12131	5.1
373.25906	6.7
374.26563	0.9
375.27728	0.8
381.13437	1.8
395.14682	4.3
413.15930	1.3
448.32181	0.8
449.33087	1.7
463.34576	2.3
464.35101	0.6
475.30353	5.7
476.30576	1.3
478.33261	1.9
492.31046	1.5
493.21683	1.1
493.22931	1.3
493.32214	24.5
494.32599	3.5
507.33981	1.2
535.32239	1.9
583.22095	0.8
591.25775	10.2
591.34552	0.8
592.26526	2.0
593.13098	3.4
593.21655	0.8
611.21411	0.7
619.31879	0.8
623.28534	15.0
624.28613	3.0
637.30798	3.6
638.34149	0.8
655.20227	5.5
655.37555	83.3
656.21539	1.2
656.37799	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	655.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.5
59.01380	8.3
61.98832	12.5
69.03456	1.9
69.92199	3.4
71.01391	6.3
71.05047	0.6
72.73912	0.5
72.99281	0.6
73.02936	1.2
78.95918	0.9
81.03467	0.7
82.46497	0.5
83.05025	0.8
85.02956	2.3
87.00892	1.7
89.02448	3.3
95.05031	1.8
97.02979	0.8
97.06596	4.8
101.02457	5.9
103.27078	0.6
109.06600	2.1
113.02452	2.3
119.03523	1.3
123.04527	0.8
125.02452	2.2
133.10213	0.7
134.06142	0.7
137.12657	0.6
145.03145	0.6
145.05093	1.0
149.09737	1.0
151.11308	14.4
161.04601	1.6
163.11316	0.7
167.10751	2.3
169.12358	67.5
170.12695	4.1
179.14424	2.4
183.13901	0.7
195.10246	1.2
195.13914	6.4
205.12340	5.8
207.10277	4.1
209.11807	4.1
211.13417	8.4
213.11324	9.3
223.13411	29.4
224.13759	2.3
225.11316	3.5
235.08276	1.7
253.09244	4.0
341.31299	0.8
359.60513	0.7
383.22501	1.1
401.23410	1.0
431.19202	2.2
443.19250	0.6
449.20190	6.2
459.22198	1.3
503.30466	1.0
637.32147	3.8
655.33368	100.0
656.33655	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	655.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01378	3.3
61.98830	7.1
63.02386	0.3
65.00327	3.2
69.03454	0.3
69.63970	0.2
71.01379	3.0
71.05017	0.2
71.65279	0.3
72.99307	0.5
73.02954	0.8
75.00874	0.2
78.95897	0.3
79.05559	0.2
80.02666	0.8
81.03462	1.1
83.01387	2.2
83.05029	4.1
84.02175	0.3
84.05368	0.3
85.02968	1.2
85.88829	0.2
87.00872	0.6
88.98817	0.6
89.02455	1.4
93.03464	2.0
95.01425	0.3
95.05035	0.8
96.59581	0.2
97.02952	0.7
97.06609	0.4
99.00896	0.4
99.04567	0.2
99.92587	0.2
100.64398	0.2
101.02461	2.1
101.03102	0.2
105.01968	0.2
107.01398	5.2
107.05046	0.4
108.02190	0.3
109.02979	1.1
109.06602	0.7
111.00874	0.3
111.04527	0.6
113.02463	1.6
116.92873	1.0
117.03490	1.1
119.03505	0.5
119.05036	0.8
121.02976	1.0
121.06616	0.9
122.03740	0.6
123.04531	0.7
123.08187	0.7
124.01685	0.2
125.02471	3.3
125.06100	0.6
125.09724	0.6
131.01408	0.2
133.02997	0.3
134.03748	0.3
135.04539	16.3
135.08157	0.8
136.05331	9.9
137.02463	3.1
137.05750	0.4
137.09753	0.2
138.03114	0.2
139.11279	0.2
143.03520	0.3
145.02975	3.3
145.05080	0.3
146.03281	0.2
147.08162	0.4
148.05400	0.4
149.06134	1.7
149.09764	0.3
150.06882	3.0
151.00386	25.0
152.00691	1.0
155.10738	0.2
157.12384	0.2
161.02501	1.3
161.04611	0.8
161.05922	0.2
161.09735	0.3
162.06856	0.4
163.04057	0.4
163.07642	1.1
163.11292	3.5
164.01131	0.2
164.04803	0.3
164.08429	0.5
165.01912	0.7
165.09225	14.4
165.12857	2.1
166.09543	0.6
167.03500	0.2
169.01425	0.5
171.10303	2.6
171.94576	0.2
175.00410	0.6
175.03944	0.2
176.39398	0.2
177.01944	0.6
177.09122	0.3
179.05635	0.3
179.10849	1.4
181.12349	0.5
183.13940	0.4
185.11859	2.3
186.12090	0.2
191.03593	0.2
191.10756	0.8
193.01418	0.4
197.11897	0.3
198.96742	0.2
201.11325	0.9
203.14412	0.2
205.12306	0.2
207.10246	1.5
209.11833	100.0
210.12170	7.7
211.13390	2.6
214.12170	0.2
215.12921	0.2
217.01442	0.2
225.11356	0.7
227.12871	5.9
227.15088	0.3
228.13226	0.3
231.13799	0.2
235.08234	1.5
247.13426	1.4
249.15001	0.6
253.09277	4.2
259.06052	0.2
261.18466	0.2
265.14459	0.3
269.04541	0.5
271.06116	2.0
272.06549	0.3
287.05597	21.4
288.05920	2.3
291.19638	0.4
307.19199	0.2
309.20590	0.3
327.21747	8.0
328.22180	0.8
329.27200	0.3
339.23462	0.2
357.24423	0.2
359.01749	0.2
367.13916	1.0
373.24265	0.3
383.22241	0.7
391.25089	0.3
401.23331	1.6
402.23602	0.2
407.07877	0.2
419.24359	1.2
420.24500	0.2
435.07123	0.3
445.20880	1.8
446.21030	0.3
449.10849	0.3
449.32336	0.8
450.32599	0.2
475.30563	2.6
476.30954	0.4
478.32797	0.2
492.30731	0.6
493.31168	10.6
494.31427	1.7
507.33264	0.4
519.15021	0.2
519.22546	0.3
535.32227	0.3
609.33112	0.2
611.21362	0.4
613.02197	0.2
619.31384	0.4
637.22449	0.1
637.32361	4.4
638.32629	1.0
655.19781	2.2
655.37189	29.3
656.20044	0.5
656.37482	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	655.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00447	0.4
57.03434	1.1
58.00592	0.5
59.01382	5.8
60.99290	0.6
61.98830	44.5
63.99259	0.5
65.00327	3.4
69.03465	0.8
71.01385	4.8
71.05025	0.5
71.59557	0.7
73.02959	1.3
75.00876	0.7
78.51803	0.5
78.95907	74.6
80.02251	0.4
80.02689	1.6
81.03461	1.9
83.01395	2.2
83.05035	6.6
85.02959	1.9
87.00874	0.8
88.98813	3.1
89.02464	3.1
93.03463	6.6
95.05048	0.6
96.96020	1.3
96.96964	6.7
97.02964	0.8
101.02463	2.7
106.04239	0.5
107.01409	6.5
108.02213	1.3
109.02988	2.3
109.06590	1.0
111.04520	0.8
111.08175	0.9
113.02453	1.7
116.92895	1.2
116.95177	0.5
117.03471	1.6
119.03527	0.5
119.05023	3.5
121.02963	2.4
121.06620	0.6
122.03729	0.6
123.04528	1.1
123.08165	0.8
124.01692	1.4
125.02458	8.9
125.09715	0.8
133.02985	1.7
134.03706	0.6
134.98523	1.2
135.04543	14.8
135.08186	0.8
136.05330	10.5
137.02460	14.3
137.05727	0.5
137.09676	0.8
138.02783	0.8
139.04044	1.6
141.09206	0.6
145.02963	6.9
147.08089	0.7
149.02443	0.6
149.06123	2.4
150.06870	8.2
151.00386	27.0
151.04031	1.4
152.00917	1.8
152.99603	43.3
154.00049	0.8
161.02463	8.0
161.04594	1.0
161.06081	0.8
162.02809	1.0
162.06879	1.0
163.00389	0.6
163.04045	1.4
163.07681	2.6
163.11308	6.0
164.00977	0.6
164.08432	1.0
164.11649	0.6
165.01933	1.4
165.09213	11.9
165.12842	3.3
166.09550	0.8
168.00635	0.6
169.01353	0.6
171.10292	2.5
175.00378	0.8
177.02003	1.5
177.09235	0.8
178.10019	0.5
178.99823	0.6
179.03491	1.4
179.05606	0.6
179.10814	3.1
181.12338	1.0
183.13824	0.5
185.11879	1.0
185.29372	0.5
191.03476	0.6
191.10802	1.3
199.07782	0.7
199.09712	0.5
200.98035	0.6
201.05609	0.6
207.10287	1.4
209.11836	100.0
210.12170	6.2
211.13449	1.5
225.11310	0.7
227.12874	8.2
235.08363	0.8
243.06824	0.8
245.08440	0.6
253.09338	1.5
259.06113	4.9
260.06335	0.7
269.04483	1.1
271.06116	10.0
271.08856	0.9
272.06390	1.0
285.03918	1.1
287.05594	26.1
288.05865	2.6
289.06967	0.7
301.03503	0.5
321.20639	0.6
327.21790	7.6
328.21890	1.0
349.23938	2.4
355.24896	0.9
363.07928	1.0
363.12158	11.4
364.12576	0.7
367.13947	1.9
371.24545	2.5
372.25018	0.5
373.26044	5.5
381.13345	2.8
383.22372	0.8
395.14713	9.8
396.15424	1.0
401.23242	1.1
413.15842	2.1
435.06940	0.7
445.20618	0.7
447.27014	0.5
449.32376	0.7
463.34201	0.9
475.30936	1.8
478.33115	1.1
492.30356	0.8
493.31857	8.8
493.35468	4.1
494.31494	1.1
505.28317	0.9
528.39612	0.6
535.31378	1.7
563.68182	0.7
591.25800	20.0
592.26086	4.5
623.28534	38.9
624.28949	7.2
637.31024	3.3
638.32214	1.5
655.19989	3.1
655.31622	21.2
655.36890	20.7
656.20367	0.8
656.31830	4.9
656.37360	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	655.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30638	0.3
51.33284	0.4
52.87966	0.4
55.01880	2.7
57.03437	2.2
58.00600	0.7
59.01374	16.7
69.48711	3.4
71.01382	37.8
72.99291	1.3
73.02946	12.5
75.00869	1.1
80.92202	0.4
83.01396	5.7
85.02956	17.8
86.00091	0.6
87.00885	1.9
89.02453	4.4
95.01384	3.1
96.84470	0.4
97.02917	0.7
99.00877	5.2
101.02451	29.2
102.02803	0.5
107.05021	1.6
113.02461	15.7
114.02729	0.6
119.03467	1.1
125.02448	1.1
129.01945	1.1
143.03514	1.3
151.04037	0.9
159.03020	3.2
161.04568	15.3
162.04848	0.5
179.05617	0.9
179.85223	0.4
191.05659	1.1
249.52887	0.5
269.10278	10.5
270.10535	1.0
305.09286	0.5
311.09552	0.9
313.09247	100.0
314.09583	9.1
335.56613	0.5
341.10907	7.7
342.11133	0.6
391.03662	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.21
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
57.03450	2.5
58.00598	0.5
59.01088	1.0
59.01376	12.7
69.03460	0.5
69.79497	3.1
71.01383	32.7
72.01717	0.7
72.99302	1.4
73.02543	0.6
73.02951	13.4
83.01388	5.7
85.02954	18.8
86.00129	0.7
87.00888	1.8
89.02441	2.9
95.01398	2.0
97.02963	0.7
99.00887	5.5
101.02453	25.5
102.02794	1.1
107.05000	0.6
111.00903	0.6
113.02464	13.2
114.02796	0.7
114.18418	0.5
125.02459	0.7
125.41488	0.5
129.01971	0.7
143.03506	1.2
154.49544	0.5
159.02988	3.9
161.04559	15.6
163.04100	0.6
191.01947	0.7
191.05615	0.7
253.52441	0.5
269.10294	10.4
270.10678	1.4
286.83456	0.5
311.09793	0.5
313.09274	100.0
314.09634	10.2
332.50723	0.6
341.10870	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1887
Annotation	Prunose II
Peak:m/z	Relative Intensity
57.03432	0.2
59.01375	4.6
59.75588	0.1
61.98824	4.2
65.00317	0.4
65.39407	0.2
69.27818	0.1
69.47853	0.4
69.48288	0.7
71.01385	0.9
73.02940	0.5
81.39616	0.1
83.01389	0.6
85.02965	0.4
87.00870	0.7
88.98767	0.2
89.02446	0.6
89.03972	0.3
93.03464	1.3
95.01421	0.1
97.02924	0.2
98.20656	0.3
100.13314	0.1
101.02438	0.9
107.01394	0.6
109.02961	0.3
113.02470	0.7
117.03474	30.8
118.03802	1.5
119.03577	0.2
119.05029	4.0
120.05317	0.2
121.02960	0.3
123.04519	0.2
125.02445	0.8
135.04552	1.3
137.02454	1.4
143.03491	0.2
145.02963	100.0
146.03305	5.4
147.04460	0.2
149.00648	0.2
151.00375	2.2
161.02402	0.2
161.04474	0.2
163.04019	7.1
164.04343	0.5
175.00452	0.2
180.25301	0.1
187.04022	0.3
205.05086	0.3
217.04857	0.1
221.67355	0.2
287.05588	1.8
288.05930	0.3
289.07141	0.1
301.03400	0.2
307.08154	0.4
323.09854	0.3
341.10800	0.6
349.09244	0.4
359.28134	0.3
367.10397	0.3
383.11801	0.6
425.13110	0.6
491.10898	0.2
553.15570	0.5
561.72821	0.2
571.16693	0.9
572.16473	0.2
595.16656	1.7
596.17285	0.3
613.08545	0.2
613.17908	3.4
614.18359	0.7
655.18781	12.0
656.19153	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	655.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.1
59.01381	4.8
60.01714	0.1
61.98831	3.4
69.03460	0.2
69.48997	0.8
71.01387	1.1
73.02961	0.5
75.00889	0.4
83.01394	0.5
85.02948	0.3
87.00874	1.0
88.98810	0.1
89.02441	0.7
89.03979	0.2
89.78960	0.1
93.03452	0.4
97.02971	0.1
98.20692	0.2
99.00898	0.2
101.02451	1.1
107.38358	0.1
109.02995	0.1
113.02499	0.7
116.92898	0.3
117.03484	31.0
118.03829	1.6
119.03623	0.2
119.05043	3.8
120.05331	0.1
121.02977	0.2
125.02483	0.4
129.01895	0.1
131.03584	0.2
137.02489	0.3
143.03534	0.3
143.05028	0.2
145.02980	100.0
146.03319	5.2
149.04608	0.1
151.04004	0.2
161.02403	0.1
161.04614	0.2
163.04047	5.5
164.04402	0.3
168.00581	0.1
179.05623	0.1
187.04153	0.1
191.05637	0.2
205.05087	0.2
259.06085	0.2
277.69470	0.1
307.08170	0.4
323.09848	0.3
341.10809	0.6
349.09369	0.2
383.11945	0.5
425.12985	0.4
467.13898	0.1
529.14722	0.2
553.15747	0.5
567.99292	0.1
571.16986	1.0
595.16650	2.0
596.16553	0.3
613.17883	3.2
614.18390	0.6
655.18787	10.7
656.19104	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06149	0.4
57.03461	0.4
59.01377	1.6
61.31374	0.4
61.98829	12.0
64.05217	0.4
71.01378	1.1
75.00874	1.6
85.02948	0.5
87.00887	0.5
93.03491	1.3
98.20746	0.7
101.02459	0.6
106.97020	0.4
107.01409	1.0
108.02191	1.0
109.02952	1.1
117.03454	1.0
119.05032	2.8
125.02472	0.6
137.02457	0.9
143.05022	0.6
145.02988	1.3
151.00346	1.2
152.01231	0.6
153.01984	0.7
154.04269	0.9
159.04459	0.8
161.02480	0.5
163.00377	1.0
163.04044	1.5
165.01927	0.6
167.04959	0.5
169.06630	2.2
171.04539	0.5
183.04541	1.2
185.06047	2.0
187.03992	1.4
189.05611	1.4
191.05652	0.8
195.04692	0.4
199.03961	0.6
199.09712	0.6
211.03937	2.0
213.05536	3.2
214.02698	1.2
215.03342	1.2
227.03502	4.2
228.03874	0.7
229.04990	1.2
229.97131	0.5
239.03502	0.6
241.04929	1.1
243.03000	1.8
255.02977	29.6
256.03470	3.3
257.04453	2.7
283.02469	80.3
284.02930	11.0
285.04031	100.0
286.04382	10.7
342.05835	0.4
375.27454	0.5
430.09033	17.6
431.09796	26.2
432.10052	3.8
473.10751	2.5
474.11154	0.5
507.18985	1.1
589.85010	0.4
619.16797	98.6
620.17145	20.0
655.19391	1.7
655.37408	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16674	0.5
59.01377	4.8
61.98832	27.7
65.03286	0.5
66.92548	0.5
71.01388	6.3
73.02943	1.5
78.95903	1.7
83.01387	0.6
85.02935	1.2
89.02444	5.1
101.02462	4.8
113.02451	1.1
115.04008	0.5
119.03506	1.3
131.03532	0.7
145.68448	0.5
152.99620	1.2
163.06123	1.0
179.05585	0.7
181.07190	54.7
182.07521	1.8
182.38889	0.5
223.13503	0.5
242.45494	0.6
255.23286	0.8
314.01688	0.5
359.12766	0.7
397.13657	0.6
410.40530	0.6
471.34790	100.0
472.35138	23.9
473.35315	4.0
549.04547	0.5
653.26337	1.4
653.42865	0.8
654.25409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13155	0.5
56.12059	0.4
59.01376	3.3
61.98829	15.9
62.29351	0.5
71.01383	3.8
73.02954	0.9
78.95900	1.5
85.02954	0.6
89.02456	2.8
98.95490	0.4
101.02467	2.8
109.06597	0.5
113.01343	0.4
113.02473	0.7
119.03524	0.9
122.62518	0.4
131.03525	0.5
138.26817	0.4
152.99594	0.5
171.10353	0.5
179.05580	1.0
181.07198	33.2
182.07576	1.6
211.13423	1.7
223.13370	1.9
283.61478	0.5
381.50278	0.5
436.21674	0.5
471.34827	100.0
472.35159	22.8
473.36124	10.1
474.36682	1.8
653.25781	3.3
653.42792	0.9
654.25616	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48528	0.5
54.87539	0.4
58.00586	0.4
59.01378	4.0
60.99305	7.0
61.98829	9.7
65.00337	0.7
69.03456	0.5
69.58098	3.8
69.58424	0.4
71.01383	3.9
72.99296	1.3
73.02951	1.6
73.03625	0.4
75.53860	0.4
83.01400	0.8
84.67208	0.4
85.02956	2.5
87.00893	1.2
87.04524	0.5
88.98811	27.0
89.02438	1.6
93.03459	1.0
98.19912	0.9
99.00904	0.9
99.91191	0.4
101.02467	1.9
107.01407	0.6
108.02181	1.9
109.02961	2.4
113.02451	1.4
113.84761	0.4
117.70002	0.4
119.05055	0.4
125.02414	0.9
129.01965	1.5
137.09749	1.5
145.02954	0.9
148.01682	1.2
151.00378	4.0
151.04050	0.5
152.01155	0.8
153.01939	2.1
153.09247	0.4
155.10800	7.4
156.11089	0.5
159.04524	0.5
163.00354	0.8
163.03978	0.6
164.01170	0.6
177.04066	2.1
178.99847	3.8
181.12395	0.8
183.13860	0.5
187.04070	0.5
191.05588	0.6
195.05057	0.8
199.09770	4.1
200.10039	0.5
226.02696	0.9
227.03548	2.7
229.05121	0.6
241.10854	1.4
243.02997	7.1
244.03395	1.0
253.99847	0.5
254.02197	1.9
255.02982	21.4
255.05664	1.1
256.03372	1.5
271.02454	43.6
272.02957	5.6
284.03256	2.1
285.04083	2.5
289.07150	0.6
299.01990	1.5
300.02747	98.0
301.03177	13.4
302.03625	0.7
315.07394	1.1
415.06534	0.8
433.14938	1.1
477.19595	1.6
491.11914	1.5
565.12018	100.0
566.12366	21.1
566.19623	0.4
593.15076	4.4
595.29889	0.9
637.22803	0.7
654.23810	0.9
655.24207	9.8
656.25562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48428	0.3
50.51247	0.3
57.03468	0.5
59.01369	3.4
60.70763	0.4
61.98829	25.8
69.44703	1.0
69.45113	2.9
71.01379	4.1
71.29742	0.4
73.02958	1.1
77.18291	0.4
78.95906	1.1
85.02956	1.0
89.02449	3.6
89.24641	0.4
98.20695	0.8
101.02470	3.3
113.02446	0.8
114.88204	0.4
119.03506	0.6
131.03529	0.5
136.93062	0.4
148.96771	0.4
152.99680	0.8
163.06093	0.5
179.05566	0.9
181.07187	35.9
182.07558	1.5
264.56479	0.4
336.43015	0.4
423.32654	0.8
471.34784	100.0
472.35092	22.0
473.35449	5.1
653.26221	3.5
653.42334	1.0
654.26843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
58.00579	2.7
59.01379	69.4
60.01713	1.1
61.98829	10.6
69.03468	1.7
69.84476	5.9
71.01385	47.4
72.17879	0.8
72.99300	3.3
73.02950	25.5
75.00883	2.1
76.60001	0.8
83.01395	2.7
85.02946	11.9
85.34850	0.7
85.41513	0.8
86.00098	1.8
87.00883	7.0
87.04519	2.5
88.98803	2.4
89.02454	63.4
95.01418	1.8
97.02949	2.2
98.20622	1.0
99.00245	1.7
99.00892	31.2
99.04541	1.3
101.02454	37.6
103.04025	7.1
103.26624	0.8
113.02468	10.4
115.04035	5.3
116.92896	2.2
119.03526	10.3
119.05051	1.3
124.01734	0.9
125.02450	8.4
131.03525	17.4
137.02454	1.8
143.03523	7.0
145.05095	2.3
149.04573	37.1
150.04993	1.3
151.00360	3.1
160.85788	1.0
161.04559	1.8
163.06145	25.2
185.11861	1.3
191.05627	13.6
205.07130	5.3
221.06528	1.0
221.66017	1.0
233.06644	0.9
243.35208	0.9
243.76985	0.9
247.08171	3.4
251.07689	3.4
271.02530	0.9
275.07761	5.8
285.03867	1.2
293.08801	3.9
298.60715	0.9
314.04172	1.6
346.03317	3.0
347.03409	1.2
357.26395	4.9
373.25970	2.2
375.27515	7.6
389.29016	3.0
420.08420	1.7
421.09470	1.0
439.14352	1.6
447.22684	6.0
461.23856	8.1
462.24521	1.2
593.28168	100.0
594.28485	21.6
609.16095	2.0
610.17206	1.0
635.07281	1.1
653.15381	3.1
653.38068	17.2
654.37885	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	653.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03443	1.8
58.00595	1.7
59.01377	42.0
59.47348	0.5
60.01769	0.5
61.98830	11.5
68.99820	0.7
69.03452	2.3
71.01385	38.0
71.62819	0.7
72.01727	0.6
72.99308	3.6
73.02950	5.8
75.00876	0.8
77.71235	0.5
78.95911	1.1
81.03463	1.8
83.01398	3.7
85.02957	7.7
86.00104	0.6
87.00888	7.8
89.02451	32.0
91.03989	0.5
95.01398	2.6
97.02952	5.7
99.00898	1.9
101.02457	32.0
102.02801	0.9
109.02942	0.8
111.00896	0.9
111.04529	1.0
113.02456	16.3
115.04037	0.9
119.03510	9.0
121.02972	1.1
124.01632	0.5
125.01522	0.7
125.02454	14.0
126.93460	0.6
131.03552	1.1
133.05087	1.2
137.02431	1.2
138.60207	0.6
139.03922	0.7
141.01955	0.7
141.87038	0.5
143.03531	6.1
149.04579	1.3
152.99638	0.6
161.04567	6.7
167.03497	0.9
179.05621	6.1
217.07281	1.1
221.06685	2.2
234.95436	0.5
235.08217	14.6
245.06577	0.7
253.09274	3.3
255.23291	99.5
256.23630	10.4
263.07700	0.9
277.09195	1.1
287.07733	4.0
288.08057	0.6
305.08783	4.6
310.20767	0.6
323.09796	1.4
379.12222	1.0
397.13516	100.0
398.13882	10.6
415.14563	35.0
416.15015	3.7
471.34857	3.3
653.25793	1.2
653.37726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03453	3.7
57.59583	0.3
58.00584	0.6
59.01095	0.7
59.01376	10.7
61.98824	3.3
65.42078	0.4
68.99824	0.7
69.03455	1.8
70.05309	1.9
71.01379	15.9
72.99302	4.7
73.02941	3.0
75.00872	28.8
75.35007	0.4
83.01376	1.2
83.05021	0.5
84.02161	0.7
85.02953	13.4
86.03300	0.4
87.00879	8.0
87.04498	0.5
88.98785	0.8
89.02438	3.6
93.03458	1.1
95.01386	2.1
95.05029	1.3
97.02957	1.5
99.00886	8.0
101.02433	2.6
103.00403	0.6
107.05069	0.5
109.02950	0.8
109.06628	0.4
111.00887	2.5
113.02454	8.6
114.02820	0.4
115.00363	1.0
115.04007	0.6
116.92841	1.0
117.01949	1.5
119.05009	0.4
129.01955	10.3
130.02299	0.5
131.03500	0.6
137.02376	0.4
137.06154	0.4
141.01933	1.4
145.02962	0.4
151.00423	0.4
151.04024	0.4
152.01135	0.4
155.10808	2.1
157.01364	0.6
159.02997	3.5
161.09729	0.9
163.11299	2.7
166.02646	0.9
175.02492	0.9
177.04051	14.5
178.04460	0.6
179.10747	0.7
181.05061	1.5
181.12343	23.2
182.12727	2.2
193.05083	0.4
195.05089	17.5
196.05373	0.7
199.09760	1.3
205.12318	0.6
207.10204	1.0
225.11310	8.4
226.11626	0.6
231.05083	0.8
249.06166	5.1
249.11433	0.7
267.07172	1.0
281.07419	0.4
299.15100	1.0
329.02792	0.4
345.06158	0.5
413.18234	2.2
414.83871	0.4
417.15552	1.2
457.16864	1.2
475.18155	8.3
476.18384	0.8
477.19547	1.5
489.19998	0.4
491.19232	1.8
505.13348	0.8
577.21570	1.0
591.23193	0.9
635.21942	15.6
636.22278	2.1
653.22968	100.0
654.23352	19.8
654.34882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23980	0.2
59.01373	1.6
61.98828	11.8
63.02389	3.1
65.00320	7.3
66.00661	0.2
69.31834	2.1
71.01385	0.9
72.99299	0.4
73.02946	0.3
78.95914	0.6
79.41991	0.2
81.03442	0.3
83.01391	4.7
85.02966	0.3
88.98813	1.3
89.02457	0.5
91.01221	0.2
91.21163	0.2
93.03466	7.7
94.03793	0.3
97.02956	0.5
101.02463	0.7
107.01400	13.0
108.02232	0.3
109.02963	0.7
109.06603	0.6
113.02472	0.5
116.92859	0.6
117.03509	0.4
119.05040	30.9
120.05386	1.2
121.02973	0.8
123.04558	0.4
125.02451	1.4
125.09723	0.4
125.36296	0.2
134.03741	0.7
136.05284	0.3
137.02455	0.7
138.72275	0.2
145.02945	1.2
149.02452	0.5
150.03333	0.2
151.00381	36.7
152.00737	1.3
153.05600	0.5
160.01672	1.4
161.02533	0.3
161.04622	0.2
163.11348	0.4
165.01936	2.1
168.07814	0.2
169.01471	2.4
170.01703	0.2
171.10271	0.5
173.96228	0.2
175.00345	0.6
175.04022	1.4
177.01942	5.8
177.03500	0.3
179.03545	0.4
185.06091	0.5
185.11824	0.3
187.04031	0.5
193.01399	0.6
193.05066	0.4
207.10220	1.7
209.11833	2.0
211.13364	0.3
223.13396	0.3
225.11298	1.0
227.07121	0.7
249.11409	0.3
253.09286	0.3
265.14554	0.3
271.06091	100.0
272.06418	10.1
295.06158	0.6
313.07159	1.0
399.21756	0.3
417.22766	0.5
447.31192	0.3
491.24481	0.3
491.33286	0.4
635.30719	1.2
653.31403	4.6
654.30969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.412
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
58.00589	0.6
59.01374	8.7
61.98827	9.6
71.01385	12.0
71.35080	0.8
72.99299	0.7
78.95904	1.0
83.01402	0.8
85.02935	0.6
89.02450	14.7
95.01429	0.6
101.02441	7.3
104.92825	3.4
113.02467	3.2
119.03513	3.3
128.67894	0.5
131.03503	1.2
143.03500	1.1
149.04564	1.1
161.04514	2.3
179.05615	11.9
471.34821	100.0
472.35156	22.0
472.42072	0.8
473.36093	0.5
492.24628	0.5
633.36963	0.6
651.26068	3.3
651.38751	1.0
652.26270	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4122
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
58.00597	0.9
59.01095	0.9
59.01375	12.4
61.98829	8.9
71.01383	14.2
72.99306	1.0
73.02958	1.2
75.32706	0.6
78.95900	0.7
83.01389	0.4
85.02968	1.4
87.00895	0.9
89.02449	17.0
90.02794	0.6
94.22243	0.5
95.99921	0.4
101.02457	8.5
102.18483	0.4
104.92826	3.1
113.02454	4.4
119.03529	3.3
131.03494	1.1
138.72786	0.5
140.98537	0.4
143.03505	1.9
145.02989	0.5
148.26974	0.5
149.04488	1.0
152.99577	0.5
161.04532	3.5
179.05624	13.0
209.11856	0.5
229.54651	0.6
287.11719	0.5
324.85712	0.4
423.32272	0.7
469.32990	1.0
471.34772	100.0
472.35153	21.5
472.39963	0.6
651.25934	3.2
651.39935	0.9
652.26239	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98824	3.8
62.25412	0.3
69.95869	1.5
74.33745	0.2
78.95898	0.5
85.22462	0.2
91.10831	0.2
93.03465	0.4
117.03475	21.3
118.03809	1.0
119.05039	25.4
120.05379	1.2
121.02965	77.8
122.03304	3.6
123.04501	0.6
133.02977	0.9
135.04614	0.5
145.02962	100.0
146.03299	5.8
151.04060	0.5
163.04022	8.7
164.04405	0.4
181.05081	10.7
182.05359	0.6
330.25500	0.3
425.30371	0.6
439.32202	0.5
455.31714	1.2
456.32211	0.4
465.31732	0.2
467.31598	1.0
469.33163	4.6
470.33456	0.8
471.34863	0.7
484.06622	0.3
485.32333	0.4
487.34256	6.4
488.34482	1.2
513.32129	3.3
514.32471	1.0
529.35126	1.1
621.37946	1.2
622.38513	0.5
633.38037	90.9
634.38397	24.5
635.38202	0.3
651.39063	5.6
652.39441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69129	0.2
53.51439	0.2
59.01371	0.9
61.98831	2.5
70.54489	0.5
70.54890	0.6
71.01365	0.3
75.00860	0.4
78.95941	0.5
93.03442	0.4
108.02216	0.3
117.03477	8.1
118.03843	0.5
119.05043	3.0
120.05376	0.3
121.02966	100.0
122.03293	4.0
125.02445	0.5
135.04500	1.7
137.14365	0.3
145.02965	35.4
146.03294	2.1
147.04596	0.2
151.04051	0.3
161.02451	0.4
163.04010	2.4
181.04999	1.3
198.24783	0.2
208.88895	0.2
209.11768	0.3
223.13469	0.2
231.32210	0.2
268.48856	0.2
277.89813	0.2
380.82935	0.3
409.27097	0.4
425.31024	0.3
455.31827	1.1
456.32214	0.3
467.31570	0.8
469.33408	2.7
470.33600	0.4
471.31293	0.8
487.34274	2.5
488.34564	0.7
489.22528	0.7
513.32330	0.4
529.35406	1.6
530.35748	0.4
567.99554	0.2
589.38721	0.3
633.38049	24.8
634.38403	7.5
651.38977	9.5
652.29901	0.3
652.39502	2.5
679.41711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07445	0.5
53.62263	0.4
56.59118	0.4
57.03438	0.9
58.00586	0.8
59.01375	14.5
61.98827	14.9
62.29984	0.4
69.03465	0.8
71.01382	8.7
71.55997	0.7
72.99321	1.0
73.02940	1.1
75.00908	0.6
78.95911	1.2
83.01383	0.5
83.05038	0.5
85.02970	2.7
87.00895	0.7
88.98833	2.2
89.02448	10.8
93.03523	0.4
95.01400	1.0
101.02448	6.6
109.06602	3.9
109.40849	0.5
113.02475	3.8
116.92873	1.0
117.03479	2.5
119.03529	5.2
119.05043	1.6
121.02961	1.6
125.02471	1.6
137.02454	1.1
137.82823	0.6
143.03520	1.1
145.02969	10.3
146.03302	1.0
151.03963	0.5
159.04480	0.5
161.04614	1.2
163.04042	1.9
168.00661	0.5
171.10324	0.7
179.05634	3.8
183.04510	0.7
191.85330	0.4
196.81265	0.5
197.06310	0.6
209.11839	0.6
211.13266	0.6
226.06458	0.5
237.69255	0.5
241.05191	0.6
251.03317	0.6
269.04584	2.7
270.05273	1.6
271.06152	0.8
283.06204	0.6
351.02542	0.5
367.11868	1.0
373.31137	1.1
427.32260	1.0
445.33371	2.0
489.31818	3.5
503.33643	1.5
651.41168	100.0
652.19202	0.8
652.41650	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
56.30458	0.5
57.03440	3.6
59.01375	12.3
68.99808	1.3
69.03443	1.2
69.58887	3.6
71.01009	0.8
71.01382	14.7
72.99315	4.8
73.02952	1.3
75.00873	21.3
79.01594	0.5
81.03460	0.6
83.01379	1.5
84.02171	0.6
85.02952	16.7
87.00889	7.5
87.28191	0.5
89.02452	4.1
91.03997	0.7
93.03416	0.6
95.01395	2.0
96.15627	0.5
97.02966	1.2
99.00890	9.9
101.02441	1.2
103.00368	1.2
109.03004	0.6
111.00861	2.0
113.02457	11.3
115.00346	1.3
117.01932	1.9
129.01949	7.3
135.11848	3.2
141.01910	1.0
146.07472	0.5
157.01408	0.7
159.02995	1.5
159.08173	1.1
161.09712	5.0
162.10080	0.9
175.02461	1.4
177.04051	16.4
178.04324	0.6
179.10783	17.0
180.11171	1.2
195.05101	11.0
208.88301	0.5
223.09770	1.3
231.05037	1.4
249.06131	9.6
267.07092	3.1
285.03857	0.9
297.13553	1.2
411.16498	1.2
429.17676	2.5
455.15198	1.1
473.16620	11.8
474.16885	1.0
475.18307	1.1
524.18787	0.7
556.19116	0.6
589.21252	0.8
633.20447	15.7
634.20825	2.0
651.21472	100.0
652.21863	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	651.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.0
61.85898	0.2
61.98827	2.9
68.82152	0.2
69.34929	1.7
71.01379	0.2
72.85167	0.1
72.99317	0.4
75.00845	0.2
75.61391	0.2
78.95920	0.3
89.02435	0.2
93.03453	0.4
104.92755	0.2
108.02206	0.3
117.03478	19.5
118.03802	1.1
119.05038	20.2
120.05370	0.8
121.02968	63.1
122.03303	2.3
123.04543	0.2
133.02991	0.2
134.03801	0.2
135.04582	1.1
145.02968	100.0
146.03305	5.3
161.02332	0.2
163.04025	9.2
164.04366	0.3
179.05685	0.2
181.05077	13.6
182.05441	0.9
200.00711	0.2
223.13403	0.4
255.23245	0.2
425.30615	0.3
437.30411	0.4
439.32083	0.5
449.30615	0.2
455.31683	0.9
467.31857	1.1
468.31412	0.2
469.33188	3.9
470.33698	1.0
471.34622	0.9
473.36838	0.3
487.34299	5.3
488.34500	1.1
513.32196	2.5
514.32440	0.3
529.35303	0.8
557.34821	0.2
565.60199	0.2
633.38043	92.1
634.38403	23.9
636.53601	0.2
651.39020	3.2
652.39258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13521	0.5
51.08553	0.5
52.10640	0.4
53.49238	0.4
55.01887	1.1
57.03449	4.0
58.00589	0.8
59.01380	14.6
68.99815	1.3
69.03457	1.5
69.75670	2.9
71.01387	18.6
72.99306	5.4
73.02948	3.0
75.00876	27.5
78.50875	0.4
83.01393	1.5
84.02159	0.8
85.02959	18.2
87.00880	8.5
87.04514	1.3
89.02447	4.2
90.62556	0.4
90.94341	0.4
93.03461	0.5
95.01401	3.6
97.02959	1.7
99.00891	10.5
99.74337	0.4
101.02452	1.3
103.00387	1.4
104.55872	0.4
105.90379	0.4
111.00903	2.3
111.04572	0.6
113.02460	15.0
115.00359	1.2
115.04076	0.5
117.01955	1.9
129.01953	10.2
135.11815	1.9
141.01984	1.2
143.08702	0.6
144.05811	0.8
146.07341	0.5
155.10817	0.4
159.03014	3.4
159.08174	3.2
159.11823	0.5
161.09729	8.1
162.10066	0.6
175.02524	1.2
177.04062	17.6
178.04372	0.8
178.99974	0.4
179.10793	21.5
180.11110	1.4
189.03944	0.5
195.05103	22.3
205.07120	0.8
205.08656	1.1
209.06290	0.4
223.09822	1.0
231.05106	0.9
249.06143	9.0
267.07199	3.2
297.13434	1.2
325.76416	0.5
383.13739	0.6
411.16492	2.1
429.17612	1.5
442.34216	0.5
455.15726	2.5
473.16629	11.3
474.16827	1.3
475.18195	1.4
575.19781	1.3
589.21405	0.7
633.20496	18.6
634.20844	3.3
651.21503	100.0
652.21826	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03444	3.2
59.01377	10.9
67.01897	0.5
68.99812	1.6
69.03429	1.1
69.54195	0.7
69.54585	3.0
71.01384	15.1
72.99309	4.4
73.02938	1.9
75.00874	24.3
76.01206	0.5
81.03448	0.7
83.01394	1.3
84.02165	0.5
85.02953	15.1
86.03269	0.6
87.00881	8.3
89.02437	4.0
91.04027	0.6
93.03479	0.9
94.11317	0.4
95.01384	2.5
97.02975	1.2
99.00888	8.6
100.01250	0.4
101.02440	1.1
103.00373	1.0
111.00879	1.6
112.01621	0.4
113.02460	10.4
114.02743	0.6
115.00356	0.9
115.04001	0.6
117.01937	1.5
117.94675	0.4
129.01952	9.3
130.04362	0.5
131.03473	0.7
131.66801	0.4
133.10255	0.4
135.11809	3.8
141.01918	1.1
145.08502	0.4
157.01485	0.6
159.02966	2.5
159.08150	0.9
159.11858	0.7
161.09721	5.2
163.76659	0.4
175.02449	1.0
177.04050	17.5
178.04372	0.7
179.10780	14.2
180.11108	1.2
195.05106	10.2
196.05411	0.5
203.10666	0.7
223.09766	0.7
231.05067	1.3
249.03764	0.8
249.06142	9.3
267.07202	3.4
315.50708	0.5
340.15552	0.4
358.84534	0.4
429.17670	1.8
455.15384	0.6
473.16452	3.8
475.18018	2.5
539.91803	0.4
575.19537	1.1
589.21387	0.7
633.10028	0.5
633.20490	13.5
634.20972	2.4
651.21503	100.0
652.21820	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	651.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01246	0.3
57.03432	0.3
59.01379	3.0
61.98829	11.0
61.99150	0.5
62.72029	0.3
70.73890	0.7
70.74229	0.4
71.01379	1.4
72.99327	0.3
73.02943	0.6
77.72876	0.3
78.95914	0.7
82.17542	0.3
83.05016	0.6
85.02954	0.8
88.98795	2.0
89.02437	0.9
89.12280	0.3
93.03493	0.4
101.02456	1.1
105.01940	0.3
113.02457	0.5
116.92831	0.4
119.03516	0.4
119.05051	0.5
121.02975	1.1
123.04528	0.5
124.01627	0.5
125.02454	1.2
131.05031	0.5
137.02448	1.1
145.02939	1.7
150.06892	0.4
151.00352	0.5
151.57693	0.3
159.04529	2.5
161.04564	0.4
165.01881	0.4
168.00693	0.8
175.04060	0.4
175.78659	0.4
177.01859	0.4
187.04033	1.7
187.07599	0.6
188.04782	2.3
189.05530	0.9
201.05528	0.4
202.06354	3.0
209.11836	2.4
211.13481	0.3
213.05534	0.9
214.06374	3.1
215.03502	33.1
215.06873	0.9
216.03871	2.4
217.04913	0.4
223.13356	0.9
225.05522	1.8
227.03494	15.6
228.03831	1.0
230.05829	100.0
231.06367	13.6
232.06891	0.5
241.05086	6.1
242.05830	12.0
243.06590	8.2
244.06966	1.0
255.06642	0.4
257.08154	2.4
258.08948	4.8
259.09445	0.9
269.04532	0.9
270.05383	0.5
271.06061	0.8
299.09305	0.6
301.92307	0.4
367.11969	0.4
378.39825	0.3
387.08661	1.6
388.08969	0.6
399.08273	0.4
402.07104	0.7
403.11990	0.5
405.12247	0.4
413.10376	0.6
415.08170	0.6
427.11676	1.1
429.09634	3.6
430.06250	0.6
430.11087	0.5
431.11249	1.8
432.11252	0.5
444.12610	0.5
445.13068	4.5
446.13702	2.7
447.14175	1.1
455.11356	1.2
470.13580	0.8
471.14664	0.7
473.12366	48.2
474.12723	8.1
474.18997	0.6
487.13968	0.5
488.07532	0.9
488.14728	31.2
489.15460	72.1
490.15872	12.2
531.16510	1.1
651.20898	66.6
652.21191	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	651.1583
Annotation	Quercetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
56.98938	0.5
57.03441	0.6
59.01381	4.0
61.98826	3.0
65.00318	2.2
65.56448	0.4
67.64718	0.4
69.03499	0.6
69.32314	2.4
69.32746	2.4
71.01391	3.3
72.99319	0.5
73.02949	0.9
77.53564	0.4
83.01395	1.9
85.02948	3.0
87.00871	1.2
89.02445	1.0
93.03480	1.0
95.01424	0.5
97.02927	0.8
97.33925	0.4
99.00888	1.0
101.02452	1.5
107.01395	4.3
108.02195	1.3
109.02976	1.5
113.02446	1.3
116.92869	1.0
117.03488	3.0
119.05048	1.9
121.02982	4.1
125.02457	1.5
129.01929	1.0
133.03046	0.6
137.02440	0.6
139.04095	0.5
145.02969	13.3
146.03296	1.2
149.02403	0.8
151.00391	17.1
151.04012	0.5
152.00737	0.6
155.10789	2.0
161.02515	1.0
161.04659	0.6
163.00410	2.0
163.04021	1.9
165.01852	0.5
169.01448	2.0
170.75626	0.5
175.04002	1.1
177.04025	1.4
178.99879	9.3
179.03452	0.6
179.10773	0.8
187.03925	0.5
195.05098	1.0
199.09734	1.3
201.05536	0.7
205.05009	0.7
211.04102	0.7
223.08273	0.5
227.03477	2.5
229.05002	1.0
241.01865	0.5
243.02985	4.6
245.04504	1.4
249.06149	0.7
254.02156	1.4
255.02950	15.8
256.03391	1.5
271.02457	28.1
272.02838	3.3
273.04144	0.8
283.02466	2.0
299.01978	2.4
300.02750	67.8
301.03494	54.8
302.03970	4.9
405.17337	0.6
445.20795	0.5
447.09265	2.0
463.09073	3.0
489.10339	100.0
490.10641	13.9
505.13385	0.6
613.17603	2.8
615.18695	0.7
633.20331	0.6
642.20764	0.7
651.14594	1.0
651.23615	3.5
651.71967	0.8
652.24091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03459	1.1
58.00637	0.3
59.01378	3.5
60.99303	0.6
61.98830	100.0
65.00322	0.9
65.57517	0.2
69.03441	0.3
71.01385	2.9
71.05013	0.3
71.65819	0.2
72.99324	0.4
73.02959	1.1
75.00878	0.7
78.95901	0.6
81.03449	0.4
83.01407	0.6
83.05045	0.4
84.36546	0.2
85.02952	1.0
87.00887	0.7
87.04530	1.0
88.98808	5.6
89.02474	0.8
93.03503	1.2
95.05083	0.3
96.96008	0.4
96.96998	0.3
97.02946	0.3
97.06611	0.4
99.00865	0.3
99.04551	0.3
101.02451	1.4
107.01406	0.9
108.02242	0.3
109.02973	0.6
111.01028	0.2
113.02470	1.1
115.04082	0.2
116.92867	4.9
117.03484	0.3
117.92898	1.0
119.03509	0.5
119.05040	0.9
121.02976	0.4
123.04553	0.4
123.08197	0.4
125.02477	2.0
125.09711	0.2
129.02016	0.2
133.02881	0.2
135.04541	2.2
135.08182	0.6
136.01735	0.2
136.04849	0.8
137.02441	1.5
137.09737	3.4
139.11296	0.6
145.02998	0.8
151.00410	4.6
151.04030	0.5
151.11258	0.3
152.00877	1.0
153.01918	0.3
155.10799	17.6
156.11125	1.0
160.01830	0.3
161.02504	0.4
163.04010	0.6
163.11464	0.3
165.01933	0.3
165.05605	0.4
167.03354	0.2
167.17062	0.2
169.12387	1.2
171.10289	0.3
173.04564	0.4
177.01962	0.3
178.99879	0.3
179.03510	0.5
179.10841	0.3
181.08698	1.0
181.12321	0.2
185.11850	0.7
187.13377	0.3
191.05621	0.3
199.09773	7.7
200.10098	0.6
201.15065	0.3
209.11813	0.6
213.11311	0.6
215.07137	0.3
241.10832	2.4
255.02939	0.5
256.03339	0.5
257.03772	0.3
259.06079	1.3
271.06140	0.7
283.02390	0.6
284.02734	0.8
285.03714	0.9
287.05609	4.5
288.06033	2.2
289.07129	0.3
313.11774	0.4
354.23657	0.3
355.24811	1.2
371.24521	0.7
372.24591	0.7
373.25955	3.1
374.26486	0.3
387.27493	1.8
415.26923	0.4
432.09637	0.4
575.25690	0.3
587.30750	39.6
588.31061	9.4
615.20984	0.7
641.70032	0.2
650.17151	0.8
650.34888	1.9
651.36334	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	649.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01376	0.9
61.98827	14.7
66.88145	0.3
71.01368	0.9
71.63055	0.3
71.63448	0.6
78.95876	0.5
89.03992	0.4
92.81255	0.3
109.02957	0.3
117.03474	23.5
118.03811	1.2
119.05035	6.1
121.02972	7.3
123.04551	0.7
125.02442	2.8
133.02992	1.9
135.04529	1.5
137.02477	0.4
145.02966	100.0
146.03304	5.9
161.02463	5.1
163.02725	0.5
163.04024	6.3
164.04425	0.4
181.05078	0.7
184.86037	0.3
186.31030	0.4
277.58984	0.4
289.06989	0.6
301.04953	0.3
389.12936	0.4
471.31219	1.4
485.32773	1.1
487.34198	4.7
488.34921	0.8
501.32233	5.8
502.32309	1.1
503.33121	0.4
587.37427	1.2
613.21405	0.6
614.20392	0.9
631.36310	1.2
632.37177	0.7
649.37537	82.4
650.37878	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	649.3964
Annotation	Sutherlandioside C
Peak:m/z	Relative Intensity
55.01873	1.0
57.03452	0.7
59.01374	9.0
59.98048	0.5
61.98826	35.3
63.70519	0.6
71.01378	7.6
71.58875	0.7
72.99303	1.1
73.02940	2.3
75.00874	0.8
78.95907	1.4
80.31061	0.6
83.01379	1.7
85.02953	4.2
87.00872	0.9
88.98792	2.0
89.02438	3.6
93.03447	0.5
95.01399	1.0
99.00872	0.6
101.02438	4.4
109.02923	0.7
113.02450	1.7
116.92883	2.6
119.03469	0.9
119.05023	0.9
123.04512	1.5
124.01644	1.6
125.02457	4.5
137.02443	1.5
138.58031	0.6
145.02951	1.6
149.99591	1.3
151.00374	1.0
151.04012	1.1
168.00610	2.8
175.04008	0.7
176.83731	0.6
191.05688	0.7
209.11763	1.4
211.13483	0.5
263.28574	0.6
271.06058	1.5
318.13943	0.6
468.10687	0.7
469.29318	0.6
487.34543	4.8
488.34891	0.9
501.32336	1.0
649.29938	5.1
649.39624	100.0
650.30280	1.1
650.40015	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36121	0.1
59.01348	0.1
61.98832	1.2
69.33318	1.2
89.03954	0.2
98.89800	0.1
116.47971	0.1
117.03477	23.2
118.03791	0.9
119.05036	7.6
120.05340	0.2
121.02979	1.0
125.02424	0.1
133.02994	0.3
145.02969	100.0
146.03305	4.7
147.04491	0.1
161.02426	0.3
162.03033	0.1
163.04027	5.0
164.04343	0.3
254.04259	0.1
437.30444	0.3
441.29947	0.7
446.71759	0.1
453.29938	0.6
455.31985	0.4
471.31244	0.4
472.31204	0.1
485.32721	3.8
486.33047	0.7
487.33377	0.3
501.32364	0.1
503.33731	0.7
529.31573	1.3
530.32104	0.2
587.37488	0.6
649.37537	64.4
650.37921	15.3
650.49475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16653	0.2
57.03465	0.2
59.01370	0.4
61.98830	0.9
71.01395	0.4
71.58804	0.2
77.45959	0.2
78.04632	0.2
81.65946	0.2
94.50855	0.2
101.02462	0.2
105.03460	0.3
115.01899	0.3
117.03489	2.5
118.03825	0.4
119.05042	0.6
121.03030	0.3
123.04626	0.3
125.02455	0.5
132.02167	1.2
133.02968	26.3
134.03387	0.9
135.04541	6.1
136.04872	0.3
137.02455	0.7
139.04027	0.2
145.02971	4.4
146.03305	1.3
147.03612	0.3
161.02454	100.0
162.02797	5.1
163.04031	0.7
178.02806	0.4
179.03514	4.2
180.03865	0.3
244.50084	0.2
251.22873	0.2
310.30106	0.2
409.27490	0.4
418.73734	0.2
425.30548	0.3
433.00104	0.3
437.30399	0.3
439.32516	0.2
455.31586	0.8
467.31763	0.5
469.33121	0.6
487.34174	0.6
488.34622	0.3
513.32172	0.3
631.35913	0.3
649.37494	92.9
650.37836	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	649.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98821	0.8
78.12234	0.2
93.03443	0.3
115.24039	0.2
117.03477	29.7
118.03838	1.1
119.05036	6.8
120.05318	0.2
121.01968	0.1
121.02956	0.6
123.04541	0.4
132.71254	0.2
133.02954	0.6
135.04543	2.6
145.02963	100.0
146.03302	4.7
149.76193	0.1
161.02461	3.9
163.04028	5.1
164.04312	0.3
179.03481	0.5
231.28531	0.2
267.84546	0.1
437.30750	0.3
441.30209	0.7
453.30289	0.5
455.31567	0.4
467.31683	0.2
469.33347	0.3
471.31216	0.5
485.32764	1.3
486.33112	0.2
487.34308	0.5
503.33804	0.6
529.31378	1.1
649.37518	69.6
650.37860	18.6
650.49261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45045	0.1
57.03444	0.2
59.01374	0.2
61.98826	0.4
84.88666	0.1
87.30157	0.1
89.03990	0.2
93.03464	0.1
107.90460	0.1
108.97466	0.1
116.02751	0.1
117.03482	25.1
118.03800	1.1
119.05042	7.0
120.05396	0.2
121.02957	0.3
125.02508	0.1
135.15500	0.1
145.02972	100.0
146.03308	5.0
147.04552	0.2
162.03224	0.2
163.04030	4.8
164.04340	0.3
223.58466	0.1
229.75197	0.1
321.14203	0.1
377.28717	0.1
378.63101	0.1
389.28503	0.2
407.29706	0.2
439.28452	0.4
451.28455	0.4
453.30215	0.2
469.29697	0.3
483.31235	1.2
484.31735	0.2
501.32224	0.8
502.32416	0.2
527.30066	0.9
528.30463	0.2
647.35968	56.1
648.36316	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	647.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98824	0.3
75.44612	0.1
87.04500	0.2
89.03994	0.1
95.65059	0.1
98.19888	0.3
108.22581	0.1
115.75938	0.1
115.96465	0.1
117.03476	24.4
118.03786	1.1
119.05037	6.8
120.05363	0.2
121.02975	0.4
123.04491	0.1
133.02861	0.1
135.04533	0.4
145.02965	100.0
146.03302	5.4
161.02419	0.6
163.04019	4.3
164.04378	0.2
200.74927	0.1
317.86414	0.1
389.28796	0.1
390.29074	0.1
407.29932	0.1
439.28372	0.3
451.28333	0.3
453.29825	0.2
469.29648	0.3
470.29523	0.1
483.31052	1.1
484.31525	0.2
485.32962	0.2
501.32336	1.1
502.32211	0.2
527.29932	1.0
595.60651	0.1
631.09869	0.1
647.35950	59.0
648.36273	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	649.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57811	0.3
57.03451	0.4
57.18309	0.2
59.01377	5.2
61.98829	3.2
65.00324	0.5
67.18750	0.2
71.01384	2.6
71.64424	0.3
72.40437	0.2
72.99311	0.6
73.02953	1.0
75.00872	0.7
78.95914	0.4
81.03446	0.3
83.01383	1.5
85.02950	1.4
87.00888	1.1
89.02440	1.7
93.03478	0.6
95.01382	0.3
96.96009	0.6
96.96989	0.3
97.02948	0.3
99.00890	0.7
101.02451	1.8
103.00434	0.2
107.01423	1.2
109.03010	0.3
113.02467	1.8
115.04019	0.3
116.92878	0.5
117.03478	26.8
118.03838	1.3
119.02724	0.3
119.03577	0.5
119.04235	0.5
119.05042	6.3
120.05375	0.3
121.02962	0.5
125.02454	1.8
129.01970	0.6
131.03520	0.3
134.03600	0.3
135.04532	3.5
137.02448	0.9
143.03510	0.3
145.02966	100.0
146.03311	5.6
147.03000	0.4
151.00400	6.0
151.03955	0.5
155.10774	0.4
160.04039	0.3
161.02509	0.6
161.04611	0.4
161.06116	0.2
163.04021	8.6
164.04250	0.5
165.01903	0.3
165.04041	0.7
165.05421	0.2
169.01353	0.4
175.00484	0.2
175.03954	0.3
177.01923	0.3
177.04044	0.3
179.03589	0.3
179.05592	0.6
187.04016	0.4
190.65672	0.2
197.24806	0.2
205.05063	0.3
207.05183	0.4
227.07124	0.3
233.09468	0.3
259.06207	0.3
271.02625	0.2
271.06131	0.4
287.05597	6.0
288.05966	0.5
289.07190	0.4
299.01935	0.6
307.08249	0.9
323.09787	0.6
341.10803	2.3
349.09494	0.3
356.04572	0.3
383.11926	0.6
401.05643	0.2
432.06653	0.3
457.59457	0.2
504.16425	0.2
511.14444	0.3
513.16229	0.3
529.15674	0.5
553.15497	1.3
571.16577	3.0
572.17218	0.5
578.90900	0.3
613.17810	37.1
614.18207	7.6
649.22546	0.9
649.30719	0.3
650.21881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.3
59.01378	0.9
61.98827	0.8
62.51203	0.3
63.02400	1.1
65.00323	3.3
67.26595	0.3
68.99821	0.4
69.26553	1.7
69.26989	1.6
71.01377	0.3
83.01387	4.7
83.01826	0.4
85.02975	0.3
93.03462	0.7
94.08475	0.3
95.01403	0.7
95.20446	0.3
101.77605	0.3
105.03520	0.5
107.01403	4.6
107.24793	0.3
109.02952	3.5
111.00908	0.6
121.02954	1.6
123.00866	0.4
123.04547	2.9
124.01699	2.1
125.02461	93.9
126.02807	2.8
128.96646	0.3
135.04582	0.4
137.02463	3.2
139.04044	1.6
147.04503	1.2
149.02458	8.7
150.03290	1.5
151.00383	17.3
151.04012	3.6
152.01181	4.4
153.01956	23.5
154.02286	1.0
155.10808	1.2
159.04597	0.3
161.02412	1.6
161.06091	0.4
163.00368	4.6
163.04039	0.8
164.00793	0.4
165.01886	0.5
166.02628	0.4
167.03577	0.5
169.01381	1.6
171.04573	0.9
172.05344	0.6
173.02417	0.7
173.06061	0.8
174.03267	2.1
175.04021	16.6
176.01109	1.0
176.04362	1.0
177.01942	21.1
178.02310	1.2
178.99878	23.1
180.00246	0.7
181.01408	2.7
187.04027	0.5
188.04774	1.9
189.05585	3.5
190.05959	0.3
191.03529	1.3
191.07114	0.4
193.01581	0.3
193.05093	1.1
197.06114	0.7
198.03218	0.6
199.03999	8.6
199.09802	1.6
200.04471	0.6
201.02026	1.8
205.01440	0.6
213.05609	1.7
215.03471	0.9
215.07243	0.5
216.04262	1.5
217.05037	9.4
218.05367	0.5
219.03026	0.8
231.06610	1.0
241.05042	7.1
241.10724	0.4
242.02036	0.4
242.05353	0.8
243.02945	1.3
257.04544	1.4
259.06110	4.4
267.03049	0.4
275.05609	12.1
276.05960	1.5
283.11908	0.8
285.04041	63.7
286.04382	5.6
299.05719	1.1
303.05093	100.0
304.05466	8.4
309.03992	0.8
327.04919	1.7
343.13919	1.7
344.14340	0.5
369.06180	0.5
497.16330	0.4
523.14801	0.5
525.16125	0.7
619.20221	1.3
620.21625	0.4
629.18561	1.6
647.19843	16.9
647.28882	0.7
648.20129	3.3
675.01276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.2
58.00593	0.1
59.01366	1.0
61.98825	0.2
65.97147	0.2
67.01894	0.3
69.03467	0.2
71.01378	0.7
71.37967	0.3
71.38290	0.1
73.02950	0.2
85.02956	4.9
85.06603	0.2
87.00887	1.3
89.02458	0.2
93.02914	0.2
93.03465	2.0
99.00825	0.2
99.04502	0.2
101.02443	0.2
109.02961	0.5
111.04527	0.7
113.02470	0.2
113.06046	0.1
116.92887	0.2
119.03497	0.2
125.02508	0.1
127.04031	1.2
131.07137	0.5
133.02960	0.5
134.03798	0.2
135.04535	1.6
136.04826	0.2
137.02451	0.3
148.99132	0.2
155.03494	0.2
161.02464	1.4
162.02713	0.2
171.02979	0.4
173.04555	2.7
179.03494	1.5
191.05617	100.0
192.05963	4.6
193.05016	0.2
289.06924	0.2
293.12372	1.5
294.12802	0.2
323.13452	0.3
350.84689	0.2
353.08765	16.6
354.09097	2.2
619.12909	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	647.163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20265	0.2
52.17854	0.2
59.01376	2.5
61.98826	2.6
63.02416	0.3
65.00037	0.3
65.00353	0.7
66.28680	0.2
69.74603	1.3
71.01382	1.0
71.36016	0.2
75.00901	0.2
82.63749	0.2
83.01392	0.3
85.02957	0.4
88.32352	0.2
88.98798	1.1
89.02451	0.6
93.03481	0.6
101.02472	0.6
102.27584	0.2
107.01402	0.8
109.02972	0.3
111.33453	0.2
113.02457	0.6
114.93409	0.3
116.92880	0.3
117.03445	1.0
119.05061	0.5
125.02442	0.7
133.12001	0.2
135.00912	0.2
135.04556	0.7
137.02533	0.4
145.02940	0.4
147.33382	0.2
151.00397	2.9
155.05038	0.4
159.04520	0.8
163.04115	0.3
167.05064	0.3
171.04532	0.2
175.04045	0.3
182.03714	0.6
183.04547	4.1
184.04840	0.2
185.02493	0.6
187.03969	0.3
199.03966	0.3
201.11320	1.9
209.11845	2.4
211.04044	2.8
215.03500	0.3
226.02896	0.2
227.03526	2.4
227.12837	0.3
228.04114	0.3
239.03458	0.5
253.09238	0.5
255.02966	43.5
256.03314	4.2
271.06073	0.5
282.01651	0.3
283.02463	100.0
284.02823	11.0
285.04019	6.9
286.04303	0.8
287.05588	0.6
297.54834	0.2
429.08145	0.8
430.09033	37.0
431.09509	7.5
463.85046	0.2
473.10864	0.5
501.10205	2.3
502.11130	0.3
543.27625	0.5
545.12738	0.6
547.51636	0.2
561.29120	0.4
587.14331	0.2
605.14948	0.4
629.23120	0.3
647.16199	39.5
648.16541	9.6
654.27478	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2165
Annotation	Mulberrofuran O
Peak:m/z	Relative Intensity
55.10961	0.7
57.03179	0.9
57.03449	16.0
57.20575	0.5
57.86250	0.5
57.98360	0.5
59.01377	25.1
61.98833	28.4
64.75286	0.6
68.99792	1.1
69.03439	1.4
69.36179	6.3
71.01388	17.9
72.99306	3.5
73.02945	3.3
75.00878	32.7
78.95895	1.8
80.05045	1.1
81.03475	1.2
83.01385	2.7
84.02154	1.0
85.02965	12.3
87.00378	0.8
87.00885	8.6
88.98787	1.0
89.02459	8.1
93.03471	2.0
95.01387	0.8
95.99991	0.5
96.96003	1.4
96.96961	1.2
97.02938	2.1
99.00902	6.1
99.04533	6.6
101.02456	9.3
108.02199	3.0
109.02955	4.1
111.00887	3.1
113.02447	3.9
115.00374	1.7
117.01925	1.3
119.03520	0.9
119.05034	2.4
121.02964	2.0
123.00853	0.6
123.04524	1.7
124.04042	1.3
125.02470	8.2
129.01060	1.1
129.01959	14.8
130.02304	0.8
133.02931	1.1
135.04570	0.8
137.02463	2.7
139.03966	0.6
141.01933	2.2
145.02953	2.6
145.07692	1.2
149.02486	1.1
150.05623	0.6
151.04008	1.4
152.01160	4.0
153.01929	1.6
155.10840	0.7
157.01411	0.6
159.03033	6.1
159.04333	1.1
160.06424	4.5
161.02463	1.1
161.04572	6.4
161.05943	1.3
161.07234	16.4
163.03978	2.1
165.01920	1.6
173.04541	2.3
175.02527	1.0
175.03923	0.9
175.07378	0.7
175.08800	12.2
176.09123	0.9
177.04053	27.1
178.04393	2.0
179.03407	1.0
179.05658	0.6
179.10760	1.0
187.08755	2.2
189.06718	32.0
190.07050	1.4
191.05655	2.7
191.07195	0.7
195.05112	33.9
196.05493	1.4
201.10339	3.8
203.08316	15.4
203.11937	5.2
204.08774	0.7
205.05089	1.6
227.03496	1.5
229.09816	7.1
237.06155	5.9
245.08118	1.6
249.06148	1.3
255.02972	2.6
261.06088	2.0
270.07947	0.7
271.02402	1.1
277.09103	0.7
277.11847	1.8
279.07187	2.9
280.92191	0.6
284.03357	2.8
285.04150	1.2
289.07178	5.4
300.02527	1.4
303.04584	0.6
305.11426	21.2
306.11667	2.6
315.08734	1.0
321.08142	1.9
323.12494	21.2
323.16324	1.0
324.12799	2.3
339.09280	3.2
365.13538	6.4
407.14517	2.4
417.33176	0.6
423.16498	1.4
440.13364	0.8
467.16562	3.8
471.12839	0.8
484.12122	1.5
562.68903	0.7
582.14288	1.9
609.14166	2.9
610.15497	0.8
627.20789	2.2
635.71930	0.8
636.22717	0.9
637.23096	1.9
638.24695	0.7
644.72925	4.2
645.21698	100.0
645.72339	1.2
646.22064	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	647.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03710	0.3
52.93876	0.3
59.01376	0.3
60.44416	0.3
61.98837	0.3
63.02417	0.6
65.00065	0.3
65.00365	0.8
69.53362	2.4
69.53658	0.3
76.38379	0.3
83.01418	0.8
83.41694	0.2
90.87359	0.3
93.03490	0.8
94.72739	0.2
107.01414	1.2
117.03480	1.2
125.02455	1.3
135.00897	0.3
135.04527	0.3
141.03552	0.3
143.05042	0.5
145.03006	0.3
151.00414	2.7
153.02029	0.3
154.04242	0.5
155.05008	0.7
159.04527	0.8
163.00368	0.3
167.05011	0.4
169.06589	1.1
171.04514	0.7
173.02402	0.4
175.04010	0.3
177.02017	0.4
182.03702	0.6
183.04507	4.6
184.04927	0.5
185.02501	0.5
185.06105	0.8
187.04047	1.0
189.05585	0.6
199.03999	0.7
211.03976	3.2
212.04568	0.4
213.05550	1.2
214.02708	0.3
215.03525	0.6
226.02702	0.3
227.03539	4.4
229.05022	0.5
239.03580	0.6
241.05040	0.4
243.03012	0.6
255.02979	54.3
256.03357	5.1
257.04572	1.1
283.02478	100.0
284.02859	11.7
285.04047	30.5
286.04425	3.2
303.05008	1.2
387.66428	0.4
406.73148	0.3
430.09036	27.2
431.09772	17.7
432.10159	1.5
501.10336	3.6
502.10568	0.6
607.70258	0.3
647.16290	47.6
648.16516	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	645.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01383	1.9
61.98830	10.6
63.02395	0.7
65.00320	1.4
69.03453	0.1
71.01385	1.7
72.01693	0.2
72.99310	0.4
73.02948	0.6
75.00888	0.3
81.03477	0.2
83.01393	1.5
83.05055	0.2
85.02962	0.8
87.00890	0.3
87.04515	0.2
88.98816	0.7
89.02464	1.1
91.01884	0.3
93.03462	1.4
95.01391	0.4
95.05003	0.2
96.96028	0.4
97.02959	0.5
98.19792	0.2
99.00873	0.3
101.02454	1.1
107.01403	3.3
108.02203	0.4
109.02966	2.1
111.00854	0.2
111.67174	0.1
113.02476	0.8
116.92870	0.5
117.03528	0.2
119.03493	0.5
119.05023	0.7
120.05886	0.1
121.02971	2.5
122.03783	0.8
123.00925	0.2
123.04569	0.9
124.01701	0.5
125.02461	1.6
125.09737	0.3
129.35588	0.1
133.03017	0.1
133.52213	0.1
134.03705	0.3
135.00871	0.3
135.04546	0.3
135.08157	1.0
136.05356	0.3
137.01422	0.3
137.02464	4.1
137.09718	0.3
138.02930	0.3
139.04039	0.7
141.16148	0.1
145.02968	0.3
146.03746	0.2
147.04518	0.2
147.61322	0.1
149.02457	1.1
149.06097	0.2
149.99609	0.2
150.03139	0.2
151.00391	11.4
151.03964	0.7
152.00766	0.5
153.01961	0.3
154.02675	0.2
155.10793	0.8
159.03085	0.1
159.04529	0.6
160.01738	0.2
161.02449	0.4
161.04703	0.3
161.06119	0.4
163.00369	0.7
163.04027	0.3
164.01175	0.9
165.01955	5.4
166.02299	0.7
167.07047	0.1
168.00836	0.2
169.01433	1.0
170.03729	0.2
171.04486	0.2
171.10255	0.5
173.02371	0.2
173.06088	0.4
175.04045	0.7
177.01889	0.3
177.05516	0.2
178.99864	5.9
179.03404	0.7
180.00211	0.4
180.04243	0.5
181.04718	0.3
181.08717	0.4
181.12285	0.2
183.04475	0.3
185.06070	0.5
187.04021	0.7
189.05556	0.2
191.07179	0.2
192.00661	0.2
193.01498	0.3
193.05045	0.2
195.06699	0.8
196.06903	0.4
197.07312	0.2
199.03978	0.2
199.09799	1.6
201.05594	0.5
201.11313	0.6
202.02667	0.2
203.03592	0.3
203.07103	0.4
205.05025	0.6
207.10303	0.4
209.11844	1.7
210.12051	0.2
211.04019	0.5
212.04613	0.2
213.01920	0.3
213.05602	0.2
214.02705	0.2
217.01491	0.2
217.04988	0.2
225.07635	0.8
225.11339	0.4
226.08055	0.4
227.03508	1.0
227.12781	0.3
228.04092	0.3
229.05063	0.6
230.02150	0.2
239.03554	0.2
241.10692	0.2
243.02936	0.3
244.07332	0.2
245.04489	0.4
247.06200	0.2
253.09351	0.3
255.02948	2.1
256.03488	0.6
257.04593	0.3
259.98676	0.2
271.02542	0.5
271.06107	2.5
272.06430	0.2
273.03989	0.4
283.02469	0.6
283.11981	0.2
284.03290	0.6
285.03970	1.0
286.04239	0.3
287.05524	0.3
288.06277	0.3
289.07187	0.3
299.01990	0.2
300.02756	1.3
301.03531	100.0
302.03882	10.2
303.04791	0.2
327.21698	0.3
329.23221	0.4
341.06732	0.2
375.27731	0.7
376.27936	0.2
411.28973	0.2
423.23862	0.2
465.32303	0.2
481.31497	0.3
482.35947	0.3
483.23236	0.3
483.33273	1.1
484.33771	0.2
488.10510	0.2
493.24542	0.5
571.61816	0.6
572.12183	0.5
580.11975	0.2
582.15271	0.9
609.29053	0.7
627.30005	0.3
645.18396	10.0
645.29645	6.1
646.18732	2.5
646.29877	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01456	0.1
54.49577	0.1
55.01877	0.2
57.03438	0.3
58.00578	0.1
59.01089	0.2
59.01376	3.6
60.99290	0.1
61.98827	4.6
65.00295	0.1
69.03452	0.6
71.01384	3.2
71.05032	0.2
72.99313	0.3
73.02937	0.6
75.00873	0.2
78.95907	0.2
80.02677	0.9
81.03456	1.2
83.01378	0.7
83.05029	4.9
84.02172	0.7
84.05357	0.1
85.02954	1.1
87.00865	0.6
88.71030	0.1
89.02451	2.1
93.03465	0.3
95.01401	0.3
95.05016	0.6
96.96021	0.2
96.97001	0.1
97.02982	0.3
97.06618	0.2
99.00885	0.1
101.02450	3.0
102.02731	0.1
107.01387	0.2
109.02971	0.3
109.06603	0.3
111.08147	0.1
113.02453	1.7
116.92872	0.2
119.03503	0.6
119.05016	0.3
121.02987	0.3
121.18357	0.1
122.03745	0.4
122.06116	0.2
123.04539	0.4
123.08134	0.1
124.01711	0.2
125.02501	0.7
125.06104	0.2
125.09723	0.4
127.11311	0.2
131.03471	0.1
133.05208	0.1
134.03720	0.3
135.04489	0.2
135.08168	0.5
137.02467	0.9
141.09192	0.2
143.03532	0.4
145.02953	0.3
149.02441	0.2
150.03311	0.2
151.00412	0.8
151.04086	0.3
151.11331	0.2
152.07185	0.5
153.07468	0.1
153.09209	0.3
153.12894	0.9
160.01639	0.3
161.04626	1.2
161.05965	0.3
163.11302	3.4
164.01129	0.2
164.11610	0.2
165.01923	1.6
165.12865	2.1
166.13054	0.2
167.10759	0.1
169.12354	4.2
170.12653	0.3
171.10258	1.2
175.03998	0.6
177.02013	0.1
179.03497	0.2
179.05611	0.4
179.10759	0.5
181.12338	0.6
183.10271	0.2
189.01942	0.1
191.05649	0.2
191.10756	1.0
193.04990	0.3
195.13934	0.2
197.11835	68.9
198.12184	4.4
199.13416	0.5
201.11331	2.4
203.07069	0.2
205.12325	0.2
207.10315	0.2
209.11830	100.0
210.12167	7.4
210.14223	0.3
211.13307	0.1
214.10669	0.1
217.01439	0.3
223.13400	2.3
224.13638	0.3
227.12881	13.9
228.13181	1.2
235.08199	2.1
235.13338	0.7
250.83948	0.1
253.09268	8.4
254.09558	0.4
271.06088	0.7
273.06686	0.2
285.12494	0.2
286.12802	0.4
287.05606	0.2
288.05765	0.1
289.07138	0.1
356.04587	0.1
360.16205	0.2
368.56567	0.1
371.22171	0.3
389.23190	0.6
407.24503	0.4
415.19812	0.5
433.20718	2.2
434.20895	0.2
445.20746	1.9
446.21399	0.2
459.22324	0.3
463.21640	0.4
491.22659	0.2
561.34814	0.2
567.25159	0.6
607.31226	0.8
608.31909	0.2
611.24347	0.8
625.32556	0.9
626.33386	0.1
643.27405	3.1
644.28009	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
61.98825	11.5
71.01387	3.1
71.40520	2.1
78.95884	1.2
80.05067	3.3
83.01409	1.6
89.02462	1.1
94.06631	5.4
96.95993	1.1
97.02977	1.2
101.02446	1.1
104.05107	1.0
106.06626	2.6
107.03779	7.4
109.02976	3.5
119.04999	1.2
120.07379	1.5
120.08200	21.0
121.02957	1.3
121.05334	1.1
122.03732	2.5
122.06133	77.3
123.04539	1.9
123.06477	3.1
124.07695	2.1
125.02449	1.6
132.04536	2.7
134.06142	8.8
135.04539	3.3
136.07669	1.4
137.02458	8.4
139.02846	1.6
145.02966	1.2
149.02493	1.0
150.05579	1.4
151.00388	5.2
152.07181	85.1
153.07516	4.5
158.02434	0.9
160.04042	1.6
161.02481	1.1
162.03218	1.0
164.01218	0.9
164.07146	1.5
165.01945	16.0
174.05565	1.5
175.04051	1.1
177.02040	0.9
179.03526	1.6
180.67879	0.9
190.05128	2.6
197.11850	7.1
200.07069	1.4
203.07138	1.2
203.93474	1.0
205.05093	1.4
209.11908	5.9
211.12465	1.2
221.10936	0.9
222.08002	0.9
223.08766	8.0
224.09496	3.3
225.10277	3.0
227.12953	1.9
235.12456	2.5
236.09563	1.7
237.10300	11.5
238.10982	3.8
238.33110	1.2
239.11807	7.1
240.12077	1.2
241.13570	1.0
245.12933	3.7
247.08427	0.9
249.06764	1.3
249.10248	1.4
250.07297	1.0
251.08191	2.2
251.11839	7.1
253.09500	1.4
253.13530	2.0
261.10413	1.4
263.08237	5.5
263.11832	1.3
264.08936	10.9
265.09695	8.5
266.10278	1.2
267.11411	1.7
271.06125	3.7
271.10773	2.1
276.09015	2.2
277.09830	4.0
278.10526	6.5
279.11365	42.0
280.11810	8.0
281.12967	1.5
283.10846	1.5
287.05667	2.8
287.13913	1.2
291.11322	9.0
292.11960	3.4
293.12796	1.3
295.10855	3.2
305.09238	2.2
311.13892	1.9
313.11734	2.3
323.10275	8.3
324.11050	2.6
325.11871	2.9
335.10660	1.4
342.16302	1.3
355.13049	2.7
356.13876	1.0
360.17123	2.6
373.17938	1.3
374.18378	1.1
376.20300	1.3
398.19083	1.2
402.18195	11.3
403.18683	2.2
404.19650	2.1
414.17975	1.7
416.19867	2.2
417.20596	1.3
426.18842	1.2
444.19275	11.3
445.19769	3.8
447.18088	1.1
448.18683	5.0
460.18951	1.5
461.19806	2.0
481.22394	1.2
488.18234	22.2
489.18930	18.3
490.19189	1.4
507.19357	1.1
520.20819	41.1
521.21338	9.5
525.25732	1.3
567.26117	30.4
568.26556	6.6
583.25830	1.3
611.25208	100.0
612.25464	26.4
643.27777	61.1
643.36121	1.7
644.28070	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	643.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61075	0.3
57.03448	0.5
57.54353	0.3
59.01101	0.6
59.01379	8.0
59.08367	0.3
60.99305	1.3
61.98832	11.2
68.99835	0.4
69.03445	1.0
69.36444	3.0
71.01383	5.9
72.99313	5.3
73.02943	0.6
83.01390	3.5
85.02963	1.9
88.98814	8.0
89.02441	4.1
89.99130	0.9
90.99240	1.1
91.00369	0.4
92.60461	0.3
93.03477	2.5
94.03048	0.3
95.01388	0.8
95.05049	0.4
97.02956	3.1
101.02452	3.8
107.05062	0.4
108.02175	2.0
109.02966	8.2
112.28775	0.3
113.02477	2.5
119.03484	1.2
119.05020	0.8
121.02965	4.1
122.03767	7.4
123.00934	0.5
123.04547	6.0
124.01677	2.3
124.83366	0.4
125.02478	2.5
135.04530	1.7
136.01680	1.0
137.02460	24.2
138.03094	1.2
139.03989	1.2
145.02957	1.3
146.03720	0.9
147.04526	0.5
148.05194	0.6
149.02452	3.1
149.06102	0.4
150.03255	0.6
151.00385	1.1
151.03992	3.8
154.02737	1.6
159.04465	1.7
161.02452	1.9
161.04744	0.6
161.06087	3.7
162.03214	1.0
163.00406	0.5
163.04077	1.8
164.01161	4.4
165.01949	31.6
165.05560	1.1
166.02432	1.2
173.06104	0.7
175.04007	1.4
175.07600	0.5
176.04698	0.5
177.05597	1.9
179.03508	4.0
185.06035	0.4
187.04005	2.2
188.04755	0.8
190.02711	0.4
191.03487	0.4
201.05580	1.2
202.06381	0.9
203.03534	0.7
203.07135	5.8
204.04233	0.6
204.07498	0.5
205.05048	9.1
206.05452	0.6
211.04182	0.3
211.07661	1.6
227.03459	1.0
229.04988	0.7
231.03105	0.6
243.02931	0.5
243.06697	0.5
244.07339	1.5
245.07986	0.6
247.06097	1.3
255.02968	3.7
259.06024	0.4
271.02426	2.2
271.05896	0.9
283.02368	1.8
284.03201	3.2
285.04071	2.2
287.05539	0.6
288.06320	1.4
289.07208	0.4
299.01920	1.3
299.16379	0.5
300.02768	3.3
301.03467	0.9
366.32886	0.4
375.27408	0.4
395.22043	0.9
419.22302	3.5
420.22931	0.6
463.21564	0.7
465.07510	0.8
479.22778	1.3
480.22714	0.5
481.22305	2.1
491.22931	3.0
492.23447	0.8
493.24258	0.6
571.11768	5.8
572.57904	0.4
592.42645	0.4
599.28680	1.1
643.27661	100.0
644.28009	22.0
644.38910	0.8
649.87317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69448	0.2
55.01875	0.4
57.03463	0.6
58.00613	0.5
59.01376	9.5
61.98829	6.5
61.99150	0.3
63.20433	0.2
64.69598	0.2
64.89910	0.2
69.03447	0.8
71.01380	5.8
72.99310	0.9
73.02929	0.3
74.48519	0.3
75.60110	0.2
75.78867	0.2
76.63589	0.2
77.03967	0.3
78.95929	0.4
81.03455	0.4
83.01394	3.7
85.02966	1.3
87.00889	0.3
88.98824	0.7
89.02449	4.3
93.03461	1.8
95.01400	1.5
95.05022	0.3
96.96010	0.3
97.02955	3.3
99.00852	0.3
101.02454	3.7
107.05077	0.4
108.02182	1.7
109.02963	8.5
109.03703	0.4
110.03315	0.2
113.02445	1.7
117.03474	0.3
119.03511	1.2
119.05046	0.7
121.01658	0.2
121.02977	3.8
122.03754	9.3
123.00906	0.3
123.04552	6.9
123.09521	0.2
124.01675	2.8
125.02477	1.9
131.03555	0.3
135.04561	1.8
136.01692	1.0
136.59056	0.2
137.02463	25.9
138.03316	1.5
139.04065	2.0
143.05037	0.3
145.02979	1.0
146.03711	1.5
149.02467	2.5
149.06136	0.5
150.03229	1.1
151.00381	0.6
151.04024	3.4
153.01959	0.5
153.05577	0.5
154.02713	1.3
159.04538	2.4
160.05386	0.3
161.02490	1.4
161.06087	3.6
162.03278	1.4
163.00363	0.6
163.04027	1.5
164.01170	4.6
164.04822	0.3
165.01945	37.5
165.05609	0.9
166.02312	1.7
168.00607	0.3
171.10327	0.3
171.16185	0.3
173.06105	0.8
175.04021	1.4
175.07651	0.6
176.04715	0.3
177.01956	0.6
177.05580	2.2
178.02771	0.7
178.06192	0.4
178.94850	0.2
179.03516	3.9
185.06111	0.4
187.04021	2.1
188.04776	1.1
189.05377	0.4
191.14423	0.2
201.05574	1.0
201.45979	0.3
202.06383	0.8
203.03528	1.0
203.07144	6.2
204.04248	0.9
204.07376	0.4
205.05066	9.5
206.05464	0.7
209.11865	0.5
231.03035	1.1
231.27193	0.3
243.06738	0.3
244.07303	1.4
247.06224	1.5
271.06091	0.4
272.79037	0.2
285.04037	0.4
287.05515	0.3
288.06509	1.3
289.07080	0.4
379.87006	0.3
395.22528	0.7
419.22247	3.4
420.22418	0.6
463.21115	0.8
479.22998	1.5
481.22391	2.1
491.22855	2.8
492.23251	0.4
493.24432	0.4
519.22412	0.5
533.23785	0.8
571.11432	0.4
599.28650	1.7
600.28986	0.4
637.09363	0.4
643.27686	100.0
644.27997	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	643.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.65257	0.2
57.03449	0.4
58.00592	0.4
58.89885	0.2
59.01376	8.3
61.98835	2.6
68.99815	0.3
69.03457	0.7
69.36765	1.8
69.37173	0.4
71.01386	5.4
72.99301	0.6
73.02940	0.4
75.00891	0.3
75.28299	0.2
77.03943	0.5
78.95905	0.2
81.03463	0.4
83.01391	3.8
85.02939	1.4
86.47688	0.2
87.00899	0.4
88.98817	0.7
89.02444	4.4
93.03478	1.8
95.01386	1.3
95.05046	0.3
96.96035	0.6
97.02960	3.8
98.19906	0.5
101.02448	3.9
107.05083	0.3
108.02206	1.5
109.02965	9.0
110.03313	0.3
113.02456	2.0
115.05615	0.2
116.92883	0.3
119.03519	0.8
119.05061	0.4
121.02970	4.0
122.03761	9.0
123.00883	0.3
123.04562	5.2
124.01672	2.9
124.04837	0.3
125.02461	3.4
126.02783	0.5
133.02979	0.3
135.04518	2.1
136.01698	1.0
137.02460	27.0
138.01915	0.2
138.03163	1.8
139.04022	2.1
145.02966	0.9
146.03760	1.4
147.04553	0.3
148.05327	0.3
149.02463	3.1
149.06204	0.3
150.03220	1.0
151.00398	1.1
151.04030	3.0
153.01956	0.7
154.02734	1.5
157.06621	0.2
159.04504	1.9
160.05357	0.4
161.02466	1.8
161.06067	4.2
162.03207	1.2
162.06465	0.4
163.00322	0.5
163.04002	1.9
164.01172	5.5
165.01944	37.2
165.05617	0.7
166.02336	2.3
173.06120	0.6
174.03242	0.2
175.03984	1.9
175.07622	0.6
176.04692	0.4
177.02014	0.7
177.05557	2.2
178.02692	0.3
179.03525	4.2
180.04153	0.5
185.06088	0.6
187.04028	1.7
188.04828	1.2
189.05554	0.4
191.03505	0.4
201.05612	1.5
202.06323	1.0
203.03519	0.7
203.07132	7.8
204.04286	1.2
204.07523	0.6
205.05069	10.2
206.05441	0.8
229.04929	0.7
231.03032	0.9
243.06700	0.3
244.07448	1.3
245.08061	0.5
247.06161	1.6
270.05237	0.4
272.80374	0.3
285.04047	0.5
287.05392	0.8
288.06433	1.9
289.06979	0.4
303.05130	0.4
304.05612	0.5
305.05603	0.4
353.17761	0.3
395.22238	1.1
419.22299	3.5
420.22937	0.4
463.21146	0.4
479.22910	1.1
491.22885	1.9
493.24384	0.4
521.23682	0.3
525.63159	0.2
533.23737	0.8
599.28894	1.4
623.34247	0.3
643.27692	100.0
644.28009	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	643.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03445	0.3
58.00588	0.4
58.99253	0.3
59.01377	8.3
60.11552	0.3
61.98831	1.0
69.03465	0.6
69.57444	0.9
69.57853	1.0
71.01385	5.4
72.99295	0.4
77.03970	0.3
83.01388	3.0
85.02953	1.4
87.00905	0.3
89.02448	3.8
89.02954	0.5
93.03465	2.3
95.01408	1.3
95.05054	0.3
96.02199	0.3
97.02966	3.5
98.54285	0.3
99.00877	0.4
101.02448	3.4
108.02156	1.6
109.02969	7.6
110.03337	0.3
113.02440	1.8
118.92753	0.3
119.03517	1.1
121.02977	3.4
122.02911	0.6
122.03760	8.7
123.00854	0.5
123.04558	4.7
124.01665	2.5
125.00171	0.3
125.02489	2.0
133.02940	0.3
133.06602	0.3
134.03818	0.4
135.04535	1.7
136.01707	0.7
137.02461	25.0
138.03365	1.4
139.04036	2.0
145.02959	0.8
146.03735	1.1
148.05321	0.4
149.02455	3.5
149.06102	0.4
150.03233	1.2
151.04012	3.1
152.04440	0.3
153.01918	0.4
154.02736	1.6
159.04504	2.1
160.05319	0.5
161.02490	1.5
161.06090	3.6
162.03209	1.5
162.06544	0.3
163.04042	1.2
163.99892	0.5
164.01181	5.3
164.04787	0.4
164.35063	0.3
165.01944	35.2
165.05574	0.8
166.02286	1.6
173.06129	0.4
175.04095	1.0
175.07645	0.5
176.04741	0.3
177.05574	2.1
178.02795	0.3
178.06364	0.3
179.03513	4.4
185.06146	0.3
187.03975	2.1
188.04774	1.1
189.05415	0.4
191.03436	0.4
201.05574	1.1
202.06349	0.9
203.03511	0.6
203.07126	5.7
204.04260	0.7
204.07426	0.4
205.05064	9.4
206.05383	0.6
217.58366	0.3
229.05119	0.6
231.02975	1.0
243.06725	0.4
244.07391	1.3
247.06133	1.3
288.06378	1.6
395.22189	1.0
419.22382	3.2
437.23514	0.4
463.20908	0.9
464.43835	0.3
479.22745	1.3
481.22379	2.1
491.22849	2.0
492.23016	0.3
519.22754	0.4
533.23743	0.9
599.28662	2.0
600.28711	0.4
643.27704	100.0
644.28003	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	643.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01377	16.6
61.98832	59.5
62.38444	0.8
62.98531	0.9
63.99240	0.7
65.00302	1.3
69.03452	1.0
71.01385	12.8
72.99312	1.8
73.02960	3.4
75.00880	1.5
78.95897	1.5
81.03474	3.3
83.01395	6.1
83.05019	1.3
85.02964	4.8
87.00888	1.4
88.98820	9.1
89.02439	6.5
91.01911	3.7
93.03471	8.3
95.01422	2.5
95.05034	1.2
96.96019	2.8
97.02966	5.8
97.06675	0.7
99.04424	0.7
101.02447	8.9
105.01967	0.7
107.01433	2.1
107.38690	0.6
108.02186	3.3
109.02979	11.2
111.04519	0.9
113.02441	3.9
113.43964	0.8
116.92886	5.4
117.03467	1.5
117.23274	0.7
119.03518	2.1
119.05051	3.9
121.02986	8.3
122.03765	14.1
123.00857	1.5
123.04546	11.2
123.08194	0.8
124.01704	6.7
125.02470	12.7
131.27319	0.8
135.00902	1.8
135.04582	3.6
135.08186	2.2
136.01700	3.1
136.05325	6.1
137.02464	52.7
137.09727	1.2
138.02786	2.1
139.04028	2.0
139.15524	0.8
145.02986	2.9
149.00677	1.0
149.02458	3.8
149.06129	1.1
149.99593	1.3
150.03261	2.0
151.00394	8.6
151.04005	5.9
151.07643	0.8
152.01131	0.9
153.01970	2.5
153.05565	0.9
153.09283	0.7
154.02719	3.0
155.10803	1.6
155.59087	0.9
159.04521	2.8
161.02481	4.3
161.04652	1.6
161.06071	3.3
162.03287	1.6
162.06699	1.1
163.00333	1.0
163.04041	3.2
164.01152	9.2
165.01952	81.6
165.09195	4.2
166.02377	5.6
167.03496	0.9
168.00639	1.7
169.01401	0.8
173.06068	0.8
175.03995	3.1
177.01956	1.9
177.05623	0.8
178.99872	7.9
179.03523	10.2
180.04298	11.8
181.05013	2.6
182.95131	0.7
183.04526	1.7
183.14055	1.1
185.06105	1.2
187.04091	4.1
187.07729	1.0
188.04689	1.2
189.02008	2.3
189.05698	1.0
193.05106	0.9
195.06650	15.1
196.07063	1.5
197.00932	0.7
197.11824	3.1
199.09755	0.8
199.13438	0.8
201.05562	2.5
202.06415	1.0
203.03571	1.2
203.07159	6.9
205.05055	8.5
209.11867	3.7
210.05318	2.6
211.04031	1.3
211.07755	1.4
213.05611	1.1
215.07301	1.1
217.01479	1.0
225.07681	15.9
226.08179	1.0
227.03499	4.5
227.06987	1.0
229.05075	1.0
229.39189	0.8
241.05261	0.8
243.03046	1.2
243.06580	1.1
244.07399	2.5
245.08118	1.7
247.06227	1.1
255.02943	9.7
255.15962	2.1
259.06152	1.0
271.02536	6.3
271.06015	8.9
272.06213	1.1
283.02518	5.1
284.03311	6.3
285.04010	12.7
287.05603	4.5
288.06461	3.6
289.07007	1.4
299.01953	3.4
300.02728	7.4
301.03500	12.3
327.21768	1.1
329.17551	1.5
341.06781	2.0
375.27560	2.2
393.20224	1.0
417.15631	2.3
418.09967	1.2
419.22293	2.3
437.23132	2.1
463.20810	1.0
479.21744	1.8
480.21149	3.5
481.22098	19.3
481.35709	13.5
482.22653	2.4
482.35669	2.9
491.22928	7.7
492.23233	2.2
528.19928	0.8
563.11926	1.5
570.12903	1.0
571.11682	11.2
571.61926	1.6
579.11444	2.5
580.15759	1.6
581.15033	1.6
595.21686	2.0
599.28656	2.2
607.28394	1.3
643.27771	100.0
643.37061	12.0
644.28107	23.5
644.36829	1.6
667.39337	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56143	0.1
57.03466	0.1
57.41416	0.1
59.01372	1.2
61.98828	100.0
62.98539	0.2
65.50262	0.1
69.66627	0.1
69.67039	0.5
71.01396	0.6
72.99326	0.1
73.02952	0.1
75.00867	1.4
83.01411	0.1
85.02969	0.4
87.00902	0.2
87.04521	0.2
88.72141	0.1
88.98811	0.4
89.02448	0.2
93.03460	1.5
94.79645	0.1
95.01379	0.1
97.02953	0.1
99.00880	0.2
101.02484	0.3
108.02200	0.2
109.02979	0.2
113.02467	0.2
123.04546	0.1
125.02521	0.2
137.02448	2.2
137.09772	0.2
151.00417	0.1
151.03947	0.1
152.01170	0.1
153.01958	0.1
155.10805	0.8
156.11128	0.2
161.02435	0.2
163.03976	0.2
165.01836	0.1
166.18079	0.1
175.04071	0.1
177.04080	0.2
178.58017	0.1
179.03601	0.2
179.10767	0.1
181.08749	0.1
183.13921	0.1
184.14355	0.2
194.05814	0.2
199.09808	0.7
200.10168	0.2
209.08208	0.6
210.08701	0.2
212.04430	0.1
241.10924	0.3
255.03029	0.4
256.03516	0.1
283.02512	0.9
284.02924	0.5
285.03876	0.2
300.02841	0.1
332.56372	0.1
334.21826	0.1
338.62146	0.1
343.14005	0.2
430.09247	0.1
431.09613	0.2
481.17133	0.5
523.18231	0.1
562.19818	0.1
605.15558	0.4
606.15161	0.6
621.98297	0.1
641.37720	0.3
642.27423	1.5
642.38135	0.6
643.22443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25233	0.2
59.01381	1.6
60.99304	16.1
61.98829	6.2
65.00387	0.2
67.01890	0.2
71.01389	1.4
72.99282	0.2
73.02949	0.3
75.00878	0.2
83.01400	0.5
85.02966	0.5
87.00871	0.3
88.98811	100.0
89.02448	0.8
89.99166	1.1
93.03465	0.5
95.01367	0.3
95.20220	0.2
96.96033	0.3
97.02969	0.5
99.00854	0.2
101.02454	0.8
107.01410	0.5
108.02177	0.3
109.02964	1.7
111.00859	0.3
113.02453	0.6
116.92903	0.2
117.03495	0.3
119.05041	0.8
120.51800	0.2
121.02973	0.9
122.03786	1.1
123.00893	0.3
123.04538	1.2
124.01646	0.4
125.02460	1.5
133.02966	0.2
135.04530	0.5
136.01697	0.3
136.05344	0.2
137.02454	8.3
137.09669	0.2
138.02980	0.3
139.04027	0.5
145.02943	0.8
149.02455	0.8
150.03226	0.8
151.00398	2.0
151.04027	1.3
152.01091	0.4
152.04797	0.3
153.01947	0.2
154.02704	0.4
155.10808	0.5
159.04536	0.4
159.97815	0.2
160.01617	0.2
161.02463	0.4
161.04630	0.2
161.06030	0.4
162.03223	0.6
163.00363	0.2
163.03915	0.2
164.01160	1.3
165.01941	24.7
165.05585	0.8
166.02721	3.5
167.03474	0.6
175.03992	0.8
177.01970	0.4
177.04024	0.3
177.05576	0.4
179.03505	5.0
179.05153	0.2
180.04294	11.4
181.05080	3.7
187.04019	0.6
189.01982	0.2
190.02785	0.3
190.06465	0.2
193.05074	0.2
194.05910	0.9
195.02969	0.5
195.06628	15.3
196.06958	0.8
199.09854	0.3
203.07155	0.8
204.04286	0.2
205.05072	1.7
207.06648	0.2
209.11713	0.3
210.05322	2.1
219.06660	0.2
220.07439	0.5
225.07674	11.5
226.07974	0.6
227.03569	0.2
230.71167	0.2
255.03085	0.4
271.06110	2.6
272.06351	0.3
281.06833	0.2
283.02420	0.2
284.03119	0.5
285.03912	0.3
287.05637	0.3
288.06442	0.4
289.06979	0.3
300.02805	0.3
301.03641	0.9
329.17560	0.6
337.20248	0.8
346.86325	0.2
353.17847	0.2
357.16876	0.2
359.13956	0.3
387.10709	0.5
387.14862	1.4
388.15195	0.3
402.13062	0.4
403.13608	0.2
416.14929	0.2
417.10089	0.3
417.15564	5.7
418.15790	1.0
419.21997	0.3
463.21454	0.3
480.21078	0.5
481.22223	5.7
482.22815	0.9
553.13806	0.9
554.14215	0.2
565.20953	0.6
570.62903	0.3
571.11621	0.5
595.21826	7.4
596.22028	1.5
642.27148	0.2
643.27563	6.2
643.36633	0.5
644.28094	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	642.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32583	0.1
54.94523	0.1
59.01373	0.3
61.98827	100.0
62.28139	0.1
62.98540	0.2
65.00324	0.2
69.61321	0.4
69.61733	0.1
71.01391	0.3
73.02949	0.1
81.44774	0.1
83.01393	0.2
88.98836	0.1
89.02457	0.1
93.03473	0.5
97.02946	0.1
101.02475	0.1
107.01414	0.3
109.02967	0.1
111.95315	0.1
117.03493	0.1
119.05032	0.9
119.28990	0.1
121.02991	0.1
122.03775	0.1
122.06173	0.2
123.04599	0.1
125.02487	0.3
137.02452	1.0
139.04004	0.1
145.02994	0.6
151.00383	1.8
151.01555	0.1
151.04114	0.1
152.00740	0.1
152.07158	0.2
159.66278	0.1
161.02458	0.2
163.04012	0.1
165.01915	0.5
168.00623	0.1
177.01978	0.3
179.03520	0.1
189.01994	0.1
197.11743	0.1
203.07130	0.1
205.05173	0.1
209.11865	0.1
215.03816	0.1
216.72917	0.1
271.06091	4.7
272.06317	0.5
283.02594	0.1
285.04031	0.1
295.06357	0.1
307.08218	0.9
307.11319	0.1
308.08710	0.2
433.92691	0.1
480.21155	0.2
481.21826	0.1
491.22672	0.1
566.25134	0.2
570.13098	0.2
579.15106	2.4
579.28687	0.1
580.15381	0.6
641.36389	0.2
642.26611	0.4
642.36255	0.2
643.27313	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20110	0.0
57.03445	0.1
59.01369	0.3
61.98830	100.0
62.98537	0.1
62.99273	0.0
63.02400	0.1
65.00310	0.5
69.59470	0.2
69.59883	0.1
71.01389	0.3
72.99327	0.1
73.02947	0.1
83.01385	0.4
85.02977	0.1
87.00870	0.0
88.98833	0.1
89.02463	0.1
93.03470	0.6
97.02943	0.0
101.02454	0.2
107.01400	1.0
108.01756	0.1
109.02969	0.2
113.02480	0.0
117.03490	0.2
119.05039	2.2
120.05374	0.1
121.02969	0.1
122.03797	0.1
123.04539	0.2
124.01700	0.1
125.02472	0.6
126.02820	0.1
133.02965	0.2
135.04541	0.1
135.08220	0.1
136.05316	0.1
137.02435	0.4
138.02841	0.1
143.05034	0.1
143.58841	0.0
145.02963	1.1
146.03363	0.1
149.02467	0.1
149.99640	0.1
151.00391	4.1
151.03999	0.1
152.00714	0.2
159.04532	0.0
161.02457	0.6
161.04593	0.1
161.06111	0.1
163.04056	0.2
164.01115	0.1
164.04642	0.0
165.00665	0.1
165.01965	0.8
165.05644	0.0
165.09221	0.1
166.02234	0.1
168.00664	0.2
169.01379	0.2
175.00392	0.3
177.01964	0.5
177.05574	0.0
179.03520	0.1
180.04243	0.1
185.06078	0.1
187.04028	0.1
188.04454	0.0
189.01845	0.1
193.01407	0.1
195.06589	0.1
200.81363	0.0
203.07288	0.0
205.05016	0.2
211.07632	0.1
225.07684	0.2
227.03583	0.1
227.07079	0.1
229.05048	0.1
255.03001	0.2
259.06042	0.1
265.07086	0.2
271.06097	10.8
272.06445	1.0
273.06735	0.2
274.07022	0.1
283.02505	0.1
283.06030	0.1
284.03305	0.1
285.04022	0.2
287.05530	0.1
288.06421	0.1
295.06140	0.3
307.08224	2.1
308.08728	0.2
313.07092	0.1
323.12799	0.0
324.13144	0.1
371.13367	0.1
417.09885	0.0
459.09109	0.1
464.08652	0.1
479.33450	0.1
480.20956	0.2
480.33533	0.0
481.22305	0.1
489.21237	0.1
490.21420	0.1
570.12732	0.1
579.15125	4.5
579.28009	0.5
580.15466	1.2
641.26074	0.2
641.36035	0.1
642.26538	1.4
643.28247	0.2
643.36481	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03437	1.8
57.61614	0.6
59.01376	48.8
60.01686	0.8
61.98830	8.5
69.35289	4.6
69.35690	1.7
71.01382	9.6
71.01994	0.7
72.99317	1.1
73.02950	4.2
73.68552	0.6
78.95922	1.5
83.01413	3.1
85.02953	6.1
86.89465	0.5
87.00897	1.7
88.03967	0.6
89.02450	3.3
96.96029	0.7
96.96986	1.0
99.00883	1.5
101.02460	10.9
113.02451	4.1
119.03446	1.1
135.08229	0.9
150.06892	1.0
161.04582	0.9
183.13936	0.8
195.51122	0.6
197.11818	1.3
198.12206	0.7
211.13387	17.3
212.13751	1.1
257.80203	0.7
275.75293	0.6
419.35385	1.0
447.22528	1.3
479.37341	1.7
581.40436	2.8
623.41852	1.2
641.42798	100.0
642.43127	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	641.3931
Annotation	brassinolide-23-O-glucoside
Peak:m/z	Relative Intensity
53.15644	0.4
56.79563	0.4
57.03438	1.2
59.01376	3.8
61.98829	36.9
63.02410	2.3
63.02678	0.4
64.99996	0.6
65.00320	7.2
71.01383	3.5
71.61100	0.8
72.99281	0.5
73.02931	1.1
75.00878	0.6
78.63027	0.4
78.95887	1.8
81.03451	0.6
83.01395	6.0
83.05011	1.0
85.02943	1.7
88.98792	1.3
89.02425	1.4
93.03471	6.7
95.05016	0.6
96.96012	1.2
96.96935	0.6
97.02939	1.1
97.64336	0.5
99.47768	0.4
101.02441	2.7
107.01401	14.0
108.01701	0.8
109.02935	1.4
109.06588	0.7
111.04530	1.4
113.02490	1.2
116.92850	1.1
117.03472	1.9
119.05036	32.7
120.05350	2.8
121.02970	1.4
121.05743	0.5
121.06622	1.3
122.03761	0.5
122.06129	1.2
123.04542	2.7
123.08154	0.9
124.01721	0.6
125.02467	6.3
131.01439	0.6
133.02992	0.5
135.04530	2.3
135.08168	0.6
136.05313	30.1
137.02440	1.7
137.05681	1.8
143.05017	1.0
145.02965	6.8
146.03320	0.7
147.08157	1.2
148.05313	0.5
149.02402	0.5
149.06091	3.8
150.03242	0.8
150.06879	3.4
151.00386	54.5
151.03990	1.2
152.00734	4.4
152.07133	1.1
152.99594	0.7
153.00813	0.7
159.04462	0.5
160.01688	0.6
161.02501	0.9
161.06125	1.8
161.09770	0.5
162.06833	1.0
163.04012	1.5
163.07632	1.9
163.11320	0.9
164.01141	0.6
164.04738	1.3
164.08427	1.2
165.01952	3.3
165.09219	34.7
166.09528	2.5
167.03397	0.5
169.01443	3.3
175.00356	1.1
175.04030	0.8
177.01933	5.1
177.09200	0.6
179.03593	0.6
181.12340	1.7
185.06050	2.0
187.03999	2.0
189.02028	0.6
191.05600	1.0
195.10236	1.4
197.11800	1.9
201.11333	0.5
205.04947	0.6
207.10217	1.4
209.11836	2.6
211.13324	1.8
225.11331	5.6
226.11639	0.8
227.07196	2.8
227.12822	0.5
231.10217	0.8
249.11200	1.3
253.09062	0.7
263.12958	0.7
267.12363	0.7
271.06094	100.0
272.06412	18.1
273.06680	4.5
285.12476	1.2
289.06885	0.6
291.12393	6.2
292.12732	0.9
295.06119	0.8
309.13358	0.8
313.20181	0.7
313.23795	14.0
314.24121	1.1
319.18668	0.4
369.15524	8.9
370.15817	1.0
461.19925	0.6
461.32697	6.5
462.33173	1.0
478.33130	2.7
479.20731	1.9
479.33795	23.5
480.20944	0.8
480.34052	4.3
493.35129	1.4
499.28967	0.5
521.34802	0.9
565.24609	1.2
606.38879	1.4
609.23602	1.5
623.32178	2.2
641.23090	5.6
641.39252	58.9
642.23376	1.0
642.39655	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	641.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03442	1.8
58.00592	0.6
58.22065	0.4
59.01376	45.8
60.01699	0.4
61.98822	5.9
69.58956	1.8
69.59386	1.2
71.01384	12.1
72.99294	0.7
73.02943	3.5
83.01398	3.2
85.02955	6.1
86.00114	0.5
87.00867	1.6
89.02452	4.6
89.92567	0.5
95.01386	1.2
99.00894	1.8
101.02446	12.7
101.89198	0.4
103.38961	0.4
111.00874	0.8
113.02454	4.8
116.92822	0.4
119.03490	1.7
125.02467	0.9
150.06842	0.5
159.03023	0.6
161.04575	1.1
179.10840	0.4
183.13910	3.1
193.12321	0.5
211.13390	42.1
212.13708	3.1
212.75604	0.4
235.08308	0.7
253.09296	1.6
399.25360	1.3
412.19446	0.4
419.35287	0.9
429.21591	0.4
447.22156	3.0
448.22684	0.5
459.27475	3.8
460.27625	0.7
479.37405	1.2
485.32761	0.9
487.34406	0.4
545.34888	0.9
549.74335	0.4
579.42548	0.6
581.40546	2.7
582.41083	0.5
641.42798	100.0
642.43140	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.5
59.14429	0.4
61.98822	5.5
67.17065	0.5
69.30676	5.7
77.14091	0.4
80.05063	9.4
80.05537	0.7
81.05314	0.5
92.05058	0.8
94.06638	1.9
94.39023	0.5
95.01405	0.6
103.53034	0.5
104.05077	3.8
106.06631	3.3
107.03771	4.9
119.05023	1.4
120.04562	2.0
120.08178	2.2
121.05358	3.4
121.91885	0.5
122.06134	41.5
123.06441	1.8
124.07732	0.8
125.02483	0.9
130.06653	1.7
132.04561	3.1
134.06131	12.9
136.05328	1.1
139.02783	1.6
148.04103	3.2
150.05600	1.8
150.06776	0.8
151.00398	2.0
152.07184	52.9
153.07564	2.9
158.02518	1.3
159.05658	1.1
160.04190	2.5
160.06444	7.9
161.04787	1.8
162.05621	0.6
164.07123	0.8
164.62398	0.5
167.09869	0.5
174.05591	5.2
181.08716	0.8
186.05592	0.8
190.05110	2.7
197.07199	1.4
197.11810	0.8
198.12840	1.0
207.10255	0.7
210.07922	0.6
211.08675	1.1
211.13536	1.1
213.10329	35.0
214.10648	2.3
214.12459	0.9
223.08710	2.6
224.09431	1.1
225.10242	2.5
226.11058	3.7
227.11830	1.0
236.09592	0.9
237.10315	2.0
239.11884	22.7
240.12224	2.4
241.13458	19.0
241.15916	1.0
242.13759	1.3
245.12956	9.9
246.13316	0.7
249.06754	1.3
249.10258	1.1
250.07384	0.8
251.08212	0.8
251.11807	3.0
258.10132	0.9
263.08099	0.8
264.08643	0.5
265.09802	3.4
267.11469	1.7
269.12906	1.0
271.06088	3.4
272.06442	1.4
275.11856	0.7
277.09796	1.7
278.10666	1.0
279.11523	0.9
285.12433	75.7
286.12802	8.9
293.09628	1.1
293.12906	10.7
294.13275	0.9
295.10883	7.6
296.11313	1.3
297.12363	1.1
300.11505	0.6
307.10928	0.6
313.11835	5.4
315.14844	0.7
316.14529	2.4
317.15164	0.6
318.35486	0.6
319.10840	0.7
323.10324	11.6
324.10919	1.8
325.11829	4.3
326.12637	2.2
328.11032	4.1
328.14444	0.9
329.15280	0.7
330.12619	1.0
330.16071	0.8
332.17599	1.8
339.09860	1.6
339.13583	1.5
340.10693	0.7
340.14542	1.7
342.12488	3.5
343.13300	4.4
344.13821	3.1
344.17581	0.6
345.14648	0.9
355.09116	0.8
355.13049	8.0
356.13635	1.8
356.17749	2.8
357.14694	4.0
358.15594	25.3
359.15936	4.6
368.10327	0.8
369.14697	1.4
370.11905	3.1
370.15912	1.2
372.17154	1.0
382.15652	1.6
383.12305	0.8
384.13409	6.0
384.17188	1.0
385.13931	1.4
396.13583	0.6
397.14343	1.2
398.15131	1.0
399.15887	1.7
400.16660	18.1
401.17062	3.4
412.16647	5.4
413.17178	0.8
416.12372	0.7
461.28604	2.7
462.29196	1.0
479.37350	0.8
497.25339	2.5
509.21753	1.6
521.25549	0.8
523.23419	12.0
524.23871	3.6
537.25122	1.5
541.24481	1.0
565.24585	87.0
566.24933	21.2
566.33911	0.9
567.22705	0.7
568.22955	2.8
569.23529	0.9
581.24463	1.3
591.22711	1.3
597.27222	0.8
609.23663	100.0
610.23950	24.1
641.26233	26.9
641.36517	1.2
642.26587	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	641.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
57.43451	1.0
59.01378	13.5
61.98831	100.0
63.02392	2.6
65.00317	5.9
67.56809	0.9
71.01382	6.1
71.65273	1.4
73.02947	1.2
78.95917	2.5
79.71334	1.0
80.05061	6.1
81.03454	1.1
83.01375	7.6
83.05000	1.3
85.02930	1.6
87.00883	1.3
88.98810	4.8
89.02451	3.3
93.03480	7.0
94.06622	1.7
96.96016	3.2
97.02962	3.6
101.02460	4.0
104.05080	2.6
105.72112	0.9
106.06638	2.1
107.01397	11.2
107.03780	3.0
108.01674	1.5
109.02971	8.8
109.06584	1.2
111.04527	1.1
113.02450	2.2
116.92889	2.2
117.03486	2.4
119.03507	1.4
119.05035	20.0
120.04568	2.3
120.05372	4.6
120.08173	2.0
121.02963	5.8
121.05332	1.8
122.03767	5.2
122.06132	32.8
123.04552	7.7
123.06522	1.1
124.01687	3.1
125.02454	7.8
132.04536	2.3
134.06137	10.1
135.04593	6.1
136.05309	10.6
137.02458	19.8
138.03218	1.3
139.03931	1.6
145.02965	8.4
148.04044	2.9
149.02415	4.0
149.06154	3.3
150.03250	2.5
150.06831	1.5
151.00389	38.0
151.03989	6.5
152.00751	6.2
152.07193	48.0
153.00801	1.7
153.07501	3.3
154.02711	1.4
158.03920	1.0
160.04085	2.2
160.06424	3.2
161.02422	3.3
161.04768	2.0
161.06079	3.5
162.03160	1.5
162.05461	1.1
163.04001	2.8
164.01149	3.8
164.07138	1.1
165.01952	22.7
165.09239	11.8
166.02168	1.6
169.01352	1.1
174.05621	3.6
175.00429	1.0
175.07587	1.2
177.01892	3.8
177.91199	0.9
179.03514	3.7
181.12296	2.2
185.06090	2.5
187.04047	2.4
188.04726	1.4
190.05040	1.6
191.05508	1.7
201.05632	1.3
202.06268	1.2
203.07184	5.0
205.05055	6.1
206.33252	1.1
207.10194	1.9
209.11896	1.9
211.13431	4.6
213.10327	20.5
223.08643	2.6
225.11378	2.7
226.11008	2.0
227.07167	2.3
229.04971	1.1
236.09496	1.2
239.11887	17.4
240.12265	1.9
241.05107	1.3
241.13480	11.2
245.13019	7.0
247.05998	1.6
251.11884	1.8
265.09869	2.2
271.06097	64.5
272.06424	21.4
273.06659	12.3
277.09885	1.2
285.12427	44.7
286.12662	3.0
287.05597	9.5
288.06339	1.4
289.07233	2.7
293.12964	7.4
295.10818	3.1
297.12445	1.7
309.13315	3.1
313.12051	6.2
313.23853	6.2
315.15933	1.9
316.14682	2.4
323.10535	7.7
325.11890	3.2
327.15955	3.1
328.10837	3.2
339.95697	1.1
342.12326	2.4
343.13138	2.9
344.14236	4.8
351.08759	1.3
355.12997	4.5
356.13596	1.4
356.17657	2.7
357.14767	3.9
358.15579	21.5
359.15945	3.1
369.15427	5.2
370.11801	2.8
370.16248	1.3
372.16974	1.3
384.13477	3.6
385.14133	1.9
400.16638	13.6
401.16916	2.6
412.16586	3.0
435.21872	5.0
442.07907	1.1
449.08923	1.1
461.32614	2.9
479.20740	60.5
479.33612	8.1
480.21075	12.2
480.33517	1.3
497.25690	2.6
509.21548	2.6
521.25500	1.5
523.23517	12.1
524.24011	3.8
565.24603	49.8
566.25000	11.5
567.22736	1.2
568.23401	5.5
569.23590	1.7
579.14954	2.3
597.27063	2.0
609.23682	63.5
610.24054	13.6
623.31848	1.4
641.26074	50.8
641.38556	21.8
642.26416	13.9
642.38531	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	641.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81447	0.2
57.03447	0.6
58.10955	0.2
59.01377	1.3
61.98828	9.3
63.02393	1.8
65.00320	6.5
65.15852	0.2
66.00664	0.2
69.03423	0.3
70.81377	0.4
70.81720	0.3
71.01388	1.0
72.99335	0.2
73.02950	0.3
78.95911	0.7
81.03463	0.2
83.01391	5.2
85.02972	0.4
87.04507	0.8
88.98801	0.4
89.02437	0.3
91.01870	0.2
93.03468	5.2
94.03808	0.2
95.05029	0.5
96.96014	0.4
97.02958	0.5
101.02455	0.5
107.01398	12.3
108.01647	0.5
109.02968	0.6
109.06611	0.3
111.04506	0.2
113.02499	0.4
113.06153	0.2
117.03486	0.9
119.05038	29.6
120.05380	1.5
121.02968	0.7
121.06629	0.2
123.04531	0.9
125.02459	4.6
131.01390	0.3
135.04533	0.2
136.01639	0.2
136.05328	2.3
137.02466	0.9
137.05992	0.2
143.05063	0.5
145.02971	2.3
149.02470	0.6
149.06087	0.2
150.06941	0.2
151.00383	48.3
151.07698	0.2
152.00726	2.8
152.07082	0.2
152.99603	0.3
156.71765	0.2
159.04518	0.2
161.06065	1.0
161.09734	0.2
163.11295	0.4
164.01132	0.3
165.01952	2.7
165.09224	2.2
169.01445	1.9
175.00429	1.0
177.01933	4.2
178.02248	0.2
179.03540	0.3
181.12323	1.2
183.08208	0.3
185.06058	1.4
186.06702	0.2
187.04008	1.9
191.05530	0.3
191.33279	0.2
193.01460	0.2
195.10201	0.2
195.17690	0.2
197.11859	0.4
203.07095	0.5
205.12251	0.3
207.10234	0.5
209.11771	0.6
211.13405	0.8
225.11324	5.7
227.07112	1.7
228.07524	0.4
229.05161	0.5
231.10304	1.0
247.13347	0.5
249.11337	1.9
261.11151	0.2
263.12869	0.8
267.12296	0.5
271.06088	100.0
272.06433	10.6
272.08923	0.2
273.06653	0.9
273.11136	0.3
285.12656	0.2
291.12360	7.5
292.12653	0.8
295.06091	0.5
309.13290	1.6
313.23929	1.1
321.13782	0.2
337.07361	0.3
351.14471	0.4
369.15524	8.5
370.15628	1.0
461.19653	0.4
461.32693	0.4
476.68369	0.2
479.21243	0.4
479.33847	1.5
623.31311	0.2
641.22412	4.5
641.39276	3.6
642.23126	1.2
642.39575	0.5
657.23785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33789	0.1
57.03430	0.1
58.00589	0.2
59.01376	2.8
61.98830	100.0
63.02407	0.2
65.00320	1.2
66.11620	0.1
67.00726	0.1
69.03468	0.2
71.01386	1.9
72.99310	0.2
73.02956	0.2
75.00871	0.2
76.92223	0.1
78.95917	0.3
81.03465	0.1
83.01389	1.1
83.01815	0.1
84.01728	0.1
85.02960	0.7
87.00891	0.2
88.98833	0.3
89.02447	1.2
90.07720	0.1
93.03469	1.2
95.01408	0.3
95.05032	0.1
97.02966	0.5
98.20704	0.2
99.04514	0.1
101.02454	1.0
107.01411	1.9
107.05004	0.1
108.02216	0.3
108.31385	0.1
109.02970	1.5
110.03394	0.1
113.02458	0.7
116.92840	0.2
117.03486	0.4
119.03557	0.2
119.05038	3.9
120.05363	0.9
121.02953	0.7
122.03766	1.1
123.00909	0.4
123.04544	1.7
124.01691	1.4
124.04852	0.1
125.02464	3.4
126.02778	0.1
131.01283	0.1
133.02983	0.5
135.00894	0.1
135.04544	0.6
136.01625	0.2
136.05301	0.3
137.02467	2.8
138.02832	0.1
139.04018	0.3
143.05043	0.1
145.02960	1.7
146.03717	0.2
147.04483	0.1
149.02486	0.5
149.06018	0.1
149.99608	1.1
150.03287	0.1
151.00388	6.5
151.04015	0.8
152.00716	1.0
152.99690	0.1
153.00836	0.4
153.01938	0.1
154.02756	0.2
159.04553	0.2
161.02466	1.6
161.04802	0.1
161.06090	0.6
162.03076	0.2
163.04012	0.9
164.01143	0.3
164.04878	0.1
165.01950	3.7
165.09351	0.1
166.02356	0.2
167.03540	0.1
168.00661	2.2
169.01424	0.6
171.10327	0.1
171.39340	0.1
173.04645	0.1
173.06113	0.1
175.00389	0.5
175.04007	0.2
176.00801	0.1
177.01993	0.6
177.05585	0.2
178.02324	0.2
179.03539	0.6
185.06122	0.2
187.04077	0.4
189.02040	0.1
189.05574	0.1
191.03365	0.2
191.05643	0.3
193.01508	0.2
195.10239	0.1
201.05559	0.1
202.06412	0.1
203.03575	0.1
203.07080	0.2
205.05070	1.2
206.05426	0.2
209.11934	0.2
223.06398	0.1
225.11307	0.1
227.07147	0.3
229.05067	0.2
229.15834	0.1
229.20792	0.1
230.05586	0.1
231.02928	0.2
247.06070	0.2
253.09242	0.1
271.06100	12.7
272.06436	3.1
272.09357	0.2
273.06656	2.2
274.07043	0.2
279.10233	0.1
285.03940	0.2
287.05774	0.2
288.06339	0.2
289.07166	0.2
294.12531	0.1
295.06268	0.4
295.13342	0.3
297.06683	0.1
297.14804	0.2
299.01157	0.1
307.08173	1.7
309.11652	0.1
309.14865	0.5
311.12772	0.1
313.06775	0.1
315.16190	0.1
322.12036	0.2
323.12936	0.5
324.13470	0.1
329.23349	0.2
337.14383	0.5
338.14789	0.2
355.15479	0.2
367.10269	0.2
368.10687	0.3
369.10873	0.4
370.10880	0.1
393.20444	0.1
417.20868	0.1
430.25552	0.1
459.09183	0.1
461.19562	0.7
462.19980	0.1
474.14078	0.1
477.21490	0.2
479.20706	2.1
479.33466	0.4
480.20987	0.4
489.21274	2.0
490.21399	0.3
517.20831	0.3
579.14996	4.5
579.28137	1.2
635.54132	0.1
641.26385	13.5
642.26569	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	641.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03163	0.5
57.03447	8.7
59.01380	1.8
60.08924	0.5
60.99321	0.9
61.98831	10.0
63.02399	1.5
65.00323	6.2
68.99818	0.8
69.03443	0.5
71.01389	1.9
72.99319	0.7
73.02950	0.9
75.00873	3.4
81.03458	0.6
83.01391	6.4
85.02972	1.4
87.00881	0.8
88.98813	5.4
89.02464	1.3
93.03482	2.1
95.01385	0.8
95.05039	0.4
97.02983	1.0
101.02442	1.5
107.01398	8.4
108.02183	1.7
109.02967	5.6
111.00898	1.0
113.02479	0.9
116.92870	1.2
119.05013	1.0
121.02958	2.9
123.00905	1.1
123.04550	3.4
124.01661	1.7
125.02460	100.0
126.02781	3.3
131.01407	1.0
132.02182	0.8
133.02948	1.0
134.03772	1.4
135.04532	0.9
137.02486	4.5
138.40955	0.5
139.04051	3.2
145.02962	1.9
146.03741	0.6
147.04538	1.3
149.02461	12.8
149.06099	0.8
150.03181	1.9
151.00385	30.3
151.03966	3.2
152.01137	3.7
153.01955	34.5
154.02309	1.3
160.01695	2.7
161.02473	2.9
161.06091	0.9
163.00395	1.5
163.04015	1.5
165.01950	2.1
165.05547	0.7
166.02702	0.8
167.03490	3.2
169.01459	2.0
171.04533	0.8
172.05330	0.5
173.05963	0.6
173.78055	0.5
174.03239	2.1
175.00398	4.0
175.04001	14.1
176.01094	0.6
176.04321	0.7
177.01942	20.3
178.02440	1.0
178.99873	16.9
179.03477	1.2
180.00339	0.6
180.46936	0.5
181.01498	2.2
185.06175	0.7
188.04842	1.3
189.01971	0.6
189.05569	4.4
191.03539	2.8
193.01549	1.1
193.05060	1.6
195.01260	0.5
195.02925	2.2
197.06076	1.0
199.04012	6.5
199.09753	1.0
200.04472	0.7
201.01917	1.6
201.05493	0.5
205.01445	1.1
211.07620	0.8
212.04575	0.5
213.05609	1.5
215.03300	0.6
216.04213	0.9
217.05048	7.5
219.03033	0.8
229.05203	0.7
229.27115	0.6
231.06587	1.2
234.62515	0.5
235.06152	0.6
239.93985	0.5
241.05045	5.7
242.02234	0.5
243.02925	1.0
255.02783	0.8
256.03726	1.0
257.04446	1.1
257.08191	1.5
259.06113	4.2
267.02853	0.5
275.05585	18.5
276.06064	1.3
281.16959	0.5
283.02515	1.7
283.10355	1.7
284.03293	1.4
285.04050	58.3
286.04404	5.8
289.07507	0.6
299.05652	6.2
303.05084	85.4
304.05411	7.2
309.04028	1.1
324.59125	0.5
327.05093	1.7
341.06421	0.6
374.26334	0.9
375.27280	1.4
431.09796	1.3
479.20850	0.8
489.10266	1.8
490.11063	0.6
491.11975	8.5
492.12265	1.2
517.09839	5.9
518.09766	0.8
519.11414	0.6
544.14227	0.8
605.15063	1.2
606.15668	0.7
613.15796	5.7
614.16162	1.3
623.14221	3.9
624.14581	0.7
641.14233	3.0
641.27484	2.1
641.37463	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	640.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98522	0.2
69.21098	0.2
69.21511	0.8
74.87528	0.1
85.49683	0.1
94.11934	0.1
106.60950	0.1
169.06593	0.1
183.04475	0.1
184.02261	0.1
185.06142	0.1
189.05693	0.2
213.05669	0.2
214.02682	0.1
227.03629	0.1
229.05167	0.1
241.05035	0.1
243.02997	0.1
255.02995	1.9
255.05403	0.2
256.03461	0.1
257.04517	0.2
273.60004	0.1
283.02490	4.6
284.03061	0.5
285.04050	7.6
285.47809	0.1
286.04355	0.6
430.09024	1.3
431.09775	2.8
432.10431	0.3
507.99786	0.1
522.58203	0.1
577.15662	10.1
578.15991	1.7
578.24268	0.1
640.25018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98829	100.0
75.67499	0.1
76.28290	0.1
78.95907	0.9
83.05065	0.2
83.57761	0.1
94.13376	0.2
122.03912	0.1
125.02495	0.8
136.24355	0.1
137.02388	0.1
145.03064	0.2
152.99614	0.5
165.14778	0.1
167.03505	0.2
190.36569	0.1
211.13425	0.6
285.04095	0.3
289.07144	0.2
444.07388	0.2
487.71121	0.2
621.11011	0.2
641.34363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3762
Annotation	Cilistol j
Peak:m/z	Relative Intensity
52.05873	0.5
57.03443	1.0
59.01384	3.7
61.98830	63.9
62.20837	0.5
69.31446	2.4
69.31876	3.4
70.63058	0.6
71.01392	4.1
71.06398	0.5
77.47623	0.5
78.95902	5.2
83.05030	0.8
85.02955	0.9
88.98809	1.3
89.02431	1.5
93.03461	2.5
96.96024	1.5
99.04536	0.6
99.22582	0.6
101.02444	0.7
107.05046	0.7
109.02945	1.8
111.04495	2.0
116.92872	1.2
119.03523	0.6
119.05013	0.8
120.13885	0.6
121.02957	2.1
121.06584	2.5
122.03750	0.8
123.04527	0.9
123.08187	0.7
124.77448	0.5
125.02451	1.0
135.04526	2.3
135.08075	0.9
136.05316	49.8
137.02469	4.4
137.05640	2.2
137.09669	0.6
139.11285	0.7
145.02965	0.7
147.08199	1.6
148.05302	1.1
148.64906	0.5
149.06119	6.6
150.06902	5.3
151.00368	2.0
151.04016	1.0
152.99593	3.8
162.06857	1.9
163.04051	0.8
163.07684	1.7
164.04834	0.8
164.08449	2.3
165.01991	1.1
165.09225	57.0
166.09575	3.8
171.10252	1.0
173.74565	0.5
190.37729	0.7
209.11877	5.6
211.13374	4.5
249.15031	0.7
271.02582	0.5
271.06094	2.5
301.17969	0.6
311.22272	23.6
311.33667	0.6
312.22525	2.6
315.08691	3.1
395.14655	0.7
403.24948	0.8
427.28503	2.6
459.31143	10.9
460.31479	1.6
476.31311	3.7
477.19202	5.8
477.32080	36.0
478.20166	0.8
478.32535	9.0
487.30637	1.0
491.33932	1.8
501.32013	1.1
517.31366	1.0
519.33160	1.6
563.23413	0.7
575.26501	1.0
577.15216	0.8
577.33759	17.6
607.29041	1.9
621.34454	0.7
639.37646	100.0
640.38068	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	639.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92732	0.3
55.01863	1.1
57.03447	2.1
57.81941	0.3
58.00583	0.4
59.01376	11.2
59.26745	0.3
61.46373	0.3
61.98829	13.7
67.01881	0.4
68.99811	1.1
69.03448	1.2
71.01382	15.1
71.61865	0.5
72.98989	0.3
72.99313	3.8
73.02948	4.2
73.35236	0.3
73.55193	0.3
75.00877	11.7
76.01212	0.4
81.03447	0.3
83.01403	1.5
83.05038	0.5
85.02956	12.8
86.03286	0.6
87.00877	4.6
88.98820	1.8
89.01918	0.5
89.02448	5.1
91.04013	0.5
93.03481	1.1
95.01410	3.4
95.05029	0.8
96.96080	0.3
97.02972	0.3
97.06583	0.3
99.00897	7.6
100.01221	0.4
101.02448	4.1
103.00397	0.7
106.43001	0.3
107.05027	0.4
109.02950	0.8
111.00872	0.9
111.04517	0.4
113.02458	10.3
114.02760	0.9
115.00418	1.7
116.92841	0.8
117.01933	1.0
119.03495	0.8
119.05017	0.5
121.06590	0.4
123.04553	0.5
125.02471	0.9
127.04097	0.4
129.01961	1.2
131.03557	0.9
137.02449	2.0
145.03018	0.5
150.51373	0.3
151.00330	0.4
155.10779	1.7
157.01424	0.8
157.43684	0.3
161.09773	0.7
163.04031	0.5
163.06195	0.3
163.11301	3.7
173.04538	0.4
175.02431	1.4
175.03877	0.7
179.10793	2.2
180.11070	1.1
181.07191	8.5
181.12361	29.8
182.07455	0.6
182.12633	2.3
191.05643	0.5
191.91127	0.4
193.05095	0.3
199.09766	0.9
207.10269	0.5
225.11320	12.2
226.06322	0.4
226.11668	1.2
227.07104	0.3
231.05086	0.7
249.03789	0.3
249.06122	6.9
250.06447	0.8
251.06779	0.4
255.03014	1.7
256.03360	0.7
267.07315	0.6
271.02469	2.7
272.02756	2.1
273.03088	1.2
281.06622	0.5
283.02606	0.5
285.03900	0.4
296.03143	0.4
299.15018	1.2
300.02695	3.1
300.15170	0.4
301.03201	2.9
302.03320	3.1
371.23099	0.3
389.18173	0.5
413.18185	7.2
414.18427	0.8
445.11621	0.4
447.07077	1.1
457.16977	3.7
458.17404	0.6
475.18140	6.7
476.18463	0.8
477.18900	1.9
478.18872	0.4
528.68658	0.4
577.15710	0.6
579.29565	0.4
621.24213	0.9
639.15637	5.2
639.25000	100.0
640.16028	0.9
640.25354	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01373	1.4
61.98827	20.2
63.02391	2.1
65.00319	6.6
66.00665	0.2
70.21553	0.2
70.33475	0.7
71.01363	0.9
72.99315	0.2
73.02973	0.2
83.01385	4.9
85.02966	0.4
88.98817	0.3
89.02474	0.3
93.03466	6.1
94.03802	0.2
95.01372	0.2
95.24617	0.2
97.02993	0.5
98.19910	0.2
101.02456	0.6
107.01397	11.3
109.02998	0.4
113.02458	0.4
117.03475	0.5
119.05036	26.7
120.05355	1.2
121.02953	0.7
123.04498	0.5
125.02448	2.9
126.02811	0.3
131.01416	0.5
133.02930	0.3
135.04588	0.3
135.11813	0.3
136.05302	2.4
137.02458	1.1
143.05057	0.5
145.02942	2.1
149.02408	0.3
149.06104	0.3
151.00380	42.0
152.00696	1.5
157.06650	0.2
161.02359	0.2
161.06093	0.8
161.09691	1.2
163.04068	0.2
165.01935	1.9
169.01462	1.6
175.00407	1.1
177.01929	4.4
177.03500	0.2
178.02150	0.3
179.03462	0.3
179.10757	2.5
185.06134	1.1
187.04024	1.5
193.01434	0.8
199.07703	0.2
201.12820	0.2
203.10747	0.5
205.04968	0.2
209.11781	0.3
211.13387	0.5
219.02820	0.2
221.11754	0.3
223.09735	0.7
227.07166	1.5
229.05139	0.4
229.08682	0.3
231.10229	0.3
245.11800	0.2
247.09644	0.3
265.10828	0.7
271.06082	100.0
272.06418	10.0
287.05698	0.2
289.10818	0.7
295.06171	0.9
307.11838	0.8
313.07132	1.2
334.22784	0.2
367.13974	3.5
368.14304	0.5
459.31116	0.3
477.19214	0.7
477.32346	0.8
478.33304	0.2
584.54291	0.2
595.21735	1.1
596.21661	0.4
639.21204	2.5
639.37372	1.9
640.21381	0.5
640.36017	0.4
652.49951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01378	1.1
61.98830	8.3
62.84817	0.1
63.02401	2.2
65.00325	6.1
69.30309	0.3
69.30718	1.0
70.20531	0.1
71.01379	0.8
73.02956	0.2
78.95914	0.3
81.03485	0.3
81.82470	0.2
83.01390	4.7
85.02951	0.3
88.98818	0.4
91.73083	0.2
93.03473	5.4
94.03793	0.2
95.05016	0.1
96.96047	0.7
97.02965	0.4
101.02446	0.6
105.42529	0.1
107.01405	11.6
108.01702	0.3
108.95772	0.1
109.02959	0.2
113.02454	0.4
117.03484	0.5
119.05044	25.6
120.05366	1.2
121.02990	0.5
123.04601	0.2
125.02473	3.2
131.01436	0.2
133.02948	0.2
133.10303	0.2
135.04469	0.2
135.11816	0.4
137.02454	0.8
140.01373	0.2
143.05035	0.6
144.22519	0.1
145.02965	1.6
149.02444	0.2
151.00397	41.0
151.99644	0.2
152.00743	1.7
159.04666	0.1
159.08168	0.2
161.02525	0.2
161.04822	0.2
161.06102	0.6
161.09760	1.0
163.04041	0.2
163.07698	0.2
164.01164	0.4
165.01959	2.3
166.02237	0.2
169.01462	1.9
171.08136	0.2
171.10294	0.2
175.00398	1.1
177.01949	4.4
178.02336	0.2
179.03563	0.3
179.10794	2.6
184.05202	0.2
185.06093	1.1
187.04002	1.4
189.01941	0.2
193.01439	0.7
203.07127	0.3
203.10770	0.3
205.08690	0.2
209.11844	0.4
211.13437	0.4
221.11694	0.2
223.09796	0.6
227.07150	1.5
228.07700	0.2
229.05040	0.3
229.08778	0.3
231.10258	0.2
247.09720	0.4
265.10895	0.7
271.06100	100.0
272.06436	8.8
285.07675	0.2
288.86139	0.1
289.10867	0.4
295.06198	0.9
296.06415	0.2
307.11813	0.8
313.07199	1.2
314.07806	0.2
318.69739	0.2
323.15094	0.3
367.13980	3.8
368.14334	0.5
433.11346	0.3
477.19119	0.5
477.36099	0.3
483.27036	0.1
484.98938	0.2
595.13416	0.2
595.21967	2.0
596.22168	0.5
639.20624	4.4
640.21362	1.2
640.31726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01369	3.1
60.99293	1.3
61.98838	1.4
67.01887	4.3
69.03455	1.0
71.01379	4.4
71.56553	0.5
72.99322	0.5
73.02961	0.7
74.14964	0.3
75.00873	0.7
79.30776	0.3
81.03463	1.2
83.05017	0.8
85.02953	5.7
86.03262	0.4
87.00883	5.5
88.98821	0.5
89.02438	0.9
93.03465	28.6
94.03795	1.2
95.01430	0.6
99.00864	0.6
99.04524	0.6
99.16132	0.3
101.02443	0.9
109.02956	1.2
111.00909	0.8
111.03809	0.6
111.04526	5.4
113.02460	1.1
116.92853	0.6
119.05041	14.3
120.05370	0.5
121.02984	2.0
125.02454	1.2
127.04009	1.4
129.01953	0.8
137.02451	2.4
145.02965	2.0
151.00363	0.6
153.01942	0.3
155.03499	2.9
163.04018	14.3
164.04347	0.9
165.04083	0.5
167.05162	0.3
171.02966	0.4
173.04558	60.9
174.04927	1.9
177.01945	0.7
177.03986	0.4
179.05539	0.4
191.05617	100.0
192.05946	4.2
195.04979	0.4
211.07658	0.5
215.08144	0.3
223.53645	0.3
227.62621	0.4
229.05066	0.9
243.06502	0.4
255.02942	0.9
271.06110	3.4
297.04068	1.4
315.05014	0.6
337.09277	46.6
338.09601	4.7
341.09042	0.4
402.90634	0.3
461.10696	0.8
491.16971	0.5
560.78876	0.3
639.15161	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	639.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60403	0.1
53.85632	0.1
57.03440	0.4
59.01379	0.7
59.93231	0.1
61.98830	4.2
63.02391	1.9
65.00320	8.3
68.99802	0.2
71.01392	0.7
73.02937	0.2
75.00870	0.2
79.01886	0.2
81.03483	0.3
83.01388	5.6
85.02964	0.3
88.98809	0.4
91.01919	0.3
93.03465	5.6
94.03799	0.2
95.01397	0.2
95.05002	0.2
97.02956	0.3
101.02454	0.4
101.34370	0.1
103.01926	0.2
107.01399	14.6
108.01657	0.3
108.02273	0.2
109.02949	0.7
113.02457	0.2
116.92864	0.4
117.03491	0.9
119.05038	31.6
120.05376	1.5
121.02975	0.9
123.00900	0.2
123.04513	0.3
125.02461	3.1
125.32570	0.1
131.01430	0.7
133.02945	0.5
135.00865	0.2
135.04504	0.2
136.01675	0.2
137.02444	1.2
139.04063	0.2
143.05067	0.7
145.02959	3.3
146.03322	0.2
147.00934	0.1
149.02432	1.6
151.00385	51.1
152.00726	2.0
156.05821	0.2
157.06551	0.2
161.02441	0.4
161.06061	0.9
163.04033	0.4
164.01129	0.5
164.04794	1.1
165.01944	2.7
167.49049	0.1
169.01459	1.7
175.00378	4.8
176.00980	0.6
177.01944	5.4
178.02328	0.2
179.03546	0.3
179.07150	0.2
181.05173	0.3
184.04874	0.1
185.06114	1.5
187.04007	1.7
189.01964	0.4
189.05435	0.2
190.02727	3.3
191.03514	0.8
191.05302	0.2
193.01384	1.3
196.00117	0.2
198.06880	0.2
203.07132	0.3
205.01460	0.2
205.05057	4.1
206.05763	0.5
207.03018	0.2
208.03795	0.2
209.04500	0.2
209.11772	0.3
217.01367	0.2
219.02989	0.2
221.08177	0.5
223.06093	1.0
227.07158	2.0
229.05034	0.5
250.04846	0.2
265.07010	0.7
269.04456	0.4
271.06088	100.0
272.06421	8.8
285.07718	0.9
287.05429	0.2
295.06100	3.6
296.06421	0.3
313.07181	2.0
314.07413	0.2
325.09290	1.6
326.09497	0.2
353.08652	0.6
367.10333	12.8
368.10620	1.3
383.57889	0.2
477.19043	0.9
519.11389	0.8
575.60980	0.2
639.17133	4.6
639.26605	0.3
639.33881	0.3
640.17627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87000	0.7
57.03435	2.1
58.00563	0.8
59.01103	0.9
59.01376	12.3
59.56779	0.6
61.98821	1.4
64.53570	0.6
67.01888	1.0
67.04263	0.5
68.99822	1.2
69.03452	1.5
69.50601	1.3
69.51017	3.4
71.01380	19.0
72.99307	6.3
73.02937	4.7
75.00468	1.0
75.00871	14.5
81.03493	0.6
83.01385	1.2
85.02954	17.8
87.00881	6.6
87.04514	1.4
89.02441	5.8
89.73157	0.5
89.89165	0.8
91.04019	0.7
93.03469	1.1
95.01390	3.8
97.02930	0.7
98.20684	1.1
99.00879	10.0
101.02460	4.2
103.00355	1.6
107.01357	0.7
108.02119	0.6
109.02991	1.0
111.04466	0.6
113.02461	19.2
114.02783	0.7
115.00343	2.0
116.92673	0.6
117.01956	1.8
117.46307	0.6
129.01964	1.8
131.03484	0.7
135.11821	4.9
145.02954	1.0
151.00368	1.6
152.35040	0.6
155.10782	0.7
157.01425	0.8
159.08220	3.4
160.77139	0.6
161.09731	10.2
162.09924	0.7
163.06143	0.7
174.36847	0.6
175.02425	2.0
175.03824	0.7
176.62938	0.7
178.99857	0.9
179.10779	30.7
180.11070	2.1
181.07196	6.9
181.12268	1.9
195.05107	1.8
205.07138	1.9
223.09772	0.6
226.02643	0.8
227.03473	0.8
231.05109	1.6
243.02913	3.3
249.06140	11.1
255.02963	9.7
256.03229	1.3
267.07278	5.3
269.04492	0.7
271.02451	19.8
272.02802	1.8
278.11319	0.6
289.07068	0.6
300.02740	37.4
301.03174	5.2
342.42661	0.7
359.22128	0.8
411.16641	3.7
429.17578	1.9
429.40271	0.7
455.15524	4.4
456.15787	0.7
457.17084	1.3
471.25946	0.6
473.16714	7.4
474.17181	1.0
475.18222	4.9
476.17847	0.8
555.20258	1.9
555.70618	1.4
565.11676	1.2
637.14038	16.1
637.23499	100.0
637.73755	5.9
638.14331	4.1
638.23810	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	637.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
57.03443	2.2
58.57222	0.3
59.01379	13.4
61.98830	2.9
67.01884	0.8
68.02493	0.3
68.99835	0.7
69.03455	1.1
71.00990	0.8
71.01383	16.0
71.10212	0.9
72.99301	4.8
73.02934	3.1
75.00875	12.4
81.03474	0.5
82.79847	0.4
83.01392	1.3
85.02956	14.1
87.00879	4.8
89.02442	5.4
91.03999	0.7
93.03454	0.6
95.01396	3.3
97.02978	0.7
98.19911	0.4
99.00890	8.0
100.01234	0.5
101.02449	4.2
103.00381	1.4
109.02991	0.6
111.00912	0.9
111.04514	0.6
113.02461	15.3
115.00385	0.9
115.03979	0.5
117.01929	1.5
119.03606	0.4
120.05833	0.5
129.01956	1.4
131.03439	0.5
133.10190	0.7
135.03012	0.5
135.11815	6.9
136.12164	0.4
143.08630	0.6
157.01442	0.8
159.08067	0.4
161.09735	8.1
162.10065	0.6
175.02457	1.7
175.03825	0.4
177.03969	0.4
179.10789	22.1
180.11098	1.4
181.07208	5.8
187.07701	0.5
189.04034	0.6
196.65425	0.4
205.07097	1.3
205.08859	0.6
208.66029	0.3
223.09717	1.5
231.05069	1.5
243.02879	0.5
249.06137	12.2
250.06436	0.9
255.03027	0.7
267.07181	5.3
271.02420	1.0
283.02408	0.5
285.04001	1.4
297.13547	0.4
300.02692	1.5
367.17395	0.4
411.16669	1.2
429.17682	1.2
431.09845	0.5
443.81705	0.5
455.15704	2.9
456.15906	0.5
467.20743	0.4
473.16681	3.3
474.16559	0.7
475.17456	1.2
555.70355	0.6
565.12036	1.5
566.12531	0.6
577.28375	0.4
619.22205	0.8
637.23553	100.0
638.23944	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	637.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03437	2.4
59.01377	13.6
61.98528	0.7
61.98831	12.3
67.01888	0.5
67.18280	0.4
68.99802	1.2
69.03461	1.3
69.40478	3.7
71.01386	15.4
71.27166	0.3
72.01740	0.5
72.99308	4.8
73.02946	3.6
75.00877	12.9
81.03447	0.6
83.01405	1.1
85.02956	14.7
87.00892	4.9
88.98814	0.7
89.02448	5.4
91.04001	0.7
93.03462	1.9
95.01392	3.2
96.04464	0.4
97.02950	0.6
98.19940	0.8
99.00883	9.4
99.04549	0.8
101.02438	3.1
103.00391	1.4
109.02982	0.5
111.00861	1.4
111.04503	0.6
113.02465	13.8
114.02784	0.8
115.00392	1.2
117.01936	1.7
118.51068	0.4
119.03531	0.7
125.02429	0.8
129.01942	1.2
130.99908	0.5
131.03487	0.6
133.10222	0.7
135.04555	0.4
135.11801	6.1
137.02437	1.0
140.09991	0.4
143.08684	0.4
145.02986	0.8
151.00366	0.7
157.01418	1.3
159.08176	1.0
160.01686	0.7
161.02512	0.7
161.09723	6.0
162.10056	0.7
175.02460	1.6
175.04013	1.2
179.05540	0.5
179.10785	20.6
180.11134	2.2
181.07198	4.7
189.04018	0.7
205.05103	0.4
205.07092	0.6
223.09766	1.7
227.03464	0.4
231.05074	1.6
243.03044	0.7
249.06131	9.5
250.06479	1.3
255.03085	2.5
256.03363	1.4
257.03693	0.7
267.07193	4.4
270.41635	0.4
271.02441	3.6
278.16248	0.4
283.02496	2.5
284.02982	2.4
284.05585	0.5
285.04001	4.4
286.04373	2.3
287.04541	3.0
294.89627	0.5
297.13455	1.8
299.01956	2.7
300.02679	3.9
301.03485	2.8
411.16733	1.5
412.16702	0.4
429.17630	1.2
431.09628	2.2
432.10220	2.5
433.10397	4.1
449.08704	0.5
455.15533	2.7
456.15833	0.8
457.16281	1.1
462.07816	1.1
463.08841	0.9
473.16611	11.2
474.17032	3.0
475.17337	5.6
476.17697	0.6
555.19879	1.5
555.70441	1.4
565.14362	3.7
566.12598	0.8
575.12036	1.4
619.22504	1.1
637.15295	3.6
637.23566	100.0
637.73376	2.5
638.23883	19.1
643.83630	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98829	100.0
62.98535	0.2
78.95907	1.6
105.41171	0.2
109.27309	0.2
109.85469	0.2
152.99631	1.2
201.11447	0.3
208.52968	0.2
209.11856	0.3
255.23309	1.4
256.23749	0.2
299.69745	0.2
315.74228	0.2
381.13080	0.2
455.35458	0.7
456.35770	0.3
619.36584	0.7
636.27521	0.4
636.36426	0.3
637.27203	0.4
637.36700	1.3
650.40320	0.2
654.27612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65329	0.3
57.03445	1.0
58.00601	0.3
59.01378	5.0
61.98827	2.4
67.01883	0.3
69.03456	0.4
71.01385	20.7
72.99295	1.5
73.02943	1.6
75.00868	4.2
77.03999	0.3
79.91327	0.3
82.72640	0.3
83.01393	0.6
85.02959	6.2
87.00881	1.9
88.98803	0.5
89.02444	2.3
91.04025	0.4
93.03467	1.0
95.01401	1.0
96.96011	0.5
96.96998	0.3
97.02933	0.4
98.20657	0.6
99.00879	2.6
101.02470	2.3
103.00406	0.3
109.02962	0.3
111.00910	0.3
113.02461	5.8
114.02795	0.4
114.92499	0.3
114.99582	0.5
115.00388	9.4
116.92878	0.3
117.01957	0.4
119.03523	0.6
119.05035	0.7
121.02970	100.0
122.03297	4.1
125.02452	0.6
129.01952	0.8
133.02992	0.5
135.04544	0.3
135.11797	1.2
137.02477	0.8
145.02940	0.6
151.04057	0.3
153.09322	0.2
155.10744	0.4
159.08144	0.5
161.02483	1.4
161.04555	0.3
161.09756	1.6
163.04041	0.3
165.04068	0.3
165.05539	0.5
175.02475	0.6
175.03954	0.5
177.04118	0.6
179.03479	0.4
179.10793	5.0
180.11119	0.5
181.07181	2.3
191.01994	0.5
191.05650	0.9
195.05032	0.4
205.07092	0.4
237.04033	16.7
238.04504	1.2
249.06172	3.0
267.07227	2.0
297.13858	0.3
319.06412	0.3
399.12897	0.8
411.16837	0.6
429.17789	0.4
455.15543	1.0
473.16730	2.4
520.75116	0.3
546.20233	0.3
546.57611	0.3
555.20587	0.7
555.70337	0.8
556.20477	0.6
637.23602	26.0
637.73340	1.8
638.14404	0.2
638.23853	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	635.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56553	0.7
61.98553	1.0
61.98830	9.3
78.95907	19.1
90.93767	0.7
96.96954	1.9
104.16277	0.7
124.86781	0.7
125.87353	0.9
127.87042	1.3
136.09579	0.7
143.86519	1.8
152.99606	12.9
159.86064	1.8
161.87556	1.1
171.10292	7.6
192.38354	0.8
207.10306	0.8
225.11374	1.6
229.33990	0.8
255.23294	14.9
256.23688	1.5
361.10721	1.3
379.11581	1.2
391.22446	4.5
394.54355	0.8
399.09653	0.8
399.14313	4.2
405.46497	0.7
409.23517	2.6
419.19034	1.1
429.17386	1.5
431.19537	4.0
432.19586	1.3
433.20328	1.3
445.16672	2.1
448.58722	0.8
458.17487	3.8
459.13773	1.0
459.18634	0.9
471.34909	6.3
472.35284	1.6
473.15552	2.0
473.21051	1.2
474.16577	6.4
475.17715	3.8
488.18445	6.5
489.19040	5.1
490.20193	6.8
491.20178	2.1
501.19162	2.2
504.21616	1.4
505.22324	4.0
516.17944	2.1
517.18463	0.9
549.21161	1.9
559.23059	0.9
560.20929	1.6
561.21161	0.9
575.23065	14.2
576.23596	8.5
577.24072	1.9
597.21802	1.1
598.20801	1.5
599.21466	3.1
600.20929	1.6
603.22479	3.0
611.11560	0.8
617.34979	2.8
635.25275	100.0
635.35565	9.9
636.25568	25.8
636.35199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03441	2.7
58.00605	0.7
59.01375	18.4
61.98829	16.7
64.04021	0.9
67.01885	1.1
68.99803	2.4
69.03458	1.9
69.82552	1.8
69.82961	2.7
71.01388	24.8
72.99315	7.3
73.02947	4.6
75.00877	24.8
77.35538	0.7
78.63881	0.6
81.03446	1.4
83.01397	2.5
85.02959	22.2
85.23266	0.6
87.00902	6.2
89.02448	6.0
91.04030	1.1
91.76669	0.7
93.03490	2.1
94.45200	0.7
95.01407	5.7
97.02934	1.3
99.00891	26.2
99.04563	1.0
101.02456	2.7
103.00382	2.3
109.02963	1.2
111.00903	3.3
111.04498	0.7
113.01701	1.4
113.02460	19.8
114.02801	1.1
114.77798	0.6
115.00401	2.8
116.92846	1.6
117.01974	3.0
117.03482	1.9
119.05039	5.9
125.02482	1.4
126.46848	0.6
129.02008	3.4
131.03462	1.3
131.74583	0.8
135.11830	5.6
139.00346	1.3
141.01945	1.1
145.02965	7.5
146.03316	1.0
150.38281	0.7
153.01939	1.9
157.01443	4.8
159.08185	1.9
161.04655	0.9
161.09727	5.6
163.04018	5.4
164.04332	0.8
175.02498	1.9
179.10783	39.1
180.11128	1.7
183.04491	1.1
189.04008	1.1
195.05074	3.2
205.07135	0.8
211.04063	0.9
227.03455	1.1
231.05089	2.6
249.06137	19.0
255.02956	12.3
256.03412	1.3
267.07242	5.5
283.02472	23.9
284.03024	2.9
285.04050	37.1
286.04468	3.7
297.13431	3.2
307.08179	1.0
411.16516	4.7
412.17047	1.1
429.17609	8.5
430.17859	0.9
446.08533	4.2
447.09293	6.1
455.15555	29.1
456.15930	4.3
464.16391	0.8
471.12845	3.9
473.16656	100.0
474.16974	18.1
515.17688	6.5
546.18933	1.0
555.20117	2.5
562.19781	0.8
572.16687	0.8
575.19849	2.2
576.20032	1.1
635.23096	30.8
636.23456	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	635.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06083	0.5
57.03349	1.7
59.01267	11.2
59.01606	2.9
61.98720	47.2
61.99078	11.1
63.99179	0.9
67.01798	1.3
68.99725	1.5
69.03368	1.0
69.36052	6.2
71.01266	16.2
71.01698	2.7
72.99192	3.8
73.02827	2.4
75.00756	13.0
75.01225	1.9
76.15787	0.6
81.03363	0.9
83.01271	1.7
83.04893	0.7
85.02831	14.4
85.03382	1.7
86.03150	0.8
87.00751	4.2
89.02319	4.6
90.67670	0.7
91.03901	0.9
92.32603	0.6
93.03385	1.4
95.01260	3.7
97.02864	0.6
98.20633	1.5
99.00751	19.9
99.01435	1.6
100.49968	0.6
101.02312	1.9
101.02918	0.8
103.00249	0.8
109.02821	2.0
111.00745	2.0
111.04398	1.1
113.02308	16.9
113.03145	1.3
114.02689	0.9
115.00253	1.7
117.01803	2.2
117.03384	0.9
119.04876	2.1
125.02364	1.3
129.01797	1.8
131.03371	1.2
131.04277	0.8
131.61589	0.6
135.04391	0.7
135.11809	6.6
145.02954	6.3
146.03125	2.4
151.00327	0.7
157.01270	2.5
161.02338	1.0
161.09747	4.5
163.03830	2.0
169.06494	1.4
174.51344	0.7
175.02336	1.8
179.10780	24.2
180.10997	1.4
183.04453	1.1
187.03792	0.9
189.05496	0.8
211.04033	0.8
213.05298	1.8
215.03331	0.7
223.09624	2.7
227.03325	2.6
228.03819	0.7
229.04961	1.1
231.05046	4.4
249.06128	18.6
250.06352	1.1
255.00488	0.9
255.02933	13.0
256.03381	1.5
257.04184	1.0
267.07114	4.7
282.99423	1.5
283.02466	28.7
284.03052	5.7
285.04010	36.2
286.04242	3.4
297.13235	2.8
411.16675	3.9
412.16681	0.7
417.08386	3.5
429.17630	8.2
430.08920	4.2
430.17896	0.9
431.09766	26.0
432.09894	3.8
446.08456	1.4
455.15543	24.0
456.16238	3.9
464.16296	0.8
473.16638	100.0
474.17007	14.1
515.17804	6.4
516.18439	1.3
554.18793	0.8
555.20313	1.0
563.14020	13.3
564.14087	3.1
572.17230	3.2
575.19958	1.5
591.13275	1.4
635.22260	34.5
636.22614	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	635.1604
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
57.03456	0.9
59.01380	2.5
61.98848	1.1
63.02423	0.6
65.00337	0.5
68.17063	0.4
68.99815	0.6
69.03480	0.5
69.57700	1.6
69.58119	1.3
71.01378	3.7
72.99320	0.9
73.02973	0.6
75.00900	1.5
83.01427	1.0
85.02960	2.1
87.00903	0.6
89.02485	1.1
93.03449	1.8
95.01396	0.6
96.96049	0.5
99.00918	1.3
101.02472	0.9
107.01360	1.7
108.02225	0.5
109.02956	1.9
111.00910	0.4
113.02468	1.8
115.00404	1.1
116.92909	0.4
117.03476	6.6
118.03905	0.5
119.05017	4.3
121.02987	1.0
125.02480	0.6
129.01898	0.8
133.02971	0.5
137.02487	1.1
145.02965	19.4
145.06639	1.2
146.03372	1.4
147.00883	0.6
151.00385	4.3
152.18927	0.4
159.03178	0.5
159.04520	1.3
161.02397	0.4
163.00424	1.6
163.04022	3.1
165.01958	1.4
169.01416	0.5
171.04573	0.7
173.06027	0.6
175.00433	0.4
175.03979	0.8
177.04143	0.6
178.99889	0.8
179.10805	0.9
180.11041	0.4
181.12338	0.7
183.04504	0.7
185.02499	0.5
185.06073	0.8
187.04070	1.5
187.30312	0.4
189.02040	0.4
199.03964	3.4
201.01924	0.7
201.05592	1.7
203.03529	0.9
207.96185	0.4
211.03978	2.1
211.07639	1.7
213.02003	0.7
215.03487	1.9
216.04085	0.4
223.07648	0.5
226.02699	1.1
227.03497	3.4
228.04002	0.7
229.05029	2.1
231.03156	0.4
237.09198	1.5
239.10692	2.2
242.02248	0.6
243.02957	5.3
244.03479	0.4
245.04562	0.7
249.06071	0.6
254.02260	0.7
255.02957	7.3
256.03476	0.7
257.04486	1.1
271.02444	59.2
272.02783	4.9
273.03955	0.7
283.02469	2.9
284.03186	0.8
285.04044	1.2
299.01956	100.0
300.02466	17.6
301.03519	51.8
301.60452	0.4
302.03867	5.6
307.08139	4.3
308.08481	0.4
429.17490	0.5
446.08521	29.7
447.09195	20.0
448.09552	2.5
473.16391	1.3
475.18015	0.6
489.10321	8.9
490.10477	1.3
519.16473	1.1
564.60327	0.4
575.26166	0.5
593.14886	1.0
635.16217	97.8
636.16522	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	635.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78385	0.4
57.03448	0.9
59.01381	7.5
61.98830	33.3
63.99240	0.5
67.01896	0.8
68.99808	0.8
69.03461	0.6
69.54380	1.8
69.54817	1.7
71.01385	7.6
72.99323	2.4
73.02950	1.3
75.00875	6.4
81.03482	0.4
83.01395	1.4
83.05001	0.4
85.02959	7.3
87.00890	1.9
89.02451	2.6
91.04047	0.5
93.03477	1.5
95.01386	1.9
96.95992	0.4
97.02986	0.5
97.25282	0.4
99.00893	7.4
101.02442	1.4
103.00365	0.5
107.01401	0.6
107.26967	0.4
109.02950	0.8
111.00888	0.6
112.92544	0.4
113.02460	7.8
115.00404	0.7
116.40383	0.4
117.01968	0.6
117.03484	1.4
118.03801	0.5
119.03590	0.5
119.05064	1.9
125.02438	1.0
129.01949	1.1
131.03484	0.7
135.04494	0.8
135.11813	2.8
137.02499	0.8
139.00368	0.5
145.02979	3.3
146.03311	1.5
151.00401	1.4
151.04019	0.5
153.01920	0.7
154.04272	1.0
155.05005	0.5
157.01411	1.1
157.06709	0.5
159.04555	0.9
159.08177	0.6
161.02426	1.5
161.09712	2.1
163.00450	1.0
163.04030	1.4
165.01945	1.1
169.06590	3.7
171.04527	0.9
173.02423	0.8
175.02492	0.7
177.04085	0.7
179.03647	0.4
179.10799	10.4
180.11241	0.5
183.04486	2.1
185.06073	2.1
187.04031	1.8
189.05582	2.6
198.03287	0.6
199.04010	0.6
203.01752	0.4
211.03995	2.2
213.05600	3.7
214.02757	1.9
215.03442	1.2
217.05019	0.5
223.09790	1.0
227.03490	7.4
228.04013	0.5
229.05023	2.3
231.05064	0.8
239.03487	1.0
241.05040	0.9
243.03001	1.6
249.06157	6.6
250.06563	0.4
255.02972	34.4
256.03473	3.4
257.04611	3.9
267.02881	0.5
267.07214	1.3
283.02469	75.0
284.02991	10.2
285.04041	100.0
286.01102	0.5
286.04385	10.0
289.07272	0.6
297.13382	1.4
411.16711	0.8
417.08276	4.2
418.08890	0.6
429.17715	2.1
430.09039	15.8
431.09808	80.3
432.10129	10.0
445.07672	0.9
446.08170	0.6
455.09683	0.8
455.15628	9.1
456.15915	1.2
473.16647	39.2
474.16977	4.9
487.12610	0.6
515.17725	2.1
516.18744	0.5
525.71851	0.4
551.56732	0.4
555.19586	0.8
563.14081	33.8
564.14435	7.2
572.17175	1.7
575.11584	0.7
575.20117	0.9
591.13324	4.2
592.14246	0.8
635.22382	10.6
636.22736	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	634.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98829	100.0
62.98534	0.3
70.72187	0.2
71.01057	0.1
71.01389	0.6
72.99308	0.1
73.02960	0.2
75.00878	0.2
85.02977	0.5
87.00884	0.3
88.98843	0.1
89.02450	0.3
93.03463	0.2
96.96024	0.4
97.02968	0.1
99.00904	0.2
101.02460	0.5
109.02964	0.2
113.02459	0.4
115.00385	0.1
116.92847	0.1
117.03473	2.5
118.03795	0.2
119.05030	1.0
121.02976	0.2
123.04555	0.1
125.02427	0.2
137.02460	0.1
145.02968	15.3
146.03311	0.9
161.02481	0.2
161.04558	0.1
163.04005	1.3
173.04526	0.1
177.04114	0.1
179.03477	0.1
179.10779	0.3
191.05675	0.3
205.05151	0.1
211.07610	0.3
221.75998	0.1
231.06606	1.3
249.06166	0.2
255.03119	0.2
273.07574	0.2
285.04083	0.2
300.02756	0.1
301.03119	0.2
307.08148	0.5
318.93277	0.1
327.08698	0.2
343.57059	0.1
393.11865	0.3
472.13364	0.2
473.16592	0.6
487.12463	0.1
511.14569	0.4
529.15533	0.8
563.14587	0.2
571.16693	8.2
572.17017	1.5
596.13434	0.1
634.21820	0.1
635.23346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01374	1.8
61.98830	5.9
63.02388	1.4
64.99990	0.5
65.00319	5.0
66.00660	0.2
67.21986	0.2
69.03433	0.2
69.49331	1.6
69.49729	0.4
71.01388	2.6
71.05016	0.8
72.01695	0.2
73.02942	0.5
73.28342	0.2
75.00867	0.4
75.27319	0.2
75.32946	0.2
78.95934	0.2
81.03468	0.3
83.01385	4.4
85.02964	1.3
85.97124	0.2
87.00885	0.3
88.04044	1.4
88.98827	0.6
89.02469	0.6
93.03466	4.9
94.03805	0.4
96.96011	0.7
96.96993	0.2
97.02927	0.5
97.06633	0.2
98.20654	0.4
99.00881	0.3
99.04522	0.4
101.02449	1.2
101.06073	0.3
107.01401	9.6
108.01701	0.4
109.02976	1.2
113.02473	1.0
115.00310	0.2
116.92868	1.1
117.03494	0.6
119.05036	22.1
120.05402	1.3
121.02970	0.9
122.21713	0.2
123.04542	0.7
124.01649	0.3
125.02464	2.8
125.09798	0.2
126.02758	0.3
131.01424	0.4
133.03018	0.5
135.04520	0.6
137.02480	1.4
138.02721	0.2
139.04082	0.4
143.05060	0.7
145.02948	2.9
146.08246	3.3
149.02434	0.6
151.00386	33.9
151.04013	0.9
152.00720	1.5
153.01981	0.3
155.10797	0.7
156.11137	0.3
161.02440	0.5
161.04575	1.3
161.06102	1.2
163.04022	0.6
164.01137	0.4
164.04770	0.3
165.01945	2.4
169.01462	1.9
174.67200	0.2
175.00415	1.6
175.03966	0.3
177.01944	3.6
177.03682	0.3
177.04054	0.3
178.99858	0.3
179.03490	0.6
179.05600	0.2
180.03954	0.3
183.10237	0.2
185.06076	1.0
187.04033	1.2
189.01921	0.4
191.05579	0.3
193.01372	0.5
199.09807	0.4
201.11307	1.6
203.07137	0.7
205.05032	0.4
211.07562	0.3
215.12675	0.2
218.10364	2.7
227.07210	1.5
228.07645	0.2
229.05086	0.4
245.08212	0.4
246.08437	0.3
253.04837	0.3
259.06030	0.3
260.06223	0.3
260.11462	0.3
263.11331	1.6
271.06091	100.0
272.06424	9.2
283.02429	0.4
284.02954	0.4
285.03940	0.5
287.05551	0.7
288.05801	0.2
289.07126	1.2
290.07510	0.7
295.06198	1.1
307.08191	0.3
318.13391	0.4
362.14651	1.2
362.18787	0.2
363.15060	0.4
371.24066	0.5
389.25339	0.7
434.11664	0.2
634.21893	7.8
634.31409	0.5
635.20715	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
58.00604	0.2
59.01377	3.0
60.94954	0.1
61.98827	100.0
62.98534	0.3
67.01879	0.2
68.99819	0.3
69.03449	0.4
69.48173	1.3
69.84450	0.1
71.01385	3.1
71.01765	0.2
72.99323	0.8
72.99696	0.1
73.02956	0.5
75.00881	2.9
81.03471	0.2
83.01398	0.3
85.02958	3.1
85.45424	0.1
87.00883	0.9
89.02445	0.9
93.03488	0.2
94.43707	0.2
95.01389	0.8
99.00889	3.5
101.02467	0.5
103.00385	0.1
109.03012	0.3
111.00913	0.3
113.02453	3.6
115.00379	0.4
117.01979	0.4
117.03477	2.3
119.03572	0.1
119.05042	0.9
125.02484	0.3
129.01990	0.4
133.10234	0.2
135.11813	1.6
137.02487	0.3
141.01973	0.2
145.02965	11.3
146.03291	0.8
153.01955	0.2
157.01479	0.4
161.02455	0.3
161.09727	0.8
163.04005	1.4
175.02515	0.4
179.03430	0.1
179.10793	4.9
179.12384	0.2
187.12843	0.1
196.35573	0.1
205.07162	0.2
223.09792	0.2
227.03609	0.2
231.05185	0.6
249.06148	3.2
255.02989	0.7
267.07181	1.1
283.02493	1.0
284.03329	0.6
285.03922	0.8
310.31137	0.2
310.35172	0.2
341.10880	0.3
411.16342	1.3
417.08038	0.8
429.17648	2.6
429.22949	0.2
431.09918	0.3
455.15582	3.5
473.16620	14.4
497.17035	0.2
511.14514	0.4
515.17871	0.5
529.15906	0.2
571.16656	6.6
572.16956	1.6
575.20154	0.5
635.22217	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	634.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00838	0.1
55.01892	0.1
57.03458	0.1
59.01370	1.3
61.98828	100.0
62.98525	0.1
69.03455	0.1
71.01380	1.1
72.99329	0.4
73.02956	0.3
74.21260	0.1
75.00871	0.7
83.01407	0.1
85.02956	1.0
87.00902	0.5
89.02460	0.4
91.58681	0.1
93.03432	0.1
95.01408	0.3
96.75361	0.1
98.20640	0.3
99.00870	0.6
101.02457	0.3
103.00413	0.1
109.02968	0.2
111.00878	0.1
113.02448	1.1
115.00436	0.2
116.92921	0.2
117.03474	1.7
118.03815	0.1
119.03599	0.1
119.05038	1.2
120.05347	0.1
125.02460	0.3
135.04581	0.2
135.11833	0.3
135.62875	0.1
137.02472	0.2
145.02966	7.0
146.03284	0.8
157.01459	0.1
161.02496	0.1
161.09732	0.2
163.04010	1.5
164.04443	0.2
175.03990	0.1
177.04108	0.1
179.03632	0.1
179.05490	0.1
179.10808	1.0
187.07706	0.4
195.05122	0.2
197.87555	0.1
231.06868	0.3
238.61594	0.1
249.06137	0.6
255.03040	0.4
267.07196	0.2
283.02460	0.9
285.04065	0.4
289.07428	0.1
307.08331	0.2
341.10706	0.1
344.48886	0.1
429.17822	0.3
430.09299	0.1
455.15616	0.8
471.13300	0.4
472.12915	0.5
473.16656	2.9
515.17456	0.2
527.17871	0.6
529.15961	0.2
571.16553	3.0
572.16748	0.5
575.20044	0.3
622.38300	0.1
634.20917	0.2
634.34412	0.2
635.22473	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	634.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00838	0.1
55.01892	0.1
57.03458	0.1
59.01370	1.3
61.98828	100.0
62.98525	0.1
69.03455	0.1
71.01380	1.1
72.99329	0.4
73.02956	0.3
74.21260	0.1
75.00871	0.7
83.01407	0.1
85.02956	1.0
87.00902	0.5
89.02460	0.4
91.58681	0.1
93.03432	0.1
95.01408	0.3
96.75361	0.1
98.20640	0.3
99.00870	0.6
101.02457	0.3
103.00413	0.1
109.02968	0.2
111.00878	0.1
113.02448	1.1
115.00436	0.2
116.92921	0.2
117.03474	1.7
118.03815	0.1
119.03599	0.1
119.05038	1.2
120.05347	0.1
125.02460	0.3
135.04581	0.2
135.11833	0.3
135.62875	0.1
137.02472	0.2
145.02966	7.0
146.03284	0.8
157.01459	0.1
161.02496	0.1
161.09732	0.2
163.04010	1.5
164.04443	0.2
175.03990	0.1
177.04108	0.1
179.03632	0.1
179.05490	0.1
179.10808	1.0
187.07706	0.4
195.05122	0.2
197.87555	0.1
231.06868	0.3
238.61594	0.1
249.06137	0.6
255.03040	0.4
267.07196	0.2
283.02460	0.9
285.04065	0.4
289.07428	0.1
307.08331	0.2
341.10706	0.1
344.48886	0.1
429.17822	0.3
430.09299	0.1
455.15616	0.8
471.13300	0.4
472.12915	0.5
473.16656	2.9
515.17456	0.2
527.17871	0.6
529.15961	0.2
571.16553	3.0
572.16748	0.5
575.20044	0.3
622.38300	0.1
634.20917	0.2
634.34412	0.2
635.22473	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	633.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
60.21252	0.1
61.98825	1.1
71.01398	0.2
71.27135	0.3
73.02940	0.3
78.95898	0.3
94.43690	0.2
99.92613	0.7
116.91982	0.2
116.92872	9.7
117.02039	0.6
117.03474	23.6
118.03808	0.9
119.04178	0.2
119.05039	3.9
120.05384	0.2
121.02975	0.6
125.09734	0.2
125.80358	0.1
145.02966	100.0
146.03308	5.8
147.03481	0.3
147.04558	0.2
152.99640	0.2
163.04048	0.9
171.10275	0.3
188.98085	0.1
217.71381	0.1
225.32030	0.1
276.30209	0.1
277.62262	0.2
324.18329	0.2
421.31198	1.1
422.31412	0.3
431.90137	0.2
439.32220	0.2
449.30557	0.2
455.31741	0.2
467.31644	0.6
469.33261	0.4
485.32852	0.8
487.34421	1.2
488.06842	0.2
513.32172	0.7
514.32703	0.2
578.08881	0.2
616.91388	0.2
633.37994	52.0
634.38385	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	633.3825
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.43010	0.4
59.01377	1.2
61.98820	5.8
71.59237	0.7
78.95907	2.0
117.03478	22.2
118.03802	1.8
119.05039	4.8
123.10178	0.5
145.02965	100.0
146.03307	5.0
147.03011	0.8
151.78221	0.5
152.99675	0.6
163.04016	2.9
195.52864	0.5
260.12177	0.5
279.13727	0.5
288.03976	0.6
296.45755	0.5
455.31857	2.0
456.31976	0.7
468.32141	0.5
469.32953	1.1
471.34940	0.6
485.32751	26.3
486.33102	5.4
563.67407	0.6
570.24707	0.5
573.01086	0.5
633.38055	84.8
634.29230	0.9
634.38373	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	633.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81819	0.2
62.22549	0.1
70.91207	0.2
70.91531	0.2
76.62589	0.2
78.14001	0.1
89.03985	0.1
95.27808	0.2
116.92896	0.1
117.03478	22.9
118.03793	0.9
119.05042	3.5
121.02989	0.5
145.02969	100.0
146.03313	4.9
147.04462	0.2
163.04018	2.8
425.30652	0.4
437.30658	0.2
439.32233	0.2
455.31726	0.7
467.31467	0.5
469.33167	0.8
513.32196	0.3
530.49640	0.2
633.38055	65.7
634.38416	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	633.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61411	0.2
61.98830	0.4
69.05595	0.2
70.60539	0.6
89.04003	0.2
94.14684	0.2
95.73388	0.1
117.03477	23.8
118.03806	1.0
119.05031	3.7
120.44772	0.2
121.03024	0.3
133.47816	0.2
145.02969	100.0
146.03305	5.0
163.04018	2.9
214.89967	0.2
322.12125	0.2
352.68417	0.2
409.27417	0.2
425.30713	0.3
437.30557	0.2
455.31586	0.7
467.31711	0.5
469.33304	0.6
494.39813	0.2
513.32184	0.4
633.38031	69.8
634.38397	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
58.38438	0.2
59.01378	2.8
60.11983	0.2
61.98824	12.1
63.02394	1.9
65.00315	5.0
65.62050	0.3
66.00688	0.2
69.03446	0.3
69.34296	2.8
71.01366	2.5
72.99288	0.4
73.02956	0.8
75.00879	0.6
78.95895	0.4
83.01387	3.8
83.05046	0.3
85.02944	0.7
87.00896	0.8
88.98804	0.9
89.02443	1.4
93.03461	5.5
95.01396	0.4
96.96006	0.5
97.02953	0.6
97.06561	0.3
97.66742	0.3
98.19798	0.5
99.00922	0.3
101.02467	1.4
107.01393	10.3
108.01646	0.5
109.02957	0.9
111.97565	0.3
113.02455	0.8
116.92875	2.2
117.03503	0.4
119.05030	24.5
120.05367	1.1
121.02970	0.9
123.04534	1.0
124.01665	0.4
125.02444	6.1
125.09732	0.4
126.02773	0.5
131.01399	0.4
133.02971	0.5
135.04541	1.0
135.08284	0.3
136.01695	0.3
137.02461	2.3
137.09746	0.4
138.02811	0.3
139.04034	0.5
141.01901	0.3
143.05090	0.5
145.02969	2.2
149.02396	0.7
151.00375	37.6
151.04007	1.1
152.00697	2.5
153.01912	0.6
155.10779	1.1
161.02470	0.8
161.04669	0.6
161.06087	1.0
163.04025	0.8
163.10034	0.3
163.11237	0.5
165.01938	2.6
165.04021	0.6
167.03508	0.6
169.01450	1.5
171.10237	1.3
175.00424	2.0
175.03992	1.0
177.01953	5.3
178.99805	0.6
179.03494	0.5
185.06070	0.7
187.04016	1.2
189.01990	0.4
193.01466	1.3
203.03638	0.3
205.05118	0.4
209.11818	2.3
217.10732	0.5
219.03011	0.3
222.03194	0.3
227.07092	1.1
227.12907	0.5
229.04913	0.3
233.00897	0.4
235.10684	0.3
253.09270	0.3
259.06152	0.4
269.04480	0.3
271.06073	100.0
272.06406	10.4
272.09372	0.5
283.13364	0.3
285.04050	1.2
287.05585	1.8
288.05887	0.6
289.06821	0.8
295.06100	2.0
296.06610	0.3
297.12033	0.3
303.05051	2.0
313.07248	1.6
335.22247	0.3
337.23972	0.3
353.23297	1.2
358.10007	0.3
371.24341	1.8
378.21979	0.3
427.10339	0.4
447.15714	0.5
633.17999	1.4
633.25562	2.6
633.35229	3.6
634.25568	0.9
634.34973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3805
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
51.54610	0.3
57.03430	0.3
59.01393	0.5
61.98829	4.8
71.59283	0.4
78.95914	2.3
80.12205	0.4
80.27704	0.3
87.00871	0.4
101.02443	0.5
109.02970	0.5
117.03481	24.1
118.03829	1.2
119.05035	5.1
121.02971	1.6
123.04511	0.6
125.02481	2.7
133.02882	0.4
137.02432	0.6
145.02969	100.0
146.03320	6.0
151.04021	0.6
152.99590	2.0
161.02451	0.9
161.06133	0.4
162.84016	0.5
163.04004	1.5
165.01958	0.3
196.53653	0.3
225.11383	0.4
245.08156	0.4
270.00571	0.3
270.43018	0.3
289.07196	2.8
290.07428	0.4
421.31134	0.9
430.11520	0.6
430.62054	0.3
439.32242	0.4
467.31918	0.8
469.33386	0.6
471.34839	6.1
472.35141	0.9
487.34369	0.7
504.07697	0.3
513.32166	0.8
515.14514	0.5
584.99054	0.4
615.36804	2.6
616.37543	0.5
633.38086	52.8
634.38397	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88818	0.6
51.91337	0.8
57.03443	8.4
59.01379	8.1
61.30997	0.8
61.98829	16.0
62.99235	0.7
63.02378	1.3
63.49830	0.8
65.00314	6.5
69.03448	1.8
70.22916	0.9
71.01376	6.1
71.57057	1.3
73.02943	3.0
75.00858	1.5
75.18327	1.0
78.95895	1.4
80.20541	0.9
81.03453	2.3
83.01392	10.6
83.05046	1.2
84.01704	0.9
85.02930	2.0
87.00891	1.4
87.04504	1.8
88.98807	0.8
89.02476	2.1
93.03464	8.4
95.01389	1.2
95.05012	5.1
96.96020	3.8
96.96969	1.5
97.02957	3.3
99.00894	1.4
99.04549	1.3
101.02460	2.7
107.01392	11.7
108.02222	1.3
109.02964	14.7
109.06598	1.4
111.00904	1.2
113.02443	2.3
116.92862	2.5
117.03484	2.0
117.24427	0.8
119.05042	18.7
120.05356	1.1
121.02974	7.5
122.03769	2.1
123.04539	8.6
124.01644	1.9
125.02460	68.6
126.02768	1.9
129.01955	1.0
130.20930	0.9
133.02983	1.5
135.04529	3.6
135.86122	0.7
137.02460	42.5
137.09729	4.1
138.02870	1.9
139.04053	9.5
145.02960	9.3
146.03668	1.7
147.04507	1.2
149.02461	18.6
150.03102	2.7
151.00389	43.4
151.04015	7.3
151.07651	1.3
152.01085	2.6
153.01968	11.4
155.10789	26.5
156.11206	1.2
158.87738	1.0
159.04494	3.6
160.05392	0.9
161.02515	4.4
161.06104	7.9
163.00441	1.1
163.04039	3.0
164.01114	2.7
165.01950	5.7
165.05580	1.0
167.03496	2.7
169.01418	2.7
172.05363	1.0
173.06067	1.8
174.03032	1.1
175.00363	3.0
175.03976	7.5
175.07648	1.1
176.01111	0.8
177.01968	9.0
178.99896	7.3
179.03519	3.8
179.10770	1.5
181.01425	2.0
181.05035	0.9
181.08649	0.9
183.04550	1.1
183.10223	1.2
185.06088	4.8
187.04057	4.5
188.04784	2.7
189.01982	1.1
189.05507	1.5
191.03519	1.2
191.14424	0.9
193.01488	1.7
195.04979	1.0
195.06645	1.7
199.03922	2.1
199.07828	1.3
199.09767	19.1
200.10101	1.7
201.01881	1.2
201.05652	2.7
201.67265	0.9
202.06219	1.3
203.03548	1.1
203.07152	10.5
205.05052	4.5
209.04510	4.1
211.03929	1.6
212.69099	0.8
215.07199	1.1
217.05017	3.3
227.03461	1.1
227.07086	5.1
229.05095	1.6
237.11342	1.0
241.05112	2.3
241.10774	1.9
243.06570	1.2
245.08220	8.4
249.69160	1.0
253.04958	2.3
255.02979	8.1
256.03452	1.5
259.06125	10.3
260.06497	1.4
271.06097	100.0
272.06442	7.9
275.05615	7.2
283.02518	16.8
283.11987	1.7
284.02911	2.2
285.04053	27.0
286.04254	1.5
287.05682	9.0
288.06134	1.9
289.07187	27.3
290.07501	3.1
295.06097	1.7
299.05582	2.6
303.05090	48.0
304.05325	4.5
311.07672	1.1
321.13437	24.3
322.13818	2.5
327.05060	1.6
333.13403	2.3
343.14478	1.6
416.07620	5.1
417.08228	2.7
427.17712	8.1
428.17972	1.0
433.11368	7.2
451.12448	3.6
471.16541	15.0
472.16843	1.7
483.18570	1.5
495.18787	8.8
496.19165	1.3
506.69400	1.0
509.16339	1.1
567.15186	2.6
595.14691	2.6
605.21710	1.5
615.20306	1.5
633.22101	52.5
634.22815	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	633.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29855	0.6
55.01891	0.6
57.03447	10.2
57.69252	0.6
59.01382	4.3
61.98830	10.2
63.02397	0.5
64.04335	0.5
65.00312	1.1
67.01900	0.7
69.03439	1.0
69.69333	4.5
71.01389	2.9
71.05026	0.9
73.02946	2.1
75.00885	1.3
81.03452	4.4
83.01395	10.0
83.05024	1.3
85.02956	1.9
87.00906	1.1
88.98815	1.9
89.02452	1.6
89.03905	0.8
93.03476	2.7
95.01380	1.4
95.05021	5.6
96.96031	2.8
97.02946	4.1
98.03737	0.9
99.00858	0.8
101.02454	2.1
107.01395	1.9
107.05117	0.7
108.02183	1.0
109.02966	12.2
109.06600	1.6
111.00895	1.1
111.04524	1.4
113.02469	1.9
115.00386	0.8
115.07622	0.6
116.92833	1.0
117.03457	2.8
119.05054	2.0
121.02980	4.1
122.03729	0.9
123.00861	0.6
123.04531	6.4
124.01683	1.6
125.02460	100.0
126.02808	3.5
127.07652	0.7
133.02997	1.6
133.06598	1.6
135.04517	2.1
137.02452	26.5
137.09746	4.3
139.04027	4.5
143.05048	0.6
145.02968	36.1
146.03703	3.4
149.02464	12.4
149.04492	0.5
149.09734	0.9
150.03217	1.7
151.00392	11.0
151.04028	5.8
151.07664	1.5
152.00896	0.6
153.01930	0.6
153.09207	0.6
155.10796	30.5
156.11160	1.8
157.06503	0.8
159.04507	6.5
160.01672	1.1
160.05275	0.8
161.02463	14.8
161.04607	1.2
161.06084	12.5
162.03076	1.6
162.06462	0.7
163.04048	2.6
164.01164	1.7
165.01923	5.4
165.05597	1.1
166.02582	0.8
167.03546	2.3
172.05365	1.0
173.06210	0.8
175.02563	1.3
175.04034	2.4
175.07549	1.5
175.11264	0.6
175.80411	0.6
177.02049	0.7
177.04082	0.7
177.05605	1.1
178.99829	0.7
179.03488	4.5
181.06464	1.0
183.04491	2.4
184.05273	1.3
185.06084	9.2
187.00348	1.1
187.04008	8.2
188.01135	1.0
188.04726	1.6
189.01918	6.7
190.02518	1.0
191.03525	0.7
191.14400	1.9
193.12415	1.9
195.04951	0.9
195.06595	1.3
199.09755	28.1
200.10101	1.6
201.05571	3.0
202.06342	1.2
203.03333	0.7
203.07156	11.1
204.07558	0.8
205.05069	4.7
209.06125	1.7
211.03922	0.9
214.99869	1.3
215.07246	1.0
221.08234	1.1
225.05576	2.3
226.06331	5.0
227.03557	1.5
227.07130	7.2
229.05031	1.7
230.02075	1.0
233.15453	2.3
234.15955	0.7
237.11218	1.7
241.04973	0.6
241.08693	1.9
243.02953	1.1
245.08192	12.8
246.08635	1.2
253.05075	4.3
255.02954	1.7
259.06085	0.8
267.03174	0.9
269.04550	1.8
270.05289	3.4
271.06091	92.8
272.06451	8.8
277.14487	1.6
285.04169	0.8
287.05472	1.2
287.08209	0.8
289.07175	54.8
290.07526	6.3
295.02530	1.6
295.06149	5.1
296.03305	1.4
299.07697	1.0
310.01184	1.1
311.01941	9.9
312.02582	1.2
313.03592	1.0
313.07068	1.2
321.13406	24.4
322.13831	3.5
322.44449	0.7
323.02234	0.6
333.13458	7.9
340.02362	4.3
341.02963	2.0
345.13474	1.8
361.15176	0.7
387.23572	0.7
425.15845	0.8
433.11401	53.2
434.11670	7.6
451.05988	0.5
451.12411	19.3
452.12769	2.5
471.16571	29.7
472.17050	5.2
483.18683	14.9
484.19220	2.8
487.08820	38.1
488.09125	4.2
615.19995	0.7
633.22272	33.0
634.14227	1.2
634.22717	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	633.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03450	4.2
58.00594	0.6
59.01379	13.3
61.98828	8.5
66.83102	0.3
67.01878	0.8
68.99811	1.7
69.03465	3.4
69.78888	2.6
71.01385	18.1
72.99313	5.2
73.02950	3.3
75.00874	16.6
79.05500	0.5
80.91668	2.0
81.03446	0.6
83.01377	2.5
83.05029	0.7
84.02150	0.5
85.02958	18.0
86.03316	0.4
87.00879	6.7
87.04500	1.1
88.98798	0.6
89.02458	4.9
91.04010	0.8
93.03470	1.5
95.01393	3.5
95.74911	0.4
96.96008	1.4
96.96989	0.6
97.02948	2.6
98.19927	0.5
99.00893	9.9
99.04534	0.5
101.02437	1.6
103.00385	1.5
109.02943	0.7
111.00892	3.0
112.01625	0.5
113.02457	18.3
113.03255	0.9
114.02809	0.6
115.00368	1.6
116.92834	0.6
117.01954	1.7
117.03445	0.6
118.93293	0.4
121.02953	0.4
123.04526	0.5
124.46619	0.4
125.02414	0.9
127.04026	0.7
129.01944	6.5
130.44130	0.4
131.03531	0.5
133.10188	0.5
135.03023	0.5
135.04503	0.6
135.11807	4.0
137.02437	0.7
139.00339	0.6
141.01965	1.9
143.08667	1.1
144.05830	0.7
145.02937	1.7
146.03410	0.4
146.07361	0.4
149.02446	0.4
157.01395	1.1
159.03033	2.3
159.08165	4.8
160.01718	0.4
160.08492	0.4
161.02475	0.6
161.09729	12.2
162.09962	0.7
163.03860	0.5
164.14209	0.4
165.01889	0.6
175.02487	1.8
175.03880	0.4
176.07468	0.4
177.04041	1.5
179.10785	35.3
180.11131	2.4
181.07213	0.6
189.04039	0.7
195.05099	3.5
203.10757	0.5
205.07133	2.7
205.08813	0.9
223.09865	0.7
231.05069	1.3
245.08000	0.7
249.06142	10.7
250.06503	0.7
263.03986	0.5
267.07178	4.9
283.02463	0.6
289.07126	1.2
293.05252	0.4
297.13306	1.1
383.13983	0.8
411.16220	4.2
411.21393	0.5
412.16922	0.7
429.17624	1.8
455.15530	8.1
456.15851	1.1
469.20944	0.5
473.16611	10.9
474.16925	1.3
571.19098	0.4
571.27753	0.6
589.21265	1.6
615.18884	1.9
633.20428	100.0
634.20813	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	632.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.32998	0.2
61.98820	1.1
71.01371	0.8
72.99267	0.3
81.06519	0.2
82.02557	0.3
85.02954	5.5
87.00864	1.0
93.03464	2.9
98.19884	0.7
98.61292	0.2
109.02956	0.4
111.04530	0.8
119.05048	1.0
121.02924	0.3
125.02494	0.3
127.04005	1.6
137.02422	0.5
145.02953	0.8
163.04037	1.4
165.06703	0.2
171.03062	0.4
173.04521	1.4
191.05614	100.0
192.05937	4.7
195.45421	0.2
206.41161	0.3
215.04276	0.2
229.22334	0.3
233.72903	0.2
337.09280	24.0
338.09634	3.1
387.77026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31093	0.4
55.01865	0.9
57.03450	3.0
58.00583	0.6
59.01102	0.7
59.01378	10.3
61.98831	1.3
62.61100	0.4
67.01868	1.2
68.99807	1.5
69.03464	2.3
69.47103	0.4
69.47678	2.6
69.48085	1.2
71.01383	15.1
72.99311	3.8
73.02950	2.3
74.95840	0.4
75.00467	0.9
75.00877	14.0
81.03423	0.6
81.07058	0.4
83.01391	1.7
83.05024	0.6
84.02171	0.5
85.02954	15.1
87.00883	5.7
89.02457	4.7
91.04050	0.6
93.03459	0.7
95.01390	3.6
97.02946	2.4
99.00889	8.4
101.02460	0.8
103.00382	1.5
105.07095	0.6
111.00900	2.5
113.02463	15.5
115.00379	1.0
117.01925	2.1
117.03493	0.5
119.05063	1.9
120.05762	0.5
129.01959	5.9
133.10312	0.5
135.11824	6.0
136.25073	0.4
141.01953	1.8
143.08646	0.9
145.02975	4.0
146.07437	0.5
155.10791	0.6
157.01349	1.0
159.03014	2.3
159.08188	1.1
161.09735	7.5
161.10956	0.7
162.10051	0.7
163.04007	1.9
170.15750	0.4
172.05305	0.4
175.02486	1.7
177.04008	1.1
179.10786	21.6
180.11110	1.6
189.03996	0.6
195.05089	1.6
203.10597	0.5
205.07187	1.4
205.08794	0.7
211.84064	0.4
223.09778	1.1
231.05063	1.3
249.06123	11.9
267.07172	6.5
268.07593	0.6
307.07928	1.0
386.64465	0.4
411.16464	1.5
429.17554	2.4
455.15457	4.3
471.13095	1.4
473.16595	6.8
474.16943	0.7
513.14154	0.5
589.21222	1.8
590.21655	0.5
615.19910	2.5
633.20459	100.0
634.20825	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03443	2.9
59.01092	0.8
59.01377	11.5
60.73185	0.5
61.98835	6.3
64.59128	0.5
67.01867	0.5
68.99816	1.5
69.03477	3.4
71.00996	0.8
71.01383	16.6
71.62112	1.1
72.28306	0.5
72.99310	5.1
73.02947	2.8
75.00880	13.6
76.02421	0.7
81.03444	0.7
82.46159	0.6
83.01377	2.3
83.05005	0.7
85.02960	17.1
87.00881	5.3
88.26640	0.4
88.46582	0.5
88.98782	0.7
89.02461	4.1
90.74004	0.5
93.03453	1.5
95.01415	2.9
96.95984	0.9
97.02941	2.5
99.00269	0.6
99.00893	9.1
99.04539	0.7
101.02439	1.7
103.00374	1.7
109.02943	1.4
111.00867	2.4
111.04591	0.5
113.02462	14.2
114.02744	0.6
115.00365	1.8
117.01926	1.9
117.03442	1.4
119.03545	0.7
119.05078	4.3
125.02431	2.3
129.01947	6.7
131.03491	0.6
135.04474	0.6
135.11777	4.2
137.02440	1.1
141.01961	1.5
143.08682	0.7
145.02954	6.9
150.03137	0.6
151.03993	0.9
157.01382	0.5
159.02974	2.1
159.08189	0.8
161.06030	0.9
161.09744	5.9
163.03987	4.1
175.02451	1.7
177.04050	2.3
178.38564	0.5
179.10777	20.2
180.11029	1.2
187.07671	1.4
191.05614	0.8
195.05048	2.0
195.06619	0.8
223.09644	0.9
231.04996	1.2
249.06129	10.2
250.06630	0.8
259.05978	0.6
267.07153	3.0
278.22015	0.7
289.07236	1.0
307.08246	1.5
312.19345	0.6
383.13400	0.9
411.16400	1.0
429.17657	1.8
435.10916	0.9
455.15475	2.8
471.13187	3.9
473.16541	9.5
474.16888	1.1
513.13867	0.7
579.72961	0.6
589.21033	1.6
615.19550	3.5
633.20410	100.0
634.20721	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	632.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10160	0.2
57.03443	1.5
59.01382	1.2
60.14849	0.3
61.98828	17.0
63.02397	1.0
63.99210	0.2
65.00325	10.7
68.99851	0.4
71.01364	1.3
71.33704	0.4
79.01909	0.3
81.03462	0.3
83.01385	5.0
85.02949	0.6
85.65917	0.2
87.00891	0.3
91.01914	0.3
93.03469	2.1
95.01398	0.5
96.96030	1.1
96.96981	0.3
97.02953	0.7
101.02464	0.8
103.01948	0.6
107.01402	19.3
107.05006	0.3
108.01678	0.4
108.99329	0.4
109.02976	3.8
111.00920	0.2
113.02469	0.6
115.42348	0.2
117.03469	0.3
119.05053	0.8
121.02961	1.1
123.00851	0.5
123.04533	0.9
124.01693	0.5
125.02460	23.8
126.02796	3.1
131.01398	1.4
133.02977	1.7
134.03751	0.9
135.04538	54.7
136.01675	0.6
136.04858	2.3
137.02460	5.3
139.04033	1.1
140.04475	0.3
143.00656	0.3
145.02946	0.8
149.02441	2.5
150.02876	0.6
151.00381	100.0
152.00696	4.3
153.01942	4.0
154.02353	1.3
159.04608	0.5
161.02452	7.7
161.06087	0.3
162.02806	0.4
163.03969	0.4
164.01128	0.2
165.01944	3.0
167.03558	0.5
167.64403	0.3
169.01447	1.7
175.00385	7.4
175.03970	1.5
175.05319	0.3
176.00803	0.4
176.04343	0.7
177.01953	5.2
178.02303	1.1
178.99904	1.9
179.03545	1.3
180.00252	0.3
181.01439	0.9
181.12332	0.3
188.04703	0.3
189.05556	0.5
191.03474	0.4
193.01418	2.2
195.03110	0.3
199.03996	0.8
201.01962	0.4
201.05640	0.3
203.03413	0.2
205.01355	0.8
216.04045	0.3
217.05045	0.7
218.05540	0.3
223.52170	0.3
225.05481	0.3
239.05533	1.2
241.05034	0.6
242.05496	0.4
255.02902	0.5
259.06067	0.5
259.17474	0.3
260.06699	0.3
269.04556	0.9
271.06104	0.7
275.05618	1.7
276.06079	1.3
281.06720	5.1
282.07016	0.5
283.02539	0.6
285.04004	5.6
286.04398	4.0
287.05600	43.5
288.05963	4.6
289.07135	0.4
299.05469	0.8
300.06003	0.4
303.05106	9.1
304.05417	8.0
305.05618	0.5
311.05707	0.6
328.05432	0.4
329.06476	0.3
433.07709	1.0
459.09174	0.9
482.17358	0.9
483.17807	0.3
508.15512	0.5
569.13031	69.4
570.13409	14.3
604.20972	0.6
614.20074	0.4
632.21124	0.8
632.32458	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3647
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
52.30464	0.3
59.01370	1.3
61.98833	3.4
66.44402	0.4
70.32246	0.3
71.62984	0.4
73.02968	0.5
78.95912	0.3
91.63585	0.4
116.92876	1.5
117.03481	21.3
118.03826	1.3
119.05037	5.0
120.05373	0.4
121.02942	0.4
124.75101	0.4
136.41689	0.3
145.02966	100.0
146.03313	5.1
160.84254	1.2
163.04019	3.7
226.83792	0.4
262.97141	0.4
300.30969	0.4
309.10513	0.4
407.29663	0.4
471.34723	1.9
472.34845	0.6
485.32639	0.9
521.15723	0.4
587.37164	0.8
631.36505	61.0
632.20172	0.8
632.36884	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	631.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04207	0.1
54.62432	0.1
59.01393	0.1
61.98824	0.5
76.74587	0.1
83.01373	0.1
89.03993	0.2
112.24115	0.1
116.02658	0.1
117.03481	24.4
118.03803	1.1
119.05037	3.9
120.05399	0.2
121.02975	0.6
123.04549	0.2
133.02977	0.1
145.02968	100.0
146.03302	5.4
147.04529	0.2
160.84262	0.1
162.03247	0.1
163.04027	3.3
164.04362	0.1
181.75835	0.1
407.25989	0.2
421.27127	0.1
423.29037	0.3
435.29129	0.2
437.30563	0.1
453.30182	0.6
454.30347	0.1
465.30136	0.5
467.31882	0.7
468.31946	0.1
485.32657	0.3
511.30396	0.2
556.35242	0.1
587.37054	0.2
631.36493	61.0
632.36835	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	631.3652
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
59.01395	0.1
61.98823	0.3
65.76794	0.1
69.48017	0.8
71.17838	0.1
73.15526	0.1
79.66505	0.1
82.46495	0.1
89.03970	0.2
117.03476	25.1
118.03794	0.9
119.05035	4.1
121.02993	0.5
123.04559	0.1
133.02943	0.2
145.02963	100.0
146.03294	4.9
147.04553	0.2
156.05008	0.1
162.03233	0.2
163.04022	3.1
163.05394	0.2
164.04332	0.1
208.84077	0.1
217.14502	0.1
393.31830	0.1
407.25833	0.3
423.28915	0.3
435.29239	0.2
437.30792	0.2
446.51947	0.1
453.30246	0.6
465.30118	0.5
466.29953	0.1
467.31729	0.6
468.32065	0.2
485.32703	0.3
511.30548	0.2
587.37610	0.2
631.36481	64.0
632.36810	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	631.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05996	0.5
57.03445	2.8
57.72449	0.5
58.00574	1.3
59.01379	23.0
60.56647	0.6
61.98831	9.3
63.02388	1.2
65.00320	7.0
71.01381	13.3
72.99279	1.1
73.02956	2.8
75.00780	0.5
79.79098	0.6
83.01392	5.9
85.02967	3.7
87.00842	1.1
87.04494	1.7
89.02451	11.3
93.03460	4.7
95.01360	1.3
96.95975	0.8
97.02914	1.2
97.06608	3.7
99.00886	0.5
101.01881	0.6
101.02460	8.7
104.67554	0.5
106.06644	3.6
107.00729	0.9
107.01395	12.0
107.08692	0.6
109.02914	1.7
111.04478	0.8
113.02446	4.6
116.92852	0.9
119.03477	3.4
119.05035	23.3
120.05372	1.3
121.02937	0.8
121.06538	0.8
122.06095	1.8
122.15346	0.6
123.04534	2.7
124.01675	0.9
125.02456	19.6
126.02775	1.0
130.02933	0.7
131.01378	0.9
132.04506	0.5
133.02864	1.0
134.06139	22.3
135.00789	0.7
135.04561	6.7
135.06483	1.0
135.08119	1.3
137.02406	2.2
137.19539	0.6
139.07689	0.6
141.05544	3.4
145.02959	3.4
149.02428	0.6
151.00386	51.7
151.03949	1.8
152.00769	2.7
152.07153	2.3
153.01900	1.3
155.10751	1.4
157.06558	0.9
161.02399	2.3
161.06027	1.3
162.05638	3.2
165.01953	2.9
169.01419	1.8
171.10289	0.8
173.06049	1.7
174.01930	4.2
175.00366	1.3
175.03966	0.8
177.01941	3.8
177.05533	1.1
178.99832	1.7
183.06598	0.8
185.04626	0.6
185.06136	1.5
186.01927	0.8
187.03944	1.2
188.07123	2.4
201.05530	1.6
209.11801	0.7
214.08791	0.8
215.07117	1.4
215.09235	3.8
216.10289	11.9
217.10838	1.5
227.07155	1.9
242.11790	1.0
243.06544	1.6
257.10187	1.0
259.06097	14.3
260.06464	1.6
260.09802	1.1
260.12863	11.9
261.13132	1.6
269.04480	1.5
271.06091	78.7
272.06445	9.0
283.06262	0.8
285.04037	2.2
286.14456	0.8
287.05597	31.8
288.06070	3.2
289.07196	1.5
293.09335	0.8
299.11334	1.3
303.05005	1.2
304.11859	1.5
309.12372	1.3
313.11407	0.9
314.12421	1.0
321.08755	3.6
335.13977	1.6
335.17963	0.6
335.22272	1.3
349.15503	0.6
352.10413	1.1
353.11011	0.7
359.13394	6.9
363.17056	1.6
375.17245	0.8
407.15363	0.6
407.19968	4.0
408.20319	0.8
451.18750	5.0
452.19040	0.8
473.14999	1.0
483.32346	0.7
501.14896	2.8
533.18774	0.7
587.22870	1.2
595.14734	3.8
596.15179	0.9
631.25427	100.0
632.25818	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93355	0.3
53.59435	0.4
56.32964	0.3
57.03450	4.1
58.00590	1.1
59.01379	58.1
60.01698	0.5
61.98831	28.5
65.00315	0.6
69.03474	0.4
71.01382	5.7
71.62218	0.5
72.99308	0.6
73.02965	1.4
81.03482	0.4
83.01406	1.1
85.02972	1.6
87.04530	0.9
88.98826	0.5
89.02454	2.9
90.40662	0.3
93.03490	0.6
95.01404	0.4
96.96011	0.4
97.02967	0.5
99.00900	0.7
101.02439	2.8
107.01418	1.0
109.02970	1.1
109.06600	0.7
111.08199	0.5
113.02485	1.6
116.92934	0.6
119.03554	1.0
119.05059	1.1
121.03000	1.0
123.04539	1.0
125.02461	10.4
125.06103	0.6
126.02670	0.4
127.07675	0.5
131.03482	0.4
135.04547	1.4
137.02504	1.1
137.09744	0.5
139.04028	1.0
139.07718	0.4
139.11313	14.7
140.11694	0.6
145.02991	0.9
149.02475	1.5
149.04613	0.4
151.00388	4.4
151.04019	0.9
151.11356	0.8
153.01947	3.2
155.10773	1.0
161.02434	1.1
161.04628	0.8
163.03992	0.5
163.11330	1.3
164.01170	0.4
165.01904	0.7
165.09210	1.2
167.10754	0.8
169.12370	2.4
175.00319	0.5
175.04007	1.1
177.01979	1.6
178.99896	1.1
179.05644	0.6
179.10796	0.9
181.01453	0.7
181.12366	5.2
183.10280	21.2
184.10667	1.4
191.03560	0.4
195.13902	1.4
197.11880	1.5
199.09647	0.5
199.13409	0.4
217.05058	0.4
225.11316	10.4
226.11740	0.8
241.04901	0.5
243.12367	2.7
255.12494	0.5
259.06165	0.5
267.12274	0.6
269.90213	0.4
271.06006	1.7
275.05652	1.3
285.04041	4.7
285.07175	0.8
285.13446	1.3
286.07932	0.4
287.05573	1.8
288.05881	0.6
289.07245	0.5
299.05606	0.8
303.05090	9.3
304.05530	1.0
375.64914	0.4
405.21436	1.0
459.11877	0.5
460.11978	1.0
481.17337	0.6
529.13171	0.4
569.12921	1.0
571.31073	0.4
593.27887	1.3
595.28027	0.8
613.32245	1.9
631.33551	100.0
632.25183	0.9
632.33887	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	631.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.8
60.99301	1.0
61.98840	3.6
65.03464	0.3
67.01891	1.3
69.56026	2.2
69.67170	0.3
71.01395	4.1
72.99304	0.6
73.02934	0.9
75.00887	0.8
78.95924	0.7
79.31781	0.3
82.25935	0.3
83.05017	0.8
84.05474	0.4
85.02960	2.9
85.06622	0.4
87.00884	1.9
88.98819	3.6
89.02451	3.3
90.02767	0.4
93.03466	7.1
95.01396	0.8
96.96037	0.4
96.96970	1.5
99.00890	0.6
101.02491	2.0
105.01954	0.6
109.02966	1.6
111.04560	2.7
113.02477	1.3
113.94784	0.4
116.92852	0.5
117.24395	0.3
119.03571	1.3
119.05038	45.9
120.05384	2.5
121.02972	2.2
123.04528	0.5
125.02448	1.4
127.04044	0.9
129.01970	0.8
131.07155	2.5
135.04526	1.0
136.01706	0.4
137.02472	5.3
145.02954	0.6
149.02449	0.8
151.04051	0.9
153.02023	0.6
155.03578	2.5
161.02461	0.8
163.04028	100.0
164.01210	0.6
164.04384	5.9
165.01952	27.4
165.04118	1.3
166.02321	1.4
173.04575	15.5
174.04900	0.7
177.01938	1.7
179.03510	4.7
179.05026	0.5
179.05763	0.6
180.04309	20.5
181.04875	1.5
181.07332	0.5
191.05641	23.1
192.04349	0.9
192.05951	0.8
194.05879	1.5
195.05316	1.6
195.06645	39.9
196.07016	2.3
210.05350	3.1
211.07614	0.4
225.07692	12.7
226.08035	0.9
243.08733	3.5
289.07159	1.2
293.12430	8.1
294.12808	1.0
305.12408	0.4
331.08224	1.3
337.09290	41.4
338.09677	4.6
346.10651	0.8
361.13168	2.4
362.13208	0.5
409.15231	1.3
421.14993	6.2
422.15265	0.6
433.13400	0.6
469.10370	0.8
469.17117	15.7
470.17520	2.6
583.20581	1.2
631.22064	2.3
632.20294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07019	0.1
55.83047	0.1
57.03448	5.2
57.03733	0.3
59.01387	0.6
59.50883	0.1
61.20760	0.1
61.98828	1.0
63.02410	0.5
63.65665	0.1
65.00320	2.3
65.62634	0.1
67.01880	0.4
68.99814	0.2
69.39277	1.4
69.71528	0.1
71.01391	0.3
81.03462	1.9
83.01395	3.9
93.03469	2.4
93.40819	0.1
95.01403	0.5
95.05028	0.2
97.03006	0.2
104.92553	0.1
107.01411	2.4
108.02233	0.3
109.02949	1.3
109.71938	0.1
111.00893	0.4
113.20923	0.1
117.03478	0.4
119.05020	0.7
121.02956	0.6
121.98118	0.1
123.00979	0.2
123.04532	0.9
124.01679	1.3
125.02460	53.2
126.02787	1.9
130.04268	0.3
131.01381	0.2
131.05032	0.9
133.02971	1.9
135.00926	0.2
135.04544	0.8
137.02470	0.9
139.03996	0.5
141.18643	0.2
143.05092	0.2
145.02969	0.5
145.06642	0.4
149.02440	1.0
149.06082	0.4
150.03239	0.2
151.00388	7.5
152.01164	4.6
153.01967	3.6
155.05057	0.2
155.10800	1.1
156.05785	0.4
157.06641	1.1
158.03740	0.6
159.04529	1.0
160.04771	0.2
161.02463	0.5
162.03229	0.2
163.00395	0.3
165.01950	0.7
167.03459	0.2
169.01436	0.4
169.06659	0.2
171.04437	0.2
172.05318	2.0
173.06081	5.1
174.06435	0.2
175.00356	0.6
175.04039	1.0
175.07651	0.3
176.01141	0.8
177.01877	0.3
177.05571	5.1
178.05865	0.4
178.99872	5.0
180.00412	0.3
181.01506	0.5
181.06662	0.3
184.08261	0.2
187.07663	0.5
197.06023	0.5
199.04010	0.4
199.07652	1.9
199.09766	1.2
200.04750	0.6
201.05576	5.3
202.05945	0.4
203.03506	0.5
213.05515	0.4
214.06163	0.3
215.07135	6.3
216.07506	0.5
219.06592	0.9
225.05585	0.4
241.05008	1.2
241.10933	0.3
243.06609	9.2
244.06990	0.8
259.06091	55.3
260.06430	5.5
269.04547	6.0
269.07513	0.3
270.04834	0.5
271.06100	0.7
283.06146	2.3
283.11688	0.8
284.06436	0.2
287.05597	100.0
288.05936	10.1
301.07156	0.5
311.05606	0.3
323.07663	0.2
325.07184	0.5
343.13846	1.4
353.06509	0.2
492.21057	0.2
525.16113	0.2
553.38806	0.2
595.14404	0.6
596.15228	0.3
603.21082	0.9
604.20831	0.3
613.19415	0.2
631.20325	8.6
632.20593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16876	0.3
57.03452	1.3
59.01385	0.5
61.98844	0.3
62.09446	0.3
63.02409	1.0
64.99982	0.6
65.00325	10.4
69.31877	3.3
71.54266	0.3
83.01386	4.5
84.17317	0.3
85.48332	0.3
87.04520	0.8
89.94415	0.4
107.01405	17.6
108.01687	0.4
109.02953	1.6
118.01528	0.3
125.02472	14.6
131.01331	0.4
133.02998	1.7
134.03760	1.0
135.04546	59.8
136.04863	3.0
137.02472	0.4
137.09698	0.6
151.00394	100.0
152.00739	4.3
155.10791	3.6
161.02460	5.4
165.01958	0.6
169.01456	1.5
175.00363	1.1
177.01945	0.9
181.08675	0.5
193.01335	0.6
199.09773	9.6
200.10022	0.6
241.10811	2.8
253.10823	1.1
255.12370	0.6
271.06030	0.4
283.11865	4.6
287.05606	58.4
288.05939	4.8
337.63864	0.3
343.13956	9.0
344.14413	1.0
353.84311	0.3
469.17401	1.5
470.17664	0.4
495.15228	0.9
631.20435	20.0
632.20874	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	631.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	3.6
57.03635	2.0
58.00499	0.5
59.01240	6.3
59.01576	3.2
61.98682	3.7
61.99044	1.7
63.02287	0.9
63.02578	0.9
65.00182	5.9
65.00575	2.3
69.30328	3.8
69.30758	2.0
71.01239	4.3
71.01662	1.2
72.99171	0.5
73.02808	2.2
73.03242	1.2
74.71703	0.5
81.03354	1.0
81.03764	0.6
83.01242	5.8
83.01791	1.2
85.02812	1.5
87.04411	0.8
89.02297	3.4
93.03311	4.5
95.01273	0.7
95.04933	0.7
97.02824	0.9
97.06432	2.4
97.07059	1.0
98.20746	1.0
101.02287	3.5
106.06489	0.7
107.01233	13.5
107.02020	1.4
109.02807	1.8
111.00762	0.6
111.93538	0.5
113.02317	1.9
113.03036	0.5
117.03362	0.6
119.03416	0.8
119.04868	18.6
119.05782	1.8
121.02798	1.0
121.06459	1.2
123.04368	3.6
124.01508	1.3
125.02288	41.1
125.03286	3.2
126.02631	1.5
131.04907	0.6
133.02805	1.8
134.06136	7.5
135.04364	13.5
135.08038	1.0
137.02290	1.4
139.07535	0.6
141.05588	3.4
145.02971	3.1
149.02303	1.6
151.00391	62.4
151.02063	1.9
152.00803	3.4
152.07004	0.5
153.01768	2.2
153.09108	0.7
155.10660	1.5
157.06508	0.8
158.03598	0.6
159.04402	1.0
161.02370	1.1
161.06038	0.6
162.05467	1.0
165.01952	2.5
165.05460	0.6
169.01324	1.3
172.05215	1.1
173.06096	3.7
174.01901	1.3
175.00209	2.3
175.03848	1.1
176.01086	0.8
177.01991	3.1
177.05585	3.7
178.99901	3.3
183.06569	1.1
185.06001	0.8
187.03944	1.4
187.64853	0.6
188.07069	1.2
197.05942	0.8
199.07526	1.7
199.09656	1.2
201.05579	4.5
203.03462	1.0
203.06944	0.5
203.70296	0.5
213.05602	0.5
215.05542	0.5
215.07007	5.3
215.09177	2.8
216.07239	0.7
216.10336	4.9
219.06436	0.7
225.05380	0.8
227.07076	1.7
241.04988	1.6
243.06589	6.7
251.99240	0.5
257.10333	0.9
259.06100	45.8
260.06485	3.3
260.12897	4.4
269.04520	5.5
271.06100	71.4
272.06448	7.7
283.06168	1.6
283.11978	0.6
285.04416	0.6
287.05606	100.0
288.05975	9.4
288.08875	0.3
299.11456	0.6
304.11633	0.7
307.08218	2.8
309.12506	0.6
311.05756	0.7
321.08932	1.9
325.07495	0.6
343.14243	1.0
352.10782	0.5
359.13495	8.4
360.14178	0.9
407.20270	1.5
451.19162	2.0
477.31412	1.5
501.15616	0.8
525.16010	0.7
587.23499	0.9
595.14612	11.1
596.15027	2.9
603.21771	1.0
606.02625	0.6
631.26227	38.5
632.26666	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	629.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00628	0.3
57.03458	0.2
59.01369	3.0
61.98829	3.0
69.25781	0.3
69.28463	3.1
73.16145	0.3
77.77007	0.3
78.95907	1.7
87.44110	0.3
94.65331	0.3
96.96954	2.2
99.92587	35.9
100.92676	2.4
100.93257	2.2
105.95475	0.3
110.54927	0.3
114.93380	0.5
115.92082	82.8
116.92157	5.4
116.92863	100.0
117.92889	5.6
117.93640	0.6
130.24899	0.3
132.92366	0.6
220.99208	0.3
393.27502	0.3
421.31366	0.4
452.16586	0.5
469.32813	0.8
470.14990	0.4
503.22906	0.5
508.25632	0.3
512.18860	0.5
521.23724	0.4
529.34692	1.3
531.35559	0.3
536.22382	1.3
539.24701	1.3
540.24609	0.4
550.23828	0.4
551.24658	3.4
552.25208	3.1
553.25671	0.8
569.25781	3.8
570.26276	1.3
585.28973	0.6
599.26733	3.9
600.26770	1.2
611.26764	0.9
629.27924	75.1
630.28204	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80479	0.2
57.03452	0.3
58.00605	0.2
58.29481	0.2
59.01382	1.7
61.98832	12.6
63.02388	0.6
63.99264	0.2
65.00329	0.6
66.63231	0.2
67.28478	0.2
67.48153	0.2
69.03440	0.2
69.29197	1.5
69.29608	0.6
71.01379	1.5
72.99305	0.3
73.02940	0.5
75.00875	0.2
75.81406	0.2
78.95885	0.6
79.33321	0.2
83.01403	0.8
85.02960	0.7
87.00877	0.3
87.04507	0.4
88.98803	0.9
89.02453	1.0
93.03482	1.6
95.01385	0.3
95.05051	0.3
96.96010	0.9
96.96967	0.4
97.02944	0.5
98.19843	0.4
101.02443	0.8
107.01402	1.0
109.02961	1.1
111.00933	0.2
113.02468	0.5
116.92851	0.6
119.05027	0.9
121.02959	0.6
122.03746	0.4
123.04520	0.9
124.01681	0.3
125.02460	1.3
130.09700	0.2
133.02997	0.3
135.04570	1.0
135.23280	0.2
136.05302	0.4
137.02455	2.1
143.05038	0.5
145.02969	0.8
149.02534	0.3
151.00398	3.0
151.04005	0.6
151.07669	2.4
153.01913	0.2
154.04260	0.4
155.10791	1.6
157.06609	0.3
159.04514	0.8
161.02455	0.7
161.04631	0.3
161.06058	0.3
163.04013	0.4
164.01186	0.4
165.01920	1.8
167.03539	0.3
167.04955	0.2
169.01457	0.2
169.06572	0.6
171.04506	0.6
171.10295	0.7
173.02345	0.3
175.03992	0.2
177.01935	0.4
178.99895	0.3
179.03539	0.5
181.08647	0.2
184.05469	0.3
185.06102	1.1
185.11824	0.3
187.03983	0.9
196.28485	0.2
198.03172	0.3
199.03987	0.2
199.09747	3.0
200.10063	0.3
201.05574	0.3
205.05133	0.3
209.11830	0.4
211.04031	0.5
213.05646	0.4
214.02722	0.5
215.03258	0.3
221.11784	0.6
222.71518	0.2
223.13292	0.2
229.04988	1.2
239.03540	0.7
240.04236	0.2
241.05101	0.3
241.10777	0.9
243.02950	0.5
257.04547	0.4
271.06064	3.0
272.06534	0.3
283.11795	1.6
285.04034	100.0
286.04382	9.1
287.05640	1.8
289.07144	0.6
333.20721	0.2
343.13977	1.4
393.00876	0.2
450.24863	0.2
629.26086	2.8
629.39886	2.6
630.26697	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
57.63902	0.2
59.01376	1.4
61.98827	9.2
63.02395	1.6
65.00321	12.9
66.00653	0.3
68.42463	0.3
69.39656	2.5
71.01391	1.1
73.02950	0.6
74.42367	0.2
78.95920	0.2
81.03467	0.6
83.01392	7.3
83.05048	0.3
84.01730	0.3
85.02943	0.3
87.00928	0.3
87.04530	0.2
88.98822	0.7
89.02464	0.3
91.05499	0.2
93.03477	0.9
96.96039	0.7
96.96941	0.2
97.02970	0.8
99.04541	0.5
101.02454	0.6
107.01398	20.5
107.05026	0.5
108.01644	0.3
108.02261	0.5
109.02962	3.4
111.04539	0.2
113.02488	0.3
116.92889	0.3
117.03462	0.3
119.05067	0.6
121.02974	0.8
122.03867	0.4
123.04523	0.6
124.01716	0.3
125.02458	20.1
126.02802	0.8
131.01373	0.8
133.02979	2.8
134.03773	1.3
135.04533	70.1
136.04855	3.5
137.02477	1.4
139.04044	0.3
145.02963	0.4
149.02423	1.2
149.09708	0.2
151.00380	100.0
152.00694	4.7
153.01952	0.3
153.09225	3.0
155.10828	0.4
161.02455	7.5
161.06070	0.6
163.04041	0.3
163.11200	0.2
165.01955	1.5
167.03592	0.3
169.01427	3.0
173.06050	0.2
175.00378	3.8
175.07713	0.3
177.01953	2.2
177.09189	1.1
191.03493	0.8
193.01421	1.2
193.08713	0.4
195.10379	0.5
197.08220	2.1
201.05560	0.4
203.03545	0.3
205.05013	0.3
209.11717	0.5
217.01477	0.6
219.10345	0.4
221.08144	1.6
225.05551	0.4
239.09282	1.6
253.10782	0.6
269.04437	0.8
271.06055	1.8
281.10211	1.7
287.05585	77.6
288.05923	7.9
289.07062	0.4
300.02713	0.8
301.03558	2.9
301.06845	0.5
311.05573	0.4
328.82910	0.3
329.06567	0.4
331.24738	0.3
341.12393	6.5
342.12830	0.8
447.83136	0.3
448.26578	0.3
449.15094	0.4
467.15857	2.2
468.15808	0.4
493.13889	1.1
494.14105	0.3
565.61743	0.3
567.11621	2.4
585.19580	1.3
629.18854	20.3
629.30676	1.4
630.19092	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	629.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29782	0.2
57.03440	0.3
59.01375	6.6
61.98826	5.7
68.16614	0.2
69.03474	0.3
69.23016	1.9
71.01380	2.0
71.89319	0.2
73.02946	1.0
75.00869	1.2
77.03992	0.2
78.95908	0.2
83.01380	0.8
85.02956	1.0
87.00880	1.4
88.98808	0.4
89.02456	1.1
89.03991	0.3
93.03480	0.6
95.01408	0.3
95.05066	0.2
95.62990	0.2
96.96001	0.3
97.02959	0.3
98.20860	0.1
99.00899	0.3
101.02453	1.5
104.02641	0.2
105.03469	0.7
108.02242	0.3
109.02964	0.4
110.05164	0.2
113.02464	1.6
117.03461	0.9
119.03513	0.3
121.02972	0.3
123.00929	0.2
123.04521	0.6
125.02453	0.6
129.01955	0.4
131.03505	0.2
132.02184	2.2
133.02968	36.3
134.03247	1.5
135.00871	0.2
135.04555	3.5
137.02477	0.6
139.04041	0.2
143.03485	0.3
145.02942	0.3
149.04550	0.2
151.00391	0.4
151.04099	0.2
152.01146	0.3
153.01987	0.2
160.01727	0.2
161.02454	100.0
162.02791	5.4
163.04051	0.4
165.01959	0.2
177.01978	0.2
177.04056	0.2
178.99895	0.3
179.03505	2.1
179.05717	0.3
179.10773	0.2
180.00116	0.2
181.07196	0.3
185.93793	0.1
187.03922	0.2
189.01862	0.3
191.05675	0.2
203.07120	0.3
243.00237	0.2
243.02936	0.6
244.03304	0.6
249.06245	0.3
255.02919	1.4
256.03265	1.4
271.02451	3.0
272.02814	3.1
273.02966	0.4
285.73492	0.2
289.07233	0.6
300.02750	5.4
300.99634	0.3
301.03088	7.0
302.03308	0.9
341.06989	0.3
341.10904	1.1
383.11896	1.1
425.12906	0.4
435.10706	0.5
451.12219	0.4
473.16312	0.2
555.19891	0.3
565.11780	0.4
566.12329	11.3
567.12561	2.1
569.15143	0.8
587.16254	3.4
588.16211	0.4
628.36444	0.3
629.17224	25.8
629.72894	0.3
630.17627	5.2
637.23468	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.1
61.98828	57.7
69.03468	0.1
69.54768	0.2
69.55183	0.7
71.01379	2.0
72.99315	0.1
73.02948	1.0
75.00886	0.5
77.03972	0.2
83.01392	0.8
85.02943	0.7
87.00870	1.0
88.32534	0.1
88.98849	0.2
89.02451	1.1
89.03968	0.3
91.01923	0.1
91.97552	0.1
93.03468	0.8
95.01410	0.4
96.96032	0.2
97.02982	0.3
98.19910	0.1
99.00896	0.3
101.02451	1.5
103.17580	0.2
105.03465	0.7
109.02963	0.3
113.02460	1.3
113.35374	0.2
113.43266	0.1
115.00342	0.1
115.01912	0.2
117.03477	1.2
119.03532	0.3
123.04530	0.5
125.02480	0.9
131.03520	0.2
132.02188	2.1
133.02972	34.7
134.03284	1.7
135.00893	0.4
135.04547	3.4
137.02444	1.2
141.01987	0.2
143.03555	0.3
151.00261	0.1
153.01944	0.8
155.10835	0.2
159.04465	0.2
160.01701	0.1
161.02463	100.0
162.02797	5.1
163.04048	0.3
172.95847	0.1
177.01974	0.2
177.04137	0.1
178.99855	0.1
179.03522	2.1
179.05595	0.2
181.07100	0.1
191.05721	0.2
199.09721	0.1
203.03574	0.3
215.12953	0.2
221.04462	0.1
236.52992	0.1
323.10101	0.2
341.10962	0.8
365.08777	0.3
383.12082	0.8
401.40305	0.2
425.12979	0.3
459.11810	0.2
467.13004	0.2
473.16516	0.1
481.16806	0.2
545.14618	0.2
555.19696	0.2
569.15112	0.8
587.16101	3.3
588.16132	0.4
629.17242	24.0
630.17395	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	629.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
55.16106	0.2
55.55918	0.2
55.85104	0.2
56.82379	0.2
57.03436	0.4
58.00633	0.2
59.01375	6.6
61.98826	11.8
63.99241	0.2
69.03472	0.2
71.01382	2.9
71.56868	0.2
72.99318	0.4
73.02956	1.1
75.00870	1.5
77.03984	0.2
78.95905	0.5
83.01378	1.1
85.02942	1.6
87.00884	1.4
88.98811	0.4
89.02439	1.6
89.02840	0.1
89.04006	0.3
93.03459	2.4
95.01406	0.5
95.05042	0.2
96.96017	0.5
96.96980	0.3
97.02980	0.5
99.00899	0.6
101.02428	1.3
104.02698	0.2
105.03483	0.5
108.02197	0.3
109.02969	0.5
111.00918	0.2
113.02469	2.0
115.01868	0.3
116.92862	0.4
117.03477	2.1
119.03526	0.6
119.05031	0.3
121.02950	0.5
122.03799	0.3
123.04546	0.6
125.02473	0.9
129.01981	0.4
132.02184	2.4
133.02968	34.9
134.03259	1.6
134.06218	0.2
135.04536	4.2
135.45518	0.2
136.04857	0.2
137.02454	3.2
137.09721	0.2
137.61063	0.2
138.02821	0.2
143.03494	0.4
145.03012	0.4
149.02411	0.3
149.04520	0.2
150.03256	1.2
151.00371	0.3
151.04024	0.4
152.01135	0.2
153.01935	0.2
155.10786	0.5
160.01605	0.2
161.02454	100.0
162.02794	5.2
163.03998	0.5
165.01901	0.2
165.04276	0.2
165.05585	1.9
175.03976	0.2
177.01929	0.4
177.04088	0.4
178.99860	0.2
179.03491	2.9
179.05600	0.5
179.10773	0.7
181.07156	0.3
191.05629	0.4
191.10870	0.2
195.05049	0.2
195.06641	2.1
199.09763	0.5
211.09648	0.2
249.06087	0.4
255.02866	0.5
256.03372	0.2
271.02365	0.4
272.02792	0.2
283.02319	0.3
284.03265	0.2
285.03830	0.3
289.07123	0.6
300.02585	0.9
301.02966	0.7
303.05133	0.2
323.07245	0.5
323.10196	0.2
341.10950	1.4
383.11819	0.7
385.12662	0.2
407.17075	0.4
407.26364	0.2
425.12546	0.6
441.20615	0.2
467.12714	0.3
473.16467	0.7
473.66537	0.2
481.17325	1.0
509.17316	0.3
545.15326	0.2
547.69824	0.3
555.19946	1.0
555.69928	0.5
566.12079	1.2
567.12659	0.3
569.14966	0.8
581.19299	0.3
587.16223	3.9
588.16565	0.9
593.14655	0.2
629.16962	22.0
629.72894	0.6
630.17303	4.0
630.27295	0.2
637.22864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77771	0.1
57.03450	0.3
59.01376	6.0
61.20021	0.2
61.98834	3.2
69.03457	0.2
70.31382	0.5
70.31783	0.3
71.01380	2.6
72.99321	0.3
73.02952	0.2
75.00884	1.0
76.68269	0.2
77.03995	0.2
81.03475	0.2
83.01391	1.3
85.02958	1.3
87.00446	0.2
87.00890	0.8
88.98848	0.2
89.02457	2.0
89.03976	0.3
93.03471	1.2
95.01414	0.4
97.02975	0.2
99.00900	0.5
101.02438	1.4
104.02700	0.2
105.03507	0.4
107.05022	0.2
108.02169	0.4
109.02974	0.5
111.00883	0.2
113.02467	2.2
115.01943	0.3
116.46182	0.1
116.92878	0.4
117.03477	1.6
119.03503	0.5
119.05000	0.3
121.02996	0.3
123.04557	0.6
124.01669	0.2
125.02416	0.8
129.01958	0.5
131.03548	0.2
132.02184	2.5
133.02972	36.5
134.03255	1.6
135.04549	4.1
136.04849	0.2
137.02437	1.3
139.04057	0.2
141.01944	0.2
143.03528	0.4
145.02965	0.4
149.06119	0.3
151.00409	0.2
151.04047	0.4
152.01166	0.5
153.01973	0.6
155.10823	0.4
157.91548	0.2
159.02986	0.2
159.04466	0.3
161.02458	100.0
162.02797	5.3
163.04073	0.2
165.01929	0.3
175.04051	0.2
175.07611	0.2
177.01906	0.2
177.04066	0.2
177.05482	0.3
178.02728	0.2
179.03510	2.7
179.05630	0.7
181.07248	0.2
191.05608	0.2
193.04982	0.2
195.05113	0.5
203.03609	0.2
221.04550	0.2
233.04539	0.2
249.06137	0.3
271.06064	0.5
289.07132	0.3
315.08600	0.2
323.09766	0.5
341.06799	0.2
341.10916	2.8
365.08673	0.4
383.11911	0.6
431.22406	0.2
473.16779	0.2
527.13397	0.2
548.06323	0.2
569.15063	0.8
570.16101	0.2
587.16168	5.0
588.16626	1.0
628.72754	0.4
629.17218	29.4
630.17487	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	628.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
59.94001	0.3
61.98825	4.2
62.57782	0.3
65.00328	0.5
69.62359	2.0
69.62768	0.6
71.01402	0.9
73.02953	0.7
74.15653	0.4
83.01374	0.5
85.02946	0.7
87.00874	0.4
89.02445	0.5
93.03433	0.4
95.01376	0.3
98.19880	0.7
101.02456	0.4
107.01422	0.8
108.02169	0.9
109.02950	0.7
111.04467	0.3
113.02496	0.5
121.02986	0.6
122.60354	0.3
125.02472	0.6
132.02170	0.5
133.02965	9.6
135.00905	0.8
135.04524	1.0
137.08266	0.3
144.15143	0.3
148.01692	1.1
151.00392	4.2
152.00960	0.3
161.02455	29.8
163.00452	0.7
164.01025	0.5
178.99855	3.1
179.03519	0.8
179.10823	0.3
187.04004	0.4
192.00774	0.4
199.32355	0.4
215.03513	0.5
216.04236	0.6
226.02686	1.3
227.03426	1.5
243.02969	8.4
243.34552	0.4
244.03444	0.7
254.02164	1.9
255.02968	22.2
256.03314	2.0
271.02454	43.9
272.02875	6.1
289.07104	0.4
296.98956	0.3
299.01974	1.3
300.02737	100.0
301.03183	13.0
325.03098	0.4
328.80420	0.3
341.06589	1.1
341.10825	0.4
342.06934	0.6
387.11206	0.4
393.05310	0.4
466.12225	0.9
473.16486	0.3
565.12018	86.8
566.12366	15.9
587.15979	1.2
627.35663	0.6
628.21558	0.4
628.36993	0.4
629.17206	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	628.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01377	6.3
61.98829	87.4
62.98527	1.2
63.99253	8.2
65.00335	0.7
69.34232	4.6
69.34647	2.0
71.01390	3.1
72.99294	0.8
73.02958	1.1
75.00880	7.4
83.01398	1.5
85.02962	2.5
87.00858	1.0
89.02464	1.3
89.03919	0.7
92.38821	0.6
93.03466	0.7
99.00900	1.3
99.42809	0.6
101.02458	1.9
107.01411	1.8
108.02189	1.1
109.03023	0.8
111.00853	0.8
113.02483	1.8
116.92893	0.6
117.03488	1.6
125.02417	0.8
129.01965	1.3
133.02965	12.8
135.00919	0.6
135.04567	1.6
137.02493	0.9
145.02957	1.3
148.01698	0.6
150.03227	1.8
151.00388	3.7
159.67068	0.6
161.02457	37.7
163.04025	0.9
164.01222	0.9
165.05524	2.3
175.03993	0.6
177.01921	0.9
177.03957	0.8
178.99886	2.0
179.03542	1.3
188.04811	0.6
189.02034	0.6
191.05646	2.0
195.06618	2.6
226.02841	0.9
227.03461	2.0
243.03020	6.4
244.03157	0.8
254.02148	1.4
255.02968	19.4
256.03394	3.2
271.02441	40.6
272.02805	5.0
283.02533	4.6
284.02832	3.2
285.03851	3.3
286.04364	2.1
287.04526	2.3
299.01813	1.4
300.02744	100.0
301.03180	13.0
302.03772	0.7
328.99200	0.7
341.06784	1.0
407.17053	0.8
431.09592	2.0
432.09988	2.3
433.10242	2.7
434.10419	0.7
473.16394	0.8
474.17355	0.7
555.20190	0.9
565.12012	89.6
566.12354	16.5
587.16168	1.3
627.36176	4.1
628.36652	3.3
629.16833	8.4
643.47437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
58.39998	0.8
59.01377	74.4
60.01703	1.3
61.98820	2.6
71.01382	12.2
71.40690	1.3
71.41016	0.8
72.99314	2.3
73.02946	1.8
73.36894	0.8
75.00877	8.1
83.01399	1.1
85.02946	5.0
87.00871	2.6
88.19664	0.7
88.98810	2.5
89.02451	3.9
93.03472	1.9
95.01414	0.9
96.96031	2.0
99.00887	2.2
101.02445	3.6
111.00800	0.7
113.02451	4.7
114.17516	0.8
115.00404	3.7
115.46951	0.9
116.92870	7.8
121.02967	37.0
122.03841	5.1
125.02427	1.7
129.01964	1.7
133.02940	1.5
135.04501	0.7
137.02469	1.6
137.09734	2.7
139.76787	0.7
149.02455	25.4
150.03246	58.1
151.00331	0.8
151.03816	2.6
155.10805	15.5
156.11102	1.2
161.02444	7.8
164.04787	8.5
165.05580	80.9
166.05913	4.2
175.07684	1.6
176.04773	3.8
177.04074	4.6
177.05365	0.8
179.03510	12.4
180.04303	5.7
191.05624	2.6
191.07069	1.8
194.05840	14.9
195.06631	100.0
196.06976	6.8
198.60580	0.7
199.09758	5.1
200.72939	0.9
209.08194	41.5
209.41997	0.7
210.08553	2.9
237.03981	4.0
241.10756	1.0
246.60942	0.8
249.06082	1.3
251.40395	0.8
301.03311	1.2
310.08447	1.2
342.11124	6.6
355.64114	0.8
357.13419	43.1
358.13757	5.9
405.15533	34.9
406.15912	6.2
424.30707	0.8
449.16660	1.3
465.09451	1.5
547.12042	0.9
583.22473	2.8
584.23090	0.9
586.68634	0.9
609.20874	1.9
627.22083	17.6
627.36377	2.0
628.21783	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	627.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26495	0.7
53.74966	0.7
55.01854	1.1
57.03446	4.3
57.70003	0.7
58.00611	1.1
59.01105	1.0
59.01383	16.7
61.98822	3.9
67.01897	0.7
68.99837	1.6
69.03461	1.6
70.73195	1.9
71.01387	17.0
72.00885	0.6
72.34332	0.7
72.99313	8.5
72.99706	1.1
73.02958	3.3
75.00876	14.3
78.95914	1.3
81.03461	0.8
83.01390	1.9
85.02956	20.8
87.00882	7.5
88.98825	1.0
89.02453	3.8
93.03481	2.9
95.01388	2.5
96.96042	5.4
96.96972	1.4
97.02914	1.3
99.00897	7.6
101.02450	2.7
103.00386	1.5
106.67910	0.7
109.02998	1.5
111.00900	2.1
111.04512	0.8
111.63313	0.7
113.02468	11.8
115.00372	1.7
117.01968	1.1
119.05025	0.8
121.02982	3.1
125.02490	1.4
127.04021	1.0
129.01976	4.9
135.08168	1.5
137.02463	1.9
137.09723	9.0
145.02979	2.6
146.03796	0.9
151.04039	1.2
155.10797	71.1
156.11128	4.0
159.03040	1.3
165.01932	2.2
173.04593	2.0
175.02507	1.6
177.04092	7.0
179.03471	0.8
179.22690	0.7
180.04352	1.6
181.07257	0.9
181.08733	2.8
189.01965	1.6
189.22884	0.9
191.05624	37.6
192.05951	0.8
195.05128	1.9
195.06660	2.0
199.09763	19.4
225.07703	3.6
231.05151	1.5
249.06172	10.4
267.07132	0.9
273.13403	6.5
284.49652	0.8
289.07233	1.2
290.05286	0.7
301.02637	0.7
310.62354	0.9
337.09293	0.9
341.06747	1.9
342.07321	1.0
351.33212	0.6
357.13358	1.6
387.16635	0.9
405.16061	1.4
431.15726	1.1
435.10806	1.1
441.80811	0.7
446.36902	0.7
449.16620	38.3
450.17017	4.3
451.18488	1.0
453.12415	0.7
465.12003	0.8
466.90945	0.9
473.10818	0.7
479.21106	0.8
529.15857	1.2
609.20648	11.7
610.21271	1.3
618.70477	0.8
627.21655	100.0
628.21924	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	627.2107
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
56.60866	0.2
59.01405	0.5
61.98864	0.9
70.06718	1.0
70.07124	0.3
73.02953	1.5
73.47407	0.2
78.95946	0.4
96.97012	0.7
116.92912	0.4
234.90163	0.2
260.01450	0.2
327.31711	0.2
437.12503	0.9
437.55722	0.2
438.13058	1.5
439.13928	0.4
451.14044	1.6
452.14832	4.1
453.15390	0.7
465.16611	1.1
466.16379	1.0
469.11557	0.4
470.16379	0.5
478.12415	0.3
479.17209	0.8
480.14459	0.9
481.14981	8.9
482.15195	2.2
484.13663	0.6
493.15161	1.7
494.15979	1.2
495.16714	16.9
496.17068	5.7
498.15610	0.4
502.14648	0.3
507.16205	1.5
508.17932	2.5
509.18387	2.1
510.19125	0.3
512.13605	1.0
513.13434	0.3
518.16211	0.4
519.16626	0.2
521.14813	0.7
522.15247	0.5
523.17438	0.9
523.18958	0.9
524.17230	0.4
525.16656	0.4
526.14746	1.3
533.18152	0.8
535.16162	2.2
536.16888	3.3
537.17334	0.6
539.15582	0.8
540.16821	3.8
541.16980	1.0
544.15668	0.4
551.19299	38.6
552.19586	12.0
553.17291	0.8
554.18549	1.0
555.18982	1.2
556.18835	0.3
567.18652	0.5
568.15753	1.0
569.16382	0.4
572.15570	3.1
573.15631	1.1
583.21802	0.3
586.17249	2.6
587.17273	0.9
595.18323	7.1
596.18555	2.7
627.21039	100.0
628.21344	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.2
59.01108	1.0
59.01379	17.2
61.98812	1.2
64.76578	0.8
67.17139	0.8
68.99826	0.9
69.03456	1.8
69.30077	8.5
71.01381	16.5
72.99309	5.3
73.02937	2.8
75.00869	17.3
79.78618	0.7
83.01365	1.1
84.02147	0.9
85.02950	12.8
87.00881	5.7
87.04501	1.9
88.98808	1.4
89.02450	3.2
93.03416	1.0
95.01393	2.6
96.96014	5.0
96.96954	1.2
97.02961	1.8
99.00882	8.8
101.02483	1.6
111.00890	1.6
113.02452	9.8
115.00379	1.9
116.92858	2.9
117.01945	2.2
121.02937	3.0
129.01918	5.3
129.26523	0.8
135.08182	1.2
137.09734	8.4
139.11191	0.8
141.01857	0.9
145.02975	0.9
149.02396	2.5
150.03275	4.7
155.10786	49.5
156.11108	2.7
157.01411	1.4
159.03008	1.0
161.02460	1.1
164.04814	1.1
165.05586	7.3
175.02522	0.8
177.04063	14.3
178.04279	1.0
181.08664	2.2
189.75897	0.8
191.05515	1.4
194.05879	2.4
195.05020	1.2
195.06639	8.0
199.09749	16.0
200.10057	1.2
209.08133	4.0
231.05032	1.2
249.06088	7.9
271.74799	0.9
273.13321	4.7
357.13235	4.0
405.15363	2.4
449.16565	9.7
450.16760	0.9
451.18323	1.4
479.21350	0.9
551.19604	1.2
609.20453	15.5
610.20935	2.7
627.21490	100.0
628.21863	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	627.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
58.13556	0.4
59.01374	4.9
60.99286	0.4
61.98829	8.7
65.00330	0.5
69.50748	3.1
71.01373	4.0
71.47547	0.4
72.99309	0.8
73.02948	0.8
73.37846	0.4
75.00881	3.4
75.84013	0.4
80.34618	0.4
81.03456	0.5
83.01382	0.5
85.02966	2.3
87.00873	0.7
88.98830	2.5
89.02454	2.4
91.01367	0.8
91.01904	11.7
93.03458	2.7
95.01408	1.0
96.96030	0.6
97.02973	0.9
99.00932	0.6
101.02448	2.5
107.05041	1.1
108.02185	13.0
109.02983	7.1
111.00838	0.7
113.02478	2.0
116.92863	0.5
119.03528	1.0
119.05046	0.8
121.02952	1.7
122.03744	0.5
123.00911	4.8
123.04536	2.7
124.01749	0.5
125.02470	2.5
133.02937	0.9
134.03722	0.6
135.00902	12.6
135.04547	0.9
136.01233	0.9
137.02455	9.9
139.04030	0.5
145.02954	1.9
147.04477	0.4
149.02391	0.7
151.00404	0.8
151.02213	2.1
151.04033	2.6
152.01176	16.9
153.01974	4.8
154.02406	0.6
155.10727	0.5
159.04568	0.7
160.01663	1.4
161.02425	1.7
161.04568	0.7
161.06104	1.0
163.03998	0.7
163.06154	0.5
165.01915	1.3
173.04604	0.6
175.03986	2.8
177.01918	1.5
178.99870	0.5
179.05669	0.7
181.07153	0.9
183.13907	2.0
187.04004	0.9
188.04808	0.7
189.01939	1.5
191.03365	0.6
193.05075	1.0
195.01222	1.2
195.02875	0.6
197.06024	1.5
199.07593	0.5
203.07100	1.2
205.05141	0.8
213.05544	1.0
215.07184	0.4
216.00636	0.5
217.01465	2.4
219.02977	0.6
225.05611	0.4
227.12975	0.7
231.02927	1.1
231.06702	0.6
234.92223	0.4
239.00014	0.5
241.05147	0.6
243.06607	100.0
244.06920	8.8
245.08168	1.4
258.25983	0.5
259.02481	1.1
271.06125	0.7
282.63528	0.4
283.02548	0.6
285.03998	1.2
289.07162	5.1
290.07504	0.6
297.06305	1.3
300.02554	0.4
301.16528	0.8
325.11426	0.7
337.09399	2.3
341.06650	3.8
343.12225	3.6
355.08112	0.7
405.11902	56.1
406.12228	7.4
443.12024	0.6
465.11835	7.7
465.17517	0.8
466.12231	1.3
475.18808	0.4
535.24084	3.5
553.25458	0.7
627.16016	4.1
627.25928	0.6
627.36139	1.0
656.52008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
57.85454	0.6
59.01382	8.5
60.99310	16.3
61.98833	31.0
65.40514	0.6
70.00684	3.0
71.01380	5.9
72.23358	0.6
72.99309	0.7
73.02956	1.2
78.95896	1.7
80.91684	1.8
83.01406	1.3
83.05018	0.8
85.02954	2.0
86.24989	0.6
87.00885	1.2
88.98815	100.0
89.02451	4.3
89.14200	0.6
89.84351	0.6
89.99142	0.9
93.03480	1.3
96.96029	1.2
97.02959	1.1
99.00891	0.7
100.73145	0.6
101.02427	3.6
103.65230	0.5
107.01398	1.0
109.03004	1.8
113.02463	1.6
116.92838	1.2
117.03485	0.9
119.03520	1.3
119.05027	1.6
121.02951	1.8
123.04576	1.2
125.02471	2.7
135.04565	1.2
135.08218	1.1
136.05397	0.7
137.02486	4.4
143.03503	0.7
145.02988	3.4
149.02477	1.0
150.03236	1.4
151.00395	4.2
151.03886	0.7
151.07687	3.8
151.15344	0.7
152.99634	1.1
153.01912	0.8
160.01645	1.4
161.04626	1.3
163.11270	1.0
165.05612	1.1
167.03539	0.7
171.10318	1.4
175.04021	1.7
179.03584	1.3
195.06656	1.4
197.11893	1.1
198.12270	0.8
199.13403	9.3
199.16158	0.7
209.11839	14.1
217.01424	0.8
227.07391	0.6
253.09341	1.7
271.06094	7.6
272.06586	1.0
285.04016	1.4
289.07214	0.8
293.64459	0.6
303.05023	0.7
373.26224	0.8
375.27621	1.6
417.07471	0.6
591.28223	1.0
626.35773	0.9
627.38708	10.1
628.38611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74897	0.9
55.01876	3.2
57.03448	3.8
59.01379	16.7
60.84335	0.9
64.42793	1.1
67.67151	0.9
70.94473	3.0
71.01388	40.0
72.44070	0.9
72.99322	1.9
73.02942	14.2
83.01395	8.7
85.02961	23.0
87.00917	1.3
89.02451	2.5
95.01406	2.5
99.00891	9.1
101.02452	33.9
102.02787	1.3
113.02467	16.7
125.02433	1.0
143.03537	2.0
159.03020	3.4
161.04572	24.5
191.05603	6.9
205.65550	1.2
219.11818	1.2
269.10324	14.1
270.10806	2.0
313.09274	100.0
314.09836	8.0
461.00082	1.0
577.46002	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
61.98831	100.0
62.98535	0.1
62.99269	0.1
68.66364	0.1
71.01379	0.2
75.00864	0.3
89.02444	0.1
98.20729	0.2
117.03490	0.1
151.00389	0.1
155.10886	0.1
169.06633	0.3
185.06203	0.1
209.11983	0.1
211.04044	0.2
213.05611	0.2
227.03633	0.4
255.02986	3.2
256.03488	0.5
257.04691	0.2
277.47144	0.1
283.02481	9.4
284.03052	1.2
285.04047	8.3
286.04395	0.8
297.15457	0.1
324.18689	0.1
417.08554	0.3
430.09015	2.4
431.09824	6.7
432.10138	1.0
469.76550	0.1
563.14087	11.3
564.14423	1.9
606.05865	0.1
627.36237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98829	100.0
71.01381	1.2
71.55592	0.6
71.55971	0.6
73.02979	0.5
73.48573	0.5
76.82217	0.4
78.95911	1.1
83.05035	0.7
85.02961	0.6
88.98861	0.7
89.02467	1.1
93.03483	1.0
96.95988	0.7
101.02467	1.0
107.01425	0.7
113.02487	0.9
123.04564	0.7
125.02472	1.1
126.35917	0.4
137.02441	2.3
150.83463	0.5
151.00450	0.8
152.99626	0.6
165.01854	0.4
171.10313	1.2
173.04602	0.7
179.03523	1.3
188.05003	0.5
191.05745	1.2
197.11832	6.9
197.13533	0.7
198.12178	2.8
201.05652	0.6
209.11819	6.7
210.12189	3.6
211.13615	0.5
227.03461	0.5
236.13814	0.7
253.09302	0.8
271.06216	1.7
390.23917	0.7
399.34052	0.5
441.86688	0.5
445.47009	0.6
464.34805	0.7
465.36304	0.6
530.18280	0.7
608.31525	1.0
626.18604	0.6
626.28040	0.8
627.29376	1.4
627.38324	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78585	0.1
59.01379	0.9
61.98826	100.0
62.98526	0.3
62.99272	0.1
69.64825	0.4
69.65244	0.6
71.01385	0.5
72.99308	0.2
75.00880	0.6
75.07969	0.1
85.02946	0.2
87.00895	0.2
88.98830	0.2
89.02453	0.3
93.03478	0.2
98.20525	0.3
101.02442	0.3
104.16872	0.1
116.42039	0.1
116.92867	1.3
117.01953	0.2
119.03437	0.2
121.02965	0.2
123.04463	0.2
125.02467	0.2
137.02425	0.2
145.02933	0.2
146.03368	0.1
150.03233	0.2
151.00362	0.2
155.10799	0.9
161.02394	0.4
165.05597	0.5
176.23198	0.1
177.04152	0.2
183.04590	0.1
185.06099	0.2
189.05637	0.1
191.05675	0.2
195.05072	0.2
195.06596	0.6
199.09833	0.2
209.08211	0.2
209.11893	0.4
210.12407	0.2
217.01218	0.1
227.03603	0.2
255.02957	3.3
256.03381	0.3
257.04697	0.1
278.63123	0.1
283.02460	11.9
284.02863	1.5
285.04022	5.2
286.04468	0.4
341.06717	0.2
357.13718	0.2
363.16553	0.2
405.15607	0.4
417.08163	0.7
430.08972	3.8
431.09637	2.3
431.15039	0.2
465.12015	0.3
486.77383	0.1
563.14069	16.6
564.14465	3.3
626.22980	0.4
627.26105	0.5
627.36615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06569	0.5
55.01868	0.5
57.03434	0.6
59.01093	0.9
59.01378	12.5
60.54821	0.5
65.56247	0.5
69.03478	0.5
69.50610	4.0
70.10714	0.5
71.01380	10.1
72.99320	0.5
73.02946	1.2
75.00879	8.4
81.03482	0.6
83.01376	1.0
85.02959	3.6
87.00869	0.8
88.84251	0.4
89.01902	0.9
89.02446	9.1
93.03469	2.4
95.01387	1.6
99.00883	0.7
101.02451	8.0
108.02181	55.9
109.02996	17.4
110.03333	0.7
113.02460	3.9
119.03515	4.7
119.04992	1.0
121.02997	0.9
123.00888	1.1
123.04572	0.7
129.05586	1.4
137.02481	3.2
139.00375	0.5
139.04022	0.7
142.01219	0.5
147.06641	1.3
151.04013	1.5
152.01166	55.5
153.01958	22.9
154.02327	0.9
161.04457	0.6
163.03983	2.8
165.01895	2.3
179.03529	1.1
179.05482	0.5
181.05093	0.6
224.89619	0.5
225.03915	0.7
237.06096	3.5
239.36098	0.5
259.90775	0.5
309.11908	66.8
310.12247	4.8
315.07196	100.0
316.07556	9.2
463.14499	1.7
507.05206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12925	0.3
53.33033	0.3
55.01869	0.8
57.03448	1.0
58.00595	1.0
59.01380	21.0
60.65835	0.3
61.98830	9.7
65.00339	0.4
69.03458	1.1
71.01383	15.3
71.56453	0.3
71.56913	0.6
71.72325	0.3
72.01726	0.4
72.99322	1.5
73.02946	2.3
73.21040	0.3
75.00883	1.2
78.95893	0.3
81.03421	0.6
83.01385	1.8
83.05031	0.6
85.02962	3.9
87.00887	2.9
88.98814	3.3
89.02448	13.4
90.02750	0.3
91.03976	0.3
93.03461	0.9
95.01406	0.7
97.02967	2.1
97.06601	0.4
99.00880	1.2
99.04513	0.4
101.02457	11.6
107.01435	0.8
109.02982	0.6
111.00911	0.5
111.08181	0.8
113.02456	5.6
113.98242	0.3
116.92860	0.5
119.03504	3.0
121.02977	0.8
125.02447	4.2
127.03984	0.3
131.03595	0.4
133.02985	0.4
133.05090	0.4
134.03757	0.4
135.04556	0.8
137.02454	1.0
143.03508	1.4
145.02979	0.4
145.79884	0.3
151.00378	2.8
151.04008	0.9
155.10815	1.0
160.01611	0.4
161.02533	1.5
161.04567	1.5
165.12869	9.6
166.13295	0.3
169.01495	0.3
175.04097	0.4
177.05621	0.3
178.99898	1.1
179.03540	0.6
179.05630	1.3
183.13913	67.4
184.14227	4.4
193.05023	0.4
199.09770	0.8
209.11858	1.0
221.06602	1.5
227.10728	0.6
227.12889	7.6
228.13197	0.5
235.08202	1.6
241.10817	0.4
253.09312	0.4
263.07727	0.6
285.03897	0.3
287.05579	0.7
301.03537	6.0
302.03986	0.7
323.07254	0.4
375.27719	0.6
387.24063	0.4
397.13489	4.7
415.14621	3.3
607.25873	1.0
625.11163	2.6
625.27222	100.0
626.27557	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.9
59.01382	2.6
60.99305	0.6
61.98827	68.4
62.98542	0.9
63.02394	1.3
63.99258	0.8
65.00324	4.0
67.01883	0.6
68.99821	0.6
71.01387	1.7
72.99299	0.5
73.02940	0.5
75.00868	6.4
78.95937	0.3
81.03460	3.9
83.01389	6.3
85.02962	1.2
87.00882	0.5
88.98818	2.8
89.02446	0.8
93.03464	5.5
95.01392	1.0
97.02924	0.7
98.19855	0.8
101.02451	0.9
107.01395	6.9
108.02204	0.8
109.02944	2.4
111.00883	0.8
111.04542	0.3
113.02472	0.6
116.92855	0.6
117.03468	0.6
119.05019	1.4
121.02946	1.9
123.00892	0.7
123.04523	2.3
124.01627	2.1
125.02454	49.5
126.02782	2.0
130.04243	0.4
131.01375	0.7
131.05055	1.2
132.02226	0.6
133.02968	3.6
134.03796	2.4
135.00887	0.4
135.04509	1.2
137.02457	4.0
139.04063	2.1
143.04968	0.4
145.02962	1.2
145.06546	0.6
147.04559	0.6
149.02478	3.1
149.06134	0.7
149.99574	0.4
150.03180	0.4
151.00378	16.9
151.03981	0.7
152.01178	4.8
153.01955	11.6
154.02415	0.5
155.05061	0.4
156.05843	0.4
157.06590	1.3
158.03717	1.9
159.04497	1.4
160.01668	3.4
161.02461	2.3
163.00409	0.6
163.04012	0.6
164.01218	0.3
165.01939	2.1
167.03528	1.9
168.00685	0.4
169.01418	1.3
171.04480	0.6
172.05318	4.2
173.06082	10.1
174.06430	0.5
175.00400	1.7
175.04004	5.9
176.01122	1.4
176.04483	0.6
177.01958	1.2
177.05563	3.1
178.99873	12.2
179.03468	0.8
180.00249	0.7
181.01442	0.6
187.07629	1.0
189.01901	0.5
191.03505	0.6
191.07184	0.7
193.01369	0.4
193.05075	1.7
194.02136	0.3
195.03021	0.7
195.04825	0.3
197.06143	0.7
199.03990	0.7
199.07733	1.6
200.04756	1.4
201.05582	3.1
203.03467	0.6
209.04590	0.4
213.05614	0.6
214.06393	0.4
215.07127	13.8
216.07434	0.9
219.06778	0.8
225.05652	0.7
229.05013	0.3
241.05016	2.1
243.06604	6.8
244.06995	0.5
255.06638	0.6
257.08188	0.6
258.05264	0.5
259.06088	100.0
260.06433	9.1
265.04904	0.3
267.10693	0.5
269.04492	3.3
270.04907	0.5
271.06046	0.9
273.07693	2.3
283.06104	16.4
284.06305	1.4
287.05594	69.2
288.05930	6.3
295.08301	0.5
300.02820	0.4
301.03836	0.3
301.07187	6.8
302.07532	0.7
311.05594	2.1
313.07239	0.9
323.07635	1.5
325.07108	0.8
329.06543	0.8
337.09268	1.1
367.12582	0.3
373.26077	0.6
374.26181	0.7
375.27197	0.6
446.73291	0.3
463.11472	0.3
476.71262	0.4
490.11017	0.9
491.11932	2.6
492.12396	0.5
517.09619	1.0
519.11322	0.4
595.88879	0.3
597.16119	23.2
598.16479	6.0
607.14612	0.8
624.32678	0.4
625.15771	6.3
625.25531	0.5
625.38507	5.2
626.15997	1.6
626.25970	0.4
626.38098	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78737	0.4
57.03450	0.7
59.01373	1.0
60.28247	0.3
61.77376	0.3
61.98830	15.0
63.02398	1.2
65.00323	14.1
66.00692	0.4
69.46598	0.5
69.46924	3.2
71.01391	0.7
73.02966	0.5
75.00891	1.5
83.01393	6.2
88.35784	0.3
88.98800	1.0
89.02413	0.4
89.71696	0.3
93.03470	0.9
97.02949	0.4
101.02464	0.4
102.02267	0.4
107.01398	23.9
109.02982	3.1
119.05048	1.3
121.02941	0.7
125.02465	6.7
131.01396	1.4
132.02173	0.7
133.03020	0.9
134.03752	2.5
135.04538	64.4
136.04863	3.2
137.02501	1.4
145.02968	0.4
149.02438	0.5
151.00385	100.0
152.00710	4.1
159.04535	0.5
160.01637	2.5
161.02458	3.0
165.01952	1.6
169.01424	1.9
175.00386	6.1
175.04012	3.7
177.01984	2.0
193.01433	1.6
193.05069	1.4
201.75745	0.4
217.01428	0.5
271.06058	4.7
272.01331	0.4
281.84518	0.4
287.05594	85.4
288.05917	7.9
301.07181	1.1
311.05563	0.8
323.07672	1.2
329.06641	0.6
337.09277	10.3
338.09741	0.8
420.86469	0.4
481.42529	0.5
489.10403	3.1
625.15668	10.9
625.26501	0.7
625.38391	0.8
626.15778	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	625.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.2
59.01379	2.2
59.58012	0.3
60.99313	0.5
61.98832	80.4
62.98555	0.9
63.02398	2.0
63.99258	0.6
65.00322	3.6
68.99832	0.3
71.01382	2.4
72.99339	0.4
73.02961	0.5
75.00875	6.9
78.95937	0.5
81.03462	4.8
83.01385	5.8
85.02974	0.9
87.00856	0.5
88.98823	5.0
89.02470	0.9
93.03480	4.8
95.01399	1.1
97.02976	1.0
98.20741	0.7
101.02465	1.0
107.01402	5.7
107.05045	0.5
108.02145	0.4
109.02980	2.5
111.00937	0.7
113.02474	0.7
117.03473	0.5
119.05039	1.5
121.02946	2.3
123.00860	0.9
123.04549	3.1
124.01658	2.2
125.02464	49.3
126.02784	2.5
131.01411	0.5
131.05054	1.0
132.02252	0.7
133.02979	3.5
134.03738	2.5
135.04517	1.1
137.02473	2.9
139.04050	2.3
139.11221	0.4
145.02963	1.1
145.06622	0.9
149.02472	3.1
149.06117	1.1
150.03297	0.4
150.99162	0.9
151.00391	18.6
151.03958	0.6
152.01190	4.6
153.01965	13.1
155.05083	0.4
156.05875	0.5
157.06610	0.9
158.03767	1.6
159.03096	0.5
159.04482	1.2
160.01649	3.3
161.02441	2.1
163.00385	0.6
163.03995	0.7
165.01968	2.0
166.02644	0.4
167.03548	1.9
169.01421	1.5
169.06621	0.5
171.04561	0.9
172.05325	4.8
173.06084	10.0
174.06444	0.8
175.00386	1.7
175.04019	5.9
176.01184	0.7
176.04718	0.6
177.01904	1.3
177.05562	3.4
178.99884	14.5
179.03485	0.9
180.00189	0.7
181.01399	0.9
187.07640	1.2
193.01326	0.4
193.05046	1.5
195.02972	0.5
195.04785	0.4
197.06105	0.7
199.03920	0.5
199.07597	2.0
200.04784	1.5
201.05554	4.5
203.03516	0.6
213.05653	0.6
214.06496	0.6
215.07138	12.9
216.07513	0.9
219.06578	0.8
225.05641	0.6
235.06125	0.7
241.05066	2.4
243.06636	7.3
244.06993	0.4
255.06639	0.8
257.08267	0.7
259.06104	100.0
260.06427	9.0
260.09045	0.8
267.10818	0.5
269.04578	3.4
271.06030	0.9
273.07748	2.0
283.02951	0.7
283.06128	15.7
284.06430	1.7
285.07526	0.5
287.05606	75.1
288.05927	7.5
295.08243	1.0
301.07153	6.2
302.07629	0.5
311.05502	2.2
312.05743	0.5
313.07065	0.8
323.07739	1.5
325.07227	1.1
329.06503	0.9
337.09256	1.0
373.25803	0.6
489.87173	0.4
490.10648	0.5
491.12146	2.2
517.09503	0.8
597.16168	24.3
598.16632	4.5
607.14459	1.1
625.07715	0.5
625.16217	6.1
625.28247	1.3
625.38422	6.1
626.16235	1.1
626.39142	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84677	0.4
51.04428	0.5
57.03459	0.9
59.01377	11.1
59.85675	0.5
61.98848	2.1
65.00353	1.2
69.78206	3.3
71.01378	8.9
72.99329	0.5
73.02975	2.3
81.13564	0.5
83.01412	0.7
85.02955	2.8
87.00928	1.9
89.02453	8.6
93.03469	0.6
93.18002	0.5
95.01403	0.6
99.00880	3.3
101.02454	4.8
107.01429	2.1
108.02212	1.5
109.02983	1.0
109.80323	0.5
111.00903	0.5
113.02462	3.1
119.03573	0.8
121.02950	3.6
123.04549	1.0
125.02513	2.2
129.01964	0.9
131.03572	1.6
133.03072	0.7
135.00888	0.8
135.04468	0.6
137.02489	1.1
143.03566	1.1
148.01678	1.3
149.04559	3.1
151.00397	7.7
151.04100	0.9
152.01146	0.9
153.01958	0.7
153.09265	1.2
155.10794	0.8
161.02446	1.3
163.00414	0.8
164.01141	0.7
177.04077	1.8
178.99884	5.3
184.06709	0.5
187.04179	0.6
191.03560	0.5
191.05586	2.5
199.04010	1.1
199.09787	0.6
201.02203	0.6
203.03583	0.7
215.03488	0.8
226.02704	1.1
227.03474	3.4
243.02988	9.7
245.04607	0.8
249.06123	0.9
254.02264	2.3
255.02968	25.4
256.03323	2.3
265.29666	0.5
271.02448	58.7
272.02869	5.5
273.03839	1.2
283.02371	0.7
287.02002	3.0
289.07309	0.9
299.02005	2.1
300.02744	100.0
301.03339	21.7
302.03659	1.1
315.01328	0.7
316.02158	3.8
317.02835	1.7
322.89456	0.6
391.17639	0.7
445.07718	1.0
451.19269	0.5
463.02609	1.1
463.08752	13.9
464.08902	2.4
493.22845	0.9
540.68079	0.6
625.14026	74.1
625.26935	10.5
626.14502	14.7
626.26886	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	625.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84677	0.4
51.04428	0.5
57.03459	0.9
59.01377	11.1
59.85675	0.5
61.98848	2.1
65.00353	1.2
69.78206	3.3
71.01378	8.9
72.99329	0.5
73.02975	2.3
81.13564	0.5
83.01412	0.7
85.02955	2.8
87.00928	1.9
89.02453	8.6
93.03469	0.6
93.18002	0.5
95.01403	0.6
99.00880	3.3
101.02454	4.8
107.01429	2.1
108.02212	1.5
109.02983	1.0
109.80323	0.5
111.00903	0.5
113.02462	3.1
119.03573	0.8
121.02950	3.6
123.04549	1.0
125.02513	2.2
129.01964	0.9
131.03572	1.6
133.03072	0.7
135.00888	0.8
135.04468	0.6
137.02489	1.1
143.03566	1.1
148.01678	1.3
149.04559	3.1
151.00397	7.7
151.04100	0.9
152.01146	0.9
153.01958	0.7
153.09265	1.2
155.10794	0.8
161.02446	1.3
163.00414	0.8
164.01141	0.7
177.04077	1.8
178.99884	5.3
184.06709	0.5
187.04179	0.6
191.03560	0.5
191.05586	2.5
199.04010	1.1
199.09787	0.6
201.02203	0.6
203.03583	0.7
215.03488	0.8
226.02704	1.1
227.03474	3.4
243.02988	9.7
245.04607	0.8
249.06123	0.9
254.02264	2.3
255.02968	25.4
256.03323	2.3
265.29666	0.5
271.02448	58.7
272.02869	5.5
273.03839	1.2
283.02371	0.7
287.02002	3.0
289.07309	0.9
299.02005	2.1
300.02744	100.0
301.03339	21.7
302.03659	1.1
315.01328	0.7
316.02158	3.8
317.02835	1.7
322.89456	0.6
391.17639	0.7
445.07718	1.0
451.19269	0.5
463.02609	1.1
463.08752	13.9
464.08902	2.4
493.22845	0.9
540.68079	0.6
625.14026	74.1
625.26935	10.5
626.14502	14.7
626.26886	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	624.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.89043	0.2
67.57776	0.2
69.99553	0.2
71.58186	0.3
78.95918	0.2
86.44667	0.3
185.71954	0.2
255.23293	0.5
267.65442	0.2
606.49622	0.3
616.90057	0.2
625.36688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96545	0.2
59.01363	0.2
61.98828	100.0
70.41269	0.7
75.24303	0.2
80.80936	0.2
96.38423	0.2
98.47124	0.2
100.58478	0.2
118.60645	0.2
228.10828	0.2
254.02571	0.2
255.23236	0.4
264.69022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52408	0.4
59.01381	1.7
61.98828	1.2
65.00346	0.8
71.01395	1.2
71.65166	0.7
83.01419	0.8
85.02974	0.8
87.00861	0.7
89.02477	0.9
93.03484	1.2
107.01407	1.7
108.02210	0.7
109.02998	1.1
111.00890	0.6
113.02470	0.8
119.05054	0.7
121.03004	1.5
122.49995	0.4
125.02470	1.2
137.02449	1.2
145.02948	0.6
147.04602	0.5
150.05707	0.7
151.00389	7.5
161.02493	0.7
163.00410	0.8
163.04071	1.1
164.01184	0.5
165.01965	0.7
171.04453	0.5
175.00394	1.0
175.03978	0.9
177.04167	0.6
178.99869	1.6
183.04565	0.5
183.32982	0.4
187.04044	0.7
191.05562	0.9
193.01582	0.5
199.04016	1.8
201.01999	1.1
201.96986	0.5
207.05325	0.7
211.03958	0.7
213.01964	0.4
215.03525	1.7
222.39058	0.4
226.02737	1.3
227.03442	2.5
241.90573	0.5
243.02930	4.3
254.02313	0.9
255.02843	2.2
271.02448	55.0
272.02802	5.2
273.04169	0.6
299.01971	100.0
300.02530	18.9
301.03534	43.3
302.03897	4.4
313.03653	0.7
343.04398	1.0
459.43433	0.4
462.07996	21.2
463.08740	34.8
464.09076	3.6
474.07248	0.5
475.83276	0.5
505.09973	1.3
535.19330	1.3
553.88074	0.5
625.14154	79.4
626.14459	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	623.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26796	0.4
57.03437	0.4
59.01377	3.0
61.98830	1.3
62.28977	0.3
69.44940	1.2
69.45362	1.8
71.01383	17.7
73.02938	0.7
74.02475	0.8
75.00886	1.2
79.46338	0.3
83.01378	0.4
85.02962	1.6
87.00888	1.0
88.98821	0.7
89.02454	1.5
92.86709	0.3
93.03477	1.1
97.02995	0.4
99.00907	0.7
101.02432	1.4
107.04982	0.3
108.02180	9.1
109.02990	3.4
111.00913	0.4
113.02451	1.0
115.00385	9.1
116.03552	0.8
117.03465	2.6
119.05013	2.4
121.02966	100.0
122.03282	4.0
123.04476	0.4
125.02482	1.0
129.01895	0.4
133.02939	1.4
135.04559	0.6
137.02409	1.1
141.93831	0.3
145.02963	14.3
146.03284	0.7
151.00456	0.4
151.04010	0.4
151.99953	0.8
152.01154	12.5
153.01974	4.3
153.09288	0.4
161.02451	5.7
163.04012	2.2
177.04063	0.8
179.03548	0.7
179.05525	0.4
191.05598	0.8
195.05072	0.5
213.05556	0.4
237.04039	16.9
238.04277	1.3
284.03348	0.4
307.08240	0.9
315.07211	3.0
323.07535	0.5
417.11966	0.8
457.10648	0.4
461.10773	7.2
462.10648	0.9
477.27438	0.5
503.11469	0.6
580.29535	0.8
587.15790	0.7
588.16699	0.5
616.52319	0.4
623.15808	15.4
624.16321	3.2
624.24750	0.6
652.56274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.5
57.03436	1.3
58.73605	0.4
59.01380	6.5
60.99303	0.6
61.98830	65.4
62.96409	0.7
70.46241	1.4
71.01386	5.5
71.04991	0.5
72.99317	1.0
73.02936	1.6
73.95376	0.5
75.00874	1.2
75.56010	0.4
78.95908	100.0
80.02682	1.5
81.03458	1.1
83.01408	1.3
83.05034	7.5
84.02166	1.6
85.02975	2.3
85.67709	0.6
87.00900	0.7
88.98813	5.2
89.02451	2.7
91.38625	0.4
93.03489	1.2
93.54341	0.4
95.01408	0.7
95.05044	1.3
96.96043	0.5
96.96971	9.9
97.02948	0.8
99.00891	0.5
101.02458	3.8
107.01415	0.5
108.02168	0.6
109.02975	1.7
109.06609	0.9
113.02469	2.4
116.92865	2.3
119.03538	0.6
119.05032	1.3
121.02963	0.7
123.04533	1.0
124.01681	0.5
125.02436	3.9
125.06097	0.8
134.98531	1.6
135.04489	0.7
135.08188	1.5
137.02473	2.8
145.02969	1.0
147.04501	0.4
150.03189	0.4
150.97995	0.7
151.00377	1.7
151.04021	1.5
152.99603	59.1
153.99959	1.1
161.02460	0.9
161.04596	1.9
161.05905	0.5
161.09659	0.4
163.03970	0.5
163.11314	6.3
164.01122	0.5
164.11594	0.7
165.01950	0.8
165.12854	3.9
171.00581	1.0
174.34491	0.4
175.03912	0.7
179.03409	0.5
179.05682	0.4
181.12323	1.3
190.02702	0.6
191.10770	1.6
203.07104	0.4
205.05142	0.9
207.10291	1.1
209.11832	98.2
210.12166	7.9
225.11299	1.1
227.12891	8.4
228.13161	0.8
265.12906	0.6
271.06052	1.8
285.04041	1.0
289.07111	1.6
363.12140	27.0
364.12646	2.4
375.27509	0.6
381.13202	8.0
382.13190	0.6
383.11487	0.9
395.14777	7.0
396.15021	1.0
401.24902	1.0
413.15781	1.6
461.19360	0.9
563.29913	6.9
564.30841	0.5
591.25757	49.1
592.26062	10.1
623.28375	38.8
624.28656	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	623.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.2
69.67842	3.6
71.01382	16.9
75.00894	0.8
77.01481	0.6
85.02983	1.2
86.21419	0.5
87.00885	1.2
88.44368	0.5
88.98807	0.9
89.02460	1.6
92.12309	0.5
93.03462	0.9
95.01425	0.7
98.20715	0.6
101.02460	2.3
108.02184	9.2
109.02977	4.3
111.00867	0.6
113.02464	0.9
115.00387	9.4
117.03471	2.2
119.05019	2.0
121.02969	100.0
122.03294	4.1
124.02290	2.3
125.02470	0.9
133.02960	1.7
134.06165	0.7
137.02452	1.0
138.76639	0.5
145.01884	1.1
145.02974	12.3
145.04105	0.6
146.03387	0.7
152.01160	13.0
153.01984	3.1
154.02301	0.5
158.14044	0.5
161.02470	4.5
163.04080	1.2
173.04666	0.6
173.06352	0.5
177.04063	0.7
180.98582	0.5
186.36276	0.6
187.04021	0.6
191.05621	0.8
192.99657	1.4
205.62117	0.5
236.98714	0.7
237.04050	19.1
237.06419	1.1
238.04385	1.2
295.10837	1.0
307.08273	1.1
315.07339	3.7
325.26062	0.6
327.73782	0.5
387.17819	0.5
423.95993	0.6
445.11349	0.9
461.10898	6.5
462.11148	1.3
475.17572	1.0
497.71738	0.6
507.87537	0.7
533.17798	1.1
543.71692	0.6
563.19781	1.3
587.16223	1.7
623.16174	18.0
624.16406	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	623.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14062	0.3
59.01377	2.5
61.98829	0.8
71.01386	17.1
72.01705	0.4
72.99345	0.4
73.02940	0.6
74.02480	0.9
75.00883	1.3
83.04999	0.3
85.02964	1.6
87.00893	1.0
88.98850	0.4
89.02444	1.4
93.03480	0.8
95.01363	0.5
99.00887	0.4
101.02454	0.9
108.02176	1.9
109.02958	1.1
111.00904	0.5
113.02456	1.4
115.00387	8.8
116.03551	0.7
117.03471	0.7
119.05035	1.3
119.69998	0.3
121.02969	100.0
122.03305	3.8
123.04523	0.3
125.02471	0.9
129.01927	0.4
133.02959	1.3
135.04521	0.6
137.02451	1.2
139.04063	0.3
145.02965	3.3
146.03267	0.4
147.22122	0.3
149.00739	0.3
152.01170	2.6
153.01936	1.4
159.04488	0.3
161.02460	3.0
163.04030	0.8
164.76627	0.3
173.04599	0.4
175.75566	0.3
177.04071	1.0
179.03508	0.9
187.92943	0.4
191.05685	0.7
237.04031	15.4
238.04378	1.2
249.06197	0.7
281.06796	0.5
315.07224	0.5
318.52786	0.4
323.07611	0.6
385.11343	0.7
439.30551	0.3
445.11282	0.7
461.10767	3.1
462.11142	0.4
477.26978	0.8
580.30005	1.1
587.16284	0.6
623.16553	3.3
623.25488	0.9
624.16357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.163
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
55.01871	1.1
57.03430	3.9
59.01097	1.5
59.01375	21.2
60.99294	3.3
61.98824	10.9
65.00328	1.1
67.01898	1.0
68.99802	1.2
69.03461	2.3
69.42429	2.2
69.42825	8.1
71.01379	25.2
72.99313	7.1
73.02951	7.4
75.00870	26.1
83.01373	3.8
83.05036	1.2
85.02951	21.0
86.03301	1.0
87.00882	11.4
88.98812	17.9
89.02446	10.3
93.03457	2.8
95.01421	4.7
95.05029	2.5
97.02943	1.5
99.00890	12.4
101.02429	5.2
103.00363	2.8
105.01943	3.2
108.02183	1.9
109.02962	2.8
111.00900	3.0
113.02456	17.5
115.00372	3.6
117.01938	2.2
118.68549	1.2
119.03539	1.7
119.05013	2.1
121.02926	1.2
123.04538	1.5
125.02442	4.7
129.01920	6.3
131.03404	1.2
137.02431	2.9
141.01918	1.1
143.03505	1.1
145.02974	5.0
147.03009	2.2
148.01581	1.1
149.02457	1.0
151.00395	4.8
151.04022	1.5
152.01080	1.4
153.01912	2.8
155.10788	10.7
157.01347	1.6
159.03009	1.5
161.02386	1.2
163.04079	1.3
163.11298	3.4
165.04063	12.4
165.05414	1.1
169.01418	1.0
175.02498	2.1
175.04001	2.5
177.04047	6.5
178.99863	1.7
179.05617	1.1
179.10818	2.2
179.43695	1.0
181.12355	40.4
181.82661	1.0
182.12726	2.2
191.05605	1.2
195.05077	4.5
199.03992	4.1
199.09779	2.6
203.03455	1.4
205.05069	1.4
225.11304	10.8
226.02730	1.0
226.11746	1.0
227.03468	6.1
242.02106	1.8
243.02965	27.0
244.03458	2.8
249.06119	15.0
251.06287	1.1
254.02022	1.2
255.02939	18.5
256.03522	1.8
257.04471	3.2
267.07111	2.1
270.01639	2.9
271.02435	49.3
272.02957	7.8
277.44180	1.0
281.31183	1.1
285.04031	7.2
286.04736	2.9
287.05386	2.2
289.07098	1.1
299.01974	41.2
299.14944	3.6
300.02673	39.2
301.03140	4.0
314.04303	35.9
315.05069	100.0
316.05505	9.6
349.95715	1.0
357.05969	1.1
372.31674	1.1
382.66803	1.2
389.15930	2.3
413.17917	2.0
427.15958	1.7
449.16663	2.6
451.79193	1.2
457.16656	2.5
474.16788	2.2
475.18149	86.1
476.18521	13.2
591.20459	1.4
605.20782	4.1
622.73761	1.0
623.15802	65.4
623.23132	48.3
624.16382	15.1
624.24146	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	621.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.4
57.03445	3.5
58.00589	1.4
59.01381	26.3
60.99298	1.8
61.98832	42.9
69.03442	1.5
71.01387	52.5
72.01726	1.2
72.99301	3.7
73.02953	17.8
75.00866	2.5
78.95904	3.6
81.03457	0.6
83.01397	7.5
83.05029	0.8
85.02958	23.9
87.00865	3.3
88.98811	11.2
89.02449	14.3
93.03446	1.7
95.01415	3.6
97.03002	3.1
97.33024	0.6
99.00899	5.3
101.02459	36.7
108.02183	0.6
109.02961	1.6
109.57092	0.7
113.02466	20.6
116.92879	2.3
119.03494	3.4
119.05008	1.3
121.02972	1.9
123.04565	1.4
125.02448	5.1
129.01930	1.2
131.03514	1.3
135.04552	1.1
137.02455	2.4
138.01892	1.1
139.04120	0.8
143.03503	3.5
145.02962	1.8
149.02454	0.6
149.04552	0.8
151.00391	1.5
151.03951	1.4
152.59460	0.5
152.99606	1.5
157.08769	0.8
159.03017	4.0
159.10291	1.6
159.23114	0.6
161.02505	1.1
161.04590	21.9
162.04926	1.1
171.10309	1.3
177.01936	0.8
178.99983	0.5
179.05679	3.6
190.02649	0.6
201.11443	0.9
205.03442	0.9
205.05170	1.0
209.11865	2.8
216.71426	0.6
221.06415	0.7
225.11263	0.8
229.95499	0.6
239.33099	0.6
265.12885	2.0
271.06180	2.2
285.04037	0.7
340.04779	0.6
359.24353	0.6
373.25894	2.4
399.23834	8.7
400.24152	0.9
527.12158	0.7
561.29230	100.0
562.29572	18.5
589.23724	0.9
621.25409	1.1
621.33807	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85088	0.4
54.11829	0.5
55.01885	1.4
57.03442	3.2
58.00596	1.3
59.01379	29.4
60.99298	0.5
61.98830	7.8
63.13044	0.5
67.01905	1.0
68.99821	1.2
71.01385	24.0
71.64351	0.8
72.01718	0.6
72.99303	5.9
73.02954	3.2
75.00876	14.1
75.01292	0.8
81.03476	0.9
83.01394	2.0
83.05061	0.8
83.41837	0.5
84.02240	0.5
85.02954	18.0
85.03446	0.9
87.00880	6.8
87.59480	0.4
88.98817	2.1
89.02451	13.1
91.03996	0.6
93.03491	1.7
95.01399	4.4
96.96037	0.8
97.02944	0.5
97.06601	0.8
99.00883	8.5
101.02460	8.1
103.00378	1.6
109.02968	1.0
111.00910	0.8
111.04541	0.6
113.02461	19.2
114.02755	0.6
115.00414	1.8
117.01978	2.2
117.03490	1.0
119.03513	3.7
119.05040	0.8
121.02957	0.6
123.04575	0.8
125.02490	1.3
129.01978	2.0
131.03539	1.2
135.02968	0.5
135.11827	0.5
137.02440	1.0
139.00455	0.5
145.02989	1.9
147.04573	0.6
147.11810	8.2
149.00716	1.6
151.00374	0.9
151.04018	0.7
153.02037	0.6
157.01501	0.9
159.04550	0.8
161.02466	0.6
161.04572	0.9
161.09775	0.8
165.01967	0.8
165.04071	2.1
165.12885	1.1
175.02516	2.3
175.04010	0.7
177.04121	0.8
177.31123	0.4
179.10771	3.3
187.04088	0.5
191.10797	3.9
192.11078	0.6
192.99626	0.7
199.79718	0.5
209.11772	2.4
211.04030	0.8
213.05579	0.5
227.03487	1.1
231.05186	1.3
249.06139	11.4
250.06572	0.7
255.02974	10.1
256.03363	1.5
267.07251	1.4
269.04688	0.6
271.02402	1.1
283.02472	17.2
284.03091	2.2
285.04037	41.1
286.04416	4.2
289.07291	0.7
299.01965	1.7
327.05017	1.3
371.17062	1.6
429.17664	1.4
446.08701	2.1
447.09314	9.2
447.15234	0.7
448.09454	1.1
459.09424	1.6
473.16666	9.2
474.16931	1.3
549.12311	0.6
580.98828	0.5
603.23431	2.3
621.24207	100.0
622.14026	0.9
622.24493	19.7
630.34155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
55.37334	0.7
57.03440	4.0
58.00586	1.5
59.01377	26.2
61.98822	8.4
67.01881	1.0
68.99821	1.6
71.01382	29.3
72.99312	8.3
73.02951	8.2
75.00877	25.5
81.03431	0.9
83.01399	3.4
85.02954	29.5
86.03316	1.0
87.00883	13.2
87.04533	1.8
88.98795	0.9
89.02455	11.6
91.04028	2.4
95.01395	6.9
97.02962	1.7
98.20413	4.1
99.00891	13.8
101.02431	4.1
103.00400	3.1
105.01968	3.0
109.02957	1.1
111.00895	2.2
111.04554	1.0
113.02464	31.3
114.02789	1.4
115.00389	2.3
117.01963	4.3
119.05056	2.3
123.04520	1.6
125.02499	1.9
129.01976	3.1
131.03528	1.0
135.11806	5.1
137.02510	1.2
145.02983	2.9
145.69452	0.9
147.03085	2.4
149.00587	1.3
151.00429	1.2
155.10826	0.8
157.01469	1.5
159.08211	2.4
161.02522	1.1
161.04674	1.0
161.09734	6.0
163.03993	1.0
165.04047	14.8
174.01649	0.9
175.02538	3.2
177.04088	1.8
179.05638	1.1
179.10783	38.9
180.11156	3.2
189.03973	1.5
205.07159	1.5
223.09854	1.1
231.05095	2.8
249.06133	24.5
250.06415	1.8
255.02969	1.9
267.07181	10.3
269.38614	0.8
271.02484	8.9
284.03311	1.2
285.04022	1.4
297.13519	2.6
299.01978	14.3
299.05176	1.2
300.02576	1.8
301.03467	6.0
405.34607	0.9
411.16794	2.5
415.03680	0.8
429.17560	14.9
430.18106	2.2
432.07196	3.0
432.46140	0.9
433.07935	2.4
445.17175	1.0
455.15393	3.9
456.16269	0.9
473.16629	100.0
474.16953	15.5
483.22562	1.0
515.17670	1.1
549.12897	1.0
555.20313	1.0
561.29352	1.2
582.49921	0.8
621.20874	72.1
622.21045	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	621.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.4
57.03455	3.6
57.03670	0.7
58.00572	1.6
59.01377	29.7
61.98813	1.4
62.32942	0.7
67.01892	1.2
68.84255	0.6
68.99799	3.2
69.61543	0.9
69.61871	5.9
71.01001	1.5
71.01386	27.6
72.98946	0.6
72.99313	9.6
73.02952	6.1
75.00462	1.6
75.00876	31.4
81.03442	1.4
83.01357	2.4
83.05029	1.0
85.02956	32.1
87.00893	11.8
88.98792	1.1
89.02451	10.6
91.03983	1.5
93.03428	1.9
95.01394	6.8
98.20599	1.2
99.00891	16.3
101.02418	3.1
103.00400	3.7
105.01894	2.3
109.02908	1.1
111.00852	2.3
111.04514	1.5
113.02460	32.8
114.02743	0.9
114.93365	1.3
115.00381	3.7
117.01959	3.9
119.03484	0.9
119.04992	1.0
127.04041	0.9
128.20042	0.9
129.01945	4.3
131.03503	1.2
135.11826	9.0
136.12141	1.2
137.02394	1.2
139.00378	1.0
145.03006	3.9
147.02937	2.7
147.11740	1.4
149.04552	0.8
153.01854	0.9
153.09140	1.4
157.01326	1.9
159.08174	1.0
161.09732	4.0
165.04065	10.6
175.02432	3.5
177.03986	1.1
179.03514	0.8
179.10786	31.3
180.11110	1.9
189.04044	1.1
231.05150	4.4
249.06145	30.2
250.06345	1.1
267.07208	11.2
289.06943	0.8
297.13333	1.3
429.17694	19.4
430.17752	3.0
445.17117	1.0
455.15451	1.5
459.12512	1.7
473.16638	83.0
474.16946	12.8
515.17334	0.9
603.18933	2.2
604.18683	1.2
621.20367	100.0
622.20764	20.7
649.15283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2576
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.09777	0.7
55.01595	0.5
68.99810	0.6
69.77985	0.4
70.63888	1.2
70.64298	1.3
78.84972	0.6
78.95907	5.3
96.96941	0.7
110.45779	0.6
111.95907	0.6
120.43664	0.6
152.99625	2.9
169.12051	0.5
209.11806	1.1
214.08551	0.7
255.23337	3.8
389.15262	0.9
391.22430	1.0
401.14047	3.3
415.15323	3.0
416.16327	12.9
417.16943	3.6
429.16910	0.9
430.17969	3.2
431.18628	1.9
434.17322	0.6
444.15509	0.7
445.16129	0.7
457.16235	0.9
458.17435	1.2
459.18225	100.0
460.18570	21.1
473.19809	16.5
474.20374	8.3
475.20697	0.8
480.86942	0.6
485.15991	1.3
487.17252	1.0
499.17450	0.8
501.19141	1.3
502.19528	1.2
503.16983	2.8
504.18027	0.9
517.18402	1.5
518.19550	47.7
519.19788	10.1
532.21118	8.2
533.21857	86.2
534.22198	17.5
543.20203	0.9
558.84009	0.6
559.22894	0.6
587.22888	6.4
588.23425	1.7
619.25739	87.1
619.34595	3.0
620.26129	23.7
620.36353	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1473
Annotation	Kaempferol 3-[2'''-acetyl-alpha-L-arabinopyranosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
50.98940	0.4
57.03452	0.7
59.01366	3.2
61.98825	2.0
63.08904	0.5
65.00340	0.9
65.04424	0.4
65.80273	0.4
69.69689	3.4
71.01381	3.5
72.99306	0.9
73.02946	1.0
75.00873	2.1
75.33756	0.4
83.01408	1.2
85.02967	2.8
87.00872	1.1
89.02454	1.6
95.01375	0.8
98.19885	0.8
99.00896	0.8
101.02467	1.3
107.01418	1.4
107.86452	0.4
109.02927	2.2
111.00896	0.6
113.02455	1.6
116.92894	0.4
119.03461	0.4
119.05020	1.1
123.04549	0.5
125.02442	0.8
129.01947	0.8
133.02971	0.9
135.00874	0.9
137.02469	1.8
145.02963	1.9
147.00807	0.5
149.02437	0.6
151.00372	7.8
151.04001	0.5
159.04501	1.2
161.02386	1.0
163.00398	1.4
164.98004	0.6
165.01947	1.2
166.02728	5.4
167.03177	0.5
171.04501	1.4
173.06087	0.7
174.03094	0.7
175.04025	1.2
177.04079	0.9
178.99818	1.7
181.05083	6.9
181.12334	1.1
183.04486	0.8
185.06081	1.1
187.03961	1.3
189.05606	0.5
190.99854	0.7
191.01923	0.7
199.03922	3.9
199.09782	0.5
201.01949	0.9
201.05579	1.3
203.03552	0.9
211.04083	2.2
213.01935	1.0
214.02621	0.6
215.03526	1.6
226.02744	1.6
227.03479	7.8
228.04036	1.3
229.05008	2.5
240.04074	0.8
242.02258	0.7
243.02933	5.0
245.04501	0.7
249.06174	0.5
255.02943	16.5
256.03622	2.4
257.04303	0.8
271.02438	59.2
272.02817	5.6
273.03976	1.3
276.34555	0.5
283.02499	2.4
284.03220	10.2
285.03824	2.5
299.01947	100.0
300.02478	16.7
301.03510	58.4
302.03931	5.7
354.75424	0.5
387.10715	1.4
417.15515	9.0
418.15771	1.3
446.08481	27.5
447.09232	37.3
448.09729	4.1
461.99374	0.5
475.08817	11.3
476.09216	1.5
561.12573	1.4
561.28448	0.7
579.14001	2.2
580.13934	0.8
621.14655	83.0
621.23383	4.8
622.14972	17.9
622.23474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90162	0.7
54.15255	0.7
59.01378	5.0
60.99301	1.4
61.52111	0.7
63.01925	0.6
67.01891	3.9
68.99793	0.6
69.03466	0.8
69.29693	1.9
69.30114	5.6
71.01390	6.0
73.02932	0.8
73.81095	0.6
75.00850	0.9
78.95892	0.9
80.03069	0.6
81.05340	0.6
83.05038	0.8
85.02956	3.1
87.00874	4.3
89.02436	1.6
93.03463	27.0
96.96018	1.0
99.04523	0.8
101.02436	0.9
109.02942	1.6
111.00938	1.3
111.04536	4.9
113.02439	1.6
117.80418	0.8
119.05045	12.7
137.02446	4.1
145.02948	1.7
155.03534	3.6
163.04019	18.5
164.04414	1.1
173.04559	100.0
174.04913	3.6
175.03932	1.2
178.65349	0.8
179.05501	0.9
191.05618	23.6
192.05962	1.5
193.05017	0.9
208.64090	0.8
223.30264	0.7
238.38947	0.7
337.09277	38.7
338.09488	4.3
341.21689	0.7
367.87149	0.8
484.65018	0.9
584.23096	0.8
621.20642	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	619.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
56.94276	0.5
56.95509	0.4
57.03447	2.8
58.00575	1.1
59.01377	20.2
60.99297	0.5
61.98830	32.9
63.02392	1.5
65.00325	11.5
71.01382	19.1
71.05041	0.7
71.65739	0.6
72.98956	0.5
72.99296	2.5
73.02949	4.1
75.00864	0.8
83.01390	8.0
83.05022	0.8
83.68851	0.5
85.02966	5.1
87.00877	2.5
88.98814	3.4
89.02453	20.2
93.03469	3.2
95.01379	1.2
96.96042	1.2
96.96998	0.7
97.02970	0.9
97.06610	0.7
99.00922	1.5
101.02451	17.7
107.01401	20.3
107.02131	1.0
108.01689	0.8
109.02961	2.7
111.00928	0.9
113.02468	7.6
116.92856	4.0
117.03475	0.7
119.03523	8.1
119.05030	7.0
120.05389	1.2
121.02966	1.2
122.03727	1.5
123.04527	2.0
123.08169	1.1
124.01645	0.7
125.02461	22.2
125.09750	2.0
126.02788	1.0
131.03532	2.4
133.02986	2.1
134.03731	1.4
135.04538	55.3
136.04898	2.7
137.02466	6.9
137.09752	0.7
139.03969	1.1
139.11368	0.5
143.03529	3.3
145.02968	2.7
146.03313	0.5
149.00656	0.6
149.02481	1.5
149.04532	1.0
151.00386	100.0
152.00703	5.5
153.00882	0.8
153.02016	0.6
154.02722	0.5
154.45763	0.4
155.10730	0.8
159.02975	0.5
161.02472	6.4
161.04596	5.8
161.05971	0.8
163.03957	1.1
164.01166	1.3
165.01944	8.5
168.00549	0.6
169.01425	3.4
169.08704	0.7
171.10278	1.4
172.10638	0.8
175.00378	2.0
177.01955	3.2
178.99875	3.2
179.03566	1.3
179.05614	24.0
187.09766	8.4
193.01453	3.3
201.05774	0.6
201.11316	0.5
203.03354	0.5
203.07158	0.8
205.01410	1.1
205.05130	0.7
209.11798	1.7
210.12163	1.4
211.09834	0.6
215.12987	0.7
221.06641	7.2
229.10838	4.0
255.02989	1.6
269.04449	1.2
271.06113	21.7
271.11920	5.3
272.06427	6.3
273.06760	3.2
283.02368	3.1
284.03134	0.6
285.04062	4.1
286.01077	0.8
287.05606	54.0
288.05972	7.0
289.07089	0.7
295.06158	0.8
313.07202	1.0
315.09012	0.5
331.14087	8.3
332.14264	0.8
341.10464	1.5
353.23257	1.0
359.11340	1.6
369.09799	1.1
371.24359	1.0
387.10992	0.7
413.08807	1.2
430.09326	0.7
431.09656	2.7
445.70538	0.5
457.17264	1.4
483.14966	0.9
484.15521	0.5
517.49847	0.5
530.07941	0.5
546.28516	0.5
559.27527	2.4
581.15906	3.0
582.40784	0.6
583.15051	0.8
601.15527	4.7
602.15997	1.3
619.20203	24.3
619.30768	11.6
620.20654	4.5
620.30981	2.1
640.70129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26155	0.5
53.33884	0.4
58.00582	0.9
59.01377	28.7
69.75373	1.9
69.75785	1.6
71.01001	0.9
71.01383	16.5
72.99310	1.4
78.95924	0.9
80.43889	0.5
82.40559	0.5
83.01366	0.9
85.02958	2.3
87.00868	0.9
89.02448	19.9
96.96018	0.6
101.02456	13.8
113.02473	6.2
119.03517	10.2
125.02446	1.2
135.68427	0.6
137.02467	0.6
143.03566	0.8
145.88469	0.6
147.06636	1.4
147.69017	0.6
149.04547	0.6
149.99652	0.6
179.05556	1.2
279.10834	0.6
309.11893	100.0
310.12201	7.7
434.66098	0.6
466.28989	0.5
619.13275	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	619.168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67784	0.2
63.02412	0.4
63.52422	0.2
65.00061	0.3
65.00351	0.6
76.28106	0.2
81.06651	0.2
83.01395	0.9
89.33292	0.2
93.03458	1.1
99.99719	0.2
107.01428	0.8
109.02980	0.6
117.03497	0.8
121.03048	0.3
127.55991	0.2
135.00948	0.3
143.05045	0.7
151.00363	1.6
153.01974	0.3
154.04283	1.0
155.05042	0.8
157.06575	0.3
159.04565	1.4
163.00394	0.8
165.01929	0.6
167.05060	0.6
168.05739	0.4
169.01469	0.2
169.06610	2.5
171.04556	0.9
173.02411	0.9
173.06145	0.4
182.03700	0.3
183.04539	3.1
185.02525	0.5
185.06078	2.6
187.03996	1.9
189.05577	2.1
195.04567	0.5
198.03215	0.3
199.04019	0.7
211.04021	2.7
212.04657	0.3
213.05547	3.5
214.02681	1.6
214.05969	0.4
215.03467	1.3
217.05057	0.3
226.02834	0.3
227.03482	6.1
228.03990	0.3
229.05043	2.1
239.03456	1.3
241.05054	0.9
243.03006	1.6
255.02969	43.3
256.03397	4.0
257.04520	3.5
258.04868	0.4
266.53391	0.2
267.02957	0.4
283.02463	87.4
284.02945	11.7
285.04019	100.0
286.04361	10.1
322.45181	0.2
327.04950	0.3
336.50009	0.2
430.09039	15.2
431.09796	40.1
432.10184	4.8
473.10770	2.6
474.11035	0.3
619.16766	35.8
620.17096	8.0
649.23901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07465	0.2
59.01377	6.9
61.98828	8.5
63.02113	0.3
63.02413	0.3
63.98507	0.3
65.00337	0.6
67.59676	0.3
71.01398	0.9
71.39101	0.6
72.99326	0.3
75.00896	0.3
83.01414	0.5
85.02962	0.7
88.98786	0.4
89.02451	0.4
93.03528	0.3
107.01412	1.1
108.45116	0.3
113.02464	0.6
117.03486	1.0
123.83033	0.3
125.02503	0.3
134.87529	0.3
137.02414	0.5
141.03525	0.3
142.74826	0.3
145.02972	0.3
151.00348	2.5
159.04503	0.9
164.17976	0.3
169.01530	0.4
169.06683	0.4
171.04539	0.4
173.02385	0.5
179.10869	0.7
182.03825	0.5
183.04520	3.4
187.04070	0.4
189.05594	0.4
197.02368	0.3
208.69693	0.3
208.98851	0.3
211.04016	2.3
213.05516	0.7
215.03595	0.4
227.03542	1.9
239.03336	0.4
255.02966	44.8
256.03363	3.9
257.04398	0.4
283.02466	100.0
284.02844	11.1
285.04034	20.2
286.04330	2.0
298.81305	0.3
303.86371	0.3
413.08557	0.9
429.08301	3.2
430.09030	36.6
431.09634	12.8
432.10156	1.5
473.10831	3.2
473.16708	0.6
474.10989	0.4
559.14471	1.3
619.16669	47.5
620.16992	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	617.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39889	0.2
61.98825	0.3
61.99673	0.2
74.76283	0.2
78.95912	0.5
82.38728	0.2
96.46030	0.2
98.20676	0.4
117.03480	22.8
118.03780	1.0
119.05048	3.9
120.05351	0.2
121.02975	0.8
123.04520	0.2
133.02913	0.3
142.55109	0.2
145.02968	94.3
146.03305	4.3
146.04413	0.3
147.04509	0.5
162.03293	0.2
163.04013	1.9
175.58414	0.2
229.08551	0.2
229.70522	0.2
232.62170	0.2
399.58121	0.2
423.32974	0.2
426.09970	0.2
439.31580	0.2
453.33630	0.5
469.32968	0.2
471.33487	0.2
497.32608	0.2
590.75116	0.2
617.38586	100.0
618.38940	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.2
59.01382	0.5
61.98824	0.3
63.02129	0.2
63.02423	0.3
65.00350	0.5
66.71370	0.1
69.49626	0.5
69.50052	0.4
71.63807	0.1
73.02943	0.1
83.01386	0.3
88.98743	0.1
89.02477	0.2
93.03494	0.5
107.01386	0.8
109.02959	0.1
115.99338	0.1
117.03471	0.8
119.05049	0.1
122.61897	0.1
123.04527	0.2
125.02459	0.9
133.03038	0.1
135.00871	0.2
137.02466	0.1
141.03484	0.1
143.05072	0.2
149.02492	0.1
149.99609	0.1
151.00371	2.3
152.00740	0.1
153.01950	0.3
154.04268	0.3
159.04529	0.9
160.98911	0.1
163.00398	0.3
165.01944	0.2
165.08698	0.1
167.05074	0.2
169.01561	0.2
169.02917	0.2
169.06613	0.7
171.04506	0.6
173.02443	0.4
173.06148	0.1
175.04033	0.2
178.99898	0.4
182.03761	0.3
183.04527	3.3
184.05000	0.2
185.02466	0.3
185.05956	0.5
187.04002	0.5
189.05542	0.5
195.04605	0.1
195.62990	0.1
197.02483	0.1
199.03998	0.4
201.05568	0.1
211.04012	2.8
212.04398	0.3
213.05540	0.9
214.02727	0.4
215.03436	0.4
217.05104	0.2
226.02794	0.2
227.03502	3.2
228.03828	0.4
229.05122	0.5
229.14427	0.2
239.03505	0.4
240.04117	0.2
241.05078	0.2
243.02982	0.3
255.02974	41.7
256.03323	4.3
257.04565	1.0
282.01642	0.3
283.02469	100.0
284.02863	12.1
285.04025	26.6
286.04391	3.0
303.05124	0.7
413.08829	0.3
430.09033	26.5
431.09711	14.5
432.10098	1.5
452.24707	0.1
473.10849	2.7
474.11374	0.6
559.14935	0.2
577.15503	0.2
619.16754	49.4
620.17096	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	617.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03443	1.0
58.00586	0.7
59.01380	13.6
61.98833	17.2
65.00312	0.4
68.85118	0.3
69.03451	0.5
71.01384	11.6
71.05045	0.4
71.30285	0.3
71.65292	0.6
72.99308	1.2
73.02955	1.9
74.92994	0.3
75.00864	0.4
78.95901	0.7
79.06172	0.3
80.02679	0.5
81.03454	0.9
83.01411	1.7
83.05032	4.1
84.02172	0.8
85.02965	3.3
87.00876	1.3
87.86572	0.3
88.98808	0.6
89.02455	9.8
93.03464	1.1
95.01389	1.0
95.05035	0.8
96.96044	1.0
96.96931	0.5
97.02940	0.8
97.06605	0.4
99.00893	1.2
100.75620	0.3
101.02457	8.6
107.01422	0.7
109.02919	0.6
111.00915	0.4
111.08191	0.3
113.02462	4.8
115.92120	0.5
116.92875	1.2
117.03425	0.4
119.03511	4.1
119.05015	2.0
121.02937	0.4
123.04533	0.5
125.02474	2.8
125.06081	0.4
125.09737	1.0
127.11319	2.4
131.03517	0.9
135.04570	1.4
135.08162	0.8
137.02425	1.8
143.03514	1.1
145.02959	1.2
149.02402	0.5
149.04550	1.1
150.03223	0.5
151.00398	4.4
151.04044	0.9
152.00728	0.9
153.09235	0.8
155.10826	0.7
161.02493	0.6
161.04610	2.1
161.05943	0.5
163.00526	0.3
163.04082	0.4
163.11331	3.4
165.01921	0.8
165.12888	1.5
171.10286	100.0
172.10635	5.7
175.03949	0.3
177.01936	0.7
179.03551	0.4
179.05635	2.0
181.12340	0.3
191.05693	0.4
191.10794	0.8
192.71513	0.3
197.97192	0.4
199.13516	0.4
201.11409	0.6
209.11835	93.7
210.12183	7.0
211.13429	0.7
213.14937	0.6
227.12895	12.2
228.13289	1.0
235.08234	3.1
253.06609	0.5
253.09268	8.0
271.06104	4.9
272.06375	1.8
273.06683	1.1
287.05649	1.3
289.07147	0.5
337.23734	0.4
407.19037	2.1
425.25476	0.5
445.20816	1.0
455.26105	1.7
555.31860	0.3
557.29858	1.0
581.29858	0.6
599.23096	0.8
617.23474	1.6
617.35632	13.4
618.36133	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	617.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.5
63.55436	0.2
74.35452	0.2
78.95921	0.5
89.03976	0.2
99.72761	0.2
117.03479	26.2
118.03790	1.1
119.05037	5.7
120.05478	0.2
121.02971	1.6
123.04531	0.5
133.02948	0.3
145.02966	98.3
146.03300	5.2
147.04523	0.4
152.99608	0.2
162.03221	0.6
163.04030	1.9
212.07150	0.2
243.76993	0.2
245.73799	0.2
439.31992	0.4
453.33618	1.2
469.33301	0.3
497.32712	0.5
555.38574	0.3
573.39465	0.4
599.37378	0.6
617.38580	100.0
618.38916	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58591	0.2
51.01080	0.2
51.47810	0.2
52.69073	0.2
57.31065	0.3
61.98822	1.0
64.90272	0.2
65.78861	0.2
71.55696	0.3
78.95894	0.5
80.25322	0.2
81.92628	0.2
82.46679	0.3
117.03477	27.1
118.03798	1.1
119.05038	7.7
119.05914	0.4
120.05392	0.4
121.02947	2.0
123.04536	0.5
127.56094	0.3
133.02965	0.6
145.02966	100.0
146.03311	5.3
152.99519	0.5
162.03177	0.5
163.04047	2.1
207.49606	0.2
423.28461	0.3
453.33713	1.4
454.33737	0.3
469.33038	0.9
497.32568	1.7
498.32605	0.4
573.39349	0.6
617.38574	99.8
618.38898	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.4
59.01374	0.5
61.98829	100.0
62.98547	0.3
65.00330	0.8
71.01385	0.3
72.96455	0.1
73.02937	0.2
83.01399	0.5
85.02994	0.2
89.02448	0.2
93.03490	0.1
101.02474	0.2
107.01404	1.7
109.02972	0.5
109.06641	0.1
113.02454	0.2
117.03464	0.2
119.05035	0.5
121.02988	0.3
123.04579	0.2
125.02464	2.1
126.02753	0.1
133.02956	0.2
133.34703	0.1
134.03755	0.2
134.28168	0.1
135.04539	6.0
136.04871	0.3
137.02449	0.4
145.02917	0.3
149.02448	0.2
150.03247	0.1
151.00388	11.1
152.00726	0.3
161.02434	0.6
165.01927	0.4
167.03578	0.2
169.01416	0.2
171.10286	0.8
175.00372	0.7
175.03981	0.1
177.02007	0.4
178.99928	0.2
193.01427	0.2
205.04865	0.2
209.11841	1.1
227.12950	0.3
259.06046	0.9
271.06064	1.4
272.06348	0.2
285.03909	0.2
287.05600	21.3
288.05887	1.8
289.07214	0.3
329.06354	0.1
417.07898	0.3
553.13403	2.8
554.14020	0.5
617.23077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.34805	0.3
69.03468	0.3
69.97428	0.3
71.02466	0.3
71.02785	0.4
78.95914	1.4
78.99247	0.3
91.40602	0.3
100.71711	0.3
152.99654	1.1
179.10855	0.9
197.11877	1.9
207.10115	0.5
208.56369	0.4
255.23274	3.1
272.08609	0.3
391.22617	0.6
553.37317	4.7
554.38080	1.3
617.34662	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47538	0.7
55.01880	0.6
55.54425	0.6
58.00578	2.1
58.66470	0.6
59.01376	37.2
61.98815	2.9
68.96262	0.7
70.58678	1.8
70.59001	0.8
71.01382	24.7
72.99298	2.1
73.02936	0.9
75.00865	0.8
78.26057	0.7
78.95895	4.4
79.55459	0.7
83.01379	1.7
83.42363	0.6
85.02958	5.4
85.06570	1.1
87.00876	1.7
88.98802	0.6
89.02444	27.7
90.02775	1.0
95.01352	1.3
96.96016	6.9
96.96950	3.3
99.00863	1.1
99.40741	0.8
101.02447	16.6
109.02940	1.1
113.02452	9.9
116.92941	0.8
119.03506	13.8
119.05021	3.0
123.04492	0.9
124.33103	0.6
125.02445	2.3
127.68354	0.8
131.03520	1.0
131.07156	3.6
137.02495	1.3
143.03574	0.8
145.02992	1.7
151.04002	1.0
153.02013	0.8
161.02435	2.0
161.08153	1.1
163.04005	3.9
167.03505	0.8
179.05624	1.0
191.05618	1.8
200.63028	0.8
289.07144	2.7
290.07394	0.9
293.12369	6.9
294.12997	0.9
309.12109	0.8
323.13455	100.0
324.13779	8.9
448.51328	0.7
475.61530	0.8
497.17743	0.8
617.21350	2.8
618.21527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.28004	0.3
59.01377	3.0
60.25623	0.2
61.98830	100.0
71.01379	1.4
71.58990	0.4
72.61525	0.3
73.02937	0.4
73.33338	0.3
76.30605	0.3
77.06435	0.3
78.95908	0.7
83.01427	0.3
83.05038	0.5
84.08080	0.3
85.02981	0.6
87.00911	0.3
89.02461	1.0
93.03483	0.6
96.96979	0.5
97.02924	0.5
101.02434	1.1
107.01431	0.3
109.02982	0.7
109.06614	0.6
113.02456	0.6
116.92870	0.5
119.03545	0.3
119.05044	0.6
121.02946	0.4
123.04555	0.6
125.02449	2.4
127.11398	0.3
135.08206	0.9
137.02464	1.3
140.01157	0.3
145.02997	0.5
149.02522	0.4
151.00423	0.7
151.04021	0.9
152.99626	0.4
161.02504	0.7
161.04552	0.5
161.05945	0.3
163.11328	1.1
164.01085	0.3
165.01950	0.7
171.10289	9.9
172.10651	1.9
177.02002	0.6
185.03716	0.3
207.10258	3.8
208.10634	1.5
209.11836	3.2
211.13385	0.8
223.13301	0.3
225.11339	1.5
226.11629	0.4
227.12909	0.5
233.00922	0.4
253.09344	0.9
255.03134	0.3
271.06195	2.1
272.06674	0.4
287.05695	0.5
455.28076	0.5
461.20291	0.5
461.31079	0.3
462.20752	0.5
598.29987	0.4
615.32257	0.4
615.41833	0.4
616.20618	0.6
616.31158	2.8
617.21973	0.3
617.31738	1.3
631.74567	0.3
643.09698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98829	100.0
62.98533	0.2
62.99270	0.1
65.00312	0.6
69.38979	0.9
71.01411	0.2
83.01413	0.4
93.03480	0.7
93.58448	0.1
97.75874	0.1
101.02494	0.1
107.01399	1.0
116.92932	0.1
117.03490	0.2
119.05039	2.4
120.05442	0.1
121.02980	0.2
125.02467	1.5
126.02815	0.1
135.04530	0.1
137.02444	0.7
145.02972	1.0
149.02396	0.2
151.00388	5.4
152.00800	0.3
161.06107	0.1
165.01967	0.4
168.00668	0.3
169.01277	0.1
171.10321	0.2
175.00392	0.5
177.01932	0.6
179.03502	0.3
185.06049	0.1
187.04022	0.2
193.01471	0.2
209.11830	0.2
213.56123	0.1
227.07318	0.2
239.05693	0.3
259.06137	0.2
260.06644	0.1
271.06100	13.3
272.06436	1.1
281.06708	2.1
282.06973	0.1
287.05835	0.2
288.06119	0.2
295.06171	0.5
313.07401	0.2
379.46985	0.1
433.07706	0.2
459.09250	0.2
553.13452	8.3
554.13965	1.6
616.23120	0.4
617.24310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.4
58.00589	0.9
59.01378	14.3
61.98831	29.5
63.02397	1.5
65.00327	7.0
69.03454	3.2
70.51204	0.5
71.01381	10.2
71.05030	0.9
71.59169	0.6
72.99300	1.3
73.02949	2.7
75.00876	0.5
78.95940	1.3
81.03458	1.2
83.01389	5.7
83.05032	2.3
85.02969	2.9
87.00891	0.7
87.04526	0.9
88.98801	2.0
89.02454	7.2
89.17003	0.5
93.03464	6.3
95.01408	1.2
95.05006	0.5
96.03068	0.5
96.96024	0.6
97.02985	1.4
97.06599	1.1
99.00887	0.9
101.02473	5.0
107.01399	11.0
108.02225	0.9
109.02972	2.3
109.06622	2.0
111.08180	10.6
113.02469	3.0
116.92900	1.2
117.03471	1.4
119.03503	2.1
119.05038	21.6
120.05386	2.0
121.02962	1.2
122.03815	0.6
123.01006	0.6
123.04563	2.9
123.85138	0.6
125.02468	13.3
126.02832	0.8
133.02989	1.0
135.04544	8.5
135.08171	1.1
135.25818	0.6
137.02460	4.4
137.09727	2.0
139.04138	0.6
145.02960	3.9
146.03693	0.6
147.11819	0.8
149.02419	1.2
149.04494	0.8
150.03281	1.1
151.00392	37.5
151.03954	2.0
152.00729	1.9
153.09233	1.4
155.10800	10.0
159.04420	0.7
160.01624	0.6
161.02458	2.2
161.04620	0.9
161.06171	1.0
162.03040	0.6
163.00316	0.9
163.04028	1.3
163.11292	1.7
164.01186	1.7
165.01939	3.0
165.12862	63.4
166.13229	4.4
167.03503	1.4
167.14458	0.6
169.01472	3.1
171.10283	5.4
174.03052	0.7
175.00336	0.8
175.04013	1.1
176.01018	0.6
177.01949	5.0
178.02243	0.7
179.14525	0.6
181.08665	0.7
181.12329	3.2
183.13911	19.6
184.14224	1.2
185.06154	0.6
187.04048	1.0
191.05551	1.1
191.10837	2.8
193.01343	0.7
197.15463	5.4
199.09773	3.4
203.07094	0.9
205.01421	0.7
205.05078	0.9
207.10301	3.8
207.13896	0.8
209.11839	10.4
211.13353	1.1
225.11363	2.8
225.14891	0.7
227.12878	6.7
229.05086	0.6
243.02965	0.7
243.06461	0.7
245.08292	0.8
251.12819	0.7
255.02953	0.9
271.06104	77.7
272.06424	10.4
273.06689	0.7
284.03223	0.7
285.03973	2.3
286.04575	0.9
287.05594	8.2
288.06033	1.0
289.07208	2.3
290.07526	0.7
313.07312	1.2
316.78873	0.6
553.13776	1.8
555.68854	0.8
579.28101	1.4
615.34027	100.0
616.34375	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	615.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49243	0.2
59.01378	0.3
61.98829	1.1
63.02397	0.8
65.00323	12.1
71.14687	0.6
79.01867	0.3
81.03461	0.2
83.01387	4.7
93.03463	0.9
95.01357	0.2
97.02935	0.4
98.76773	0.2
102.20560	0.2
103.01894	0.3
104.72844	0.2
107.01399	18.1
107.05032	0.3
108.01703	0.5
108.99298	0.4
109.02966	2.6
111.14339	0.2
117.03442	0.3
119.05024	1.9
121.02985	0.3
125.02461	4.5
126.02807	0.2
131.01408	1.2
133.03004	0.3
134.03737	1.3
135.04535	56.5
136.04872	2.9
137.02438	0.8
145.02969	1.0
145.26294	0.2
149.02454	0.3
151.00381	89.4
152.00716	4.3
161.02473	1.4
163.04120	0.3
165.01965	1.1
169.01373	1.1
175.00363	4.9
176.00763	0.4
177.01930	0.8
193.01407	1.6
205.01372	0.4
225.05600	0.2
261.07620	0.2
269.04437	0.5
271.06100	7.0
272.06564	0.6
287.05588	100.0
288.05914	10.3
289.22946	0.2
295.05844	0.2
307.08276	0.8
311.05530	0.7
329.06561	0.5
479.15585	2.2
480.16101	0.4
485.93399	0.3
579.15009	1.9
580.15491	0.6
615.21045	5.8
615.31384	0.6
616.21448	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55124	0.3
55.01886	0.5
57.03444	2.0
57.92606	0.3
58.00560	0.3
59.01373	9.7
60.01691	0.3
61.98828	89.2
62.52526	0.3
63.02407	1.7
65.00319	5.7
67.01856	0.3
69.03464	3.2
71.01379	3.6
71.31311	0.3
71.61977	0.3
71.62363	0.3
73.02956	1.7
75.00870	0.4
81.03465	1.3
83.01385	5.8
84.01715	0.4
85.02960	2.4
87.00891	0.8
87.04536	0.8
88.98817	1.3
89.02457	1.2
93.03460	5.5
95.01400	2.8
95.05019	0.5
96.96042	0.9
96.96998	0.4
97.02960	3.5
99.00906	0.4
99.04507	0.5
101.02444	2.5
105.03516	0.3
107.01400	11.1
107.02140	0.6
108.02205	1.0
109.03004	2.4
109.03646	0.4
109.06611	0.5
111.00842	0.5
113.02464	1.3
116.92889	1.5
117.03499	0.9
119.05038	23.6
120.05393	1.0
121.02975	2.9
122.03755	0.5
123.00897	7.7
123.04536	1.7
124.01680	22.6
124.14346	0.3
125.02461	70.5
126.02811	2.7
131.01376	0.4
133.02940	1.0
135.04532	4.8
136.01651	0.7
137.02454	6.2
137.09743	1.1
139.04056	1.5
139.07640	0.4
139.11302	2.4
143.05049	0.7
145.02959	4.1
149.02457	1.2
149.99597	31.8
150.03247	1.1
151.00388	47.7
151.03975	2.4
152.00702	1.9
153.01947	0.6
155.10796	4.7
159.04514	0.6
161.02446	2.4
161.04588	0.9
161.06093	1.3
162.03033	0.4
163.00398	0.5
163.04060	0.9
163.11278	0.5
164.01176	0.7
165.01929	4.3
165.05566	1.0
165.12863	1.3
166.02605	0.3
167.03532	2.2
167.10764	0.5
168.00653	62.2
169.01414	8.8
171.10243	1.8
172.05226	0.4
175.00375	0.9
175.04044	0.9
177.01958	3.9
178.02528	0.4
179.03508	1.1
179.05739	0.4
180.04262	0.6
181.01328	0.3
181.08781	0.7
181.12354	1.0
182.12738	0.6
183.10278	7.0
183.13881	3.4
185.06125	1.6
187.04004	1.9
191.03484	0.4
193.01450	0.8
195.06609	1.5
199.09737	6.9
199.11578	0.5
200.10002	0.5
201.11356	0.4
203.07217	0.8
205.01259	0.4
205.05147	0.7
207.10271	1.3
209.07993	0.3
209.11877	2.0
225.07642	0.4
225.11328	1.4
227.07126	2.1
227.12894	0.8
229.04985	0.4
241.10757	2.3
244.06953	0.5
245.08214	0.7
252.45125	0.3
253.10876	0.5
255.03131	0.4
259.06146	0.5
271.06088	81.8
272.06436	8.4
283.11884	3.7
287.05490	5.5
288.05789	0.7
289.07196	2.4
313.05557	3.9
327.10864	0.5
331.06668	4.7
343.14017	6.1
344.14355	0.5
389.21814	2.9
407.07642	0.4
449.07977	0.3
453.20340	0.4
461.20398	0.4
552.18048	0.6
553.13257	0.5
577.26917	0.6
579.28888	0.8
597.21851	0.5
614.33105	0.4
615.23083	100.0
615.33197	8.4
616.23474	20.4
616.33679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54449	0.5
58.46014	0.5
59.01376	1.3
60.48572	0.6
61.03575	0.6
61.98830	4.0
71.01374	2.0
71.13697	1.3
73.02969	0.8
76.55721	0.6
85.02950	2.3
90.23171	0.5
91.02868	0.6
91.76700	0.6
93.03456	2.2
95.01369	1.0
96.96988	1.0
101.02450	1.2
107.05009	0.7
108.02174	50.1
109.02976	17.3
113.02461	0.7
119.05006	1.6
121.02888	0.9
123.00887	1.0
123.04526	1.8
125.02470	0.9
137.02469	3.1
137.03400	0.5
151.04022	2.4
152.01158	50.0
153.01947	18.5
163.04024	1.6
165.01932	2.2
173.60574	0.6
245.08078	0.7
270.41638	0.6
277.62610	0.6
289.07141	2.5
309.11719	0.7
315.07181	100.0
316.07523	7.9
316.65527	0.6
341.06595	0.9
417.93793	0.7
615.17310	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	615.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01382	1.3
61.98829	1.5
63.02402	2.0
65.00322	6.2
70.47221	0.3
71.01360	0.4
71.36018	0.8
82.08071	0.4
83.01398	4.4
85.02947	0.4
86.15131	0.4
87.04517	1.0
93.03458	4.8
96.86643	0.3
101.02426	0.6
107.01406	11.1
107.02147	0.6
117.03473	0.5
119.05042	25.8
120.05396	1.0
125.02459	4.0
137.09766	0.5
145.02963	2.3
148.55833	0.3
151.00381	47.4
152.00745	1.8
155.10779	4.4
156.11098	0.4
161.06107	1.0
162.82408	0.3
164.01208	0.3
165.01979	1.6
169.01434	1.5
171.10205	0.5
175.00363	0.9
177.01952	4.2
179.10811	0.5
181.08635	0.5
185.06108	1.8
187.04010	1.1
188.04510	0.4
199.09758	9.6
200.10155	0.6
203.07005	0.3
209.11816	0.5
225.11211	0.4
227.07188	2.0
228.07680	0.3
229.04987	0.3
241.10791	3.4
242.11066	0.4
253.10834	0.6
255.12244	0.5
271.06097	100.0
272.03598	0.7
272.06433	10.4
272.09378	0.5
283.11865	5.4
343.13995	8.6
344.14307	1.3
423.13318	0.4
615.10913	0.4
615.20862	6.7
616.21106	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	614.174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96576	0.1
57.03441	0.1
57.31528	0.1
59.01371	0.1
61.98828	100.0
62.67569	0.1
62.98533	0.2
65.00329	0.1
69.03449	0.1
69.38474	0.8
71.01403	0.1
71.59776	0.1
81.03468	0.1
83.01406	0.2
93.03481	0.1
98.20080	0.3
104.05699	0.1
107.01418	0.2
108.48640	0.1
123.04579	0.1
125.02460	1.2
125.03307	0.1
135.00922	0.1
151.00392	0.5
152.01207	0.1
153.01912	0.2
167.03482	0.1
172.05333	0.1
173.06090	0.2
177.01933	0.1
178.99907	0.3
183.13960	0.1
201.05550	0.1
215.07162	0.3
240.66458	0.1
243.06567	0.2
252.40524	0.1
259.06088	2.6
283.06049	0.4
287.05603	1.8
301.07162	0.2
390.36166	0.1
459.78116	0.1
463.15726	0.1
554.18652	0.2
587.21130	0.8
615.21594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74611	0.1
57.03445	0.3
59.01379	2.2
61.98831	100.0
62.98531	0.2
63.02395	0.2
64.52603	0.1
65.00319	1.0
69.03476	0.1
71.01387	1.1
71.39616	0.1
71.66171	0.1
72.71789	0.1
72.99311	0.2
73.02956	0.3
78.95938	0.1
83.01402	0.8
85.02970	0.4
87.00900	0.2
87.04530	0.3
88.98841	0.2
89.02466	0.4
91.01918	0.3
93.03474	0.8
95.01414	0.1
96.96014	0.1
97.02968	0.2
99.00903	0.1
101.02444	0.4
107.01398	2.1
108.02166	0.5
109.02994	0.4
109.06606	0.1
113.02452	0.2
116.92893	0.3
117.03502	0.2
119.05043	3.6
121.02975	0.5
123.00898	0.3
123.04566	0.2
124.01703	0.4
124.02512	0.1
125.01517	0.1
125.02465	2.0
126.90514	0.2
133.03006	0.1
135.00882	0.2
135.04543	0.7
137.02483	0.7
137.09721	0.2
139.04095	0.1
139.07657	0.1
139.11307	0.3
145.02972	0.9
149.02467	0.3
149.99619	0.5
150.00760	0.1
150.03174	0.2
151.00392	7.5
151.03951	0.2
152.01189	0.4
153.01979	0.1
155.10826	0.8
161.02454	0.3
161.04684	0.1
161.06049	0.2
163.04053	0.2
163.11229	0.1
164.01266	0.1
165.01935	0.5
165.05573	0.2
167.03452	0.1
168.00674	0.9
169.01407	0.2
171.10295	0.2
175.00374	0.2
175.04044	0.1
177.01947	0.7
179.03510	0.2
179.10849	0.1
180.04306	0.1
181.12335	0.8
182.12764	0.2
183.10277	0.7
183.13934	0.1
185.06137	0.3
187.04056	0.4
195.06599	0.3
195.13969	0.3
196.14192	0.1
199.09735	1.3
209.11761	0.2
225.07739	0.1
225.11304	0.3
227.07306	0.2
229.04985	0.1
241.10802	0.4
242.02243	0.1
243.06638	1.9
244.06941	0.2
253.10910	0.2
271.06107	14.6
272.06369	0.1
283.11765	0.6
285.04080	0.1
287.05536	0.8
288.06027	0.2
331.06598	0.1
343.13953	1.0
387.10666	0.1
389.21902	0.2
425.92337	0.1
426.93262	0.1
551.17651	3.9
552.18140	0.8
566.21118	0.1
579.28491	0.1
613.32452	1.3
614.32916	2.7
614.99811	0.2
615.22534	2.0
615.33691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44909	0.3
55.01878	0.6
57.03446	4.7
58.00586	0.6
59.01377	13.3
61.98829	15.6
69.03458	0.5
69.42085	1.4
69.42506	0.8
71.01382	9.2
71.05028	0.4
72.99301	1.3
73.02946	3.1
75.00888	0.7
75.03086	0.2
81.03481	0.3
82.88586	0.2
83.01396	0.9
83.05004	0.3
84.02167	0.7
85.02957	5.0
86.03303	0.2
86.03725	1.3
87.00873	0.7
87.04531	1.3
88.98813	0.5
89.02461	2.6
91.01904	0.6
93.03480	0.5
95.01410	0.3
95.05072	0.5
96.96046	0.8
97.02960	1.2
99.00877	0.5
99.04517	0.3
101.02455	3.6
105.01920	0.3
107.01426	0.2
109.02977	0.5
109.06600	0.6
113.02449	2.1
113.06080	0.3
116.92860	0.6
117.03465	0.4
119.03490	0.7
119.05048	1.1
121.02961	0.7
121.06596	0.3
123.04528	0.7
123.08176	0.4
125.02462	1.4
125.06085	0.6
127.07666	0.4
129.33580	0.3
133.02945	0.4
135.04535	0.7
137.02444	0.7
137.06091	0.3
137.09744	0.6
139.11276	0.3
145.02983	1.4
149.02443	0.2
149.09766	0.4
150.03204	0.4
151.00391	1.1
151.04018	0.4
153.01944	0.5
155.10779	1.0
161.02361	0.4
161.04562	0.4
163.04001	0.7
163.11302	2.7
165.05598	0.8
167.10793	0.3
167.14375	0.3
175.03958	0.4
177.12857	1.7
178.99858	0.4
181.12354	30.4
182.12633	2.2
183.10286	1.2
187.07568	0.3
187.11462	0.3
191.05560	0.5
193.12387	0.4
195.06624	0.4
195.13904	15.7
196.14156	1.1
197.11787	0.3
199.09677	0.3
207.10226	0.7
207.13872	0.4
209.11749	0.3
210.96173	0.3
217.04840	0.3
223.13412	3.7
225.07687	0.3
225.11319	5.6
226.11697	0.4
235.13391	0.3
239.12830	0.4
253.14415	0.3
267.12378	1.2
271.06070	1.0
272.06497	0.3
273.06824	0.3
285.04199	0.5
287.05527	0.4
308.08554	0.3
327.14420	0.3
378.96127	0.3
433.16422	0.4
517.37244	0.3
577.26721	0.6
595.30750	0.3
613.32416	100.0
614.32776	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68375	0.5
55.01885	0.7
57.03432	1.5
59.01094	0.9
59.01375	8.5
61.98824	1.4
65.20216	0.4
67.01868	0.6
68.99815	0.8
69.03452	1.0
69.66899	1.1
69.67290	3.1
71.01384	9.9
72.99311	4.8
73.02948	3.1
75.00871	10.8
83.01379	0.8
85.02953	9.0
87.00880	4.1
88.98806	2.2
89.02468	2.6
93.03480	1.2
95.01398	2.4
99.00893	7.0
101.02475	0.7
103.00360	1.1
106.39207	0.6
109.02943	1.6
111.00861	0.9
113.02455	9.0
114.99423	0.4
115.00372	1.6
116.92953	0.6
117.01948	1.2
121.02930	0.5
129.01920	0.9
135.08186	0.7
137.02386	0.6
137.09727	5.7
145.02985	0.5
149.02431	0.7
155.10796	62.8
156.11151	3.9
157.01443	1.1
161.04510	0.6
165.05562	0.6
175.02469	1.0
177.01927	1.0
181.07253	0.5
181.08727	1.4
189.01868	1.4
189.04012	0.5
195.78798	0.6
199.09763	20.0
200.10097	1.5
217.01527	1.0
231.05118	1.0
249.06145	7.3
273.13452	4.7
283.10300	0.5
341.06689	2.0
387.16455	1.8
431.15579	1.1
449.16571	7.1
450.16943	1.1
451.10330	1.8
451.17053	1.0
504.60410	0.5
529.23401	0.6
555.17499	0.9
595.22217	1.4
613.23608	100.0
614.23981	18.4
614.32251	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
57.03435	1.5
58.00594	0.5
59.01374	12.3
61.98832	3.1
66.56674	0.3
67.01883	0.8
68.99817	0.9
69.03452	0.9
69.95438	0.9
69.95843	1.7
71.01379	12.3
72.99313	4.7
73.02940	3.0
75.00873	15.1
78.41461	0.4
78.79711	0.4
78.95911	0.5
83.01390	1.2
83.05058	0.3
85.02953	10.6
87.00878	4.7
87.01376	0.6
88.98785	0.9
89.02435	4.1
91.04010	0.4
93.03460	0.9
94.71729	0.3
94.93325	0.3
95.01388	2.6
96.05445	0.4
97.02954	0.5
98.19833	0.4
99.00884	7.1
99.04567	0.4
101.02428	2.3
103.00367	0.9
105.01976	0.5
109.02934	1.0
111.00883	1.0
113.02457	11.0
114.02706	0.4
115.00369	1.4
116.92854	1.0
117.01926	1.3
117.03497	0.5
119.03523	1.1
119.05003	0.6
123.04500	0.4
125.02435	0.8
126.57839	0.4
129.01979	1.7
135.08179	0.7
137.02455	1.1
137.09735	5.3
139.03874	0.4
145.02953	1.3
155.10789	68.9
156.11113	3.8
157.01453	1.0
161.02357	0.5
161.04549	0.5
173.04552	0.5
175.02507	1.1
177.02037	0.4
177.03992	0.7
179.05534	0.4
181.07230	0.8
181.08708	1.6
183.10257	0.5
189.03973	0.5
191.05669	1.1
195.05116	2.1
195.06764	0.4
199.09755	21.8
200.10100	1.0
225.07732	0.8
231.04974	0.6
241.21338	0.3
249.06125	7.8
250.06627	0.6
267.07269	0.6
273.13412	4.5
274.13962	0.4
319.14124	0.6
341.06464	0.6
363.16577	0.8
387.16519	2.5
421.16943	0.5
426.66858	0.4
431.15765	1.0
449.16492	7.1
450.16974	1.3
451.10938	0.9
451.17017	0.7
557.81152	0.5
569.20898	1.0
595.22577	1.7
595.31946	0.5
613.23621	100.0
613.33789	9.1
614.23981	17.8
614.33813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27827	0.6
59.01363	2.1
61.67926	0.6
61.98827	1.9
78.95922	0.5
99.92590	33.7
100.92622	1.8
100.93372	2.2
115.92087	80.5
116.92156	5.5
116.92867	100.0
117.92905	5.6
117.93600	1.0
132.92317	0.8
162.99402	0.7
405.31802	1.6
505.24127	1.4
520.22809	1.6
521.22614	0.7
523.25397	1.4
535.25195	4.8
536.25952	3.6
537.26227	1.1
553.26422	5.6
554.26617	1.9
569.29333	0.8
583.27087	6.4
584.27515	1.2
595.27905	1.0
613.28497	74.7
614.28754	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	613.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.5
57.03433	1.5
59.01373	8.3
61.41026	0.3
61.98817	2.1
65.36207	0.3
67.01900	0.4
68.99822	0.6
69.03444	1.0
69.99077	1.9
71.01382	10.8
72.99314	4.1
73.02950	3.2
75.00877	10.2
77.09953	0.3
77.55983	0.4
77.80615	0.4
83.01395	0.8
85.02953	11.6
87.00879	4.0
87.36344	0.4
89.02452	2.6
93.03441	0.6
95.01390	2.7
97.03013	0.4
99.00890	7.8
101.02456	1.3
101.87790	0.3
103.00403	0.8
109.02934	0.6
110.29800	0.4
111.00874	0.7
113.02457	10.7
114.02766	0.5
115.00374	1.6
117.01976	1.3
121.02975	0.6
125.02463	0.7
129.01970	1.9
135.08157	0.8
137.02446	0.5
137.09723	5.9
138.10060	0.3
145.02980	0.6
153.01886	0.4
155.10791	71.2
156.11108	3.8
156.65428	0.4
157.01428	1.0
173.04617	0.5
175.02481	1.6
177.01891	0.5
177.04074	0.6
181.07294	0.7
181.08720	1.5
189.01834	0.4
191.05602	0.7
191.69209	0.4
195.05086	2.5
199.09761	20.7
200.10106	1.6
217.56683	0.4
231.05107	0.8
249.06128	9.0
255.12006	0.4
263.03860	0.4
267.07202	0.7
273.13397	6.0
274.13821	0.5
290.62012	0.4
358.91748	0.4
363.16434	0.6
387.16586	2.3
389.14285	0.6
397.34232	0.4
405.18097	0.4
431.15524	1.5
449.16614	11.3
450.17038	1.1
512.11249	0.4
549.15784	0.4
595.22296	0.8
613.23627	100.0
614.24023	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	613.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93256	0.4
57.03441	1.4
59.01377	7.3
61.98827	1.7
67.01887	0.7
68.99838	0.4
71.01385	10.2
71.56625	0.6
72.99307	4.0
73.02946	3.1
75.00877	9.7
81.03439	0.5
83.01390	0.7
85.02956	11.8
87.00885	4.4
88.98803	0.7
89.02448	2.6
93.03475	0.9
95.01393	2.4
97.02957	0.6
99.00890	8.2
101.02444	1.2
103.00389	1.0
109.02943	0.8
111.00894	1.1
113.02470	9.8
115.00366	1.3
115.03954	0.4
117.01917	1.0
119.03503	0.5
121.02985	0.7
125.02451	0.7
129.01979	1.8
131.03578	0.6
135.08185	1.2
137.02457	1.0
137.09750	6.8
139.00371	0.6
142.54559	0.4
145.03000	0.6
149.04561	0.5
153.01981	0.5
155.10797	68.3
156.11110	4.0
157.01361	0.8
163.04128	0.4
173.04634	0.4
175.02496	1.4
177.04021	0.5
181.07184	1.1
181.08707	1.6
195.05083	2.5
195.06680	0.4
196.05637	0.4
199.09766	19.7
200.10071	1.4
223.93959	0.5
231.05150	0.7
235.25433	0.4
249.06145	6.6
250.06380	0.5
262.80508	0.5
263.04208	0.5
267.07263	0.6
273.13419	5.3
289.07294	0.5
315.34604	0.4
341.06631	0.4
363.16708	0.6
387.16718	2.2
405.17661	0.6
431.15543	1.7
449.16656	11.4
450.17010	1.2
451.09924	0.4
509.18356	0.4
595.22449	1.2
613.23633	100.0
614.23987	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	613.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.98841	1.1
64.04093	0.2
65.93176	0.2
66.35868	0.2
69.41580	1.6
71.01392	1.2
73.02953	0.5
75.00820	0.2
83.01393	0.5
85.02947	0.5
86.08235	0.2
87.00866	0.8
89.02457	0.9
93.03445	0.2
97.02918	0.2
99.00900	0.2
101.02457	0.8
113.02469	0.9
117.03479	28.1
118.03790	1.4
119.03571	0.3
119.05042	4.2
120.05345	0.2
120.72166	0.1
125.02451	0.2
135.04539	0.4
137.02467	0.2
145.02968	100.0
146.03307	5.4
150.03215	0.2
151.00360	0.4
161.04565	0.4
163.04031	7.5
164.04388	0.3
173.05975	0.2
205.05107	0.2
217.04977	0.3
285.03830	0.2
307.08212	1.4
323.09848	0.3
341.10934	1.1
383.11975	0.6
425.12872	0.3
511.14737	0.3
529.15540	0.7
553.15497	3.0
554.15631	0.8
571.16675	3.0
572.17041	0.6
613.17828	11.7
614.18195	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	613.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96074	0.2
59.01098	0.3
59.01378	4.5
61.98829	2.7
69.54575	1.8
71.01381	1.4
73.02960	1.0
75.00869	0.4
77.93726	0.2
83.01388	0.6
85.02952	0.6
87.00880	0.7
89.02467	0.6
90.18143	0.2
99.00851	0.2
101.02459	0.9
109.02973	1.3
109.90677	0.3
113.02432	1.4
117.03481	28.2
118.03796	1.4
119.03551	0.3
119.05029	3.5
123.04472	0.2
125.02454	0.3
131.03464	0.3
137.02446	0.2
143.03500	0.4
145.02969	100.0
146.03310	5.8
161.02463	0.9
161.04631	0.3
163.04016	5.7
164.04330	0.3
177.01910	0.8
179.05598	0.4
187.04012	0.3
189.01941	1.3
190.02556	0.3
191.03546	0.5
205.05084	0.3
217.01530	1.0
219.03052	0.3
231.02969	0.3
304.51605	0.2
307.08231	0.9
341.06656	1.9
341.10904	0.6
349.09305	0.5
383.12109	1.0
418.48349	0.2
425.13040	0.9
451.10263	2.5
452.10458	0.4
511.14517	0.5
529.15497	0.4
553.15485	2.2
554.16309	0.3
571.16650	3.0
572.17279	0.5
613.17816	10.2
613.27832	0.9
614.18378	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	613.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15803	0.2
57.03450	0.4
59.01381	1.9
61.98830	5.7
63.02402	2.2
65.00329	6.2
66.00656	0.2
70.39657	0.6
71.01395	0.9
73.02955	0.4
75.17389	0.2
81.03451	0.5
83.01393	4.8
83.05032	0.3
85.02955	0.6
88.98803	0.3
89.02475	0.5
93.03470	6.0
96.96027	0.3
97.02992	0.6
97.06626	0.3
98.20654	0.2
101.02483	0.8
102.29451	0.2
106.43182	0.2
107.01407	11.5
108.01650	0.2
108.99351	0.2
109.02997	0.6
113.02460	0.6
116.92896	0.4
117.03515	0.8
119.05045	28.6
120.05373	1.6
121.02944	0.6
123.04580	0.4
125.02460	4.5
131.01425	0.3
133.03015	0.3
135.08206	0.7
136.01610	0.4
137.02458	2.4
141.05566	0.2
142.42830	0.2
143.05031	0.7
145.02974	2.9
146.03317	0.2
147.04556	0.6
149.02470	0.5
149.09833	0.3
151.00391	44.7
152.00697	2.0
153.09225	4.0
159.08182	0.4
161.02428	0.3
161.06073	1.3
165.01947	2.2
167.03661	0.2
169.01466	1.5
175.00436	1.1
175.07666	0.2
175.11217	0.2
177.01950	4.0
177.09247	1.3
178.02354	0.3
179.03568	1.4
179.07147	0.3
185.06102	1.4
185.11868	0.6
187.03999	1.9
193.01463	0.4
193.08739	0.6
195.10376	0.5
197.08208	2.4
203.07191	0.2
209.11864	0.6
219.10266	0.3
221.08223	1.7
227.07140	2.5
229.05116	0.6
239.05675	1.4
239.09267	1.8
253.10779	0.9
255.03172	0.3
271.06100	100.0
272.06448	9.8
281.10226	2.1
285.04095	0.4
295.06134	0.8
299.07776	0.5
313.07156	0.9
335.67487	0.2
341.12405	6.8
342.12759	0.9
467.15497	0.3
521.62915	0.2
529.53717	0.2
569.20435	0.7
613.19391	8.7
613.31335	1.0
614.19525	2.1
637.44800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24221	0.1
54.15208	0.1
55.24881	0.1
57.03442	0.4
59.01380	6.1
61.98832	16.7
65.00317	0.2
69.33848	1.2
69.34256	0.3
71.01387	2.6
72.99305	0.3
73.02956	0.8
75.00865	0.7
78.95905	0.2
83.01391	1.0
85.02953	1.1
87.00892	0.8
88.98812	0.7
89.02449	1.5
89.03976	0.2
93.03461	1.2
94.95837	0.1
95.01387	0.3
95.48451	0.1
96.96014	0.4
96.99994	0.1
97.02939	0.4
98.19906	0.3
99.00906	0.3
99.92627	0.2
101.02460	1.6
107.01355	0.3
108.44345	0.1
109.02959	0.5
111.00878	0.2
113.02467	2.1
116.92896	0.4
117.03481	28.9
118.03800	1.3
119.03535	0.6
119.05042	6.2
120.05376	0.3
121.02956	0.4
123.00914	0.2
123.04519	0.2
124.01698	0.2
125.02454	1.4
129.01949	0.2
130.08702	0.1
133.02980	0.2
133.06609	0.2
135.04559	0.8
137.02466	1.6
137.09752	0.2
141.01941	0.2
143.03552	0.4
143.04944	0.2
145.02971	100.0
146.03299	5.6
147.04601	0.2
149.02461	0.3
149.04695	0.2
150.03238	0.7
151.00389	1.5
151.03944	0.2
152.01015	0.2
153.01938	0.3
155.10747	0.4
161.02484	0.9
161.04599	0.6
161.05992	0.3
163.04031	6.1
163.05396	0.3
164.04366	0.3
165.01891	0.3
165.05580	1.0
166.99936	0.2
171.04428	0.1
173.04578	0.5
173.06030	0.2
175.04060	0.4
177.01939	0.3
177.04028	0.1
178.99931	0.4
179.05687	0.4
180.04262	0.1
191.05589	0.5
191.07123	0.3
193.01450	0.2
195.05052	0.3
195.06700	0.6
198.76469	0.1
199.09775	0.3
205.05063	0.4
217.05017	0.3
225.07782	0.2
229.05042	0.2
230.45990	0.1
235.06210	0.2
244.22934	0.2
269.04532	0.3
271.06155	0.6
285.03897	0.3
287.05759	0.4
289.07382	0.3
307.08276	2.5
308.08527	0.2
323.09961	0.2
329.93677	0.2
341.10870	1.5
383.11963	0.7
417.15347	0.2
425.13065	0.3
451.09143	0.3
511.14560	0.4
529.15692	1.4
551.08588	0.2
551.25153	0.2
553.16125	0.4
553.30133	0.3
559.14795	0.4
565.20880	0.2
571.16766	4.3
572.17621	0.7
577.15546	0.8
613.18060	13.7
614.18262	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	612.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01375	5.0
60.99302	0.3
61.98826	100.0
62.30723	0.1
62.98543	0.2
65.00318	0.3
69.03457	0.2
71.01382	2.0
71.59406	0.3
72.99324	0.3
73.02952	0.7
75.00864	1.2
81.03476	0.2
83.01396	0.9
85.02956	1.2
87.00887	1.0
88.98811	1.6
89.02445	1.1
93.03462	1.6
95.01388	0.3
96.96017	0.3
97.02979	0.2
99.00900	0.4
99.04490	0.2
99.92609	0.2
101.02459	1.6
107.01398	0.6
108.02195	0.3
109.02973	0.6
111.00928	0.1
111.04549	0.1
113.02447	1.0
116.92856	0.3
117.03474	11.8
119.03536	0.3
119.05021	2.1
120.78671	0.1
121.02974	0.5
121.77001	0.1
122.03757	0.4
123.00912	0.3
123.04521	0.3
125.02469	1.8
126.02810	0.4
129.01927	0.1
131.03543	0.2
133.02997	0.8
134.03745	0.2
135.04558	0.7
135.05574	0.1
137.02463	1.3
139.04034	0.2
143.03517	0.2
145.02963	44.5
146.03349	0.2
149.02457	0.9
149.04616	0.2
150.03235	2.1
151.00374	2.3
151.04021	0.5
152.01088	0.3
152.04449	0.2
153.01973	0.7
154.02289	0.2
155.10806	0.3
159.02948	0.2
159.04672	0.1
159.98856	0.1
160.01660	0.4
161.02470	1.7
161.04512	0.6
162.02896	0.4
163.04042	1.3
164.04758	0.1
165.01939	0.3
165.05574	2.3
166.02722	0.3
169.01366	0.2
173.04558	0.7
173.05972	0.2
175.00453	0.2
175.03963	0.6
177.01920	0.8
177.04019	0.3
178.02362	0.3
178.99875	0.4
179.03429	0.3
179.05659	0.3
179.10793	0.2
180.04233	0.2
181.05072	0.4
189.01942	0.1
191.05612	0.5
193.05072	0.3
195.05031	0.7
195.06644	1.7
199.09798	0.2
203.03189	0.1
205.04999	0.2
211.07649	0.3
217.04965	0.2
222.98979	0.1
225.11414	0.1
253.09235	0.3
255.02896	0.2
259.06219	0.2
269.04620	0.1
271.06070	2.9
272.06296	0.2
275.05725	0.2
276.05966	0.2
285.04059	1.0
286.04416	0.4
287.05579	1.3
289.07242	0.2
299.07770	0.1
303.05063	0.5
304.05392	0.4
307.08173	1.4
341.11136	0.2
375.27350	0.4
383.12027	0.7
391.26416	0.1
417.15497	0.3
425.13004	0.4
450.12836	0.3
529.15460	0.2
531.21088	0.2
549.15985	0.3
549.23108	1.5
550.23706	0.2
552.27069	0.3
553.15796	0.3
553.29944	1.1
565.20844	0.4
571.16840	1.0
577.22888	0.4
611.36481	0.3
612.29199	0.2
612.37299	0.3
613.17755	3.0
613.26392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89930	0.3
57.03422	0.5
59.01381	6.9
61.98831	100.0
62.98551	0.4
69.51699	0.3
71.01385	3.3
71.66164	0.5
72.99319	1.3
73.02961	1.6
74.96934	0.4
75.00877	3.3
83.01395	0.9
83.16386	0.3
85.02971	2.2
87.00897	1.3
88.98311	0.3
88.98830	1.5
89.02444	1.9
91.35851	0.4
93.03471	1.0
95.01392	0.4
97.03042	0.4
99.00909	1.2
101.02496	1.6
102.48393	0.4
107.01386	0.5
108.02176	0.4
108.21983	0.4
109.03008	1.7
113.02473	1.7
116.92914	0.5
117.03486	7.1
117.04265	0.6
119.03577	0.6
119.05091	1.8
123.04558	1.1
123.13642	0.4
125.02486	2.2
127.86637	0.4
129.01990	0.6
133.02959	0.5
135.04568	1.4
137.02480	2.2
137.09753	0.4
145.02979	24.1
149.02501	1.1
150.03160	0.4
151.00409	0.8
151.04022	0.9
153.02014	0.9
155.10849	0.8
156.85179	0.3
159.04524	0.5
161.02448	2.7
163.00450	0.5
163.04042	2.8
165.02013	1.1
165.04120	1.0
165.05591	0.8
177.01965	0.6
177.04057	1.1
179.03571	1.6
179.05595	0.4
185.06157	0.5
187.04167	0.5
191.05666	0.5
203.07306	0.5
205.05095	1.0
207.27139	0.4
211.13535	0.4
227.03502	10.6
228.03925	0.9
229.05144	0.9
251.05676	0.7
255.02971	18.2
256.03485	2.3
281.06802	0.8
283.02478	0.6
284.03262	33.4
285.03845	8.0
286.04462	1.0
289.07288	0.5
341.08939	0.7
359.15198	0.6
376.48010	0.4
434.23993	0.5
451.14438	2.3
465.26831	0.5
473.16672	0.5
549.12390	43.0
550.12689	6.9
550.20264	0.5
553.14777	0.5
571.17004	0.7
611.35840	0.5
612.28546	1.4
613.18787	7.2
613.27917	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	611.3456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60688	0.4
57.03434	2.9
58.00600	0.6
58.90093	0.4
59.01377	97.8
60.01718	1.6
60.99290	0.7
61.56885	0.4
61.98827	11.4
65.00332	1.1
67.01932	0.6
71.01378	9.3
71.59347	0.8
71.85201	0.4
72.99300	2.7
73.02954	2.4
75.00877	11.6
81.03478	1.0
82.90517	0.4
83.01408	1.8
83.05040	0.7
83.88302	0.4
85.02957	7.1
87.00886	3.4
87.04542	1.3
88.98817	1.8
89.02435	2.8
93.03473	1.2
95.01392	1.4
96.34927	0.5
97.02946	1.0
99.00917	2.7
99.04556	0.6
101.02477	2.8
107.01421	1.5
107.05019	0.4
108.02142	0.6
109.02980	1.5
111.00867	0.9
113.02470	3.7
115.00382	0.9
116.92870	1.2
117.03391	0.5
119.03529	0.8
119.05029	0.8
121.03011	1.1
121.06577	0.6
123.04551	1.1
123.85891	0.6
125.02462	2.9
129.01939	1.5
131.03508	1.1
135.04549	5.3
135.08203	0.9
137.02472	2.0
137.09760	1.5
139.11319	1.7
143.03554	1.0
145.02975	1.9
146.03296	0.7
147.04498	0.5
149.02475	0.5
150.03249	0.6
151.00395	8.2
151.04037	0.7
152.00763	0.5
153.01949	0.4
153.09216	0.6
155.10793	13.2
156.11063	0.7
161.02390	0.7
161.04602	2.3
163.04012	1.0
164.01271	0.4
164.04761	0.5
165.01962	1.6
175.02428	0.5
177.01984	0.5
177.04074	2.8
178.87509	0.4
178.99899	0.6
179.03481	0.9
179.05611	0.7
181.05162	0.6
181.07182	0.5
181.12347	0.5
183.10243	1.5
191.05659	1.4
193.01476	0.7
195.05081	1.6
195.06638	1.0
199.09755	4.5
208.03889	0.5
209.04536	0.7
209.08124	0.5
223.06145	2.1
224.36234	0.5
225.07639	0.8
229.93066	0.6
235.35181	0.6
243.12401	0.6
249.06044	2.6
255.02919	0.5
256.03351	0.8
267.07111	0.6
269.04498	0.7
271.02444	1.6
272.03061	0.6
273.03342	0.9
273.13480	0.7
273.18475	1.0
281.06558	0.5
285.03958	2.1
287.05573	4.3
288.06174	0.7
289.07086	1.2
299.01984	1.0
300.02765	1.9
301.03098	1.2
302.03384	1.7
367.22961	1.2
377.14584	1.8
409.27530	0.5
419.32983	0.5
427.28555	1.5
439.28616	2.6
440.28629	0.6
449.10776	2.5
449.16501	1.5
450.10699	0.7
463.17865	0.6
471.27582	0.9
485.29333	0.9
486.26144	0.6
489.28464	8.0
490.29025	1.5
493.19116	5.7
494.19678	1.3
495.17477	1.4
501.28610	13.2
501.35947	0.6
502.28735	2.6
503.30081	2.8
519.29645	7.4
520.29962	1.6
531.29889	1.1
535.18951	0.5
547.28436	0.6
551.32190	100.0
552.32544	21.5
552.41187	0.6
573.17529	1.0
575.11951	0.8
584.72772	0.5
593.20508	2.1
594.20453	0.6
595.31329	1.6
611.22198	23.2
611.34174	22.8
612.22321	6.1
612.34344	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	611.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03454	6.0
57.98216	0.9
58.00589	0.9
59.01097	1.3
59.01376	24.2
61.98825	15.2
67.01891	1.6
68.99812	2.0
69.03444	2.2
69.27587	7.9
69.43732	0.8
71.01377	24.1
72.99316	9.7
73.02948	6.0
75.00873	28.1
81.03455	2.1
83.01389	2.8
85.02954	22.0
87.00868	9.8
87.04510	1.9
88.98818	1.3
89.02451	7.6
93.03440	3.8
95.01384	4.7
96.95999	1.3
97.02963	2.1
98.20664	1.9
99.00885	33.5
99.04520	2.0
99.92575	1.3
101.02457	7.9
103.00366	2.5
103.78067	0.9
107.01408	1.6
109.02939	3.8
109.06638	0.9
111.00866	3.6
111.04546	1.3
113.01707	1.6
113.02453	22.3
114.83414	0.7
115.00374	2.4
116.92085	1.1
116.92870	13.3
117.01944	4.2
118.98087	0.9
119.03506	2.6
119.05006	1.1
121.02965	2.9
123.04513	1.3
125.02422	4.2
129.01933	3.8
131.03535	1.0
135.03056	2.2
135.04549	8.8
135.08125	2.1
137.02460	2.9
137.09721	11.2
139.00391	2.1
139.11307	1.5
141.01950	1.3
145.02908	1.0
149.02493	1.2
151.00386	13.0
151.03998	1.7
153.01897	1.6
153.09233	4.1
155.10789	95.3
155.57603	0.9
156.11124	6.3
157.01431	3.8
161.00926	0.9
161.04535	2.4
163.00317	0.9
163.04001	1.3
165.01904	1.4
173.04553	2.0
175.02480	2.2
175.03981	1.4
177.04065	4.8
179.05647	1.4
181.07166	2.3
181.08713	2.4
181.12323	1.4
183.10190	2.0
191.05551	2.0
193.04971	1.3
195.05077	1.9
195.06671	1.4
199.09764	30.4
200.10086	1.4
213.11304	1.2
223.06169	1.3
231.05156	2.1
241.10812	2.4
249.06133	17.8
250.06502	1.0
267.06976	1.6
270.01566	1.0
271.02301	2.3
273.13397	9.7
281.88400	0.9
285.03848	1.0
285.16974	3.3
287.01956	3.3
287.05518	10.0
288.06061	1.5
289.07172	1.0
316.02115	5.3
317.02728	1.9
343.12384	3.7
377.14667	1.0
387.16641	1.4
431.09531	1.5
431.15482	31.8
431.21072	1.9
432.15808	5.6
449.06235	5.3
449.11285	4.9
449.16577	100.0
450.11441	1.4
450.16956	14.7
491.17618	4.8
492.17877	1.0
493.19226	10.7
551.19635	4.2
551.26910	2.2
593.21143	2.0
611.22021	75.6
611.31451	4.0
612.22345	20.8
612.32446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59864	0.3
57.03450	0.7
59.01374	6.9
60.99283	0.4
61.98829	100.0
63.67802	0.3
69.03461	0.7
69.34291	3.2
69.34698	0.5
71.01384	3.0
72.99322	0.9
73.02957	1.4
75.00877	3.1
78.95912	0.4
83.01411	1.3
85.02965	1.9
87.00894	1.6
87.31487	0.3
88.98830	1.5
89.02443	1.8
93.03478	1.1
94.03900	0.3
95.01419	0.7
97.02981	0.6
97.06724	0.3
99.00895	0.8
101.02457	2.2
108.02197	0.8
109.02976	2.6
110.63271	0.3
111.00945	0.5
113.02485	2.1
115.00404	0.6
117.03483	7.9
117.04258	0.6
119.03607	0.4
119.05043	2.0
121.02962	0.7
122.03712	0.7
123.00869	0.5
123.04550	1.3
125.02450	3.2
129.01968	0.6
133.01408	0.4
133.02974	0.7
134.03801	0.4
135.00945	0.8
135.04570	1.5
136.04918	0.4
137.02507	2.0
139.04054	0.4
139.11307	0.4
144.13631	0.5
145.02969	29.7
149.02467	0.9
149.06110	0.5
151.00383	1.0
151.04018	0.9
152.01199	0.6
153.01982	1.4
155.10834	0.9
159.04552	0.6
161.02461	3.2
161.04720	0.3
161.06116	0.7
162.03006	0.5
163.00409	0.6
163.04047	2.8
164.01144	0.5
165.01964	1.6
165.04097	1.6
165.05414	0.5
167.03651	0.4
168.00719	0.6
169.01361	0.4
175.04092	0.6
177.01959	0.5
177.04051	1.2
177.05487	0.6
178.02744	0.4
178.04251	0.4
178.99908	1.0
179.03499	1.8
179.10789	0.5
181.07263	0.6
187.04105	0.6
191.03503	0.4
191.05719	1.1
195.05077	0.5
201.11371	0.6
203.07150	0.5
205.05151	1.3
227.03510	11.2
228.03929	1.0
229.05089	0.9
241.05037	0.4
245.08243	0.7
251.05583	0.7
255.02977	19.1
256.03494	1.9
281.06824	0.9
283.02701	0.5
284.03253	34.0
285.03873	8.0
286.04547	0.7
289.07281	1.2
299.09406	0.5
332.99704	0.3
341.09045	1.1
349.09241	0.4
363.20038	0.4
434.23889	0.7
447.09723	0.8
451.13986	2.9
473.16809	0.8
549.12396	40.3
550.12714	6.8
550.20270	0.6
552.31860	0.4
553.15967	1.0
571.16986	1.2
611.36139	0.4
612.22302	1.2
612.30359	2.1
613.18390	8.7
613.27081	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	611.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17838	0.2
51.42442	0.3
51.86854	0.2
55.90974	0.3
57.03430	0.3
58.13143	0.3
59.01377	100.0
60.01712	1.5
61.98830	7.0
62.30709	0.3
64.49101	0.3
71.01381	3.0
71.64398	0.4
72.99320	0.8
73.02954	0.7
74.33389	0.3
75.00886	2.6
83.78814	0.3
85.02977	1.7
87.00883	0.6
88.98818	0.8
89.02469	1.0
91.01929	0.3
93.03471	0.6
95.01415	0.5
99.00880	0.7
101.02424	1.6
105.01983	0.4
113.02462	1.6
119.05040	0.4
121.03003	0.6
125.02481	0.7
129.01947	0.5
137.02513	0.7
137.09758	0.5
145.02998	1.3
149.02438	0.6
155.10791	3.4
156.11188	0.5
160.01598	0.4
161.04651	0.5
177.01961	1.2
177.04134	0.9
190.02800	0.5
191.05687	0.5
195.05014	0.3
199.09787	1.3
205.05219	0.4
210.41426	0.3
215.96407	0.3
221.06660	0.5
222.05164	0.3
223.06131	0.5
225.25157	0.3
225.33888	0.3
249.06097	0.4
267.07220	0.5
270.09033	0.4
273.11676	0.4
285.04218	0.3
285.11526	0.9
285.17059	0.5
286.08676	0.4
297.04169	0.3
298.08502	0.5
299.09314	0.7
310.08417	0.3
311.09219	0.5
314.08020	0.9
325.10709	0.5
326.07736	0.4
326.11401	0.4
329.10306	2.2
341.10364	3.4
341.14096	0.4
342.10828	0.5
344.12604	5.0
345.13068	0.6
356.12686	1.8
357.13177	0.4
359.14981	18.5
360.15335	2.3
371.15005	11.5
372.15250	1.6
387.16583	0.5
389.16742	0.5
447.18707	0.7
573.17261	0.5
611.25391	5.5
612.25647	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97750	1.9
55.01876	1.8
57.03436	4.6
58.00587	4.0
59.01376	91.2
60.01717	2.3
60.99297	7.2
61.98827	45.6
67.90742	1.9
69.03448	5.7
69.36075	18.2
71.01381	84.2
71.19227	1.7
72.01730	2.1
72.99297	6.6
73.02948	11.2
75.00863	18.3
81.03438	1.9
82.07559	1.8
83.01399	10.2
85.02960	19.8
87.00870	12.5
88.98811	55.2
89.02447	85.4
91.08360	1.6
93.03465	73.0
94.03839	2.6
95.01384	6.2
97.02961	7.1
99.00906	3.9
101.02444	54.7
106.65109	1.9
107.01354	3.8
107.05029	4.4
108.02163	2.0
109.02998	3.6
111.00901	2.6
113.02448	31.6
117.03414	2.1
119.03512	40.1
119.05004	6.2
121.02962	100.0
121.29549	2.0
122.03297	6.3
123.04545	2.4
125.02457	47.6
131.03505	8.6
131.05063	1.9
133.02975	3.6
135.04559	14.4
137.02454	74.4
137.03511	3.8
138.02783	3.4
139.03999	2.6
140.83827	2.1
143.03503	14.6
145.02980	4.2
149.02406	2.5
149.04558	3.5
151.00368	16.6
151.04015	7.7
152.01117	1.8
161.02457	16.1
161.04533	10.9
161.05740	1.7
161.09624	2.6
162.02788	3.2
163.03999	3.5
165.01831	3.5
177.01949	9.8
179.03452	7.5
179.05603	26.9
179.10805	3.9
192.04201	4.2
195.06767	4.4
197.06076	7.9
199.07660	4.0
199.09830	2.3
203.10802	2.6
207.06723	2.3
221.06619	22.9
227.07121	47.3
228.07390	2.2
263.07684	11.2
271.06140	3.4
281.06647	4.5
285.03967	4.3
286.04547	2.2
287.05292	5.8
323.09894	67.2
324.10342	3.3
413.21738	6.3
443.11819	35.2
444.12283	4.7
445.13351	5.7
476.26550	2.1
507.27133	2.5
548.22052	2.5
611.13501	10.2
611.22668	4.6
611.28882	2.3
611.37372	15.5
612.23157	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	1.3
59.01377	27.5
65.00773	1.1
71.01386	17.5
71.60661	1.5
72.99315	2.4
73.02925	2.2
75.00829	1.1
83.01369	1.1
83.61104	1.0
85.02946	5.1
87.54172	1.0
89.02450	19.1
90.02785	1.0
93.03455	1.6
95.01373	2.1
96.96021	1.7
96.96992	1.5
101.02436	13.5
108.02186	49.1
109.03003	15.5
113.02426	8.2
119.03529	8.3
119.04999	2.0
121.02952	1.4
123.04512	1.2
137.02408	1.8
151.00333	2.3
152.01170	48.0
153.01950	19.1
163.04021	1.9
165.02003	1.8
171.53790	1.0
179.05536	1.6
200.53632	1.1
203.45157	1.2
260.18225	1.0
295.10342	100.0
296.10767	8.0
299.07730	1.1
309.11774	6.9
310.12256	2.6
315.07196	94.9
316.07498	7.1
455.07947	1.1
611.20026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1632
Annotation	Eriodictyol 7-O-sophoroside
Peak:m/z	Relative Intensity
57.03448	1.4
59.01378	7.7
61.98826	5.0
63.02391	0.5
65.00328	7.5
69.50996	3.9
71.01392	4.8
72.99313	1.4
73.02944	1.5
74.86135	0.4
75.00869	5.7
83.01386	3.8
85.02957	2.2
87.00887	1.8
88.98800	0.7
89.02456	2.2
93.03459	0.8
97.02975	0.8
98.20673	0.5
99.00879	1.8
99.04504	0.7
101.02449	2.1
107.01394	14.5
109.02946	2.3
111.00912	0.6
113.02459	2.0
116.92877	1.3
117.01949	0.6
119.03491	0.6
121.02961	1.1
125.02482	4.4
129.01970	1.0
131.01382	0.6
134.03767	1.2
135.04539	66.6
136.04890	3.6
137.02461	1.5
137.09737	1.2
139.00455	0.6
139.11322	0.6
149.02510	0.7
151.00383	100.0
152.00720	4.8
155.10788	7.1
161.02432	2.1
161.04527	0.9
164.01050	0.6
165.01897	1.2
169.01469	1.5
173.04581	0.6
175.00389	5.4
177.01891	0.9
177.04065	1.5
178.99905	0.5
179.03590	0.5
179.05603	0.6
181.07187	0.6
191.05615	0.6
193.01459	1.7
193.05003	0.6
195.05104	0.6
196.00121	0.6
199.09792	2.1
201.01843	0.5
223.06064	0.7
232.80011	0.5
241.10826	0.8
249.05977	0.8
271.02451	1.0
285.04047	0.8
285.17142	1.0
287.05597	76.9
288.05954	6.3
297.09763	0.7
299.01843	1.6
311.05563	0.6
311.37894	0.5
316.02231	0.9
343.12418	2.2
363.16721	1.0
449.10864	74.2
450.11194	10.7
493.19122	2.4
494.19006	0.5
551.19604	0.9
551.26831	0.7
611.22009	7.7
611.32703	2.9
612.22467	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	611.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	8.0
59.01379	3.3
61.98828	12.0
63.02389	1.3
65.00323	4.9
65.67782	0.4
67.01877	0.5
68.99833	0.4
71.01373	3.4
72.99316	0.4
73.02946	0.7
75.00874	7.2
78.91440	0.4
81.03493	0.4
83.01392	5.8
84.34006	0.4
84.80332	0.4
85.02962	1.7
87.00916	0.5
87.26706	0.4
89.02454	1.0
93.03467	1.1
95.01396	1.0
97.02972	0.5
101.02446	2.2
105.03455	0.8
107.01398	8.0
108.02214	0.8
109.02957	4.8
111.00851	1.0
113.02477	1.1
117.03456	1.6
119.05029	2.5
121.02963	3.0
123.00862	0.6
123.04533	4.2
124.01675	2.0
125.02456	100.0
126.02798	3.9
131.01392	1.3
133.02983	1.0
135.00844	0.7
135.04547	0.9
137.02460	3.4
139.04037	2.8
143.05029	0.6
145.02969	6.0
147.04530	1.3
149.02452	14.1
150.03191	1.4
151.00380	31.0
151.03981	2.8
152.01198	3.4
153.01947	37.9
154.02264	2.0
155.10794	0.5
161.02477	2.3
161.04613	0.8
161.06061	1.0
163.00388	4.5
163.03966	1.8
165.01924	1.3
165.05592	0.7
166.02672	0.6
167.03502	1.5
168.00591	0.5
169.01421	2.3
171.04495	0.6
173.06117	0.5
174.03224	1.6
175.00423	2.7
175.04007	13.1
176.01086	1.1
176.04341	0.7
177.01939	21.5
178.02322	1.1
178.99872	19.3
179.03406	0.9
180.00243	1.1
181.01408	3.0
185.06036	0.7
187.03978	0.8
188.04785	1.7
189.01909	0.6
189.05591	3.7
191.03511	2.5
193.01450	0.5
193.05109	0.7
195.03084	2.0
195.04457	0.4
196.05060	0.4
198.03206	0.4
199.03998	7.6
201.01929	1.7
202.99927	0.5
205.01477	0.7
205.05136	0.5
213.05586	1.4
215.03429	0.5
215.07129	0.7
216.04253	1.6
216.40396	0.4
217.05042	7.7
218.05310	0.6
219.02916	0.7
229.93575	0.4
231.06610	1.2
240.04147	0.5
241.05028	7.0
242.02446	0.5
242.05257	0.7
243.02895	1.4
256.03540	0.4
257.04529	1.5
259.06033	4.4
267.02948	0.6
270.05377	0.4
275.02579	1.0
275.05588	19.4
276.05829	1.9
284.03235	1.7
285.04022	60.6
286.04407	6.3
299.05627	5.7
303.05084	90.6
304.05411	10.1
307.08011	0.7
309.04013	0.8
327.05182	1.9
341.06705	0.7
351.05060	0.4
419.10040	0.5
459.09207	1.8
461.10876	6.7
462.11298	1.1
471.09152	1.8
472.09457	0.4
487.08795	6.7
488.08942	1.5
489.10406	1.4
551.26959	4.4
552.27289	0.9
583.14551	6.9
584.14948	1.2
593.13055	5.5
594.13214	1.2
611.14594	4.6
611.26044	2.4
611.36420	6.2
612.14594	1.2
612.27527	0.7
612.37122	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
59.01373	1.9
61.98831	14.1
63.02393	0.7
65.00326	16.8
66.00632	0.3
69.67710	0.9
69.68135	1.0
69.87938	0.2
71.01379	2.6
72.99311	0.6
73.02955	0.6
75.00864	1.8
83.01394	6.8
83.01872	0.5
85.02961	0.8
88.98820	1.8
89.02432	0.6
91.05557	0.3
93.03474	1.1
95.01411	0.3
97.02959	0.3
98.19865	0.5
101.02479	1.1
107.01402	22.7
107.05039	0.4
108.01733	0.9
108.99335	0.4
109.02966	3.2
109.93243	0.3
110.03313	0.3
113.02480	0.8
116.92902	0.4
117.03479	0.6
119.05043	0.9
121.02984	0.9
123.04600	0.4
125.02464	38.6
126.02826	1.1
131.01418	1.3
132.02220	0.5
133.02971	14.3
134.03738	1.2
135.04539	74.2
136.04861	3.6
137.01582	0.2
137.02466	1.8
145.03008	0.5
147.04562	0.3
148.05278	0.3
149.02483	1.3
149.06116	1.0
150.03188	0.3
151.00388	100.0
152.00720	4.6
155.10870	0.3
156.81230	0.3
159.03253	0.3
159.04550	0.9
160.01715	0.6
161.02458	54.0
162.02794	3.4
163.04039	0.7
165.01936	3.2
165.05594	0.6
169.01376	1.8
175.00389	3.4
175.04027	0.9
176.00664	0.3
177.01947	6.9
177.05576	3.0
178.02496	0.3
178.99976	0.3
179.03510	10.0
179.10770	0.5
180.03804	0.6
187.00412	0.5
191.05444	0.3
192.04240	0.7
193.01433	0.9
203.03537	1.2
203.10921	0.4
205.01457	0.5
205.04961	0.3
214.06100	0.3
217.01410	0.6
220.03845	0.4
221.04561	4.2
245.04575	0.3
251.05638	0.4
263.05637	0.7
269.04617	1.1
271.06302	0.3
273.50021	0.3
280.05960	0.7
281.06683	0.5
285.04025	0.7
287.05600	33.4
288.05951	2.8
303.05026	0.8
323.07718	41.0
324.08118	4.2
342.88431	0.3
369.16116	0.3
387.12909	0.5
449.10919	11.6
450.11203	1.4
475.08823	2.6
476.08670	0.3
501.10324	4.1
502.10919	0.7
549.15918	0.3
549.23395	0.4
585.27094	0.3
611.14191	76.0
612.14532	16.2
612.22675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.4
59.01379	2.0
61.98831	27.6
63.02397	2.0
63.27748	0.4
65.00323	5.1
67.01892	0.5
68.99810	0.8
69.32610	2.9
69.33036	2.3
71.01389	3.8
72.99306	0.6
73.02955	0.8
75.00880	6.2
81.03477	0.6
83.01394	5.6
84.01743	0.5
85.02946	0.9
87.00887	0.5
89.02428	1.0
93.03475	2.0
95.01405	0.7
95.05024	0.7
95.74708	0.4
97.02987	0.8
98.20577	0.9
101.02444	1.8
103.08128	0.4
107.01398	8.0
108.02214	0.8
109.02975	5.1
111.00849	0.6
113.02442	1.1
117.03476	1.5
119.03524	0.6
119.05047	1.7
121.03011	2.2
122.03779	0.6
123.00925	0.8
123.04536	3.6
124.01698	2.4
125.02461	100.0
126.02801	3.8
131.01442	0.5
133.02972	0.9
135.00883	0.4
135.04573	0.7
137.02480	2.9
139.04034	2.9
145.02985	5.4
146.03661	0.6
147.04547	1.2
149.02467	13.6
150.03099	1.4
151.00386	29.0
151.03990	2.8
152.01186	3.9
153.01958	34.1
154.02280	1.4
160.01656	0.5
161.02437	1.9
161.04498	0.5
161.06087	1.0
163.00380	4.5
163.04030	1.9
165.01964	1.2
166.02669	0.6
167.03502	1.9
169.01419	2.4
171.04579	0.9
173.06088	0.6
174.03236	2.1
175.00389	4.2
175.04016	12.0
176.01155	0.9
176.04327	0.7
177.01944	20.6
178.02341	1.0
178.99873	19.6
179.03452	0.8
180.00249	1.0
181.01468	3.6
187.04021	0.7
187.07686	0.5
188.04810	2.1
189.05537	4.1
191.03477	2.8
191.05231	0.4
193.01543	0.5
193.05072	1.3
195.03041	1.6
197.06116	0.5
199.04007	6.7
201.01933	1.9
205.01428	0.5
213.05563	1.2
215.03450	0.9
215.07028	0.7
216.04288	1.0
217.05055	7.2
218.05321	0.8
219.02992	0.9
231.06528	0.9
241.05040	6.5
242.05440	0.6
243.02916	1.4
256.03799	0.6
257.04483	1.0
259.06113	3.7
275.05609	17.9
276.06064	1.7
283.02646	0.6
284.03241	1.4
285.04031	57.1
286.04376	5.6
295.42880	0.5
299.05585	5.2
303.05103	87.4
304.05469	8.8
307.08142	1.6
309.04126	1.2
327.04947	2.4
328.66510	0.6
346.03409	0.7
391.27151	0.6
459.09167	1.7
460.10010	0.6
461.10883	6.9
462.11142	1.1
471.09177	2.1
487.08694	5.3
488.09402	1.1
489.10260	1.3
545.07715	0.4
551.27032	3.2
567.14728	1.0
580.98926	0.6
583.14673	5.5
584.15155	1.7
593.13043	4.4
594.13336	1.1
611.14264	4.8
611.26373	2.0
611.36566	5.7
612.14545	1.6
612.36877	0.8
619.15570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73336	0.5
55.01873	1.2
57.03442	2.3
57.57431	0.5
58.00589	0.6
59.01379	12.8
61.98827	3.3
63.64708	0.4
67.01895	0.8
68.99805	0.9
69.03457	5.0
69.93250	2.6
71.01385	12.4
72.99323	4.0
73.02950	3.3
73.11150	0.5
75.00880	13.2
75.28126	0.5
81.03467	0.8
81.43771	0.4
83.01401	1.6
85.02957	13.1
86.03345	0.7
87.00889	5.5
87.04518	1.1
88.64017	0.5
88.98841	1.3
89.02435	3.0
90.34192	0.5
93.03481	2.1
95.01393	2.9
97.02966	3.0
99.00902	8.3
101.02460	2.7
103.00345	0.7
111.00900	1.5
113.02456	10.6
115.00391	2.1
117.02003	1.2
117.03500	1.9
119.05036	3.3
120.31446	0.5
124.94321	0.4
125.02490	0.8
126.90267	0.6
129.01949	2.8
135.08218	1.4
135.19632	0.5
137.02463	4.7
137.09756	7.0
141.01953	1.0
145.02975	6.4
146.03409	0.6
151.00389	1.9
151.03999	0.5
155.10796	60.9
156.11128	2.7
157.01657	0.7
158.93933	0.7
159.03021	0.7
161.04578	0.5
163.04007	2.5
168.00732	0.5
175.02504	1.7
175.03966	1.2
177.04080	1.9
178.99962	0.9
181.07231	0.9
181.08728	2.2
191.05629	0.5
195.05226	0.5
199.09770	17.7
200.10187	1.4
211.07643	1.1
211.13348	0.6
213.11339	1.2
231.05096	0.7
235.44894	0.5
243.03029	1.5
249.06160	6.3
255.03027	1.4
270.01630	0.7
271.02493	3.8
273.13470	4.0
281.06644	2.3
299.01978	3.2
300.02753	2.9
301.03488	3.4
314.04300	3.2
315.05038	1.4
347.56543	0.5
359.13440	0.7
387.16660	1.9
391.99625	0.5
431.15698	1.5
445.11450	2.6
447.09045	3.3
447.22757	0.6
449.16574	11.0
450.17056	1.3
463.08945	1.0
491.17572	0.7
493.14798	0.6
519.29742	0.8
531.03217	0.6
542.14374	0.5
549.30554	1.0
565.21552	1.3
571.16992	1.7
591.19666	1.4
609.20721	100.0
610.20947	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	609.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03431	1.0
58.00575	1.2
58.50434	0.5
59.01376	29.6
60.29310	0.5
61.98837	6.6
69.46573	4.3
71.01389	20.2
72.99306	2.0
73.02949	1.1
75.00889	0.5
75.15381	0.4
78.95892	0.9
83.01390	1.0
85.02946	4.7
87.00889	0.9
88.98879	0.5
89.02451	17.4
93.03465	8.2
95.01418	2.0
96.96994	1.1
99.00868	1.0
101.02451	15.2
108.02202	1.1
109.02995	0.6
113.02458	7.6
119.03514	9.0
125.02478	0.9
129.05609	0.5
131.03484	0.8
133.01428	1.0
137.02451	12.3
138.02797	0.6
143.03551	0.6
147.06654	2.9
149.02509	0.7
151.04030	0.5
152.01138	1.4
153.01913	1.0
160.04005	0.5
161.02489	0.8
161.04614	0.6
163.04135	0.6
177.03976	0.6
179.03564	0.5
179.05609	0.6
191.05609	0.7
237.06210	0.6
271.02383	0.6
285.04080	0.9
299.07648	1.3
301.03445	0.7
309.11902	100.0
310.12247	7.8
313.09235	1.1
315.07343	2.7
447.09146	0.6
546.15430	0.5
609.14807	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	609.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45584	0.4
55.01863	0.6
57.03437	1.6
59.01373	15.5
60.01712	0.4
69.95647	2.3
71.01382	15.4
72.01723	0.6
72.99302	1.8
73.02939	1.0
75.00878	6.3
78.45740	0.4
78.94686	0.5
78.95908	0.8
85.02952	13.2
86.03260	0.5
87.00886	7.4
87.01413	0.8
89.02457	7.7
93.03469	1.4
95.01405	2.5
99.00895	3.7
101.02454	4.0
103.00394	1.4
103.04015	0.7
105.01951	0.7
108.02182	2.0
109.02943	1.1
111.00876	0.5
113.02455	19.8
115.00375	1.7
117.01940	1.3
118.98071	0.6
119.03504	1.7
123.44213	0.5
129.01961	1.4
131.03540	0.6
133.01424	1.2
135.03166	0.5
137.02469	1.2
149.00670	0.6
149.04599	0.8
152.01160	2.8
153.01945	1.2
156.88037	0.4
157.01399	0.5
161.04576	0.6
163.06136	0.7
175.02480	0.9
179.05650	0.5
190.96141	0.5
207.05029	0.9
223.08209	1.0
249.06203	1.9
265.09201	3.2
267.07187	100.0
268.07501	6.4
295.10312	4.9
311.09790	0.7
314.06931	0.5
315.07187	4.0
316.07462	0.5
341.10916	0.8
440.24451	0.5
510.59204	0.4
609.16620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92630	0.2
54.36743	0.1
57.03451	0.5
59.01364	0.9
60.99288	0.2
61.98830	5.7
63.02391	1.9
65.00323	9.2
66.00621	0.2
68.99828	0.3
69.03448	0.2
71.01379	0.8
73.02954	0.1
75.00866	0.2
78.95923	0.2
81.03468	0.4
81.77142	0.1
83.01390	4.6
84.01730	0.2
85.02969	0.3
88.98808	1.2
89.02448	0.3
91.01902	0.4
93.03465	5.7
94.03798	0.3
95.01383	0.2
97.02979	0.5
101.02460	0.6
103.01901	0.4
104.46772	0.1
107.01404	13.2
108.02274	0.3
109.02961	0.6
113.02493	0.2
117.03448	1.1
119.05039	30.5
120.05352	1.4
120.29886	0.1
121.02976	1.1
123.00910	0.2
123.04550	0.2
125.02466	3.4
126.02789	0.2
131.01414	1.0
132.02168	0.8
133.02951	0.6
134.03767	1.6
135.00916	0.3
135.04533	0.3
136.01714	0.3
137.02473	1.3
139.04030	0.3
143.05006	0.9
145.01888	0.3
145.02977	3.6
146.03244	0.2
147.00836	0.2
147.04614	0.3
149.02467	0.5
149.06100	0.5
151.00383	48.6
152.00694	1.8
159.04552	0.2
160.01672	4.0
161.02512	0.8
161.04863	0.2
161.06075	1.1
163.00436	0.2
163.04010	0.6
164.01161	0.5
165.01947	3.2
166.02245	0.2
167.03581	0.2
169.01443	1.7
175.00403	3.7
175.04012	4.6
176.00711	0.2
176.04663	0.5
177.01949	5.3
178.02354	0.3
179.00014	0.2
179.03490	0.5
185.06065	1.5
187.04022	1.9
188.04573	0.2
189.02013	0.4
189.05569	0.2
191.03506	0.2
191.05659	0.1
191.07216	0.8
193.01408	1.5
193.05052	1.7
199.07631	0.3
201.05536	0.3
203.07211	0.3
205.01498	0.2
209.04497	0.3
209.11899	0.3
227.07129	2.0
228.07585	0.2
229.04990	0.5
235.06090	0.8
239.07111	0.2
241.04948	0.2
271.06094	100.0
272.06424	9.8
272.10861	0.2
285.04593	0.2
285.07642	1.0
295.05640	2.3
295.08609	0.7
296.06268	0.3
313.07175	2.1
314.07709	0.2
323.07690	0.6
327.19595	0.2
337.09314	10.6
338.09671	1.3
463.12213	0.3
489.10477	1.0
608.73407	0.2
609.16132	4.8
609.29767	1.2
610.16162	1.2
610.30499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
59.01377	0.5
61.98831	2.3
63.02390	2.1
65.00321	8.8
66.00658	0.2
68.99813	0.2
69.03484	0.1
69.59632	0.8
71.01385	0.5
72.99329	0.1
75.00873	0.1
79.01893	0.1
81.03457	0.3
83.01388	5.4
84.01746	0.1
85.02965	0.1
87.00911	0.1
88.98835	0.1
91.01901	0.2
93.03464	5.4
94.03811	0.4
95.01388	0.2
97.02982	0.2
98.19930	0.1
101.02493	0.1
103.01875	0.2
107.01398	15.0
108.01744	0.4
108.99357	0.2
109.02977	0.4
113.02479	0.2
116.92848	0.1
117.03472	1.1
119.05038	32.9
120.04597	0.2
120.05367	1.6
121.02956	0.8
123.04527	0.2
125.02454	3.0
131.01413	1.0
132.02205	1.0
133.02995	0.7
134.03757	2.0
135.00880	0.4
135.04605	0.3
136.01666	0.4
137.02458	0.8
143.05070	0.7
145.02974	3.6
146.03287	0.1
147.04510	0.2
149.02434	0.6
149.05054	0.1
149.06084	0.5
149.99628	0.1
151.00383	50.0
152.00711	2.0
157.06653	0.2
160.01671	4.0
161.02460	1.0
161.06085	0.9
163.00272	0.1
164.01166	0.4
165.01944	2.9
169.01430	1.3
173.06088	0.1
175.00383	3.8
175.04015	5.2
176.00703	0.2
176.04681	0.6
177.01947	4.9
178.02362	0.4
179.03508	0.7
179.10709	0.1
181.06125	0.1
183.08202	0.1
185.06082	1.7
187.04004	2.1
187.81158	0.1
188.04642	0.1
189.01927	0.4
189.05521	0.2
191.07127	0.6
193.01413	1.7
193.03065	0.2
193.03424	0.1
193.05063	1.7
194.01717	0.1
194.05321	0.1
199.07660	0.3
201.05455	0.1
202.02551	0.1
203.07118	0.2
205.01451	0.3
217.01393	0.2
217.05162	0.1
219.02977	0.2
227.07124	2.0
228.07555	0.2
229.05040	0.5
230.05270	0.1
235.06061	0.8
253.04980	0.2
265.07108	0.1
267.06616	0.1
270.05142	0.1
271.06094	100.0
272.06439	9.6
285.07687	1.1
295.05649	2.7
295.08572	0.9
296.06250	0.2
313.07175	2.1
314.07806	0.3
323.07623	0.6
337.09305	10.9
338.09659	1.2
366.40799	0.1
463.12683	0.3
485.06931	0.1
489.10632	0.6
609.16248	5.1
609.28870	0.5
610.16766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1472
Annotation	Robinetin 3-rutinoside
Peak:m/z	Relative Intensity
57.03435	0.9
59.01380	4.3
59.58190	0.3
61.98835	2.8
63.02394	1.9
65.00307	2.5
69.51300	2.7
71.01369	2.6
72.99307	0.5
73.02947	0.7
75.00886	2.9
83.01392	2.5
85.02962	1.4
87.00893	0.9
88.98805	0.8
89.02449	0.9
91.01884	0.7
93.03466	2.2
99.00859	0.5
101.02445	1.4
103.80145	0.4
107.01392	6.4
108.02197	0.8
109.02961	6.3
111.85209	0.3
113.02458	0.7
116.18991	0.4
117.03452	1.0
119.01423	0.5
119.05017	1.5
121.02959	6.1
122.03366	0.5
123.04652	0.4
125.02451	1.3
129.01933	0.6
129.18835	0.3
135.00903	0.9
135.04491	0.4
137.02438	2.4
145.02968	4.2
148.01717	0.9
149.02469	1.0
151.00383	26.4
152.00754	1.2
153.01964	0.4
155.10782	1.4
159.04541	1.0
161.02484	0.7
161.06041	0.4
163.00381	6.6
163.04012	1.4
164.01129	0.8
165.01907	0.6
167.05028	0.6
169.01532	1.7
171.04706	0.3
173.06021	0.5
175.04102	0.8
177.04062	1.5
178.99872	15.0
180.00214	0.8
181.12404	0.5
183.04543	1.1
185.02466	0.5
187.03995	1.5
187.05547	0.3
189.01918	0.4
189.98700	0.4
190.99876	0.5
192.00691	0.4
193.01369	0.5
195.05034	1.0
199.04051	0.5
199.09882	0.6
200.05156	0.4
201.05576	1.3
203.03572	0.7
204.69353	0.4
211.03966	3.1
211.07739	0.4
212.00639	0.3
212.04640	0.7
215.03482	0.6
216.04243	0.8
226.02647	0.6
227.03500	3.1
228.04285	0.4
229.01375	0.4
229.05038	2.0
239.03508	1.2
239.10652	0.5
243.02969	5.7
244.03600	0.4
245.04501	3.9
254.02129	1.1
255.02971	20.0
256.03448	2.0
257.04529	0.7
271.02441	31.1
272.02893	3.8
273.03983	2.9
283.02530	3.1
284.02994	0.5
285.03995	1.0
299.01926	1.5
300.02737	47.4
301.03503	76.5
302.03848	6.4
373.83545	0.4
446.05286	0.4
447.09210	0.4
499.27097	0.8
549.30865	1.7
571.16724	1.1
599.70813	0.5
609.14709	100.0
610.15063	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	608.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.22407	0.2
66.85160	0.2
69.42695	0.5
69.43106	1.5
69.98221	0.2
112.27542	0.2
146.03908	0.2
183.45001	0.2
270.53226	0.2
355.75806	0.2
429.90103	0.3
471.35117	0.3
472.35297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
59.01376	11.4
61.98824	4.5
63.02400	0.7
65.00347	1.1
69.43171	1.4
69.43593	3.4
71.01388	7.9
72.99324	1.4
73.02932	2.7
73.06500	0.5
75.00869	4.4
78.95888	1.0
83.01427	1.4
85.02954	5.1
85.79368	0.5
87.00870	2.6
88.98819	2.0
89.02457	3.5
93.03448	2.6
95.01392	1.2
96.96040	2.2
96.96992	1.5
97.02966	1.3
98.20638	1.0
98.95634	1.0
99.00903	1.6
101.02464	4.3
107.01423	2.6
108.02191	1.1
109.03023	0.8
111.00892	1.1
113.02454	3.7
115.00370	0.8
115.92130	0.6
116.92883	0.7
117.03460	2.9
119.03522	1.2
119.05063	2.2
121.03028	0.7
125.02456	1.5
127.68963	0.6
129.01952	1.4
131.03510	0.7
132.02184	0.8
132.04811	0.5
135.00925	1.1
137.02469	3.2
145.02968	14.9
146.03329	1.4
147.26912	0.6
148.01680	0.9
151.00372	6.3
151.04053	0.6
152.01141	0.8
153.01920	0.6
155.10820	3.5
159.03035	0.9
161.04599	1.6
163.00424	1.7
163.04008	1.9
164.01189	1.3
165.01933	1.8
175.04102	0.8
177.04057	2.3
178.72314	0.5
178.99855	4.1
179.03542	1.0
179.05652	1.0
179.10797	1.2
180.04303	1.0
181.07217	0.7
183.04556	1.2
187.04094	0.8
191.05507	1.2
195.05005	1.3
195.06659	1.4
199.03915	0.6
199.09770	1.3
199.80753	0.6
201.66458	0.6
206.99648	0.8
211.04018	1.5
211.07590	0.7
213.05521	0.9
225.07671	1.3
226.02829	0.8
227.03494	32.9
228.03819	3.8
229.05103	2.8
239.03406	0.8
243.02940	6.7
249.06174	0.7
254.02292	1.3
255.02972	70.7
256.03497	9.6
257.04514	2.1
267.26999	0.6
271.02454	31.4
272.02927	3.0
283.02429	2.3
284.03247	74.2
285.03922	24.1
286.04416	1.8
289.07172	1.0
299.01971	1.5
300.02740	58.2
301.03259	7.2
307.08124	0.7
312.29105	0.7
337.09219	1.1
429.08188	2.2
463.08591	0.9
493.18991	0.9
508.96411	0.6
527.19012	0.6
549.25165	4.4
571.16803	4.0
573.17303	0.7
608.71667	1.7
609.14557	100.0
610.14862	19.0
610.22839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90270	0.3
54.18438	0.3
59.01391	1.6
61.98829	100.0
70.27963	0.4
70.50597	0.4
70.73306	0.6
70.73640	0.7
78.44668	0.3
78.95912	1.1
81.32805	0.3
82.50205	0.3
83.50525	0.3
85.39467	0.3
91.20048	0.4
125.02529	0.6
129.43958	0.3
258.71396	0.3
259.69547	0.3
260.31104	0.3
265.25870	0.3
509.12820	0.8
527.13403	3.8
528.14038	0.7
545.14447	6.7
546.15228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46193	0.1
59.01376	0.5
61.98830	100.0
62.98525	0.2
71.01393	0.6
73.02949	0.2
78.95911	0.5
80.39648	0.1
85.02955	0.3
87.00881	0.3
88.04010	0.1
89.02450	0.4
93.03491	0.3
96.96032	0.4
96.96963	0.4
98.20693	0.2
99.00874	0.3
101.02468	0.4
112.98838	0.2
113.02457	0.3
119.03541	0.2
124.01765	0.2
124.75428	0.2
125.02493	0.3
133.02974	0.5
137.02499	0.5
142.99826	0.2
144.04576	0.2
149.02330	0.2
151.04070	0.2
161.02463	2.3
162.02855	0.2
165.05527	0.2
173.00974	0.4
174.01378	0.2
174.05582	0.3
175.01405	0.2
180.87244	0.2
184.77379	0.2
191.05658	0.5
218.10419	0.2
270.82245	0.2
271.02567	0.2
279.10873	0.2
283.02704	0.3
294.09933	0.3
299.02036	0.4
301.03531	0.3
309.12268	0.2
314.09445	0.2
323.13318	0.1
355.78064	0.2
528.08551	0.1
545.15131	1.2
555.18756	0.1
609.15063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95147	0.1
57.03452	0.3
59.01374	1.3
61.98829	100.0
62.98540	0.3
64.70330	0.1
71.01402	0.4
72.99337	0.1
73.02944	0.1
75.00880	1.0
78.44633	0.1
78.95914	0.9
78.98642	0.1
79.95733	0.1
80.66321	0.1
80.96529	0.7
82.08128	0.1
83.01421	0.2
84.96126	0.1
85.02998	0.2
87.00900	0.2
88.98824	0.4
89.02464	0.3
93.03481	0.2
94.98109	0.1
95.01389	0.1
97.02948	0.1
100.19197	0.1
101.02476	0.3
107.01381	0.1
109.02968	0.3
113.02486	0.1
117.37643	0.1
119.05045	0.2
121.02954	0.1
123.04545	0.2
125.02460	1.0
134.03780	0.1
136.86076	0.1
137.02460	0.9
145.03008	0.2
148.99100	0.1
149.02444	0.1
149.91858	0.1
150.03236	0.2
151.00404	0.3
151.04065	0.2
152.99625	0.2
159.04501	0.1
161.02486	0.2
164.01152	0.2
164.98654	0.2
165.01942	0.7
167.03598	0.1
169.12383	0.1
175.03960	0.2
179.03558	0.1
209.11835	0.1
211.13440	0.2
225.00754	0.1
252.99966	0.1
271.03455	0.1
271.06070	0.5
271.13419	0.1
286.05035	0.1
287.05432	0.2
289.07236	0.1
383.11566	0.2
577.24670	0.2
608.23199	0.1
608.31482	0.1
609.25232	1.3
609.39575	0.8
625.96539	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	607.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
57.03448	1.5
58.02960	0.8
59.01378	11.5
61.98833	7.4
64.14741	0.9
69.03452	3.2
71.01389	12.0
72.99320	1.9
73.02949	4.7
74.02472	18.3
75.00891	5.1
83.01381	3.1
85.02958	9.2
87.00889	4.0
87.04488	1.0
89.02442	4.2
93.03465	89.0
94.03796	3.0
95.01365	1.3
98.02483	1.8
99.00877	3.4
101.01842	1.2
101.02451	9.1
108.02156	0.9
111.00136	1.4
111.00891	18.2
112.85613	0.8
113.02448	5.6
116.03550	16.8
119.05032	1.9
119.71383	0.8
123.04484	0.7
125.02482	1.5
129.01949	3.4
131.03488	1.9
132.02161	6.8
133.02989	4.2
134.03766	11.5
135.02980	1.0
135.04570	3.9
137.02460	100.0
138.02785	3.5
142.99826	1.0
149.04585	1.6
149.06088	3.0
151.00339	3.4
151.04050	2.8
155.10834	3.8
160.01668	43.0
161.02457	13.1
161.04520	2.0
162.02931	1.0
163.04013	1.3
173.00871	1.8
173.04546	1.0
173.08252	1.6
175.04012	60.6
176.04340	3.7
177.03999	3.1
177.05426	1.2
178.02646	1.2
179.03470	3.2
179.10754	1.8
181.07205	1.1
181.12331	1.1
191.07187	1.5
193.05096	14.2
195.05138	1.5
199.09912	1.1
229.81416	0.9
249.06377	1.0
255.02940	2.5
264.85471	0.9
271.02652	5.7
271.06042	7.4
272.06168	1.0
283.02618	2.5
284.02979	2.1
285.03162	1.8
298.17178	0.8
299.22269	1.3
300.02710	7.1
323.07697	6.9
324.07993	1.2
337.09283	59.8
338.09647	6.9
400.72696	0.9
401.14484	1.3
432.09439	1.3
443.18829	1.1
459.26706	0.9
460.26163	6.0
461.21521	1.5
461.27496	13.9
475.12430	65.2
476.12738	10.5
521.27899	1.9
522.28827	2.7
547.27899	0.8
563.29272	6.8
564.30219	13.8
565.11908	1.9
607.14825	9.2
607.25494	4.0
608.14648	1.5
608.22974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02703	0.3
59.01368	1.1
60.04641	0.3
61.98829	100.0
71.51093	0.7
74.42884	0.3
74.95705	0.3
78.95896	1.0
87.75820	0.4
114.11290	0.4
116.92900	0.5
125.02461	1.1
151.00381	0.4
164.73375	0.4
176.27016	0.4
233.21872	0.4
277.21936	1.0
301.03473	0.4
344.50864	0.4
351.08838	0.4
471.34839	1.3
472.35083	0.7
509.12921	0.7
527.13324	2.9
528.14276	0.7
545.14575	6.3
546.15002	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	607.1309
Annotation	Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]
Peak:m/z	Relative Intensity
57.03436	0.7
59.01382	3.0
61.98824	4.4
63.27203	0.4
65.00317	0.9
67.24471	0.4
71.01378	3.5
72.99312	0.6
73.02966	1.1
74.02471	3.6
74.02798	0.4
83.01408	1.0
83.32179	0.4
85.02952	1.9
87.00891	0.4
88.98819	0.8
89.02471	1.4
93.03486	0.7
96.96010	0.7
98.02457	0.5
99.00872	0.5
101.02461	1.6
105.27800	0.4
107.01411	1.3
108.02189	2.2
109.02940	0.7
111.00887	2.8
113.02467	1.6
113.04781	0.4
116.03557	3.8
116.92816	0.5
119.05035	0.7
121.86755	0.4
125.02477	1.5
129.01962	0.5
135.00897	0.7
137.02466	1.2
142.55119	0.4
145.02962	0.9
148.01773	0.9
150.13495	0.4
151.00395	4.8
151.04016	0.6
153.01936	0.4
155.10783	0.5
161.02519	0.5
163.00383	0.8
164.01183	0.7
169.01472	0.7
174.59087	0.4
175.57315	0.4
177.03986	0.4
178.99866	6.3
179.10863	0.5
181.07112	0.6
187.04037	0.5
198.03275	0.4
199.04033	1.5
201.01917	0.4
203.03461	0.4
203.07034	0.4
205.04955	0.4
211.03969	0.9
215.03540	0.5
216.04305	0.6
226.02695	1.7
227.03514	3.2
243.02954	11.2
244.03337	1.1
254.02251	2.0
255.02969	27.8
256.03232	4.0
257.03445	1.4
271.02451	55.9
272.02856	7.0
283.02466	4.2
284.02856	3.4
285.03482	4.8
286.04321	2.7
287.04575	2.4
299.01852	1.7
300.02750	100.0
300.99631	0.7
301.03180	12.9
303.04932	0.4
373.26056	1.0
409.93216	0.4
417.08084	0.5
418.08499	0.6
419.08765	1.1
431.09491	0.9
432.09680	1.5
433.10522	1.1
445.20410	0.5
457.07611	0.6
461.27536	3.2
475.08664	0.8
522.29034	1.1
547.28027	0.5
564.30273	4.2
571.27533	0.6
607.13031	79.2
608.13324	16.7
608.21283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66295	0.3
55.56115	0.3
57.03444	0.6
57.32474	0.3
58.00600	0.3
59.01376	4.4
61.98830	4.8
63.02397	0.5
65.00335	0.6
69.03477	0.3
69.46133	0.7
69.46553	1.9
71.01383	3.6
71.24619	0.4
72.99318	1.5
73.02954	1.0
74.02483	1.1
76.25990	0.3
83.01391	1.2
85.02947	1.9
87.00898	1.0
88.98824	1.1
89.02432	1.5
91.01903	0.5
93.03462	1.4
95.01380	0.5
97.02936	0.4
99.00906	0.7
101.02438	1.5
107.01382	1.6
108.02198	1.5
109.02981	0.5
111.00887	0.8
113.02474	1.5
116.03584	1.1
116.92891	0.5
117.95967	0.3
119.03482	0.5
119.05056	0.7
121.02985	0.6
123.40498	0.3
124.01688	0.6
125.02451	1.5
129.01990	0.4
131.03543	0.7
131.33128	0.3
134.03780	0.8
135.00926	0.9
135.04529	0.4
137.02441	1.8
137.09627	0.3
145.02989	1.1
148.01659	1.4
149.00691	0.7
149.02434	0.5
149.04640	0.5
149.99611	0.4
151.00385	4.9
153.01999	0.7
155.10843	0.3
160.01672	1.0
161.02460	1.3
161.04547	0.5
163.00391	1.3
163.04071	0.5
164.01169	0.9
168.00667	0.5
173.04617	0.3
173.06105	0.3
174.89040	0.4
175.00378	0.5
175.03966	1.4
177.01929	0.4
177.04041	0.8
177.05576	0.3
178.99895	3.8
181.12477	0.4
182.26190	0.3
187.03917	0.5
189.01933	0.3
190.02788	0.5
191.05600	0.5
192.00652	0.5
199.04019	0.8
201.01985	0.5
205.05070	0.8
211.03935	0.4
215.03513	0.7
216.04240	0.5
226.02692	1.7
227.03487	3.1
230.04880	0.3
233.55966	0.3
243.00479	0.3
243.02985	10.7
244.03467	1.3
254.02191	2.0
255.02980	29.1
256.03348	2.6
259.05917	0.6
265.07123	0.5
269.04227	0.5
271.02460	61.9
272.02847	7.1
283.02493	0.5
285.03989	0.7
287.05518	0.5
299.02023	1.6
300.02759	100.0
301.03195	12.7
302.03888	0.6
401.89777	0.3
403.18414	0.3
415.23129	0.8
431.15820	0.7
461.27472	0.7
475.09372	0.6
476.17947	0.4
489.27402	0.5
517.27344	0.4
547.27777	1.2
564.30408	0.9
565.12048	6.5
566.12378	1.1
607.13013	65.8
607.21918	2.8
608.13391	13.5
608.22144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25655	0.2
53.88688	0.2
59.01381	2.5
60.99296	0.3
61.98827	100.0
71.01399	0.4
78.95888	0.3
88.00420	0.5
88.98820	1.7
89.02455	0.6
90.26456	0.2
100.19322	0.2
101.02491	0.3
103.00417	0.2
109.02959	0.3
116.92922	0.2
125.02477	0.3
126.51289	0.3
151.03992	0.4
226.37489	0.2
286.04523	0.3
291.19641	0.6
292.20145	0.5
503.34424	0.4
546.34381	0.3
606.37646	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	606.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.2
58.44223	0.1
59.01375	1.3
59.18440	0.1
61.98829	100.0
62.98537	0.3
69.49710	0.8
69.50136	0.3
71.01369	0.7
73.02946	0.2
73.64542	0.1
78.95910	0.8
80.96526	0.3
83.01399	0.1
83.05054	0.1
85.02946	0.3
86.02089	0.1
87.00888	0.2
88.00410	0.2
88.98828	0.3
89.02464	0.4
99.94970	0.1
101.02484	0.4
113.02505	0.3
117.23399	0.1
119.03579	0.2
121.02989	0.1
125.02419	0.2
135.41010	0.1
141.51871	0.1
144.39716	0.1
146.67879	0.1
148.36766	0.1
152.99657	0.6
161.04654	0.2
209.11905	0.6
211.13484	0.3
255.03044	0.2
284.02902	0.2
291.19711	0.2
363.12234	0.2
512.38995	0.1
546.29858	0.8
547.30914	0.2
575.26764	0.3
606.38031	0.2
607.25299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
57.03435	0.2
58.00585	0.5
59.01377	8.8
60.01696	0.1
61.98833	2.7
69.03432	0.2
69.75470	0.1
71.01382	4.9
72.01724	0.1
72.99305	0.6
73.02947	1.6
75.00871	0.6
76.41628	0.1
83.01402	0.5
85.02960	1.7
86.00079	0.1
87.00878	1.0
88.98820	0.5
89.02453	5.8
89.03007	0.3
93.03476	0.4
96.96008	0.2
97.03003	0.3
99.00904	0.2
99.04545	0.2
99.92592	8.5
100.92622	0.7
101.02459	4.1
103.04008	1.1
107.01447	0.1
108.02209	0.1
109.02979	0.3
109.06566	0.1
113.02478	0.8
114.93435	0.3
116.92873	100.0
117.03482	0.2
117.92886	7.1
119.03526	0.5
119.05062	0.4
121.02949	0.3
122.03722	0.2
123.04520	0.2
125.02486	1.2
127.04041	0.3
129.01945	0.2
131.03528	2.5
132.02188	0.2
134.03801	0.6
135.04547	0.3
137.02451	0.6
143.48717	0.1
145.02960	0.2
145.05075	0.4
147.04465	0.2
147.11815	0.3
149.00691	5.0
149.02502	0.3
149.04572	3.2
149.09818	0.2
150.01038	0.2
151.00385	0.9
151.04007	0.2
152.01122	0.2
153.01935	0.2
155.10803	0.3
159.03076	0.2
160.01691	0.9
161.02448	0.5
161.04568	0.4
163.04025	0.3
163.06139	4.9
163.11325	0.2
165.01875	0.3
167.03572	0.1
167.10788	1.1
175.04013	1.2
177.01984	0.2
177.04074	0.1
181.12352	0.6
182.12674	0.1
183.10324	0.2
185.11838	0.1
191.05586	1.6
191.07150	0.2
191.10756	1.9
192.99649	2.3
193.05072	0.5
193.99921	0.2
195.01204	0.2
195.05092	0.4
209.11794	0.8
225.11339	0.4
226.20421	0.1
229.68806	0.2
243.03030	0.2
247.08293	0.3
253.09215	0.3
255.03011	0.5
256.03302	0.2
271.02496	0.8
271.06021	0.2
281.13950	0.3
285.04037	0.5
287.05746	0.2
289.07114	0.2
291.12506	0.2
293.08777	0.2
297.11728	0.2
299.02042	0.5
300.02719	1.4
301.03406	0.7
302.03894	0.1
303.05124	0.4
353.94498	0.2
371.24283	0.6
381.22308	0.1
382.95059	0.2
385.13034	0.2
415.23422	0.3
424.70697	0.1
466.25430	0.2
469.39233	0.1
489.10257	1.6
490.10226	0.1
490.86578	0.1
547.27820	0.5
563.15948	1.3
564.16064	0.3
589.03137	1.3
590.03259	0.4
607.21838	0.8
607.32373	0.3
608.20685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07302	0.2
55.48329	0.1
61.98814	0.4
69.95546	0.1
78.95924	0.3
90.60321	0.1
104.05065	0.1
106.06639	0.5
115.36777	0.1
145.03001	0.2
162.05548	0.2
166.75682	0.1
190.05664	0.2
332.90100	0.1
379.44147	0.2
387.16266	0.2
394.11575	0.3
401.18063	0.2
414.18796	0.2
415.15414	0.7
416.16696	0.7
426.18121	0.2
427.19522	0.3
428.16245	0.4
429.17239	0.8
430.17944	1.7
431.18109	0.3
441.21194	0.3
442.17804	0.2
443.19467	1.0
444.19180	0.6
445.19812	0.3
453.17267	0.2
455.18616	0.3
456.15375	0.2
457.20776	2.2
458.21042	0.6
459.17743	2.6
460.18622	0.6
461.23428	0.5
467.18677	0.3
468.19727	0.2
469.20444	0.4
470.16278	0.2
470.21060	0.8
471.18088	1.6
472.18658	1.0
473.19659	4.4
474.20013	1.3
475.21454	0.5
476.18503	0.2
482.17505	0.2
485.19693	1.5
485.23785	1.1
486.20703	4.0
487.21365	1.5
496.19174	0.9
497.19421	0.5
499.17474	2.3
500.17505	0.7
501.23776	2.9
502.20847	0.5
502.22125	0.6
503.20660	0.5
510.20938	0.2
511.21393	2.3
512.21619	0.8
513.19214	2.7
514.20026	8.5
515.20319	1.9
517.18665	0.5
518.19440	1.6
519.20032	0.5
527.20813	0.4
528.21796	0.6
529.22375	100.0
530.22705	24.9
532.21136	1.6
533.21588	2.2
534.22131	0.4
546.22534	0.4
561.25171	1.1
562.25214	0.2
573.21625	1.5
574.21796	0.4
605.24133	1.5
605.38855	0.4
606.24310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.2
57.03442	2.6
58.00576	1.2
59.01378	38.5
61.98830	88.0
69.03443	1.0
69.94209	2.0
69.94627	3.7
70.40482	1.1
71.01382	49.5
71.01777	2.6
72.99296	3.3
73.02953	13.8
75.00880	2.1
76.58829	1.0
78.95906	20.9
83.01379	6.9
83.05040	1.9
85.02964	18.7
87.00874	5.3
88.98806	4.2
89.02451	15.8
95.01401	4.5
96.96028	1.4
96.96963	3.0
97.02970	3.2
99.00883	4.3
101.02455	37.0
102.02816	1.4
103.03973	1.0
108.02196	1.1
111.08155	3.9
113.02463	18.6
116.92879	1.8
119.03512	4.7
123.04554	1.3
125.02444	3.6
131.03526	1.4
137.02432	1.8
143.03485	3.6
145.02986	1.4
151.00365	2.8
151.03944	1.5
152.99611	11.6
158.80357	1.0
159.02974	1.9
161.04572	16.3
164.01175	1.7
165.01945	1.0
165.20461	1.0
166.31505	1.2
169.12297	1.7
171.10312	2.1
175.03992	2.1
179.05594	3.1
181.12372	1.7
196.00174	1.3
197.11832	19.9
201.09679	1.4
201.11348	4.9
205.03627	1.3
207.10234	2.5
209.11819	8.2
211.13408	4.2
223.13383	1.2
225.11316	2.7
227.12871	1.3
253.09296	14.4
255.02921	6.3
271.05881	1.1
283.02423	8.6
285.03967	9.5
286.04587	1.7
291.19601	11.7
309.20721	34.3
310.21063	3.5
363.11932	1.9
381.13132	2.0
383.11346	4.4
383.24628	8.7
384.24567	2.1
384.31125	1.0
426.32413	2.6
430.09088	1.4
431.09964	5.2
545.29608	100.0
546.29974	17.1
587.26318	3.0
605.14679	2.2
605.26843	8.8
606.38348	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26971	0.1
59.01372	1.5
61.98828	7.0
63.02397	2.6
64.02731	0.2
65.00321	6.3
65.00666	0.3
68.99815	0.2
71.01392	0.9
72.83677	0.2
72.99304	0.2
73.02961	0.2
75.00851	0.3
78.95905	0.5
83.01391	4.1
85.02940	0.3
85.06601	0.5
85.22675	0.2
88.98828	0.4
89.02459	0.3
91.01895	0.2
93.03468	6.9
95.05033	0.2
96.96015	0.3
97.02953	0.5
98.20570	0.4
101.02441	0.5
107.01400	12.0
108.01675	0.3
108.99379	0.2
109.02948	0.3
113.02449	0.4
113.06074	0.2
115.04017	0.5
117.03458	0.3
119.05037	29.4
120.05387	1.4
121.02944	0.6
123.04510	0.2
124.01688	0.2
125.02468	1.4
131.01416	0.5
133.03004	0.3
135.00893	0.3
135.04521	0.3
137.02397	0.7
139.04008	0.7
143.05028	0.4
145.02957	1.4
149.02498	0.5
151.00385	38.6
152.00688	1.9
161.02452	0.2
161.04532	0.2
161.06085	0.5
163.00352	0.2
163.03990	0.2
164.01170	0.3
165.01942	2.8
167.03517	0.2
169.01428	2.1
175.00391	2.1
175.03983	0.3
176.00751	0.2
177.01927	4.8
178.02272	0.4
179.03514	0.2
184.60361	0.1
185.06107	0.8
187.03998	0.8
193.01477	0.9
196.00038	0.2
199.03905	0.2
209.11952	0.3
211.03990	0.2
219.02975	0.2
227.03481	0.2
227.07118	0.9
229.05090	0.6
229.83762	0.2
241.05074	0.2
255.02998	0.7
270.05194	0.2
271.06094	100.0
272.06430	10.2
283.02478	1.0
284.03241	0.5
285.04007	2.2
285.07663	4.0
286.04691	0.4
286.08014	0.4
295.06119	2.3
313.07278	1.2
337.65552	0.2
355.06842	0.2
383.11337	0.9
384.11987	0.2
415.10309	0.5
430.08936	0.3
431.10068	0.7
447.12729	0.3
475.12531	1.9
476.12671	0.4
587.17993	0.2
605.13916	0.3
605.29968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08082	0.2
57.03460	0.3
59.01366	1.9
61.98821	3.1
63.02422	0.5
65.00053	0.3
65.00345	0.4
66.24643	0.2
69.49770	1.7
71.01373	1.2
72.99323	0.4
73.02946	0.5
74.02465	0.3
75.00891	1.0
83.01406	0.5
85.02969	0.8
87.00921	0.2
89.02484	0.5
93.03434	1.1
96.95975	0.2
97.01068	0.2
98.19878	0.3
99.00915	0.3
100.09032	0.2
101.02470	0.4
107.01423	0.9
108.02176	0.4
109.02992	0.4
113.02488	0.5
116.92860	0.5
117.03482	0.7
119.05078	0.4
121.02998	0.2
123.04538	0.3
125.02489	0.6
127.00443	0.3
129.01897	0.2
133.14276	0.2
135.00916	0.5
135.11774	0.3
137.02440	0.4
145.02991	0.6
146.03714	0.2
151.00352	1.6
152.01065	0.3
154.04289	0.5
155.05070	0.6
159.04520	0.8
160.01649	0.3
161.02487	0.5
163.00366	0.4
163.04066	0.5
165.02022	0.3
169.01514	0.3
169.02823	0.3
169.06577	0.7
171.04469	0.4
173.02449	0.3
173.04604	0.4
173.06046	0.3
179.03577	0.2
179.10826	0.3
181.12349	0.3
183.04506	3.6
185.02444	0.3
185.06122	0.6
187.03986	0.8
189.05582	0.8
195.04926	0.4
198.03151	0.2
199.03915	0.3
211.03995	2.0
213.05573	0.7
214.02625	0.5
215.03476	0.5
215.07166	0.3
227.03482	4.9
229.04982	0.5
239.03409	0.7
241.05031	0.3
243.02931	0.3
243.06636	1.5
249.06172	0.3
255.02959	45.2
256.03336	4.5
257.04514	1.0
270.01642	0.3
283.02451	100.0
284.02875	12.1
285.04013	45.7
286.04349	4.5
298.01242	0.3
299.01764	0.3
327.05014	0.2
399.07013	0.5
405.11819	1.0
411.57388	0.2
416.07462	3.3
417.08203	10.5
418.08508	1.0
429.08389	0.4
430.09018	30.6
431.09714	19.1
432.10110	1.9
447.09601	0.3
459.09323	5.4
459.26227	0.4
460.09985	0.6
473.10580	0.7
473.16800	0.5
545.12671	0.9
562.29077	0.3
605.14893	40.7
606.15277	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	605.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	7.5
59.01379	7.0
61.98824	3.7
70.58412	2.5
70.70682	2.0
70.71032	6.4
71.01389	13.7
73.02943	2.1
75.80554	1.8
81.85860	1.8
81.98793	1.9
83.01400	5.9
85.02952	7.0
87.00904	10.4
89.02428	2.2
95.01371	3.8
96.96045	3.6
96.96942	4.3
99.00890	25.3
101.02425	2.5
103.55247	1.9
106.73968	2.3
111.00874	11.3
112.98817	54.7
115.00384	2.9
116.92876	6.9
123.00898	6.9
129.01953	10.1
136.48279	2.1
137.02472	1.9
138.03275	4.7
142.99879	21.2
143.14584	1.9
145.01474	5.9
147.03006	6.4
153.05615	3.1
161.02492	2.3
163.04050	10.6
164.04814	2.3
173.00928	100.0
174.01706	15.2
175.02422	1.9
175.04028	5.1
176.04749	2.6
177.05507	2.3
178.06303	10.4
179.07135	7.7
179.69313	2.1
182.63605	2.0
188.04755	2.1
189.05551	2.1
190.02722	2.2
191.01927	10.4
191.03513	6.8
191.07182	3.2
193.08682	7.8
203.03549	3.6
205.05110	4.0
206.05859	5.3
209.08104	2.5
216.72705	1.8
218.05827	2.0
219.02824	3.4
221.04579	2.2
221.08244	3.5
234.05269	2.6
247.02412	10.8
262.04813	13.7
264.06354	2.0
265.07147	11.7
277.07181	23.5
278.07764	2.0
295.08154	5.8
328.76056	2.6
337.09256	35.0
338.09262	3.6
355.10522	2.5
383.09717	9.4
413.18671	2.9
427.12500	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	605.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98077	0.3
56.26416	0.4
67.35377	0.5
67.99948	0.4
69.24954	2.1
69.25381	2.5
73.91689	0.4
74.81561	0.4
83.01416	0.6
89.00323	0.4
92.98769	0.4
93.03490	1.1
107.01411	1.0
117.03429	0.6
137.02458	0.5
151.00383	1.5
154.04288	1.1
155.05013	0.8
159.04521	0.8
163.00369	0.7
165.01961	0.9
167.04987	0.5
169.06618	3.4
171.04520	1.2
173.02411	0.9
183.04526	2.4
185.06097	2.1
187.03966	1.9
189.05577	1.8
195.04564	0.6
199.03934	0.7
211.03932	2.3
211.30676	0.4
212.04691	0.4
213.05492	3.1
214.02701	1.2
215.03510	0.8
227.03493	4.9
229.05005	1.5
239.03514	1.1
241.05045	0.9
243.02957	1.8
255.02969	32.0
256.03494	2.7
257.04523	2.5
283.02463	59.8
284.02966	9.6
285.04025	100.0
286.04343	10.8
430.03723	0.5
430.09018	10.9
431.09805	73.7
432.10135	10.7
432.16092	0.5
459.09244	1.3
460.09695	0.5
605.15137	19.8
606.15625	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	605.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01212	0.3
59.22898	0.3
67.13591	0.3
69.40185	2.8
93.03496	0.5
98.20713	0.5
99.00914	0.3
107.01405	0.9
110.14704	0.3
117.03466	0.7
151.00375	1.5
154.92163	0.3
159.04471	0.5
171.04478	0.4
183.04536	3.3
185.02431	0.5
187.03978	0.5
211.04007	2.6
212.04156	0.5
213.05603	0.3
215.03429	0.4
227.03522	2.6
228.04094	0.3
255.02957	37.7
256.03339	3.7
257.04483	0.7
283.02454	100.0
284.02844	12.5
285.04013	14.8
286.04404	1.3
315.27469	0.3
319.07791	0.3
327.05020	0.3
332.76379	0.3
336.67151	0.3
430.09006	32.9
431.03592	0.6
431.09613	12.1
432.10098	0.8
459.09344	3.7
460.09729	0.7
465.69260	0.3
605.15045	51.9
606.15375	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	603.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23934	0.5
59.01374	1.7
60.99305	16.2
61.71814	0.4
61.98832	3.0
62.11958	0.4
69.45496	2.8
69.45908	1.1
69.91160	0.4
78.95927	0.6
87.00913	0.5
88.00415	1.5
88.98811	100.0
89.02444	17.8
89.03003	0.7
89.45226	0.4
89.99142	1.4
91.60109	0.4
94.54332	0.3
97.04156	0.4
98.20634	0.8
130.59491	0.4
142.08629	0.4
152.99603	0.5
155.45840	0.4
164.10507	0.4
195.69365	0.5
234.18372	0.4
277.21722	0.8
603.37408	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41268	0.7
59.01376	43.5
60.01712	0.9
60.99312	0.9
61.98534	1.0
61.98831	16.0
63.45670	0.6
67.01865	0.6
70.84842	1.3
70.85189	0.8
71.01374	3.6
72.99314	0.9
73.02923	0.8
78.95912	1.7
80.02683	0.8
82.95386	0.9
83.05038	3.6
85.02962	1.2
87.00868	0.9
88.98817	4.9
89.02464	1.3
93.03461	1.2
96.96028	1.8
96.96973	1.3
97.06571	1.4
99.92609	1.6
100.74500	0.7
101.02468	1.0
104.83804	0.7
107.93494	0.8
109.06627	0.8
113.02460	1.3
115.92094	3.5
116.92861	6.3
121.03044	0.8
125.09732	0.9
135.08177	0.7
137.02463	1.1
151.03926	0.7
152.07912	0.7
152.99619	0.8
161.04565	0.7
163.11331	3.3
165.01889	0.7
165.12868	1.6
167.06850	0.6
171.10297	6.6
185.11720	0.7
191.10748	1.1
191.14409	1.2
207.10205	1.1
209.11835	100.0
210.12187	7.7
211.13316	0.7
223.13245	0.7
227.12889	10.3
228.13232	0.7
245.19125	0.7
247.13348	1.7
253.09300	4.9
265.14536	0.9
289.18082	11.8
290.18527	0.9
307.19135	11.4
308.19479	1.1
388.88879	0.7
431.23816	0.8
440.31638	0.8
449.25192	0.8
475.26907	1.7
486.64096	0.7
493.28183	1.4
513.29260	1.0
603.24908	3.9
603.35614	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	603.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03447	2.1
59.01378	9.6
61.98832	17.1
64.14719	0.4
65.00309	0.5
68.99821	0.4
69.03460	0.9
69.45333	1.2
69.45744	2.6
71.01386	7.5
71.04995	0.4
72.99328	0.6
73.02950	1.7
73.03332	0.4
75.00873	1.2
77.03974	0.4
78.95942	0.4
80.60454	0.4
81.03471	0.8
83.01390	4.5
85.02963	4.0
87.00872	1.2
88.98818	1.5
89.02452	3.1
93.03473	2.2
94.03108	0.4
94.26849	0.4
95.01389	1.4
95.05051	1.6
96.96017	1.3
97.02956	2.9
99.00890	0.8
101.02457	3.7
105.03477	0.4
105.05926	0.4
107.01399	0.7
107.05046	0.7
108.02177	2.6
109.02969	11.2
111.00928	0.7
111.04502	0.5
113.02455	2.6
116.92899	0.7
117.03453	0.5
119.03535	0.9
119.05048	1.6
121.02999	3.7
122.03773	5.5
123.00900	0.6
123.04546	9.7
123.08112	0.4
124.01695	2.2
125.02472	6.1
129.01945	0.6
133.03011	0.6
134.03757	0.6
135.04529	3.7
136.01698	0.8
137.01431	0.8
137.02467	14.5
138.03226	0.9
139.04013	2.5
145.02948	2.6
146.03726	1.4
147.04564	0.5
149.02461	4.2
149.05992	0.7
150.03210	1.6
151.00429	2.3
151.04013	5.2
152.00798	0.5
153.01956	1.0
154.02783	1.0
155.10760	0.6
159.04520	3.0
160.01656	0.6
161.02478	3.8
161.06117	7.0
161.09721	0.6
162.03191	1.5
163.00375	0.7
163.04034	2.7
164.01163	4.1
164.04564	0.5
165.01942	16.4
165.05560	1.3
165.32159	0.5
166.02612	0.9
168.00613	0.4
169.01416	0.4
172.05272	0.5
173.06052	1.4
174.03188	0.4
175.04012	2.0
175.07664	0.7
177.01913	1.2
177.05580	1.6
178.02701	0.7
178.99861	0.7
179.03506	2.9
179.10818	0.9
187.04036	5.4
188.04779	2.1
189.05588	0.8
191.05611	0.5
191.07179	0.7
201.05545	3.2
202.06343	2.9
203.03569	0.7
203.07130	8.9
204.04337	0.7
204.07562	0.9
205.05051	8.0
205.06810	0.7
205.08704	0.6
206.05516	0.5
215.03439	0.5
215.07126	1.1
226.06349	1.0
229.05075	0.5
231.02959	0.6
233.08162	0.6
233.15431	0.8
243.06654	1.3
244.07353	3.4
245.08040	0.6
247.06081	1.1
258.35379	0.4
259.06094	2.8
261.14856	1.0
265.07181	0.8
269.04553	0.5
270.05197	0.6
271.06186	1.1
273.14935	0.9
281.48257	0.5
285.04102	0.7
287.05585	5.1
288.06158	1.0
289.07126	0.7
301.14456	0.6
341.08905	0.4
355.19363	0.5
379.19293	1.4
381.21054	1.1
397.20322	1.1
425.19894	0.7
439.19543	1.9
441.18945	1.3
451.19733	5.4
452.19852	0.6
453.21344	0.5
473.17068	0.5
493.20395	0.6
506.15329	0.6
535.24683	0.5
559.25403	3.9
560.25848	0.9
566.30396	0.4
567.17218	0.5
603.24518	100.0
604.24823	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	603.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.5
58.13136	0.4
59.01380	7.8
61.98832	19.8
63.02396	1.8
63.99264	0.5
65.00322	11.4
68.63143	0.4
68.69749	0.3
71.01383	3.8
71.66143	0.5
72.03653	0.3
73.02962	1.4
75.00880	0.7
75.04717	0.4
78.95918	0.5
81.03459	0.4
83.01398	7.5
83.01868	0.5
85.02967	1.6
87.00871	0.6
88.98824	2.2
89.02455	3.0
93.03478	1.5
95.01415	0.7
97.02995	0.7
101.02468	2.9
107.01402	18.3
107.05043	0.5
108.01731	0.9
109.02968	3.3
109.06609	1.6
111.00902	0.3
113.02434	2.3
116.92865	1.2
119.03517	1.1
119.05051	1.8
121.02986	1.0
123.04540	1.6
124.01669	0.6
125.02464	22.6
126.02802	0.7
127.07659	3.5
128.66615	0.3
129.01959	0.5
131.01387	0.7
133.02943	2.2
133.06563	0.4
134.03772	0.6
135.04541	65.3
136.04861	3.8
137.02452	2.8
139.04027	0.5
145.02974	1.3
149.02429	1.1
149.06171	0.5
151.00389	100.0
151.07605	0.6
152.00719	4.7
159.04518	0.6
161.02461	8.0
161.04532	0.8
162.02844	0.4
163.04019	0.7
163.07654	0.5
164.01158	0.4
165.01997	2.3
167.03542	0.4
168.00661	0.5
169.00287	0.4
169.01482	3.1
171.06636	3.3
175.00420	2.5
175.04039	0.6
177.01955	2.6
177.04060	0.6
177.05577	7.2
178.05931	0.6
179.05634	0.7
190.13316	0.4
191.03470	0.5
191.05682	0.5
193.01393	1.0
193.08746	0.6
195.06604	1.9
201.05704	0.4
203.03618	0.4
209.08217	0.5
211.07684	0.5
217.01460	0.4
219.06516	2.2
237.07587	2.2
255.03033	0.4
255.08760	0.9
259.06064	1.5
260.06357	0.4
269.04562	1.1
271.06091	3.5
272.06433	0.6
273.06766	0.4
283.02521	0.7
284.03384	0.4
285.04010	1.3
287.05603	66.9
288.05969	6.6
297.09567	0.5
315.10861	11.6
316.11072	1.0
423.29059	0.5
441.13693	2.0
441.19861	0.7
441.30112	11.3
442.14334	0.4
442.30368	1.8
467.11703	2.3
506.15067	0.5
543.28033	1.8
561.28900	1.4
567.11322	0.8
603.16943	27.8
603.24731	1.6
604.17096	6.3
604.24890	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89987	0.3
54.26323	0.3
59.01379	4.4
60.22231	0.4
61.98832	1.4
65.21944	0.3
67.01888	0.5
71.01389	2.3
71.58463	0.4
71.58860	0.6
73.02940	0.6
75.00874	0.6
78.95895	0.4
85.02972	0.8
87.00856	0.7
88.98818	1.7
89.02452	2.3
93.03464	1.8
95.01392	0.3
96.96007	2.3
96.96978	0.5
97.02950	0.4
99.92626	0.3
101.02451	1.0
102.19581	0.3
108.02201	0.4
109.02963	0.8
113.02462	0.9
116.92890	0.7
118.98179	0.3
119.03498	0.9
121.02971	2.2
122.03751	4.8
123.04493	0.5
125.02450	0.8
129.01959	0.4
133.02982	1.1
135.04573	0.4
136.01680	0.9
137.02460	4.3
137.06096	0.5
145.03030	0.3
147.04469	0.4
148.01567	0.4
149.01431	0.3
149.02444	17.4
150.03235	46.9
151.03720	2.8
153.01933	0.4
153.05611	0.4
161.02458	1.1
163.03981	0.6
164.04791	5.7
165.01939	28.8
165.05571	54.9
166.02208	1.6
166.05894	2.8
167.03514	0.5
167.07176	0.4
169.19720	0.3
177.01898	1.5
177.04089	0.5
179.03500	1.2
179.05682	0.5
180.04285	26.5
181.04732	2.0
183.06659	0.7
185.08179	0.6
191.05638	0.6
192.04240	0.5
195.06621	100.0
196.06958	6.3
210.05397	0.6
225.07655	0.5
243.08714	8.5
244.09062	0.7
284.06885	0.4
289.07278	0.8
301.07230	2.9
301.10477	0.6
302.07550	0.4
315.08649	1.2
316.09473	2.4
331.11838	10.3
332.12247	1.3
379.13962	0.5
387.12714	0.5
391.13959	17.2
392.14310	2.8
421.15048	1.1
439.16046	49.4
440.16412	7.6
478.55832	0.4
503.13861	0.7
553.18939	2.2
554.19366	0.4
601.22913	2.9
602.22900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.96041	0.8
78.95914	0.6
84.38315	0.3
93.98975	0.3
98.20029	0.3
101.40355	0.3
116.72024	0.3
122.20930	0.3
127.37454	0.3
138.44783	0.3
307.27774	0.3
322.75339	0.3
462.97620	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.2
59.01380	8.4
60.23308	0.6
61.98832	22.2
65.00330	2.6
68.99789	0.8
71.01387	7.0
71.65941	0.8
72.99309	1.1
73.02949	1.3
75.00876	1.9
78.95914	1.7
81.03465	2.8
83.01403	6.5
85.02969	4.0
87.00888	1.2
88.98832	1.0
89.02438	3.6
93.03468	5.2
95.01366	1.6
95.05031	1.2
96.96031	7.6
96.96989	2.1
97.02967	1.4
99.00894	1.9
101.02460	4.4
104.79449	0.5
107.01393	4.7
107.05087	0.7
108.02174	0.7
109.02950	3.1
111.00900	1.0
113.02472	3.9
115.92072	1.4
116.92880	1.6
117.03493	3.3
119.03574	0.9
119.05034	8.8
121.02976	2.5
122.03794	1.1
123.04550	3.0
124.01686	2.1
125.02464	55.7
126.02798	2.1
131.05028	1.0
133.02963	3.6
133.06586	6.1
134.03809	1.2
135.00938	0.6
135.04568	3.8
137.02464	4.9
139.04002	1.5
145.02966	13.8
145.06674	1.3
146.03427	0.8
149.02463	2.9
150.03246	1.1
151.00392	12.6
151.04008	1.5
152.01202	3.7
153.01941	5.8
155.10773	1.0
157.06613	1.7
158.03735	0.8
159.04510	1.9
161.02420	2.6
161.04674	1.1
161.06065	3.2
161.09732	1.3
163.00383	1.2
163.04039	5.5
164.01181	1.1
165.01974	4.8
165.03957	0.7
165.05510	0.8
167.03493	0.8
169.01305	1.1
172.05287	2.6
173.04683	0.8
173.06090	7.2
175.00354	0.8
175.03970	3.1
176.01227	1.8
177.01999	1.7
177.05597	6.9
178.99876	5.4
179.03510	2.1
179.10786	1.9
185.06056	0.8
187.04037	1.7
187.07611	1.6
191.03592	0.6
191.07037	1.0
193.01468	0.7
193.05003	0.7
195.06697	0.8
197.06049	1.3
199.03929	0.7
199.07654	2.5
200.04744	0.7
201.05563	5.9
203.03423	1.5
203.07140	2.8
205.05057	4.2
214.06310	0.8
215.07133	10.7
216.07529	0.7
217.08635	0.9
219.06575	1.7
233.08153	1.9
235.06110	2.3
237.07553	0.6
239.05591	0.9
241.05052	1.1
243.06599	10.5
244.07144	1.0
247.05981	0.9
259.06100	67.2
260.06384	5.1
265.07141	3.5
269.04520	8.0
270.04633	0.7
271.06067	3.4
283.06110	3.4
285.04037	1.3
287.05603	100.0
288.05942	10.1
289.07181	1.1
295.12042	1.1
299.08054	0.8
301.07172	1.3
307.08273	1.8
311.05402	1.2
315.10895	2.5
385.26718	0.8
441.19183	0.9
455.16254	0.8
473.15628	0.9
506.15637	1.3
541.17596	1.4
575.17859	4.9
576.18262	0.9
585.15948	3.2
603.17389	17.4
603.24951	8.3
604.16644	3.9
604.26239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83912	0.6
53.97059	0.6
55.01869	0.6
57.03429	0.9
58.00586	0.6
59.01376	15.5
61.98833	6.6
68.99810	1.0
69.03449	0.7
71.01380	14.2
71.36370	1.3
72.99297	1.7
73.02950	2.8
75.00882	4.6
78.95871	0.6
83.01379	1.6
85.02947	5.4
87.00874	1.9
87.17007	0.6
88.57739	0.6
88.98820	0.6
89.02455	6.5
93.03457	1.9
95.01428	0.8
97.02979	0.9
99.00880	2.0
101.02459	8.7
102.02785	0.6
106.11990	0.7
109.02957	0.8
113.02438	4.8
113.34791	0.7
118.41433	0.6
118.98122	0.7
119.03493	1.8
119.04974	0.8
119.19051	0.6
125.02439	2.0
129.01930	1.0
133.02925	1.0
135.04550	1.2
137.02454	2.6
145.02956	1.4
150.03236	1.4
151.00369	0.7
158.03723	0.8
159.04543	3.5
160.01624	1.1
161.02458	1.9
161.06070	0.8
163.06078	1.1
165.05576	1.9
171.04585	0.7
172.05293	6.6
173.06033	1.6
175.04025	4.5
177.04047	2.4
179.03442	0.7
179.05630	0.7
179.10760	1.9
181.07161	5.2
183.04512	1.5
185.06073	1.3
186.06807	1.1
187.04124	3.2
187.07655	57.2
188.07980	4.0
189.01906	1.4
189.05595	14.9
191.05595	0.7
195.05099	1.1
199.03996	2.6
200.04758	3.8
201.05461	1.9
202.06323	1.4
203.03514	1.0
203.10774	0.8
204.04272	1.2
211.04010	0.9
211.07564	1.1
213.09241	4.4
215.07130	14.3
216.07454	1.1
227.03514	4.3
228.04228	3.2
229.08780	3.5
230.05695	0.9
231.06615	41.0
231.10286	2.4
232.03592	0.8
232.06938	2.8
245.08263	1.2
249.06250	1.0
257.08167	28.1
258.08481	2.9
273.07663	19.4
274.08130	1.5
275.09210	1.1
281.06726	0.9
283.02753	0.9
285.04031	0.9
303.08746	2.0
325.10464	2.3
333.09778	11.7
343.12369	4.6
375.10849	2.1
393.12088	1.6
409.15469	0.7
430.16586	1.5
434.40485	0.7
504.14746	0.9
512.19916	0.8
519.19098	1.3
519.68866	0.8
557.18793	100.0
558.19116	17.6
563.14154	0.9
565.12292	1.0
566.12793	0.8
583.20367	2.6
600.72107	0.8
601.21552	47.8
601.72839	2.1
602.21722	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	601.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83912	0.6
53.97059	0.6
55.01869	0.6
57.03429	0.9
58.00586	0.6
59.01376	15.5
61.98833	6.6
68.99810	1.0
69.03449	0.7
71.01380	14.2
71.36370	1.3
72.99297	1.7
73.02950	2.8
75.00882	4.6
78.95871	0.6
83.01379	1.6
85.02947	5.4
87.00874	1.9
87.17007	0.6
88.57739	0.6
88.98820	0.6
89.02455	6.5
93.03457	1.9
95.01428	0.8
97.02979	0.9
99.00880	2.0
101.02459	8.7
102.02785	0.6
106.11990	0.7
109.02957	0.8
113.02438	4.8
113.34791	0.7
118.41433	0.6
118.98122	0.7
119.03493	1.8
119.04974	0.8
119.19051	0.6
125.02439	2.0
129.01930	1.0
133.02925	1.0
135.04550	1.2
137.02454	2.6
145.02956	1.4
150.03236	1.4
151.00369	0.7
158.03723	0.8
159.04543	3.5
160.01624	1.1
161.02458	1.9
161.06070	0.8
163.06078	1.1
165.05576	1.9
171.04585	0.7
172.05293	6.6
173.06033	1.6
175.04025	4.5
177.04047	2.4
179.03442	0.7
179.05630	0.7
179.10760	1.9
181.07161	5.2
183.04512	1.5
185.06073	1.3
186.06807	1.1
187.04124	3.2
187.07655	57.2
188.07980	4.0
189.01906	1.4
189.05595	14.9
191.05595	0.7
195.05099	1.1
199.03996	2.6
200.04758	3.8
201.05461	1.9
202.06323	1.4
203.03514	1.0
203.10774	0.8
204.04272	1.2
211.04010	0.9
211.07564	1.1
213.09241	4.4
215.07130	14.3
216.07454	1.1
227.03514	4.3
228.04228	3.2
229.08780	3.5
230.05695	0.9
231.06615	41.0
231.10286	2.4
232.03592	0.8
232.06938	2.8
245.08263	1.2
249.06250	1.0
257.08167	28.1
258.08481	2.9
273.07663	19.4
274.08130	1.5
275.09210	1.1
281.06726	0.9
283.02753	0.9
285.04031	0.9
303.08746	2.0
325.10464	2.3
333.09778	11.7
343.12369	4.6
375.10849	2.1
393.12088	1.6
409.15469	0.7
430.16586	1.5
434.40485	0.7
504.14746	0.9
512.19916	0.8
519.19098	1.3
519.68866	0.8
557.18793	100.0
558.19116	17.6
563.14154	0.9
565.12292	1.0
566.12793	0.8
583.20367	2.6
600.72107	0.8
601.21552	47.8
601.72839	2.1
602.21722	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	600.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.3
61.79025	0.1
61.98828	100.0
62.98539	0.2
62.99260	0.1
71.01395	0.2
71.32311	0.1
78.95923	0.1
82.83556	0.1
85.02944	0.1
88.98814	0.1
89.02452	0.1
96.96957	0.1
101.02442	0.1
105.60342	0.1
113.02445	0.1
119.05054	0.1
125.02466	0.2
137.02448	0.1
151.00392	0.2
161.04536	0.1
171.10295	0.8
172.10667	0.2
175.04042	0.1
209.11830	0.4
210.12280	0.2
211.13371	0.2
253.09169	0.1
271.03543	0.1
271.06076	0.4
289.07144	0.1
315.01361	0.1
439.17694	0.1
566.12848	0.1
601.15967	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
58.35393	0.2
59.01374	2.2
60.74707	0.2
61.98827	15.8
63.02397	1.8
63.99263	0.5
65.00317	6.8
66.00658	0.2
67.01840	0.2
69.03464	0.3
69.33168	0.9
69.33604	1.5
70.02937	0.3
70.14243	0.2
71.01377	1.7
72.99320	0.3
73.02948	0.6
75.00853	0.4
78.95914	0.4
80.48185	0.3
81.03472	0.3
83.01385	5.0
83.01877	0.3
85.02948	0.7
87.00902	0.3
87.04607	0.3
89.02459	0.7
93.03458	5.5
95.01398	0.4
97.02965	0.3
98.13641	0.2
98.20611	0.3
99.00867	0.3
101.02467	0.6
107.01396	11.4
109.02993	0.7
112.04039	1.1
113.02483	0.4
116.92877	0.4
117.03485	0.8
119.05034	24.3
120.05372	1.4
121.02946	0.8
122.06053	0.3
123.04545	0.6
124.01674	0.5
124.04047	0.8
125.02461	4.3
125.72595	0.2
131.01407	1.0
133.02986	0.4
135.00870	0.5
135.04527	1.7
136.01634	0.3
136.04890	0.3
137.02449	1.7
139.04037	0.3
143.05069	0.5
145.02954	3.2
147.21584	0.2
149.02457	0.9
149.99634	0.3
151.00381	41.1
152.00711	2.3
155.10837	0.5
157.06500	0.3
161.02475	1.1
161.04707	0.3
161.06111	0.9
163.04083	0.5
164.01199	0.6
165.01932	2.4
166.05093	13.2
167.05455	0.8
168.00676	0.5
169.01445	1.6
175.00381	3.0
175.04005	0.6
176.00737	0.3
177.01947	4.5
178.02437	0.6
178.99873	0.3
179.03508	0.9
184.06236	1.4
185.06038	1.2
187.03975	1.5
189.01912	0.8
191.05629	0.6
193.01443	1.0
199.09682	0.4
208.06148	1.1
217.01427	0.2
226.07317	0.4
227.07176	1.7
228.07452	0.3
229.05046	0.6
238.16641	0.2
243.06668	0.2
257.08157	0.3
258.01511	0.2
269.01035	0.3
269.04349	0.3
271.06082	100.0
272.06421	11.0
285.03946	0.4
285.07477	0.3
286.09378	0.3
287.05508	1.3
288.05951	1.1
289.07129	0.3
295.06140	2.9
296.06586	0.4
297.00363	0.3
313.07169	1.2
315.01453	0.8
328.10361	4.4
329.10748	0.5
367.07901	0.3
369.06320	0.5
373.26025	0.6
395.07730	0.5
433.11371	1.3
480.11023	0.3
503.08060	0.4
504.14688	0.9
534.20679	0.3
537.31708	0.5
583.13452	0.3
600.16705	3.0
600.25458	0.4
601.15820	2.3
601.25342	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55753	0.5
55.35267	0.5
55.64132	0.6
57.03442	1.8
59.01381	6.9
61.98830	41.6
62.84742	0.5
65.00294	0.7
69.03439	1.2
71.01385	8.1
72.99284	0.5
73.02945	2.4
75.00872	0.7
78.95922	0.7
81.03448	2.0
83.01390	1.3
83.05051	0.8
85.02952	5.7
87.00889	0.8
87.04514	3.7
88.98791	1.9
89.02450	2.2
93.03474	3.0
95.01394	3.2
96.96016	1.1
97.02950	0.5
99.00877	1.3
101.02454	5.1
108.02187	53.2
109.02980	30.7
111.08167	1.0
113.02460	3.0
114.74210	0.5
116.92827	0.7
117.03495	0.7
119.03508	1.0
119.05021	2.3
121.02983	3.6
123.00925	2.4
123.04510	1.9
124.01611	0.8
125.02457	3.5
133.03036	1.2
134.03775	1.0
135.00912	0.7
135.04529	2.4
137.02460	2.4
139.11250	0.9
145.02969	2.5
147.04532	0.8
149.99646	0.8
151.00407	3.6
151.04114	2.4
152.01170	60.0
153.01973	19.6
154.02324	1.1
155.10788	2.4
160.01666	0.9
161.02425	1.5
161.04565	1.9
163.03978	2.4
165.01935	2.1
165.12885	5.8
167.03500	0.9
168.00671	1.0
171.10297	5.3
175.04022	1.8
176.04453	0.6
177.01913	2.0
179.03481	0.8
183.10233	1.9
183.13919	6.4
189.01949	1.8
191.05608	1.1
193.05099	1.1
199.09782	0.8
205.05051	1.0
209.11856	5.6
217.01442	1.7
227.12885	1.6
235.06123	0.7
241.04912	0.6
257.20319	0.6
271.06085	1.7
285.04367	0.7
287.05463	0.7
289.07056	1.7
311.05170	0.6
315.07199	10.1
316.07938	1.0
341.06680	1.5
393.06015	1.0
435.10764	1.4
451.20428	1.0
487.10202	0.7
491.13290	0.5
507.17966	0.6
525.20337	0.7
539.27191	2.1
581.14545	2.2
582.14569	0.6
599.23438	100.0
600.23700	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	599.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.9
59.01375	7.0
61.98828	47.6
65.00312	0.6
68.99824	0.6
69.03458	1.4
71.01387	10.2
71.64404	0.9
72.99335	0.6
73.02954	3.4
78.95904	1.4
81.03466	1.9
83.01405	2.4
83.05031	1.2
85.02954	7.1
87.00887	1.0
87.04515	5.7
88.98804	0.8
89.02460	2.4
93.03467	2.8
95.01411	3.6
96.96000	0.9
97.02951	1.3
98.20245	0.8
99.00905	1.3
101.02457	4.6
107.01397	1.1
107.05048	0.6
108.02186	64.6
109.02979	34.3
110.03305	0.9
111.08178	1.0
113.02490	4.1
119.03481	0.7
119.05024	2.4
121.02963	3.9
123.00887	3.4
123.04504	1.5
125.02472	3.8
133.02948	1.2
134.03769	0.9
135.00946	1.1
135.04568	2.8
136.04823	0.9
137.02452	2.3
137.09749	1.1
145.02975	2.3
149.06024	0.7
151.00363	2.9
151.04057	2.7
152.01166	72.1
153.01970	22.2
154.02226	1.0
155.10751	2.6
159.02939	0.6
160.01688	1.0
161.02399	1.1
161.04553	2.3
161.05826	0.6
163.04012	3.3
165.01912	1.7
165.05629	0.8
165.12874	6.6
168.00652	0.8
171.10281	2.7
173.04488	0.9
175.04005	2.1
177.01953	1.5
177.04077	0.5
178.99881	0.7
181.12450	0.7
183.10272	1.2
183.13910	6.9
184.14175	0.8
189.01923	1.0
191.05620	1.6
193.05028	1.5
199.09686	0.8
205.05280	1.0
209.11809	3.8
214.95203	0.5
215.07246	0.7
217.01372	1.7
225.04047	0.7
227.12920	1.4
231.02832	0.7
255.03133	0.5
259.59894	0.5
271.05957	1.7
285.04056	0.9
287.05630	0.9
289.06854	1.1
301.16647	0.9
315.07193	10.9
316.07336	1.4
341.06677	1.1
393.05927	1.7
401.12436	0.8
435.10721	1.0
451.20953	1.5
507.19156	1.1
516.29480	0.5
525.19714	1.9
539.26843	3.8
540.26727	0.7
560.93335	0.6
599.23438	100.0
600.23773	23.5
614.32489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	6.4
59.01376	30.0
60.01730	1.2
61.98833	18.4
65.31552	1.0
68.99802	1.5
69.03447	3.2
70.04079	6.1
71.01385	26.4
72.01681	1.6
72.99310	5.1
73.02953	3.9
75.00881	29.4
78.42166	1.1
83.01382	2.9
85.02955	14.4
87.00898	8.1
88.98821	3.2
89.02465	8.7
93.03481	1.7
95.01423	1.7
97.02980	4.5
99.00876	7.0
101.02461	7.1
104.95980	1.3
106.29014	1.1
109.02969	17.3
111.00887	1.3
113.02454	8.6
115.68570	1.1
117.01948	1.7
119.03549	1.7
119.05048	1.6
121.02982	15.5
129.01979	11.1
137.02493	2.2
139.11296	9.6
141.01990	3.1
151.04004	1.2
153.01959	4.6
155.10789	2.3
159.03030	4.6
161.02463	3.2
163.11368	1.2
165.01939	2.4
168.98886	1.2
177.04068	33.7
178.04451	1.3
181.12286	5.7
183.10265	14.2
195.05157	6.1
199.09680	1.1
225.11327	7.1
231.06660	3.4
243.12401	14.2
244.12646	1.4
249.06146	2.4
249.97017	1.1
255.02953	1.9
257.04425	1.3
257.08270	1.4
273.03760	2.1
274.04822	1.3
285.13446	3.0
300.02573	1.5
302.03506	2.6
303.03647	1.9
348.17197	1.7
349.17682	2.2
364.51334	1.3
403.16061	3.7
419.09906	1.3
421.17264	4.6
435.09695	3.6
437.11163	2.8
504.17215	2.8
536.19885	2.3
537.15845	1.4
581.21100	16.9
582.21393	2.4
599.23035	100.0
600.23413	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	599.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13431	0.1
59.01372	0.4
61.98517	0.2
61.98829	3.1
63.02075	0.2
63.02396	2.3
65.00323	6.0
66.00668	0.1
71.01382	0.3
79.01868	0.2
81.73169	0.1
83.01395	3.7
84.01704	0.1
85.12389	0.1
91.01919	0.1
93.03465	6.0
94.03798	0.3
97.02999	0.1
101.02488	0.1
107.01401	11.5
108.01709	0.3
108.02296	0.2
108.99319	0.1
109.02944	0.2
117.03461	0.4
119.05038	27.4
120.05370	1.2
121.02969	0.4
125.02453	1.1
131.01393	0.3
133.02942	0.2
135.00891	0.2
136.01678	0.2
137.02461	0.4
137.45898	0.1
141.18817	0.1
143.05016	0.2
145.02975	1.3
149.02448	0.1
151.00385	37.3
152.00723	1.6
157.06654	0.1
161.02423	0.1
161.06070	0.4
163.00449	0.1
163.04024	0.1
164.01152	0.3
165.01935	1.9
166.02194	0.1
169.01437	1.5
171.10275	0.4
175.00388	1.2
177.01938	5.6
178.02286	0.3
179.03534	0.1
185.06070	0.5
186.06476	0.1
187.03981	0.8
189.01816	0.1
193.01422	0.8
209.11815	0.4
219.02965	0.1
227.07117	0.8
229.05006	0.3
253.04918	0.2
271.06088	100.0
272.06424	9.8
285.07571	0.2
295.06100	1.5
296.06561	0.2
313.07187	2.0
314.07401	0.2
352.79800	0.1
403.75208	0.1
432.62405	0.1
479.15747	0.3
599.20734	2.0
600.21082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.3
57.03446	1.6
59.01377	9.2
59.46404	0.3
60.99284	0.4
61.98829	24.4
62.98547	0.3
68.99797	0.3
69.03460	0.6
69.52189	0.9
69.52608	1.0
71.01388	6.5
72.99310	1.1
73.02941	1.1
75.00877	6.8
83.01395	0.8
84.02157	0.2
85.02957	3.7
86.03249	0.2
87.00879	2.9
88.98811	2.7
89.02438	2.2
93.03489	0.5
95.01389	0.6
97.02980	1.3
99.00896	1.8
101.02448	2.6
108.02222	0.3
109.02975	2.0
111.00910	0.6
113.02458	1.5
115.04000	0.3
119.03514	0.6
119.05028	0.3
121.02961	1.7
123.04493	0.3
125.02474	0.6
129.01958	3.2
133.02914	0.2
135.79179	0.3
137.02454	0.9
137.09668	0.3
139.11328	2.7
141.01944	0.7
145.03014	0.2
146.03769	0.3
147.04494	0.8
149.02534	0.3
152.01254	0.3
153.01947	2.8
155.10767	0.6
159.03062	1.4
161.02493	0.5
161.04597	0.4
161.05962	0.4
165.01967	0.3
165.05557	0.4
174.03250	0.5
177.04060	12.5
178.04439	0.3
179.07085	0.3
181.12355	1.8
183.10280	3.7
189.05577	100.0
190.05910	6.6
192.99741	0.3
195.05081	1.6
199.13446	0.6
201.11366	0.3
209.04561	0.8
225.11325	1.9
243.12367	3.7
285.13324	0.6
315.07214	0.8
361.14944	0.3
403.16052	1.2
421.17178	2.3
435.09189	3.1
436.09882	0.5
451.17889	0.3
513.15961	2.4
514.16125	0.5
515.97382	0.2
523.20306	0.5
527.16882	0.3
537.23474	0.2
555.17212	4.9
555.25616	0.3
556.17743	1.1
581.20923	5.3
582.21442	0.4
599.21985	27.8
600.22522	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	598.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
59.01376	1.1
59.75098	0.1
61.98826	100.0
62.98532	0.3
63.99260	0.2
65.00322	0.3
71.01384	0.6
71.64522	0.2
72.99323	0.2
73.02966	0.2
75.00865	0.6
78.95918	0.2
80.22250	0.1
81.03474	0.1
83.01382	0.3
85.02965	0.3
87.00858	0.1
88.98801	0.6
89.02442	0.3
93.03461	0.6
95.01398	0.2
96.96024	0.4
96.96996	0.1
97.02967	0.1
99.00854	0.2
101.02461	0.4
107.01402	0.4
108.02198	0.4
109.02974	0.5
111.00892	0.2
113.02468	0.4
116.92853	1.3
117.03448	0.1
119.03508	0.1
119.05029	0.7
121.02972	0.4
122.03736	0.2
122.06123	0.2
123.00849	0.1
123.04534	0.4
124.01699	0.2
125.02463	1.4
126.02817	0.3
133.03030	0.2
134.57741	0.1
135.04547	0.4
137.02452	0.9
139.00377	0.2
145.02988	0.5
146.03409	0.1
149.02408	0.1
149.99614	0.2
150.03197	0.2
151.00385	1.1
151.04021	0.4
152.01085	0.3
153.01955	0.4
155.10854	0.2
160.01599	0.1
160.04045	0.1
161.02422	0.4
163.04025	0.3
165.01947	0.5
165.05573	0.3
167.03410	0.1
168.00664	0.3
169.01265	0.1
173.04497	0.1
173.05882	0.1
175.04065	0.3
177.01964	0.4
177.05647	0.1
178.99901	0.2
179.03535	0.2
179.05656	0.1
185.06190	0.1
187.07715	0.2
189.01953	0.3
189.05682	0.1
190.02676	0.2
191.03700	0.1
195.06641	0.1
196.28798	0.1
199.09770	0.2
205.05019	0.1
209.11882	0.3
215.07178	0.2
216.07570	0.1
217.01443	0.3
255.02985	0.1
259.06137	0.6
260.06488	0.7
261.06577	0.5
262.06796	0.2
271.06116	2.0
272.02927	0.2
272.06488	0.3
285.03922	0.2
287.05679	0.3
288.05930	0.5
289.06424	0.4
290.06464	0.3
301.03244	0.2
341.06796	0.4
343.12308	0.1
359.14511	0.1
373.25983	0.1
375.27557	0.5
376.27902	1.0
377.28415	0.1
403.14206	0.1
435.10815	0.2
450.27853	0.2
487.10388	0.3
523.72766	0.1
535.31281	0.2
566.46051	0.1
570.16217	0.4
581.14856	0.3
598.24469	0.2
598.34473	0.3
599.12903	0.5
599.22144	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01375	4.7
60.99310	0.3
61.98827	100.0
69.03475	0.4
71.01386	3.1
71.58609	0.2
72.01739	0.1
72.99321	0.6
73.02943	0.7
75.00869	3.1
81.03455	0.2
83.01386	0.3
84.02164	0.2
85.02951	2.0
86.03271	0.2
87.00884	1.2
88.98807	1.6
89.02441	1.3
92.23056	0.2
92.92331	0.2
93.03466	0.5
95.01375	0.2
96.97010	0.2
97.02966	0.6
99.00860	0.8
101.02457	1.5
103.00364	0.2
108.78962	0.2
109.02954	0.9
111.00882	0.2
111.53344	0.1
113.02453	1.2
114.02813	0.2
115.00375	0.2
116.92831	0.2
119.03522	0.3
120.17953	0.1
121.02988	0.9
121.03761	0.2
123.04573	0.2
125.02480	0.3
129.01947	1.3
137.02464	0.6
137.09735	0.2
139.11304	1.0
141.01991	0.4
143.03569	0.2
147.04518	0.2
149.02388	0.2
151.04025	0.2
153.01906	0.5
155.10779	1.8
156.11067	0.8
159.03011	0.5
161.04602	0.2
163.04005	0.3
173.04591	0.2
174.03175	0.2
176.71054	0.2
177.01825	0.2
177.02434	0.3
177.04056	4.5
179.07262	0.2
181.12326	0.4
183.10262	1.6
189.05574	33.3
191.05586	0.2
195.05074	0.8
195.06654	0.2
197.11681	0.2
199.09799	0.5
199.13437	0.4
200.10091	0.2
209.04599	0.3
209.08203	0.2
209.30746	0.2
223.44189	0.2
225.11330	0.8
243.12363	1.4
249.06160	0.3
285.13492	0.2
289.07187	0.2
341.06708	0.3
342.07025	0.3
403.16205	0.3
421.17007	0.5
435.09729	0.9
436.11108	0.7
449.16718	0.4
450.16852	1.6
451.17374	0.4
513.16125	1.0
523.20325	0.3
538.28363	0.7
555.16907	1.8
581.20850	2.1
598.21307	1.9
599.21869	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	598.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35915	0.1
57.03462	0.2
58.58337	0.1
59.01101	0.2
59.01382	2.3
60.01699	0.1
60.99307	0.1
61.98830	100.0
62.98541	0.3
63.99262	0.4
65.00322	0.2
69.03458	0.2
71.01392	1.1
71.56844	0.2
72.99323	0.1
73.02966	0.4
75.00865	0.3
78.95924	0.5
79.56815	0.1
83.01416	0.2
85.02983	0.4
87.00860	0.2
88.98830	0.4
89.02452	0.3
93.03465	0.9
96.96023	2.3
96.96947	0.7
97.02985	0.2
99.04568	0.1
101.02474	0.5
102.02740	0.1
107.01424	0.4
107.05044	0.1
108.02229	0.3
109.02982	0.4
113.02458	0.4
117.03467	0.3
119.05035	1.0
120.05438	0.2
121.03001	0.3
123.04566	0.2
125.02468	0.5
133.03017	0.6
134.03761	0.2
135.00902	0.2
135.04524	0.6
136.04959	0.2
137.02464	0.9
138.02805	0.2
139.04062	0.1
143.03532	0.1
145.02974	0.7
151.00398	1.5
151.04045	0.4
152.01176	0.2
153.01991	0.1
155.10823	0.4
160.01755	0.3
161.02463	3.0
161.04611	0.2
161.06041	0.2
162.02791	0.2
163.04042	0.4
165.01898	0.1
165.05551	0.2
167.03485	0.2
168.00632	0.2
171.10298	0.2
175.04039	0.4
177.02016	0.3
178.99838	0.2
179.03552	0.3
189.01993	0.3
190.02803	0.2
191.05635	0.2
193.05087	0.2
199.09856	0.2
201.11287	0.2
217.01411	0.2
243.80327	0.1
257.08182	0.1
271.06104	2.1
273.20676	0.1
285.04071	0.4
287.05722	0.3
341.06638	0.7
377.28757	0.1
501.13806	0.2
534.65045	0.1
535.24768	2.7
535.31744	1.0
536.26007	0.5
536.32983	0.2
598.13165	0.5
598.22070	0.2
598.30084	0.1
599.13940	0.3
599.23077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60801	0.3
55.01860	0.9
57.03433	1.6
58.00608	1.0
59.01378	21.7
61.98833	5.1
68.99824	0.9
69.03451	1.0
71.01385	20.6
72.01715	0.5
72.99312	4.9
73.02947	1.8
75.00470	0.7
75.00877	11.0
83.01387	1.5
85.02956	14.4
86.03294	0.5
87.00883	4.6
88.86745	0.4
89.02451	9.4
93.03448	0.8
95.01385	3.9
98.19856	0.7
99.00890	6.1
101.02455	6.1
103.00384	1.1
109.02965	0.9
111.00864	0.9
111.04512	0.5
113.02467	15.3
113.03265	0.9
114.02784	0.5
115.00383	1.5
116.92854	0.9
117.01936	1.5
119.03518	2.1
123.04543	0.5
125.02460	0.4
129.01917	1.2
131.03493	0.7
134.06107	0.4
135.19548	0.4
137.02458	1.2
137.09731	0.7
141.15773	0.3
149.04576	0.9
151.03979	0.6
155.10802	3.4
157.01421	0.6
165.01962	1.0
167.09367	0.5
167.10785	6.3
168.11087	0.4
169.12186	0.6
175.02515	1.2
177.01855	0.4
177.04124	0.7
179.03496	0.4
180.04366	0.5
185.11800	3.3
189.01909	0.5
195.06590	0.7
195.80635	0.4
199.09703	0.8
204.13672	0.4
205.07132	0.4
217.01331	1.0
225.07690	0.9
231.05141	0.6
243.02771	0.7
249.06146	6.3
250.06548	0.5
255.03024	1.8
256.03317	1.2
257.03467	0.9
263.50162	0.4
267.07178	1.2
271.02393	3.1
272.02890	2.2
273.02991	3.1
281.06696	0.8
284.02646	0.5
286.03705	0.5
300.02676	4.0
301.03156	4.0
302.03314	5.4
303.03699	0.8
329.16080	1.0
334.36359	0.4
341.06641	2.4
347.17136	10.7
348.17380	1.4
433.11066	0.5
435.10776	2.8
449.16553	0.7
503.16684	1.6
535.19507	1.1
579.23236	1.3
597.13971	8.1
597.23969	100.0
598.14795	1.1
598.24329	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	597.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14249	1.3
53.59622	1.2
55.01868	1.7
57.03447	8.9
58.00586	3.3
59.01375	86.4
60.01723	1.6
61.05240	1.4
61.98809	4.2
65.00293	1.5
66.50114	1.3
69.03448	2.1
69.84124	5.1
69.84533	3.2
70.82748	1.2
71.01384	62.9
72.01721	1.8
72.99298	5.1
73.02941	8.1
75.00867	4.8
81.03448	2.5
83.01375	5.1
85.02953	15.7
87.00870	12.7
89.02445	63.5
93.03475	3.4
95.01403	3.0
95.46611	1.4
95.68163	1.2
97.02952	3.0
99.00861	8.2
101.02451	34.0
108.02174	2.4
109.02948	4.4
111.00874	4.8
113.02454	16.2
116.67537	1.3
119.03518	8.6
119.05035	1.6
121.02949	2.2
122.03699	2.7
123.00878	3.2
123.04520	3.1
125.02435	5.8
128.03557	1.6
129.01933	4.8
131.03513	51.3
132.03870	1.7
134.07350	3.3
135.08101	1.5
137.02446	4.9
137.09743	3.8
139.07663	2.6
143.03505	3.2
145.02953	3.0
149.02599	8.2
149.04565	39.5
149.09727	30.2
150.03217	25.1
151.00381	3.6
151.03975	4.2
152.01196	2.0
153.09267	10.3
155.10788	6.2
159.04295	1.5
161.02399	2.1
161.04538	4.4
163.04005	1.6
164.04723	3.1
165.05591	24.0
166.02657	2.2
166.05858	2.8
167.10779	39.9
168.11099	1.9
173.00864	3.0
173.02505	1.6
173.04474	2.5
177.01888	3.5
177.03990	3.6
179.03423	1.4
179.05544	4.6
179.07059	2.9
181.05045	2.2
187.04132	1.5
189.01898	6.0
190.02702	1.6
191.03712	2.6
191.05603	36.0
194.05852	1.9
195.06592	11.4
199.09735	2.4
203.03661	1.6
205.05028	1.8
209.08148	1.7
209.11794	2.2
217.01434	6.1
219.02945	2.4
221.08388	1.9
225.14940	4.8
231.03120	1.7
243.15933	2.9
251.07674	3.2
255.06520	1.4
261.04102	1.4
262.04688	1.8
272.02731	1.4
277.06989	2.9
278.07626	1.6
279.61038	1.3
283.61322	1.7
289.06979	2.9
293.08740	5.4
299.01999	2.8
301.02710	3.7
302.03650	1.6
303.03937	2.1
327.12457	2.5
337.09326	7.8
341.06696	12.2
345.77853	1.4
360.34003	1.5
369.13367	1.7
405.21271	33.7
405.26144	1.1
406.21533	3.4
435.10779	20.6
436.10834	3.1
449.16522	5.2
461.14670	5.7
465.08957	1.9
485.15195	1.6
533.16602	2.5
537.25476	100.0
538.25763	19.3
579.17426	7.5
580.17987	2.2
597.19183	36.9
598.18811	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	597.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01371	6.3
61.98829	81.0
62.98534	0.9
63.99257	0.7
71.01396	4.8
71.62016	0.8
72.99314	1.0
73.02948	2.1
75.00869	3.5
81.03465	0.5
83.01402	1.1
85.01838	0.5
85.02506	0.4
85.02956	2.9
87.00880	1.4
88.98814	0.9
89.02448	2.1
93.03464	6.5
95.01377	0.6
95.05047	1.1
96.96009	0.6
97.02970	0.9
99.00866	0.7
101.02467	2.8
108.02180	1.2
109.02968	14.6
113.02460	1.6
116.92827	0.9
117.03481	2.3
119.03517	0.8
119.05022	3.4
121.03005	1.9
123.04536	11.9
123.05374	1.0
124.04871	0.9
125.02435	2.8
129.01955	1.5
133.02963	2.3
135.04541	0.7
137.02461	2.2
137.09715	0.6
139.04066	0.8
143.05104	0.7
145.02968	9.1
147.04552	2.3
149.00656	0.9
149.02444	2.0
150.03264	1.1
151.00380	1.7
151.04022	7.8
152.01112	1.0
153.01950	1.0
155.10785	2.3
159.04521	1.3
161.02481	2.9
161.04706	0.5
161.06076	1.3
162.03159	1.1
163.04015	3.9
164.01086	0.5
165.01949	1.6
167.03554	0.6
168.00627	0.6
173.04433	0.5
175.04024	0.8
176.01166	1.7
177.01932	22.7
177.04121	1.5
178.02263	1.6
179.03452	1.2
179.05551	0.4
179.67137	0.4
185.06154	0.7
187.03990	2.8
188.04771	1.9
189.01929	29.1
190.02705	9.7
191.03513	6.3
192.99734	0.6
195.05099	1.0
199.09691	0.6
203.03491	3.6
203.07176	1.6
205.05054	1.5
209.04523	0.7
211.03853	0.5
211.07622	0.8
213.05507	0.6
216.00659	5.6
217.01413	25.2
218.01826	3.0
219.02975	10.6
220.03304	0.8
222.01657	0.9
225.05556	0.5
227.07094	1.9
229.05066	2.0
229.08594	0.9
231.02950	8.8
232.03557	1.6
233.04562	0.8
241.05002	2.2
243.06548	0.6
245.08185	1.0
254.05804	0.7
255.06618	1.8
263.06491	0.5
264.04129	0.5
265.04956	0.6
268.03717	0.8
269.04510	0.9
269.08057	0.5
270.05206	0.7
271.06082	7.6
272.06363	0.8
281.04523	6.5
282.05023	1.6
283.06097	12.3
284.06519	1.1
289.07178	8.4
290.07559	0.7
297.07703	5.0
300.02704	0.6
304.50848	0.5
311.05588	4.4
313.07434	0.6
313.11566	0.5
323.05450	1.2
341.06659	92.5
342.07028	11.0
360.60376	0.5
387.10773	0.6
421.09137	0.9
433.20660	1.2
435.10825	100.0
436.11169	19.8
453.47839	0.5
503.11917	1.1
537.33374	0.7
559.12317	0.7
597.14929	4.1
597.26324	1.5
597.35284	0.9
598.16425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75541	0.3
57.03452	0.7
59.01378	2.3
61.60317	0.3
61.98829	13.9
67.01903	0.3
69.03448	0.4
71.01375	2.2
71.18044	0.3
72.99318	0.6
73.02953	0.8
75.00850	2.4
77.56223	0.3
83.01402	0.7
85.02946	0.9
87.00887	0.4
88.98824	0.6
89.02441	0.5
93.03468	5.2
95.05031	0.8
97.02963	1.0
101.02446	1.1
105.03476	0.3
107.01435	0.5
108.02186	0.7
109.02967	10.8
110.03278	0.2
111.00876	0.3
113.02444	0.6
113.67271	0.3
117.03477	2.0
119.03558	0.4
119.05031	2.1
121.02959	1.3
122.03752	0.7
123.04537	12.3
124.04860	0.7
125.02454	3.3
133.02946	1.5
135.04529	0.6
136.98996	0.4
137.02446	4.3
139.03986	0.9
145.02968	8.0
146.03247	0.4
147.04572	2.7
149.02429	1.2
150.03239	1.4
151.00441	2.0
151.04025	8.5
152.01128	0.3
152.04350	0.6
153.01953	0.3
153.74396	0.3
155.10768	1.8
159.04520	1.3
161.02415	2.3
161.06096	0.9
162.03181	0.5
163.04010	1.2
164.01160	0.7
165.00171	0.6
165.01917	1.3
167.03500	0.3
168.00584	0.4
168.08121	0.3
175.03964	0.9
176.01160	1.0
177.01944	17.1
178.02278	1.3
179.03473	1.2
183.13892	0.4
185.06046	0.5
185.83185	0.3
187.03998	2.0
188.04739	0.9
189.01939	32.2
190.02676	7.3
191.03490	7.3
192.03868	0.5
195.05170	0.5
201.05559	0.5
203.03505	3.9
203.07117	2.1
204.03851	0.4
205.05135	1.6
206.96068	0.3
211.03995	0.3
216.00638	6.5
217.01413	30.4
218.01894	3.1
219.02986	10.3
220.03282	0.7
221.08223	0.6
223.07855	0.6
227.07268	0.5
229.05060	0.8
229.74910	0.4
231.02974	9.2
232.03516	1.1
233.04469	1.1
239.10713	1.7
241.05038	2.6
242.05682	0.3
245.08194	2.5
255.03079	0.3
255.06496	0.4
269.04449	0.7
271.06110	3.3
275.20645	0.3
281.04498	1.7
283.06091	2.8
283.09543	0.7
287.04846	0.4
289.07156	14.3
290.07559	1.3
297.07733	1.7
307.08301	0.4
311.05594	4.2
323.05579	2.0
341.06656	65.2
342.06979	7.5
373.25980	0.7
391.26898	0.7
417.09756	1.0
433.20718	1.2
435.10828	100.0
436.11172	17.7
451.12354	0.8
537.32660	1.7
597.15967	8.6
597.25140	0.7
597.35028	0.9
598.15442	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65905	0.1
57.03439	0.2
59.01377	100.0
60.01719	1.1
60.62283	0.1
61.98831	1.7
65.00327	0.2
69.49771	0.2
69.50172	1.1
71.01382	1.5
72.99311	0.4
73.02967	0.3
75.00874	1.0
82.21201	0.1
83.01400	0.4
83.05044	0.1
85.02956	1.0
87.00902	0.5
88.98817	0.3
89.02472	0.7
93.03481	0.4
95.01431	0.2
96.60585	0.1
99.00901	0.4
101.02445	0.7
107.01375	0.7
109.76643	0.1
113.02460	0.7
115.92080	0.3
116.92912	0.2
119.03517	0.2
119.05028	1.5
119.05676	0.1
120.05383	0.1
121.02985	0.4
125.02486	0.5
129.01956	0.5
131.03542	0.2
137.02486	0.3
137.09827	0.2
139.00417	0.2
141.01968	0.2
145.02986	0.4
151.00407	2.5
151.03972	0.2
153.01970	0.3
155.10811	2.0
159.03165	0.2
161.02551	0.2
165.01991	0.2
177.01955	0.2
177.04099	0.7
177.05354	0.1
178.02780	0.2
178.47375	0.1
179.05775	0.2
193.05144	0.3
195.05132	1.0
196.05437	0.2
199.09760	0.6
222.19022	0.2
243.03090	0.1
249.06100	0.2
255.02994	0.3
259.05957	0.2
271.02621	1.0
271.06165	5.5
272.06433	0.6
273.13409	0.2
287.05692	0.4
300.02789	1.2
301.03595	1.3
302.03748	0.2
358.10693	0.2
370.03262	0.2
373.13031	0.5
390.10205	0.2
395.26053	0.2
403.14191	0.4
417.21280	0.4
433.14996	1.5
434.15387	0.2
449.16541	0.4
474.47824	0.2
485.29169	0.2
503.30054	2.2
504.30481	0.2
515.30219	0.7
516.30878	0.2
533.31427	0.2
535.32715	9.5
536.33215	2.1
579.31604	0.3
595.13660	0.6
595.22729	2.5
595.35065	3.4
596.13025	0.2
596.21899	0.5
596.27081	0.2
596.35193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
61.98830	10.0
69.49416	2.8
71.01392	1.1
72.99337	0.5
75.00877	1.6
83.01408	0.6
85.02966	0.6
87.00881	0.5
88.98813	0.4
89.02460	0.8
93.03464	7.2
93.03996	0.5
95.01448	0.4
95.05041	1.0
97.02934	0.4
98.19923	0.6
99.00896	0.4
100.22873	0.4
101.02461	1.1
105.01985	0.4
108.02245	0.4
109.02966	12.1
110.03313	0.5
117.03505	1.6
119.05044	1.9
121.02952	0.8
122.03764	1.1
123.00983	0.3
123.04543	11.8
124.01689	0.4
124.04856	0.5
125.02450	2.0
128.20158	0.3
129.16301	0.4
133.02983	1.7
135.00890	0.5
135.04543	0.4
137.02455	4.7
138.02776	0.4
145.02962	7.6
146.03369	0.3
147.04552	2.9
148.01700	0.6
149.02457	1.4
150.03203	1.0
151.00415	1.0
151.04025	6.9
151.06009	0.4
152.01196	0.3
152.35672	0.3
159.04512	1.0
161.02487	2.1
161.06081	0.9
162.03148	0.5
163.04022	1.3
165.01947	0.8
165.04106	1.3
168.00598	0.7
175.04013	1.0
176.01189	2.0
177.01935	22.1
178.02275	1.2
179.03592	0.5
187.04002	1.9
188.04747	0.5
189.01939	47.9
190.02684	11.3
191.03503	11.0
192.03882	0.7
201.01942	0.5
203.03508	5.4
203.07079	0.7
205.05096	0.8
213.01976	0.3
215.03610	0.5
216.00653	9.3
217.01408	41.6
218.01917	3.8
219.02977	15.8
220.03291	1.3
227.07071	0.7
229.01491	0.4
229.05035	0.8
229.08745	0.5
231.02972	12.2
232.03484	1.6
233.04532	1.0
239.01610	0.3
241.05093	2.0
243.06479	0.3
245.08240	0.8
255.06595	0.7
269.04520	1.2
271.06012	2.8
281.04434	1.6
283.06116	3.5
287.05582	0.5
289.07172	4.7
290.07349	0.4
295.06055	0.4
297.07620	2.4
300.02734	0.4
301.03506	0.4
307.08273	0.6
310.04758	0.3
311.05576	5.0
313.07275	0.5
313.11340	0.5
323.05582	3.3
324.05688	0.5
325.07156	0.5
341.06656	84.4
342.06989	9.0
362.28723	0.3
375.27057	0.3
392.81784	0.4
431.09195	0.4
433.20801	0.7
435.10822	100.0
436.11160	15.7
503.11935	6.9
504.12122	1.6
505.23022	0.4
537.32977	0.7
597.15900	21.6
597.35596	1.6
598.16272	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	595.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98822	0.9
52.16546	1.0
55.01875	2.4
55.73149	0.9
57.03419	3.6
58.00578	3.3
59.01375	97.2
60.01676	1.1
61.98830	11.7
65.00310	2.1
67.01840	1.0
69.03437	2.1
69.51786	4.0
69.52217	4.6
71.01379	78.9
71.50391	0.8
72.01698	1.5
72.99306	5.8
73.02612	0.9
73.02945	12.6
75.00874	5.2
81.03417	1.1
83.01391	5.9
85.02944	21.5
86.03281	1.1
87.00878	10.8
89.02444	75.6
90.02784	1.0
93.03455	1.8
95.01383	6.7
97.02929	2.6
99.00892	4.8
99.92580	1.2
101.02448	67.6
102.02792	1.2
107.01369	2.2
108.02145	2.0
109.02924	2.5
111.00822	1.7
113.02454	36.5
115.04000	1.1
116.92857	1.4
119.03515	32.7
119.04990	3.4
121.02982	11.2
124.01636	2.3
125.02460	13.2
129.01898	3.1
131.03513	10.6
137.02399	3.6
139.00301	2.3
139.04053	1.3
141.01888	1.2
143.03505	12.2
145.02959	1.6
146.03554	1.0
147.02940	1.2
148.01619	1.5
149.02505	1.3
149.04497	3.6
151.00345	11.4
153.01953	1.2
153.05618	1.5
155.10765	4.9
159.02946	2.8
160.01636	1.1
161.04575	27.3
162.03094	1.4
162.04845	1.5
163.03935	4.3
165.05548	1.4
166.02690	2.5
172.05269	0.9
175.03960	2.0
177.03973	3.2
177.05447	2.1
178.99777	4.5
179.05614	100.0
180.05894	3.2
181.05075	6.8
193.04926	1.9
195.04967	3.4
195.06517	1.2
199.09744	1.8
207.06421	1.1
209.04642	7.5
211.05951	1.3
218.05673	1.8
221.04509	1.7
221.06622	24.5
222.06935	1.1
224.60269	1.2
225.11288	1.3
226.02551	1.0
227.03342	1.5
243.03053	6.0
243.06393	1.1
255.02960	12.0
256.03149	1.3
259.06110	8.8
269.04370	1.2
269.08047	1.2
270.99667	1.9
271.02319	26.8
271.05930	5.3
272.02740	4.1
272.05624	1.1
287.05579	13.6
299.01956	2.4
300.02731	57.2
301.03397	17.1
302.03922	1.5
311.09210	1.0
313.10721	1.5
323.09692	1.4
341.10724	2.1
343.11823	3.4
358.10260	4.1
373.12936	14.4
374.13022	1.3
389.15887	1.4
403.10068	1.2
403.15210	1.7
418.12585	1.1
433.07828	2.9
433.15030	19.2
434.14856	3.9
447.12280	1.7
447.22623	1.1
449.16629	1.1
463.08713	6.3
519.12476	1.2
526.20001	1.0
535.27502	83.9
536.27802	15.0
551.19531	1.3
595.12653	42.8
595.20776	3.4
595.28021	3.3
596.12885	9.4
596.20032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.84724	0.4
59.01365	1.1
61.98826	2.8
70.39798	1.1
77.26434	0.6
78.91894	1.3
78.95905	65.0
80.91681	16.8
90.24661	0.5
90.86559	0.5
96.96967	11.0
97.19206	0.4
98.19975	0.6
150.97968	1.0
152.99599	91.1
153.99947	1.1
155.63544	0.5
171.00623	2.8
222.98108	0.7
223.00125	9.3
224.00349	0.4
241.01175	25.3
242.01541	1.0
259.02145	1.7
261.22296	0.6
279.23273	63.0
280.23608	8.2
315.04858	14.4
315.08252	0.4
316.05234	1.3
333.05841	0.7
347.35330	0.6
355.69321	0.4
595.28870	100.0
596.29230	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	595.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
58.00606	0.6
59.01376	9.7
60.99300	0.6
61.98829	99.7
62.12794	0.5
62.91082	0.5
65.00317	1.1
71.01382	12.3
71.12144	1.3
71.12485	0.6
72.99319	1.4
73.02937	4.0
74.95847	0.6
75.00900	1.5
81.03458	0.6
83.01399	1.9
85.02946	5.2
87.00895	1.8
88.98831	2.0
89.02454	1.8
91.01913	1.0
91.34598	0.7
93.03465	60.7
94.03816	1.8
95.01405	1.5
96.96002	0.7
97.85760	0.7
99.00929	1.2
99.04490	0.7
101.02454	8.3
103.00401	0.7
103.04053	0.8
107.01397	1.1
107.05041	3.1
108.02209	1.8
109.02975	1.0
109.06590	0.7
111.54248	0.7
113.02442	3.9
115.03899	0.6
116.92880	7.2
117.03486	2.7
119.03619	0.6
119.05023	2.4
121.02968	35.1
122.03323	1.3
125.02468	4.4
127.04056	1.1
131.03514	1.0
133.02965	2.7
135.04532	3.1
136.01703	1.3
137.02460	100.0
138.02821	3.9
139.00397	0.8
143.03474	1.8
145.02979	6.2
145.05017	1.0
147.04497	0.8
149.02446	1.2
149.99588	1.5
151.00386	6.4
151.04001	1.2
153.01974	1.3
161.02452	8.0
161.04581	1.8
161.05951	1.0
162.02731	0.7
163.03992	2.3
163.06102	0.8
168.00624	2.4
172.94223	0.6
173.04604	0.6
175.03979	1.2
178.99953	3.1
179.03497	2.1
190.02777	1.1
191.05606	1.9
197.06087	8.1
198.06247	0.8
199.07648	4.8
204.79033	0.6
205.05058	0.9
205.07121	1.2
209.06143	0.6
227.07137	71.8
228.07426	5.3
237.09764	2.9
255.02904	2.2
259.06088	0.8
265.07333	0.8
271.02484	2.8
271.06000	0.9
281.06668	16.3
282.06808	1.3
285.03992	1.4
287.05542	1.7
299.07706	22.1
300.02774	3.8
300.08005	2.4
301.03537	12.2
302.03885	1.4
307.25330	0.7
346.93951	0.6
353.08658	3.8
373.25931	1.1
375.27426	5.6
376.27649	0.8
427.12482	15.2
428.12631	2.0
433.07690	3.0
535.18384	6.0
535.26007	1.2
535.33185	0.7
536.18365	1.3
540.95355	0.7
595.10876	3.0
595.19550	2.0
595.27966	7.2
595.35712	1.1
596.11591	0.8
596.27802	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	595.1669
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
55.98692	0.7
59.01377	1.3
61.98840	0.7
65.00299	0.8
68.99811	1.3
70.12657	3.4
71.01386	2.5
73.02935	0.9
74.42165	0.7
74.73531	0.7
79.01887	1.8
79.40580	0.6
81.03467	1.6
82.80810	0.8
82.96818	0.6
83.01382	3.3
84.60344	0.6
84.71943	0.7
85.02977	0.8
87.00883	0.8
87.80889	0.7
93.03481	6.2
95.01389	1.9
95.05035	1.2
97.02953	3.5
99.00874	0.9
107.01400	6.0
107.05069	1.6
109.02950	2.0
111.00947	0.6
111.04527	1.8
115.05514	0.7
117.03445	1.0
119.05042	34.7
120.05357	2.0
121.02967	3.5
123.00869	1.4
123.04565	2.5
125.02459	6.8
128.24866	0.7
129.02081	0.7
133.02948	1.0
133.06573	1.0
135.04579	3.4
137.02461	4.3
139.04045	5.0
143.05048	5.5
145.02974	6.4
147.04477	2.6
149.02463	4.3
150.03204	1.1
151.00392	5.5
151.04010	1.8
155.03574	1.0
159.04556	0.9
161.02510	1.6
161.06152	2.1
163.00357	2.6
163.04021	4.5
164.01117	0.7
164.04869	0.7
165.01936	4.1
167.03531	11.0
168.03772	0.8
175.03989	1.4
177.01962	4.8
179.03476	2.8
183.08047	0.8
185.06042	1.3
187.03995	5.7
189.01976	0.8
191.03549	3.7
193.01414	9.2
197.04565	2.7
197.06219	1.1
199.07640	2.7
205.01389	6.4
205.05063	1.2
207.02995	3.8
209.04544	4.7
211.39412	0.7
219.02979	2.0
221.04518	1.7
223.02515	2.1
225.05365	1.0
227.07137	2.3
233.04500	1.5
235.02484	12.1
236.02863	1.4
239.05380	2.0
239.07507	0.9
241.08815	1.0
245.08310	1.1
247.02509	2.2
249.04024	2.1
257.08115	0.9
261.03964	1.4
265.03467	4.1
265.08978	0.9
269.08218	0.8
271.02386	1.8
271.06122	4.4
283.06168	1.3
291.05075	0.8
295.04434	1.3
297.07541	0.9
299.02078	3.3
301.03561	3.1
301.06821	1.2
307.04697	0.7
313.07175	16.4
314.07632	1.4
325.07187	6.5
326.07657	1.2
343.08231	6.9
344.08383	0.8
353.06754	0.9
355.08234	74.1
356.08585	11.0
367.08340	3.5
369.09546	0.9
385.09293	60.7
386.09576	8.0
397.09402	4.0
415.10355	16.6
416.10706	2.3
427.10275	1.4
442.81049	0.8
445.11459	0.8
457.11356	7.4
458.11667	1.0
462.08389	0.9
463.08640	1.4
475.12457	34.9
476.12790	6.1
487.12570	3.1
488.12241	0.8
505.13486	9.1
506.13815	1.5
559.14520	1.1
577.15247	4.0
595.16705	100.0
596.17047	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	595.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01388	0.3
60.28994	0.2
60.83214	0.2
61.98827	5.2
63.02395	0.7
65.00322	13.8
66.09591	0.2
69.69128	0.4
69.69536	1.0
71.01391	0.2
79.01877	0.4
79.91408	0.2
81.03458	0.2
83.01387	5.6
93.03475	0.4
97.02980	0.4
103.01888	0.3
107.01398	21.6
107.05035	0.4
108.01754	0.6
108.99287	0.2
109.02959	2.4
109.62596	0.1
109.90955	0.2
110.80883	0.2
117.03476	1.5
119.05038	2.0
121.02952	0.3
123.04538	0.2
125.02460	6.9
126.02819	0.2
131.01392	1.2
133.02986	1.3
134.03789	1.1
135.04535	62.4
136.04883	2.6
137.02475	0.6
145.02968	7.7
146.03294	0.5
147.24968	0.2
149.02449	0.4
151.00380	100.0
152.00713	4.2
159.04613	0.3
161.02457	4.1
161.05994	0.3
162.02858	0.3
163.04030	1.4
165.01920	1.5
169.01410	1.4
175.00378	5.4
176.00722	0.3
177.01939	2.5
179.03447	0.2
182.70175	0.2
187.04036	0.2
193.01428	1.4
201.05679	0.2
203.03540	0.2
204.94089	0.2
205.01482	0.3
205.05022	0.2
217.01401	0.4
225.05603	0.3
239.03284	0.2
240.27916	0.2
265.07098	0.3
269.04544	0.7
271.06052	1.7
272.06393	0.2
287.05597	68.2
288.05945	7.2
307.08237	10.9
308.08524	1.3
311.05573	0.7
323.07742	1.3
329.06689	0.2
433.09460	0.3
449.10901	0.6
459.09326	2.2
460.09598	0.2
595.14563	21.1
596.14935	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12582	0.3
56.21003	0.2
57.03441	5.1
57.70581	0.2
59.01378	1.6
61.98828	12.8
65.00315	2.9
67.01887	0.4
68.99781	0.3
69.03455	0.4
69.56727	0.2
69.57062	2.3
71.01383	1.4
73.02931	0.4
75.00864	0.7
78.74010	0.3
81.03455	4.2
83.01389	5.2
85.02959	0.7
87.00876	0.5
88.98823	0.7
89.02448	0.8
93.03465	5.2
94.03796	0.3
95.01408	0.8
97.02949	1.1
101.02459	1.1
107.01403	5.3
108.02238	0.4
109.02969	1.9
111.00848	0.4
111.04552	0.3
113.02415	0.4
117.03477	2.2
119.05029	3.1
121.02965	0.9
123.04552	1.6
124.01684	2.0
125.02456	48.6
126.02809	2.2
130.04248	0.5
131.01413	0.4
131.05026	0.7
133.02957	2.8
135.04530	1.0
137.02443	2.1
139.03998	1.8
143.05067	0.6
145.02957	7.8
145.06575	0.6
147.04544	0.7
148.04012	0.6
149.02472	2.6
149.99599	0.5
151.00378	16.8
151.03996	0.5
152.01173	4.8
153.01956	11.4
154.02299	0.4
155.10835	0.3
156.05794	0.9
157.06595	1.0
158.03725	0.9
159.04514	1.3
161.02451	1.1
161.06044	0.8
163.00378	1.1
163.03996	2.4
165.01997	1.9
165.75502	0.3
167.03493	1.1
169.01472	1.3
169.06531	0.3
171.04477	0.4
172.05304	4.8
173.06078	10.0
174.06430	0.5
175.00404	1.9
175.03978	2.5
175.07727	0.4
176.01114	1.3
177.01913	1.1
177.05569	3.9
178.05966	0.4
178.99869	12.4
180.00194	0.7
181.01407	0.8
187.03966	0.3
187.07611	1.2
189.01973	0.3
191.05647	0.4
195.02931	0.4
197.06053	0.8
199.03931	0.6
199.07703	1.5
200.04840	1.8
201.05556	3.6
203.03455	0.5
205.05022	0.5
213.05484	0.4
214.06274	0.4
215.07120	12.4
216.07451	1.3
219.06697	0.7
229.05026	0.4
240.04185	0.4
241.04955	2.2
243.06599	6.6
243.08958	0.2
244.06961	0.6
255.06558	0.7
259.06085	100.0
260.06412	8.6
265.07190	0.6
268.03842	0.3
269.04495	6.4
270.04907	1.3
271.06046	0.8
273.07678	1.1
273.12430	0.4
283.06100	14.3
284.06500	1.8
285.07672	0.4
287.05591	72.0
288.05902	7.1
301.03751	0.5
301.07120	4.8
302.07599	0.4
307.08295	1.7
311.05579	2.0
313.07156	0.6
325.07169	1.1
329.06665	0.9
373.25974	4.1
374.26041	0.3
433.11569	0.6
441.39941	0.3
453.18887	0.6
460.10004	0.6
461.05048	0.3
461.10641	2.1
462.11163	0.3
487.08969	0.3
488.09619	1.1
489.10004	0.4
497.17529	1.6
535.27264	0.6
567.15100	21.3
568.15393	5.5
577.13361	4.0
578.13788	0.9
595.14569	8.2
595.26532	1.3
595.34125	1.0
596.15070	1.9
596.23615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13108	0.2
57.03437	0.4
59.01395	0.4
61.98827	3.9
63.02393	0.9
65.00322	13.6
66.00681	0.3
69.62671	0.2
71.01394	0.5
71.25967	0.2
75.00875	0.2
83.01389	5.9
85.37946	0.2
93.03486	0.7
103.01894	0.3
107.01400	21.4
107.05061	0.3
108.01737	0.7
108.99310	0.2
109.02961	2.6
117.03470	2.5
119.05045	1.9
121.02966	0.7
125.02460	7.5
131.01424	1.4
133.02963	1.0
134.03792	1.2
135.04536	61.2
136.04851	3.0
137.02435	1.0
145.02960	7.7
146.03317	0.6
150.56152	0.2
151.00381	100.0
152.00728	3.8
153.58447	0.2
159.04546	0.9
161.02457	4.5
161.06055	0.5
162.02867	0.4
163.04053	1.1
165.01915	1.3
166.02226	0.3
169.01471	1.3
175.00383	5.3
177.01929	2.6
177.05740	0.2
190.15143	0.2
192.99841	0.3
193.01375	1.4
201.05589	0.3
203.03432	0.2
205.01408	0.3
205.05132	0.2
217.01602	0.3
225.14650	0.2
243.06697	0.8
265.07257	0.3
269.04529	0.7
271.06125	1.5
285.04034	0.3
287.05597	68.7
288.05930	6.3
295.73886	0.2
301.03613	1.3
307.08215	10.6
308.08521	1.0
311.05637	0.7
353.06396	0.3
433.10843	0.3
444.71048	0.2
449.10974	1.0
459.09235	2.0
460.09518	0.3
595.14551	24.5
596.14929	6.7
596.24432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30196	0.5
59.01385	0.8
61.98857	1.9
65.00349	0.6
69.47078	2.1
69.47504	1.3
72.95492	0.4
74.15388	0.4
74.44957	0.4
83.01434	0.7
95.01432	0.5
107.01447	1.1
108.02235	1.3
121.03012	0.8
129.56390	0.4
135.00876	0.9
148.01707	1.1
151.00403	4.3
162.70502	0.5
163.00394	0.8
164.01152	0.8
178.99852	2.8
183.04497	0.6
190.99896	0.6
192.00755	0.6
195.07388	0.5
199.04173	1.0
203.03413	0.4
209.76268	0.4
211.03976	0.8
215.03467	0.7
226.02824	1.3
227.03502	2.4
228.04089	0.6
243.02968	10.5
244.03488	0.9
254.02158	2.0
255.02975	29.7
256.03305	5.0
257.03586	1.9
271.02460	55.1
272.02884	6.2
283.02484	6.7
284.02875	5.7
285.03516	7.0
286.04343	3.9
287.04630	3.2
299.01974	1.9
300.02747	100.0
301.03229	13.0
413.67972	0.5
431.09436	1.4
432.09909	3.1
433.10211	3.2
433.15320	0.8
445.07632	0.8
447.08792	0.6
448.09369	1.0
449.09720	3.1
595.13110	76.8
596.13428	16.4
614.01581	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40722	0.4
57.03452	0.7
59.01378	16.9
61.98859	1.4
63.02414	1.6
65.00327	4.6
69.80800	1.8
69.81207	0.8
71.01382	3.3
72.08657	0.5
83.01374	2.9
85.03001	1.4
87.00922	0.7
89.02480	2.2
92.93906	0.5
93.03509	1.5
96.93977	0.5
101.02502	1.6
107.01406	7.9
107.02026	0.7
108.02245	1.1
109.02993	1.3
113.02505	1.1
115.92136	0.5
119.05058	0.5
119.96511	0.4
121.02965	7.3
121.03741	0.6
123.00851	0.6
123.04559	0.5
124.01673	0.7
125.02435	2.9
129.01950	0.5
133.03003	0.5
133.32635	0.5
133.85013	0.4
134.03859	0.4
137.02496	1.0
139.04025	0.8
145.02985	0.6
147.04527	0.5
148.01706	1.7
149.02492	1.1
151.00381	40.2
152.00809	1.7
153.05586	1.1
155.10841	1.1
159.02928	0.5
159.04492	0.5
161.02440	0.7
161.04694	0.7
162.03331	0.6
163.00427	1.7
163.03993	4.3
164.01208	0.7
169.01494	1.7
173.06073	0.5
177.01859	0.6
177.04169	0.8
177.05617	1.1
178.99861	20.3
179.05666	1.2
179.07117	0.9
180.00282	0.9
181.05098	1.1
183.04594	1.0
187.04030	1.0
193.01472	0.9
193.05083	1.1
199.03975	1.5
201.05577	0.7
203.03442	0.6
211.04022	1.0
211.06195	1.3
215.03410	0.5
227.03496	2.6
229.05098	1.2
239.03517	0.6
243.02928	6.3
244.03362	0.6
245.04588	1.5
254.02306	0.7
254.05904	0.8
255.02974	13.8
256.03494	1.3
259.06174	2.3
269.04767	0.5
269.08237	1.4
270.08804	0.5
271.02454	24.5
272.02911	3.3
273.04050	1.6
283.02637	1.2
287.05643	2.8
299.01987	10.8
300.02744	45.0
301.03519	100.0
302.03860	9.6
313.10941	0.8
343.12012	4.8
344.12338	0.8
358.10736	0.7
373.12891	10.1
374.13223	1.5
403.16309	0.6
433.07800	34.0
433.14813	5.6
434.08136	6.7
434.14108	0.7
462.07941	1.4
463.08792	73.9
464.09109	11.5
464.15558	0.5
508.81754	0.5
535.27545	1.4
547.99738	0.5
551.20135	0.7
595.12903	19.9
595.27454	1.1
596.13525	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	593.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67072	0.6
53.17953	0.6
56.77640	0.6
59.01379	5.8
60.99304	14.8
61.98516	1.4
61.98829	22.7
70.51516	2.5
72.99316	3.7
78.95923	0.8
79.95741	1.9
80.96520	2.3
88.00407	2.3
88.95671	0.6
88.98812	100.0
89.02451	21.6
89.99155	1.4
90.99199	0.6
94.48844	0.6
170.33034	0.7
225.00720	0.7
284.03131	0.7
285.04214	1.0
385.24011	0.9
419.96426	0.6
445.26263	0.8
469.29849	1.4
499.30731	5.8
500.31311	1.1
503.33609	1.9
589.21375	0.6
593.25507	4.2
593.34015	2.2
594.26855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.2
59.01377	0.8
61.98830	100.0
62.98537	0.2
65.00322	0.7
66.94253	0.1
69.58812	0.8
71.01369	0.5
73.02953	0.2
83.01407	0.4
83.31186	0.1
85.02975	0.2
88.98839	0.3
89.02478	0.3
93.03471	0.4
99.92615	0.1
101.02473	0.3
107.01405	1.1
108.02204	0.1
109.02938	0.2
113.02466	0.2
116.92873	1.1
117.03453	0.5
117.92892	0.5
119.05037	1.0
121.02940	0.1
121.18271	0.1
123.04534	0.2
125.02458	0.9
133.02985	0.4
134.03804	0.1
135.04552	3.3
137.02496	0.4
145.02980	1.9
147.02863	0.1
151.00385	5.7
151.03951	0.2
153.01912	0.1
161.02460	1.5
161.06058	0.1
163.04074	0.4
163.11292	0.2
165.01942	0.2
175.00389	0.2
175.04083	0.2
177.01965	0.3
177.05545	0.2
179.03563	0.3
189.02029	0.2
191.05664	0.3
193.01494	0.1
203.07286	0.1
205.05142	0.2
216.00784	0.1
217.01540	0.2
221.04649	0.1
227.07254	0.1
265.07193	0.1
271.06024	1.2
283.06198	0.2
285.04056	1.1
286.04395	1.0
287.05609	3.6
300.02853	0.1
307.08163	0.6
323.07776	0.8
367.10406	0.2
388.99338	0.1
402.26056	0.1
419.11685	0.2
459.09457	0.1
513.14990	0.1
513.21844	0.3
531.16815	0.2
531.22882	0.9
532.22778	0.3
534.30792	0.2
594.13562	0.3
594.26685	0.2
595.14465	2.2
595.24304	0.2
595.27740	0.2
596.01569	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76391	1.0
53.50839	1.0
57.45333	1.0
59.01365	4.6
61.98827	15.1
68.18173	1.1
71.01348	1.6
71.62804	1.7
73.57993	1.0
78.95910	64.7
83.05033	1.7
96.96974	13.5
109.74800	1.0
110.71130	0.9
111.08219	1.0
115.08148	1.1
121.02914	1.2
125.02453	1.7
130.41376	1.1
135.38013	0.9
150.97978	1.3
152.99605	54.3
153.99962	1.7
171.00664	1.3
171.10294	1.2
183.13783	1.0
197.11809	3.9
209.11830	22.6
210.12105	1.9
227.12836	2.6
241.01164	31.2
242.01469	1.3
277.21710	49.1
278.21982	5.3
291.19659	1.5
309.20734	2.5
315.04886	7.4
398.83524	1.1
413.21066	6.0
413.25635	1.0
497.28830	6.3
498.29498	1.9
578.37976	1.1
586.00037	1.1
593.27289	100.0
594.27869	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	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
57.03442	4.3
58.00578	2.4
59.01376	49.2
61.98525	0.8
61.98831	10.4
69.03477	1.1
71.01383	50.4
72.01724	1.0
72.99311	2.4
73.02943	10.8
75.00889	4.3
78.81510	0.4
81.03465	0.5
83.01395	4.6
85.02955	16.3
87.00877	5.2
87.04515	0.7
89.01866	0.5
89.02451	35.2
93.03452	5.4
95.01406	3.9
97.02955	2.2
99.00887	4.1
101.02454	38.0
102.02782	0.8
103.86567	0.5
107.01365	0.9
107.05002	0.5
109.02960	1.0
111.00883	1.4
113.02461	21.3
114.02830	0.6
115.00392	0.6
115.04041	0.6
115.92042	0.6
119.02673	0.7
119.03522	13.0
119.05033	0.5
120.03860	0.6
125.02493	3.9
129.01926	2.5
131.03496	2.9
133.02962	0.6
135.04576	0.8
135.11769	0.9
137.02478	6.5
139.00401	0.6
141.01939	1.2
143.03523	4.3
145.02972	1.5
149.04623	0.9
151.00352	0.9
151.04027	0.6
155.10823	4.0
159.03000	2.2
160.01683	2.3
161.02478	1.3
161.04573	12.8
161.09700	1.4
163.00397	0.9
163.04039	0.8
163.06219	0.6
165.01962	1.0
172.33626	0.5
175.04015	3.5
177.02010	0.4
177.02614	0.5
177.04037	3.2
178.99968	0.5
179.05623	12.8
179.10826	2.9
180.05975	0.6
181.07231	1.5
185.06102	0.6
187.04030	0.8
187.11292	0.7
191.05730	0.8
195.05006	0.8
199.09789	1.4
205.03624	0.6
209.06656	0.8
221.06694	3.4
223.09811	1.0
227.03470	7.1
228.03749	0.7
229.05083	1.7
255.02975	13.0
256.03470	1.6
257.04578	1.6
283.02490	1.9
284.03247	13.7
285.04007	18.0
286.04410	1.9
323.09842	1.1
325.10846	0.9
326.11044	1.4
337.09265	3.3
343.12485	1.1
371.20740	11.8
372.21121	1.7
382.95700	0.5
437.15317	0.6
445.21268	3.2
446.21365	0.6
461.11230	0.5
475.12173	4.2
475.18204	0.6
476.12570	1.2
519.19177	0.8
533.25958	100.0
534.26294	17.9
575.19879	0.9
593.15076	17.3
593.22919	7.2
594.14294	3.3
594.22937	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	593.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19666	0.4
55.01879	0.6
57.03439	1.2
58.00596	0.4
59.01376	13.4
59.10222	0.6
61.21023	0.4
61.98826	100.0
65.00313	0.9
65.41388	0.4
66.91711	0.4
69.03455	0.7
71.01385	6.9
71.63668	0.4
72.99313	1.0
73.02949	2.8
75.00875	1.0
78.90344	0.4
78.95918	2.0
83.01402	1.6
85.02958	3.6
87.00865	1.1
87.04521	0.7
88.98813	1.5
89.02452	3.1
91.01865	0.7
93.03464	1.0
95.01414	0.8
96.95996	0.6
97.02966	0.6
99.00877	1.0
99.04510	0.5
101.02447	4.4
107.01402	1.2
109.02962	1.2
111.00945	0.6
111.08266	0.4
113.02441	2.0
116.92850	0.8
117.03493	1.1
119.03525	0.7
119.05044	2.1
121.02969	1.8
123.04556	1.4
125.02460	4.7
126.02796	0.8
131.03526	1.9
132.02182	15.6
133.03030	2.3
134.03754	17.2
135.00925	0.5
135.04536	1.3
137.02489	2.3
139.04073	0.6
145.02962	1.9
149.02446	1.4
149.04697	0.6
149.06093	2.0
151.00389	3.9
151.03923	0.9
152.99707	0.9
153.02023	1.4
153.05588	0.6
159.04514	0.9
160.01668	71.6
161.02034	4.7
161.04546	1.0
161.06093	0.6
163.04025	0.9
165.01949	0.7
168.00639	0.6
175.04008	74.7
176.04324	4.5
177.01930	2.4
177.05582	0.8
178.02585	0.7
178.99884	1.6
179.03574	1.0
179.10820	0.8
181.01515	0.7
187.04004	0.5
189.01924	1.6
190.02637	0.5
191.05609	0.8
193.05058	19.7
194.05374	1.3
197.00867	0.8
197.11696	0.7
205.05045	0.7
209.11884	0.5
216.00633	1.0
217.01320	1.4
221.04601	0.6
229.01320	0.8
229.05026	0.7
235.06158	0.6
241.05147	0.6
243.03131	0.6
255.02893	0.6
257.04373	0.6
269.04352	0.6
271.06070	2.4
283.02353	1.0
283.06360	0.7
285.04034	5.2
286.04340	1.2
287.04559	1.2
300.02740	1.2
301.03479	5.0
303.05069	1.4
303.47998	0.5
304.05417	1.2
305.05597	1.7
311.05530	0.7
342.68814	0.4
361.20331	0.4
401.25262	3.2
402.25323	0.5
419.11444	2.0
471.30951	1.0
513.15417	4.4
533.30286	4.7
534.30518	1.1
593.13348	2.6
593.29553	76.4
594.14429	0.9
594.29901	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	593.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03453	0.9
57.42417	0.4
58.00595	0.3
59.01376	18.3
61.98827	71.7
67.01898	0.5
67.12949	0.3
68.99834	0.5
69.03455	33.4
70.03800	0.7
70.06234	0.8
70.06654	0.7
71.01380	10.7
72.99321	1.4
73.02943	3.9
75.00883	0.7
78.95908	0.9
79.01882	5.4
79.02304	0.5
81.03448	2.2
83.01411	1.4
83.05035	0.6
83.31245	0.3
85.02950	6.9
87.00873	3.2
87.04538	1.0
88.98807	1.3
89.02446	3.7
93.03476	1.0
95.01389	4.7
96.01734	0.4
96.96032	0.9
96.96944	0.6
97.02959	19.1
98.03259	0.8
99.00870	0.9
101.02451	6.3
103.04021	1.5
107.01395	20.4
107.80605	0.3
108.02189	31.0
109.02996	5.4
113.02454	7.4
115.04010	1.0
116.92883	1.1
117.03493	0.7
119.03526	1.1
119.05029	1.5
121.02972	2.9
123.00899	6.6
123.04491	0.3
125.02457	44.3
126.02792	1.8
131.03510	2.1
133.02977	0.9
134.03766	0.4
135.00891	43.6
135.04475	0.9
136.01219	1.8
137.02461	4.0
143.03503	4.0
145.02969	3.1
145.05084	1.2
149.02457	1.0
150.03270	0.4
151.00380	25.3
152.01163	84.7
153.01555	3.7
155.10718	0.4
159.03004	0.4
160.01692	0.6
161.02403	2.1
161.04532	2.3
163.04018	2.1
163.06172	0.9
165.01961	0.5
165.12918	0.4
166.12817	0.3
167.03485	0.4
173.02452	0.4
175.03949	0.6
176.01231	0.4
177.01964	2.2
179.00008	0.4
179.03525	0.8
179.10785	0.4
183.13930	1.5
189.01996	1.4
190.02690	0.7
191.03549	0.5
197.06078	2.1
198.06612	0.4
205.05063	1.0
205.07166	3.0
207.06650	0.6
207.13901	0.5
213.05492	0.5
215.07077	0.7
219.02974	0.6
225.05559	0.3
231.03027	0.7
242.02219	0.4
242.05832	24.6
243.06592	100.0
244.06943	8.6
251.12799	1.6
255.02985	0.4
265.07120	0.4
269.04572	0.6
271.06113	1.6
283.06009	0.4
285.04056	3.9
285.07675	1.4
289.07092	0.6
297.07889	1.6
309.11932	0.7
311.05402	0.6
327.08707	0.3
357.08340	0.7
387.10843	4.2
388.11282	0.7
401.25327	1.0
405.11902	5.3
406.12378	0.4
419.11676	0.5
425.10895	2.0
429.11841	1.5
443.11948	9.0
444.12366	1.4
447.13113	3.2
448.12830	0.5
485.12927	9.7
486.13229	1.3
487.19049	0.4
513.15295	0.4
531.16248	0.8
533.16626	8.1
533.29437	0.8
534.16620	1.9
551.17603	46.7
552.17950	8.6
593.18744	7.2
593.27899	4.3
594.18677	1.6
594.28308	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Datiscin
Peak:m/z	Relative Intensity
59.01376	0.9
61.98833	0.4
63.02430	0.4
81.41436	0.4
83.01390	0.8
85.03537	0.3
89.23419	0.5
93.03487	0.4
104.37755	0.4
107.01401	0.9
109.02960	0.4
117.03438	0.8
137.02466	0.5
143.05051	0.5
151.00362	2.7
154.04256	0.5
155.05042	0.6
159.04529	1.0
163.00377	0.9
165.01952	0.5
169.06604	2.2
171.04509	0.9
173.02449	0.6
173.05934	0.4
183.04536	2.5
185.06070	1.3
187.04037	1.3
189.05580	1.6
199.03900	0.4
211.04005	2.3
212.04489	0.6
213.05540	2.4
213.07318	0.4
214.02745	1.0
215.03593	0.8
217.05077	0.4
227.03490	6.2
229.05008	1.4
238.61980	0.4
239.03642	0.8
241.01338	0.9
241.05128	0.9
243.02950	0.8
255.02966	44.3
256.03354	5.2
257.04437	2.1
267.02826	0.6
271.02493	1.1
283.02466	100.0
284.02988	16.8
285.04025	61.8
286.04364	6.2
299.02179	1.8
299.05292	0.4
300.02887	0.5
301.03616	0.8
327.05264	0.9
430.09042	20.9
431.09775	33.0
432.10269	3.6
447.09290	31.5
448.09671	4.7
593.15100	72.6
594.15369	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	593.1514
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.78667	0.1
55.01893	0.1
56.27471	0.1
57.03434	0.2
58.00594	0.1
59.01375	1.8
60.99306	1.2
61.98828	5.9
63.02401	0.8
65.00317	0.6
71.01385	1.3
71.62080	0.1
71.62423	0.1
72.99306	0.1
73.02945	0.4
75.00859	0.4
77.27798	0.1
78.95921	0.1
83.01396	0.9
85.02965	0.5
87.00886	0.2
88.98811	7.7
89.02443	1.0
93.03458	0.8
95.01388	0.3
95.05003	0.1
96.96021	0.2
99.92596	0.7
101.02458	1.0
107.01399	1.7
108.02206	0.2
109.02969	0.5
110.80950	0.1
113.02455	0.5
115.01876	0.1
116.92870	5.8
117.03446	0.3
117.92891	0.4
119.03496	0.1
119.05045	0.7
121.02970	0.3
123.00861	0.1
123.04523	0.3
124.01637	0.2
125.02451	0.5
133.02969	0.4
134.03712	0.2
135.00906	0.3
135.04546	0.2
136.01674	0.1
137.02440	0.6
143.05048	0.4
145.02954	0.7
147.04614	0.2
149.02484	0.2
149.04591	0.2
149.05977	0.1
151.00389	3.0
151.04015	0.4
152.01025	0.1
153.01923	0.2
154.04228	0.3
155.04993	0.3
155.10796	0.3
157.06580	0.3
159.04510	0.4
160.01610	0.1
161.02483	0.8
161.04605	0.2
163.00362	0.4
163.03987	0.3
164.01213	0.2
165.01930	0.2
167.05013	0.2
169.01422	0.5
169.06598	0.5
171.04489	0.5
173.02348	0.2
175.03957	0.2
179.05643	0.4
181.07205	0.3
185.06068	1.1
187.04060	0.5
189.05573	0.2
191.05515	0.2
193.05080	0.1
195.04494	0.2
196.05238	0.1
201.05617	0.3
205.05077	0.2
211.04027	0.3
212.04550	0.1
213.05632	0.7
214.02689	0.3
215.03607	0.3
217.05064	0.1
227.03450	0.4
229.05037	1.0
235.05843	0.1
239.03500	0.5
240.04112	0.3
241.05064	0.4
243.03017	0.3
255.03027	0.4
256.03864	0.3
257.04568	1.0
265.07013	0.1
267.15942	0.4
271.06076	0.3
283.02515	0.2
284.03284	0.9
285.04025	100.0
286.04370	10.5
286.07678	0.3
287.05536	0.2
289.07047	0.2
325.11353	0.2
343.12436	0.4
371.24493	0.3
387.14246	0.3
533.29865	0.5
549.29608	0.2
593.16064	0.1
593.24854	0.6
593.33191	0.3
619.99323	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	593.1514
Annotation	Multiflorin B
Peak:m/z	Relative Intensity
53.83028	0.2
57.03500	0.3
59.01456	2.0
61.98558	0.5
61.98907	2.6
63.02465	0.5
69.33493	1.0
69.33923	1.4
71.01475	2.1
71.06646	0.2
72.99372	0.5
73.03044	0.8
75.00499	0.4
75.00969	2.2
76.31921	0.2
78.56438	0.2
79.49769	0.2
83.01458	0.5
84.60474	0.2
85.03062	1.4
87.00952	0.5
89.02551	0.9
91.01989	0.7
93.03469	2.3
95.01463	0.3
97.65229	0.2
99.00993	0.8
99.04647	0.2
101.02552	0.8
107.01418	2.0
109.02988	1.1
113.02431	1.3
116.92973	0.7
117.02019	0.3
117.03566	0.4
126.73799	0.2
127.20978	0.3
130.04268	0.3
133.03030	0.3
135.00880	1.5
135.03017	2.1
137.02521	0.4
138.77110	0.2
141.07187	0.4
143.05032	1.2
145.03075	0.7
145.06706	0.2
151.00487	0.8
153.02005	0.5
154.04321	0.5
155.05098	0.4
155.10867	0.4
157.06680	0.9
158.03905	0.3
159.04526	1.4
161.02495	1.2
161.04593	0.3
163.00385	2.7
163.11418	0.3
164.00970	0.3
165.01889	0.6
167.05113	0.8
169.05403	0.2
169.06570	1.3
171.04549	1.0
173.02469	0.3
173.06183	0.3
175.02592	0.3
175.04149	0.3
177.04198	0.4
177.05577	0.3
181.07304	0.4
181.12338	3.5
182.12738	0.3
183.04602	0.7
185.06085	3.9
186.06551	0.3
187.04028	4.3
187.05537	0.3
188.04379	0.4
189.05559	1.7
195.04654	1.0
196.05394	0.4
197.06094	1.4
198.03246	0.3
199.04106	1.0
201.05670	0.8
202.03021	0.3
211.04004	2.5
212.04778	0.5
213.05557	2.7
214.02734	0.4
215.03612	0.6
225.11388	0.7
225.16153	0.4
227.03499	6.0
227.21385	0.2
228.03868	0.5
229.05052	16.4
230.05486	1.0
239.03471	1.7
240.04160	1.2
241.05061	2.4
243.02969	0.6
249.06174	1.0
255.02986	5.5
256.03659	1.5
257.04550	8.2
258.04892	0.8
259.06357	0.2
267.02960	1.2
284.03278	4.4
285.04037	100.0
286.04373	9.9
291.19827	0.3
299.14877	0.3
324.50674	0.3
413.17847	0.6
451.32483	0.3
457.16718	0.3
459.58313	0.2
475.11627	0.4
475.18170	6.0
476.18140	0.7
573.20178	0.3
593.14471	34.4
594.06085	0.4
594.14813	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	593.1513
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03448	0.5
59.01381	3.7
61.98831	3.5
62.02311	0.3
63.02403	0.5
65.00334	0.5
69.57216	1.2
69.57645	1.3
72.99308	0.4
73.02959	0.8
75.00885	1.5
83.01410	0.9
85.02980	1.4
85.21873	0.3
87.00882	1.2
88.98827	0.4
89.02467	2.2
93.03468	1.7
99.00925	0.5
100.73142	0.3
101.02445	2.0
105.91843	0.3
107.00766	0.4
107.01395	1.9
109.02992	0.8
111.00838	0.4
113.02456	1.3
117.03486	0.7
119.03514	0.7
125.02465	0.7
129.01987	0.5
131.05052	0.4
132.02164	0.9
135.00871	1.8
135.03004	1.2
137.02477	0.7
141.07117	0.5
143.05103	0.5
145.02994	0.9
151.00395	3.1
153.01987	0.5
154.04247	0.4
155.05043	0.4
157.06613	0.6
159.03244	0.3
159.04514	1.6
161.02434	0.5
161.09737	0.4
162.99220	0.4
163.00388	2.4
164.01111	0.4
165.01927	0.7
167.04982	0.6
169.06616	0.8
171.04584	0.7
173.05959	0.4
175.04008	0.5
177.04033	1.1
178.99915	0.7
179.05620	0.8
179.10742	0.5
181.07150	0.4
181.12392	0.8
183.04515	0.7
185.06061	2.3
187.04004	2.9
189.05600	1.3
195.04773	0.6
196.05286	0.7
197.06119	1.0
199.03976	1.0
201.05507	0.6
211.03914	2.6
212.04794	0.4
213.05641	1.6
215.03503	0.5
218.31073	0.4
227.03487	34.3
228.03870	3.4
229.05051	11.7
230.05353	1.0
239.03528	2.5
240.04161	1.2
241.05127	1.8
243.02969	0.5
250.57678	0.3
255.02971	60.6
256.03482	8.7
257.04535	7.4
258.04868	0.8
267.02744	0.8
283.02463	1.1
284.03247	70.7
285.04001	94.8
286.01169	0.5
286.04376	8.8
299.05713	0.5
327.05023	1.1
431.09760	1.2
447.09039	0.6
475.18112	1.3
519.18793	0.5
533.26154	1.1
593.15033	100.0
594.15387	21.7
594.23157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01377	38.9
60.99290	2.1
61.98831	37.1
69.45160	0.6
71.01388	2.1
71.52919	1.6
72.99295	2.8
73.02943	0.9
75.00892	1.1
78.95911	12.1
87.00880	1.1
88.98814	11.8
89.02451	2.0
89.99120	0.7
90.62217	0.6
96.63023	0.6
101.02470	1.1
102.54034	0.6
111.08239	0.9
113.02431	1.0
125.02446	1.2
134.03761	0.8
137.02454	0.7
145.03009	0.8
151.00336	0.7
152.99606	5.1
160.01672	1.6
163.04111	0.9
165.01901	1.7
168.04355	3.2
168.05870	0.6
175.03952	0.7
177.12851	0.9
183.13908	0.7
195.13904	13.4
196.14555	0.7
205.12257	1.4
211.13380	1.5
223.13390	10.0
224.06929	1.9
224.13795	0.8
228.13626	1.3
242.07990	3.6
256.13284	0.8
265.21814	0.9
275.20154	5.8
285.03833	0.8
293.21210	86.6
294.21573	9.6
307.22903	1.6
423.29190	1.8
447.21704	3.3
518.28833	100.0
519.29132	18.8
532.30829	0.7
533.30945	1.4
592.32617	3.1
593.14667	1.1
593.33698	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	593.1302
Annotation	Kaempferol 3-(4''-p-coumaroylglucoside)
Peak:m/z	Relative Intensity
50.24434	0.5
56.80404	0.5
57.03441	1.2
59.01374	13.0
61.98826	83.6
63.02390	1.7
65.00324	3.6
71.01385	8.0
71.59215	0.7
72.99318	1.7
73.02937	3.0
78.95918	2.1
82.00755	0.5
83.01385	2.8
83.05022	1.1
85.02974	3.2
87.00905	0.6
88.98817	2.5
89.02439	3.0
93.03481	2.7
95.01402	1.1
97.02986	0.8
99.00904	1.1
101.02441	5.3
107.01394	8.1
108.02177	2.8
109.02962	3.7
113.02476	2.8
116.92889	0.9
117.03493	3.6
119.01379	0.7
119.03481	0.9
119.05031	6.6
121.02969	5.0
123.04559	1.2
125.02448	2.5
131.03484	1.1
133.02979	2.1
135.00867	1.3
135.04503	1.7
137.02423	3.0
145.02969	7.1
147.04491	1.3
148.01657	1.9
148.21277	0.6
149.02487	1.0
149.04622	1.0
151.00375	20.3
152.00989	2.0
153.01964	1.1
155.10742	1.1
159.04530	0.6
160.01689	2.1
161.02484	3.3
161.04575	1.3
161.05908	0.8
161.09666	0.8
163.00357	3.8
163.04015	4.1
164.01144	0.8
165.01947	1.2
169.01482	1.5
174.03345	0.7
174.40096	0.5
175.04051	2.5
177.01944	2.2
178.02423	0.6
178.99875	10.6
179.01343	1.0
179.03409	0.6
179.10802	2.0
179.68384	0.7
184.75098	0.6
185.06190	0.7
185.08452	0.6
187.03993	1.4
189.02002	1.1
189.05589	1.1
191.05565	1.0
192.04306	1.4
193.04979	0.7
198.03264	0.6
199.04010	1.2
201.05495	0.9
202.06340	0.7
203.03508	1.4
203.10776	1.3
205.05101	1.0
207.06627	2.5
211.03983	2.5
213.05412	0.6
215.03514	1.7
216.04080	0.6
217.01439	1.1
226.02699	1.6
227.03491	5.5
229.05031	1.8
233.00879	1.1
243.02980	12.4
244.03407	1.5
245.04564	2.0
254.02180	2.3
255.02956	31.2
256.03311	4.0
257.04590	0.9
271.02457	62.7
272.02878	6.7
273.03952	1.7
283.02576	2.9
283.05835	0.7
284.03195	1.4
285.04016	13.4
286.04337	1.0
287.05579	0.9
289.07175	0.7
299.01996	2.3
300.02740	100.0
301.03452	57.0
302.03848	5.5
307.08261	1.6
315.04968	1.3
325.12830	1.3
357.26419	0.7
401.25452	4.6
429.08252	4.6
447.09216	12.3
448.09384	1.9
531.16388	2.1
531.28625	0.8
532.28485	1.4
533.28772	4.5
534.30310	0.7
535.29834	0.6
593.12988	87.1
593.25806	4.6
593.33472	4.3
594.13263	18.9
594.33850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29491	0.6
53.36282	0.6
55.01871	0.7
57.03459	1.2
58.06008	0.5
58.75670	0.5
59.01377	22.9
61.98829	100.0
63.02412	1.8
65.00330	2.5
69.02314	0.6
69.30754	6.1
71.01381	10.7
72.99319	1.6
73.02942	3.7
74.02497	1.4
77.11597	0.5
78.81504	0.5
78.95911	3.7
81.03475	0.8
83.01382	3.0
83.05032	0.8
85.02951	4.5
87.00881	2.0
88.98814	3.0
89.02451	5.3
91.01892	0.7
93.03494	3.0
96.96012	1.4
98.20615	1.0
99.00897	1.4
101.02457	7.4
107.01411	5.6
108.02192	2.0
109.02961	3.6
109.06594	0.6
111.00881	0.9
113.02443	3.6
116.03531	1.1
116.92876	1.0
117.03471	1.8
119.03609	0.9
119.05054	4.9
121.02940	3.4
123.00862	0.7
123.04535	1.0
125.02462	3.4
131.03513	1.8
133.02985	4.6
134.03787	1.0
135.00891	1.0
135.04555	5.5
137.02460	2.7
143.05038	0.9
145.02985	5.7
148.01730	0.8
149.02501	0.8
149.04588	2.3
151.00388	15.5
151.04001	1.2
152.00859	0.8
152.99643	1.1
153.01945	0.8
156.51711	0.6
159.02962	0.7
159.04520	0.7
160.01730	1.3
161.02466	13.0
161.04611	1.8
161.05994	0.7
163.00395	4.0
163.03949	2.8
164.01135	1.1
165.01929	1.2
169.01477	1.8
173.06133	0.7
175.04001	2.6
177.01917	1.7
178.99879	5.8
179.03505	3.0
185.06128	1.9
187.04030	2.5
189.01952	2.1
189.05620	1.2
190.99937	0.9
191.05608	2.2
195.04813	0.7
197.06226	0.8
198.03131	0.6
199.03975	1.3
200.04971	0.6
200.47403	0.6
203.03557	1.0
209.11844	1.7
211.04031	2.1
213.05502	1.6
214.02707	0.7
215.03453	0.7
216.00613	1.1
217.01437	2.3
226.02666	0.9
227.03464	4.2
228.04141	0.6
229.01392	0.6
229.05049	8.2
239.03427	1.0
240.04315	0.9
241.05042	2.3
241.14444	0.9
243.02885	6.7
245.04485	1.5
255.02957	17.8
256.03406	1.9
257.04501	3.7
269.04541	1.2
271.02457	29.7
271.06009	5.2
272.02908	3.4
273.03839	1.6
279.80093	0.5
283.02527	1.2
283.06000	1.2
284.03241	1.8
285.04031	56.9
286.04340	5.9
287.05484	1.1
299.01993	2.5
300.02744	48.4
301.03479	37.0
302.03885	2.6
307.08209	11.1
308.08487	0.7
311.05472	2.8
325.23746	0.7
353.13977	0.6
355.60559	0.6
369.22885	1.1
371.28036	1.4
401.25360	2.5
419.11459	1.6
429.08286	2.4
445.28278	1.0
446.28391	1.2
447.09259	6.3
515.30908	0.7
531.16534	4.7
533.33643	10.5
534.33661	1.3
549.30920	1.6
592.29840	0.7
593.12994	46.0
593.34106	7.3
594.13312	12.4
594.21899	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01124	0.2
59.01368	1.4
61.98829	100.0
67.05121	0.2
71.01389	1.4
71.65303	0.3
72.99324	0.3
73.02940	0.2
75.00884	0.5
83.01456	0.2
85.02961	0.9
87.00915	0.4
87.71296	0.2
89.02457	0.8
93.03446	0.3
99.00906	0.4
101.02448	0.6
109.02988	0.3
113.02483	0.4
116.92914	0.8
117.03486	2.5
119.03558	0.3
119.05023	1.1
123.04498	0.2
125.02496	0.8
137.02478	0.4
145.02969	16.3
146.03320	0.8
151.00340	0.3
151.04021	0.3
161.02373	0.3
161.06047	0.3
163.04036	1.6
165.01942	0.2
175.03984	0.3
177.04080	0.2
179.05580	0.2
191.05618	0.4
193.05095	0.2
255.02998	0.6
283.02606	1.2
284.03281	0.5
285.04025	2.6
307.08261	0.6
431.10141	0.8
447.09525	0.5
469.13611	0.6
487.14468	0.7
520.17426	0.3
529.15564	11.2
530.15942	2.0
592.19592	0.4
593.14246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
59.01666	0.1
60.01705	0.1
61.98828	100.0
62.98529	0.2
62.99240	0.1
65.92088	0.1
69.29733	1.3
69.82927	0.1
71.01388	0.2
72.99323	0.1
73.02947	0.1
75.00871	0.1
78.91911	0.2
78.95908	0.4
79.95734	0.1
80.96525	0.3
83.61819	0.1
85.02991	0.2
88.98817	0.5
89.02447	0.2
96.95963	0.1
98.20653	0.2
101.02458	0.2
111.28457	0.1
116.52021	0.1
121.02933	0.1
124.15134	0.1
125.02471	0.3
137.02530	0.2
145.98514	0.1
174.42461	0.1
190.29231	0.1
209.11877	0.4
283.02576	0.2
285.04089	0.2
294.21823	0.2
310.23483	0.1
548.33429	0.2
590.61670	0.1
592.33423	0.3
593.26001	0.4
593.34869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13630	0.2
57.03464	0.3
59.01377	17.0
59.89681	0.2
60.99292	0.3
61.98828	100.0
63.99252	0.3
71.01403	0.3
78.95908	0.6
79.78376	0.2
87.00922	0.4
88.98837	1.3
89.02441	0.4
123.04546	0.3
125.02451	0.3
209.11900	0.5
229.68922	0.2
247.79239	0.2
285.03894	0.2
293.21280	0.6
423.29266	0.3
437.92838	0.2
486.33551	0.2
518.28851	0.3
532.30225	0.2
533.30963	0.3
592.35449	1.0
593.33691	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	592.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03445	3.8
58.02968	3.5
59.01379	33.0
60.99310	1.7
61.98829	100.0
65.88328	0.8
67.01900	1.1
69.03459	1.1
70.02993	1.6
71.01384	27.8
71.63837	1.0
71.64281	1.5
72.00916	1.7
72.04550	2.2
72.99310	4.5
73.02950	11.8
74.02476	69.4
75.00882	3.0
75.02829	1.3
78.95913	20.3
81.03465	1.4
83.01401	6.7
83.05063	2.5
85.02958	18.2
86.00111	1.4
87.00901	3.2
87.04559	1.1
88.98810	6.0
89.02460	8.2
90.80064	1.0
91.01918	1.8
93.03458	2.4
95.01384	3.8
96.96954	1.9
97.02970	1.8
98.02487	6.7
99.00880	4.6
100.51983	0.9
101.01792	1.5
101.02454	26.1
102.02811	1.7
107.01408	2.5
107.05066	1.4
108.02189	3.4
109.02964	2.9
111.00908	3.0
113.02457	11.7
114.02859	1.2
116.03551	65.9
119.03526	2.3
119.05033	3.5
121.02950	1.1
123.00909	1.5
123.04548	1.6
125.02469	5.7
131.03543	2.2
133.02994	2.0
134.03741	1.2
135.00888	1.1
135.04553	5.0
137.02495	4.4
143.03490	1.1
145.02951	5.2
149.02409	1.6
149.04578	1.2
149.06125	1.5
151.00381	4.3
151.03998	1.1
152.01178	3.9
152.99606	10.3
153.01881	0.9
153.99982	1.6
159.03093	1.8
159.04355	1.1
160.01678	4.5
161.02455	7.4
161.04567	3.8
163.04047	2.3
165.01930	2.3
175.04015	5.5
177.01909	2.1
177.05556	1.7
178.99937	1.1
179.03500	3.1
179.05569	1.1
185.06071	1.3
187.04047	1.3
190.02751	1.2
191.05640	2.5
199.03786	1.2
199.07681	1.1
205.05119	1.5
209.11824	11.8
210.12158	7.4
215.03635	0.9
221.04613	1.1
227.03474	1.7
228.13292	1.1
229.05115	4.6
235.06195	1.0
236.31120	0.9
243.06636	6.7
255.02953	2.1
256.03516	1.0
257.04520	2.7
269.04617	3.9
271.06085	4.1
271.22891	1.2
283.22781	4.8
284.03271	1.8
285.04050	30.9
289.07175	1.7
300.02740	1.4
301.03571	1.0
301.07016	1.0
323.07639	2.7
337.09375	2.2
341.09048	1.2
363.12134	4.0
364.12494	3.9
400.24210	3.1
401.25433	4.1
417.28549	1.6
431.26202	1.0
433.27954	1.1
444.29272	1.1
445.28055	74.8
446.28415	11.1
462.30402	1.0
502.28827	1.3
504.31848	2.7
506.29504	9.0
507.29929	2.1
532.29004	2.8
533.29932	6.6
548.30707	61.8
549.30981	11.1
560.15314	1.1
592.25824	16.1
593.12317	2.9
593.18555	3.6
593.26459	4.6
593.34821	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	591.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.9
60.99305	14.8
61.98829	17.1
71.01379	1.6
72.61358	0.5
73.02947	0.6
78.95866	1.0
85.02940	0.6
87.00896	1.3
88.00392	2.0
88.98811	100.0
89.02446	14.9
89.99162	1.2
95.75683	0.4
101.02438	1.0
113.02425	0.6
119.03468	0.4
129.03297	0.4
131.03490	0.9
134.67473	0.4
146.46042	0.5
149.04570	1.2
175.04065	0.5
183.51190	0.4
218.52612	0.5
231.69489	0.5
315.89191	0.4
501.32217	3.1
518.29584	0.6
531.29077	1.7
591.32104	4.3
592.32159	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24265	0.2
53.68420	0.2
55.01855	0.3
57.03434	1.1
59.01098	0.4
59.01374	4.1
61.98829	100.0
62.98532	0.3
69.03455	0.3
71.01389	2.9
71.56609	0.3
72.99314	0.5
73.02956	0.7
75.00878	1.9
83.01420	0.7
85.02956	2.4
87.00899	1.0
88.98837	0.4
89.02460	2.1
93.03477	0.9
95.01378	0.3
96.96070	0.5
96.96971	0.4
97.02989	0.3
99.00917	0.5
99.04568	0.4
101.02444	1.4
109.02994	0.5
111.00912	0.3
113.02454	1.3
115.00404	0.2
116.92873	0.7
117.02018	0.2
117.03469	2.3
119.03539	0.6
119.05034	1.1
121.02995	1.7
123.04544	0.4
125.02444	1.5
129.01953	0.7
131.03583	0.3
137.02492	1.2
141.01982	0.2
143.03488	0.2
145.02971	14.5
146.03345	0.7
149.00757	0.4
149.02437	0.3
151.00441	0.7
151.04042	0.5
159.03043	0.4
159.04329	0.2
159.08308	0.2
160.01634	0.3
161.02448	0.3
163.04025	1.4
165.01976	0.5
173.04594	0.3
175.03987	0.3
177.02133	0.3
177.04106	1.2
177.05524	0.2
179.03574	0.3
179.05656	0.7
179.10791	0.6
191.01999	0.3
191.05663	0.3
195.05141	1.6
196.05687	0.3
205.01620	0.3
211.03963	0.2
227.03540	0.7
255.03006	3.8
255.05443	0.4
257.04489	0.3
271.02786	0.3
283.02472	9.9
284.03183	1.0
285.04034	6.4
285.07123	0.4
287.05634	0.3
289.07367	0.6
299.02179	0.3
301.03525	1.4
307.08313	0.3
341.11047	0.3
401.14401	0.6
430.08865	1.9
431.09668	1.3
445.11697	0.7
446.08957	0.2
447.09320	6.0
447.15271	0.3
469.13541	0.3
474.17307	0.3
529.15570	7.7
530.15802	1.4
549.18085	0.7
592.19562	2.0
593.14923	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	591.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03449	1.2
58.02966	0.6
59.01379	11.2
61.98828	26.4
63.67173	0.3
65.00329	0.6
69.03490	0.5
70.92561	1.0
71.01385	8.7
71.05035	0.4
72.99313	1.2
73.02950	2.9
74.02480	8.6
75.00885	0.9
78.95905	3.2
81.03467	1.4
83.01389	2.4
83.05051	1.2
85.02948	5.2
86.00077	0.4
87.00893	1.5
88.98806	1.5
89.02450	3.5
89.04010	0.4
91.01900	0.9
93.03437	0.8
95.01413	0.7
95.05014	0.4
96.96954	0.7
97.02938	0.5
98.02499	0.9
98.59193	0.3
99.00899	1.5
99.04518	1.6
101.02448	6.3
105.03442	0.6
107.01405	0.9
108.02190	0.4
109.02940	0.8
111.00874	0.9
113.02454	3.6
115.07725	0.3
116.03550	9.0
116.92880	0.4
117.03513	0.7
119.03445	0.4
119.05039	1.0
121.02959	2.6
123.04543	0.9
125.02457	1.1
127.48955	0.4
129.01892	0.6
131.03506	1.3
132.02184	20.0
133.03021	4.0
134.03755	21.8
135.00923	0.3
135.04597	4.3
136.01735	0.3
137.02443	1.6
139.04045	0.5
143.03448	0.4
145.02888	0.8
147.04572	0.7
149.04585	1.3
149.06082	2.4
151.00392	4.9
151.04012	0.5
152.01158	1.1
152.99619	1.8
153.01932	0.4
159.03001	0.4
160.01672	95.1
161.02075	5.8
161.04581	1.3
163.04039	0.5
175.04010	92.8
176.04352	5.9
177.01956	1.1
177.05582	0.5
178.02699	1.0
178.99843	1.1
179.03493	2.0
179.10785	0.5
189.01869	0.5
190.02739	1.3
191.03465	1.5
191.05579	0.5
193.05066	23.7
194.05396	1.2
197.00899	1.2
203.03473	0.4
205.05063	1.2
209.11942	2.5
211.04056	0.4
221.04547	0.6
223.05992	0.4
227.13019	0.6
235.06073	0.9
255.03099	0.3
265.07224	0.6
283.22800	1.0
285.03802	0.5
287.05603	4.4
288.05954	1.0
299.02020	0.4
337.09436	0.5
341.70612	0.3
343.18375	0.3
363.12177	0.9
385.25821	0.4
399.23886	2.1
445.28018	12.7
487.34485	0.4
504.31757	0.5
505.90088	0.4
506.29578	1.8
531.28058	6.8
532.28394	1.6
548.30676	9.6
576.25861	0.5
591.28040	100.0
592.28369	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	591.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71556	0.8
55.01868	2.7
57.03450	4.8
58.00591	3.7
59.01378	72.2
60.01702	2.2
60.64790	0.8
60.99306	1.8
61.98830	77.9
65.00317	1.3
69.03445	1.7
71.01386	64.4
71.05028	1.7
71.66145	1.7
72.01746	1.7
72.99307	4.7
73.02946	15.5
75.00877	2.9
78.95914	3.9
80.49833	0.8
81.03453	0.9
83.01402	9.9
83.05040	1.4
85.02957	26.8
87.00884	4.0
87.04471	0.9
88.98814	6.9
89.02448	27.8
91.01913	1.0
91.81675	0.9
93.03471	3.1
95.01394	3.8
95.05029	1.4
96.95997	1.2
97.02930	2.7
97.93136	1.5
99.00875	7.6
99.04548	1.4
101.02453	42.3
101.06104	1.0
102.02794	1.0
107.01405	1.8
108.02183	1.8
109.02946	3.0
111.00888	2.3
113.02458	23.9
114.02806	1.0
114.93422	13.1
115.00388	3.7
115.04003	1.5
116.92852	4.6
117.03469	2.0
119.03524	4.8
119.05035	4.7
121.02987	2.2
123.00771	1.1
123.04536	2.2
125.02457	8.5
125.09721	1.4
129.01947	1.9
131.03517	16.3
133.02945	1.3
135.04504	2.3
137.02452	3.6
137.09709	1.3
139.11273	1.0
141.01930	1.2
143.03479	5.4
145.02994	6.0
147.04492	3.3
149.02521	1.7
149.04567	10.6
149.05762	1.2
151.00389	8.0
151.03993	1.3
152.01125	3.4
152.99593	1.4
155.10800	2.7
159.03050	2.5
160.01575	1.9
161.02534	4.4
161.04590	15.4
161.06064	2.4
163.04010	3.3
163.32904	1.1
165.01926	1.2
171.10268	3.8
175.00363	1.2
175.03963	1.5
177.01968	2.3
178.99921	1.1
179.03654	0.9
179.05634	2.3
185.11784	1.8
190.02740	1.9
191.05682	5.4
191.07092	1.1
201.11334	3.3
205.05034	2.5
227.12868	2.0
233.06621	1.1
237.09795	14.7
255.02989	1.6
259.06067	3.5
267.15924	1.2
271.06104	9.4
272.06430	1.7
287.05624	5.8
289.07068	2.1
293.08728	1.2
313.07147	5.5
336.95145	1.0
341.23431	1.7
353.23270	3.7
369.22800	2.3
371.24377	17.2
372.24982	2.3
373.25574	1.2
399.23880	100.0
400.24170	15.1
427.10205	1.2
475.12552	5.5
531.28394	45.1
532.28748	8.6
553.13574	1.7
553.26904	1.2
591.09027	1.9
591.17169	2.2
591.23993	2.1
591.31836	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	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98827	1.3
62.69479	0.3
69.55855	2.1
106.06606	0.5
112.82233	0.3
118.02660	0.3
125.59066	0.3
131.26701	0.3
148.18983	0.2
196.66995	0.3
202.93044	0.3
233.15071	0.3
396.17111	0.5
416.19876	0.3
429.21359	0.4
443.22842	1.8
444.19510	0.5
445.19290	1.4
445.25336	0.4
455.22662	0.9
456.22992	0.8
456.28976	0.4
457.20404	0.3
459.21664	2.5
460.22360	0.5
462.20065	0.3
471.20865	1.2
471.25681	2.3
472.23022	1.0
473.23318	1.1
476.18347	0.5
481.19934	0.3
482.21140	1.6
484.19354	0.4
485.19995	2.0
486.19653	0.6
487.25726	2.8
488.22910	0.4
488.25311	0.4
489.22906	0.6
497.23492	2.7
498.23724	0.9
499.21420	3.9
500.22116	10.8
501.22397	2.9
503.21066	0.3
504.21878	0.5
513.22998	0.6
514.23889	1.3
515.24500	100.0
516.24835	24.7
518.23553	0.6
519.23907	0.5
547.26819	0.5
556.58978	0.3
559.23541	5.2
560.23914	1.6
591.26324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67195	0.6
54.57216	0.5
55.01868	0.7
57.03442	8.3
58.00611	0.7
59.01378	21.8
60.49459	0.5
61.98829	81.9
62.73257	0.5
63.02391	1.2
65.00316	4.4
65.41916	0.5
65.91824	0.7
68.99844	1.0
69.03454	0.8
71.01385	14.1
71.32623	1.3
72.99318	1.9
73.02954	3.4
75.00829	0.6
78.95926	3.4
81.03471	0.9
83.01388	6.0
85.02966	5.2
87.00888	2.2
88.98813	1.9
89.01908	1.0
89.02445	10.3
91.01917	0.9
93.03480	2.0
95.01411	1.8
97.02954	1.5
99.00902	2.3
101.02447	9.8
105.03513	0.7
107.01384	7.1
108.02232	0.9
109.02968	6.0
109.90795	0.6
111.00900	0.7
113.02448	4.7
115.04038	0.9
117.03509	0.9
119.03506	1.7
119.05039	0.9
121.02950	3.3
123.04533	5.5
124.01686	1.3
125.02457	100.0
126.02785	4.3
131.01465	0.6
131.03517	6.9
132.02205	1.3
133.02992	0.9
134.03763	2.5
135.04539	1.1
135.11812	1.0
137.02486	5.3
139.04005	3.6
143.03468	0.8
145.02969	1.2
147.04530	1.6
149.02469	14.7
149.04533	5.8
149.05792	1.0
150.03166	1.5
151.00385	28.1
151.04004	3.5
151.64523	0.7
152.01187	3.1
152.99629	1.8
153.01949	25.0
154.02292	1.0
159.04617	0.6
160.01654	8.4
160.05255	0.5
161.02463	2.7
161.04607	3.6
161.05902	0.8
161.09738	2.3
163.00475	0.6
163.04015	1.6
163.11258	4.2
165.01942	2.4
166.02727	0.7
167.03477	2.8
169.01442	2.4
171.04543	0.6
173.02451	0.8
174.03214	2.3
175.00404	4.3
175.04004	21.7
175.11214	1.1
176.01128	1.2
176.04361	1.1
177.01936	20.5
178.02324	1.0
178.99875	18.2
179.03435	1.5
179.05690	1.1
179.10797	4.6
180.00266	0.9
181.01422	11.4
185.06161	0.6
187.04019	0.6
187.11150	0.7
188.04767	1.4
189.01991	1.5
189.05595	3.7
190.02716	0.9
190.06035	0.7
191.03651	3.0
191.05511	3.5
193.01418	0.9
193.05067	3.5
195.03021	2.2
197.00938	1.7
198.03342	0.6
199.04001	5.8
199.74693	0.5
201.01959	2.5
202.99759	0.7
203.03531	0.6
203.10712	1.0
205.01468	1.0
205.12325	7.5
206.12675	0.9
207.02956	0.8
209.11880	2.2
213.05583	1.2
215.03613	0.6
216.00700	1.1
217.01370	0.7
217.05022	5.8
218.05489	0.6
221.00989	0.7
221.06740	1.3
227.03506	0.5
228.04248	0.7
231.06584	1.6
239.98279	0.6
240.04305	0.8
241.05086	5.3
243.02946	1.1
245.08118	0.6
257.04504	1.5
259.06042	4.3
271.06125	1.1
275.05606	18.8
276.05975	1.5
284.03223	0.9
285.04034	57.6
286.04416	6.2
289.07224	1.3
293.08905	0.7
299.05600	7.2
300.05978	0.7
303.05093	99.3
304.05438	9.5
309.03738	0.9
317.06903	0.8
327.05060	2.7
328.05371	0.6
341.06607	1.1
363.11929	0.7
369.06442	0.8
399.23932	9.9
400.24109	1.6
439.16144	1.4
457.74905	0.6
467.15527	7.3
468.15814	1.8
469.17236	6.5
470.17511	0.8
504.05496	0.6
516.55164	0.6
531.28040	9.1
532.28442	1.9
563.21600	3.2
573.19244	3.5
591.19891	1.7
591.28912	10.3
592.29047	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	591.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82188	1.1
56.40614	1.2
57.03444	3.6
59.01379	27.6
61.98833	10.3
65.00342	1.5
68.50095	1.2
68.99828	1.1
69.03447	2.8
69.53202	10.3
71.01388	26.6
72.99304	7.2
73.02949	5.5
75.00874	28.5
83.01402	3.5
85.02956	23.1
86.03316	1.1
87.00877	8.9
87.04514	1.3
88.98820	5.4
89.02436	11.9
91.04021	1.9
93.03490	4.3
95.01394	4.6
99.00893	11.6
101.02470	7.6
103.00417	1.8
107.01431	1.4
109.02937	2.8
111.00916	2.4
112.16340	1.2
113.02451	23.7
113.33107	1.2
115.00384	3.0
117.01974	4.0
117.03484	2.2
119.03535	2.3
119.05045	2.1
121.02917	2.2
123.04474	1.4
125.02454	4.7
129.01967	3.7
131.03485	1.8
135.03011	26.5
135.04581	5.3
135.11832	6.1
137.02481	3.7
145.02982	6.1
149.02412	1.3
151.00395	7.1
152.01228	1.3
153.09256	1.5
161.02493	1.9
161.04544	2.1
161.09755	4.3
163.00345	1.4
163.04012	2.1
175.02467	1.8
177.04108	3.4
178.99931	1.3
179.05623	2.9
179.10785	26.9
180.11201	1.5
181.07230	1.2
187.04109	1.2
191.05598	2.2
205.07234	1.4
223.09764	1.8
227.03513	1.3
231.04918	2.3
249.06108	16.2
250.06453	1.2
255.02959	12.0
255.06671	1.1
256.03488	1.5
267.07248	7.1
272.06497	1.3
283.02463	25.1
284.02902	2.8
285.00839	3.0
285.04031	61.5
286.04340	7.5
287.05637	5.7
289.07202	5.4
312.12912	1.2
327.05212	2.2
368.17612	1.1
369.22861	2.1
391.25974	1.4
411.16400	2.1
415.16068	1.4
416.07581	3.4
417.08203	13.9
418.08731	2.6
429.17438	12.4
430.17993	2.7
455.15552	2.8
459.09253	1.3
473.16617	34.6
474.17059	3.7
475.17657	1.6
531.28107	1.8
555.20874	1.6
573.18256	1.4
577.99426	1.5
591.19507	100.0
592.19806	19.5
592.27313	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	591.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82188	1.1
56.40614	1.2
57.03444	3.6
59.01379	27.6
61.98833	10.3
65.00342	1.5
68.50095	1.2
68.99828	1.1
69.03447	2.8
69.53202	10.3
71.01388	26.6
72.99304	7.2
73.02949	5.5
75.00874	28.5
83.01402	3.5
85.02956	23.1
86.03316	1.1
87.00877	8.9
87.04514	1.3
88.98820	5.4
89.02436	11.9
91.04021	1.9
93.03490	4.3
95.01394	4.6
99.00893	11.6
101.02470	7.6
103.00417	1.8
107.01431	1.4
109.02937	2.8
111.00916	2.4
112.16340	1.2
113.02451	23.7
113.33107	1.2
115.00384	3.0
117.01974	4.0
117.03484	2.2
119.03535	2.3
119.05045	2.1
121.02917	2.2
123.04474	1.4
125.02454	4.7
129.01967	3.7
131.03485	1.8
135.03011	26.5
135.04581	5.3
135.11832	6.1
137.02481	3.7
145.02982	6.1
149.02412	1.3
151.00395	7.1
152.01228	1.3
153.09256	1.5
161.02493	1.9
161.04544	2.1
161.09755	4.3
163.00345	1.4
163.04012	2.1
175.02467	1.8
177.04108	3.4
178.99931	1.3
179.05623	2.9
179.10785	26.9
180.11201	1.5
181.07230	1.2
187.04109	1.2
191.05598	2.2
205.07234	1.4
223.09764	1.8
227.03513	1.3
231.04918	2.3
249.06108	16.2
250.06453	1.2
255.02959	12.0
255.06671	1.1
256.03488	1.5
267.07248	7.1
272.06497	1.3
283.02463	25.1
284.02902	2.8
285.00839	3.0
285.04031	61.5
286.04340	7.5
287.05637	5.7
289.07202	5.4
312.12912	1.2
327.05212	2.2
368.17612	1.1
369.22861	2.1
391.25974	1.4
411.16400	2.1
415.16068	1.4
416.07581	3.4
417.08203	13.9
418.08731	2.6
429.17438	12.4
430.17993	2.7
455.15552	2.8
459.09253	1.3
473.16617	34.6
474.17059	3.7
475.17657	1.6
531.28107	1.8
555.20874	1.6
573.18256	1.4
577.99426	1.5
591.19507	100.0
592.19806	19.5
592.27313	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	591.1509
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
51.27441	0.7
56.96176	0.7
57.03448	2.8
59.01376	3.8
61.98828	98.0
63.77589	0.7
67.01906	0.6
69.03461	1.2
71.01393	4.4
71.01741	0.6
71.05019	1.4
71.06225	0.6
71.57030	1.1
72.99326	1.0
73.02944	0.8
75.00876	1.8
79.99879	0.6
81.03462	2.9
82.20596	0.6
83.01385	7.2
85.02956	2.4
87.00893	1.0
88.98808	0.9
89.02471	2.5
93.03472	3.4
95.01402	2.0
95.05028	2.2
96.96033	1.5
97.02969	7.9
99.00872	0.9
101.02435	1.8
105.03497	1.1
105.58000	0.7
107.05082	1.1
108.02220	1.2
109.02959	37.0
110.03323	1.5
113.02470	1.9
116.92880	2.2
119.03482	0.8
121.02974	4.1
122.03772	1.2
123.04538	17.5
125.02457	16.7
129.01816	0.7
133.02994	1.0
135.04520	2.8
137.02458	39.7
138.03232	1.6
139.04013	12.4
145.03017	1.8
146.03801	1.0
147.04608	3.4
147.05615	0.9
149.02463	24.8
149.14104	0.7
150.03098	2.1
151.04019	20.6
157.06871	0.6
159.04488	3.7
160.05370	1.4
161.02490	5.5
161.04727	0.9
161.06049	3.4
162.03215	2.5
163.04028	2.3
164.01204	3.4
165.00148	2.0
165.01956	4.7
167.03503	1.9
171.34943	0.7
173.06161	1.3
174.01753	1.3
174.03152	1.1
175.03981	4.3
175.07674	2.6
176.01175	3.0
177.01961	3.8
177.05528	0.8
178.01276	0.7
178.02666	4.1
179.03520	8.6
179.05626	1.4
179.10805	1.0
185.06107	1.5
187.03979	5.3
187.07559	1.0
188.04782	2.8
191.03554	5.4
192.04315	1.5
196.89557	0.8
197.06128	1.9
199.07709	1.5
201.05620	1.4
202.06339	2.1
203.03415	0.7
203.07127	12.4
205.05095	9.0
211.07687	0.7
213.05577	6.4
215.07121	29.4
216.07454	2.4
221.08180	2.9
227.07201	2.1
231.02948	1.2
233.08101	0.7
239.07127	1.1
245.08174	20.1
246.08514	1.5
247.05925	1.0
249.06056	0.9
255.06577	0.8
257.08200	8.0
271.06094	1.5
283.06223	0.9
289.07169	100.0
290.07468	10.1
301.07159	87.1
302.07507	8.6
325.10452	1.7
325.60474	1.4
439.10324	31.3
440.10657	4.7
471.59241	0.8
473.16833	1.7
547.15924	1.1
591.14703	20.7
592.14569	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	591.1515
Annotation	bis-8,8'-Catechinylmethane
Peak:m/z	Relative Intensity
55.53740	0.6
57.03460	3.3
59.01381	10.1
60.99313	1.1
61.98517	0.8
61.98830	13.9
69.03448	1.5
69.38126	5.9
71.01388	9.2
71.05010	1.3
72.99318	1.3
73.02951	2.6
75.00875	2.7
81.03455	3.5
83.01385	5.4
83.05032	1.2
85.02956	3.7
87.00878	1.9
88.98820	5.8
89.02455	3.6
93.03465	4.5
95.01394	2.5
95.05054	3.5
97.02951	7.5
98.20554	1.5
99.00889	2.0
101.02446	4.9
103.05570	0.7
105.03448	0.9
107.04996	1.5
108.02158	1.6
109.02965	36.7
110.03320	1.2
111.00921	3.5
112.45010	0.7
113.02479	3.7
116.92867	1.7
117.03495	0.9
119.03548	0.8
119.05042	3.8
121.02959	5.0
122.03712	1.6
123.04549	19.2
124.01638	0.8
124.04906	0.8
125.02466	20.6
129.01976	0.9
133.02975	1.4
135.02986	1.6
135.04564	4.6
137.02461	37.6
138.02962	1.1
139.04033	12.3
143.03517	0.9
145.03006	3.4
146.03667	0.8
147.04559	3.0
149.02457	25.4
150.02986	1.5
151.00366	2.5
151.04031	18.3
152.04352	1.2
153.01932	1.9
155.10777	3.9
159.03195	1.0
159.04523	3.2
160.01662	1.0
160.05272	1.6
161.02472	6.2
161.04570	1.8
161.06088	5.0
161.09729	0.9
162.00142	0.6
162.03162	1.5
163.04013	4.4
164.01176	2.6
165.01947	4.4
166.02696	1.0
167.03473	1.7
173.06149	1.3
175.03957	3.5
175.07631	1.5
176.01164	2.4
177.01967	3.7
177.04030	1.7
177.05510	0.9
178.02826	3.4
178.99808	1.6
179.03491	8.4
179.05643	1.3
181.05048	1.1
185.06090	1.2
186.53375	0.7
187.04004	5.5
188.04802	3.2
191.03500	5.6
191.05238	0.8
192.04204	1.3
195.05104	0.9
197.06075	2.3
199.07596	0.8
201.05505	1.3
202.06354	2.2
203.03413	0.6
203.07140	13.6
204.07477	1.5
205.05051	7.9
213.05591	5.7
215.07132	26.7
216.07474	2.8
217.05051	1.1
217.08679	0.9
221.08195	2.3
227.07065	2.0
230.05765	0.8
245.08179	18.2
246.08493	2.5
247.06128	2.0
255.06616	1.0
257.08206	7.8
259.06085	1.1
271.06122	4.3
272.06305	0.8
283.02344	2.2
283.05923	1.5
284.03241	1.1
285.03958	2.3
287.05615	2.2
289.07169	100.0
290.07465	8.8
301.07172	78.3
302.07465	9.2
303.05133	1.7
342.26764	0.7
343.12686	0.8
369.22943	1.8
393.09821	0.9
399.23874	2.1
429.21307	1.9
430.21945	0.7
439.10327	25.3
440.10870	3.3
445.20615	2.0
501.28592	0.8
531.28082	5.2
532.28802	0.7
547.15643	1.0
555.15179	1.9
559.14587	1.7
573.16132	0.7
590.23389	0.8
591.14807	19.1
591.23511	1.6
591.30157	2.2
592.14874	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	591.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.4
59.01376	4.1
60.82518	0.2
61.98835	5.6
63.02403	0.7
65.00333	0.8
65.45181	0.3
68.43118	0.2
69.03489	0.3
71.65823	0.2
71.66258	0.5
72.99312	0.5
73.02956	1.0
75.00862	0.7
81.03441	0.3
83.01407	0.8
85.02935	1.5
87.00919	0.3
88.98817	0.9
89.02454	1.8
93.03479	0.8
95.01376	0.3
97.02968	0.3
99.00912	0.6
99.92622	0.7
101.02456	2.0
107.01409	1.3
109.02933	0.6
111.00915	0.5
113.02444	1.3
113.10773	0.3
115.92078	1.1
116.92860	1.1
119.03649	0.2
119.05032	0.6
123.04552	0.5
125.02509	0.6
131.03517	0.7
132.02191	1.4
132.43704	0.3
134.03795	0.3
135.00897	0.9
137.02457	0.9
145.03003	0.6
147.04550	0.3
151.00400	2.5
151.04005	0.4
152.01170	0.7
155.10805	0.6
159.04480	0.5
160.01729	0.4
161.02460	0.7
161.04587	0.6
163.00360	0.8
163.04037	0.7
164.01137	0.9
165.01968	0.4
169.01443	0.6
171.04541	0.3
171.10397	0.2
178.99904	1.6
179.05704	0.3
183.04524	0.9
183.10283	0.5
185.06129	0.4
187.04008	0.9
189.05553	0.3
190.02750	0.3
195.04805	0.2
199.03947	0.4
199.09731	0.3
200.04793	0.6
201.86237	0.2
211.04048	2.0
212.04649	0.4
213.05457	0.5
227.03508	44.5
228.03853	3.8
229.05103	1.7
239.03532	0.9
243.02989	0.3
255.02979	78.5
256.03479	10.7
257.04462	1.6
271.02518	0.5
271.06000	0.5
283.02478	0.8
284.03256	100.0
285.03854	23.9
286.04401	1.7
289.07266	0.4
299.01987	0.5
300.02527	0.4
369.22980	0.3
381.06464	0.4
399.07022	0.7
399.23880	2.7
400.24387	0.4
402.87683	0.3
441.08286	0.3
459.09216	0.8
511.12793	1.5
531.11401	1.0
531.28705	1.8
532.11768	0.4
532.28760	0.3
547.21283	0.4
549.12506	3.4
550.12579	0.5
573.22882	0.3
591.13556	74.1
592.13861	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	590.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98675	0.7
55.01869	3.3
57.03444	4.5
58.00595	2.2
58.02977	4.8
59.01380	40.8
61.98830	41.9
69.03468	1.0
70.02983	2.0
71.01385	38.5
72.00904	2.6
72.04556	4.6
72.99312	2.9
73.02950	14.1
74.02477	96.1
75.00871	1.9
75.02811	1.3
78.95905	1.1
81.03477	0.9
83.01391	9.7
84.04565	0.7
85.02955	22.0
85.77186	0.7
86.00113	1.9
87.00892	3.6
88.98827	5.1
89.02453	17.0
93.03449	1.4
95.01399	2.9
96.96041	1.0
97.02964	1.1
98.02480	8.0
98.03743	2.5
99.00887	5.5
99.02303	0.7
101.02457	35.3
102.02816	1.0
109.02979	1.7
111.00899	4.6
113.02470	15.1
113.03259	1.2
114.02730	0.8
116.03552	89.7
116.92857	1.4
117.03962	1.8
119.03508	4.8
119.05058	1.7
121.02960	1.5
123.04532	0.9
125.02455	6.2
129.01962	2.7
130.08763	1.1
131.03537	5.1
135.04536	1.0
137.02458	1.9
141.01962	2.1
143.03520	1.2
145.02946	1.8
149.04561	7.1
151.00352	2.6
152.01077	2.6
155.00395	0.8
159.03023	2.2
161.02444	0.8
161.04585	4.6
163.04001	0.9
167.03419	1.0
171.10223	1.2
173.04628	0.8
174.01668	2.1
175.04025	1.0
177.01907	0.9
178.99838	1.6
179.05652	2.2
191.05603	3.5
193.05144	1.0
201.11334	1.0
205.05168	1.0
209.11858	0.7
233.00923	2.5
259.06085	2.4
260.06409	1.6
263.20108	1.0
281.21228	3.0
287.05591	4.7
288.05872	1.9
289.06985	1.1
313.07138	1.0
329.02924	0.7
399.23849	6.4
412.07611	1.4
415.26996	1.3
425.25409	5.4
429.24933	1.0
431.26825	1.0
442.27951	1.6
443.26508	100.0
444.26837	13.6
445.11246	1.7
484.28995	1.7
502.30066	4.2
504.28214	12.5
505.28616	2.1
530.26630	0.9
531.28424	8.0
546.29144	70.5
547.29388	15.6
553.13489	0.9
554.14172	1.0
590.29083	1.2
591.16968	1.7
591.25574	1.4
591.31128	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	11.7
60.22962	0.8
61.98830	100.0
65.98654	0.7
69.71943	0.8
69.95935	0.7
71.01401	2.1
71.58940	0.8
71.59382	0.8
72.99311	1.0
73.02960	1.4
75.00874	6.9
75.55158	0.7
78.95924	1.6
81.03480	0.7
87.00877	6.1
89.02457	1.2
99.92617	0.7
101.02450	2.0
107.43343	0.6
115.92093	1.8
116.92884	0.9
119.03548	0.8
148.23235	0.7
153.77533	0.7
161.04631	1.2
171.10272	1.0
195.13971	2.9
223.13367	2.0
253.09290	12.9
260.76498	0.7
275.20135	1.6
291.19330	0.9
293.21207	34.7
294.21545	4.6
332.57651	0.8
501.32312	1.5
529.31226	1.7
571.33246	1.4
589.33313	6.1
590.33911	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	590.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34364	0.5
52.34652	0.4
55.32736	0.5
59.01379	0.7
61.98830	100.0
78.95956	0.5
98.19868	1.6
119.30142	0.5
120.17217	0.6
146.72931	0.5
218.72934	0.5
229.69037	0.5
397.07190	0.6
411.08926	0.5
421.06995	1.1
422.07715	0.6
422.37445	0.5
441.10330	0.5
455.11478	1.1
465.09760	0.9
466.10614	0.7
509.12543	6.1
510.12854	1.1
525.78992	0.5
527.13428	9.9
528.14032	2.1
553.14215	0.6
558.15894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
60.99304	0.4
61.98825	100.0
62.98525	0.2
64.78279	0.1
70.45800	0.1
70.46136	0.3
71.01369	0.1
72.99317	0.2
78.95916	0.7
83.05028	0.1
85.02962	0.1
87.00878	1.4
88.00417	0.3
88.98807	2.7
89.02454	0.7
107.58414	0.1
109.06579	0.1
112.73229	0.1
132.17412	0.1
132.76115	0.1
146.54051	0.1
152.99602	0.2
161.02448	0.1
163.11244	0.1
207.10356	0.2
209.11873	0.2
211.13429	0.3
225.11395	0.1
240.90028	0.1
475.27225	0.1
573.24573	0.2
590.31805	0.4
591.33105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
59.01372	16.3
59.37705	0.9
61.98827	90.6
62.48980	0.9
62.63588	0.9
70.17120	1.5
70.17513	2.5
71.01378	13.7
72.99297	4.0
73.02910	1.1
75.00866	11.7
78.95892	1.0
85.02948	13.0
87.00883	5.8
89.02467	3.0
95.01388	3.2
99.00904	5.3
99.01448	0.9
101.02504	1.1
103.00372	2.1
113.02446	17.9
115.00365	1.0
116.79266	0.9
117.01929	1.8
120.24508	0.9
135.03265	1.0
152.99806	1.1
175.02483	1.9
205.07184	1.1
225.11411	1.5
249.06084	3.5
254.65353	1.0
267.07147	3.3
277.21732	32.3
278.22064	4.4
309.20831	1.2
509.27328	1.8
527.28552	100.0
528.28870	22.7
528.36835	1.2
591.35187	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	589.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
57.03442	2.0
58.00582	1.1
59.01376	16.7
61.98830	10.5
65.03925	0.5
67.01852	0.5
68.99818	0.7
69.03455	1.3
69.54064	3.8
71.01382	24.7
72.99313	4.1
73.02950	3.3
75.00465	0.7
75.00877	12.7
78.95877	0.5
81.03439	0.8
83.01384	1.7
83.05031	0.7
85.02959	14.7
87.00877	5.4
87.04508	0.6
88.98817	0.9
89.02446	5.8
91.02465	0.5
91.04028	0.5
93.03461	1.8
95.01402	3.8
96.96021	1.3
97.02983	0.9
97.41518	0.5
98.19948	1.0
99.00887	6.6
99.04539	1.0
101.02444	3.9
102.02801	0.5
103.00377	1.7
108.24683	0.4
109.02962	1.0
109.37518	0.5
111.00872	1.6
111.04475	0.8
113.02461	15.9
114.02847	0.5
115.00385	11.3
116.00761	0.5
116.92819	0.5
117.01958	1.5
117.28864	0.4
119.03517	0.9
119.05054	2.0
121.02998	0.8
123.04549	0.8
123.61021	0.5
124.50926	0.5
125.02441	2.8
127.04001	0.5
129.01938	1.8
131.03493	0.8
133.01463	4.2
133.02985	0.9
135.11798	4.2
137.02473	1.7
137.14833	0.5
145.02971	2.0
149.02412	0.6
149.04543	1.1
150.03255	0.9
151.00381	0.6
151.04045	1.0
153.01962	0.8
155.10805	1.0
157.01398	0.9
161.02432	1.8
161.04596	1.2
161.09760	1.3
163.00398	1.0
163.04030	1.7
165.01930	1.1
165.05518	0.5
166.16516	0.5
166.99873	0.5
171.10298	1.1
173.04633	0.9
175.02487	1.6
175.03938	1.0
177.01967	0.8
177.04071	1.0
179.05663	1.1
179.10780	15.2
180.11139	1.1
181.07155	1.1
183.10123	0.5
189.04089	0.7
193.05240	0.5
195.05115	1.3
201.11353	1.8
223.09724	0.8
231.05112	2.1
245.08186	0.5
249.06145	17.3
250.06483	1.7
267.07190	4.8
285.04077	0.7
289.06998	1.2
301.07156	0.5
327.05283	0.9
371.24335	1.1
389.25562	0.6
407.07437	0.5
411.16687	0.7
429.17636	22.1
430.18015	2.9
453.08441	1.4
454.08752	0.6
455.15549	0.7
471.12979	0.5
473.16626	100.0
474.16949	17.9
502.30234	0.6
503.14999	0.5
517.30005	1.9
529.27393	0.5
545.26642	0.7
589.17645	2.6
589.30078	0.7
590.20331	0.9
590.30908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01380	4.4
60.41073	0.3
60.99317	0.3
61.98830	11.2
63.02408	2.0
65.00323	6.2
65.01719	0.3
65.52380	0.2
66.72173	0.2
68.99838	0.3
69.77924	0.8
69.78355	1.0
71.01379	2.5
72.99319	0.3
73.02955	0.9
78.95912	0.6
83.01389	5.1
84.93584	0.2
85.02975	0.7
87.00877	0.4
88.98823	0.7
89.02453	2.0
93.03466	4.6
95.01383	0.5
96.96038	0.6
96.96971	0.2
97.02970	0.3
98.20599	0.5
99.00884	0.3
101.02470	2.2
107.01407	10.2
108.01724	0.3
109.02963	0.8
111.00906	0.3
111.08167	3.0
113.02463	0.9
113.51038	0.2
117.03490	1.0
119.03617	0.7
119.05042	27.5
120.05380	1.1
121.03013	0.4
121.81148	0.2
123.04566	0.4
125.02462	6.5
125.06130	0.4
130.08755	0.3
131.03535	0.5
133.02983	0.6
134.03752	0.4
135.04514	1.3
137.02461	0.9
143.05046	0.5
145.02957	3.1
149.02478	0.4
149.09802	0.3
151.00388	49.1
152.00732	2.0
153.09166	0.3
161.02483	0.4
161.04666	0.5
161.06104	1.1
163.03987	0.3
165.01947	2.3
167.10760	0.3
168.00716	0.5
169.01440	1.4
169.08873	0.3
173.02594	0.2
173.08200	7.5
175.00352	1.6
175.04019	0.4
177.01936	4.7
179.03520	0.4
185.06125	1.6
187.04037	2.1
187.07671	0.4
187.09767	0.3
189.01857	0.4
193.01459	0.5
197.06610	0.3
197.08186	1.9
201.11467	0.3
203.07164	0.4
209.11766	0.4
211.09624	0.3
215.09227	2.5
221.08278	0.3
227.07224	1.9
228.07584	0.3
229.04956	0.6
233.00922	3.6
239.09314	1.1
257.08032	0.6
257.10349	5.0
271.06104	100.0
272.06433	9.9
287.05591	1.7
295.06152	0.8
313.07336	0.3
317.12433	8.3
318.12833	0.8
337.06876	0.3
379.06720	1.3
397.22348	0.8
411.07227	1.0
412.07562	0.4
469.13220	0.3
529.26471	0.6
545.23834	0.3
546.29401	0.5
553.26465	0.3
557.13092	0.4
589.19196	9.5
589.31799	2.3
590.19733	2.2
590.34167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03446	2.3
58.00585	0.8
58.08477	0.3
59.01378	6.7
61.98829	18.3
63.99268	0.6
67.67830	0.3
69.03465	0.5
69.48283	2.5
71.01381	4.2
72.99309	0.5
73.02949	3.0
75.00874	0.5
81.03448	0.4
83.01389	0.5
83.05043	0.4
85.02951	2.0
87.00875	0.3
87.04519	4.1
88.98827	1.2
89.02450	2.0
90.14200	0.3
93.03443	0.3
95.01388	0.3
95.05045	0.4
96.96033	0.7
97.02979	0.9
99.00865	0.4
101.02451	2.3
107.01389	0.3
109.02955	0.7
109.06585	0.3
111.04515	0.3
113.02473	1.5
114.93432	0.4
116.92888	0.4
117.03475	0.3
119.03488	0.7
119.05056	0.9
119.08676	0.3
121.02944	0.4
122.03736	0.3
125.02440	1.4
125.09715	0.3
133.03020	0.4
135.04526	0.5
135.08176	2.6
136.56155	0.3
137.02513	0.6
137.09746	14.8
137.96214	0.3
138.10046	0.6
139.11290	1.0
145.02948	1.3
150.03255	0.6
151.00386	1.2
151.11322	0.7
153.01881	0.4
155.10800	76.3
156.11137	4.0
161.02472	1.8
163.03989	0.4
165.05487	0.6
167.10770	0.8
169.12364	3.6
177.01949	0.3
179.10809	0.5
181.08755	4.3
182.08910	0.3
185.11963	0.3
195.06630	0.5
196.06752	0.3
197.07239	0.3
199.09764	23.9
200.10167	1.3
213.11348	2.7
217.05067	0.3
232.17374	0.3
241.10809	8.9
242.11101	0.8
259.06247	0.3
271.06116	1.4
283.02460	0.3
285.03967	0.7
361.15106	0.3
369.06363	0.5
451.24240	0.3
539.22107	0.3
587.30750	100.0
588.31110	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	587.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49150	0.7
57.03443	1.5
58.65445	0.8
59.01375	4.5
61.98829	14.4
68.04897	0.7
69.60104	0.7
71.63165	0.9
71.63549	0.9
78.95906	2.6
84.00896	0.7
87.00890	2.9
96.96970	3.1
99.00878	10.0
99.92593	38.9
100.92599	2.6
100.93369	2.9
115.92088	79.5
116.92159	5.0
116.92868	100.0
117.92913	6.5
117.93669	1.2
133.72235	0.8
278.92307	0.8
305.26337	0.7
393.53259	0.8
455.31577	1.2
467.31689	1.2
470.17560	1.8
487.34271	23.7
488.34775	4.0
489.15570	1.4
493.81433	1.0
521.23578	1.0
525.26910	1.3
527.33606	1.2
539.24475	1.2
541.04279	0.9
552.25458	1.4
554.23877	1.0
557.25555	3.5
558.26080	0.9
569.25757	3.1
570.25793	2.1
587.26904	98.6
588.27155	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.76821	0.2
57.03451	2.0
58.00592	0.9
59.01101	0.4
59.01378	5.2
61.98831	2.2
69.45169	1.6
71.01383	3.2
72.99306	0.5
73.02949	3.2
73.20189	0.2
79.41432	0.2
83.01384	0.2
83.05008	0.3
85.02955	0.8
87.04517	3.9
88.98816	0.4
89.02447	1.7
92.31138	0.2
95.05037	0.3
97.02945	0.6
98.10979	0.2
98.19901	0.4
99.00903	0.2
101.02451	2.3
109.06587	0.3
110.14801	0.2
113.02466	1.0
119.05007	0.2
120.05815	0.3
121.06625	0.3
123.08182	0.3
125.02475	0.4
125.06081	0.4
131.01294	0.2
132.98824	0.2
135.08183	3.0
137.09737	14.1
138.10085	0.8
139.11317	0.8
149.09724	0.2
151.00328	0.3
151.11334	0.6
155.10793	73.6
156.11127	4.0
167.10806	0.4
169.12343	3.0
181.08710	3.9
182.09077	0.3
185.11920	0.3
195.06767	0.3
197.11882	0.4
199.09763	23.0
200.10121	1.3
213.11339	2.6
214.11658	0.2
223.09787	0.2
228.95187	0.3
241.08319	0.5
241.10805	9.0
242.11172	0.9
301.12717	0.3
587.30743	100.0
588.31079	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	587.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.5
58.00586	1.3
58.86853	0.6
59.01378	9.6
61.98827	12.7
68.02930	0.8
69.03490	0.6
71.01385	6.4
72.60646	0.6
72.99290	1.3
73.02945	4.9
75.00893	1.5
81.03459	1.2
85.02939	3.6
87.00881	1.4
87.04528	7.1
88.98787	0.9
89.02465	3.1
93.03449	1.3
95.05003	1.0
97.02959	1.2
97.06590	0.7
99.04521	1.5
101.02458	6.2
109.02979	1.1
113.02480	2.7
119.03508	0.8
119.05035	1.4
121.02969	1.4
123.00861	0.8
123.04501	1.1
125.02470	2.3
133.02995	1.1
135.08200	2.6
137.02452	2.6
137.09737	16.9
138.03340	0.9
138.10092	1.0
139.11290	1.5
143.03526	0.6
149.02455	9.1
150.03128	1.0
151.00331	0.7
151.04004	1.5
151.11313	1.0
153.01979	0.8
155.10793	100.0
156.11142	5.7
160.01622	0.7
161.02448	2.3
161.04532	1.1
163.00471	1.1
165.12886	0.8
167.10773	1.0
168.00566	0.8
169.12343	4.0
175.04015	1.0
177.01941	43.4
178.02721	11.2
179.03445	1.2
181.08719	3.3
183.13889	1.6
187.07697	1.0
192.04301	10.1
193.05070	16.0
194.05396	1.2
195.03008	1.1
195.06639	0.9
199.09761	59.3
200.10165	3.1
201.11337	0.9
207.06670	0.8
210.05359	1.4
213.11284	6.4
227.12839	2.1
231.06514	0.7
241.08333	1.1
241.10782	17.9
241.13112	1.3
242.11183	0.9
255.12485	0.8
271.11871	1.5
301.12921	10.7
355.10474	1.9
361.15076	4.6
371.24283	0.8
389.18048	1.5
389.25381	3.2
436.69907	0.7
451.06628	0.8
454.58929	0.8
525.19513	0.9
527.24982	1.9
569.22449	57.0
570.22833	9.7
587.23407	39.1
588.24072	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	587.256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20911	0.5
57.03460	0.5
58.00597	0.9
59.01374	15.8
61.98814	0.9
66.24947	0.4
69.50240	1.1
69.50663	2.7
71.01388	10.6
72.99299	1.1
73.02934	0.7
75.00880	0.7
78.95901	1.1
83.01383	1.1
85.02946	2.2
85.06596	6.6
87.00851	0.9
89.02451	10.0
95.01391	1.0
96.96031	3.3
96.96978	1.1
97.06615	0.5
101.02459	6.2
113.02457	5.0
113.06099	2.2
115.07661	0.9
116.92902	0.6
119.03514	3.8
123.04554	0.5
127.07655	0.9
131.07153	34.1
132.07491	1.1
133.86563	0.5
143.03574	0.6
145.02963	0.8
161.02406	0.6
173.08153	1.5
293.12405	100.0
294.12778	7.2
406.58249	0.5
587.22321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16302	0.3
59.01384	4.3
61.98833	4.1
71.01382	0.8
78.79115	0.2
78.95901	0.5
98.19832	0.5
98.69090	0.2
99.92574	0.3
115.92038	0.4
116.92892	0.4
148.33141	0.3
159.04523	2.2
169.74506	0.3
173.06157	0.3
187.03970	1.2
188.04794	2.9
189.05519	1.1
202.06395	2.1
213.05594	0.5
214.06335	1.8
215.03500	29.7
215.06888	0.9
216.03812	2.6
220.90030	0.3
227.03484	3.3
230.05833	100.0
231.06319	11.8
232.06961	0.5
241.05078	2.1
242.05817	3.2
243.06580	7.0
244.06850	0.4
256.07394	0.6
257.04568	0.3
257.08124	1.5
258.08939	6.5
259.09573	0.8
269.11725	0.7
277.21692	0.3
277.93375	0.3
293.11832	0.5
295.09781	0.8
313.14474	2.8
337.14420	1.0
386.11826	0.3
387.08710	0.7
389.10089	0.4
399.08453	0.3
400.08853	0.3
401.10248	0.3
403.11951	0.4
413.10205	0.4
427.11697	0.5
428.12415	0.4
429.09213	0.4
429.13910	0.3
431.11316	1.6
432.11880	0.3
443.82028	0.3
445.12909	1.2
446.13766	3.7
447.14148	1.5
455.11362	0.6
471.14310	1.0
473.12329	6.3
474.12820	1.2
481.20770	0.3
487.14081	0.5
488.14871	2.2
489.15521	51.5
490.15826	9.6
527.33234	0.6
569.22681	0.3
573.57990	0.3
587.22882	76.4
588.23236	18.6
588.32678	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
61.98835	2.8
69.40296	2.1
69.40714	0.8
89.02467	0.4
99.92587	3.2
115.92075	6.3
116.92868	8.1
117.92922	0.6
131.05046	0.3
159.04544	2.2
160.04904	0.4
180.57039	0.3
187.04015	1.5
188.04672	1.5
189.05542	0.4
202.06329	1.9
214.06314	1.6
215.03500	26.3
216.03836	1.7
225.05626	0.4
227.03499	5.9
230.05829	100.0
231.06288	11.7
241.05035	2.8
242.05812	5.0
243.06601	5.7
257.08176	1.0
258.08939	7.2
259.09366	0.8
269.11728	2.4
285.11304	0.5
293.21194	2.2
313.11060	0.6
313.14459	7.1
314.14697	1.2
356.16272	1.1
387.08801	0.7
387.88077	0.3
415.07880	0.4
427.11664	0.4
429.04639	0.4
429.09756	1.3
431.11301	1.0
445.12897	2.1
446.13724	1.8
447.14114	0.7
455.11630	0.4
470.14063	0.5
471.14459	0.8
472.14938	0.4
473.12344	13.4
474.12628	2.4
488.14774	6.0
489.15506	55.3
490.15826	10.4
490.22168	0.3
527.33356	0.6
557.25464	0.5
587.22644	52.0
588.22882	12.8
588.35693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.229
Annotation	CHEBI:67786
Peak:m/z	Relative Intensity
54.02194	0.2
54.78766	0.2
59.01367	0.6
61.98817	1.9
66.46175	0.2
71.01382	0.2
74.90536	0.2
78.95889	0.4
87.12074	0.2
96.96983	0.2
98.52563	0.2
99.92596	0.8
115.92087	4.3
116.92091	0.3
116.92859	0.5
159.04552	1.1
173.05975	0.2
173.95973	0.2
187.04034	0.8
188.04778	1.9
189.05559	0.8
192.31039	0.2
201.05586	0.3
202.06378	1.7
203.06772	0.3
213.05571	0.3
214.06425	1.6
215.03499	19.7
215.06972	0.8
216.03799	1.4
217.05002	0.3
225.05565	0.5
227.03482	2.6
228.03851	0.4
229.86380	0.3
230.05827	75.1
231.06377	10.3
232.06915	0.5
241.05096	2.5
242.05806	3.9
243.06586	5.4
244.06923	0.6
255.06622	0.3
256.07413	0.7
257.04523	0.3
257.08206	1.7
258.08957	5.2
259.09500	0.8
269.11816	1.0
293.11621	0.4
295.09735	0.8
301.00818	0.2
313.14426	2.6
314.14777	0.6
337.14456	0.9
338.15182	0.3
385.10712	0.3
386.11008	0.3
387.08661	0.7
400.09402	0.4
401.10248	0.4
402.07059	0.3
403.11765	0.3
412.09818	0.4
413.09982	0.4
417.13489	0.3
426.10593	0.3
427.11731	0.8
428.12344	0.3
429.09000	0.4
429.13907	0.5
430.06628	0.3
430.13721	0.3
431.11270	1.3
444.07843	0.4
445.12979	1.2
446.13571	2.6
447.14365	1.0
455.11182	0.6
471.14511	0.7
472.14749	0.4
473.12225	6.9
474.12704	1.6
487.13751	0.8
487.34119	0.3
488.14697	2.6
489.15500	22.6
490.15973	4.5
527.20819	0.3
527.34351	0.3
543.20239	0.6
569.21442	0.4
587.22821	100.0
588.23126	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	587.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.2
59.01376	6.7
61.98829	1.3
69.03462	0.4
69.30290	0.4
69.30705	1.2
71.01377	2.9
73.02959	0.4
75.00877	0.4
78.95914	0.2
81.03463	0.2
83.01379	0.8
85.02966	0.9
87.00877	0.7
88.98827	0.5
89.02446	2.6
89.03996	0.3
89.71828	0.2
91.89885	0.2
93.03484	0.4
95.01422	0.4
99.04482	0.2
101.02464	2.0
105.03466	0.4
107.05045	0.2
109.03004	0.2
113.02463	1.9
115.01928	0.2
117.03484	0.7
119.03506	0.7
119.05029	0.2
123.04537	0.4
125.02460	0.3
131.03569	0.2
132.02176	1.8
133.02968	32.3
134.03276	1.7
135.04547	3.6
137.02481	0.5
143.03496	0.3
145.02937	0.3
151.04022	0.3
152.15945	0.1
155.10764	0.3
159.04436	0.2
160.01669	0.1
161.02454	100.0
162.02786	5.8
163.20877	0.2
179.03497	2.6
179.05577	1.0
180.03864	0.2
192.21645	0.1
199.78769	0.2
221.04547	0.3
323.10132	0.2
340.11023	0.2
341.10873	1.5
365.08484	0.2
383.11841	0.4
527.14075	0.9
545.15057	2.4
546.15411	0.3
587.16150	32.1
588.16504	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	587.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01370	2.9
60.99310	0.3
61.98825	9.3
62.20705	0.3
63.02397	2.3
65.00318	6.3
69.57661	2.1
71.01385	1.9
72.99298	0.5
73.02962	0.3
78.91894	0.4
78.95909	0.7
83.01379	6.1
84.38989	0.3
85.02946	0.8
88.98819	1.2
89.02464	0.8
92.10873	0.3
93.03468	5.3
97.02966	0.4
98.20695	0.7
101.02430	0.8
107.01392	12.9
108.01665	0.4
109.02974	0.5
109.06610	1.3
111.00897	0.3
111.04491	0.4
113.02439	0.6
117.03493	1.0
119.05034	29.3
120.05394	1.6
121.02948	2.3
121.06574	0.4
123.04505	0.5
124.01723	0.4
125.02457	7.4
127.07670	2.8
131.01335	0.6
135.00935	0.3
135.04530	1.2
137.02443	0.9
143.05023	0.6
145.02940	2.5
149.02437	0.4
149.99516	0.4
151.00377	47.8
151.07613	0.8
152.00668	2.0
161.02400	0.4
161.06076	1.1
165.01974	2.2
168.00583	0.8
169.01471	1.9
171.06642	3.7
172.07014	0.4
175.00381	1.4
177.01949	4.5
177.05559	4.8
179.03415	0.4
185.06070	1.6
187.04005	1.7
188.04674	0.3
189.01926	0.4
193.08755	0.5
195.06659	2.2
207.06639	0.3
209.08263	0.4
211.07695	0.8
213.07707	1.4
219.06612	1.7
227.07108	2.3
229.04944	0.6
237.07704	2.1
255.08646	0.7
260.06317	0.3
271.06079	100.0
272.06424	9.3
287.05692	0.7
295.05954	1.1
300.56372	0.4
305.43823	0.4
315.10852	8.7
316.10983	0.8
325.14880	0.3
387.24973	0.3
466.62399	0.4
527.24548	0.4
587.17688	9.2
587.27539	1.0
587.30426	0.6
588.18109	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	587.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13537	0.2
58.08439	0.2
59.01378	1.5
59.73619	0.2
61.98829	3.8
69.44727	0.2
70.45894	0.8
78.95924	0.2
98.20557	0.3
99.92616	0.4
110.18767	0.2
115.92088	1.6
116.92870	0.4
124.00039	0.2
159.04501	0.7
187.04036	0.5
187.07664	0.4
188.04822	1.4
189.05495	0.5
201.05582	0.3
202.06413	1.2
213.05583	0.3
214.06416	1.5
215.03502	15.8
215.06995	1.0
216.03893	1.3
217.05144	0.3
227.03496	2.6
230.05829	58.0
231.06427	9.9
232.06966	0.5
241.05083	2.5
242.05820	2.8
243.06586	3.9
244.06819	0.4
251.07062	0.5
251.10640	0.2
255.06467	0.5
256.07312	1.0
257.08157	1.8
258.08923	3.6
259.09610	0.9
267.10269	0.3
269.11765	1.0
293.11911	0.8
295.09744	1.5
297.11148	0.2
301.67526	0.2
313.14413	2.9
314.14978	0.3
337.14459	1.7
338.15082	0.6
387.08685	0.4
399.08237	0.4
400.09402	0.6
401.10226	0.4
413.10199	0.4
426.10922	0.4
427.11899	0.8
429.14041	0.5
431.11197	0.9
445.13028	1.3
446.13849	1.1
447.14334	0.4
455.11261	0.4
470.13455	0.4
471.14352	1.0
471.31122	0.4
473.12335	8.9
473.31705	0.3
474.12500	2.0
481.20020	0.4
487.13812	1.3
488.14639	3.9
489.15494	15.4
490.15955	3.1
525.22980	0.3
527.20361	0.3
527.33160	0.5
568.27759	0.3
569.21820	0.7
587.22845	100.0
588.23187	23.6
588.31342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
58.00600	0.1
59.01378	5.5
61.98826	2.7
69.03456	0.3
71.01380	2.9
73.02938	1.0
75.00889	0.4
81.03485	0.2
83.01389	1.1
85.02966	0.9
87.00881	1.3
89.02448	1.7
91.92887	0.2
93.03470	0.3
95.01423	0.3
97.02972	0.3
99.00906	0.2
101.02454	2.0
102.02801	0.2
105.03470	0.5
107.27762	0.2
108.97048	0.1
109.03017	0.3
113.02466	2.0
115.00423	0.2
117.03474	1.6
119.03519	0.6
121.02896	0.2
123.04588	0.3
125.02461	0.3
129.01938	0.2
131.03459	0.2
132.02193	1.8
133.02971	28.7
134.03255	1.5
135.04533	5.1
135.05522	0.3
135.89684	0.2
136.04871	0.3
137.02461	0.5
141.01901	0.2
143.03516	0.4
145.03015	0.4
150.03242	0.4
161.02460	100.0
162.02794	5.2
163.04025	0.3
165.05583	0.3
175.02457	0.5
175.03865	0.2
177.01877	0.2
177.04071	0.2
177.05563	0.3
179.03508	3.2
179.05594	0.5
180.03935	0.3
189.05550	0.2
195.06697	0.4
205.04999	0.2
228.04140	0.2
251.05740	0.2
289.07037	0.2
316.58676	0.2
323.07404	1.2
324.08130	0.2
329.46454	0.2
332.47626	0.2
341.10883	1.4
367.20114	0.2
383.12000	1.2
384.30457	0.2
401.14548	0.2
425.13605	0.2
433.24573	0.2
448.75415	0.2
455.20694	0.2
470.34903	0.2
485.12701	0.2
527.13367	0.3
545.15039	3.8
546.15277	0.7
587.16162	23.9
588.16492	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	587.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
58.48339	0.2
59.01381	5.1
61.98836	1.1
62.01045	0.2
62.99918	0.2
69.03468	0.2
69.44386	1.6
71.01384	2.0
73.02946	1.3
76.77660	0.2
78.95915	0.4
83.01369	0.9
85.02966	0.6
87.00877	1.7
89.02459	1.0
89.03951	0.3
93.03499	0.2
95.01402	0.4
96.96028	1.2
96.96983	0.8
97.02917	0.2
100.13769	0.2
101.02454	1.7
105.03483	0.4
109.02948	0.2
113.02475	1.6
117.03506	1.5
117.51013	0.1
119.03529	0.4
121.02964	0.2
123.04553	0.3
125.02443	0.4
132.02188	1.7
133.02974	28.9
134.03247	1.3
135.04543	5.3
136.04855	0.2
137.02444	0.2
159.04538	0.2
160.01701	0.2
161.02461	100.0
162.02797	5.8
177.01831	0.2
179.03502	2.9
179.05606	0.3
180.03996	0.2
189.05582	0.2
199.04404	0.2
201.11334	0.3
230.39589	0.2
233.04539	0.3
243.12296	0.2
271.03281	0.2
323.07578	1.6
341.10739	0.6
383.11984	1.1
527.14001	0.8
545.14972	3.5
546.15283	0.7
587.16174	21.7
588.16565	3.9
588.25903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.1
57.31390	0.1
58.12716	0.1
59.01367	0.7
61.67484	0.1
61.98826	100.0
62.37322	0.1
62.98519	0.2
62.99246	0.1
63.72594	0.1
63.99262	0.6
69.03457	0.1
71.01403	0.5
72.99300	0.1
73.02968	0.2
75.00880	0.2
79.95740	0.3
82.53419	0.1
83.01379	0.1
85.02956	0.3
87.00865	0.1
88.98798	0.2
89.02454	0.3
93.03453	0.1
94.98101	0.2
96.96014	13.4
97.02975	0.1
99.00876	0.2
101.02440	0.3
105.82973	0.1
108.02157	0.2
109.02940	0.2
113.02482	0.2
117.03472	0.1
119.05038	0.3
121.02939	0.2
123.04533	0.2
125.02452	0.4
126.47542	0.1
133.02979	0.2
135.04538	0.2
137.02429	0.3
137.09763	0.2
145.02971	0.3
145.22641	0.1
150.56067	0.1
151.00349	0.6
152.01123	0.2
153.01955	0.2
155.10831	0.7
161.02411	0.3
163.03999	0.2
167.95117	0.1
168.00539	0.1
168.51762	0.1
169.01373	0.1
171.10251	0.3
175.03976	0.1
178.99879	0.2
179.03511	0.1
186.84593	0.1
190.02667	0.1
193.08406	0.1
195.06531	0.1
199.09702	0.2
243.02945	0.1
255.02875	0.3
271.02386	0.6
271.05774	0.3
285.04047	0.2
287.05463	0.2
289.06982	0.1
300.02679	1.1
301.03314	0.5
323.09903	0.1
489.10403	1.4
569.18311	0.1
586.27515	0.2
587.13489	0.2
587.22729	0.3
587.30310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	0.1
57.31390	0.1
58.12716	0.1
59.01367	0.7
61.67484	0.1
61.98826	100.0
62.37322	0.1
62.98519	0.2
62.99246	0.1
63.72594	0.1
63.99262	0.6
69.03457	0.1
71.01403	0.5
72.99300	0.1
73.02968	0.2
75.00880	0.2
79.95740	0.3
82.53419	0.1
83.01379	0.1
85.02956	0.3
87.00865	0.1
88.98798	0.2
89.02454	0.3
93.03453	0.1
94.98101	0.2
96.96014	13.4
97.02975	0.1
99.00876	0.2
101.02440	0.3
105.82973	0.1
108.02157	0.2
109.02940	0.2
113.02482	0.2
117.03472	0.1
119.05038	0.3
121.02939	0.2
123.04533	0.2
125.02452	0.4
126.47542	0.1
133.02979	0.2
135.04538	0.2
137.02429	0.3
137.09763	0.2
145.02971	0.3
145.22641	0.1
150.56067	0.1
151.00349	0.6
152.01123	0.2
153.01955	0.2
155.10831	0.7
161.02411	0.3
163.03999	0.2
167.95117	0.1
168.00539	0.1
168.51762	0.1
169.01373	0.1
171.10251	0.3
175.03976	0.1
178.99879	0.2
179.03511	0.1
186.84593	0.1
190.02667	0.1
193.08406	0.1
195.06531	0.1
199.09702	0.2
243.02945	0.1
255.02875	0.3
271.02386	0.6
271.05774	0.3
285.04047	0.2
287.05463	0.2
289.06982	0.1
300.02679	1.1
301.03314	0.5
323.09903	0.1
489.10403	1.4
569.18311	0.1
586.27515	0.2
587.13489	0.2
587.22729	0.3
587.30310	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.8
59.01377	19.3
61.75341	0.4
61.98832	7.7
62.45513	0.4
68.99818	0.4
69.03449	1.4
69.81763	2.1
69.82187	0.8
71.01385	11.0
72.99318	2.7
73.02932	1.9
75.00877	22.5
83.01382	1.2
84.02151	0.4
85.02954	8.6
87.00882	6.8
87.04500	0.5
88.98884	0.4
89.02450	3.3
93.03477	0.6
95.01380	0.5
96.96020	0.8
97.02956	2.8
99.00894	3.8
101.02444	4.9
105.01888	0.4
111.00890	1.2
113.02457	1.5
115.04012	0.9
119.03522	0.5
121.02964	1.1
122.91954	0.4
129.01949	8.0
130.02275	0.6
131.03497	0.6
133.04074	0.5
137.02440	1.1
139.11302	14.4
140.11633	0.6
140.56117	0.4
141.01950	2.4
159.02989	3.1
163.06149	2.6
163.11357	1.1
165.01997	1.1
177.04060	28.6
178.04414	1.1
181.07207	4.7
181.12355	8.7
183.10274	20.6
184.10596	1.2
191.05479	0.5
195.05084	2.7
195.06671	0.8
197.11958	0.4
199.13373	2.7
206.97525	0.4
223.08180	1.2
225.11331	8.2
226.11615	0.9
243.12360	16.9
244.12639	1.5
267.07056	0.4
285.13403	1.8
338.37677	0.5
347.16742	0.6
361.15106	1.0
374.37518	0.4
385.15121	0.9
389.18152	2.4
403.16052	2.9
407.19217	8.1
408.19351	0.7
421.17215	1.5
425.60449	0.5
467.09656	0.4
496.20267	0.5
531.20343	0.6
549.21844	2.7
567.22534	1.0
585.23987	100.0
586.24402	17.1
586.31567	0.3
590.30280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97601	0.3
55.68195	0.3
57.03446	0.5
59.01376	4.9
61.98826	54.7
62.98526	0.4
63.99260	0.3
65.03968	1.0
67.01882	0.4
70.92434	0.3
70.92766	0.7
71.01383	3.9
72.99310	0.5
73.02943	1.5
75.00854	1.5
80.91700	0.5
83.01395	0.6
85.02975	1.4
87.00899	0.9
87.04519	0.5
88.98801	2.8
89.02436	1.5
91.01897	17.9
92.02213	0.8
93.03480	0.7
95.01423	0.7
96.95986	0.4
97.02948	0.4
100.93201	0.3
101.02456	2.6
107.01405	1.0
108.02183	0.4
109.02955	3.7
113.02465	1.5
115.00331	0.3
116.92860	0.6
117.03445	0.6
119.03606	0.3
119.05038	1.3
121.02957	0.8
123.00874	0.3
123.04536	1.0
125.02444	1.4
133.02983	0.8
134.03752	0.3
135.00893	7.2
135.04509	1.6
137.02443	1.9
137.09720	0.4
139.11293	0.8
145.02992	1.4
146.03412	0.3
149.02472	0.7
149.99606	0.7
150.03159	0.4
151.00407	2.4
151.03973	1.1
153.01956	4.8
155.10776	1.9
160.01669	0.7
161.02515	2.0
161.04543	0.9
163.04008	0.9
165.01933	0.4
165.05569	0.7
167.03528	0.4
168.00609	0.6
169.01216	0.4
173.04604	0.3
175.04053	0.6
177.01968	0.4
178.02457	0.3
178.99863	48.6
180.00198	2.9
181.12341	0.7
183.10275	1.4
191.05516	0.3
193.01462	0.4
193.05122	0.3
195.06615	1.0
197.00908	100.0
198.01244	4.9
199.09720	1.4
199.13448	0.3
208.03693	0.4
223.06090	0.4
225.11292	0.5
241.10689	0.3
243.12306	2.6
255.12357	0.3
259.19077	0.3
271.02713	0.3
271.06024	1.4
285.03864	0.3
285.13397	1.2
287.05548	1.7
289.07080	0.4
291.18085	0.6
300.02640	0.4
325.11487	0.3
345.15576	0.5
405.17682	1.0
423.22528	2.3
424.22943	0.5
476.11105	0.4
477.11206	1.8
524.35242	0.4
525.28491	0.8
525.35699	0.4
547.21606	0.8
549.15942	0.5
549.29175	0.9
585.17419	1.5
585.29694	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	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.1
59.01373	0.9
61.98826	100.0
62.98532	0.2
62.99255	0.1
71.01392	0.4
73.02940	0.1
83.01410	0.2
85.02970	0.1
86.38912	0.1
88.98813	0.3
89.02440	0.1
93.03485	0.3
97.06648	0.1
98.19926	0.3
101.02458	0.1
109.02955	0.2
119.05051	0.1
121.02979	0.1
122.03766	0.2
123.04498	0.1
124.01638	0.2
125.02452	0.6
133.02971	0.1
135.04607	0.1
139.11285	0.2
140.11623	0.1
145.02957	0.2
149.02451	1.0
150.03242	2.1
151.00385	0.2
152.01042	0.1
153.01964	0.1
155.10793	0.2
161.02441	0.3
162.03142	0.3
163.03957	0.2
164.04758	0.1
165.05585	2.2
168.00652	0.3
177.05580	0.1
179.03429	0.1
180.04370	0.2
183.10324	0.2
184.10587	0.2
195.06638	1.4
195.08289	0.1
225.11420	0.1
243.12378	0.7
244.12724	0.5
285.04019	0.2
285.13385	0.1
286.13919	0.3
299.09122	0.1
303.05167	0.1
328.13297	0.2
341.10397	0.2
345.15674	0.2
346.16116	0.3
359.14957	0.5
371.15048	0.3
405.17657	0.3
406.18130	0.3
468.88931	0.1
507.20114	0.2
524.35046	0.2
536.20380	0.2
537.20972	0.9
547.21307	0.1
584.24573	0.4
585.25836	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	585.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67422	0.4
55.86752	0.3
56.27267	0.4
57.03441	8.0
58.76235	0.4
59.01369	1.6
61.98832	14.9
65.00319	5.6
68.99796	0.6
69.49679	2.9
71.01385	1.7
73.02934	0.5
75.00878	0.8
79.01893	0.4
81.03467	0.5
83.01395	6.2
85.02962	1.2
85.79676	0.4
87.00892	0.6
89.27271	0.3
91.01905	0.6
93.03465	4.1
95.01402	0.9
97.02944	0.9
101.02435	0.9
105.03487	1.0
107.01399	8.3
108.02180	0.9
109.02968	5.9
110.03294	0.9
111.00865	0.7
113.02467	0.5
121.02962	3.4
123.00894	0.8
123.04537	3.4
124.01665	2.4
125.02460	100.0
126.02787	3.7
131.01408	1.1
133.02995	0.8
134.03751	1.2
135.04549	0.6
136.01709	0.5
137.02458	7.5
139.04034	3.6
143.05020	0.5
145.02940	0.6
146.03793	0.5
147.04546	1.1
149.02463	13.1
149.06102	1.6
150.03131	1.2
151.00386	31.3
151.03966	2.5
152.01135	3.6
153.01955	32.7
154.02344	2.0
155.02487	0.6
159.04575	0.6
160.01674	1.3
160.30962	0.4
161.02452	1.3
161.06117	0.6
163.00394	5.6
163.03995	1.1
165.01939	1.7
165.05571	0.5
167.03485	2.4
168.00659	0.5
169.01418	1.2
171.04552	1.3
173.02467	0.6
173.06126	0.4
174.03212	1.7
175.00412	5.2
175.04013	12.8
176.01125	1.6
176.04391	1.0
177.01947	20.7
178.02373	1.4
178.99879	14.9
179.03429	1.8
179.66745	0.4
180.00247	0.8
181.01428	2.5
184.14337	0.6
187.04012	0.6
188.04793	2.6
189.05557	4.0
191.03523	2.5
193.01392	0.8
193.05070	0.9
195.02992	2.1
195.04805	0.5
197.06059	0.5
199.04010	6.7
200.04462	0.4
201.02000	2.0
202.99889	0.6
205.01498	0.8
213.05502	1.9
215.03575	0.7
216.04340	1.2
217.01476	0.5
217.05043	7.7
218.05420	0.7
219.03084	0.6
227.03513	0.7
228.04129	0.6
231.06644	0.8
239.03412	0.7
239.05563	0.9
241.05043	6.4
242.05449	0.8
243.02922	0.8
255.02818	0.5
256.03781	0.9
257.04538	2.4
259.06125	4.1
265.04980	0.4
267.02939	0.6
275.05594	17.2
276.05826	1.6
281.06760	0.8
284.03281	5.0
285.04031	51.6
286.04340	4.9
299.05588	5.6
300.05984	0.5
303.05099	82.5
304.05438	8.6
309.03928	0.9
317.06677	0.7
327.05099	1.5
341.06601	0.6
387.23962	0.5
407.09985	0.6
419.10040	0.5
420.10138	0.7
421.10229	1.8
433.07690	2.8
435.09265	6.3
445.02167	0.6
445.07761	7.6
446.08051	0.9
461.07184	10.5
462.07495	2.0
463.08612	1.3
557.13000	8.0
558.13348	1.2
567.11493	13.5
568.11920	3.0
585.12555	6.3
585.22491	2.4
586.12866	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03439	0.8
58.00589	0.2
59.01103	0.3
59.01379	4.8
60.08668	0.1
61.98829	100.0
68.55426	0.2
69.03469	0.2
69.44730	1.4
71.01385	4.4
72.99319	0.2
73.02954	1.9
75.00861	0.3
78.95921	0.3
79.94843	0.2
81.57415	0.2
83.01403	1.1
83.01814	0.2
85.02956	2.8
87.00900	0.4
88.98840	0.2
89.02436	0.8
93.03490	0.6
95.01395	0.4
97.02975	0.4
98.53784	0.2
99.00916	0.8
101.02458	3.5
102.02758	0.2
107.01437	0.3
108.02181	1.0
109.02963	1.7
111.00902	0.5
113.02467	1.7
114.28773	0.2
116.92885	0.5
117.03518	0.3
119.03548	0.3
119.05061	0.6
121.03001	0.6
123.00905	0.4
123.04557	0.5
124.01686	0.4
125.02489	1.5
129.01956	0.2
133.02969	0.2
134.03737	0.3
135.00967	0.2
135.04543	0.6
136.26759	0.2
137.02432	0.9
137.09721	0.2
141.09262	0.2
145.02980	0.6
149.02464	0.2
149.99603	0.4
151.00391	1.1
151.04053	0.5
152.01210	1.2
153.01964	1.6
155.10820	0.3
159.03047	0.5
160.01678	0.3
161.02495	0.7
161.04634	0.5
161.09772	0.2
163.04056	0.5
165.02003	0.3
167.14044	0.2
168.00673	0.9
169.01158	0.2
171.13924	0.3
173.04645	0.2
175.04070	0.3
177.01941	0.2
179.03577	0.2
187.04100	0.2
187.13422	0.2
193.83702	0.2
197.00940	0.3
199.09810	0.2
201.15080	0.3
213.04189	0.4
224.46304	0.2
271.06125	0.9
278.80453	0.2
282.33096	0.2
287.05789	0.3
301.03818	0.2
359.28122	0.4
361.29605	2.2
362.30048	0.3
377.28754	0.2
523.34784	20.3
524.35132	3.4
547.21832	0.3
565.22662	0.2
583.23553	3.9
584.24054	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11696	0.1
50.37719	0.1
50.49372	0.1
52.88212	0.1
59.01374	1.2
61.98825	100.0
62.98513	0.2
69.67446	0.3
69.67860	0.5
71.01377	0.7
73.02956	0.3
74.49254	0.1
78.95865	0.1
79.00781	0.1
83.01412	0.2
85.02966	0.4
88.98831	0.3
89.02420	0.2
93.03461	0.2
94.98090	0.2
99.00867	0.1
101.02460	0.4
108.02216	0.2
109.03004	0.4
113.02463	0.3
119.05051	0.3
125.02476	0.4
133.02965	0.1
134.53104	0.1
135.04570	0.2
137.02455	0.4
145.02968	0.2
149.02449	0.1
151.00331	0.2
151.04095	0.1
152.01129	0.1
153.01936	0.3
155.10849	0.2
161.02473	0.4
163.04015	0.3
168.00682	0.2
177.02007	0.1
190.10396	0.1
199.09880	0.2
205.05023	0.1
221.15280	0.1
225.11125	0.1
271.06168	0.3
285.04022	0.2
317.27161	0.1
325.77740	0.1
361.30167	0.1
368.60684	0.1
420.12051	0.1
425.02979	0.1
523.34875	0.3
524.35083	2.1
566.23663	0.1
584.23743	0.6
585.26294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58854	0.6
55.01870	1.3
57.03452	5.5
58.00604	1.2
59.01377	12.6
61.98830	21.2
64.21682	0.6
65.81437	0.6
68.99817	1.2
69.03452	3.5
69.48291	5.7
69.48620	0.7
71.01385	14.6
72.53019	0.5
72.99308	3.6
73.02944	2.4
75.00875	36.5
83.01392	2.8
83.04993	0.8
84.02165	0.9
85.02958	11.7
87.00876	11.1
87.04516	1.8
87.19952	0.6
88.98827	1.2
89.02451	4.7
93.03471	1.8
95.01357	0.8
95.05069	0.6
97.02944	5.0
99.00889	6.0
101.02470	3.8
103.00364	0.7
108.02195	1.6
109.02931	2.4
111.00903	3.1
111.08212	1.5
113.02442	1.7
115.03986	0.6
116.92834	0.7
117.01920	1.2
117.03477	1.1
119.05045	1.5
123.04565	1.3
124.01703	0.8
125.02471	5.5
129.01958	15.7
134.05908	0.6
137.02463	1.6
137.09734	1.7
139.00391	0.8
141.01932	3.7
143.94643	0.6
145.02965	3.4
149.00676	11.0
149.99678	0.7
150.01031	4.0
151.00258	10.9
151.01343	1.2
152.01158	1.8
153.01976	1.5
155.10788	5.0
156.11130	1.2
159.03018	5.7
160.01770	1.1
161.02473	1.0
161.06038	0.7
163.04010	1.5
165.05551	1.0
165.12868	13.3
166.13214	1.5
167.17102	0.7
168.00647	1.4
173.04613	1.3
175.04079	1.1
177.04068	33.0
178.04422	1.7
178.99919	1.2
179.03476	1.0
179.10806	1.5
183.13924	27.2
184.14276	2.2
191.05670	0.7
192.99654	5.7
193.99940	3.2
194.99084	5.2
195.05118	17.8
196.05609	0.6
197.00914	0.7
197.15495	1.5
199.09818	3.3
207.13737	1.0
209.11823	2.0
211.09782	1.4
225.14915	0.9
227.12898	13.6
228.13123	0.9
251.12907	1.5
255.12643	0.7
269.13858	0.9
283.11942	1.8
285.12531	0.8
320.23877	0.7
369.15848	0.8
373.14862	1.9
387.16693	4.3
405.17664	5.1
406.18045	0.9
421.12820	0.7
507.20889	2.6
529.19196	1.3
539.14343	8.1
540.14545	1.5
547.22021	1.4
565.21307	23.9
566.21661	4.1
583.22430	100.0
584.22711	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	583.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
58.00578	1.1
58.99582	1.1
59.01379	12.6
61.98829	30.7
67.83070	0.9
69.45010	0.7
71.01382	7.0
71.06727	0.7
73.02946	4.2
75.00855	1.0
83.01386	2.0
83.05017	1.0
85.02967	5.5
87.04524	8.4
88.98789	1.1
89.02446	2.3
91.01893	3.5
91.05526	3.0
93.03463	3.4
95.01383	1.7
97.02937	1.6
98.19868	1.9
99.00920	0.9
101.02466	5.8
107.01368	1.3
108.02189	2.5
109.01165	3.2
109.02957	3.3
110.03283	0.7
111.04508	0.9
112.34223	0.8
113.02464	2.8
116.92863	4.3
117.03471	9.3
119.05041	11.8
121.02964	1.3
123.02769	4.2
123.04600	1.0
123.99890	0.8
125.02466	3.9
128.48535	0.8
128.90190	1.4
129.01944	1.8
133.06570	0.8
135.00867	0.9
135.04491	2.2
135.08189	1.4
137.02467	6.0
137.09764	8.0
139.00385	0.7
139.07623	2.1
139.11310	1.1
145.02974	27.6
146.03279	1.7
149.00670	6.4
149.02477	1.5
150.01448	3.6
150.03247	4.2
151.00322	2.0
151.02243	78.2
151.11299	1.4
152.01256	1.0
152.02580	5.1
153.01958	3.7
155.10794	30.5
156.11092	1.8
161.02446	3.9
161.04637	1.3
161.06070	2.3
163.00316	1.4
163.04015	8.3
163.07587	1.0
163.11269	1.2
165.05560	3.0
168.00688	1.3
169.12337	1.9
173.04604	1.1
177.00198	0.9
177.09296	0.9
178.99866	2.6
179.05634	1.1
179.10844	4.4
180.04221	0.9
181.08699	3.8
181.12357	1.0
191.10684	1.6
192.99655	2.9
195.01218	78.5
195.06616	3.1
195.10275	2.2
196.01530	4.7
197.00885	3.3
199.09761	18.9
200.10248	0.9
203.64259	0.9
205.05101	3.5
211.07561	1.0
215.07076	1.1
223.09706	1.2
235.06140	0.9
237.11421	0.8
239.00180	37.5
240.00511	3.1
241.10799	4.2
265.07111	1.4
283.11823	9.6
284.12567	0.9
343.14038	5.1
387.15045	0.9
509.39056	0.8
520.12067	0.9
523.27667	1.3
523.34900	10.9
524.34851	1.1
535.19348	1.2
539.15912	5.8
545.17426	1.7
547.21729	25.0
548.21979	4.4
583.14905	100.0
583.22198	3.5
584.15204	21.5
584.23792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.1
59.01374	0.7
61.98829	100.0
62.98532	0.2
63.99231	0.2
71.01392	0.2
71.58949	0.1
71.59348	0.2
75.00902	0.2
78.91899	0.4
78.95930	0.2
85.02980	0.2
87.00853	0.1
88.98814	0.2
89.02444	0.1
89.23115	0.1
96.96015	0.3
125.02453	0.3
137.02467	0.3
209.76646	0.2
216.95184	0.1
271.06097	0.2
385.20013	0.1
522.34253	0.5
547.32971	0.3
582.27704	0.6
583.34589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.9
61.98828	3.2
61.99093	0.6
66.92953	0.5
69.95689	1.5
69.96098	1.1
78.95908	23.7
79.75706	0.5
95.13960	0.6
115.92084	1.4
116.92905	0.9
143.84433	0.5
152.99580	4.1
166.73735	0.5
168.04291	2.6
179.89278	0.8
180.90132	0.8
196.89525	1.4
224.06920	9.0
239.40517	0.6
242.07954	2.1
252.01517	0.5
283.26413	100.0
284.26752	12.4
360.19144	0.6
508.34045	77.1
509.34314	14.5
583.19922	2.3
593.84918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86016	0.4
57.03510	1.4
59.01128	1.2
59.01454	5.8
60.99370	0.6
61.98553	3.9
61.98907	35.4
63.02476	1.7
65.00034	0.8
65.00409	6.6
67.33488	0.4
69.03542	0.9
71.01469	3.5
71.66109	0.7
73.03040	1.4
75.00574	0.6
75.00972	1.8
78.95975	0.9
81.03546	0.7
82.97088	0.4
83.01487	5.3
85.03062	1.5
87.00929	0.9
87.04596	0.9
88.98814	4.2
89.02460	2.3
93.03467	6.1
95.01488	1.4
96.96060	0.6
97.03020	1.1
99.00935	0.8
101.02547	1.7
105.02029	1.3
107.01405	11.8
108.02294	2.2
109.02969	3.5
109.72560	0.5
112.04114	0.6
113.02516	0.9
116.92934	0.6
117.03481	2.8
119.03815	1.1
119.05043	28.4
120.05470	1.3
121.02966	3.1
122.03819	0.6
123.00248	0.6
123.00905	2.7
123.03774	0.7
123.04491	2.6
124.01685	5.3
125.02470	19.2
126.02879	0.8
127.79046	0.5
131.01447	1.2
133.03052	1.1
134.03864	0.7
135.01010	0.7
135.04547	2.4
137.02487	3.6
137.09789	0.5
138.03316	0.9
139.04062	0.5
143.05078	1.0
145.02977	8.8
146.03374	0.7
149.02589	1.7
149.34024	0.5
149.99605	7.0
150.00648	0.6
150.03267	0.6
151.00388	46.1
151.03969	1.2
152.00957	2.5
152.68605	0.6
153.01964	2.8
153.05632	0.7
155.10898	1.5
160.01714	0.6
161.02458	2.6
161.04828	0.6
161.06178	1.0
162.03264	0.8
163.04089	1.0
165.01988	3.7
165.05644	0.9
166.02750	0.8
167.03522	4.2
168.00656	14.0
169.01459	3.5
171.04494	0.5
172.05305	0.5
175.00398	4.3
175.04088	1.4
177.00406	1.0
177.01923	5.9
177.05721	0.6
178.02650	1.1
179.03525	1.2
183.10269	0.5
185.06175	1.7
187.04095	2.2
187.07758	1.7
188.07979	0.5
189.01840	0.6
191.05589	1.0
193.01482	2.0
193.05101	2.3
199.09761	1.2
201.05612	0.6
205.01411	0.7
205.05206	0.7
209.04657	1.6
217.03302	0.6
218.46126	0.5
227.07182	1.9
231.06734	0.7
257.08292	1.1
269.06732	2.4
270.06729	0.5
271.06110	100.0
271.19196	1.5
272.06464	10.6
285.04013	1.4
285.07333	0.7
289.07132	0.7
295.06186	4.3
297.06207	1.7
303.05109	0.9
311.07739	8.3
313.07019	1.6
331.06976	0.5
341.10385	0.7
437.10538	1.9
547.21240	0.9
563.30920	0.6
582.35291	0.9
583.14105	3.7
583.23346	25.1
584.14496	1.3
584.23792	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	582.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34848	0.1
57.03435	0.2
59.01374	2.5
61.98827	100.0
62.98527	0.3
70.61197	0.4
71.01375	1.1
72.01731	0.2
72.99319	0.2
73.02958	0.3
75.00871	0.2
83.01400	0.4
85.02526	0.1
85.02947	0.5
87.00890	0.4
88.98815	0.4
89.02459	0.4
93.03477	0.3
95.01400	0.2
95.05017	0.1
99.00946	0.1
101.02453	0.7
105.01949	0.5
107.01411	0.1
108.02206	0.2
109.02993	0.2
113.02456	0.4
117.03426	0.2
119.03493	0.1
119.05054	0.4
121.02974	0.3
123.00851	0.2
123.04527	0.3
124.01699	0.3
125.02466	1.1
132.02184	0.2
133.03003	0.2
135.04544	0.3
137.02475	0.3
139.11316	0.5
145.02974	0.9
147.04559	0.1
149.02422	0.1
149.99606	0.4
150.03246	0.3
151.00378	0.4
151.03911	0.2
153.01976	0.2
155.10829	0.2
160.01645	0.2
161.02457	1.1
161.04614	0.2
162.03238	0.6
163.03966	0.4
163.11269	0.1
165.01979	0.4
165.05569	0.5
168.00652	0.7
168.02908	0.1
169.01299	0.2
175.04083	0.2
177.01820	0.1
177.05594	0.3
179.03503	0.2
179.05705	0.2
181.12398	0.4
183.10309	0.6
185.98595	0.1
195.06667	0.3
196.06903	0.1
199.09773	0.1
199.13464	0.1
225.11362	0.5
241.34290	0.1
243.12343	2.1
255.02994	0.2
256.03452	0.2
259.06024	0.6
271.06067	0.2
283.06168	0.2
284.03223	0.2
285.03970	0.6
285.13501	0.4
286.04382	0.3
287.05585	0.6
315.14563	0.2
345.15598	1.1
357.11935	0.2
360.28442	0.2
405.17679	0.7
521.33490	0.2
522.33643	1.9
523.34674	0.6
547.21893	0.3
555.14838	0.2
565.23224	0.2
582.14899	0.2
582.22760	0.9
582.30377	0.1
583.14313	0.3
583.24438	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	582.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01373	2.5
61.98827	100.0
62.98528	0.4
69.03455	0.3
69.46747	2.1
71.01382	2.9
72.99311	0.5
73.02959	0.8
75.00872	2.1
78.95866	0.3
83.01397	0.3
85.02965	1.2
86.03320	0.3
87.00877	0.8
89.02459	0.7
91.05914	0.2
93.03497	0.8
93.08633	0.2
95.01387	0.3
97.02993	0.5
99.00900	0.6
101.02462	0.7
108.02184	0.8
109.02972	1.3
113.02464	0.3
115.00390	1.9
116.00728	0.4
116.92876	0.6
121.02976	0.8
123.04516	0.3
125.02472	0.6
129.01979	0.7
133.01442	4.1
133.02992	0.7
134.01790	0.9
134.03757	0.5
135.04541	2.5
137.02435	1.3
149.06169	0.4
151.00371	0.6
151.04120	0.4
152.01158	1.1
153.01888	0.6
154.02451	0.3
155.10858	0.4
159.03018	0.4
161.02467	2.6
161.04602	0.6
162.03230	0.5
163.04057	0.3
165.00244	0.4
165.01945	0.2
166.00491	0.3
168.00604	0.2
170.52423	0.3
177.04051	1.5
177.05589	1.1
178.04449	0.6
179.03488	3.3
181.12411	0.5
182.12659	0.4
195.05150	1.0
196.05438	0.3
199.09818	0.3
208.99181	0.4
221.04626	1.3
225.11217	0.4
235.48355	0.3
251.05649	1.1
256.03198	0.3
256.16507	0.4
281.06696	2.3
282.06885	0.3
289.07275	0.4
299.02039	0.4
300.02826	0.7
301.03360	0.6
341.08771	1.9
342.09238	0.3
419.09915	0.3
421.12915	0.7
447.09241	0.4
448.09564	0.7
513.81024	0.3
519.15021	1.2
520.15314	0.4
564.20123	1.3
565.20471	0.3
582.14685	1.1
582.22162	4.0
582.30029	0.5
583.21234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01374	2.2
61.98827	100.0
62.98540	0.2
71.01381	1.7
72.99309	0.3
73.02943	0.6
75.00865	1.1
83.01408	0.4
85.02950	1.1
86.03333	0.2
87.00914	0.4
89.02456	0.8
93.03465	0.9
95.01401	0.2
99.00919	0.5
101.02461	0.9
108.02208	0.2
109.02979	0.4
113.02468	0.5
119.03526	0.3
119.05074	0.2
121.03026	0.3
125.02454	0.4
129.01962	0.5
134.03769	0.5
137.02469	1.0
137.09761	0.2
138.02815	0.3
145.02985	0.3
145.69473	0.2
149.02483	0.3
150.03267	0.4
151.04041	0.3
153.01979	0.3
155.10773	0.3
160.01720	0.6
161.02405	0.2
162.00620	0.2
165.01945	0.2
165.05586	0.4
173.04570	0.9
173.05922	0.2
175.02649	0.3
175.03978	1.1
177.04025	1.0
179.03517	0.2
181.07191	0.4
183.10329	0.3
191.05614	0.2
191.07173	0.2
193.05066	1.0
194.05484	0.2
195.05086	0.4
195.06754	0.4
218.60892	0.1
225.07811	0.3
228.05424	0.2
235.06183	0.2
243.12108	0.2
249.06190	0.2
281.09286	0.3
289.07288	0.5
292.08249	0.2
299.10492	0.3
311.10349	0.3
329.11517	0.3
343.12936	0.2
358.10538	0.3
359.11136	0.3
373.12964	0.5
374.13297	0.4
405.17853	0.3
419.17361	0.4
420.10391	0.5
420.17508	1.6
421.15198	0.6
480.01474	0.2
507.16760	0.5
519.17108	3.0
520.17419	0.4
533.13458	0.3
551.14917	0.9
565.17065	0.3
582.21820	1.2
583.23303	3.0
583.31232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01374	2.2
61.98827	100.0
62.98540	0.2
71.01381	1.7
72.99309	0.3
73.02943	0.6
75.00865	1.1
83.01408	0.4
85.02950	1.1
86.03333	0.2
87.00914	0.4
89.02456	0.8
93.03465	0.9
95.01401	0.2
99.00919	0.5
101.02461	0.9
108.02208	0.2
109.02979	0.4
113.02468	0.5
119.03526	0.3
119.05074	0.2
121.03026	0.3
125.02454	0.4
129.01962	0.5
134.03769	0.5
137.02469	1.0
137.09761	0.2
138.02815	0.3
145.02985	0.3
145.69473	0.2
149.02483	0.3
150.03267	0.4
151.04041	0.3
153.01979	0.3
155.10773	0.3
160.01720	0.6
161.02405	0.2
162.00620	0.2
165.01945	0.2
165.05586	0.4
173.04570	0.9
173.05922	0.2
175.02649	0.3
175.03978	1.1
177.04025	1.0
179.03517	0.2
181.07191	0.4
183.10329	0.3
191.05614	0.2
191.07173	0.2
193.05066	1.0
194.05484	0.2
195.05086	0.4
195.06754	0.4
218.60892	0.1
225.07811	0.3
228.05424	0.2
235.06183	0.2
243.12108	0.2
249.06190	0.2
281.09286	0.3
289.07288	0.5
292.08249	0.2
299.10492	0.3
311.10349	0.3
329.11517	0.3
343.12936	0.2
358.10538	0.3
359.11136	0.3
373.12964	0.5
374.13297	0.4
405.17853	0.3
419.17361	0.4
420.10391	0.5
420.17508	1.6
421.15198	0.6
480.01474	0.2
507.16760	0.5
519.17108	3.0
520.17419	0.4
533.13458	0.3
551.14917	0.9
565.17065	0.3
582.21820	1.2
583.23303	3.0
583.31232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
56.97107	0.2
57.03449	0.7
59.01378	5.2
60.99310	0.5
61.98831	100.0
63.99284	0.3
65.33157	0.3
69.03461	1.0
71.01389	5.3
71.59805	0.5
72.99313	3.9
73.02957	2.9
75.00877	91.2
76.01225	1.2
78.95922	0.6
81.03474	0.4
83.01385	1.6
85.02955	3.1
87.00854	0.7
87.04547	0.3
88.98814	1.8
89.02448	1.1
93.03476	1.5
95.01403	1.1
96.95979	0.4
97.02961	1.2
99.00879	1.0
99.04505	0.3
99.92603	0.8
101.02464	4.4
107.01368	0.9
108.02167	0.7
109.02958	1.0
111.00899	0.5
111.04538	0.5
113.02467	1.7
116.92882	6.2
117.01945	0.4
117.03439	0.8
117.92883	0.5
119.05006	1.4
121.02949	1.1
122.03770	0.5
123.00892	2.1
123.04516	0.9
124.01683	6.1
125.02468	14.4
126.02806	0.7
129.01862	0.3
134.03793	1.5
135.04556	0.5
136.01761	0.3
137.02446	1.9
143.04991	0.9
144.05327	0.3
145.02975	2.7
146.03288	1.1
149.02408	0.6
149.99603	7.6
150.03250	1.3
151.00388	2.6
151.04053	0.3
153.01945	0.5
159.02998	0.4
160.01591	0.4
161.02370	0.7
161.04546	0.7
163.03940	0.8
165.01884	0.6
165.05511	1.3
167.03516	0.5
168.00661	15.9
169.01395	2.3
173.04533	0.6
175.04001	0.7
177.01900	0.5
185.06058	0.3
191.05623	1.7
193.05005	1.1
195.06599	0.7
209.11789	0.6
223.16949	0.3
227.06956	0.5
228.07352	0.7
243.12227	0.4
244.12489	0.3
269.17255	0.3
271.02734	0.5
271.05927	1.9
272.06143	0.4
287.05371	0.5
299.25757	0.4
313.05353	0.4
331.06409	0.3
353.01822	0.3
355.11499	0.3
367.11777	0.6
389.25116	0.6
487.09842	0.4
521.33008	0.3
537.15088	0.3
545.32581	1.1
563.21021	1.0
581.21832	20.6
581.34631	88.3
582.22052	3.9
582.34955	17.2
582.49396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.1
57.03441	0.3
58.00561	0.2
59.01091	0.2
59.01375	2.4
60.99307	0.5
61.98827	100.0
62.98532	0.2
69.03497	0.1
71.01388	1.5
71.59472	0.2
73.02944	0.6
75.00874	0.2
80.82408	0.1
81.03442	0.1
83.01402	0.4
85.02949	0.8
87.00928	0.2
88.98812	2.9
89.02423	0.7
91.01912	0.2
92.56731	0.1
93.03477	0.4
95.01402	0.3
97.02984	0.2
97.06634	0.2
98.03816	0.2
99.00880	0.2
101.02447	1.3
104.13458	0.2
107.01378	0.1
108.02213	0.5
109.02972	0.4
113.02455	0.6
116.92884	1.3
117.03468	0.3
119.05058	0.4
121.02991	0.5
122.03815	0.2
123.04541	0.5
124.01689	0.5
125.02478	1.5
133.03000	0.4
135.00928	0.2
135.04544	0.3
137.02466	0.6
143.03561	0.2
145.02959	1.2
147.04549	0.2
149.02466	0.2
149.04642	0.2
149.99644	0.4
150.03261	0.3
151.00394	0.9
151.04021	0.2
152.01183	0.3
153.01955	0.4
155.10843	0.4
157.93974	0.1
161.02449	1.4
161.04611	0.3
162.03238	0.6
163.04028	0.5
165.01953	0.3
165.05583	0.3
167.03499	0.7
168.00691	1.2
169.01135	0.2
173.04596	0.3
177.01988	0.1
177.05655	0.2
179.03467	0.2
179.05719	0.2
180.04286	0.2
181.12357	0.7
187.07707	0.3
191.03683	0.2
191.05602	0.2
195.06630	0.4
195.13860	0.1
196.98592	0.1
201.14998	0.2
205.05037	0.2
215.07162	0.3
223.08206	0.9
224.08696	0.2
225.11308	0.9
257.04541	0.2
271.06027	0.2
289.07138	0.2
350.19287	0.1
359.27951	0.2
361.29449	0.2
375.27444	1.1
376.27982	0.6
383.11548	0.3
384.11713	0.4
521.33380	1.7
522.33521	1.6
523.34839	0.9
539.15259	0.1
545.16876	0.2
546.17505	0.2
565.22571	0.8
582.22839	1.0
583.14618	0.5
583.24243	2.4
585.86554	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	581.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12682	0.1
59.01370	0.3
61.98828	100.0
62.98529	0.1
71.55952	0.2
78.95903	0.7
93.39477	0.1
98.05707	0.1
127.70144	0.1
152.99649	0.4
279.23248	1.5
280.23645	0.5
281.23938	0.4
282.24243	0.1
360.20712	0.1
362.50296	0.1
433.24213	0.1
504.30844	1.4
504.37686	0.1
505.31915	0.3
506.31750	0.2
507.32028	0.4
576.62042	0.1
581.32532	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
61.98829	100.0
71.50987	0.5
78.95924	0.6
96.96022	0.4
97.60364	0.3
111.93305	0.2
140.62767	0.2
152.99564	0.7
186.80469	0.3
279.23291	1.7
279.73035	0.2
280.23813	0.8
281.24023	0.4
306.99756	0.3
372.35764	0.3
380.33264	0.3
469.33038	0.4
483.31061	0.4
485.32156	0.3
504.30820	0.7
505.31833	0.3
521.26691	0.6
543.33618	1.1
544.33514	0.4
581.29462	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.6
57.03445	4.4
58.00583	1.4
59.01374	36.3
60.99292	3.5
61.98825	100.0
69.03439	3.5
71.01382	28.1
71.64669	1.4
72.99303	2.5
73.02945	10.4
75.00864	2.8
78.95905	0.9
81.03455	1.7
81.37664	0.7
83.01385	7.3
83.05032	0.9
85.02953	15.8
87.00878	5.9
88.98811	12.3
89.02459	7.3
89.99150	0.8
90.99247	2.2
93.03496	5.9
95.01389	2.8
96.96011	1.3
97.02950	3.6
99.00880	4.5
99.04516	1.4
101.02451	22.8
107.01392	2.6
108.02188	3.2
109.02986	4.2
111.00860	3.7
111.04482	0.9
113.02453	12.0
116.92855	1.6
117.03471	4.3
119.03501	2.3
119.05019	3.3
121.02967	7.8
123.00899	6.8
123.04524	3.8
124.00842	1.6
124.01680	19.2
125.02465	42.7
126.02805	1.9
129.01910	1.7
131.03516	1.2
131.21107	1.0
133.02957	1.5
134.03748	2.6
135.00908	1.3
135.04507	2.3
136.01709	1.5
137.02463	5.3
137.09715	1.9
141.02077	0.9
145.02963	11.1
146.03592	1.1
147.04512	1.8
149.02454	2.3
149.06094	1.4
149.99594	23.6
150.03221	2.4
151.00360	5.7
151.03989	2.7
152.01094	3.0
153.01949	11.7
153.05591	1.4
153.09267	1.0
155.10768	4.1
157.12373	1.3
159.02960	2.7
160.01636	2.5
161.02477	5.7
161.04497	4.4
161.09689	2.2
162.03253	4.3
163.04004	4.8
165.01938	2.8
165.05556	2.9
165.12794	1.3
166.02660	0.8
166.99826	1.0
167.03409	1.4
168.00648	52.5
169.01385	6.4
171.33589	0.8
173.04530	1.3
175.04016	3.3
177.01981	0.8
177.05560	2.8
178.99815	2.3
179.05603	1.2
179.10782	4.0
181.05060	2.6
183.13808	1.0
185.11845	0.9
189.01866	1.4
191.03491	0.9
191.05623	3.6
192.99670	1.3
193.01384	0.9
193.05052	1.3
195.06616	1.6
201.15012	2.9
203.10814	2.6
205.05081	1.0
211.06117	2.4
219.06784	1.1
221.11862	1.4
223.08211	16.1
225.11290	1.7
227.03584	0.9
227.07063	5.3
229.08594	0.9
230.15239	1.6
231.03011	0.9
255.03026	1.7
256.03476	0.9
271.02490	2.8
271.06076	1.7
272.02881	1.2
285.04013	2.7
297.11963	1.1
299.01978	0.9
300.02771	2.5
301.03305	3.1
302.03403	3.2
313.05670	1.6
329.13757	0.8
331.06534	0.9
339.10968	1.4
357.12015	2.1
357.26529	3.3
359.28000	11.5
360.28421	2.2
368.64655	0.8
369.15451	0.9
375.27478	33.2
376.27765	5.1
389.21710	1.6
414.06345	0.9
461.13223	2.9
489.10483	2.3
490.10529	1.2
491.11108	6.6
521.26489	3.5
521.33234	92.1
522.26416	1.2
522.33521	15.7
563.21399	1.0
581.22400	74.4
582.14459	1.3
582.22742	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	581.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61065	0.6
57.03442	2.5
59.01376	100.0
60.01718	1.1
61.98835	5.8
68.33527	0.6
69.03445	1.2
69.42496	2.6
69.42934	2.5
69.93499	0.7
71.01390	8.1
72.99320	1.8
73.02950	2.1
75.00874	15.6
82.54477	0.7
83.01414	1.0
85.02954	7.5
87.00877	5.0
89.02460	2.1
97.02942	1.0
99.00900	2.7
101.02449	2.0
107.55818	0.6
109.02977	1.0
111.00918	1.3
113.02437	1.3
116.92864	5.2
121.02930	1.0
129.01968	8.3
130.02298	0.7
132.02182	1.4
134.03781	2.8
137.02501	3.3
138.03275	0.8
141.01982	1.2
145.02950	2.0
147.04568	2.6
150.39363	0.6
151.00528	0.6
151.03995	3.8
152.04860	1.4
153.01935	0.8
153.05623	1.0
158.03758	0.7
159.03020	3.0
159.04350	0.7
160.01709	3.0
161.04611	1.3
162.03270	1.2
163.03990	4.9
163.11371	1.9
165.02014	1.2
166.02730	0.8
173.02419	0.7
174.03236	2.7
175.04018	15.9
176.04764	3.9
177.02003	3.5
177.04071	15.1
177.05550	1.8
178.02570	0.9
178.04318	1.6
179.10800	1.1
180.04321	6.7
181.04941	0.8
181.12343	8.2
182.12715	0.9
188.04767	3.1
189.05576	7.0
190.06367	18.7
191.07138	13.2
192.04301	2.7
192.07515	1.3
193.05040	11.5
194.05875	6.5
195.05077	12.4
196.05475	1.2
203.07146	2.1
205.08693	16.8
206.09096	1.1
207.06624	7.2
208.07396	13.9
209.07776	0.8
222.08989	2.7
223.06000	0.8
223.09668	1.4
225.11330	6.2
235.06107	2.9
269.08215	7.9
281.08090	0.9
283.09714	2.8
285.03403	1.1
299.09283	6.4
300.02777	1.1
311.09253	7.9
312.09650	1.0
314.11563	11.8
315.12057	0.7
325.10791	1.5
326.11533	6.9
327.11954	1.0
329.13922	45.7
330.14377	4.4
341.13937	24.9
342.14233	3.5
359.11093	1.1
374.13770	2.1
385.15079	2.6
389.16055	96.8
390.16455	12.7
403.16165	7.6
404.16400	1.4
419.17108	4.6
420.17841	0.9
505.19269	1.1
563.19440	7.0
563.86780	0.8
564.19543	1.0
581.20691	44.0
582.21179	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	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48810	0.3
56.80573	0.3
57.03439	0.4
59.01372	3.0
60.23006	0.3
61.98827	72.4
69.31255	3.5
70.62952	0.3
71.01376	3.0
73.02969	0.7
75.00877	1.7
85.02938	1.9
87.00880	0.8
89.02464	1.4
99.00872	0.5
101.02473	1.4
101.43505	0.4
109.02964	0.7
111.00986	0.4
113.02478	1.2
116.92866	0.4
119.03530	0.4
121.02969	0.8
123.00849	0.4
124.01696	1.6
125.02464	2.1
129.01942	0.9
131.03499	0.5
133.02983	0.5
134.03728	2.4
137.02451	1.8
138.03232	0.7
139.04036	2.6
145.02950	0.6
149.04578	0.6
149.06117	0.4
151.03946	0.4
152.04649	0.5
155.10861	0.6
160.01736	0.9
161.02437	3.0
161.04608	0.4
163.03989	0.5
165.01945	2.1
165.04146	0.4
165.05551	0.6
174.03188	0.7
175.02599	0.6
175.03961	2.3
177.04010	1.1
178.02690	1.2
180.04286	1.0
189.05583	0.8
191.03596	0.4
191.07162	0.4
193.05060	5.6
195.05141	0.5
195.06627	2.0
195.08121	0.3
204.04335	0.4
205.05074	1.1
206.05821	0.8
207.06627	0.8
219.06665	0.5
220.07474	0.7
221.08203	2.9
225.07605	1.9
235.06099	0.9
237.07727	0.5
250.08485	0.7
259.06027	0.4
281.04788	0.4
281.09036	0.4
285.03952	0.4
286.04764	0.6
298.04892	0.7
299.05530	0.7
301.07013	0.8
303.05234	0.7
311.05511	0.6
312.06436	0.9
313.07172	5.2
314.07675	1.2
315.08578	0.5
327.08804	3.9
328.09210	1.1
329.06577	2.3
329.10297	1.5
341.10559	0.9
343.08231	3.1
343.11829	0.8
344.08960	7.9
345.09335	0.7
358.10565	16.0
359.11301	27.2
360.11536	2.7
371.11548	0.9
372.11591	0.4
373.12897	32.6
374.13348	4.0
389.12421	13.4
389.16251	0.3
390.12479	2.0
401.14276	1.0
404.14755	15.5
405.15039	2.6
419.17093	100.0
420.17456	14.3
420.23199	0.6
447.14407	0.4
519.17255	2.6
521.25867	0.4
545.15314	0.9
548.48700	0.4
581.21313	3.6
582.21088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.42038	0.4
57.03448	5.3
58.00588	0.6
59.01377	15.7
60.09332	0.4
61.98827	3.1
68.99809	0.8
69.03461	3.0
69.76343	2.8
71.01385	14.9
72.01722	0.5
72.99316	2.9
73.02950	2.7
75.00878	35.5
82.26952	0.4
83.01397	1.1
84.02180	1.2
85.02956	11.4
87.00880	9.2
87.04511	0.7
89.01964	0.6
89.02457	5.1
95.01394	0.9
95.05022	1.6
97.02962	4.9
99.00896	5.2
101.02462	3.4
103.00397	0.7
105.13594	0.4
107.05012	0.5
109.06565	0.6
111.00896	2.9
111.85891	0.3
113.02435	1.7
113.96504	0.4
115.00341	0.5
115.04053	0.6
129.01950	16.0
130.02286	0.5
131.03499	0.4
132.02153	0.4
134.03717	1.1
137.02492	0.6
141.01949	3.7
149.04500	0.5
151.00346	0.4
155.10881	0.5
159.03011	6.0
160.01666	4.0
162.39700	0.4
163.11301	4.3
165.01915	1.0
175.04005	4.3
177.04060	38.9
177.12753	0.6
178.02841	0.4
178.04427	1.7
179.03520	0.5
180.04242	0.6
181.12350	10.1
182.12700	0.5
190.02695	0.9
191.05571	0.6
193.05037	1.0
195.05095	16.4
195.06483	0.7
195.13989	1.0
196.05508	0.5
205.04991	0.8
205.12332	0.5
207.10213	0.6
223.13400	1.3
225.11325	22.2
226.11746	1.9
245.03801	0.4
249.11263	1.5
255.03099	0.6
255.15970	1.4
267.12347	1.2
302.03296	0.5
325.11343	0.7
326.11893	0.5
329.14044	0.7
337.09363	2.0
367.14200	0.6
385.15063	6.0
389.21893	0.7
403.16071	6.5
404.16141	0.7
419.17419	0.7
445.17014	0.7
505.19220	2.2
521.26263	2.5
527.17712	1.3
533.16492	3.4
539.62897	0.4
563.19855	24.7
564.19922	3.3
581.20868	100.0
582.21234	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	581.1829
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
53.25770	0.7
59.01376	2.1
61.98830	4.1
62.96389	1.0
65.83762	0.7
71.01367	1.6
71.30135	1.2
71.30489	1.4
78.95905	100.0
96.96034	1.2
96.96974	5.9
99.92593	9.9
100.93368	1.0
115.92088	34.2
116.92110	2.3
116.92866	26.8
117.92864	1.1
124.26875	0.8
134.63121	0.7
138.98035	0.8
142.94429	1.5
149.52397	0.7
150.98059	5.0
152.99597	25.1
155.95189	1.9
163.89700	1.6
164.90466	2.6
171.00656	11.9
172.95453	7.0
178.88458	3.4
179.89227	34.7
180.90050	25.9
181.90985	3.7
182.64574	0.8
194.87904	2.2
195.00681	1.0
196.89491	56.3
197.89439	3.3
204.89923	1.4
205.90781	4.9
206.91589	4.0
208.89496	2.5
219.92268	2.1
221.90289	2.3
232.22832	0.9
234.91043	1.6
235.91788	10.8
236.92599	24.1
237.92766	2.0
245.04401	1.2
252.92104	3.3
253.92809	1.0
262.94272	0.8
270.93054	1.6
276.95743	2.7
278.93707	4.4
281.24689	1.2
292.95172	3.1
309.95456	1.4
310.96338	8.8
326.96259	1.2
451.31604	0.8
453.33716	3.4
473.14084	5.4
474.14478	1.2
481.25467	1.7
485.36166	2.0
486.36813	1.0
490.14090	5.2
507.32193	1.0
515.14948	0.9
533.16382	4.3
545.16132	6.1
546.16388	1.8
552.39429	0.7
563.17175	8.1
564.17474	1.8
581.18231	79.1
582.18463	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	581.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48937	0.6
55.01884	1.1
55.13390	0.6
57.03445	6.3
59.01378	25.6
61.98829	10.8
62.01403	0.5
67.01912	0.6
68.15177	0.5
68.99829	1.2
69.03465	4.3
69.91721	0.5
71.01382	17.8
72.99301	5.7
73.02947	3.6
75.00874	34.9
83.01401	2.9
84.02191	1.1
85.02956	17.1
87.00880	10.4
87.04527	0.8
89.02453	5.9
93.03442	0.7
95.05022	1.6
97.02961	5.0
99.00884	6.7
101.02449	3.9
105.36577	0.6
111.00909	2.6
113.02460	2.1
115.04045	1.5
116.92868	8.3
117.92909	0.6
123.04491	0.7
124.01685	0.9
125.02482	1.9
129.01950	18.2
130.02286	1.1
131.03441	0.7
134.03749	1.3
137.09766	0.8
139.11308	1.0
141.01996	3.8
147.04614	0.6
149.99612	1.4
151.00420	1.0
155.10812	2.2
159.02997	8.1
160.01651	1.1
161.02466	0.8
161.09734	0.9
163.11307	3.7
165.05450	0.6
168.00700	1.2
175.02657	0.8
175.04079	2.2
177.04059	32.5
178.04437	2.0
181.12366	14.0
182.12691	0.9
183.10310	1.2
190.06395	0.9
191.07135	1.5
193.05067	2.1
195.05109	29.4
196.05426	0.8
205.08806	1.0
207.10326	0.9
214.16872	0.6
223.13469	1.0
225.11311	25.1
226.11725	2.3
227.03493	1.4
228.04033	0.6
229.03987	0.6
230.01758	0.8
230.03745	0.8
235.06139	1.4
243.12500	0.7
249.11255	0.7
255.03070	2.5
256.03348	1.6
257.03708	1.7
267.12442	1.3
284.03033	2.6
285.03604	4.0
286.04028	3.8
287.04556	2.9
288.04919	1.7
289.05054	0.7
311.09247	1.2
314.11713	0.9
326.11804	0.8
329.13956	4.3
341.13965	2.9
385.15024	8.9
386.15482	1.3
389.11252	1.2
389.15921	6.6
390.16229	1.3
403.16092	21.3
404.16629	2.0
433.10187	1.5
434.10495	1.6
435.11035	2.3
449.16425	0.7
461.67276	0.6
469.23862	0.6
505.19333	1.5
521.26050	0.8
527.17078	0.8
545.18982	0.8
563.19781	18.2
564.19885	3.2
581.21008	100.0
582.21320	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
57.03431	1.4
58.00580	0.8
59.01377	7.8
61.98829	9.9
69.03447	0.6
69.71502	2.4
69.71909	1.0
71.01381	5.6
72.99329	0.7
73.02942	2.5
75.00876	0.6
83.01425	0.8
83.05016	1.0
85.02966	3.1
87.00880	1.1
87.04521	8.6
88.98824	1.5
89.02448	2.3
89.54040	0.5
91.01927	0.8
93.03441	1.2
97.02951	1.6
97.06627	0.8
99.04525	0.7
101.02454	3.2
107.22265	0.5
108.02192	1.0
109.02966	0.5
111.04505	0.6
111.08164	1.0
113.02458	1.7
113.09447	0.5
116.92891	1.0
119.05036	0.8
121.02993	1.3
121.06624	0.7
125.02468	1.4
125.06161	0.8
135.04564	0.9
135.08159	0.8
137.02425	1.0
137.09731	6.0
139.07707	1.6
139.11282	0.7
141.09241	0.5
145.03009	0.5
146.99086	1.1
149.00687	100.0
149.09608	0.6
150.01004	5.2
151.00485	0.5
151.11365	0.8
152.01189	0.4
153.02022	0.8
155.10802	27.7
156.11121	1.1
160.29005	0.5
161.02495	0.6
163.04019	0.6
163.07637	0.6
163.11282	0.6
165.05574	0.8
165.09311	0.4
167.10712	0.5
169.12337	1.3
177.09247	0.7
178.99811	0.6
179.05832	0.5
179.10753	2.5
179.23578	0.5
181.08723	3.1
191.10794	2.4
192.99666	59.0
193.12320	0.7
193.99979	3.5
195.10315	1.4
197.00938	0.6
199.09775	21.2
200.10135	0.8
213.11375	1.0
223.09746	0.7
225.11327	0.8
227.03596	0.5
228.04103	0.6
236.98531	1.1
237.11421	0.6
241.10803	6.6
253.10812	1.8
255.03044	1.1
255.12395	1.7
283.11865	11.7
284.03265	1.0
284.12250	1.0
285.04044	1.4
298.01059	0.5
343.14050	4.1
493.15787	0.9
521.25934	1.4
521.33398	0.7
534.18781	0.5
537.14313	42.7
538.14667	7.1
563.10876	0.5
581.13110	6.6
581.21582	0.7
582.13269	1.0
606.06458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33293	0.4
59.01378	21.2
61.98826	7.5
70.72820	0.4
71.01372	0.5
71.58562	0.7
78.95905	25.5
80.96510	1.7
82.29360	0.4
82.96100	0.4
92.33434	0.4
95.49267	0.4
96.96024	0.7
96.96945	0.5
99.92567	0.5
100.42721	0.4
106.70310	0.4
110.49722	0.4
115.92065	2.5
116.92850	1.8
137.69861	0.5
152.99638	5.1
168.04341	3.2
171.00598	0.7
178.77136	0.4
179.89223	1.9
180.89984	1.8
183.22417	0.4
196.89510	2.7
196.91000	0.4
224.06935	7.7
225.07307	0.5
235.91837	0.7
236.92616	1.4
242.07956	1.9
257.10568	0.4
281.24838	100.0
282.25168	10.7
439.96573	0.5
506.32489	71.9
507.32806	13.7
580.28937	2.7
581.18414	5.9
581.28088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62030	0.4
59.01376	16.0
61.16947	0.4
61.98829	10.6
63.99252	0.5
71.65227	0.5
71.66938	0.4
72.12013	0.4
78.95908	8.3
80.96529	1.0
96.96942	0.5
99.92570	0.7
115.69173	0.4
115.92076	1.4
116.92928	0.9
152.99680	2.2
168.04277	1.2
171.00676	0.6
179.89230	1.3
180.90038	1.0
195.31601	0.4
196.64948	0.5
196.89499	1.8
207.46140	0.5
224.06953	0.8
236.92606	1.0
242.07982	2.5
281.24850	100.0
282.25226	9.9
485.33298	0.7
506.32495	37.8
507.32834	6.9
580.28638	0.9
581.18329	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	580.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01375	3.5
61.98829	100.0
69.87737	1.1
71.01389	0.5
73.02943	0.3
78.95921	0.4
81.79194	0.2
85.02946	0.3
87.04539	0.5
88.98841	0.5
98.20631	0.3
101.02490	0.3
109.03000	0.3
113.02481	0.3
121.02979	3.1
125.02535	0.3
145.02986	0.3
185.90494	0.3
209.11642	0.3
301.17957	0.4
302.18399	0.5
348.19366	0.2
362.20673	0.5
458.33875	0.3
472.31580	0.7
476.34537	0.5
517.32080	0.3
519.33264	0.9
520.33539	12.3
521.34119	2.2
570.63879	0.3
580.35760	5.1
581.27142	0.3
581.35742	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35624	0.2
58.27581	0.2
59.01376	3.4
61.28258	0.2
61.91788	0.3
61.98830	100.0
62.98524	0.3
63.99201	0.2
71.01404	0.7
75.00878	4.1
78.95927	0.5
87.00941	0.3
96.96072	0.3
98.19815	0.5
189.98926	0.2
218.74553	0.3
291.19733	0.7
301.18350	0.3
302.18210	0.4
362.20593	0.3
441.30289	0.5
485.32761	0.3
517.31848	0.8
520.33813	0.3
545.34924	0.4
580.35913	2.5
581.27759	0.4
593.04755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.2
59.01371	1.7
60.01670	0.2
61.98826	100.0
62.98526	0.3
63.99266	0.2
69.35288	1.4
71.01396	0.4
72.99293	0.2
78.95905	0.3
83.05034	0.1
86.45036	0.1
87.04505	0.2
88.98829	0.2
96.96036	0.3
97.83679	0.1
101.02467	0.3
107.01419	0.1
119.05033	0.2
121.02992	0.2
125.02477	0.3
126.45516	0.2
137.02437	0.2
137.52617	0.2
197.11682	0.2
225.64069	0.2
233.35132	0.2
270.36234	0.1
271.06100	0.3
287.05823	0.2
520.32904	0.3
521.31097	0.2
544.21600	0.2
580.27344	0.2
581.27020	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
57.54251	0.1
59.01379	0.8
60.99316	0.2
61.98831	100.0
62.98531	0.2
69.55622	0.1
69.67838	0.5
69.68262	0.4
71.01391	0.6
73.02963	0.4
75.00871	0.2
78.95911	0.9
85.02972	0.3
86.95320	0.1
88.98820	0.5
89.02463	0.5
93.03491	0.2
96.96032	1.0
96.96970	1.8
98.02495	0.3
99.92589	1.6
101.02451	0.3
109.03001	0.2
113.02477	0.2
114.93436	0.4
116.92876	22.9
117.01948	0.3
119.05206	0.1
123.04540	0.2
125.02457	0.8
126.02818	0.3
127.02898	0.1
133.03056	0.2
134.03775	0.2
135.71832	0.1
137.02477	0.6
151.04002	0.2
160.01692	0.2
161.02478	0.7
162.03087	0.2
175.04004	0.4
176.04359	0.2
177.05568	0.4
178.05986	0.3
179.05688	0.2
193.05116	0.3
194.05426	0.2
195.05354	0.1
204.90231	0.1
214.07033	0.1
231.65292	0.1
289.07156	0.1
290.07483	0.4
291.07724	0.2
292.08054	0.2
306.66937	0.1
357.11099	0.2
358.11649	0.2
408.08282	0.2
409.08127	0.3
410.08594	0.3
463.14706	0.4
545.14899	0.2
581.18719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.1
61.98825	1.7
65.88179	0.4
68.48836	0.5
69.45319	2.6
69.45744	1.4
70.22976	0.4
71.01376	1.6
81.03474	0.5
85.02946	1.2
93.03456	1.0
101.02464	0.9
109.02948	2.2
113.02452	0.7
118.44724	0.4
121.06657	0.4
123.00906	2.1
125.02486	0.6
132.31178	0.4
135.04465	0.6
137.02452	7.6
138.02998	0.5
139.00372	0.7
145.02948	0.8
146.03346	0.5
149.02434	1.1
149.06061	0.5
151.00377	14.9
151.04007	1.7
152.01028	1.1
152.04758	2.5
163.04025	0.7
165.01913	0.6
166.02721	53.0
167.03259	3.0
175.04001	1.4
175.07719	0.5
177.01942	3.0
177.04076	0.5
178.02750	0.7
181.05069	72.0
182.05362	3.1
184.03798	0.9
189.05455	0.5
190.06335	1.3
191.03476	0.9
192.04300	1.1
193.05008	0.9
195.03156	0.6
205.05051	1.0
205.08702	0.8
207.06618	1.6
219.06612	0.5
235.05908	0.6
271.02435	0.7
359.11383	1.4
387.10828	14.7
388.11105	1.7
402.13110	7.7
403.13501	0.6
417.15515	100.0
418.15823	15.7
418.21436	1.0
448.88031	0.6
454.60815	0.5
579.13049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35816	0.1
52.97129	0.1
59.01379	0.5
61.98827	100.0
62.98524	0.2
64.72530	0.1
65.12069	0.1
66.30620	0.1
71.20350	0.2
71.20739	0.1
78.95906	0.6
82.41252	0.1
152.99590	0.4
184.26175	0.1
208.76305	0.1
277.21680	1.7
278.22021	0.9
278.24313	0.1
279.22269	0.7
280.22687	0.3
352.15115	0.1
397.41006	0.1
485.32892	0.3
502.29153	0.8
503.30142	0.3
504.29700	0.1
505.30313	0.5
579.30707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38252	0.1
59.01377	0.5
61.98829	100.0
62.50612	0.1
62.98525	0.1
69.99059	0.3
69.99481	0.2
78.95904	0.6
87.05222	0.1
98.19836	0.1
108.12415	0.1
152.99605	0.3
224.06894	0.2
237.39761	0.1
277.21735	1.5
278.22046	0.8
279.22412	0.4
280.22638	0.2
338.03659	0.1
411.55359	0.1
485.33240	0.2
497.28970	0.3
498.29608	0.1
502.29282	1.3
503.29977	0.3
504.29935	0.2
505.30420	0.8
579.29858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
58.00514	0.8
59.01374	34.3
61.98829	100.0
62.98526	1.0
63.18327	0.9
64.26128	0.8
70.92538	2.4
71.01358	1.8
72.99305	1.2
73.02954	5.0
73.96285	0.9
75.00874	25.1
78.95909	3.2
83.05003	1.2
87.04519	1.4
88.98810	1.6
89.29765	0.9
93.03477	1.8
96.96014	1.1
99.08487	1.0
101.02432	1.9
103.18539	0.9
124.00169	1.0
131.38876	1.0
151.00349	1.7
165.27255	0.8
173.04706	1.0
177.04016	0.9
207.14481	0.8
229.68866	0.8
235.13611	1.0
271.06168	1.9
299.02136	1.0
301.18399	1.0
317.21198	1.2
329.21100	1.4
361.20111	1.0
389.23544	1.3
408.21658	2.8
427.28595	2.3
443.28070	0.9
471.31128	4.4
472.31699	1.1
473.28708	1.3
475.33911	1.1
487.30569	2.6
501.31866	1.5
503.33737	2.6
519.33221	62.0
520.33484	14.0
531.32611	1.2
579.35382	63.6
580.35956	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
59.01377	100.0
60.01717	1.1
60.68389	0.2
61.98830	10.3
71.01382	1.7
71.56577	0.1
71.57053	0.2
72.04528	0.2
72.99313	0.3
73.02962	0.5
74.02476	0.2
75.00886	0.7
77.27566	0.2
83.01398	0.4
85.02962	0.9
87.04538	0.2
88.98826	0.7
89.02457	1.0
93.03458	0.8
94.54955	0.1
96.96032	1.1
97.02960	0.2
99.00911	0.3
101.02439	1.0
107.01404	0.2
107.05087	0.2
108.02219	0.4
109.02990	0.8
113.02454	0.8
114.77371	0.2
117.03459	0.3
119.03580	0.3
119.05046	1.2
121.02996	0.5
122.03718	0.2
123.04559	0.5
124.01612	0.2
125.02494	0.7
129.01958	0.3
130.05144	0.2
133.02980	1.9
134.03772	0.5
135.00908	0.2
135.04535	1.5
137.02467	0.8
145.02966	1.3
149.06154	0.4
151.00360	0.8
151.04065	0.5
152.01115	0.3
153.01923	0.3
155.10847	0.7
160.01724	0.6
161.02464	6.8
161.04593	0.3
163.04050	0.8
165.01842	0.2
168.00679	0.2
175.04024	0.9
177.01929	0.4
177.04108	0.4
177.05600	0.3
179.03523	1.2
179.05696	0.2
180.06706	0.2
181.12840	0.2
185.11833	0.2
189.02069	0.3
191.05597	0.3
193.01491	0.2
193.05013	0.4
203.03421	0.2
227.03566	0.3
235.06168	0.4
236.09337	0.4
265.07285	0.2
269.04370	0.2
271.06198	0.8
301.03473	0.4
323.07690	0.3
341.06564	0.4
353.84601	0.2
417.24875	0.5
425.36353	0.2
428.56815	0.2
457.29462	0.3
487.30493	1.0
499.30969	0.8
517.13434	3.2
519.33191	5.0
520.33392	0.9
547.15851	0.2
561.16187	0.3
563.32410	0.2
579.20258	0.5
579.36096	3.0
580.23651	0.9
580.35938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03440	7.2
58.00593	1.0
59.01381	23.2
61.98830	35.8
65.00352	0.8
68.99855	0.8
69.03446	3.3
69.56341	2.1
69.56767	3.4
71.01385	24.8
72.01726	1.0
72.99310	4.6
73.02955	4.3
75.00880	36.4
80.25493	0.6
81.03509	0.9
83.01402	3.1
84.02199	1.6
85.02959	18.0
85.03424	1.0
87.00883	12.9
87.01354	1.0
88.98824	1.0
89.02449	8.8
89.02920	0.8
90.54364	0.6
90.98657	2.3
93.03503	2.6
95.01431	1.1
97.02958	4.8
98.20603	0.9
98.72845	0.6
99.00883	9.0
99.04547	0.8
101.02463	7.2
105.01960	1.1
107.01472	1.1
109.03004	1.0
111.00906	3.4
113.02454	4.7
115.04054	0.9
115.92127	0.7
116.92905	2.5
117.02010	0.9
119.03540	1.6
119.05025	0.7
121.03042	0.8
121.10237	0.7
125.02489	1.7
129.01956	21.3
131.03528	1.1
135.04582	1.1
135.11830	4.2
137.02472	4.1
137.09827	0.8
141.02011	3.3
145.03009	1.2
148.16199	0.7
149.04608	1.5
151.00386	3.2
151.04013	0.7
153.02048	0.7
155.10753	5.4
159.03023	7.1
159.11816	0.8
161.04611	1.6
161.09746	5.1
163.00511	0.9
163.04063	0.7
163.06146	1.4
165.05586	0.9
175.03946	0.7
175.11195	0.7
177.04066	46.5
177.12903	1.8
178.04503	2.4
178.99953	2.2
179.03572	1.0
179.05658	1.3
179.10797	16.1
179.12347	0.8
180.11255	0.8
181.07263	1.5
183.10477	0.7
191.05731	1.5
193.12434	1.4
195.05113	15.8
199.09782	1.5
203.10866	2.9
205.08974	0.8
209.06688	1.4
211.04228	0.9
223.09904	2.4
227.03487	8.8
227.05299	0.7
228.04137	0.9
229.05051	0.9
239.05779	0.8
243.03154	2.2
249.06154	0.9
255.02966	18.7
256.03613	2.9
257.04810	0.8
259.00879	0.6
267.78210	0.7
271.02493	10.1
271.05542	1.1
272.02997	1.2
284.03262	21.2
285.03970	8.3
286.04523	1.5
297.13550	1.0
299.02240	1.6
300.02765	21.9
301.03552	3.0
301.10965	1.3
340.71722	0.8
383.13620	3.0
387.20441	1.0
401.14529	8.2
402.15012	0.8
433.07916	1.6
449.16492	1.1
503.17548	3.4
525.16211	3.5
533.26501	1.4
561.18243	27.1
562.18713	4.5
579.20020	100.0
580.20337	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	579.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03440	7.2
58.00593	1.0
59.01381	23.2
61.98830	35.8
65.00352	0.8
68.99855	0.8
69.03446	3.3
69.56341	2.1
69.56767	3.4
71.01385	24.8
72.01726	1.0
72.99310	4.6
73.02955	4.3
75.00880	36.4
80.25493	0.6
81.03509	0.9
83.01402	3.1
84.02199	1.6
85.02959	18.0
85.03424	1.0
87.00883	12.9
87.01354	1.0
88.98824	1.0
89.02449	8.8
89.02920	0.8
90.54364	0.6
90.98657	2.3
93.03503	2.6
95.01431	1.1
97.02958	4.8
98.20603	0.9
98.72845	0.6
99.00883	9.0
99.04547	0.8
101.02463	7.2
105.01960	1.1
107.01472	1.1
109.03004	1.0
111.00906	3.4
113.02454	4.7
115.04054	0.9
115.92127	0.7
116.92905	2.5
117.02010	0.9
119.03540	1.6
119.05025	0.7
121.03042	0.8
121.10237	0.7
125.02489	1.7
129.01956	21.3
131.03528	1.1
135.04582	1.1
135.11830	4.2
137.02472	4.1
137.09827	0.8
141.02011	3.3
145.03009	1.2
148.16199	0.7
149.04608	1.5
151.00386	3.2
151.04013	0.7
153.02048	0.7
155.10753	5.4
159.03023	7.1
159.11816	0.8
161.04611	1.6
161.09746	5.1
163.00511	0.9
163.04063	0.7
163.06146	1.4
165.05586	0.9
175.03946	0.7
175.11195	0.7
177.04066	46.5
177.12903	1.8
178.04503	2.4
178.99953	2.2
179.03572	1.0
179.05658	1.3
179.10797	16.1
179.12347	0.8
180.11255	0.8
181.07263	1.5
183.10477	0.7
191.05731	1.5
193.12434	1.4
195.05113	15.8
199.09782	1.5
203.10866	2.9
205.08974	0.8
209.06688	1.4
211.04228	0.9
223.09904	2.4
227.03487	8.8
227.05299	0.7
228.04137	0.9
229.05051	0.9
239.05779	0.8
243.03154	2.2
249.06154	0.9
255.02966	18.7
256.03613	2.9
257.04810	0.8
259.00879	0.6
267.78210	0.7
271.02493	10.1
271.05542	1.1
272.02997	1.2
284.03262	21.2
285.03970	8.3
286.04523	1.5
297.13550	1.0
299.02240	1.6
300.02765	21.9
301.03552	3.0
301.10965	1.3
340.71722	0.8
383.13620	3.0
387.20441	1.0
401.14529	8.2
402.15012	0.8
433.07916	1.6
449.16492	1.1
503.17548	3.4
525.16211	3.5
533.26501	1.4
561.18243	27.1
562.18713	4.5
579.20020	100.0
580.20337	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	579.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.02409	1.3
58.79950	1.4
59.01375	2.3
61.98802	2.3
69.77229	5.4
71.01371	4.9
78.95896	5.4
83.01391	1.8
85.02965	3.2
88.98788	1.8
89.02458	1.8
93.03445	4.8
96.96002	3.8
96.96958	6.7
98.20676	1.6
99.84600	1.4
101.02491	2.6
102.20104	1.5
108.02180	64.3
109.02991	19.7
121.02934	1.4
123.00861	1.4
123.04546	2.0
125.02443	7.8
126.02761	3.6
137.02460	8.3
138.02827	1.5
151.03989	3.7
152.01157	47.0
153.01987	20.3
161.02464	1.5
163.03951	2.1
165.01926	2.8
192.46010	1.3
196.54324	1.4
279.10843	2.8
289.07227	2.6
290.07373	2.6
291.07574	2.2
292.93027	1.3
315.07193	100.0
316.07562	10.1
318.06021	1.3
323.02966	1.3
367.48087	1.4
408.07938	1.4
409.08185	4.7
579.14484	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	579.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03451	7.9
58.00603	1.0
59.01377	24.8
61.98831	33.3
62.73455	1.1
68.99821	1.1
69.03446	3.1
69.34378	8.0
69.56818	0.8
70.65830	0.9
71.01385	33.1
72.99314	8.3
73.02964	4.5
75.00877	42.9
79.05535	0.8
83.01405	2.7
83.05000	1.2
83.09305	1.0
85.02958	20.1
87.00888	14.5
87.04509	2.1
89.02454	10.3
93.03471	2.6
95.01382	1.0
96.96024	1.7
97.02959	4.6
98.19907	1.3
99.00896	9.9
100.98740	1.1
101.02455	7.7
105.01977	0.9
107.01399	1.0
108.02219	1.3
109.02959	2.5
111.00909	2.8
113.02459	4.0
115.92072	1.8
116.92857	1.3
117.03524	1.2
118.43420	1.0
118.99877	1.1
119.03526	2.7
119.05014	1.4
121.02975	1.3
122.76198	0.9
123.04478	1.0
125.02441	3.2
129.01955	24.2
131.03505	2.3
135.00867	1.4
135.11824	3.4
137.02458	3.8
141.01988	2.5
145.02985	1.0
149.04543	2.0
151.00380	3.3
151.03947	1.0
152.01164	1.3
155.10754	2.1
159.02983	7.0
159.08157	1.2
159.11749	1.0
161.02484	2.9
161.04559	1.0
161.09747	7.3
165.01871	1.1
165.04114	1.2
165.05629	1.3
166.02696	3.2
171.40691	0.9
177.04068	47.4
179.03511	1.1
179.05708	1.0
179.10779	12.1
179.14261	0.9
179.59203	0.9
181.01530	0.8
181.05089	3.3
181.07143	1.9
181.12373	1.3
191.05602	1.9
195.05113	21.9
195.06781	1.7
203.10805	1.5
205.08842	1.4
211.04076	1.6
223.09715	2.2
225.11353	2.5
227.03502	20.1
228.03880	1.4
229.05135	2.5
243.02972	1.2
255.02969	44.9
256.03351	6.5
257.04163	1.5
271.02441	2.5
281.06839	1.2
283.02417	4.0
284.03235	59.0
285.03882	22.3
286.04413	4.7
287.04608	3.3
300.02692	3.5
301.03571	1.7
303.04980	1.0
325.10532	1.1
325.60724	1.5
355.14020	1.2
373.15125	1.6
383.08432	1.0
383.13455	4.0
399.07077	1.8
401.14499	6.6
417.15707	5.1
429.78757	1.0
432.09869	1.5
433.10458	3.4
503.17938	2.0
525.15405	1.0
535.20886	1.9
561.18317	21.5
562.18542	3.7
579.12170	19.9
579.20435	100.0
580.12726	5.2
580.21008	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	579.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01376	7.4
60.01720	0.4
61.98827	35.4
63.02402	1.0
65.00321	12.6
68.22102	0.3
71.01387	2.2
71.05066	0.4
71.60768	0.4
71.61211	0.6
71.62206	0.3
72.99323	0.3
73.02950	1.3
75.00871	0.6
76.05077	0.3
77.67250	0.4
78.95919	1.3
79.01891	0.5
81.03472	0.4
83.01392	6.0
83.05051	0.5
85.02952	0.8
87.00887	0.6
88.98807	1.8
89.02460	1.2
91.01877	0.6
93.03466	1.3
97.02967	0.8
99.00813	0.4
101.02455	1.7
107.01398	20.0
108.99382	0.4
109.02971	2.9
113.02487	0.5
117.03464	1.0
119.03544	0.4
119.05029	0.8
119.77675	0.4
121.02942	1.4
124.01701	0.4
125.02466	4.9
125.98470	0.5
131.01421	1.2
131.43428	0.3
133.02971	0.4
134.03752	1.2
135.04535	68.9
136.04860	2.8
137.02467	1.4
145.02972	1.9
147.04546	0.5
149.02428	0.6
151.00383	95.7
152.00737	4.6
154.70969	0.4
159.04541	0.4
161.02464	1.6
163.04007	0.6
165.01933	1.3
169.01425	2.9
175.00381	6.0
177.01968	1.5
178.99930	0.8
179.55769	0.3
188.95822	0.4
193.01407	1.5
205.01437	0.7
251.65939	0.4
269.04407	0.7
271.06033	1.3
287.05591	100.0
288.05954	10.3
311.05756	0.5
329.06702	0.7
387.68347	0.4
406.82956	0.4
417.23074	0.5
443.09702	1.5
493.06876	0.4
494.21274	0.4
518.32135	0.7
519.21436	0.7
519.34167	2.7
578.34119	1.4
579.15167	3.5
579.24365	0.6
579.26031	0.5
579.35944	4.9
580.14862	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01368	0.7
61.98829	3.4
63.02401	2.4
65.00323	9.4
66.00645	0.3
68.99828	0.3
69.03436	0.2
71.01389	0.6
73.02943	0.1
78.95918	0.1
79.01914	0.1
80.08910	0.1
81.03466	0.2
83.01390	5.6
84.01720	0.2
85.02957	0.3
87.40297	0.1
89.02435	0.1
90.21281	0.1
91.01903	0.3
93.03466	6.7
94.03802	0.2
95.01386	0.2
96.27266	0.1
97.02956	0.4
98.20654	0.2
101.02473	0.3
107.01399	15.0
108.01714	0.4
108.99334	0.3
109.02969	0.3
113.02449	0.3
117.03482	3.4
117.32210	0.1
118.03780	0.2
119.05040	36.2
120.05379	1.9
121.02946	0.8
123.04549	0.1
125.02461	5.0
126.02795	0.2
131.01378	1.1
132.01712	0.1
133.02951	0.6
133.06610	0.4
135.00920	0.2
135.04527	0.1
136.01695	0.2
137.02455	0.5
143.05031	0.9
145.02971	15.4
146.03314	1.1
149.02449	0.5
151.00385	54.4
152.00717	2.2
157.06621	0.2
159.04506	0.3
160.01707	0.2
161.02461	0.5
161.06105	2.3
163.04031	1.7
164.01186	0.4
165.01953	2.8
167.03590	0.2
169.01445	1.4
173.06105	0.1
175.00374	3.7
175.03894	0.2
176.00748	0.3
177.01945	5.9
178.02306	0.4
179.03471	0.3
185.06081	1.9
187.03995	2.5
188.04553	0.2
189.01941	0.5
189.05664	0.2
192.31711	0.1
193.01427	1.3
199.07642	0.4
201.05655	0.1
203.07213	0.3
205.01523	0.1
205.05049	1.1
217.01498	0.2
219.02890	0.1
225.05676	0.2
227.07112	2.5
227.09241	0.2
228.07504	0.3
229.05057	0.6
247.06096	0.1
265.07129	1.9
266.07361	0.2
270.04852	0.1
271.06091	100.0
272.06424	9.3
285.07632	0.2
295.06152	3.3
295.09464	0.2
296.06552	0.4
300.02826	0.2
301.03537	0.3
301.10889	0.1
307.08224	13.1
308.08585	1.3
309.97238	0.1
313.07211	1.7
314.07556	0.2
337.07059	0.2
347.39752	0.1
348.08902	0.1
357.26208	0.6
433.11292	0.5
459.09265	0.7
487.61908	0.1
519.33221	0.2
579.15118	6.8
579.27881	1.0
580.15381	1.5
580.28107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09290	0.2
56.45251	0.2
57.03423	0.4
59.01360	0.5
61.98821	1.6
62.34735	0.3
63.02393	1.9
65.00319	8.7
83.01387	4.6
86.59367	0.2
93.03459	6.2
97.02922	0.5
103.01897	0.3
107.01395	12.6
108.02218	0.3
109.02948	0.4
109.97835	0.3
117.03470	3.4
119.05034	32.2
120.05354	1.6
121.02930	0.9
125.02457	4.4
131.01408	0.8
133.02933	0.3
133.06618	0.7
137.02438	0.6
143.05034	0.8
145.02962	13.6
146.03304	0.6
149.02461	0.7
151.00372	53.5
152.00717	2.1
157.06558	0.4
161.06049	1.9
163.00381	0.5
163.04025	2.0
164.01105	0.5
165.01944	3.1
169.01439	1.4
175.00337	3.8
177.01929	5.2
178.02219	0.5
178.99840	1.1
181.01254	0.3
183.08147	0.3
185.06053	1.9
187.03998	2.3
189.01967	0.6
193.01414	1.7
205.05070	1.0
227.03482	0.3
227.07088	2.2
229.05034	0.9
246.25879	0.3
255.03030	0.8
265.07153	1.2
271.06076	100.0
272.06418	10.0
285.04050	1.5
285.07251	0.3
295.06155	3.0
296.06384	0.4
299.01831	0.4
300.02753	3.3
301.03516	9.5
302.03690	0.5
307.08221	13.6
308.08661	1.2
313.07220	1.6
314.07523	0.3
337.07315	0.4
377.10461	0.2
433.11465	0.5
459.09137	0.8
481.31085	0.3
579.15277	10.1
579.28693	0.6
580.15649	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	579.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58252	0.6
57.03283	0.8
57.03535	1.4
59.01153	2.0
59.01484	7.8
61.98581	4.4
61.98940	19.2
69.03551	0.9
69.50817	4.5
71.01081	1.1
71.01503	6.2
72.99400	0.7
73.03034	1.3
75.00528	1.7
75.01006	8.4
78.95979	0.9
83.01463	1.0
85.03097	5.6
87.01015	2.2
89.02592	2.9
93.03049	1.1
93.03605	2.4
95.01503	0.9
96.96150	1.5
97.03049	0.9
98.19895	1.3
99.01047	2.5
101.02594	3.2
105.84706	0.6
107.01563	1.7
108.02287	1.5
109.03091	1.2
111.01030	1.3
113.02478	3.1
115.00444	0.7
116.92992	0.9
119.03610	0.8
121.03111	1.6
124.01808	1.0
125.02617	1.6
129.01952	4.7
135.01039	1.0
136.01799	0.9
137.02467	4.0
137.09813	0.9
141.02019	0.9
148.01851	1.7
149.02611	0.8
151.00389	8.2
151.04166	2.7
152.01285	0.8
153.02090	0.7
155.10811	4.2
159.03174	1.7
159.04672	0.5
161.02454	0.7
161.04674	1.2
161.09889	1.9
163.00447	0.9
163.04132	1.0
165.02065	0.9
166.02731	9.9
167.03484	0.6
175.07744	0.5
177.02502	0.9
177.04031	7.6
178.99890	4.3
179.05774	1.5
179.10744	3.2
181.05046	11.1
181.08791	1.1
187.04178	0.8
193.05118	0.7
195.05132	3.6
199.04208	0.8
199.09915	1.3
201.02010	0.8
211.04172	0.7
216.04529	0.6
223.09837	0.9
226.02768	1.5
227.03513	3.8
229.05075	1.8
236.07971	0.7
243.02991	10.4
244.03493	0.8
254.02197	1.8
255.02965	26.0
256.03345	2.4
257.04684	0.7
271.02451	53.4
272.02866	6.4
284.03418	0.8
285.04013	14.4
285.97244	0.6
286.04532	1.8
299.01950	2.1
300.02753	100.0
301.03217	14.4
309.67148	0.6
327.13461	0.6
357.13254	2.0
383.13266	1.3
387.10675	2.6
387.15781	0.8
401.14325	2.0
402.13052	1.7
417.15530	16.5
418.15454	2.0
427.11972	1.0
447.08850	0.8
449.16214	0.9
561.18335	3.6
579.12775	72.4
580.05078	0.7
580.13196	13.7
580.21057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03443	3.8
59.01379	11.4
61.98828	4.0
63.85774	0.3
65.00311	0.8
67.01849	0.6
69.03438	1.0
71.00999	0.7
71.01382	11.1
71.59348	0.7
72.99310	2.9
73.02944	2.0
75.00874	15.0
81.03493	0.4
83.01381	2.9
84.02168	0.9
85.02950	13.6
86.03300	0.5
87.00877	4.5
89.02452	4.1
93.03468	0.9
95.01379	0.7
97.02953	1.6
99.00888	3.8
99.04559	0.3
101.02447	3.3
102.34672	0.4
103.00328	0.4
107.01385	1.5
109.02972	2.6
111.00892	1.9
113.02457	2.9
114.02820	0.4
115.00414	0.5
115.03979	0.5
119.01381	0.4
119.03498	0.8
121.02934	0.8
123.04554	0.6
123.08118	0.4
125.02469	2.5
126.02802	0.8
129.01955	8.9
131.03520	0.6
133.02933	0.8
135.00806	0.6
135.11823	2.2
137.02428	2.0
137.09749	0.4
139.64304	0.3
141.01930	1.2
147.03027	1.1
149.02455	0.9
149.04573	0.6
150.03189	0.7
151.00381	7.5
151.03955	0.8
152.00784	0.5
153.02042	0.4
159.02979	3.3
159.04497	1.3
159.08183	0.4
161.02464	1.3
161.04692	0.7
161.06020	0.7
161.09685	2.0
163.00392	1.9
165.01933	1.4
165.05562	0.8
166.02736	0.6
167.10663	0.4
171.04579	0.7
173.06049	0.6
175.02531	0.6
175.04008	1.5
175.35927	0.4
177.04062	17.3
178.04448	0.7
178.99858	1.4
179.03532	0.7
179.05600	0.7
179.07211	0.4
179.10782	7.8
180.11147	0.4
181.05106	0.5
181.07109	0.4
183.04532	1.0
185.06096	1.4
187.04068	1.2
189.01991	0.4
191.01996	3.1
191.05597	0.4
195.05110	11.8
195.06601	0.5
196.05403	0.6
199.04024	2.9
201.01865	1.2
201.05492	1.2
203.03439	0.6
205.08560	0.4
211.03990	1.5
213.01927	0.7
213.05405	0.5
214.02641	0.4
215.03465	1.4
223.09764	1.4
226.02676	1.6
227.03487	3.8
229.01524	0.4
229.05090	2.6
231.03052	0.5
239.03529	0.6
242.02278	0.8
243.02953	5.7
244.03435	0.5
245.04477	0.5
254.02228	0.8
255.02975	7.1
256.03500	0.8
257.04443	1.2
259.02399	0.4
271.02451	59.7
272.02826	6.5
273.04001	0.8
283.02347	0.8
285.03983	0.9
289.07181	1.3
299.01968	100.0
300.02499	17.0
301.03519	69.4
302.03867	7.0
314.02554	0.4
357.15500	0.7
383.13199	2.5
387.11142	0.4
387.20520	1.8
401.14514	11.2
402.14847	1.4
417.15787	0.6
433.07681	8.6
434.08087	1.3
446.02167	0.9
446.08514	28.6
447.09268	50.3
448.09598	7.1
475.21790	1.3
493.23050	0.7
503.17993	1.0
519.24567	2.4
535.19965	0.8
561.18317	5.7
562.18817	0.7
579.13574	61.3
579.20605	17.4
580.12512	11.2
580.20679	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	579.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03181	0.3
52.19601	0.4
57.03519	2.1
58.00629	0.5
59.01128	0.9
59.01454	7.1
61.98904	1.3
63.02468	0.5
64.35857	0.8
65.00396	0.6
66.26543	0.4
69.71368	2.6
71.01469	6.8
72.99397	1.1
73.03041	1.2
75.00506	0.8
75.00964	7.7
80.05512	0.4
83.01493	1.2
85.02506	0.6
85.03052	6.8
87.00982	2.7
89.02545	3.0
93.03547	0.7
97.03028	0.9
99.00998	2.3
101.02467	2.6
107.01498	1.0
109.02962	2.0
111.01007	1.3
113.02455	2.2
116.03641	0.5
119.01412	0.4
119.03596	0.6
121.03076	0.7
123.04623	0.4
125.02585	1.6
129.01947	5.6
131.03564	0.7
133.03053	0.4
135.00938	0.6
135.11934	1.1
137.02560	1.1
141.02029	0.6
143.03557	0.4
147.03119	0.6
149.02589	0.5
149.04633	0.5
151.00377	6.1
158.51120	0.4
159.03105	2.3
159.04483	0.7
161.02559	0.7
161.04662	1.2
161.06029	0.6
161.09833	1.3
163.00389	1.8
163.04044	0.4
165.02036	1.5
165.05678	0.6
171.04616	1.0
173.06105	0.5
175.00548	0.5
175.03990	1.0
177.04063	10.6
177.05478	0.7
178.04510	0.3
178.99889	1.9
179.10754	4.1
183.04604	0.8
185.06218	1.0
187.04028	1.1
189.05440	0.5
191.00172	0.6
191.02083	1.3
191.05688	0.5
195.05099	7.3
195.06677	0.7
199.04016	3.4
199.05557	0.4
201.01985	0.7
201.05664	1.4
203.03395	0.4
203.84010	0.3
211.04121	1.6
213.05486	0.5
215.03471	1.8
223.09822	0.8
226.02704	0.8
227.03488	3.7
228.04263	0.7
229.05042	2.8
231.03139	0.4
239.03494	0.6
243.02975	4.6
244.03645	0.4
245.04437	0.7
254.02200	1.1
255.02946	5.9
256.03561	0.9
257.04605	0.9
259.02768	0.4
271.02444	55.0
272.02777	6.5
273.03986	0.9
282.01758	0.7
283.02386	0.7
289.07086	0.7
299.01959	100.0
300.02490	16.9
301.03519	68.0
302.03928	6.0
383.13339	1.1
387.20221	2.8
401.14490	7.0
402.14767	0.7
433.07837	7.7
434.07840	0.8
446.08502	28.4
447.09250	51.5
448.09692	6.9
457.21036	0.4
475.21637	0.9
493.22864	0.5
519.24506	2.2
520.24426	0.4
561.18103	3.6
570.45325	0.4
579.12659	66.8
580.13135	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	579.115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20879	0.3
59.01378	4.0
61.00583	0.3
61.98828	44.6
62.98544	0.3
63.02399	2.7
65.00320	6.1
71.01376	3.2
72.99298	0.4
73.02959	0.6
83.01387	4.6
85.02965	0.9
85.12846	0.3
87.00894	0.6
88.98830	0.5
89.02457	0.8
89.99213	0.3
91.01929	0.6
93.03465	3.3
95.01427	0.4
97.02962	0.4
98.19847	0.8
101.02450	1.6
107.01398	11.9
108.02219	0.8
109.02959	3.8
111.00847	0.4
113.02487	0.9
117.03487	1.3
118.03813	0.4
119.01409	0.6
119.03660	0.4
119.05037	11.3
120.05356	0.7
121.02956	6.8
121.03732	0.5
123.00870	0.3
123.04532	0.6
124.01703	0.3
125.02468	2.8
133.02986	1.4
135.00929	0.7
135.04559	0.5
136.01770	0.3
137.02457	0.9
139.04013	0.4
143.05057	0.5
145.02954	4.4
146.03351	0.4
147.04526	0.4
148.01714	0.6
149.02463	1.3
149.99661	0.4
151.00383	44.5
152.00693	2.1
153.01938	0.5
159.04518	1.0
161.02472	2.6
161.04619	0.8
161.06082	0.7
162.03108	0.3
163.00383	3.7
163.03987	2.3
164.01141	1.1
165.01936	1.5
165.69571	0.3
167.05194	0.4
168.00684	0.7
169.01468	1.7
171.04544	0.5
173.06126	0.8
175.00494	0.6
175.04030	0.6
177.01906	1.8
178.99866	14.5
180.00255	0.9
183.04552	0.9
185.02515	0.3
185.06166	1.1
187.04044	1.4
189.02031	0.4
190.99821	0.5
192.00697	0.5
193.01399	1.3
199.04018	0.9
201.05577	1.4
203.03482	0.7
211.03932	1.8
211.07622	1.9
212.07999	0.3
213.01904	0.5
213.09186	0.3
215.03447	0.9
216.04333	0.4
226.02620	0.6
227.03503	2.6
227.07014	0.4
228.04160	0.5
229.05092	1.5
239.03481	0.7
243.02953	4.4
244.03485	0.4
245.04532	2.8
254.02240	0.9
255.02954	12.4
256.03439	1.4
257.04556	0.7
257.11813	0.7
266.02032	0.5
271.02512	22.2
271.06116	33.1
272.02942	2.3
272.06451	3.6
273.03998	2.3
283.02451	2.6
284.03003	0.4
285.04184	0.6
285.07709	0.4
289.06894	0.4
295.06192	0.7
299.01947	2.8
300.02740	31.0
301.03510	100.0
302.03885	9.2
302.11572	0.4
307.08276	0.9
313.07153	0.6
357.26416	2.7
399.18216	0.5
415.06705	1.4
433.07697	3.0
434.08163	0.4
519.33173	2.2
529.08710	0.3
579.11499	24.6
579.26794	6.2
579.35431	1.1
580.11865	4.3
580.27734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01377	9.9
60.99316	0.4
61.98827	33.8
62.92323	0.3
63.02404	1.8
65.00322	2.3
71.01387	5.5
71.62122	0.4
72.99337	0.9
73.02953	1.1
73.22092	0.3
75.00894	1.2
78.91957	0.3
78.95923	0.4
81.03474	0.4
82.95420	0.4
83.01391	2.8
83.05014	0.4
85.02955	3.0
86.41560	0.3
87.00905	0.8
87.04558	0.4
88.98815	0.9
89.02458	2.6
91.01892	2.8
93.03452	3.2
95.01406	0.5
95.05022	0.3
97.02983	0.5
99.00907	0.3
99.04513	0.4
99.92593	0.3
101.02451	3.8
107.01409	6.1
108.02206	1.2
109.02970	3.9
109.06532	0.3
111.00916	0.4
111.04559	0.4
113.02473	2.2
115.04046	0.4
116.92876	2.7
117.02001	0.5
117.03461	2.1
117.92963	0.4
119.01406	0.6
119.03549	0.8
119.05041	4.7
120.05360	0.3
121.02975	4.7
123.00901	0.4
123.04542	1.2
124.01700	0.4
125.02438	2.0
127.66208	0.3
129.01949	0.6
131.05132	0.3
133.02975	1.1
134.03757	0.5
135.00890	1.9
135.04523	1.5
137.02489	1.8
139.04022	0.4
141.07173	0.3
142.67673	0.3
143.05067	1.0
145.02982	9.3
145.06546	0.4
146.03342	0.6
147.04584	0.4
148.01703	0.6
149.02486	0.7
149.04608	0.3
149.06084	0.5
149.99649	0.4
150.03265	0.4
151.00386	18.5
151.03961	0.4
152.00905	1.3
153.01997	1.7
155.10796	0.4
157.02934	0.3
157.06619	1.0
158.03760	0.4
159.04503	1.8
160.01669	0.6
161.02441	4.1
161.04614	0.6
161.06059	0.8
162.03044	0.7
163.00398	4.3
163.04018	5.2
164.01140	0.7
165.01955	1.0
167.03613	0.4
167.05020	0.6
168.00667	0.8
169.01459	1.9
169.06587	0.9
171.04538	1.2
171.10240	0.4
173.04655	0.6
173.06065	0.6
174.03259	0.5
175.04007	1.3
177.01970	0.4
177.03931	0.3
178.99876	9.2
179.03471	0.6
179.05609	0.5
180.00407	0.4
181.07281	0.5
183.04530	0.9
185.06117	3.3
187.04027	4.4
187.07607	0.5
188.04376	0.4
189.01913	0.5
189.05666	1.4
191.03833	0.3
191.05672	0.6
192.00734	0.4
193.01398	0.5
193.05194	0.6
195.04544	0.5
196.05295	0.3
197.06091	1.1
197.11842	0.9
199.03938	1.4
201.05605	1.3
203.03571	0.6
203.07272	0.3
205.05042	0.5
209.11868	0.6
211.02502	0.3
211.04036	3.3
212.04628	0.7
213.02043	0.3
213.05577	2.2
215.03558	0.9
215.10860	0.4
223.04150	0.5
226.02718	0.5
227.03496	3.9
228.04013	0.7
229.05045	14.0
230.05353	1.7
239.03500	2.0
240.04233	0.9
241.04994	1.9
243.02971	2.9
245.04439	1.6
251.16560	0.5
255.02972	9.4
256.03506	2.2
257.04504	7.7
258.04910	0.8
267.02893	0.9
267.16086	0.5
269.97678	0.4
271.02472	16.9
271.05988	1.5
272.02939	1.9
272.05768	0.3
273.03949	1.2
283.02475	1.7
283.16949	0.4
284.03229	1.3
285.04034	100.0
286.04385	10.2
286.06729	0.3
287.05490	2.1
289.07159	0.4
293.06622	1.5
299.01935	4.2
300.02744	25.4
301.03506	53.6
302.03864	5.0
307.08270	0.4
326.11804	0.4
327.12207	0.6
327.19574	0.7
341.06628	0.4
355.19147	0.5
357.26285	0.4
381.16898	0.5
399.18109	1.8
415.06537	2.2
417.08414	1.5
417.24374	0.3
433.07697	5.1
434.08099	0.6
485.14941	0.4
507.35159	0.5
519.32251	5.8
520.32318	0.9
579.11420	20.5
579.18329	0.9
579.27094	5.4
580.11560	4.9
580.28296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
58.00588	0.4
59.01379	11.0
61.98829	69.6
63.02402	1.9
65.00330	4.3
69.03466	1.5
71.01385	7.1
71.57044	0.4
72.99320	1.0
73.02959	2.0
76.72586	0.4
78.95906	1.0
83.01392	3.9
83.05071	0.6
85.02969	3.7
87.00882	1.1
87.04520	0.5
88.98823	1.9
89.02455	4.0
91.01913	0.7
93.03458	3.4
95.01387	0.9
95.05030	0.5
96.96978	0.8
97.02953	1.4
99.00874	0.7
99.92623	0.4
101.02435	4.0
107.01398	9.6
107.05002	0.4
108.02213	3.4
109.02979	4.3
111.00883	0.7
113.02451	3.2
116.92873	5.3
117.02155	0.4
117.03487	5.9
119.01406	1.4
119.03537	1.3
119.05038	8.4
121.02969	9.7
123.00858	0.8
123.04520	1.0
124.01702	1.1
125.02463	4.7
131.03581	0.9
132.83478	0.5
133.03004	2.4
135.00894	3.0
135.04530	2.2
137.02455	2.7
139.04045	0.9
143.05038	1.1
145.02965	17.2
146.03380	1.4
147.00890	1.7
147.04538	1.4
148.01733	1.3
149.02448	2.7
149.06064	0.7
149.99670	0.5
150.03177	0.5
151.00381	35.6
151.04025	1.0
152.01175	4.7
152.99580	0.4
153.01920	1.1
159.04529	1.5
160.01697	0.7
161.02469	6.5
161.04575	1.5
161.06038	1.0
162.03230	0.6
163.00374	5.5
163.04033	7.5
163.05356	0.5
163.06049	0.9
164.01135	1.0
164.04785	1.8
165.01920	1.3
167.03514	0.8
168.00676	1.4
169.01454	2.6
171.04527	0.7
172.05165	0.6
173.04616	0.7
173.06055	0.7
174.03291	0.4
175.00383	4.9
175.04010	1.8
176.01085	0.6
177.01947	1.3
177.03876	0.4
177.05534	0.6
178.99875	17.0
179.03461	1.2
179.07011	0.6
180.00195	0.6
181.07178	0.8
183.04549	1.4
185.02492	0.5
185.06119	0.8
187.04012	1.6
189.01988	1.2
189.05635	0.5
190.02733	12.8
191.03284	0.7
191.05603	0.6
193.01544	0.5
198.03166	0.5
199.04022	1.9
201.05634	1.3
203.03572	0.7
205.05072	13.5
205.07077	0.8
209.04561	0.6
209.11800	1.5
211.04041	2.6
211.07555	0.4
213.05537	0.5
215.03549	1.2
216.04176	0.5
223.06125	1.2
226.02675	1.3
227.03502	4.4
227.07161	1.8
228.03952	0.5
228.07520	0.6
229.05061	2.0
239.03590	0.8
243.02971	7.0
243.06642	5.6
244.03268	0.7
245.04527	3.2
253.05090	1.0
253.18185	2.8
254.02225	1.7
255.02966	18.8
256.03415	1.5
257.11887	0.6
259.05997	0.6
265.07208	0.6
271.02469	38.7
271.05981	3.9
272.02859	4.1
272.06039	0.9
273.04001	3.1
283.02472	3.1
283.13272	0.6
284.02997	2.4
285.03949	3.7
286.04330	1.1
299.02011	8.6
300.02747	58.7
301.03506	100.0
302.03879	8.4
307.08228	0.9
325.11517	1.0
341.06662	0.9
357.13806	1.0
357.26215	0.6
415.06699	5.2
416.07071	0.5
419.10907	0.4
433.07751	11.1
434.07953	0.9
501.30917	0.7
517.09821	2.7
518.31042	0.6
519.32080	2.1
535.31543	0.7
578.27124	1.4
578.34918	0.7
579.11377	38.1
579.27863	29.4
580.11768	6.7
580.28772	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32027	0.2
50.95279	0.1
56.58671	0.2
59.01381	17.6
59.17873	0.2
61.98832	3.1
64.66022	0.2
69.45168	0.2
69.54279	1.5
71.01390	1.1
73.02953	0.3
77.19544	0.2
78.95912	6.0
78.98588	0.5
79.95748	0.8
80.96523	6.2
82.96099	0.6
85.02948	0.3
87.00860	0.2
88.98798	0.3
89.02415	0.3
91.24471	0.2
91.26798	0.2
94.95007	0.2
94.98112	1.5
97.02958	0.2
98.19870	0.3
101.02447	0.2
106.07690	0.2
106.98083	0.2
122.97596	0.3
125.02462	0.5
130.44681	0.2
134.97598	0.3
137.02428	0.2
145.03059	0.2
148.99144	0.4
150.03339	0.2
152.98582	0.5
152.99635	1.2
164.98654	0.9
168.04359	1.3
187.62602	0.2
206.99536	0.2
224.06909	0.7
225.00728	1.1
226.01131	0.3
242.08032	2.8
243.08362	0.2
243.34106	0.2
261.22079	0.6
277.21808	0.4
279.23288	100.0
280.23636	11.1
341.72272	0.2
380.24399	0.2
504.30933	35.9
505.31216	7.0
505.38739	0.4
543.34143	0.4
578.27228	9.3
579.27203	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	579.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
59.01093	0.8
59.01374	13.1
60.99305	15.5
61.98825	5.1
65.00319	0.9
69.30535	4.6
71.01391	1.5
73.02951	0.7
83.01389	1.0
85.02973	0.8
88.98811	100.0
89.02465	1.1
89.99155	1.2
92.94982	0.4
93.03473	0.6
101.02454	1.4
105.01956	0.4
107.01402	1.4
108.02216	0.6
109.02967	1.2
111.00898	0.4
113.02508	0.7
119.05037	0.8
121.02949	1.4
123.24587	0.4
125.02427	0.9
137.02493	0.4
145.02966	1.2
148.01704	0.6
151.00385	6.5
155.10786	0.4
161.02446	0.8
163.00377	1.7
165.04039	0.8
178.99879	3.8
211.04031	0.7
226.02762	0.6
227.03488	1.5
229.05084	0.6
243.02985	4.2
245.04388	1.0
254.02298	1.4
255.02966	10.8
256.03302	1.5
271.02454	19.6
271.05795	1.0
272.02844	2.5
273.03842	0.4
283.02493	1.0
299.01895	0.5
300.02747	47.0
301.03455	24.1
302.03870	1.7
311.88849	0.4
428.73431	0.4
447.09219	1.0
489.10345	68.9
490.10703	11.7
579.19519	0.7
579.28558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00599	0.3
56.63479	0.2
59.01377	24.8
60.01699	0.3
61.98831	3.2
71.01382	1.1
71.30350	0.7
76.86515	0.3
78.95906	23.2
78.98592	0.4
79.95753	0.7
80.96521	7.2
82.96095	0.9
85.02939	0.3
87.00886	0.5
90.79458	0.3
91.79821	0.3
94.98093	1.7
96.96975	0.5
101.02425	0.3
122.97627	0.3
122.98515	0.4
125.02446	0.4
134.97562	0.4
148.99028	0.6
152.98621	0.4
152.99641	3.4
164.98668	1.0
168.04335	3.5
195.55064	0.3
212.04532	0.3
224.06927	9.0
225.00684	0.9
226.01102	0.5
240.72058	0.2
242.08049	2.2
261.22147	0.6
277.21725	0.3
279.23270	100.0
280.23621	11.8
334.40244	0.3
376.04282	0.3
436.84546	0.3
446.06967	0.3
470.66901	0.3
504.30914	76.2
505.31226	13.5
505.38760	0.5
578.27161	11.1
578.36194	0.6
579.27155	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	577.3383
Annotation	Gagunin L
Peak:m/z	Relative Intensity
52.05376	0.9
57.03442	1.5
59.01375	34.8
60.99291	1.0
61.98827	65.1
63.99247	1.2
71.01379	8.1
71.05009	1.6
71.27090	0.9
73.02946	3.2
75.00880	1.0
78.95906	2.0
83.05032	1.6
87.00883	2.2
88.98780	1.4
89.02467	1.5
97.02950	0.9
99.04465	0.8
101.02422	1.2
109.02962	1.1
116.92877	2.3
125.02477	2.5
137.02466	0.9
143.67503	0.8
185.53271	0.7
191.05627	1.1
255.02959	1.7
283.02402	3.1
285.04025	5.2
301.18134	2.9
327.19681	3.2
347.18372	1.4
361.20117	1.7
367.22504	1.1
385.23868	4.8
387.21432	4.2
399.25372	4.0
408.21548	1.0
409.27560	1.3
413.26886	1.5
427.28720	11.4
428.29111	1.2
431.09888	2.5
441.26389	2.5
445.25803	4.2
451.86703	0.9
469.29581	11.5
470.29984	2.5
471.31274	2.6
473.28983	1.6
487.30420	4.3
488.31305	1.1
489.28961	1.0
499.30359	1.4
501.28625	3.2
514.28821	0.9
517.31635	35.4
518.32019	7.4
531.33209	2.4
533.33795	0.8
559.33038	1.9
577.14783	3.0
577.33850	100.0
578.34216	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	578.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82688	0.2
59.01377	4.3
60.99300	0.3
61.98828	100.0
70.18189	0.2
71.01379	0.6
71.61228	0.4
72.99310	1.1
73.02939	0.2
77.41994	0.2
78.95920	0.3
82.79987	0.2
83.05027	0.3
87.00866	0.3
88.98825	1.4
89.02444	0.4
93.22794	0.3
118.54118	0.2
121.03010	0.2
175.04048	0.3
202.08810	0.3
203.56883	0.3
212.19670	0.2
283.02463	0.2
284.02768	0.3
301.18155	0.3
328.20135	0.3
362.20615	0.3
414.27258	0.4
470.29843	0.4
473.28464	0.3
474.29587	0.4
485.32718	7.4
515.30823	0.3
518.31641	0.9
519.32532	0.4
530.32159	0.6
578.34180	9.1
579.34546	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	578.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.8
60.01686	0.1
61.98828	100.0
62.98527	0.2
70.94217	0.3
75.00883	1.0
75.31573	0.2
76.99966	0.1
78.91892	0.7
78.95908	0.3
80.55218	0.2
109.03041	0.2
121.26672	0.2
125.02467	0.2
149.24014	0.2
166.88530	0.2
206.31644	0.2
206.99495	0.1
209.80540	0.1
251.84439	0.2
302.18546	0.3
432.10419	0.2
515.29559	0.2
516.30841	0.3
518.30731	0.9
578.16638	0.2
578.34180	1.3
579.34412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98832	100.0
69.35300	0.5
69.35716	1.4
72.99317	0.5
82.64599	0.2
82.65128	0.2
83.05048	0.2
88.98811	0.2
89.02457	0.8
116.25221	0.2
123.54642	0.2
157.68015	0.2
164.81830	0.2
219.52148	0.2
357.76346	0.2
485.33130	0.2
503.30060	0.3
518.32172	0.4
528.36182	0.2
578.34174	1.2
579.35059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.6
61.98829	35.8
63.96238	1.6
63.99248	0.3
69.03459	0.6
71.01380	7.2
71.59451	0.7
72.99310	0.5
73.02953	1.3
78.95902	1.5
78.98599	6.0
79.42310	0.3
79.95741	11.2
80.96519	72.7
81.03452	1.2
83.01369	0.4
85.02958	3.5
87.00881	3.1
88.98827	1.0
94.98093	16.9
96.96006	1.5
97.02980	1.7
99.00865	0.6
99.04570	0.4
101.02451	2.8
106.98103	3.4
112.84968	0.4
113.02477	0.8
120.65969	0.3
122.97601	3.6
125.02457	3.6
127.04028	1.0
134.97585	5.5
136.99150	1.5
146.97667	0.4
148.99147	5.8
152.98616	5.1
152.99637	0.7
158.94266	0.4
164.98634	11.2
167.00143	0.6
185.77374	0.3
188.98581	0.5
196.69275	0.3
196.89522	0.4
206.99707	1.7
209.11996	0.4
220.63396	0.3
225.00731	15.7
226.01126	1.1
240.02753	0.3
277.21704	2.0
278.22058	0.6
279.23264	1.5
285.03998	0.5
299.04352	4.0
322.76898	0.4
380.28867	1.4
471.34644	0.5
557.57355	0.4
577.26880	100.0
578.27228	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01365	5.7
60.09985	0.6
61.98828	42.1
63.96228	1.3
64.46604	0.6
69.03462	0.8
71.01383	7.8
71.62659	0.7
71.63069	0.8
73.02941	1.8
78.95902	2.2
78.98601	5.7
79.95742	10.2
80.96520	75.4
81.03466	0.9
83.01427	0.6
85.02950	3.1
87.00884	3.1
88.98778	1.0
94.98096	16.5
95.01357	0.7
96.96007	1.1
97.02962	1.2
101.02484	2.7
102.71781	0.7
103.49712	0.6
106.98090	3.3
113.02499	0.8
122.97572	4.1
125.02455	4.5
127.04021	1.0
134.97592	4.7
136.99124	1.7
148.99127	6.0
152.98639	5.6
152.99693	1.0
164.98639	11.9
201.05534	0.7
206.99643	2.0
209.11847	1.1
225.00757	17.0
277.21744	2.2
279.23257	1.7
285.04047	1.6
299.04349	3.0
301.18127	1.3
431.09918	0.8
473.29007	0.6
495.01627	0.6
577.26837	100.0
578.27173	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	577.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58518	1.1
57.03436	2.1
59.01376	61.1
61.98829	100.0
71.01386	3.5
71.05031	1.3
71.28889	1.3
72.99298	6.1
73.02927	4.2
75.00879	3.2
77.58042	1.4
83.05013	2.7
88.98826	1.6
93.03452	2.1
98.20647	3.9
101.02429	2.6
125.02422	3.0
133.19672	1.4
135.04578	1.7
156.88559	1.2
161.02350	2.0
255.02892	2.8
283.02518	6.1
285.03998	8.6
301.18015	2.6
361.20248	1.8
382.52444	1.6
423.28888	5.7
431.09833	5.7
437.41092	1.6
439.28549	3.1
441.30328	1.5
451.28558	8.0
452.28925	1.6
457.29639	5.2
458.29990	1.6
469.29547	12.3
470.29944	3.0
487.30594	19.7
488.31152	4.5
499.30597	2.8
517.31647	99.2
518.32123	21.0
559.32983	1.8
577.15076	4.2
577.33820	67.5
578.34186	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	577.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
57.03435	3.2
58.00579	3.7
59.01375	100.0
61.98814	5.2
69.03464	7.4
70.02134	1.2
70.64394	4.0
71.01385	83.8
72.01725	1.3
72.62289	1.1
72.99306	5.3
73.02949	11.5
75.00875	6.1
81.03465	4.0
83.01400	7.1
83.27328	1.2
85.02962	24.4
87.00878	10.1
89.02450	92.4
93.03468	4.0
95.01392	7.0
96.96024	3.2
97.02952	9.7
99.00900	5.5
99.04516	1.3
101.02456	62.0
109.02944	2.7
109.95352	1.4
111.00871	2.5
113.02457	30.6
117.03469	2.0
119.03517	44.6
119.04980	2.6
121.02866	1.5
123.04545	2.6
125.02460	40.6
126.51803	1.1
128.90181	6.4
129.01917	4.0
131.03516	8.2
133.06630	6.7
134.03729	1.5
135.03006	2.5
135.04529	4.5
136.01680	1.6
137.02444	7.8
139.04039	2.5
143.03511	13.1
145.02953	4.9
149.02431	1.4
149.04543	5.3
151.00377	2.7
159.03065	1.3
161.02419	2.9
161.04564	13.6
161.05908	1.8
163.02711	1.9
163.04022	28.8
167.03410	1.4
175.03964	3.3
177.04054	2.3
178.06372	19.3
179.03470	4.6
179.05598	25.5
179.10800	2.1
187.03870	1.5
191.05521	1.8
193.08723	10.5
195.01241	2.3
203.07047	3.1
215.07076	3.0
221.06654	25.4
222.07033	1.8
239.05547	2.4
255.02914	4.5
259.06067	1.9
263.07715	8.9
269.04605	1.4
271.02536	1.4
281.06662	2.3
283.02420	5.5
285.04099	11.8
289.07080	1.7
299.07687	2.4
300.02734	1.5
323.09848	57.8
324.10025	4.0
430.08969	1.9
431.09778	4.9
447.09320	2.3
515.15247	1.5
517.30157	3.2
559.14429	3.3
560.14801	1.4
577.14581	8.2
577.28986	2.1
578.15894	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	577.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
57.21549	0.8
59.01380	9.7
61.98837	7.0
69.03454	2.4
71.01387	9.5
71.65859	1.1
72.99310	1.7
73.02935	2.6
75.00873	1.8
83.01389	1.6
85.02961	5.0
87.00891	1.4
89.02451	4.8
93.03466	70.0
94.03805	2.5
95.01433	0.9
96.96008	1.8
99.00868	1.6
99.11730	0.6
99.92564	0.9
101.02450	4.2
108.02197	1.1
109.03006	1.0
111.00912	0.8
111.99847	0.6
113.02470	3.8
114.61006	0.6
115.92075	1.0
116.92892	1.4
117.03474	16.5
118.03851	1.1
119.03524	2.4
119.05045	14.4
120.05363	1.0
121.02978	0.8
123.04540	1.1
124.16729	0.7
125.02451	5.3
129.01955	1.4
131.03537	1.4
131.05087	0.7
133.02980	0.9
134.03751	0.9
135.04579	1.2
137.02461	77.6
138.02783	3.3
143.03510	0.8
145.02968	100.0
146.03313	6.5
151.00400	3.1
151.02257	2.1
151.04080	0.9
152.01123	1.5
153.01921	2.6
155.10802	1.1
159.03159	0.7
159.04463	0.9
160.01695	2.1
161.02397	2.7
161.04622	1.2
161.06085	1.5
163.04013	15.3
164.04306	1.4
165.01997	0.9
175.03990	3.9
175.07571	1.1
177.02008	0.7
177.04071	1.2
178.99901	0.9
179.05710	1.2
179.10760	1.9
187.03964	1.5
190.23535	0.6
191.05663	1.6
193.05042	1.1
193.08772	0.8
195.01219	2.9
205.05139	0.9
215.07295	0.7
223.07599	1.1
235.06111	0.8
237.07631	1.5
239.00111	0.7
255.02960	1.8
269.04691	0.9
279.08636	0.9
283.02502	2.0
285.03992	3.8
287.05618	1.4
289.07104	0.8
307.08218	49.6
308.08496	4.5
315.05121	0.7
337.09363	1.2
399.13153	0.8
407.08264	0.8
429.11609	0.9
431.09717	2.0
445.11377	60.1
446.11606	8.6
517.30402	1.9
533.11053	1.3
559.14941	0.8
577.15533	14.9
577.28308	1.9
578.15686	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	577.1563
Annotation	Kaempferol-3,7-O-bis-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
53.73938	0.3
63.02403	0.4
66.47258	0.3
69.28583	0.4
69.28750	0.8
69.29169	1.9
83.01402	0.7
93.03477	0.7
107.01400	0.8
109.02942	0.6
117.03414	0.5
121.03059	0.3
125.02450	2.1
137.02448	0.7
143.05074	0.7
145.06555	0.4
151.00385	0.9
154.04265	1.1
154.30290	0.3
155.05029	0.4
159.04501	0.9
161.02499	0.8
163.00391	0.7
165.02003	0.4
167.05061	0.4
169.06598	2.5
171.04469	0.6
173.02464	0.9
173.06148	0.3
183.04515	1.7
185.06055	2.4
187.03998	1.7
189.05588	1.5
195.04555	0.5
197.06200	0.3
211.04022	2.5
213.05582	2.6
214.02687	1.3
215.03539	1.4
227.03488	4.9
228.03900	0.4
229.05121	1.7
239.03459	1.1
241.04997	1.3
243.02943	1.5
245.08151	0.4
255.02969	30.9
256.03369	3.2
257.04526	2.6
258.05002	0.3
283.02466	69.9
284.02988	10.0
285.04028	100.0
286.04385	9.5
289.07227	1.5
407.07880	0.7
425.08231	0.4
430.09030	14.5
431.09818	56.4
432.10181	7.1
451.09927	0.4
577.15643	40.1
578.15991	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1358
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03448	15.5
57.38232	0.5
58.01855	0.5
58.03772	0.5
59.01381	3.6
59.29700	0.4
59.43717	0.4
65.03949	0.5
69.03471	0.9
69.21153	5.4
70.42855	0.4
70.94254	0.4
71.01383	2.4
73.02966	0.5
73.21510	0.4
75.00890	0.5
81.03483	2.1
83.01390	4.6
85.02961	1.1
87.00898	0.6
89.02456	2.7
93.03466	1.5
95.01379	0.8
95.05044	1.4
97.02959	3.4
101.02486	1.2
107.05061	0.8
108.02164	0.9
109.02964	16.8
110.03299	0.7
113.02482	0.9
115.93320	0.5
117.03486	1.1
119.03546	0.5
121.02979	2.1
122.03748	1.5
123.04539	9.9
124.01593	0.4
125.02461	100.0
126.02798	3.8
131.03490	1.5
131.05016	0.6
133.02965	3.1
135.04533	1.4
137.02461	20.5
139.04018	2.0
145.02969	0.9
146.03711	0.6
147.04486	0.8
148.33505	0.4
149.02487	4.2
149.04553	1.3
150.03168	0.9
151.04025	9.0
152.04369	0.5
159.04521	2.5
160.05334	0.9
161.02460	24.0
161.06079	3.5
162.03200	2.6
163.00381	1.7
163.03998	2.8
164.01227	3.1
164.28340	0.4
165.01933	4.9
166.02594	0.6
167.03543	1.5
171.04448	0.4
173.06154	0.7
174.03180	0.6
175.04021	6.9
175.07610	1.4
177.01918	4.0
177.05585	1.0
179.03517	3.6
185.06084	0.7
187.04019	5.6
188.04745	2.6
189.05592	1.5
191.05566	1.2
193.05142	0.8
199.03979	0.8
201.05588	1.3
202.06421	1.0
203.03476	1.5
203.07143	8.9
203.08902	0.8
204.07497	0.7
205.01369	1.9
205.03236	0.8
205.05054	6.5
206.05475	0.4
211.04100	0.6
212.04721	0.7
213.05617	0.9
215.03554	1.4
215.06937	0.5
216.04070	0.5
217.05049	1.7
217.08514	0.5
221.08218	1.7
225.05560	0.7
227.03528	1.3
227.07153	1.5
229.05083	2.6
230.05640	0.8
231.03008	0.7
236.44151	0.5
241.05006	0.6
243.02943	2.1
243.06599	1.0
245.04514	3.9
245.08170	10.4
246.08641	1.0
247.06047	1.1
253.05011	1.0
255.02986	6.8
256.03726	3.1
257.04526	1.6
265.63361	0.5
267.06757	0.5
269.04544	2.0
271.06015	0.8
273.04068	4.3
281.04514	2.8
283.02469	8.4
284.03061	1.6
285.04053	10.3
286.04529	1.9
287.05609	7.1
288.05865	0.7
289.07169	50.3
290.07486	4.5
297.04095	0.9
297.07584	0.9
299.05573	5.8
329.06653	0.7
339.08649	2.3
381.09689	1.6
407.07703	34.9
408.08112	5.6
425.08774	18.1
426.09198	2.6
430.09067	1.7
431.09787	4.9
445.87454	0.5
451.10272	11.6
452.10825	1.9
453.48367	0.6
517.23065	0.5
541.10608	0.8
559.12494	1.1
577.13776	11.0
578.13409	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10347	0.4
56.22749	0.4
57.03444	0.8
58.09034	0.4
58.77552	0.4
59.01099	0.7
59.01379	12.9
61.98827	38.6
69.42605	2.5
69.43018	1.3
71.01366	1.8
72.99299	0.8
73.02934	1.7
75.00861	0.9
78.95885	1.5
80.29450	0.4
83.05030	0.5
83.93523	0.4
85.02943	1.1
87.00905	1.0
87.04518	0.6
88.98808	0.8
89.02431	1.1
89.72990	0.4
91.22406	0.4
93.03425	1.0
96.96015	0.8
101.02419	1.7
109.02962	1.0
111.72462	0.4
112.90968	0.4
113.02441	1.1
113.39249	0.5
117.03475	1.5
119.05030	1.1
121.02931	0.9
123.04530	1.0
125.02475	3.5
127.45313	0.4
133.02905	0.5
134.03696	0.5
135.04518	0.9
137.02414	1.4
145.02988	3.7
149.99541	0.5
151.00392	0.9
152.99541	0.5
160.39488	0.5
161.02434	2.3
161.06079	0.5
163.00388	0.5
163.04010	0.9
168.00641	0.7
173.04567	1.0
173.06038	0.7
175.03932	0.7
183.04344	0.7
187.04002	1.3
189.01865	1.0
189.05560	1.4
190.02682	0.6
191.05621	1.4
199.03996	0.7
201.05496	1.0
203.03491	0.8
203.07195	0.6
211.07668	0.4
215.03470	2.0
215.07069	0.5
216.04166	1.2
217.01392	0.6
217.05127	2.4
227.03508	2.9
229.01537	0.6
229.04991	1.2
231.02969	0.8
232.03822	0.6
232.39059	0.5
232.94498	0.5
240.61371	0.4
243.02863	1.9
244.03584	1.0
245.04521	4.8
246.05208	0.5
255.02979	4.4
256.03622	1.1
257.00891	1.4
257.04382	0.9
258.01617	0.6
258.05319	0.9
259.06107	1.1
261.07770	0.8
271.06107	1.2
273.03946	0.8
273.07550	0.9
277.07309	1.0
283.02505	2.5
284.03207	3.2
285.04001	8.8
286.04520	0.9
287.05597	8.9
288.06262	2.3
289.07156	9.2
290.07538	1.0
315.04840	0.8
329.08316	0.6
341.07858	0.7
343.05667	0.6
344.06433	0.5
346.08325	0.5
355.09625	1.1
356.06430	0.6
357.07507	1.2
359.09518	1.0
369.07657	0.9
370.04596	0.5
371.09201	1.5
372.09933	1.0
373.07104	1.2
375.08813	1.3
380.07080	0.5
381.07605	1.4
382.08505	1.1
383.05142	0.7
383.09290	1.2
385.07120	0.7
385.23941	0.8
387.08945	0.7
389.10556	0.6
397.07126	1.3
398.07773	0.6
399.08600	1.6
400.09302	1.2
401.06323	0.6
403.07910	0.7
407.07190	0.5
409.06985	0.9
410.07773	0.6
416.08905	0.9
417.09671	2.2
418.10403	0.9
419.11163	1.4
425.06570	1.5
426.07379	1.1
427.08044	1.5
428.08792	0.9
429.09872	1.1
430.09677	1.0
431.09946	2.4
439.08585	0.6
441.10248	1.2
443.11258	1.7
445.09116	0.5
447.10571	1.5
453.10208	0.7
454.06387	0.6
457.08887	0.5
459.10974	2.3
460.11417	1.2
467.07773	0.9
469.09073	2.7
470.09818	1.7
471.10806	1.6
473.12326	1.0
482.09781	1.1
485.12906	0.5
487.09995	4.9
487.30038	0.8
488.10788	1.3
491.13556	4.6
492.13962	0.7
497.08212	0.6
499.30655	1.2
503.13971	0.8
513.11853	0.8
515.10040	2.7
517.31885	6.6
518.31665	0.6
531.12830	6.3
532.13287	1.7
533.12122	0.8
541.11926	0.6
559.12427	15.4
560.12817	3.5
576.32458	1.1
577.13501	100.0
577.33936	17.5
578.13861	23.7
578.33960	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.6
59.01358	0.6
69.51852	2.9
69.52271	2.0
81.03466	1.6
83.01379	5.3
93.03452	1.5
95.01403	0.7
95.05035	2.7
97.02960	4.1
107.05035	1.0
108.02139	1.0
109.02964	17.8
116.92880	1.7
117.03515	0.8
121.02986	3.2
122.03770	1.3
123.00930	0.7
123.04536	13.0
123.05375	1.0
125.02459	100.0
126.02785	2.9
131.05083	0.8
133.02989	4.6
135.04500	1.3
137.02458	18.9
139.03979	2.9
145.02946	1.5
146.03758	1.0
147.04518	1.2
149.02493	5.4
150.03229	1.1
151.04022	13.8
152.04333	0.6
159.04510	2.6
161.02458	26.8
161.06097	4.7
162.03116	2.3
163.00427	2.6
163.03984	3.2
164.01167	5.2
165.01965	4.2
167.03508	1.0
173.06102	0.7
174.03171	0.7
175.04008	10.4
175.07552	1.3
177.01932	6.5
177.05620	1.0
178.02678	0.8
179.03535	4.3
185.06136	0.7
187.04001	6.5
188.04796	3.8
189.05540	1.1
193.05121	0.7
199.04033	0.8
199.07721	0.8
201.05598	1.5
202.06396	1.3
203.03514	1.8
203.07132	8.8
205.01428	2.3
205.05055	8.1
211.03986	1.5
212.04756	0.9
213.05588	0.9
214.02716	0.8
215.03455	1.6
217.05008	2.6
217.08424	0.5
221.08208	2.2
225.05652	0.8
227.03583	1.5
227.07172	1.6
228.04318	1.6
229.05048	2.8
230.05611	1.4
231.02843	0.8
243.02992	2.0
243.06560	0.7
243.15770	0.6
245.04591	4.7
245.08208	13.0
246.08623	1.2
247.06139	1.2
253.05066	1.4
255.02979	8.0
256.03687	4.7
257.04422	1.9
269.04486	2.4
273.04105	3.5
275.94421	0.6
281.04642	3.4
282.01727	0.9
283.02463	1.9
285.04086	2.1
287.05591	7.9
288.06003	1.0
289.07169	60.8
290.07544	5.1
297.04230	0.8
299.05612	5.2
321.07617	0.7
329.06903	1.4
331.08231	0.7
339.08844	3.6
381.09882	1.5
407.07700	52.0
408.08020	7.1
422.48148	0.5
425.08768	24.1
426.09140	3.0
433.09671	0.6
451.10254	13.8
451.16080	0.9
452.10678	2.1
478.43854	0.7
559.12573	1.2
577.13556	8.8
578.14288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01096	0.7
59.01377	9.9
60.95377	0.3
61.98829	33.9
63.02389	0.8
65.00313	0.5
68.73169	0.3
69.59347	1.6
69.59777	1.2
71.01028	0.3
71.01377	2.3
71.05006	0.5
72.99295	0.7
73.02927	2.0
75.00860	0.5
78.95906	0.9
81.03458	0.4
81.23322	0.4
83.01395	1.5
83.05030	0.8
85.02955	1.4
87.00883	0.7
87.04491	0.5
88.98830	0.6
89.02456	1.6
91.01874	0.6
91.84193	0.4
93.03468	2.8
96.96022	0.8
96.96970	0.4
97.06609	0.5
98.20599	0.8
101.02445	1.1
101.06089	0.5
107.01402	2.7
108.02226	0.6
109.02942	1.7
113.02484	0.8
117.03479	5.9
117.05589	0.4
119.05036	9.2
120.05338	0.4
121.02961	0.6
122.03725	0.5
123.04542	1.1
124.01649	0.5
125.02445	2.8
125.09736	0.7
131.03490	0.5
131.05078	0.6
132.02194	0.5
133.02968	1.2
135.00856	1.3
135.04514	0.6
137.02452	1.6
143.05028	1.4
145.02971	19.8
146.03322	1.1
147.04501	0.4
149.02469	0.5
151.00410	3.5
151.03986	0.5
153.01947	1.0
157.06613	0.7
159.04555	1.7
161.02470	2.7
163.00362	2.9
163.04004	6.2
163.06172	0.5
164.01122	0.4
165.01982	0.9
167.05046	0.8
168.00656	0.6
169.01387	1.1
169.06618	0.7
171.04570	1.1
171.10263	0.8
173.02419	0.6
173.04639	0.6
173.06071	0.8
175.03978	0.5
178.99925	0.6
183.04482	0.7
184.96974	0.4
185.06047	2.9
187.04030	4.4
187.09743	0.6
189.05545	1.2
191.05692	1.8
191.07155	0.5
195.04588	0.7
197.06131	1.1
199.04007	1.3
201.05534	1.2
211.04002	2.7
212.04698	0.5
213.05556	2.6
215.03438	0.6
216.20685	0.4
223.90962	0.4
227.03511	19.7
228.03902	1.8
229.05072	12.0
230.05469	1.4
239.03481	2.0
240.04179	1.0
241.05000	1.9
255.02982	27.7
256.03540	5.3
257.04523	7.7
258.04901	0.6
267.02893	0.9
283.02405	2.5
284.03247	33.7
285.04028	100.0
286.04388	9.8
289.07205	0.9
291.08691	2.8
355.24887	0.7
371.09177	0.9
373.03384	0.4
407.07370	0.7
413.08774	1.3
430.09164	0.4
431.09885	2.8
459.27789	0.5
505.35040	1.3
507.12766	0.4
517.31982	6.2
518.32050	1.3
577.13550	49.7
577.34338	14.4
578.13794	10.6
578.24060	0.6
578.25732	0.5
578.34668	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	576.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.9
60.01711	0.2
61.98827	1.9
64.92033	0.1
70.06868	0.3
70.07280	0.5
71.01406	0.2
78.95909	6.7
126.46999	0.2
142.00418	0.1
152.99619	1.6
153.22906	0.1
155.33722	0.2
168.04300	1.9
177.95459	0.2
224.06938	1.1
231.17744	0.1
233.22751	0.2
242.07997	2.9
259.20560	0.4
266.17941	0.2
275.20187	0.5
277.21701	100.0
278.22040	11.5
278.38022	0.2
340.43686	0.2
502.29358	41.8
503.29712	7.6
503.35709	0.1
503.37567	0.2
546.02124	0.2
577.34180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	15.1
58.92649	0.6
60.93145	0.6
64.07701	0.6
69.03463	0.7
71.51001	0.6
80.50048	0.6
81.03464	2.0
83.01376	4.2
84.77824	0.7
93.03487	2.3
95.01383	1.2
95.05031	2.6
97.02967	2.6
105.05312	0.6
107.05065	1.8
109.02213	1.0
109.02965	20.4
110.03301	1.0
116.92868	0.7
121.02962	3.8
122.03783	1.7
123.04535	15.3
124.04813	0.8
125.02462	100.0
126.02792	4.1
129.50215	0.6
133.02971	5.3
135.04550	2.7
137.02464	19.8
139.04024	3.5
143.05074	0.7
145.03015	0.7
146.03732	1.2
149.02455	5.9
150.03212	1.1
151.04021	14.2
159.04543	2.8
160.05312	1.4
161.02464	28.3
161.06107	4.9
162.03142	3.2
163.00383	1.8
163.04016	3.8
164.01180	4.2
165.01971	6.2
167.03513	1.9
173.06126	1.2
175.04034	10.5
175.07648	1.8
176.01158	0.9
176.04393	1.1
177.01941	6.4
179.03537	4.2
185.06129	1.2
187.04034	7.7
188.04813	3.8
191.03444	0.7
193.05055	1.2
199.04060	1.1
200.04634	0.6
201.05531	1.9
202.06326	1.1
203.03474	1.0
203.07152	10.9
205.01414	2.1
205.05042	8.2
211.04092	1.0
212.04855	0.8
213.05667	1.4
215.03516	1.5
217.05011	2.2
221.08252	2.6
225.05605	1.1
227.03514	2.1
227.07169	1.9
228.04167	0.8
229.05098	3.7
230.05737	1.5
231.03052	1.6
243.02956	3.0
243.06609	0.8
245.04588	5.8
245.08170	12.6
245.10603	0.9
246.08557	0.7
247.06061	1.3
253.05058	0.9
254.10283	0.6
255.02957	8.5
256.03683	5.9
257.04584	2.1
269.04611	2.1
271.06192	1.2
273.04028	4.5
281.04474	4.0
283.02420	2.0
285.04050	2.0
287.05539	8.5
288.02960	0.8
288.06000	1.4
289.07172	68.8
290.07495	7.4
297.04092	1.4
297.07718	0.8
298.05060	0.9
299.05548	6.6
300.06052	0.7
329.06732	1.4
331.08011	1.0
339.08810	3.4
340.09424	0.7
381.09869	2.9
407.07703	62.9
408.08044	10.7
409.09128	0.8
425.08786	27.0
426.09106	4.5
451.10291	14.5
452.10733	2.8
467.09302	0.7
559.12164	1.3
577.13593	9.1
578.14160	2.0
579.75421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27308	0.4
57.03451	0.6
59.01377	5.5
61.90193	0.4
61.98833	100.0
71.65099	0.8
71.65487	0.5
72.99319	0.8
75.00879	9.3
83.58194	0.5
84.04182	0.4
88.98825	0.8
96.92702	0.4
101.66388	0.4
161.78003	0.4
175.16714	0.4
239.90172	0.4
285.04187	0.7
400.25656	0.8
431.10007	0.8
501.32242	1.6
516.30420	1.1
576.32556	3.7
577.33807	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	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.4
61.63634	0.2
61.98829	100.0
62.98539	0.2
68.69013	0.2
71.01414	0.2
71.11156	0.3
73.40925	0.1
79.02383	0.1
79.95742	0.3
80.96529	1.4
91.74525	0.1
94.98122	0.2
114.71039	0.2
137.59180	0.2
148.57735	0.1
225.00833	0.3
249.36438	0.2
277.21768	0.3
278.22278	0.2
279.22549	0.2
280.22592	0.2
283.26907	0.2
415.60239	0.2
577.26849	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	576.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	32.7
60.01722	0.6
61.98829	2.4
64.95558	0.2
69.40615	2.1
78.95909	29.3
83.05027	0.2
96.96975	0.6
105.05724	0.2
122.98553	0.5
123.04629	0.3
134.98509	0.3
152.99600	4.3
168.04326	4.9
224.06935	10.7
225.07109	0.5
233.22752	0.6
242.07993	2.8
259.20642	0.4
275.20203	0.7
277.21710	100.0
278.22052	12.6
278.25223	0.2
330.70041	0.2
465.99609	0.2
502.29367	90.0
503.29709	16.4
517.25739	0.3
577.34613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00345	0.1
57.57972	0.1
59.01373	2.0
61.98829	100.0
62.98528	0.2
71.01391	0.1
72.99306	0.3
73.02953	0.2
75.00890	0.3
78.47056	0.1
95.23141	0.1
96.59048	0.1
97.86960	0.1
188.38969	0.1
214.36771	0.1
223.64763	0.1
283.02347	0.2
301.17996	0.2
332.45764	0.1
339.93378	0.1
361.20242	0.2
376.24106	0.1
431.09946	0.1
469.29660	0.1
486.29263	0.1
487.30850	0.7
513.28943	0.2
514.28937	0.2
515.29205	0.2
516.29504	1.3
516.36194	0.2
517.31909	0.9
545.27179	0.1
576.32562	0.9
577.15106	0.2
577.33856	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	575.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	20.3
60.28058	0.5
61.98831	5.2
71.01386	3.8
71.59310	0.8
73.02938	0.9
78.95924	1.0
82.33089	0.7
85.02950	0.5
89.02449	2.5
101.02441	2.9
113.02447	2.1
119.03503	0.8
125.02440	1.0
131.25304	0.5
207.77444	0.6
235.08205	1.7
253.09270	14.7
264.27463	0.5
279.23279	100.0
280.23599	13.6
441.06815	0.6
448.61185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.6
59.01383	7.2
60.01682	0.2
61.68392	0.2
61.98833	100.0
65.89945	0.2
69.38461	0.2
71.01382	0.3
71.05015	0.2
72.99317	0.3
73.02949	0.4
75.00896	0.3
78.95919	0.3
82.69564	0.2
83.05032	0.4
85.02985	0.3
88.98829	0.3
89.02487	0.6
96.96036	0.2
101.02457	0.3
104.07401	0.2
105.09297	0.2
125.02459	0.2
135.79660	0.2
184.88512	0.2
263.09851	0.2
268.19110	0.2
283.02411	0.5
285.03995	0.4
289.07114	0.2
301.18195	0.6
327.19742	0.4
385.23694	0.4
387.21600	0.4
419.29532	0.4
421.15762	0.2
431.10004	0.3
437.30792	0.5
445.25708	0.3
451.28482	0.3
455.31787	0.6
469.29480	0.4
473.32919	0.8
499.30731	0.4
516.30188	0.9
517.31683	5.1
559.32727	0.4
576.32568	2.6
577.33868	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	575.3225
Annotation	Cerberin
Peak:m/z	Relative Intensity
57.00355	0.8
57.03436	2.5
59.01099	1.7
59.01375	26.8
60.58505	1.1
61.98826	55.1
63.60682	0.8
70.16325	3.3
71.01379	1.6
72.99306	3.6
73.02955	3.2
75.00864	3.4
78.95908	1.5
85.02976	1.0
87.00877	10.0
87.01968	1.1
88.00391	2.4
89.02438	1.0
95.86211	0.8
125.02385	1.1
152.99622	1.1
305.13828	1.1
311.75330	0.9
411.29044	1.4
413.26831	1.3
439.28598	2.2
446.21527	0.9
471.31244	6.1
472.31119	1.1
485.28973	1.3
503.33643	3.0
513.28693	3.9
515.30048	100.0
516.30389	22.7
521.41974	1.0
575.32056	24.7
576.32220	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	575.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08559	0.4
57.03447	0.7
59.01376	15.1
60.99298	0.8
61.98830	46.2
64.38995	0.4
69.03412	0.5
69.33362	2.7
69.33785	1.5
71.01370	0.6
72.99304	3.5
73.02953	1.6
78.95918	0.6
85.02932	0.5
87.00875	3.9
88.00404	1.3
88.98808	0.7
89.02494	0.5
98.20603	0.8
98.41281	0.5
103.06631	0.4
357.27850	0.9
369.28018	0.8
377.28412	0.7
383.25803	0.8
385.23807	1.2
387.21945	0.9
395.29770	3.3
396.30164	0.5
399.25552	0.9
411.29202	1.2
413.30637	1.3
419.11481	0.5
421.27719	1.0
423.28961	0.9
439.28522	9.6
440.28690	2.0
441.29996	1.3
445.26044	1.2
453.30215	1.5
457.29614	11.2
458.29968	2.4
471.31644	0.5
485.29202	0.5
499.30640	3.9
500.30841	0.6
515.30029	100.0
516.30341	21.9
517.31683	5.6
518.32141	1.3
575.36322	44.9
576.36670	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	575.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05712	0.5
52.78465	0.5
57.03442	8.7
59.01376	16.6
61.98827	43.9
63.02400	1.3
65.00312	4.9
69.03439	0.8
70.66993	1.2
70.67329	0.7
71.01373	2.5
71.05023	0.8
73.02937	2.5
75.00849	1.2
78.95893	1.7
81.03458	5.0
83.01387	7.2
83.05013	1.1
83.06707	0.5
85.02953	1.2
87.00883	0.8
88.98777	1.8
89.02458	1.9
92.28320	0.6
93.03465	6.7
95.01408	1.1
95.05068	0.8
97.02948	0.7
99.04571	0.7
101.01127	0.6
101.02451	2.5
107.01402	5.5
107.05058	1.3
107.40184	0.5
109.02956	2.8
111.00935	0.7
113.02441	1.0
117.03482	0.8
119.05043	2.0
121.02959	1.9
123.00858	0.6
123.04523	3.0
124.01686	3.1
124.04942	0.6
125.02457	60.3
126.02789	2.2
131.03545	0.6
131.05061	1.3
133.02962	2.9
137.02464	2.8
139.03986	2.4
145.02960	3.3
145.06583	1.0
147.04520	1.6
149.02502	3.0
151.00374	16.5
152.01167	4.4
152.99562	0.7
153.01970	6.1
156.05811	0.6
157.06505	0.7
158.03729	1.5
159.04512	1.5
161.02403	1.1
161.04675	0.6
161.06010	1.1
163.03946	1.1
165.01939	2.4
167.03522	1.0
168.22948	0.6
169.01434	1.5
169.06653	0.6
171.04575	1.0
171.10158	0.9
172.05290	5.0
173.04640	1.1
173.06065	10.9
175.00345	2.1
175.03990	2.7
177.01994	0.6
177.05571	5.4
178.99876	14.2
179.10776	1.9
180.00137	0.9
181.01488	1.3
185.06096	0.6
187.07646	1.1
189.05618	0.6
197.06084	0.8
199.04010	0.8
199.07646	2.1
199.95872	0.6
200.04768	1.3
201.05586	5.1
203.03471	0.9
205.12256	1.3
213.05496	0.8
215.07126	12.5
216.07445	1.2
219.06705	1.0
241.05031	2.1
243.06587	9.2
244.06999	0.8
255.06503	0.9
259.06088	100.0
260.06403	8.9
269.04517	2.2
271.06137	0.7
273.07620	1.1
283.06097	14.0
284.06403	1.4
285.04172	0.7
287.05600	87.8
288.05951	6.8
289.07370	0.7
301.07202	7.7
311.05615	2.1
313.07211	1.9
327.19965	0.6
329.06680	1.1
353.23157	1.2
387.21710	0.9
413.27249	0.6
453.30020	2.0
467.27985	1.3
469.17410	0.8
471.31149	0.9
473.29050	0.8
503.33743	1.1
507.05801	0.6
515.30225	13.4
516.30450	1.9
529.21057	1.0
547.21753	23.6
548.22095	3.9
574.31183	0.8
575.21545	7.7
575.32251	28.8
576.21881	2.1
576.32953	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1199
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
57.03432	1.8
59.01374	33.3
60.01727	0.7
61.98827	59.1
65.15215	0.6
69.44385	3.5
69.44816	2.1
71.01395	5.9
71.04984	0.6
72.99327	0.9
73.02940	5.1
75.00849	0.8
78.95908	15.1
78.96374	0.9
83.01402	0.7
83.05025	1.2
85.02951	1.5
86.53716	0.7
87.00879	1.9
88.98779	0.7
89.02451	1.3
93.03475	0.8
96.76379	0.6
96.96965	1.5
97.06580	1.0
98.20623	1.3
99.04565	0.7
101.02468	1.7
107.72752	0.6
109.02940	1.1
111.92753	0.5
113.02451	1.1
121.02922	0.7
123.04527	0.7
125.02465	2.0
128.96190	0.6
131.03537	1.1
135.04520	1.0
137.02530	0.9
140.09930	0.6
145.02985	0.9
152.99606	8.2
161.02393	1.5
164.01126	1.0
171.10320	0.9
175.04062	0.7
179.99675	0.6
183.13899	0.8
187.04036	1.1
203.03523	1.2
209.11842	6.5
211.13437	7.7
215.03456	2.3
216.04224	1.2
217.05032	1.3
240.51227	0.6
243.03000	1.8
244.03796	0.9
245.04396	1.3
255.02841	0.8
257.00861	1.0
259.06030	2.3
285.04059	1.0
287.05576	12.9
288.06226	2.7
289.07214	1.2
315.05530	1.1
331.22650	1.4
347.12759	3.0
351.26926	0.7
357.07785	1.0
363.12347	4.1
365.14188	0.7
371.05487	1.2
381.13193	1.1
383.24554	1.6
385.23605	0.9
387.04770	0.9
395.26129	1.5
397.07166	1.3
398.08032	0.7
399.04886	0.8
413.06873	1.4
413.26865	4.8
414.07578	1.4
415.08304	1.1
417.09778	2.2
427.08359	1.0
435.28973	1.5
441.09952	1.3
442.06699	0.9
443.07260	1.4
443.31900	1.5
453.30167	4.7
457.09354	1.5
469.29745	1.4
470.29944	0.7
471.31308	3.0
473.29309	3.9
475.10352	2.6
485.08759	2.2
485.29330	1.8
486.09497	1.3
487.09937	1.1
489.11966	1.5
503.09274	4.0
503.33664	2.2
504.10428	1.0
513.32251	1.8
514.09393	0.9
515.30005	42.0
516.30316	6.9
529.11292	0.9
531.09198	2.6
531.33203	8.3
547.12329	0.8
557.11255	1.8
558.11420	1.0
574.31628	1.2
575.12000	100.0
575.32440	60.1
576.12299	22.4
576.32916	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.0
59.01378	7.8
61.98848	0.9
69.58154	4.1
71.01385	19.5
72.63422	0.6
73.02949	2.2
75.00906	1.4
75.05703	0.7
78.95922	1.3
81.03463	1.0
83.01398	2.1
85.02961	5.0
87.00904	1.0
88.98840	0.8
89.02437	2.5
93.03466	2.2
95.01385	0.8
97.02968	1.1
99.00883	1.2
99.04519	3.9
101.02466	5.0
107.11842	0.7
109.02991	4.0
111.00931	0.8
113.02438	3.8
115.00386	9.1
119.03468	1.2
121.02972	100.0
122.03287	4.0
123.04547	4.1
125.02459	25.2
133.02884	0.9
135.04587	1.1
137.02411	3.4
145.02892	1.0
149.02499	1.2
151.04013	5.6
155.10854	0.8
161.02489	3.9
161.04607	1.8
162.03123	0.9
163.00392	3.1
164.01193	1.0
165.01944	2.7
173.04553	1.0
175.04022	4.1
176.01208	1.1
177.01935	2.3
177.04019	1.1
191.05626	44.0
192.06017	2.3
199.04031	1.0
203.07175	1.3
205.05200	0.8
217.05095	1.6
229.05144	1.0
237.04027	13.5
238.04465	0.7
241.05005	0.8
243.02968	2.3
245.04480	0.8
245.08112	1.6
255.03224	0.9
256.03592	0.8
257.04739	0.9
261.04224	0.8
269.10358	0.9
277.09222	1.2
285.04053	8.5
287.05548	2.7
289.07166	6.5
297.04105	1.0
307.06198	1.1
327.05344	0.8
337.09302	9.1
338.09708	1.2
388.48300	0.8
407.07755	2.0
408.12784	0.8
413.14520	3.2
423.07175	3.7
431.15579	11.3
432.15616	1.0
435.07297	1.0
449.08688	5.5
450.09088	1.5
452.07358	1.3
539.09717	1.3
575.12146	6.7
575.20392	3.1
576.11865	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.12
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.3
59.01374	8.2
61.98832	5.6
69.76215	5.6
70.40137	0.9
71.01368	3.8
75.00850	1.8
78.20190	1.1
81.03435	2.7
83.01391	8.7
85.02966	2.3
89.02458	2.0
93.03443	3.3
95.01385	4.2
95.05026	3.0
96.96025	1.8
97.02979	5.3
99.00906	6.2
101.02462	1.7
105.23131	1.0
107.05031	1.5
108.02150	2.5
109.02963	28.1
110.03258	1.3
113.02426	1.4
119.03521	1.2
120.02280	1.0
121.02964	16.9
122.03719	3.1
123.00905	1.7
123.04543	17.3
124.04894	1.1
125.02460	79.1
126.02763	2.8
131.05000	1.1
132.02147	1.8
133.02934	3.8
133.31317	0.9
134.03737	1.5
135.00868	2.9
135.03008	1.7
135.04524	2.8
136.01648	1.3
137.02472	14.6
139.04033	2.8
145.02985	4.7
145.06555	1.2
146.03688	1.6
147.00897	6.2
147.04524	5.7
148.01610	1.3
149.00664	7.4
149.02470	13.2
149.06099	1.0
150.03162	3.3
151.00334	2.6
151.04050	13.1
153.01894	1.0
155.04906	1.0
159.03017	1.7
159.04517	3.5
160.01590	4.6
160.05286	1.6
161.02464	22.4
161.06052	4.1
162.03145	3.5
163.00389	31.4
163.03992	3.4
164.01170	14.8
165.01945	19.5
165.05464	3.1
166.02669	4.4
167.03491	2.1
170.03708	1.1
171.04478	3.7
173.02460	2.2
173.06052	3.1
174.03207	3.8
175.02525	1.3
175.04007	20.4
175.07590	1.7
176.01166	7.3
177.00476	1.3
177.01939	16.0
177.03598	1.1
177.04041	0.8
177.05501	1.6
178.02330	1.1
179.03517	7.1
180.04021	1.2
181.05048	2.9
183.04456	1.2
185.06004	4.3
187.04031	7.6
188.04755	4.5
189.01915	1.9
189.05539	3.6
190.02747	2.1
191.03450	1.6
192.99716	4.7
193.04991	1.8
195.04489	1.9
195.06493	1.8
197.06032	2.0
198.03143	2.0
199.03995	8.5
199.07500	1.5
200.04466	1.1
201.01968	5.7
201.05515	3.8
202.02449	1.3
202.06171	1.9
202.99803	2.0
203.03438	5.8
203.07159	10.1
204.00493	1.4
204.04167	1.2
205.01331	3.1
205.05069	9.0
211.03947	3.1
212.04781	2.5
213.05580	8.2
215.03484	3.6
215.06996	1.5
216.04135	1.3
217.01457	1.4
217.05052	13.3
218.05522	1.7
219.06618	1.5
221.08084	2.0
225.05475	1.7
227.03487	2.5
227.07149	1.9
228.04126	1.5
229.05028	5.0
230.05649	2.1
231.02956	1.4
237.05479	1.9
239.03651	1.6
240.04211	2.9
241.05029	8.4
242.02109	2.1
243.02946	8.4
243.06654	2.4
244.03532	2.4
245.04427	4.6
245.08208	11.9
247.05988	2.2
253.05052	1.4
255.02931	8.0
255.06595	1.7
256.03784	6.5
257.04550	8.5
258.04987	1.5
259.06100	1.3
265.04941	1.9
267.02982	2.7
269.04449	3.6
271.06216	2.2
279.02875	1.1
280.03574	1.0
281.04504	3.1
282.01627	1.2
282.05011	2.0
283.02469	2.8
283.05997	3.5
284.03040	1.7
285.04037	100.0
286.04431	9.7
287.02374	1.1
287.05566	12.3
288.05832	1.3
289.07175	70.5
290.07492	8.0
297.03937	3.6
301.03622	1.5
301.07196	2.8
301.10684	1.3
307.06030	13.1
308.06439	1.3
309.04187	5.0
313.07431	1.8
316.09409	1.2
319.05981	2.1
320.06796	1.8
325.03497	1.3
326.04257	1.6
327.05115	11.3
331.11893	2.8
337.09351	2.3
347.05490	1.4
363.08389	1.7
375.05246	1.8
387.04980	4.0
388.05838	2.9
389.06299	2.6
401.12344	7.0
407.07703	17.8
408.08093	3.8
409.09225	2.2
415.04269	1.4
423.07150	8.2
434.06305	2.4
435.07214	3.1
437.08691	1.7
447.07452	6.0
448.06873	1.3
449.08777	57.0
450.09122	11.1
452.07422	16.4
453.08102	7.9
471.10846	3.9
478.07324	1.1
513.12518	2.2
514.14490	1.2
515.24225	1.3
531.12073	1.5
539.09747	23.4
540.09869	4.6
557.11224	6.1
558.12274	1.1
575.11981	73.2
576.12097	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	575.1196
Annotation	Robinetinidol-(2beta->7,4beta->8)-catechin
Peak:m/z	Relative Intensity
50.33016	0.8
51.78519	0.9
57.03442	9.4
59.01368	1.1
68.42095	1.0
69.69595	5.8
69.69941	0.8
72.02863	0.9
81.03443	3.2
83.01391	5.9
84.41634	0.9
85.02946	1.1
93.03458	3.5
95.01375	2.2
95.05035	3.4
97.02949	4.0
98.19906	2.0
99.04493	1.6
99.52590	0.9
101.02445	1.0
108.02175	1.9
109.02225	1.4
109.02962	28.9
109.27826	0.9
116.19884	1.0
117.03440	1.1
119.01382	1.1
121.02963	15.7
122.03713	2.0
123.04534	15.8
125.02459	80.0
126.02776	2.7
133.02933	3.7
135.00865	2.1
135.04527	2.7
137.02464	19.3
139.04042	4.2
143.05029	1.5
145.02916	2.0
146.03703	1.4
147.00923	5.8
147.04523	4.0
148.01656	1.3
149.02435	9.7
150.03134	2.5
151.04039	8.6
156.17989	0.9
159.04559	6.1
160.01636	3.7
160.05197	1.3
161.02451	18.7
161.04695	0.8
161.06020	4.7
162.03189	3.1
163.00385	31.9
163.04007	3.0
164.01173	14.4
165.01942	15.7
166.44466	0.9
167.03510	1.2
171.04485	3.2
173.02473	1.4
173.06090	2.2
174.03204	3.8
175.04002	19.4
175.07629	1.2
176.01154	8.3
176.04311	1.7
177.01939	15.5
177.05574	1.6
179.03551	5.7
183.04558	1.2
185.06055	3.9
187.04053	7.2
188.04710	3.5
189.01927	1.8
189.05588	4.5
190.02690	2.2
191.03374	1.7
195.04425	1.7
197.06099	1.5
198.03212	1.4
199.03972	6.7
200.04594	1.3
201.01915	6.2
201.05511	3.7
202.06329	1.6
202.99843	1.6
203.03523	4.4
203.07097	11.1
204.00652	1.5
205.01414	3.0
205.05038	8.1
211.04037	2.4
212.04843	2.0
213.05597	6.4
214.02672	2.1
214.05772	1.2
215.03488	6.2
217.01451	2.6
217.05023	14.0
219.06566	1.8
221.08270	1.4
223.04070	1.0
224.04681	1.4
225.05573	2.6
226.02670	1.5
227.03452	2.4
227.07193	2.3
228.04005	1.4
229.04953	4.2
230.05644	1.7
231.02982	1.7
239.03477	1.9
239.07198	1.4
240.04227	2.1
241.05049	10.6
242.02205	1.8
243.02980	6.1
243.06581	2.6
245.04475	3.2
245.08220	14.2
246.08476	2.1
247.06064	2.4
253.04962	2.4
255.02876	6.0
255.05548	0.8
255.06433	0.8
256.03766	6.4
257.04501	9.1
258.05005	1.7
264.04407	1.5
267.03030	2.0
268.03543	1.4
269.04459	3.1
271.05975	1.5
272.03220	1.0
273.03992	2.1
281.04501	4.0
283.02478	3.0
283.06091	4.0
284.03259	2.4
285.04034	100.0
286.04398	9.8
287.02252	1.8
287.05511	12.5
288.06036	1.7
289.07150	64.0
290.07596	6.5
295.05920	1.5
296.03128	1.0
297.03940	3.0
299.05527	1.8
301.03522	1.6
307.06131	13.4
308.06442	2.2
309.04086	5.6
313.07132	1.2
319.06110	1.7
320.06903	2.0
321.07758	1.1
327.05063	10.1
347.05478	1.2
361.06952	1.7
363.08557	1.2
387.04977	3.5
388.05762	2.9
407.07666	18.6
408.08008	3.3
409.09290	1.9
410.09558	1.0
415.04483	2.4
421.09360	1.4
423.07135	6.7
424.07468	1.0
434.06674	1.4
435.07022	3.6
436.07892	1.8
437.08426	1.6
447.07233	5.6
449.08740	55.1
450.09082	10.7
452.07437	16.3
453.08154	8.9
471.10681	3.5
513.11914	1.4
539.09808	20.4
540.09991	4.7
557.10883	6.6
575.11920	71.4
576.12250	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	575.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98340	1.1
57.03442	13.5
59.01371	10.9
61.98824	12.4
69.73470	4.8
69.73880	3.8
71.01389	6.9
71.87666	1.2
73.02950	2.2
75.00871	2.0
75.49823	1.1
78.95901	2.3
81.03460	4.0
83.01375	6.3
85.02956	3.9
85.06596	1.3
87.00890	1.4
88.98821	2.4
89.02445	5.1
93.03452	3.1
95.01414	2.8
95.05024	2.7
97.02946	6.3
98.19855	1.7
99.04522	3.9
101.02433	7.1
107.86108	1.2
109.02973	28.4
113.02437	4.5
117.03448	1.6
119.01400	1.7
119.03513	2.6
121.02972	15.6
123.04541	16.5
125.02460	88.6
126.02790	3.0
131.04985	1.5
133.02963	4.1
133.06551	1.3
135.00882	1.9
135.04547	3.3
137.01451	1.9
137.02460	24.6
138.02776	1.6
139.04015	3.6
145.02934	2.6
146.03729	1.5
147.00894	4.7
147.04518	4.2
149.00603	1.5
149.02444	12.9
149.06004	1.4
150.03223	1.5
151.03995	13.7
157.06589	1.8
157.42795	1.5
159.04482	3.0
160.01682	2.0
161.02473	26.3
161.04597	1.7
161.06073	4.1
162.03111	2.9
163.00386	30.4
163.04024	3.9
164.01190	10.7
165.01952	16.3
167.03499	2.3
171.04518	3.8
173.02362	1.4
173.05997	2.6
174.03197	4.0
175.04016	20.3
175.07692	1.3
176.01164	7.8
177.01955	14.3
177.05504	1.6
178.02586	1.6
179.03529	4.6
179.05545	1.7
182.03745	1.3
185.06114	1.6
187.04079	6.7
188.04697	2.2
189.01889	2.0
189.05582	4.3
190.02711	2.4
196.05305	1.7
197.06168	1.9
198.03201	2.5
199.04004	9.0
201.01961	4.4
201.05577	3.0
202.06082	1.5
203.03529	3.2
203.07132	8.7
204.00706	1.6
205.01459	3.7
205.05069	7.5
209.11743	3.9
211.03972	2.9
212.04836	2.5
213.05513	6.5
215.03508	4.8
217.05075	14.7
218.02069	1.4
221.08188	1.4
225.05539	1.7
227.03534	3.4
227.07074	2.0
229.05008	5.6
239.03535	2.1
240.04277	3.0
241.05084	9.1
242.02223	2.0
243.02982	9.2
243.06587	2.5
245.04485	4.4
245.08226	10.1
253.04936	2.1
254.05548	1.5
255.03047	7.2
256.03726	4.1
257.04572	7.7
258.05179	1.5
265.04916	1.7
267.02942	1.6
269.04572	3.4
273.04160	1.8
281.04547	5.5
282.01779	1.7
283.02649	2.3
283.06067	4.2
284.03122	1.7
285.04059	100.0
286.04422	9.8
287.05548	14.4
288.05728	1.7
289.07169	64.6
290.07529	6.7
295.05957	1.6
297.04053	5.4
307.06110	13.5
309.03922	5.2
319.06058	3.5
320.06683	1.8
321.07718	1.8
327.05020	8.3
347.05667	2.1
363.09085	1.8
381.09445	1.3
387.05142	4.1
388.05759	3.5
407.07709	23.1
408.08047	4.4
411.07196	7.1
413.14261	1.5
415.04330	2.1
423.07242	27.8
424.07584	4.0
431.15363	2.9
435.07065	4.7
436.07849	1.8
447.07053	6.8
448.08191	1.7
449.08737	53.8
450.09085	9.2
452.07434	18.7
453.08163	7.9
471.10901	2.1
513.11932	2.5
531.12372	1.5
539.09711	22.2
540.10144	5.7
557.11414	5.2
575.12018	70.8
575.20691	4.9
576.12274	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	573.3075
Annotation	(+)-Ganoderic acid K
Peak:m/z	Relative Intensity
59.01099	0.5
59.01377	6.7
61.98524	0.6
61.98830	12.2
67.35686	0.3
68.61572	0.3
69.43715	2.5
71.01372	1.3
72.69145	0.3
72.99309	18.9
73.02955	0.4
75.00880	0.4
78.95904	0.9
83.05024	0.3
85.02913	0.6
89.02449	0.9
93.60590	0.3
94.61822	0.3
98.20599	0.5
101.02416	0.5
101.99625	0.4
109.06584	0.4
113.02428	0.5
131.03488	0.5
149.04539	1.0
152.99571	0.5
191.05560	0.6
192.16089	0.3
215.66782	0.3
347.27368	0.4
380.58051	0.3
391.26450	2.3
392.26883	0.4
393.28284	0.4
437.26920	0.4
513.28528	100.0
514.28876	21.0
573.30713	3.2
574.31012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3074
Annotation	(+)-Ganoderic acid K
Peak:m/z	Relative Intensity
50.93195	0.7
54.02641	0.7
59.01386	10.1
61.98833	52.6
67.23241	0.7
70.21763	3.0
71.01375	1.1
72.99314	21.5
73.02980	0.8
78.95918	2.8
83.05030	1.6
85.02956	0.9
87.00894	3.6
87.04526	1.6
96.95985	0.6
97.75218	0.6
116.92832	0.9
152.99620	1.1
211.13361	1.4
293.02750	0.9
298.33759	0.8
333.46271	0.9
367.42953	0.9
397.76553	0.8
442.56165	0.7
469.29672	1.6
483.27451	1.3
513.28552	100.0
514.28888	20.7
538.15857	0.7
573.30530	15.6
574.31097	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	574.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.0
59.01377	1.3
61.98827	100.0
62.98536	0.2
62.99254	0.1
69.03427	0.0
71.01385	0.3
71.05006	0.0
72.99321	0.0
73.02944	0.2
75.00880	0.1
78.95911	0.3
83.05023	0.1
85.02959	0.1
89.02437	0.3
90.02789	0.0
96.96986	0.2
99.92610	0.1
101.02482	0.2
109.02990	0.0
113.02486	0.1
115.27164	0.0
115.92085	0.1
116.92870	0.3
125.02464	0.2
131.03503	0.2
132.03853	0.1
137.02492	0.1
149.04584	0.1
152.99615	0.2
161.02487	0.1
161.04659	0.0
191.05714	0.1
209.11891	0.1
211.04080	0.1
211.13319	0.1
271.53345	0.1
285.03995	0.1
287.05719	0.1
289.07272	0.1
382.23395	0.2
405.03421	0.0
435.29282	0.0
453.30298	0.1
470.30081	0.1
471.31277	0.2
483.27625	0.1
485.09024	0.0
485.29791	0.1
503.33981	0.1
514.27490	0.2
515.29932	0.6
531.32941	0.1
574.30914	0.2
575.12134	0.6
575.19501	0.1
575.32446	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.0
59.01353	5.5
61.98837	5.3
69.83447	0.5
71.01389	4.8
72.99332	0.6
73.02957	1.3
75.00877	1.4
76.97001	0.5
83.01389	1.8
85.02964	4.1
87.00872	0.8
88.98816	4.3
89.02444	2.0
93.03461	1.3
95.01394	0.8
96.96030	0.7
97.02927	0.8
98.19850	0.9
99.00880	1.3
101.02473	2.4
107.01398	0.8
108.02213	0.7
109.02962	3.0
111.00929	0.6
113.02450	1.9
114.02925	0.4
115.00362	0.9
116.92858	0.7
117.01991	0.5
117.03445	1.1
119.03542	0.5
119.05048	1.1
121.02960	2.0
123.04578	2.1
125.01627	0.8
125.02468	11.4
129.01917	0.8
132.02182	8.4
133.01453	0.4
133.02982	5.7
134.03766	12.4
135.00894	0.4
135.03035	0.7
135.04585	3.0
137.02461	4.5
139.00439	0.4
139.04034	0.7
145.02968	1.3
147.03062	0.6
147.04524	1.0
149.00681	100.0
149.06107	1.7
150.01022	5.2
150.03229	1.3
151.00389	3.1
151.04012	1.1
153.01920	0.9
159.04482	0.4
159.41682	0.4
160.01678	39.3
161.02470	16.8
161.04514	0.7
161.06059	1.0
162.02925	0.9
163.00389	2.7
163.04004	1.2
164.01108	1.6
165.01962	2.6
165.05550	1.3
173.02357	0.5
174.03378	0.5
175.04024	46.6
176.04346	3.3
177.01965	2.0
177.04118	0.8
177.05511	0.8
178.02702	1.0
178.99835	1.7
179.03525	3.5
187.03952	1.4
189.05479	0.7
191.01941	0.7
191.05588	0.7
191.07175	0.7
192.99657	59.4
193.05072	10.1
193.99989	3.3
194.05434	0.5
195.06657	0.7
196.23291	0.5
199.03990	1.1
201.01991	1.1
202.99821	0.5
203.03531	0.7
203.07162	1.1
205.05096	0.8
207.01242	2.8
213.05531	0.7
215.03482	1.2
217.05080	1.8
221.04517	1.4
227.03545	1.0
229.05092	0.9
229.78990	0.5
236.98553	0.5
240.02350	0.9
241.05046	1.3
242.02243	0.5
243.03012	2.4
244.03732	0.5
245.04462	1.0
245.08244	0.8
247.06131	0.8
253.05104	0.6
255.03014	1.2
256.03714	1.0
257.04541	1.1
267.01025	0.7
268.01978	1.8
269.04651	0.7
271.02512	1.8
280.03680	0.7
281.04666	1.0
283.04343	8.6
284.04977	0.5
285.04047	8.9
286.04431	1.3
287.05606	2.4
289.07169	5.6
294.01660	1.4
295.02390	1.7
296.03036	1.0
297.03925	0.9
299.07559	0.6
301.03342	0.5
307.06183	0.8
311.01913	8.0
312.02216	0.8
323.07703	13.7
324.02740	0.9
324.08246	1.3
325.05551	2.4
327.05020	1.0
337.09293	33.7
338.09570	3.6
355.04929	3.0
367.08365	0.6
375.96686	0.5
385.09506	0.7
394.07001	1.0
407.07904	3.1
423.07343	1.8
428.07462	1.0
449.08743	5.6
450.08920	1.1
452.07373	0.9
459.12991	0.5
471.09723	1.5
473.17307	0.5
487.10818	1.8
488.11285	0.5
503.43439	0.5
531.09564	26.6
532.09985	5.4
539.09863	1.5
575.13800	19.6
575.23419	3.3
575.32013	0.7
576.13873	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.162
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.6
58.18807	0.7
59.01365	3.0
61.98820	2.5
66.37526	0.7
69.03442	1.0
69.89804	4.5
71.01378	2.7
72.21186	0.7
73.02916	0.8
75.00869	0.9
81.03455	2.4
83.01389	3.3
85.02969	1.6
89.02431	1.2
90.30199	0.8
93.03455	3.1
95.01363	0.9
95.05051	3.9
97.02979	6.2
98.19817	0.8
101.02444	0.8
108.02165	1.3
109.02966	24.8
110.03269	0.8
113.02492	1.2
113.03506	0.7
121.02959	3.2
123.03728	1.4
123.04543	20.0
125.02460	19.1
125.03226	0.5
135.04532	3.4
137.02449	10.5
138.03329	0.9
139.03987	5.7
140.73227	0.7
145.02953	1.0
146.03746	1.2
149.02475	5.1
150.03163	1.1
151.04008	10.0
159.04483	2.1
160.05278	1.6
161.02403	1.6
161.06058	4.6
162.03223	1.3
163.04062	1.6
164.01166	3.4
165.01923	4.6
165.05582	1.5
166.02612	0.9
167.03468	2.3
173.04565	1.7
173.06009	0.8
174.03191	1.0
175.04004	2.5
175.07701	1.8
179.03519	7.0
179.05891	0.8
185.06004	1.3
187.04042	5.0
188.04805	3.9
189.05437	1.0
201.05518	1.1
202.06355	1.7
203.03616	0.9
203.07127	12.6
204.07675	1.0
205.05058	6.4
212.04532	0.8
217.08783	0.8
221.08192	4.1
227.07094	2.0
230.05879	1.4
245.08170	16.1
246.08415	2.4
247.06050	1.2
289.07169	100.0
290.07501	11.5
316.94785	0.8
549.82440	0.9
555.16669	1.0
573.18445	4.7
574.17798	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1042
Annotation	Luteoskyrin
Peak:m/z	Relative Intensity
50.16526	0.5
57.03452	0.9
59.01376	2.8
61.98833	19.6
65.03963	0.6
69.03472	1.9
71.01385	2.1
71.65096	1.0
72.99337	0.8
73.02952	1.1
75.00900	0.7
78.95935	0.6
81.03477	0.8
83.01390	12.9
84.01773	0.7
85.02970	1.0
88.98819	1.6
89.02457	1.0
93.03462	5.0
95.01369	0.8
96.96020	1.7
96.96983	1.0
97.02960	1.1
99.00874	0.6
99.04524	0.6
101.02458	1.1
107.05051	1.0
109.02964	10.1
110.28297	0.6
115.05594	0.5
116.92843	1.1
117.03442	0.9
119.05064	1.6
121.02963	2.0
123.04552	2.0
125.02462	5.7
130.04172	0.6
133.02985	2.0
135.04562	2.2
137.02463	76.6
138.02760	2.9
139.04042	0.8
143.05040	2.7
145.02986	3.8
145.06630	0.6
146.03748	1.8
147.04533	6.1
148.07693	2.0
149.02470	1.9
149.75665	0.6
150.03238	0.7
151.04065	3.8
155.05072	0.6
157.06546	0.7
159.04529	2.7
161.02460	9.5
162.03230	3.5
163.00348	1.5
163.04015	6.7
164.01225	0.9
165.01939	5.3
165.05611	1.4
166.02139	0.7
167.03502	1.5
171.04530	3.7
172.05067	0.5
173.02444	6.5
173.04654	1.1
174.03207	2.2
175.04036	13.0
176.04393	1.0
177.01921	1.6
177.04028	1.0
179.03516	6.1
179.05063	0.7
179.05605	0.7
183.04561	0.8
185.02472	0.8
185.06050	0.6
186.03279	0.7
187.04010	6.2
188.04533	0.9
189.01921	4.3
189.05577	5.5
190.02731	1.0
191.03525	5.5
191.05273	0.8
193.92049	0.6
198.03139	1.4
199.04005	10.2
201.01939	13.8
201.05595	1.9
202.02458	1.4
203.03497	4.3
204.04086	0.9
205.05099	1.9
207.02995	2.1
211.04033	1.7
212.04713	0.6
213.02063	0.6
213.05600	1.6
214.02693	1.3
215.03494	8.5
216.03935	0.8
217.01468	0.8
217.05057	2.1
225.05624	0.8
227.03508	4.1
228.04164	1.4
229.01382	1.5
229.05038	2.3
230.02071	0.9
231.02917	4.1
233.04601	2.2
237.05489	0.6
239.03427	1.0
240.04291	1.1
241.05077	2.1
242.02136	1.8
243.02940	8.3
244.03485	1.2
245.04474	3.3
253.04997	1.1
255.02980	2.9
256.03757	1.7
257.04462	1.5
263.07132	0.8
265.04849	0.8
267.02914	0.7
269.04520	0.9
270.02112	0.6
271.02411	1.1
274.06210	0.6
275.07193	0.8
277.04993	1.2
278.05829	1.3
279.03442	0.6
279.06451	0.9
283.02499	1.8
283.06085	0.9
284.03284	1.5
285.03986	5.8
291.06537	1.3
293.12415	1.1
303.06781	1.0
305.04520	0.9
305.07996	0.7
306.05298	1.7
307.06079	0.6
309.04156	1.1
315.06711	0.9
317.08401	0.6
319.06079	2.3
320.06818	1.0
321.03738	0.6
321.07529	1.8
323.05444	0.8
331.05795	0.9
333.04050	0.9
345.07779	1.4
346.04709	1.3
347.05579	2.7
348.06223	1.3
349.03479	1.0
349.07153	2.4
350.04330	2.2
351.05121	0.7
361.07208	1.2
363.04901	1.2
365.06680	1.3
366.07376	0.7
371.05884	0.9
373.07428	0.8
379.08441	1.1
389.06778	1.5
391.08566	1.1
392.05289	3.8
393.05978	2.1
405.06033	2.7
407.07614	1.7
429.06619	0.8
435.07202	27.6
436.07535	3.7
447.07181	3.8
529.11145	0.9
555.09460	3.7
556.09399	0.6
573.10413	100.0
574.10706	23.1
574.18237	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
60.01712	0.2
61.98831	100.0
62.98536	0.3
66.26738	0.2
67.97468	0.2
68.30317	0.2
69.59223	0.3
69.59631	0.9
71.01381	1.3
72.99331	0.2
73.02947	0.8
75.00903	0.2
80.98660	0.2
83.01402	0.3
84.01670	0.2
85.02966	0.6
87.00898	0.9
89.02438	0.9
93.03492	0.3
96.96030	0.3
99.00880	0.2
101.02473	1.0
109.02970	0.2
113.02447	1.0
117.03484	11.6
118.03815	5.3
119.05048	2.4
120.05388	1.1
125.02477	0.5
128.30861	0.1
129.01952	0.2
129.93517	0.2
137.02486	0.3
141.07922	0.2
145.02974	46.2
146.03311	23.0
147.03624	0.8
161.02512	0.2
161.04439	0.2
163.04010	3.2
164.04375	1.8
175.43359	0.1
179.05621	0.3
181.07309	0.2
217.04950	0.2
257.66873	0.2
307.08224	0.9
308.08585	1.1
321.04758	0.2
383.11935	0.3
384.12573	0.3
512.14954	2.1
513.15094	0.2
530.15930	2.6
531.15881	0.4
572.16956	6.0
572.24982	0.7
573.09662	0.2
573.17426	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	572.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01411	0.2
57.03431	0.3
59.01376	2.4
61.98828	100.0
62.98560	0.3
67.85920	0.2
71.01377	0.3
71.63177	0.2
72.99318	1.2
78.95922	0.8
89.01909	0.2
96.96025	0.4
102.92551	0.2
116.92848	0.4
127.83645	0.3
135.06137	0.2
145.61781	0.2
152.99606	0.3
160.83270	0.2
161.11324	0.2
209.11955	0.4
469.29590	0.3
499.30771	0.4
513.28387	2.0
572.12909	0.4
572.32788	0.3
573.30469	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	571.289
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.62699	0.3
60.21996	0.3
61.98819	0.5
70.78517	0.3
70.91228	0.7
70.91602	0.6
78.95905	60.5
86.12266	0.3
96.96970	13.6
111.83298	0.3
112.58401	0.3
134.98579	0.5
150.98055	0.8
152.99597	59.7
153.99921	1.4
161.04741	0.3
171.00667	0.6
223.00093	2.2
241.01172	30.1
242.01552	1.0
255.23273	69.8
256.23599	7.6
256.26291	0.4
259.02112	0.8
315.04877	8.7
316.05161	0.6
333.05841	0.4
391.22556	4.8
392.23053	0.5
446.26764	0.3
571.28900	100.0
572.29248	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	572.22
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17637	0.2
59.01373	3.2
60.01387	0.2
60.01713	0.4
61.98828	100.0
69.33051	2.4
71.01386	1.7
73.02952	0.8
75.00896	0.2
83.01410	0.6
85.02955	0.7
87.00884	0.7
89.02451	0.7
96.96029	0.8
101.02477	1.1
106.55988	0.2
111.00836	0.3
113.02425	0.8
117.03475	13.4
118.03811	5.7
119.05037	3.1
120.05344	1.3
125.02474	0.9
129.01909	0.2
137.02393	0.3
145.02965	51.1
146.03302	27.1
147.03484	1.3
163.04004	3.4
164.04329	1.9
168.00653	0.3
177.04059	0.3
179.05611	0.2
195.05096	0.3
266.57486	0.2
271.55441	0.2
307.08234	1.2
308.08472	1.2
341.10971	0.3
383.11954	0.3
384.11679	0.2
407.60135	0.3
426.08566	0.2
512.14996	2.2
513.14600	0.3
529.15662	0.3
530.15942	2.3
531.15680	0.6
572.16803	7.2
572.24731	0.5
573.17169	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	571.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57834	0.4
57.03443	1.1
59.01383	5.2
60.99278	0.5
61.98533	0.7
61.98827	10.3
73.02961	1.1
77.18334	0.4
78.95924	2.3
83.04979	0.5
89.56960	0.4
96.66349	0.5
96.96976	3.5
99.00867	0.5
99.92588	18.0
100.92597	1.4
100.93362	2.4
113.92658	0.7
115.92085	100.0
116.92094	6.0
116.92874	3.3
132.92415	1.0
146.04890	0.5
152.99644	0.8
204.14163	0.4
221.19139	3.6
257.36517	0.4
265.18118	2.5
283.19122	3.2
287.22266	6.7
301.20294	0.7
431.33151	0.5
439.33112	0.5
449.34470	0.5
465.33978	0.5
471.34680	3.6
493.33203	1.7
511.34299	10.3
512.34412	2.1
553.26544	0.7
555.24585	1.7
556.24927	1.0
571.27765	68.9
571.36591	18.0
571.43243	6.8
572.27942	23.4
572.36969	5.4
572.44299	0.8
585.25189	7.1
586.25153	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	570.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98827	100.0
62.98521	0.3
69.40410	0.3
69.40820	1.0
78.95940	0.1
83.63761	0.1
96.96978	0.2
98.20703	0.2
116.31268	0.1
190.04604	0.1
329.23779	0.1
398.80402	0.1
485.32874	0.4
487.34680	0.2
570.30481	2.6
570.38782	0.2
571.31299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.35
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89119	0.1
57.03442	0.1
59.01375	1.4
61.98829	100.0
62.98520	0.1
69.35360	0.2
69.35761	0.8
71.01383	0.6
73.02958	0.2
75.00903	0.1
77.27013	0.1
78.95924	0.3
83.01450	0.1
85.02976	0.3
86.61121	0.1
87.04521	2.7
88.04856	0.5
88.98811	0.2
89.02469	0.3
93.03502	0.1
101.02471	0.5
107.01432	0.1
109.02983	0.2
113.02425	0.1
114.04758	0.1
117.03475	0.1
119.05067	0.3
121.03029	0.1
123.04517	0.1
125.02469	0.4
131.03499	0.1
135.04520	0.1
137.02461	0.3
145.02989	0.6
149.02461	0.1
150.03212	0.1
151.00404	0.3
153.02011	0.1
155.10846	0.2
161.04633	0.1
163.00369	0.1
163.04068	0.3
165.05595	0.2
191.03560	0.1
199.09814	0.2
217.06635	0.7
227.03641	0.1
241.10928	0.1
241.57561	0.1
255.03033	0.1
271.06207	0.4
283.02444	0.1
284.03452	0.1
285.04205	0.2
287.05890	0.1
307.08243	0.1
327.47189	0.1
349.20111	0.1
349.24069	0.1
355.06699	0.1
361.15167	0.1
377.21780	0.2
378.22073	0.5
510.26062	0.4
510.36578	0.3
511.28668	0.1
571.27405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.1
59.01379	1.3
61.98831	100.0
62.35091	0.1
62.98553	0.2
63.99263	0.3
65.00320	0.1
70.99310	0.3
71.01389	0.7
72.99320	0.1
73.02962	0.3
75.00878	0.8
78.95927	0.2
83.01396	0.3
85.03004	0.3
87.00898	0.1
88.98840	0.4
89.02464	0.4
93.03484	0.3
93.17529	0.1
95.01416	0.1
96.96014	0.2
101.02454	0.4
107.01409	0.4
108.02210	0.3
109.02977	0.4
113.02461	0.3
116.92886	0.4
117.03504	0.2
119.05042	1.3
123.04559	0.3
125.02482	0.4
130.78448	0.1
135.04594	0.2
137.02501	0.4
137.09766	0.1
145.02989	0.9
146.03362	0.2
150.03383	0.1
151.00374	1.1
151.03972	0.1
152.01180	0.2
153.01933	0.1
155.10803	0.4
160.01743	0.2
161.02489	0.2
161.04578	0.2
161.06079	0.1
163.04048	0.4
164.01265	0.1
164.04501	0.1
165.05595	0.2
175.03966	0.2
177.02014	0.3
177.04086	0.1
199.09825	0.2
215.06902	0.1
227.03561	0.1
235.06361	0.1
255.03014	0.2
269.04639	0.1
271.06076	2.4
284.03220	0.1
285.04175	0.2
286.43124	0.1
289.07333	0.2
387.42230	0.1
507.22510	0.3
532.22723	0.3
535.25098	0.2
570.26984	0.7
571.24097	0.3
571.31256	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
57.03449	4.3
58.00608	1.1
59.01378	79.7
60.01718	1.4
61.98829	64.1
65.03960	0.8
68.99801	0.7
69.03457	1.2
69.50704	4.6
70.22421	0.7
71.01385	63.0
72.01723	1.4
72.99304	2.3
73.02947	19.5
75.00874	3.2
81.03461	1.6
83.01391	8.9
85.02954	30.1
87.00887	3.7
87.04528	0.9
88.98817	2.0
89.02456	6.8
91.01903	2.1
91.05444	0.8
93.03475	5.3
95.01392	5.0
95.05056	1.1
96.95992	0.8
97.02966	1.6
99.00883	9.4
101.02456	42.6
102.02776	1.4
107.01394	1.0
108.02180	2.5
109.02971	3.5
111.00878	0.8
113.02464	27.1
116.92868	1.0
117.03451	0.8
119.03548	1.2
119.05059	2.2
121.02960	6.9
122.03716	0.9
122.90289	0.7
123.00882	1.2
123.04490	2.4
124.01702	1.0
125.01788	0.8
125.02485	7.5
133.03008	1.0
135.00890	1.7
135.04533	2.8
137.02457	12.2
139.00342	0.9
143.03542	3.9
143.76976	0.9
143.83542	0.8
145.02956	3.1
149.00568	0.8
149.02454	0.9
149.99617	1.0
151.00356	2.1
151.03998	2.2
152.01134	2.9
153.01945	2.1
155.10770	2.0
159.02991	7.2
160.01680	0.9
161.02429	2.4
161.04573	53.7
162.04895	1.1
163.04002	1.1
164.01283	0.9
165.01933	1.3
165.05585	2.2
168.00620	2.7
169.01439	1.1
175.04013	1.6
177.04260	0.8
179.03453	3.4
181.07172	1.5
191.21323	0.8
199.09776	1.3
205.03537	2.5
243.06631	7.4
244.06958	3.6
245.07233	3.3
255.02841	0.8
269.04538	0.9
271.06033	2.0
281.48596	0.8
287.05664	1.3
289.07120	1.2
303.19662	2.7
311.20007	0.9
329.21216	6.6
330.21497	0.9
347.22205	7.9
348.22769	1.4
371.24481	1.8
471.30063	0.8
472.11322	1.3
491.26608	4.4
492.26639	1.7
509.27527	100.0
510.27927	17.6
551.12201	1.2
569.12305	2.2
569.25446	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	569.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20646	0.7
55.01873	2.3
57.03444	5.9
58.00601	2.4
59.01377	100.0
60.01712	1.1
61.98828	63.9
63.99259	0.9
65.00332	1.3
69.03460	1.4
69.53294	5.3
71.01382	55.8
71.05012	1.0
72.99312	5.6
73.02946	14.3
75.00884	3.2
78.95914	1.3
81.03481	1.1
82.42984	0.6
83.01399	7.2
85.02953	21.0
87.00871	5.0
87.04505	1.0
88.98814	3.8
89.02451	37.2
91.01919	2.7
93.03472	8.3
95.01395	4.4
95.05057	1.0
96.96000	4.7
97.02960	1.9
97.06622	0.8
98.19880	0.9
99.00877	7.9
99.04543	0.8
101.02455	44.9
101.06090	0.9
102.02801	1.3
107.01441	1.6
108.02193	2.5
109.02987	3.6
111.00935	1.1
111.04517	0.7
113.02467	25.7
114.02837	0.7
116.92868	6.5
117.03500	3.1
119.03523	18.0
119.05012	7.8
121.02960	3.8
122.03789	1.1
123.04568	2.7
124.01697	2.6
125.02459	21.4
126.02797	1.4
128.90201	0.7
129.01961	1.5
131.03540	2.7
133.02977	1.9
133.06662	1.1
134.03777	1.0
135.00929	1.4
135.04558	3.3
136.01750	0.8
136.04936	0.8
137.02458	21.3
137.03520	1.2
139.03986	1.0
143.03520	6.1
145.02957	8.5
146.03342	1.1
147.04556	0.8
149.02464	1.7
149.04572	1.9
149.99622	1.5
151.00410	3.7
151.04079	2.1
152.01198	4.8
153.01993	3.7
153.05556	0.7
155.10873	1.9
159.03032	4.3
159.04337	0.7
160.01711	0.8
161.02605	4.8
161.04582	39.5
161.06062	2.9
162.03267	1.5
162.04842	1.8
163.04039	7.2
165.01947	2.4
165.04210	0.8
165.05591	1.9
167.03503	0.9
168.00690	2.7
172.81766	0.8
173.04657	0.8
175.00520	0.7
175.02663	0.8
175.04065	2.7
176.43707	0.8
177.01970	2.3
177.05589	1.5
178.99852	4.8
179.03578	2.9
179.05624	19.5
181.05167	1.7
181.07231	2.1
187.04024	1.0
191.05655	1.7
192.04309	1.6
193.05112	1.2
195.01236	0.9
195.81456	0.8
201.05621	2.3
205.03433	1.5
205.05128	4.3
207.06686	3.1
221.04539	1.3
225.04114	1.9
235.06146	4.9
239.05646	1.6
243.03171	0.8
243.06671	1.8
244.75221	0.7
257.15479	1.6
259.06091	1.2
265.07138	7.7
266.07574	0.8
268.03796	2.0
269.04596	2.1
271.06113	2.7
273.18579	2.0
281.06781	1.2
285.04105	1.2
287.05588	1.8
287.16641	1.2
289.07245	1.7
299.20065	1.8
301.17963	1.2
303.19519	2.0
311.20392	1.0
317.21255	3.7
318.21774	1.0
325.09277	2.5
329.21262	4.5
330.21545	1.2
347.18185	1.6
347.22290	25.3
348.22607	2.3
371.24374	2.4
421.24249	1.0
431.24365	1.4
491.26324	1.5
506.23105	1.4
509.27463	38.0
510.27975	7.3
531.18311	1.2
533.30359	1.1
551.12097	3.1
551.20270	0.9
552.11890	1.1
569.13080	10.1
569.26917	10.2
570.13220	2.9
570.26282	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	569.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
57.03438	0.4
58.00595	0.2
59.01374	9.7
61.98827	100.0
62.98538	0.5
62.99246	0.2
63.37217	0.2
63.99255	0.7
65.00345	0.2
65.07944	0.2
69.03482	0.2
69.27575	1.7
71.01385	3.9
72.99316	0.7
73.02946	1.4
78.66349	0.2
78.95905	0.6
81.03445	0.2
83.01378	0.8
85.02961	1.7
87.00867	0.5
87.04517	65.4
88.04842	1.3
88.98818	1.2
89.02445	1.1
93.03458	0.4
95.01392	0.3
96.96001	0.4
97.02976	0.5
98.20697	0.3
99.00885	0.6
101.02454	2.7
107.04993	0.2
109.02970	0.3
113.02456	1.4
116.92844	0.3
117.03448	0.4
119.03547	0.3
119.05022	0.6
121.02931	0.4
123.04494	0.7
124.01608	0.3
125.02474	1.3
131.03511	3.2
134.03726	0.3
134.32216	0.2
135.04541	0.3
135.08188	0.2
137.02415	0.8
137.09702	0.7
139.03957	0.2
143.03458	0.3
145.02968	1.2
147.04529	0.2
149.04501	0.3
150.03256	0.2
151.00366	0.9
151.03943	0.3
152.01048	0.2
152.99596	0.4
153.01878	0.4
153.05612	0.8
153.09254	0.3
155.09605	0.2
155.10791	3.6
156.11101	0.6
157.11266	0.3
159.02931	0.2
160.01622	0.3
161.02400	0.5
161.04539	0.8
161.05777	0.2
163.03990	0.5
165.01895	0.3
168.00665	0.3
171.10152	0.3
175.03941	0.4
177.01910	0.3
178.99860	0.2
179.03479	0.3
191.05429	0.2
195.06674	0.3
197.00854	0.3
199.09799	1.2
200.10051	0.5
209.11803	0.3
211.07547	0.6
217.01447	0.2
227.03355	0.6
229.04962	0.3
241.10706	0.3
255.02904	1.3
269.04309	0.2
271.05872	0.7
273.20621	0.2
283.02280	0.5
284.03232	0.9
285.04028	1.3
287.05447	0.4
289.06998	0.3
289.16312	0.8
301.12857	0.2
347.02802	0.2
362.15057	0.3
363.15466	0.5
377.21786	7.9
378.22165	1.0
402.78284	0.2
421.20718	2.4
422.20636	0.5
439.21533	0.2
464.07687	0.3
509.25977	7.3
509.35260	0.6
510.26688	1.2
569.11670	0.4
569.29773	4.0
570.12299	0.2
570.28540	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11263	0.2
55.01866	0.4
57.03450	1.0
59.01378	12.4
60.99319	0.3
61.98830	100.0
62.98543	0.3
63.99243	0.4
65.00348	0.2
69.03474	0.4
69.33571	2.2
71.01385	5.3
71.05030	0.3
72.99315	0.9
73.02949	1.3
78.95911	1.6
81.03458	0.2
83.01395	1.1
85.02954	2.1
87.00875	0.4
87.04521	91.9
88.04868	1.8
88.98805	1.7
89.02460	1.4
92.44670	0.3
93.03461	0.7
95.01375	0.4
95.05042	0.2
96.96001	0.4
97.02948	0.5
98.19850	0.4
99.00886	0.7
99.04520	0.3
101.02448	3.5
107.01406	0.5
108.02231	0.3
109.02941	0.9
111.00858	0.2
113.02460	1.6
116.92870	0.5
117.03438	0.3
119.05026	0.8
121.02961	0.6
123.04520	0.8
124.01654	0.3
125.02501	1.6
131.03529	4.8
135.04536	0.6
135.08095	0.3
137.02477	1.4
137.09717	1.0
138.10051	0.3
140.12782	0.2
143.03481	0.6
145.02968	1.4
149.02414	0.3
151.00426	1.0
152.99620	1.5
153.01974	0.5
153.05554	0.6
155.10786	3.8
156.11081	0.8
160.01666	0.3
161.02386	0.4
161.04500	0.8
162.02873	0.3
163.03952	0.7
165.01936	0.4
165.05579	0.3
168.00664	0.4
171.10220	0.8
171.68375	0.2
175.03909	0.3
177.01889	0.4
179.03474	0.3
181.08733	0.4
187.03975	0.3
189.05562	0.3
199.09712	1.5
200.10030	0.7
209.11740	0.7
211.07600	0.6
217.01472	0.2
225.14861	0.5
227.03363	0.9
241.10739	0.5
255.02849	1.5
257.04434	0.2
265.07059	0.2
271.05994	0.8
283.02353	0.8
284.03381	1.5
284.05899	0.3
285.04068	1.4
287.05331	0.5
289.06900	0.4
289.16595	1.2
301.03360	0.3
302.03656	0.3
303.08820	0.3
307.17413	0.4
341.23129	0.8
361.14706	0.3
362.15100	0.3
363.15540	0.4
377.21796	12.4
378.22205	1.8
419.11240	0.4
421.20764	4.5
422.20752	0.9
439.21451	0.3
464.08167	0.6
508.35339	0.4
509.26007	9.8
509.35043	0.6
510.26044	1.9
533.23718	0.3
569.12122	0.4
569.28223	6.5
570.11829	0.6
570.28217	0.9
594.50696	0.3
595.38287	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.9
59.01377	20.2
61.98830	19.3
63.02401	0.7
64.84596	0.4
65.00327	4.4
68.99818	0.8
69.03469	2.6
69.62526	0.8
69.62933	3.1
71.01384	2.9
72.99313	1.4
73.02950	2.4
73.14944	0.5
81.03476	1.5
83.01392	5.1
83.04996	0.5
85.02969	1.4
88.31122	0.4
88.98824	1.4
89.02428	0.7
91.01923	0.4
93.03469	3.0
95.01405	3.1
97.02950	3.1
101.02462	2.2
104.46630	0.5
107.01403	8.6
107.04967	0.5
108.02211	1.3
109.02970	3.9
111.00874	0.5
113.02470	1.4
116.92865	0.6
117.03467	1.1
119.05052	2.0
121.02969	7.4
123.00906	7.8
123.04523	2.6
124.01679	23.9
125.02463	94.4
126.02833	2.8
133.02983	2.3
135.00945	0.8
135.04539	16.5
136.04898	0.7
137.02466	10.4
137.09735	0.5
139.04022	2.1
145.02969	3.1
147.04549	1.1
149.02467	6.7
149.99602	29.9
150.03192	0.6
151.00392	36.6
151.03978	2.2
152.00917	1.9
153.01952	11.5
154.02240	0.6
155.10808	0.6
159.04520	0.8
160.01657	0.6
161.02460	8.9
161.04568	1.2
161.06065	0.7
163.04019	1.6
165.01912	1.3
166.99802	0.5
167.03499	1.6
168.00658	57.9
169.01398	8.2
171.04520	0.7
174.03172	0.8
175.00365	2.5
175.03993	5.6
176.04390	0.5
177.01955	9.9
177.05484	0.6
178.02318	0.8
178.99889	7.6
179.03490	1.3
181.01443	5.9
181.08670	1.0
181.12340	0.4
188.04768	1.1
189.05586	2.1
191.03462	1.2
193.01485	1.1
195.03043	0.9
199.04008	2.6
199.09761	0.8
201.01971	0.5
213.05640	0.9
216.04184	0.6
217.05023	1.9
241.05078	2.3
243.06560	4.8
244.06927	1.5
245.04906	0.5
245.07367	0.9
256.03735	0.7
259.06085	1.4
269.04239	0.5
271.06210	3.1
275.05597	8.5
276.05951	0.8
281.06714	5.4
284.03363	0.6
285.04025	23.5
286.04343	2.0
287.05609	7.0
288.06006	0.6
289.07196	0.8
299.05585	3.5
303.05103	33.4
304.05463	3.9
309.03915	0.6
313.05582	0.8
327.05029	1.0
347.22229	0.9
371.24191	3.5
379.29272	0.5
443.09833	4.4
444.09930	1.1
445.07733	2.6
447.09326	3.6
460.11646	0.7
461.11807	1.7
469.74490	0.5
507.18564	1.3
509.26810	0.8
541.13251	1.2
551.11603	1.3
551.21582	0.5
569.13098	11.6
569.22253	100.0
570.13519	2.8
570.22577	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.9
59.01377	36.2
60.01692	0.8
61.98831	20.2
65.00322	5.1
67.01875	0.5
69.03457	3.1
71.01382	4.9
71.56668	0.6
71.57088	0.7
72.99309	3.6
73.02948	3.5
75.00861	1.2
81.03447	2.2
83.01408	3.3
83.05023	0.9
85.02976	2.7
87.00880	1.4
88.98807	2.0
89.02459	2.4
89.53121	0.5
93.03473	5.0
95.01397	3.4
95.05027	0.6
96.95997	2.1
96.96949	0.8
97.02949	4.5
99.00881	0.8
101.02472	3.2
107.00736	0.6
107.01404	7.1
107.04990	0.7
108.02153	1.7
109.02965	3.7
113.02429	2.1
116.92839	0.7
117.03448	0.9
119.03512	0.8
119.04998	2.2
121.02963	12.4
123.00894	10.4
123.04498	1.4
124.01682	26.5
125.02465	62.6
126.02821	3.0
132.02199	0.5
133.02939	2.5
134.03738	1.0
135.04541	23.9
136.01604	0.8
136.04817	1.3
137.01512	0.8
137.02464	12.2
139.04001	1.0
145.02899	2.3
147.04439	0.6
149.02420	2.1
149.05963	0.6
149.99605	43.8
151.00403	34.9
151.04004	1.4
151.99950	1.5
152.01033	0.8
153.01917	1.6
155.10780	1.2
159.04517	1.3
161.01132	0.8
161.02451	11.2
161.04472	1.1
163.00323	0.5
163.04012	1.2
165.01901	1.8
166.99872	0.9
167.03432	0.8
168.00656	64.1
169.01411	8.4
171.01527	0.5
173.02412	0.5
175.00256	1.0
175.03996	1.2
177.01955	3.2
177.05522	0.6
178.02271	0.5
178.99828	0.7
179.03445	1.8
181.12302	0.7
189.05632	0.6
191.03517	0.7
193.01321	1.5
197.15680	0.5
199.09692	0.9
205.01271	0.6
221.04372	0.6
227.55557	0.5
243.06610	6.0
255.03024	0.6
257.07877	0.6
270.05148	0.7
271.06021	2.3
275.05481	0.8
281.06683	7.5
285.03906	2.0
285.07565	2.7
287.05606	9.2
288.06091	1.2
289.07098	1.0
303.05011	2.4
313.05594	1.7
317.21069	0.6
347.22195	1.2
371.24454	5.8
405.11362	0.7
417.12070	0.8
443.09882	4.5
444.09940	0.7
459.11316	1.8
460.11670	6.9
461.11935	22.6
462.12247	2.1
507.18271	1.1
509.27325	1.8
569.12909	16.5
569.22192	100.0
570.13251	2.4
570.22607	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	569.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01993	0.2
57.03447	0.4
59.01378	3.9
61.98829	100.0
62.98534	0.6
63.99252	0.4
65.00329	0.5
65.03975	0.4
67.01891	0.3
69.03442	0.2
71.01380	2.2
71.05069	0.2
71.56505	0.4
73.02946	0.8
75.00882	0.3
75.88261	0.2
78.95937	0.5
83.01402	0.5
83.05040	0.2
85.02973	0.7
87.00877	0.2
87.04525	0.6
88.98823	0.9
89.02454	1.0
90.28788	0.2
91.01902	23.7
92.02235	0.7
93.03456	0.6
93.78824	0.2
96.96012	0.4
97.02995	0.3
99.00876	0.3
99.04469	0.2
101.02442	1.1
106.98717	0.2
107.01398	0.4
109.02982	1.9
113.02461	0.8
117.03473	0.2
119.03532	0.3
119.05031	0.7
121.02985	0.7
123.04536	0.5
124.01704	0.3
125.02462	1.1
131.03549	0.2
132.40965	0.2
135.00903	8.5
135.04543	0.9
136.01221	0.3
137.02441	0.9
137.09735	0.6
145.02998	1.1
149.04570	0.2
151.00383	1.0
151.04112	0.2
153.01953	5.4
155.10806	2.9
156.11142	0.5
161.02429	0.3
161.04543	0.5
163.04037	0.5
165.01965	0.3
165.12862	1.7
175.04004	0.3
177.01970	0.2
178.99873	32.2
180.00204	1.8
181.08560	0.3
181.12328	0.2
183.13930	2.7
197.00920	57.7
197.15404	0.4
198.01265	2.8
199.09731	1.0
200.10272	0.3
207.13905	0.2
209.11832	0.5
225.11562	0.2
227.12878	2.6
228.13319	0.2
241.10748	0.4
251.12828	0.3
255.02876	0.3
271.06052	0.8
285.04102	0.3
287.05597	0.5
289.07162	0.3
329.16071	0.6
361.14835	0.3
389.18069	0.7
405.06415	0.3
508.35449	0.9
509.35941	0.3
533.23682	0.4
569.18762	6.7
569.29230	3.3
570.19055	1.1
570.27423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14165	0.6
57.03440	4.3
59.01377	1.3
61.98827	4.4
63.02391	0.9
65.00324	15.9
69.03444	0.7
70.55811	1.7
71.01379	0.6
83.01392	7.2
93.03465	2.6
95.01397	1.1
97.02977	1.3
107.01398	20.6
109.02983	5.1
113.02448	1.1
113.82536	0.6
119.04947	0.8
121.02956	4.0
123.00891	1.7
123.04541	1.6
124.01676	4.4
125.02457	60.4
126.02804	2.7
131.01382	1.5
133.02972	2.8
135.04535	54.9
136.04842	2.4
137.02452	6.6
139.04047	1.3
145.03047	0.7
149.02466	7.8
149.99594	3.0
151.00378	100.0
152.00667	4.7
153.01950	12.3
161.02481	7.5
163.00383	0.8
165.01942	2.8
167.03458	1.4
168.00662	8.4
168.49202	0.7
169.01463	3.7
174.03247	1.0
175.00369	8.4
175.03996	4.8
176.00948	1.1
177.01930	11.6
178.99855	7.9
179.03471	1.2
181.01442	6.3
182.01764	0.8
188.04813	1.1
189.05576	1.8
191.03462	1.4
193.01465	1.6
193.04892	0.9
195.02931	1.1
195.04567	0.8
199.03996	2.5
201.02071	1.1
205.01376	1.3
217.05145	3.4
241.05067	2.4
243.06659	1.0
257.08347	0.7
259.06097	1.6
275.05615	8.1
281.06647	5.2
285.04053	24.3
285.07489	2.2
286.04391	2.3
287.05594	48.9
288.05942	4.0
299.05630	2.5
303.05093	36.2
304.05417	2.9
328.25555	0.7
350.92102	0.8
371.24255	1.4
381.17969	0.8
417.08197	1.2
419.10181	0.7
433.07745	1.8
445.07632	2.6
447.08942	3.2
459.09189	1.0
527.84021	0.8
551.11792	1.8
569.13007	28.1
569.22430	11.1
570.13452	5.8
570.22607	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.0
59.01377	17.6
61.98827	41.3
63.02399	1.6
65.00326	7.1
69.03454	1.9
69.49786	4.5
71.01390	5.4
72.99310	1.9
73.02948	2.0
75.00870	1.6
78.95915	1.4
79.01948	0.7
81.03434	1.7
83.01387	8.4
85.02959	2.6
88.98814	3.0
89.02445	2.0
91.01915	2.7
93.03475	4.3
95.01374	1.7
96.96034	3.8
96.96958	1.0
97.02949	2.7
99.00887	1.3
101.02448	3.1
106.42245	0.6
107.01402	11.5
108.02213	3.4
108.02831	0.7
109.02964	6.9
111.00922	0.8
113.02477	1.3
116.92861	1.2
117.03491	1.5
119.03517	0.8
119.05047	5.0
121.02966	6.5
122.03738	0.7
123.00896	4.8
123.04517	4.7
124.01684	15.8
125.02458	100.0
126.02783	4.4
133.02983	2.0
134.03769	1.3
135.00935	1.5
135.04536	17.5
136.01527	0.8
136.04857	1.2
137.02458	11.3
137.09685	0.8
138.02805	1.3
139.04047	2.5
145.02972	6.4
147.04497	1.1
149.02478	9.1
149.99597	18.0
150.03157	0.9
151.00381	44.4
151.03986	3.4
152.01163	5.1
153.01965	18.3
155.10777	4.3
159.04587	0.7
161.02464	9.3
161.04559	2.4
161.05989	1.1
162.02823	0.8
163.00404	0.9
163.04015	2.4
165.01930	1.8
167.03534	2.8
168.00653	38.1
169.01436	6.5
174.03299	1.2
175.00400	4.1
175.03984	8.2
176.01045	0.8
177.01930	16.6
177.05540	0.8
178.02481	1.5
178.99873	11.8
179.03445	1.8
181.01428	7.6
188.04707	1.1
189.05562	3.2
191.03482	1.8
193.01419	0.7
193.05132	1.5
195.03006	1.7
199.04047	3.1
199.09839	2.5
201.01913	1.2
205.05109	1.0
216.04305	1.0
217.05057	3.9
231.06572	1.2
236.45023	0.6
241.05133	3.2
243.06598	11.6
244.06941	6.8
245.07184	5.1
247.04050	0.7
256.03781	0.7
257.04617	0.9
259.06100	2.7
271.06091	10.6
272.06503	0.6
275.05563	13.8
281.06665	5.7
283.06192	0.9
284.03210	1.2
285.04050	35.6
286.04340	4.0
287.05588	7.7
288.06073	0.6
295.94037	0.8
299.05585	4.6
303.05084	48.5
304.05490	5.3
327.05276	1.7
329.21271	1.0
347.22208	0.9
365.43811	0.8
371.24197	4.0
417.07913	1.2
417.12915	0.9
443.09857	3.4
445.07977	3.0
447.09384	4.4
509.26950	0.8
533.31476	0.8
538.70215	0.7
541.13837	1.0
542.14227	1.0
551.12042	2.6
569.13153	12.3
569.22559	61.7
570.13544	2.8
570.22839	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	569.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02346	0.4
53.11225	0.4
57.03446	7.4
59.01368	3.8
61.98823	5.0
63.02394	1.7
65.00330	4.6
68.99840	0.4
69.46452	0.8
69.46851	2.3
71.01377	2.3
72.99293	0.5
73.02944	0.8
75.00883	0.9
77.97530	0.4
81.03456	5.0
83.01395	6.5
85.02956	1.3
87.00893	0.5
89.02443	1.0
90.87851	0.4
91.01875	0.5
91.16047	0.4
93.03463	9.6
94.03810	0.6
95.01382	1.2
96.96030	0.5
97.02963	1.1
98.20614	0.9
101.02456	1.5
104.19923	0.4
107.01406	5.3
107.05020	0.4
108.02219	0.7
109.02979	3.0
111.00906	0.7
113.02422	1.2
119.05046	1.0
121.02957	1.7
123.00909	0.9
123.04543	1.9
124.01688	2.6
125.02462	64.9
126.02786	2.0
131.01393	0.7
131.05011	1.1
133.02956	3.5
134.03755	0.5
135.00883	0.5
135.04512	1.0
136.01706	0.9
137.02473	7.9
138.02849	0.6
139.04010	2.4
143.05042	0.6
145.02972	1.1
145.06567	0.9
149.02460	4.1
150.03203	0.6
151.00378	18.2
151.04004	1.0
152.01173	4.7
153.01961	10.6
154.02452	0.7
155.05063	0.5
156.05775	0.6
157.06625	1.7
158.03787	1.9
159.04520	1.4
161.02446	0.9
161.04633	0.4
163.00395	1.4
163.04024	0.6
165.01947	1.9
167.03496	1.6
169.01430	1.8
169.06581	0.6
171.04578	0.8
172.05322	4.6
173.06091	12.0
174.06351	0.6
175.00441	1.9
175.03989	2.8
176.01164	2.8
177.01901	1.4
177.04115	0.9
177.05588	3.5
178.99872	16.8
179.03482	2.2
180.00175	0.7
181.01450	1.6
187.07645	1.5
194.02022	0.5
195.03006	0.8
195.04733	0.4
197.06064	1.2
199.03954	0.8
199.07652	2.0
200.04817	1.7
201.05547	4.3
203.03540	0.7
207.03061	0.5
213.05547	1.2
214.06323	0.7
215.07133	13.6
216.07414	1.4
219.06683	0.6
224.04868	0.5
228.95857	0.4
229.05135	0.7
239.05591	1.6
241.05051	3.4
243.06612	7.6
244.07036	0.7
255.06682	1.1
258.05389	0.6
259.06097	100.0
260.06418	7.6
267.06668	0.4
268.03806	5.1
269.04510	15.1
270.04935	1.3
271.06052	0.7
273.07751	1.3
281.06714	2.3
283.06116	16.9
284.06512	1.1
287.05612	72.6
288.05945	6.2
301.07178	6.2
302.07388	0.7
311.05670	2.9
325.07162	0.5
329.06784	1.0
403.10294	0.7
407.09763	0.5
419.97327	0.4
435.09271	1.4
445.07858	1.6
461.07193	0.4
462.07916	1.0
463.08600	0.7
499.79068	0.4
541.13452	26.3
542.13837	6.0
551.11859	23.1
552.12317	3.3
569.12885	10.3
569.22192	1.2
569.26404	0.7
570.13470	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	568.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50382	0.1
57.03471	0.2
59.01377	2.3
61.98831	100.0
62.98548	0.2
63.99227	0.2
65.00330	0.2
71.01387	1.3
72.99313	0.2
73.02953	0.5
78.95941	0.5
81.82111	0.1
82.65971	0.2
83.01403	0.3
85.02948	0.3
87.00884	0.2
88.98837	0.5
89.02450	0.8
93.03477	0.3
96.95998	0.2
97.03046	0.2
98.19828	0.2
99.00864	0.1
101.02480	0.6
107.01427	0.3
109.02977	0.4
112.04087	0.3
113.02483	0.3
116.61596	0.2
117.03487	0.4
119.05075	0.5
121.02988	0.3
123.04539	0.5
124.03071	0.1
125.02491	0.6
131.03519	0.4
135.04539	0.6
137.02486	0.7
137.09724	0.2
145.02994	1.2
146.03305	0.3
149.02534	0.2
149.04607	0.4
151.00369	1.1
151.03966	0.2
155.10814	0.2
161.02524	0.2
161.04596	0.4
163.04016	0.2
165.01997	0.2
171.10442	0.1
177.01849	0.1
191.05685	0.2
202.06450	0.2
259.06256	0.2
271.06091	0.8
272.06500	0.2
287.05670	0.7
304.06277	0.1
377.19464	0.1
531.22473	0.5
532.22650	0.6
569.13312	0.2
569.29974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01231	0.1
52.30072	0.1
57.03454	0.2
59.01379	2.5
60.01716	0.2
61.98829	100.0
63.99270	0.2
70.42943	0.2
70.43333	0.3
71.01392	1.1
72.99329	0.2
73.02940	0.3
78.95918	0.4
83.01411	0.3
83.05047	0.1
84.02245	0.1
85.02967	0.6
87.00893	0.3
87.04520	6.9
88.98813	0.8
89.02445	0.6
91.01912	0.3
93.03464	0.2
97.03012	0.2
98.19929	0.1
99.00887	0.1
101.02464	1.0
103.85715	0.1
109.02991	0.4
112.24480	0.1
113.02417	0.5
117.92690	0.1
119.05072	0.2
121.03004	0.2
123.04572	0.2
125.02484	0.6
131.03540	0.3
135.04526	0.2
135.08220	0.1
137.02466	0.5
137.09779	0.4
145.03009	0.5
148.56726	0.1
151.00374	0.5
151.04060	0.2
152.99658	0.3
153.02005	0.2
155.10805	2.3
156.11127	0.7
161.02461	0.1
161.04584	0.2
163.04027	0.2
164.01141	0.2
165.01996	0.2
171.10277	0.4
175.03964	0.2
177.02008	0.2
178.99940	0.4
197.00940	0.7
199.09776	1.4
200.10069	0.7
209.11873	0.4
241.10837	0.3
242.11122	0.1
271.02286	0.1
271.06207	0.2
272.06549	0.1
285.04092	0.1
289.07266	0.2
301.03369	0.3
301.13074	0.2
302.03860	0.1
302.13437	0.3
361.15140	0.3
362.15396	0.4
377.21796	1.0
421.21078	0.3
507.35861	0.1
508.35452	1.1
509.26202	1.1
513.16046	0.1
568.28833	0.7
569.29816	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	568.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.03456	0.9
59.01377	8.7
61.98829	29.1
65.59989	0.3
70.71751	0.8
71.01385	6.0
72.99314	0.7
73.02962	1.1
74.62607	0.2
75.00876	0.6
78.99339	0.2
80.91682	0.6
83.01411	0.4
83.53822	0.3
85.02964	2.0
87.00893	0.6
87.47353	0.3
89.02446	6.8
95.01394	0.5
96.96004	0.3
101.02459	5.3
107.05040	0.3
109.02962	0.5
113.02463	2.8
114.02731	0.4
116.92926	0.6
117.03494	1.1
119.03535	2.8
123.00930	0.3
123.04533	0.6
125.02464	1.2
131.03503	0.5
132.02179	1.1
133.02977	22.4
134.03279	0.8
135.04546	14.6
136.04907	0.7
137.02448	0.6
143.03499	0.4
145.02953	0.5
149.06140	0.4
151.04037	0.4
155.10818	0.5
159.78763	0.3
161.02466	100.0
162.02808	5.7
163.04047	0.3
163.06142	0.9
165.01964	0.4
167.10747	0.3
177.04091	0.7
177.05623	1.4
179.03523	13.6
179.05562	1.3
180.03871	0.8
181.07198	3.0
199.09706	0.4
221.04530	1.7
221.06566	0.7
251.05656	1.0
269.68216	0.3
281.06696	1.9
289.07172	0.3
323.07892	0.4
343.12555	0.6
377.14395	0.4
505.15594	90.4
506.15936	14.6
568.26831	0.7
569.19629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
59.01376	6.5
61.86881	0.6
61.98828	22.4
65.00330	0.8
69.94069	2.1
69.94485	1.0
71.01372	4.7
73.02933	1.0
75.00868	9.2
83.01398	1.5
83.58852	0.5
85.02953	3.2
87.00891	2.1
88.98812	2.2
89.02454	1.2
91.01897	0.7
93.03477	0.9
96.96024	1.2
97.02934	0.8
98.20544	1.0
98.91967	0.6
99.00867	1.1
101.02449	1.5
107.01408	2.5
108.02164	1.6
109.02949	1.7
113.02457	1.2
119.05046	1.0
121.02959	2.3
123.04502	0.8
124.01603	0.7
125.02464	2.3
125.09737	0.6
129.01938	2.5
137.02458	1.6
145.03020	0.6
148.01683	1.1
151.00371	8.5
152.01140	0.7
153.01938	0.9
155.10756	0.7
161.02458	2.0
163.00389	2.2
164.01068	1.0
169.01433	0.7
175.03993	0.9
177.04063	8.1
178.04349	1.0
178.99881	4.7
183.13940	0.7
185.11766	0.6
187.03981	0.7
201.11345	1.3
202.11707	0.7
211.04053	1.3
215.03491	0.7
226.02736	1.6
227.03497	1.7
241.86542	0.5
243.00742	0.7
243.03000	8.9
244.03552	0.7
245.04369	1.0
254.02226	2.4
255.02965	21.7
256.03424	1.8
271.02444	48.6
272.02866	5.7
273.04092	1.1
282.87140	0.6
283.02524	1.3
299.01959	1.2
300.02744	85.2
301.03433	35.0
302.03867	2.4
380.16516	0.5
389.25403	3.1
390.25726	2.5
391.26910	1.3
405.25409	0.7
463.08978	1.4
505.09818	100.0
506.10129	17.9
508.18356	0.7
533.28900	0.6
554.13208	0.6
564.08948	0.6
567.30359	10.4
568.22980	0.9
568.30804	9.5
569.23950	3.5
569.31885	5.1
588.23920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
57.03450	2.8
58.00590	1.2
59.01376	61.2
60.01704	0.6
61.98828	25.8
65.00311	0.5
69.03461	0.8
71.01383	26.5
72.01730	0.4
72.99319	1.2
73.02950	9.2
75.00874	0.9
78.95909	0.6
80.09367	0.3
83.01395	5.5
85.02956	15.0
86.00105	0.4
86.03290	0.3
87.00899	2.1
87.04528	0.4
88.98849	0.8
89.02450	5.5
91.01897	0.5
91.07872	0.4
93.03482	1.0
95.01395	2.7
97.02953	1.1
98.19814	0.7
99.00888	3.7
101.02453	23.4
102.02792	0.6
108.02183	1.0
109.02963	1.7
111.00903	2.1
113.02456	11.5
114.02755	0.4
116.08783	0.3
117.03491	0.6
119.03523	1.5
119.05068	1.2
121.02959	1.0
123.04562	0.6
125.02456	2.4
129.01942	0.8
131.03517	0.8
135.08191	0.3
137.02484	1.7
137.09749	1.0
141.01991	0.4
141.12856	0.5
143.03525	1.3
145.02972	2.5
149.99597	0.5
151.00389	1.1
151.04036	0.6
152.01147	0.7
153.01961	0.4
153.09169	0.5
155.10776	4.1
159.03012	2.6
159.04189	0.4
161.02487	0.4
161.04575	8.3
162.04935	0.4
163.03993	0.8
165.01904	0.4
165.05379	0.4
171.13927	0.9
175.03987	0.6
177.01923	0.7
178.99820	0.6
179.03688	0.4
179.05504	0.5
179.10857	0.8
189.01968	0.6
197.00931	1.1
199.09746	2.3
201.05553	0.4
211.07658	0.3
217.01469	0.3
223.55846	0.4
225.11305	0.4
229.08713	0.5
230.09396	0.5
241.10825	0.7
243.19652	0.4
271.06067	1.0
299.25885	1.2
300.02545	0.4
300.26083	0.4
301.12982	0.6
345.20639	0.3
345.30145	9.3
346.30405	1.4
361.15073	0.7
405.24927	0.6
410.15820	0.6
504.22141	0.4
507.35333	100.0
508.35669	19.6
567.30084	3.1
568.24426	0.3
568.29614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.3
58.00586	0.7
58.27710	0.4
59.01377	14.2
59.01678	0.7
60.01680	0.6
60.54409	0.4
61.98828	100.0
65.00311	0.5
68.05854	0.4
69.03456	0.9
71.01379	7.5
71.59262	0.8
73.02951	3.1
75.00866	0.5
75.86382	0.4
78.95898	1.5
80.64622	0.5
81.03458	0.9
83.01406	1.6
83.05033	0.9
85.02961	4.0
86.38731	0.4
87.00887	1.3
87.04523	4.5
88.98824	1.3
89.02430	2.2
91.01932	0.5
93.03467	1.5
95.05022	0.7
97.02980	1.6
97.06625	1.1
99.00885	1.1
99.04510	0.5
101.02461	4.7
107.01409	0.4
107.05054	0.8
108.02197	1.5
109.02982	1.8
109.06635	2.0
110.12519	0.4
113.02467	2.5
116.92888	1.2
117.03482	1.6
119.03522	0.9
119.05055	1.4
121.03006	1.2
123.04543	3.2
123.08186	1.5
124.01683	0.5
125.02443	5.2
126.28191	0.5
132.02081	0.4
133.03046	0.7
134.03740	0.5
135.04549	1.5
135.08153	2.4
137.02480	2.1
137.09738	6.0
138.01974	0.8
139.03964	0.5
139.07724	0.6
143.03474	0.6
145.02962	4.9
147.08205	2.3
149.09750	1.6
150.03244	0.7
151.00368	2.5
151.04027	0.6
151.07635	0.5
151.11311	1.8
152.01166	1.5
153.01949	0.8
153.09224	2.7
155.10793	33.7
156.11105	2.0
160.01614	0.9
161.02483	0.9
161.04562	1.0
161.09773	1.2
163.04010	1.8
163.07622	0.8
163.11345	2.0
164.08469	0.5
165.01974	0.5
165.09160	0.6
167.03511	1.3
167.10831	0.6
169.12334	0.9
171.08209	0.9
172.05420	0.5
175.04066	1.9
175.11285	0.7
177.01965	1.0
177.05608	0.7
177.09222	0.6
178.99884	1.2
179.03487	0.5
179.10783	11.1
180.11163	0.8
181.08771	2.0
187.07742	0.7
187.11269	2.6
189.01997	0.9
189.09309	0.6
190.09889	0.4
191.10849	0.8
195.10309	1.0
199.09750	16.3
199.13542	0.5
200.10156	0.9
203.10773	1.2
205.05048	0.5
205.12338	8.5
206.12708	0.8
209.11913	0.8
213.11267	0.9
215.07146	0.8
217.01299	0.7
223.09750	1.0
223.13463	0.9
229.08711	0.7
241.10835	3.2
253.11005	0.5
255.12479	1.4
259.06067	5.9
260.06467	0.5
271.06049	0.9
283.06128	1.7
283.11905	3.3
287.05585	5.0
288.06125	0.6
301.03592	1.1
301.07016	0.5
301.13037	0.9
311.05682	0.8
343.13962	0.9
345.30020	0.5
361.15250	0.7
419.11462	0.7
507.35165	8.7
508.35941	1.6
523.25421	6.2
524.25616	0.9
531.16125	1.0
531.22925	2.4
532.23340	0.8
539.15784	1.1
549.27081	12.5
550.27191	2.3
556.15216	0.5
567.28247	50.0
568.28656	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	567.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03449	5.2
58.00589	0.7
59.01382	11.8
61.98832	100.0
67.14309	0.5
71.01389	5.8
71.65462	0.7
72.18232	0.4
73.02959	3.2
75.00883	0.9
75.32320	0.4
78.95912	3.8
83.01396	1.2
83.05031	1.1
85.02965	3.7
87.00893	0.5
87.04523	4.0
88.98808	1.1
89.02444	2.5
93.03481	0.8
95.01410	0.7
95.05039	0.8
96.97063	0.5
97.02991	1.0
97.06629	0.8
99.00941	0.6
99.04558	0.5
101.02457	6.1
107.05041	0.6
108.02206	1.2
109.02955	1.3
109.06588	1.4
113.02492	2.2
117.03484	0.8
119.05081	1.2
121.02991	0.5
122.03709	0.5
123.04559	1.4
123.08228	1.3
124.01628	0.6
125.02484	3.1
125.06152	0.5
131.03563	0.7
132.02217	3.0
133.02995	1.1
133.11896	0.4
134.03769	4.2
135.04530	1.0
135.08194	2.0
137.02469	2.0
137.09743	8.9
139.07690	0.8
139.11263	0.5
141.09258	0.5
143.03545	0.5
145.02989	1.4
147.08195	1.6
149.06097	0.7
149.09726	1.0
151.00421	1.5
151.04074	0.7
151.11296	1.3
152.01151	0.6
152.99622	1.1
153.01886	0.7
153.09187	0.8
155.10802	58.0
156.11111	2.9
160.01680	16.1
161.02292	1.4
161.04620	1.1
161.09763	1.0
163.04015	1.0
163.11327	1.8
167.10826	0.5
168.00697	0.5
169.12364	2.1
171.10321	1.2
172.05185	0.5
175.04021	17.3
176.04362	0.9
177.01962	1.0
177.12907	0.6
178.02777	0.5
179.03572	1.1
179.10802	7.6
181.08702	3.2
187.11316	1.8
189.01894	0.8
189.09221	0.7
191.10760	0.8
193.05054	4.1
194.15399	0.4
195.10303	0.8
195.14067	0.8
197.11868	0.6
199.09776	37.5
200.04768	0.7
200.10025	2.9
201.05627	0.6
203.10744	0.6
205.12343	6.5
206.12930	0.6
209.11868	2.2
213.11281	2.7
217.01410	0.5
223.13399	1.0
229.08702	1.3
241.10828	8.4
242.11172	0.7
255.12456	0.6
271.06146	0.9
271.11795	2.3
283.06076	0.7
283.11661	2.6
301.12939	9.2
302.13245	0.6
324.66901	0.5
343.14050	1.1
361.15033	12.3
362.15454	1.7
368.14899	0.5
409.15021	0.7
470.14227	0.8
507.35208	3.1
508.35300	0.8
523.25336	3.6
524.25964	0.6
531.16895	1.3
535.23248	0.7
549.26990	9.0
550.26904	1.1
567.28210	54.5
568.20313	0.7
568.28601	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	567.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10976	0.9
51.27048	0.9
55.01859	1.4
57.03439	2.3
58.00586	2.9
59.01376	88.8
61.98827	5.9
69.52085	4.4
69.52510	3.2
71.01384	52.5
72.05818	1.1
72.99332	4.8
73.02952	3.4
74.84159	0.9
75.00880	2.4
78.91868	1.7
78.95904	3.4
81.03487	1.2
83.01382	2.0
85.02953	8.1
85.97343	1.0
87.00888	6.7
88.04026	1.4
88.98791	3.1
89.02450	70.4
90.02795	1.1
92.97723	0.9
93.03440	1.1
95.01382	4.5
96.04578	0.9
96.96013	3.2
96.96978	3.2
97.02947	1.4
99.00880	2.2
101.02457	27.7
107.03488	1.4
112.71082	1.0
113.02453	22.6
115.00369	2.8
116.92867	4.0
119.03513	28.9
123.04520	1.1
124.57826	0.9
125.02451	7.5
131.03506	4.3
133.02913	1.3
139.00299	1.3
143.03508	8.9
149.02420	1.1
149.04552	3.3
151.04053	0.9
153.01874	3.1
161.02434	2.8
161.04567	13.0
164.04678	1.7
168.04391	1.3
173.04143	0.9
175.02484	4.0
179.05618	100.0
180.05937	3.2
183.06654	4.0
183.10901	1.1
195.01152	1.1
197.00821	2.7
218.10277	1.6
220.62402	1.0
221.06673	2.6
249.06015	1.1
263.07562	1.0
306.96585	1.0
310.74908	1.1
323.09848	7.3
324.10275	1.4
403.05356	1.5
455.77814	1.0
505.15372	3.0
513.08478	1.0
567.19159	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.2
57.03445	3.1
58.00585	5.2
59.01374	100.0
60.01713	1.0
61.98826	57.1
68.99816	0.7
69.03453	26.0
69.25332	5.6
70.03796	1.4
71.01380	92.2
71.04996	0.6
72.01714	1.9
72.99313	5.0
73.02945	14.3
75.00896	1.3
79.01897	3.8
81.03455	5.2
82.85339	0.6
83.01392	7.8
83.05003	0.6
84.02137	0.6
85.02953	23.5
86.03301	0.6
87.00867	7.5
87.04506	0.9
88.98812	1.0
89.02448	97.0
90.02790	1.9
91.01905	1.0
93.03457	1.6
95.01391	10.3
96.07429	0.7
97.02957	24.4
98.03274	1.0
99.00896	4.1
101.02449	66.7
102.02779	1.7
107.01391	12.0
108.02181	45.4
109.02980	20.9
110.03317	0.8
111.00883	2.1
111.04517	0.8
113.02454	37.4
113.85401	0.7
114.02757	0.8
115.04034	0.8
119.03513	45.9
120.03825	0.8
121.02976	3.0
123.00893	5.0
123.04543	1.4
124.01673	2.0
125.02455	63.3
126.02745	3.1
129.01950	0.9
131.03514	9.7
134.03690	0.7
135.00893	26.9
135.04495	0.6
136.01247	1.0
137.02457	6.0
138.02776	0.6
139.04022	2.2
141.01926	1.3
143.03519	13.1
145.02968	1.3
146.03763	0.9
149.02466	1.1
149.04533	4.0
149.99574	1.7
151.00383	4.9
151.04019	2.1
152.01160	67.7
153.01955	41.8
154.02254	1.6
155.10841	0.7
159.02937	1.4
160.01540	0.6
161.02405	1.6
161.04573	15.5
161.05870	0.9
162.04874	0.6
163.04044	1.8
164.04800	1.2
165.01834	1.3
167.03485	2.2
168.00650	3.7
175.03947	1.2
177.01912	1.2
177.04076	0.7
177.99301	0.6
179.03421	1.5
179.03743	1.0
179.05626	19.6
179.07169	1.5
180.05978	0.8
181.08749	0.6
181.12352	0.7
183.69370	0.6
188.57904	0.6
195.02965	2.4
195.05055	1.7
197.06094	3.9
203.05585	1.0
208.49136	0.6
213.05482	1.4
215.06961	0.7
221.06654	26.4
222.07056	1.2
242.05762	1.5
243.06590	20.7
244.06975	1.7
245.06659	3.4
255.05092	2.6
255.15958	1.7
263.07657	10.5
283.13220	0.7
285.04004	0.8
307.30188	0.6
315.07233	2.1
323.09802	26.0
324.10056	2.3
357.08264	1.5
405.11450	0.8
459.11398	82.0
460.11685	11.8
507.27911	1.5
525.28687	0.9
567.20190	4.1
567.31812	0.7
568.22864	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	567.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22639	0.1
57.03449	0.3
58.00577	0.1
59.01376	2.2
61.98827	1.2
65.00320	0.4
65.03964	3.1
67.01888	1.7
69.03433	0.2
69.61019	0.8
69.61430	0.3
71.01382	2.5
73.02946	0.4
75.00873	0.5
81.03455	0.2
85.02959	0.9
87.00887	0.4
88.98808	0.5
89.02454	2.3
91.01902	20.2
92.02237	0.6
97.02958	0.2
99.00909	0.2
101.02464	1.6
107.01380	0.2
108.02192	0.3
109.02966	24.2
110.03288	0.7
113.02474	1.0
116.92902	0.3
119.03529	1.0
119.05053	0.2
121.02978	0.2
123.04533	0.2
125.02441	1.4
129.01979	0.2
131.03503	0.3
131.05013	0.1
133.01477	0.3
133.02992	0.2
135.00900	60.8
136.01231	2.8
137.02472	0.6
143.03534	0.4
145.02977	0.2
149.02452	0.2
153.01955	100.0
154.02290	4.0
155.10831	0.2
160.01695	0.3
161.02432	0.6
161.04576	0.5
163.03958	0.2
168.00665	0.2
171.10318	0.2
175.03990	0.5
177.01852	0.7
177.04063	0.4
179.05655	0.5
195.02992	0.4
195.05087	0.3
199.07674	0.2
199.09454	0.1
201.11006	0.1
207.02983	0.1
221.06711	0.6
231.11423	0.1
242.05815	0.2
243.06604	2.5
244.06984	0.2
245.06615	0.2
263.07755	0.2
272.80606	0.1
285.04028	0.2
297.06058	0.2
300.02798	0.2
323.09885	0.6
435.11136	0.2
459.11426	5.0
460.11801	0.6
461.14514	0.2
505.13464	0.2
567.17365	0.2
567.22900	0.4
567.30646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45197	0.2
57.03447	0.2
58.00555	0.4
59.01375	6.5
60.99288	0.7
61.98832	4.8
65.00305	0.3
67.01869	0.3
68.99814	0.7
69.03457	0.6
69.93342	1.4
71.01377	2.1
72.99315	0.4
73.02940	0.6
75.00871	1.1
81.03458	4.6
83.01383	0.6
85.02944	1.7
87.00880	0.7
88.98819	3.6
89.02443	1.4
91.01892	0.6
93.03465	3.4
94.03778	0.3
95.01392	4.5
97.02932	0.6
98.20581	0.3
99.00907	0.3
101.02467	1.3
103.04034	0.6
105.03488	1.2
107.01400	3.0
107.05016	0.5
108.02171	0.7
109.02988	1.7
111.00868	0.3
113.02425	0.4
117.03461	0.7
119.05051	0.7
121.02968	2.2
122.00131	0.3
123.00901	3.7
123.04536	1.1
124.01654	0.7
125.02458	12.4
126.02766	0.5
133.02950	1.5
134.03719	0.5
135.00874	0.9
135.04510	1.0
136.01643	0.3
137.01448	0.4
137.02463	7.4
138.02748	0.3
143.67146	0.2
145.02960	1.1
147.04507	0.5
149.02454	2.4
149.99596	67.1
151.00389	9.6
151.03981	1.4
152.01060	0.7
153.01952	0.9
159.04559	0.3
160.01614	0.5
161.02417	1.8
163.00362	0.8
163.04028	0.8
165.01929	1.8
166.99849	2.1
167.03485	0.6
168.00644	3.3
169.01431	2.0
175.00417	0.3
175.04060	1.4
177.01944	2.5
178.02655	0.3
178.99849	0.4
179.03505	0.6
180.04134	0.2
187.04015	0.4
191.03500	0.5
192.00633	2.1
193.01428	4.5
193.05023	0.5
194.01648	0.4
195.03043	0.4
201.51129	0.2
203.03493	0.5
205.01398	2.2
205.05057	0.4
211.02461	0.5
215.03534	0.3
223.02420	0.2
234.80833	0.3
234.90663	0.2
240.77397	0.3
243.02855	0.3
246.95372	0.2
249.23782	0.2
267.05081	0.4
271.08191	0.5
277.03717	0.3
283.06070	0.3
295.04620	0.8
301.03607	0.4
313.05524	1.3
331.06781	0.5
339.07092	1.6
377.10324	1.5
391.15866	0.3
459.11404	100.0
460.11755	13.1
466.32397	0.3
477.12469	0.9
531.22504	0.3
535.15845	0.3
567.16083	1.3
567.25482	1.4
567.34015	0.3
568.17902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16644	0.7
55.01877	2.7
57.03455	3.6
58.00595	5.0
59.01378	100.0
60.01705	1.1
61.98832	57.0
65.65067	0.6
68.99815	1.2
69.03461	28.9
69.03842	1.5
69.35184	3.6
69.35625	3.0
70.03785	1.0
71.01385	97.0
72.01727	1.2
72.99313	5.0
73.02951	12.0
73.38576	0.5
75.00873	1.9
75.65346	0.6
77.81556	0.7
79.01877	3.6
79.62215	0.6
81.03459	3.8
83.01392	9.3
84.02148	0.7
84.11764	0.6
85.02959	21.8
86.03307	0.8
87.00880	9.6
88.98821	0.9
89.02453	88.3
90.02784	1.6
93.03453	2.0
95.01404	9.2
97.02961	18.8
99.00893	5.4
100.87717	0.6
101.02454	64.6
102.02773	1.4
106.90491	0.6
107.01400	10.3
108.02191	43.1
108.35691	0.6
108.81622	0.6
109.02991	19.8
110.03298	1.0
111.00878	2.7
111.04547	0.9
113.02461	37.0
117.42448	0.6
119.03519	46.9
120.03821	1.2
120.32321	0.6
121.02946	3.7
122.03787	0.9
123.00885	5.4
123.04494	1.2
124.01669	1.4
125.02462	61.6
126.02774	1.8
129.01872	1.2
131.02637	1.0
131.03522	8.8
134.03737	1.0
135.00908	25.6
135.04457	0.8
137.02457	7.5
139.00310	0.8
139.03987	2.1
141.01979	1.0
143.03526	11.4
145.02959	1.3
149.02483	1.2
149.04556	3.7
149.99583	1.4
151.00357	3.5
151.04050	1.6
152.01173	68.8
152.07138	0.7
153.01967	39.3
154.02336	1.5
155.10751	0.7
159.02957	1.2
160.01666	0.9
161.04564	15.1
162.04922	0.8
163.03999	1.6
165.01910	1.1
167.03549	1.5
168.00626	3.0
169.06519	0.9
173.42842	0.7
175.03932	1.1
177.01852	1.4
179.03387	1.1
179.05632	19.4
179.07130	1.3
180.05882	0.9
195.02954	2.5
195.04977	1.5
197.04488	0.7
197.06104	4.1
198.06422	0.9
198.18944	0.7
203.05600	1.1
205.04964	0.9
213.05377	0.9
221.06670	22.7
222.07072	1.6
225.11316	0.7
226.11697	0.9
231.75136	0.7
239.05737	0.7
242.05688	1.9
243.06595	19.7
244.06853	2.3
245.06609	4.6
255.04979	1.8
255.15929	1.9
263.07718	10.0
315.07016	1.6
323.06253	1.3
323.09830	21.0
324.09866	1.8
357.08060	1.9
369.07977	0.9
405.11780	1.0
459.11423	73.0
460.11810	9.9
567.20465	5.0
568.20856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
59.46175	0.2
61.98829	100.0
63.99227	0.2
70.92680	0.5
70.93053	0.3
70.96379	0.2
78.91877	0.3
83.27548	0.2
88.38925	0.2
114.04454	0.2
150.47916	0.2
164.09717	0.2
207.37099	0.2
298.29517	0.2
301.03275	0.2
301.84464	0.2
364.57101	0.2
393.65924	0.2
439.32303	0.2
457.33826	1.0
485.32919	0.3
503.33762	13.1
504.34076	3.2
538.90002	0.2
566.12122	0.3
567.32086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68381	0.3
59.01373	0.9
61.98829	100.0
62.82764	0.3
71.55395	0.5
74.09582	0.3
78.95947	0.4
88.42245	0.3
106.49876	0.3
129.52356	0.3
208.36333	0.3
266.57083	0.3
427.32245	0.5
439.31937	0.4
457.33160	5.2
458.33380	1.0
467.31985	0.5
503.33737	78.7
504.34091	15.6
566.37006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18742	0.3
59.01366	1.8
61.98828	100.0
62.98520	0.4
63.99259	1.0
71.62934	0.4
88.98811	0.3
96.96069	0.3
99.36136	0.3
143.45836	0.3
160.63155	0.2
188.42471	0.3
223.13535	0.3
247.36598	0.3
250.54309	0.3
330.48944	0.3
338.07590	0.3
356.12219	0.2
431.06900	0.3
503.33966	1.0
541.53516	0.3
567.33899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21129	0.1
55.01889	0.1
56.04095	0.1
57.03444	0.7
58.00601	0.4
59.01376	12.6
60.01703	0.9
60.99306	0.1
61.01796	0.3
61.98828	22.8
65.00340	0.1
67.01859	0.1
69.03456	0.4
71.01382	9.2
71.59357	0.2
72.01720	1.1
72.99308	1.2
73.01801	0.2
73.02943	2.3
74.03299	0.2
75.00876	3.0
77.01328	0.1
83.01396	0.7
83.05025	0.1
84.01726	0.1
85.02952	2.2
86.03288	0.3
87.00879	1.5
87.04528	0.2
88.01181	0.2
88.98830	0.4
89.02448	11.8
90.02783	1.6
91.01933	0.2
91.02886	0.3
93.03481	0.4
95.01405	0.3
95.04997	0.1
97.02998	0.4
99.00893	0.8
99.04555	0.1
99.92590	7.2
100.92616	0.6
101.02451	6.2
102.02781	1.2
103.00371	0.1
103.02869	0.2
103.04027	0.1
105.02004	0.1
107.01350	0.1
108.02214	0.2
109.02950	0.7
111.00884	0.2
113.02458	1.9
113.99592	0.8
114.02806	0.2
114.93471	0.2
115.00397	0.4
115.04014	0.1
116.92870	100.0
117.01968	0.9
117.92876	7.0
119.03518	1.2
119.05016	0.3
120.03851	0.2
121.02985	0.1
123.04557	0.2
125.02456	1.2
125.09739	0.2
126.02840	0.1
127.04188	0.1
129.01936	0.9
131.03516	5.3
132.03857	1.1
133.02963	0.2
133.03908	0.2
134.03810	0.2
135.00916	0.4
135.04521	0.7
137.02461	0.4
137.09743	0.2
139.11317	0.6
141.01924	0.3
143.03487	0.2
145.03017	0.3
145.05089	0.1
149.04565	10.5
150.03154	0.2
150.04913	3.0
151.00389	1.2
151.03979	0.3
151.05020	0.8
152.01152	0.3
153.01939	0.8
155.10793	1.1
156.00607	0.6
159.03004	0.3
160.01724	0.1
161.02455	0.9
161.04552	0.4
161.48790	0.1
163.00381	0.1
163.04010	0.3
163.06081	0.1
163.11266	0.2
165.01955	0.2
165.05615	0.2
171.10207	0.1
173.04527	0.2
174.01712	3.0
175.02141	0.3
175.03972	0.3
176.02200	0.1
177.04060	1.7
178.04335	0.2
178.99954	0.4
179.03471	0.3
179.05711	0.5
179.10675	0.2
181.07118	0.4
181.12378	1.1
183.10233	0.6
191.05621	2.3
192.05942	0.8
193.06352	0.2
195.05095	0.5
196.05588	0.1
199.07794	0.1
199.09738	0.4
199.13356	0.1
201.11307	0.9
204.80643	0.1
205.05127	0.1
225.11311	0.7
226.11594	0.1
243.02939	0.2
243.06789	0.1
243.12376	1.1
244.03476	0.1
251.07654	0.1
252.08101	0.1
255.02937	0.2
256.03229	0.2
257.03549	0.2
271.02515	0.6
272.02820	0.4
273.02939	0.4
286.04297	0.2
287.05597	1.5
288.05902	0.1
289.07159	0.2
300.02789	0.9
301.03116	1.0
302.03311	0.9
311.09915	0.3
318.13431	0.1
327.08871	0.2
331.65753	0.1
344.53732	0.1
385.15042	0.1
387.16669	0.3
389.17850	0.3
389.25418	0.8
403.15991	0.2
405.16840	0.1
452.75711	0.1
459.11243	0.4
469.21005	0.3
471.21341	0.1
491.15408	0.2
505.26434	0.4
506.26859	3.1
507.27057	1.8
511.21292	0.2
529.22870	0.1
531.20441	0.2
566.13702	0.1
566.21667	0.4
566.29840	0.2
567.12665	1.9
567.22693	5.6
567.30334	2.1
568.12463	0.2
568.23358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.2
59.27220	0.1
61.94580	0.1
61.98827	100.0
62.98527	0.2
63.16792	0.1
69.30721	1.0
69.53696	0.1
83.98729	0.1
86.26146	0.1
100.45480	0.1
101.66302	0.1
107.73423	0.1
144.88766	0.1
176.15640	0.1
225.04327	0.1
245.92480	0.1
259.69879	0.1
312.38190	0.1
327.42862	0.1
408.59619	0.1
462.80939	0.1
574.50934	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	566.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40251	0.2
59.01376	0.4
61.98825	100.0
62.98545	0.2
70.02830	0.7
72.33152	0.2
84.98394	0.1
98.20016	0.3
147.51590	0.2
198.30687	0.2
313.88235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35687	0.2
61.98827	100.0
62.98528	0.3
63.99258	0.3
69.31136	0.2
69.31577	1.3
69.31886	0.1
87.16428	0.1
98.19898	0.2
161.53308	0.1
400.44214	0.2
543.80304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69746	0.4
59.01375	1.5
61.98829	100.0
63.22889	0.4
63.99256	0.5
69.73351	0.4
71.63361	0.5
71.63738	0.5
75.00909	0.5
78.91900	2.9
79.22076	0.4
126.19781	0.4
210.29587	0.4
301.03098	0.6
324.60397	0.5
374.30862	0.5
470.34854	0.4
485.33029	0.6
503.32828	0.6
566.12720	0.7
567.32269	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21810	0.1
56.69085	0.1
59.01372	0.1
61.98827	100.0
62.98513	0.2
65.05540	0.1
69.36731	0.9
69.37152	0.4
102.00108	0.1
107.07622	0.1
246.43349	0.1
288.90707	0.1
528.29028	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66044	0.3
58.00600	0.3
59.01380	7.9
61.36267	0.3
61.98829	12.9
69.03480	0.3
69.57475	2.5
71.01384	6.7
72.99319	0.6
73.02956	0.3
75.00867	0.5
78.91885	0.9
78.95908	0.5
79.75298	0.3
83.01380	0.3
85.02952	0.9
87.00898	1.0
89.02454	7.8
93.03469	0.6
95.01402	0.5
96.95982	0.5
96.96982	0.7
98.20617	0.4
101.02457	4.0
113.02479	2.9
115.00330	0.4
116.92883	1.1
117.03477	0.4
119.03514	2.3
122.97988	0.3
123.04509	0.4
123.36818	0.3
125.02452	0.4
126.52611	0.3
132.02191	1.1
133.01392	1.0
133.02971	20.3
134.03345	0.9
135.04550	2.3
136.66464	0.3
137.02455	1.1
143.03545	0.6
157.01419	0.3
157.58450	0.3
161.02463	100.0
162.02800	6.1
165.05557	0.4
175.02425	0.4
179.03522	2.3
179.05629	1.9
179.06978	0.3
180.03926	0.4
181.07164	0.3
189.05440	0.3
221.06725	0.4
255.03896	0.4
289.07083	0.4
323.07727	1.1
341.10886	1.3
345.11826	0.7
385.13559	0.4
463.14420	0.8
503.14035	64.1
504.14380	9.5
566.19318	0.4
567.17255	0.9
567.26483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44261	0.1
57.03458	0.1
59.01373	2.4
60.99310	0.4
61.90283	0.1
61.98828	100.0
62.98526	0.2
65.00328	0.3
69.24736	1.3
71.01391	1.1
72.99310	0.1
73.02962	0.3
75.00877	0.3
83.01419	0.2
83.74232	0.1
85.02959	0.4
87.00898	0.2
88.98823	1.2
89.02466	0.6
89.99154	0.2
91.01899	3.6
93.03477	0.3
95.01387	0.3
97.02998	0.1
101.02469	0.7
107.01479	0.2
107.05033	0.2
108.02184	4.3
109.02967	1.8
113.02457	0.4
113.48222	0.1
115.92068	0.1
116.92902	0.1
117.03500	0.4
118.46195	0.1
119.05039	1.2
121.03000	0.3
122.06135	0.6
123.00896	1.3
123.04555	0.2
124.01654	0.4
125.02492	0.7
125.03294	0.1
133.02980	0.2
133.06599	0.2
134.03757	0.2
135.00900	3.2
135.04535	0.4
137.02466	1.0
143.03574	0.1
145.02962	2.1
145.03993	0.2
146.03378	0.2
149.02451	0.2
149.99503	0.2
151.00392	0.5
151.03970	0.2
152.01170	4.1
152.07167	0.8
153.01958	1.6
155.10764	0.2
157.08751	0.2
161.02473	0.3
161.04631	0.2
161.06116	0.8
162.03246	1.2
163.04015	2.2
168.00699	0.1
173.06110	0.1
175.04167	0.2
177.01945	0.2
177.05569	1.7
187.03954	0.2
191.05574	0.2
195.03130	0.2
195.05103	0.2
197.06082	0.4
199.07617	0.1
205.05051	1.4
211.04143	0.1
211.07617	0.4
213.05554	0.2
215.07127	0.3
217.05148	0.1
235.06093	2.3
236.06406	0.2
243.06604	26.2
255.02843	0.3
256.03375	0.1
259.05984	0.7
264.05457	0.1
265.07162	4.0
265.09738	0.2
266.07547	0.2
271.02414	0.3
272.02786	0.2
284.03333	1.0
285.04013	2.3
293.09271	0.7
300.02866	0.3
301.03375	0.4
302.03683	0.3
305.09302	0.2
307.08267	0.1
325.09305	1.8
326.09564	0.2
375.27478	0.2
399.23941	0.3
458.17078	0.4
459.11331	0.8
476.09106	0.5
502.16193	1.5
503.15674	0.9
504.15613	0.2
534.18677	0.4
566.12390	0.2
566.20172	0.3
567.10376	1.6
567.18335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03452	2.9
58.00584	0.6
59.01381	40.0
60.01702	0.8
61.98832	100.0
63.99276	0.9
69.03461	1.2
71.01389	25.2
72.01727	0.8
72.99314	2.6
73.02955	7.8
75.00903	1.0
78.95912	19.8
81.03471	0.9
81.47206	0.5
83.01395	4.8
83.05042	0.6
83.17561	0.6
85.02959	10.4
85.03452	0.8
87.00888	2.0
87.04543	0.7
88.98828	2.4
89.02453	8.0
93.03486	2.5
95.01409	1.9
95.04996	0.7
95.65257	0.5
96.96033	1.2
96.96977	5.1
97.02993	1.5
99.00912	2.8
101.02459	17.6
104.98777	0.5
105.01994	0.6
105.24566	0.5
107.01423	1.2
108.02199	1.9
109.02969	8.0
111.00921	2.4
113.02464	8.4
115.04037	0.6
116.92891	0.8
117.03499	0.8
119.03537	2.3
119.05058	1.9
121.02976	4.0
123.04555	1.6
125.02450	2.9
129.01938	0.7
131.03525	1.6
132.02193	0.6
134.03773	1.4
135.04543	2.0
135.11848	0.7
137.02493	2.0
138.98073	2.4
145.03029	2.7
147.04555	0.7
148.05319	0.6
149.04617	1.4
149.99602	1.1
151.00378	3.7
151.03987	0.9
152.01187	2.3
153.01985	5.4
153.05652	1.8
153.09248	0.8
155.10777	0.7
159.03065	2.3
159.04350	0.6
160.01727	1.5
161.02463	0.9
161.04564	5.9
162.03227	1.8
163.04128	1.0
163.07751	0.9
165.01945	0.8
171.00032	0.5
171.13974	2.1
175.04028	1.1
177.05667	1.2
178.99925	1.0
179.10866	1.7
181.12347	3.2
191.05736	1.5
193.05078	1.0
223.13496	0.7
225.11299	8.3
226.11600	0.6
227.03516	0.8
229.05103	1.1
230.05453	0.9
233.06532	0.8
241.01288	1.8
243.02972	1.2
255.02916	3.1
256.03528	1.1
267.12418	1.0
271.02557	4.0
271.06195	1.9
284.03214	1.2
285.03973	6.2
286.04391	5.8
287.04681	5.3
300.02795	6.3
301.03192	1.4
327.14600	2.3
343.28482	4.4
359.28012	1.3
373.22403	1.9
381.43268	0.6
387.16647	2.0
403.22360	1.2
445.23453	0.8
502.11087	1.9
505.26627	12.3
505.34052	54.7
506.27081	2.3
506.34418	10.6
517.28174	0.8
521.33899	0.8
547.27008	1.0
565.13129	5.3
565.28876	10.2
566.12305	2.1
566.21960	1.0
566.28448	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	565.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48972	0.6
55.53046	0.6
57.03448	2.6
58.00583	3.8
59.01377	97.5
60.01711	1.3
61.98838	4.8
66.75504	0.5
68.99848	0.6
69.03430	0.6
69.21861	6.2
71.01383	59.6
72.01720	1.1
72.99319	3.7
73.02948	9.6
75.00862	3.4
83.01396	2.9
84.63097	0.6
85.02960	9.3
87.00888	8.5
89.02451	96.6
90.02799	2.0
95.01414	1.0
98.20603	1.3
99.00903	1.4
101.02455	46.3
102.02823	1.0
111.00823	0.6
113.02475	10.8
113.03250	0.7
113.99635	2.1
114.93434	4.1
115.00385	0.8
116.92881	1.3
119.03518	6.3
125.02483	2.5
129.01953	1.6
131.03517	42.9
132.03856	1.7
137.02415	0.9
143.03523	2.0
149.04573	100.0
150.04918	3.1
151.00365	1.8
153.01889	0.7
155.10806	0.6
156.00674	1.0
159.03040	0.7
161.02481	0.8
161.04575	3.1
174.01698	8.9
177.01913	0.6
177.04083	3.6
178.99899	1.3
179.05646	1.7
179.10793	1.2
191.05634	22.1
192.05960	0.9
193.05115	1.4
195.05103	1.6
220.41911	0.6
221.42786	0.6
225.11259	0.7
227.03400	0.9
243.02953	2.3
251.07719	3.0
255.03029	5.6
255.34308	0.7
256.03296	1.7
270.99667	1.0
271.02481	13.1
271.09805	0.6
272.02829	2.0
280.36563	0.6
281.08768	1.2
283.02499	1.6
284.02786	0.8
285.03503	2.0
286.04327	1.3
287.04834	1.0
293.08829	1.6
300.02774	25.0
301.03180	3.5
303.04968	0.8
311.09964	3.5
336.21533	0.7
373.22266	0.9
417.21451	0.7
432.09662	1.4
433.10355	1.7
469.20602	1.3
503.11392	0.6
505.26529	47.9
506.19864	1.1
506.26828	7.0
565.12091	20.3
565.21368	8.5
565.28711	0.8
566.12415	4.0
566.20752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39417	1.0
53.76233	0.8
57.03439	3.3
58.00581	1.2
59.01375	23.3
61.98823	3.4
69.03459	1.6
69.28597	3.7
69.29024	4.9
71.01385	18.7
71.38867	0.7
72.99299	2.4
73.02950	3.8
75.00871	30.0
83.01387	2.4
84.02167	1.3
85.02956	11.9
86.23341	0.8
87.00879	9.6
87.04538	0.8
89.02447	14.4
93.03415	0.8
97.02943	2.0
99.00872	5.7
101.02438	7.2
107.01339	0.9
108.02177	1.7
111.00871	1.1
113.02454	3.2
113.99647	0.8
114.93410	1.3
116.92869	1.6
119.03509	1.7
124.83999	0.8
125.02406	1.4
129.01952	12.8
131.03494	8.2
132.96788	0.8
135.11812	5.3
141.01921	1.2
148.01695	1.1
149.04573	8.4
151.00404	4.2
152.01132	0.9
153.02000	1.7
155.10732	1.2
159.02991	5.0
159.11789	1.1
161.02574	1.0
161.04575	2.0
161.09708	4.8
163.00356	1.6
163.06126	2.0
168.05750	0.7
170.07053	1.2
174.01700	4.7
174.02994	1.0
177.04051	35.7
178.04306	1.4
178.99826	3.0
179.05542	2.3
179.10776	17.9
180.11147	1.3
181.07164	6.1
181.12311	1.9
183.04550	1.0
191.05652	5.0
193.05086	0.8
195.05116	7.5
203.10631	1.1
211.04025	1.0
215.03355	0.8
221.06660	0.8
223.09741	2.0
225.11299	1.6
226.02654	1.2
227.03484	3.1
228.03658	1.2
243.02983	7.4
244.03391	0.9
251.07478	1.0
254.02170	1.9
255.00197	1.0
255.02975	30.4
256.03317	9.5
257.03519	9.5
271.02448	46.1
272.02707	4.7
283.02472	25.0
283.11057	1.1
284.02783	20.3
285.03329	30.9
286.04349	18.1
287.04605	18.2
299.01920	2.0
300.02728	88.4
301.03220	12.0
342.33475	0.8
383.13507	2.9
384.14139	1.0
385.14697	1.1
387.16525	4.0
401.14587	1.8
402.15039	1.1
403.15585	1.1
430.08942	1.3
431.09647	8.5
432.09915	16.9
433.04517	1.7
433.10367	31.4
434.10556	2.7
469.20566	1.5
505.26337	1.9
529.18738	4.8
565.12323	69.3
565.21368	100.0
566.12549	13.8
566.21716	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
59.01377	7.1
61.98830	32.0
69.03455	3.5
71.01391	1.8
75.00872	0.4
77.80312	0.4
78.95918	0.5
81.03475	1.0
83.01392	1.3
83.05035	0.4
85.02970	0.8
88.98808	0.4
89.02464	0.7
93.03482	0.6
95.01399	1.9
97.02980	2.8
98.20689	0.5
101.02435	0.5
107.01418	1.3
108.02208	0.9
109.02961	1.3
113.02468	0.6
116.92901	0.5
117.03492	1.0
118.03843	0.5
119.05000	0.5
119.47362	0.4
121.02945	0.9
123.00898	7.4
123.04557	0.5
124.00730	0.7
124.01675	27.2
125.02467	55.2
126.02797	1.9
135.04570	0.6
137.02469	3.2
145.02963	3.7
146.03307	1.8
149.02451	0.4
149.99603	34.7
151.00423	5.5
151.03978	0.8
153.01956	0.4
160.01753	0.4
161.02475	0.5
163.03981	0.7
165.01938	0.9
166.99763	0.4
167.03497	0.8
168.00661	64.4
168.95033	0.4
169.01398	7.6
177.01917	0.4
181.01530	0.4
191.05557	0.4
193.01431	0.5
205.05159	0.3
251.16547	1.4
255.02878	0.9
271.02438	2.0
271.06033	0.8
300.02740	3.9
313.05682	1.6
331.06519	0.4
505.33832	0.8
565.22852	100.0
566.23193	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	565.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.4
60.99307	15.8
61.98828	10.6
63.14847	0.2
64.23628	0.2
68.30885	0.3
70.38888	0.5
70.39261	1.0
71.01385	1.7
73.02953	1.0
78.95914	0.3
85.02956	0.5
87.00883	0.5
88.00398	0.8
88.98814	100.0
89.02447	6.7
89.99153	1.1
91.01900	10.5
92.02265	0.5
93.03468	0.5
97.02970	0.3
98.20095	0.5
99.92595	1.1
101.02444	0.9
108.02177	0.6
109.02970	1.1
113.02446	0.4
116.06061	0.2
116.92874	14.8
117.01953	0.9
117.92881	1.4
119.05054	0.5
121.02965	0.3
123.04531	0.6
125.02515	0.3
127.80207	0.2
135.00912	3.9
135.04529	0.3
137.02420	0.7
145.02943	0.7
149.02472	0.3
150.03250	0.8
151.00389	0.6
152.01138	0.6
153.01971	2.7
153.05623	0.5
159.11758	0.3
160.01659	0.5
161.04514	0.3
161.09726	0.4
163.00481	0.3
163.04108	0.4
165.05566	0.4
175.04005	0.7
177.01997	0.4
178.99878	12.6
179.10814	0.4
180.00203	0.6
195.06674	0.5
197.00926	11.6
198.01294	0.7
209.11897	0.4
255.03038	0.3
271.02466	0.6
285.04114	0.5
300.02689	1.5
344.55011	0.3
378.31161	0.3
505.33551	0.7
565.15833	6.3
565.23907	0.9
566.16296	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.6
59.01377	13.0
61.98831	12.0
63.02411	1.1
65.00013	0.7
65.00296	4.0
69.03464	4.2
69.34325	2.0
69.34736	4.5
69.70989	0.6
71.01386	16.4
72.99303	3.2
73.02944	4.1
75.00878	31.3
78.95911	0.8
81.03516	0.8
83.01395	6.0
84.02194	0.8
85.02963	11.4
87.00892	9.7
87.04522	1.3
88.98808	0.9
89.02448	6.9
93.03481	3.8
97.02953	4.6
99.00895	5.4
101.02455	6.6
107.01411	6.8
107.05038	2.8
108.02220	0.9
111.00897	2.4
113.02450	3.1
115.04025	0.8
118.34841	0.6
119.03558	0.9
119.05040	17.0
121.02962	2.6
121.06636	0.8
124.33667	0.7
125.02454	2.2
129.01956	14.0
131.03490	1.2
133.03008	1.0
133.10205	1.1
134.03833	0.7
135.04526	0.8
135.11852	4.4
137.02455	2.7
141.01987	3.3
145.02951	1.2
147.03049	0.7
148.01620	0.9
149.02472	0.9
151.00386	29.3
151.03935	1.1
152.00948	1.1
152.55495	0.7
153.01933	1.0
155.10776	1.0
159.03064	5.5
159.08191	3.4
161.02495	1.1
161.06119	0.8
161.09727	7.7
163.04019	1.4
163.06104	1.9
163.11284	1.2
165.01923	2.3
166.02698	1.9
169.01379	0.8
175.00401	1.8
177.01895	1.6
177.02219	1.5
177.04051	40.5
178.02577	0.7
178.04295	0.8
178.99879	2.8
179.05611	0.8
179.10783	23.0
180.11076	1.9
181.05069	2.5
181.07175	11.0
181.12390	4.5
185.06030	1.2
187.03995	1.7
193.01466	1.1
195.05116	13.5
199.09863	1.0
203.10727	1.0
205.08731	0.7
207.06671	1.2
214.52251	0.7
223.09740	4.0
225.11331	11.1
226.11655	1.3
227.07260	1.9
241.05087	0.7
243.02960	5.0
244.03674	0.8
254.02165	0.7
255.02971	13.9
256.03262	1.6
271.02478	27.6
271.06082	64.3
272.02905	3.6
272.06403	6.8
281.06467	0.8
295.06161	2.5
299.02057	0.9
300.02750	54.8
301.03271	7.2
313.07089	1.6
346.46524	0.8
383.13428	6.1
385.14996	13.1
386.15613	1.5
387.12088	1.1
387.16653	9.8
388.03168	0.7
388.11893	1.0
388.16919	1.6
401.14792	1.6
403.16388	9.0
404.16129	1.1
447.12766	1.6
529.19244	3.0
547.19189	1.2
565.12158	38.8
565.21387	100.0
566.12445	8.3
566.21747	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	565.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28684	0.5
57.03426	1.2
57.92101	0.5
59.01379	15.0
60.99305	12.7
61.98831	47.8
65.00317	1.4
67.01889	0.7
69.61667	2.1
69.62096	2.2
71.01386	6.6
72.99296	1.0
73.02296	0.5
73.02942	3.7
75.00868	0.7
78.95924	1.1
81.03473	0.7
83.01402	1.0
85.02964	2.4
87.00889	1.6
88.00433	0.7
88.98817	100.0
89.02448	8.0
89.99139	1.3
91.01904	67.7
92.02252	2.5
93.03468	1.5
95.01376	0.8
95.73299	0.6
99.00871	1.2
99.92592	4.8
101.02449	4.7
106.99609	0.6
107.01382	1.0
108.02200	5.0
109.02969	9.4
111.00947	0.6
113.02457	2.1
116.92874	55.5
117.01958	3.3
117.03441	0.8
117.92883	4.3
119.05032	1.6
121.02969	2.1
123.04495	3.2
125.02457	1.6
134.03754	1.3
135.00906	27.0
135.04530	1.1
136.01231	1.0
137.02446	2.3
145.02985	3.1
149.02425	0.9
151.00374	2.0
151.04030	0.7
152.01176	4.5
153.01961	19.7
153.05493	3.5
154.02357	0.7
160.01714	3.0
161.02522	0.9
161.04620	0.8
161.09744	1.3
163.00468	0.6
163.04051	1.8
165.05540	1.7
175.04021	4.6
177.01984	0.7
178.99876	73.6
179.10800	2.0
180.00212	4.4
187.04056	0.8
191.05563	0.7
193.05081	1.2
197.00925	40.0
198.01334	2.4
203.10738	0.7
209.11893	2.0
211.07690	0.8
219.06665	0.6
223.09848	1.1
255.03043	1.5
255.15831	0.7
271.02509	2.2
271.06100	2.7
283.02408	0.7
285.04028	1.0
300.02841	4.4
301.03302	1.2
315.07489	1.3
342.13339	1.1
342.63245	0.8
433.28094	1.4
505.33810	2.6
565.15674	56.7
565.23694	8.6
566.16040	10.9
566.23822	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	565.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01089	0.4
59.01377	5.7
60.99337	0.4
61.98832	5.8
63.02391	1.8
65.00329	6.0
68.99805	0.6
69.03440	0.8
69.32056	2.3
69.32488	1.9
71.01385	7.5
72.99307	0.7
73.02924	1.0
75.00880	8.6
83.01392	5.2
85.02959	3.2
87.00879	2.9
87.04501	0.5
88.98826	0.9
89.02468	2.7
93.03468	6.0
95.01397	0.7
95.05014	0.6
97.02970	1.8
99.00892	1.7
101.02454	2.5
105.01911	0.5
107.01403	10.6
107.05020	0.6
108.02187	1.1
109.02975	1.0
111.00908	0.7
113.02474	1.2
117.03448	0.8
119.05042	26.8
120.05379	1.4
121.02995	1.9
121.06636	0.4
123.04543	0.5
125.02477	2.1
129.01938	3.2
131.01424	0.8
131.03514	0.5
135.00883	0.7
136.01703	0.4
137.02425	2.4
139.04021	0.4
141.01978	1.0
143.05048	0.8
145.02962	1.6
148.01711	0.8
151.00391	40.3
152.00679	2.2
155.10835	0.9
159.02988	2.1
161.02411	1.3
161.04616	0.5
161.06046	0.8
161.09706	0.8
161.35571	0.3
163.00392	0.6
163.03983	0.7
163.11275	0.8
164.01157	1.0
165.01978	2.5
165.04124	0.8
165.05522	0.5
166.02737	1.7
169.01428	1.3
175.00401	2.9
177.01961	2.9
177.04066	10.0
178.99855	3.0
179.03470	0.5
179.10820	2.0
181.05109	1.1
181.07184	0.6
181.12367	3.2
185.06134	1.0
187.03996	2.3
189.01935	0.4
193.01396	1.7
193.04990	0.4
195.05046	3.2
199.09682	0.4
203.07071	0.5
207.06569	0.7
211.04018	0.5
223.09833	0.5
225.11320	7.7
226.02646	0.7
227.03473	1.4
227.07132	1.2
229.05051	0.7
243.02979	5.7
244.03401	0.7
254.02171	1.3
255.02975	14.7
256.03250	1.8
271.02524	31.8
271.06094	100.0
272.02921	3.2
272.06458	9.9
281.06656	0.8
285.07693	0.6
295.06052	2.5
296.06558	0.5
299.01920	0.7
300.02759	58.1
301.03201	7.6
313.07187	1.2
385.14990	7.5
386.15311	0.8
387.16562	0.8
388.11615	0.7
403.16211	6.3
404.15189	0.6
447.12943	1.6
448.13705	0.7
485.10950	0.4
487.98822	0.4
519.11853	0.4
565.12134	44.0
565.21436	18.6
566.12561	9.5
566.21906	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	565.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98944	0.2
57.03452	0.3
59.01375	1.9
61.98811	0.6
63.02390	0.3
65.00315	0.5
69.24596	1.5
69.25011	0.6
71.01381	1.8
72.48982	0.2
72.99291	0.3
73.02934	0.4
77.87875	0.2
80.51841	0.2
83.01394	0.5
85.02949	0.7
87.00885	0.8
89.02448	0.9
91.01899	0.6
92.51752	0.2
93.03485	0.3
97.42136	0.2
98.19896	0.3
99.00868	0.6
101.02429	0.5
107.01396	1.3
108.02184	1.8
109.02936	0.7
110.49419	0.2
113.02475	0.3
119.03519	0.2
121.02972	0.4
125.02415	0.4
129.01956	1.0
133.27734	0.2
135.00896	0.8
135.11801	0.6
141.02094	0.2
145.02956	0.3
148.01701	1.3
149.02264	0.2
151.00365	4.7
152.01094	0.2
153.01921	0.7
158.99724	0.2
159.02931	0.5
161.09669	0.4
163.00383	1.1
163.04146	0.2
164.01183	0.5
177.04091	2.1
178.99869	3.0
179.10818	1.3
181.07184	0.5
181.12483	0.2
183.04507	0.4
192.00587	0.3
195.05086	0.9
199.03964	0.8
203.03409	0.3
211.03967	0.3
215.03488	0.6
216.04277	0.6
223.09879	0.2
225.11348	0.8
226.02780	1.1
227.03453	2.0
228.04041	0.4
243.02986	9.1
244.03375	0.7
254.02184	2.0
255.02974	23.5
256.03375	2.3
271.02460	52.4
272.02902	6.0
283.02490	0.3
284.03101	0.3
299.02032	1.7
300.02753	100.0
301.03259	13.9
302.03851	0.4
383.13638	0.3
387.16623	0.8
403.14639	0.4
407.36969	0.2
415.06708	0.4
433.07935	0.4
458.25296	0.2
565.12115	75.2
565.21210	7.0
566.12366	12.8
566.21185	0.9
566.29877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95601	0.3
59.01374	1.9
62.50466	0.3
63.02383	0.7
64.44875	0.3
65.00314	1.0
69.69672	2.1
71.01373	1.2
75.45072	0.3
83.01384	0.4
89.02441	1.6
98.20594	0.4
101.02436	1.1
107.01369	2.1
108.02206	2.4
121.02975	0.5
124.01676	0.5
131.03529	0.8
135.00873	0.8
148.01665	2.5
149.04576	1.8
151.00371	5.3
152.00919	0.4
153.01942	0.3
163.00368	1.3
164.01108	0.9
178.99864	4.8
180.00215	0.4
183.04562	0.4
187.04002	0.3
190.99940	0.3
192.00723	0.4
199.03979	0.9
201.02017	0.4
203.03528	0.4
211.04030	0.7
215.03438	0.9
216.04259	0.7
226.02629	2.1
227.03461	3.9
228.03960	0.4
235.76561	0.3
243.02971	15.0
244.03392	1.6
254.02209	2.1
255.02965	35.3
256.03339	3.5
271.02448	78.5
272.02835	9.2
273.03918	0.3
299.02029	2.5
300.02734	89.8
301.03229	9.9
373.05542	0.3
386.92648	0.3
415.06839	0.9
433.07733	0.5
475.08539	0.5
505.25916	1.5
565.12006	100.0
566.12360	13.2
566.19769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64042	0.5
55.01874	0.7
56.63717	0.6
57.03442	1.2
59.01380	9.3
61.98829	86.6
63.99260	0.7
65.00340	1.3
65.03969	1.6
67.01885	1.2
69.03445	0.7
69.48022	0.9
69.48350	4.3
71.01385	7.2
72.99309	0.7
73.02949	1.5
74.02471	2.0
75.00876	2.5
83.01404	0.9
85.02959	5.2
87.00882	1.5
87.04523	0.8
88.98812	1.3
89.02447	2.8
91.01904	96.2
92.02252	2.8
93.03460	1.6
95.01420	0.9
96.96058	0.7
98.02554	0.5
99.00889	0.5
101.02472	3.7
107.01419	1.2
107.05020	0.8
108.02185	0.9
109.02970	5.5
111.20222	0.5
113.02446	1.9
115.00353	2.9
116.03548	0.7
116.92886	1.0
119.03519	0.9
119.05019	1.6
121.02964	2.2
125.02466	0.8
129.01956	1.0
132.02176	1.6
133.01463	6.8
133.03003	0.7
133.05045	0.6
134.03760	0.9
135.00899	41.9
135.04495	1.7
136.01234	1.6
137.02444	1.7
137.09715	0.7
145.02931	1.6
145.14630	0.5
149.00632	1.3
149.02458	3.5
151.00357	0.7
152.01218	0.8
153.01958	29.7
154.02289	1.4
155.10799	2.6
159.06618	0.5
160.01675	3.3
161.02409	1.4
162.03123	0.7
163.00340	0.5
163.04019	2.9
164.04788	1.6
165.03993	0.8
173.04446	0.5
175.03984	3.3
177.04063	1.8
177.05533	1.2
178.08630	0.5
178.99873	100.0
179.10492	0.5
180.00204	4.9
180.06631	0.7
187.07657	0.7
190.02736	0.8
191.01926	0.9
191.03563	0.8
192.99643	1.3
193.01349	0.6
193.05063	1.2
197.00920	9.4
199.09703	0.6
205.05023	1.6
206.05827	1.7
207.02975	0.9
208.03714	0.6
221.00928	0.6
221.08167	2.0
222.07718	1.5
223.06133	2.8
234.85876	0.5
235.05972	1.0
255.03000	1.5
265.07120	3.8
269.17371	0.6
271.02426	3.3
284.03268	1.3
285.03879	1.5
300.02786	6.5
301.03107	0.7
313.11432	0.9
325.09381	1.0
341.05164	1.4
359.06171	1.9
431.09598	1.6
521.25995	1.5
547.10663	1.9
547.18335	1.6
565.11768	58.9
565.19495	36.5
565.29291	3.5
566.12079	11.0
566.20319	8.9
575.88287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34222	0.3
54.80315	0.3
57.03441	0.7
59.01373	3.7
61.98829	8.1
65.00336	0.3
69.03464	0.3
69.27987	1.0
69.28415	1.6
71.01387	3.4
72.99319	0.3
73.02963	0.8
74.02481	1.1
75.00875	1.5
78.95908	0.9
83.01397	0.6
85.02939	2.0
87.00867	0.9
88.98815	0.7
89.02449	1.7
91.01894	6.0
92.02266	0.3
93.03455	0.5
96.96027	2.3
96.96976	1.4
97.02942	0.3
99.00912	0.5
99.92529	0.2
101.02450	1.7
105.01946	0.2
108.04531	0.2
109.02967	0.6
113.02457	1.2
115.00363	0.4
116.03537	1.6
116.92874	0.7
117.03430	0.4
119.03535	0.3
119.05014	1.6
121.01208	0.4
121.02962	0.9
123.04470	0.3
125.02473	0.5
129.01971	0.5
132.02180	1.0
133.02969	0.4
134.03775	1.5
135.00880	2.0
135.04552	0.5
135.40562	0.3
137.02386	1.2
137.09712	0.3
138.03314	0.2
139.11295	1.0
145.03001	0.9
147.99910	0.5
148.04030	0.2
149.00673	100.0
150.01015	4.8
151.00368	1.6
151.04100	0.3
152.04713	0.2
153.01929	1.6
153.05515	0.3
155.10774	0.9
160.01682	3.6
161.02448	1.4
161.04547	0.5
163.04031	0.9
165.04057	0.6
166.60629	0.3
175.00558	0.3
175.02498	0.6
175.03978	4.0
176.04353	0.3
177.01855	0.5
177.04013	0.7
178.99864	7.0
180.00174	0.6
183.10269	3.1
187.09726	0.3
191.05629	0.3
192.99638	85.3
193.04970	1.6
193.99974	5.2
197.00876	0.9
199.09718	0.4
205.05078	0.3
216.04097	0.3
225.11183	0.4
226.02562	0.3
235.06133	0.5
236.98608	14.1
237.98965	1.0
241.05040	0.3
243.03052	0.5
255.03000	1.5
256.03488	0.3
257.08054	0.3
265.07278	0.4
271.02423	2.7
271.06021	2.5
271.09079	0.5
272.02887	0.5
272.06171	0.3
284.03012	0.4
285.03421	0.5
286.04205	0.4
287.05402	0.3
289.07129	0.3
300.02704	4.7
301.03253	0.6
337.03799	0.7
343.24872	0.4
355.04895	0.7
403.17535	0.7
433.10410	0.2
447.21271	0.3
461.27496	0.6
462.27814	0.9
521.14807	10.9
522.14954	2.0
564.29993	0.5
565.12073	7.6
565.19635	3.9
565.29694	2.4
566.12299	1.4
566.19818	0.7
566.30029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0489
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
53.89117	0.2
62.96405	0.5
69.58035	1.0
69.58456	0.6
75.69650	0.2
78.28358	0.2
78.56538	0.2
78.95907	100.0
79.95753	0.3
96.96048	5.0
96.96970	35.2
98.95620	0.4
111.02017	8.5
112.02432	0.3
118.72141	0.2
120.81651	0.2
120.97003	1.8
136.94005	0.3
138.98039	3.3
150.98019	3.4
158.92554	15.0
162.98232	0.2
164.03561	0.4
168.99146	0.3
174.97986	1.1
176.93590	1.5
192.99030	1.3
211.00127	5.5
241.01176	7.5
242.01465	0.3
251.54709	0.3
259.02277	0.3
262.01053	0.3
272.92734	0.4
272.95673	5.2
280.02258	2.0
281.02435	0.3
305.01801	1.1
319.83685	0.2
320.97830	2.3
323.02847	56.6
324.03220	3.4
378.80960	0.3
380.81000	0.7
383.06421	0.2
384.98465	4.1
402.99496	1.6
420.82059	0.4
421.82245	0.2
422.81802	0.4
565.04785	27.3
566.05164	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	564.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.2
61.98827	100.0
62.98531	0.2
69.36691	0.1
69.37012	0.9
76.59831	0.1
85.21526	0.1
124.31792	0.1
152.74864	0.1
153.30533	0.1
170.84341	0.1
179.00075	0.1
180.72185	0.1
238.24292	0.1
504.33875	0.6
564.36102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.2
59.01373	0.8
61.98828	100.0
63.48301	0.2
70.92993	0.5
73.25758	0.2
75.00944	0.3
80.42782	0.2
84.73877	0.2
98.79990	0.2
104.57423	0.2
112.64392	0.2
118.54523	0.2
135.54367	0.2
166.65921	0.2
271.02557	0.4
300.02872	0.6
381.44119	0.2
502.32770	0.3
562.83051	0.2
564.35065	0.4
565.12476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45060	0.2
59.01378	1.0
61.81475	0.2
61.98827	100.0
65.71738	0.1
71.18301	0.5
75.00874	0.3
78.95888	0.2
175.07959	0.2
175.98027	0.2
247.29015	0.2
271.02710	0.4
300.02979	0.2
483.31403	0.7
544.74945	0.2
564.14838	0.2
564.34937	0.3
565.12372	0.4
565.31543	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91594	0.1
55.39382	0.1
59.01376	0.2
61.98830	100.0
75.04092	0.1
78.41666	0.1
93.79729	0.1
98.20687	0.2
127.37040	0.1
135.52910	0.1
148.98528	0.1
181.84323	0.1
271.02496	0.2
384.55594	0.1
445.18851	0.1
564.35938	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.1
57.03444	0.1
59.01377	2.2
61.98830	100.0
62.98545	0.3
65.00327	0.1
69.37360	0.9
71.01400	0.9
72.99323	0.2
73.02953	0.3
83.01406	0.2
83.25032	0.1
85.02957	0.4
87.00893	0.3
88.98822	0.5
89.02444	0.7
93.03510	0.2
95.01417	0.1
96.96033	0.2
97.02985	0.1
99.00877	0.1
101.02469	0.7
107.01405	0.1
108.02166	0.2
109.02989	0.5
113.02463	0.3
116.92873	0.2
117.03486	0.8
118.03831	0.1
119.03478	0.1
119.05017	0.5
121.02954	0.3
122.03799	0.2
123.04572	0.4
125.02486	0.2
131.03523	0.1
132.02159	0.2
134.03772	0.5
135.00874	0.1
135.04579	0.2
136.04865	0.1
136.57281	0.1
137.02461	0.2
139.11308	0.2
145.02969	4.2
146.03357	0.3
149.04605	0.3
149.06129	0.1
150.03221	0.2
151.00340	0.5
152.01009	0.1
153.02014	0.3
153.05652	0.1
159.04466	0.1
160.01665	1.2
161.02342	0.2
161.04585	0.1
163.04037	0.6
164.04591	0.1
175.04025	1.6
176.04385	0.2
176.90761	0.1
177.01921	0.2
177.03989	0.1
178.99902	0.1
179.03575	0.1
179.05730	0.1
180.00165	0.1
187.04076	0.2
191.05644	0.4
191.07210	0.1
193.05077	0.7
195.06693	0.1
201.11337	0.7
217.05118	0.1
220.48398	0.1
235.06027	0.2
239.16844	0.1
243.03027	0.1
253.14487	0.3
255.02898	0.2
256.03427	0.1
265.07211	0.2
270.73608	0.1
271.02481	0.4
271.06168	0.4
284.03165	0.1
285.04062	0.3
286.04434	0.2
287.05634	0.2
288.05875	0.1
300.02835	0.6
307.08362	0.3
337.09137	0.5
372.15417	0.2
412.61676	0.1
441.13293	0.1
501.13916	2.1
502.14474	0.4
563.29926	0.1
564.24957	0.7
565.11346	0.5
565.23315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.8
58.00593	0.5
58.56905	0.2
58.79261	0.2
59.01376	23.8
60.01710	0.2
60.99301	1.1
61.98827	21.5
63.99260	0.3
69.03448	0.3
71.01383	2.9
71.05019	2.2
71.34244	0.2
71.34590	0.4
72.99305	0.6
73.02948	5.5
75.00865	0.2
78.95896	0.3
81.03460	0.3
83.05006	0.3
85.02965	0.8
87.00888	0.4
87.04510	0.4
89.02439	0.4
93.03486	0.4
96.96008	0.3
99.04505	0.3
101.02454	0.4
113.02528	0.3
117.03453	0.8
119.05028	0.5
121.06532	0.3
121.15680	0.3
123.04501	0.3
124.01675	0.3
125.02482	0.4
137.02458	0.4
145.02946	3.5
146.03384	0.3
151.00430	0.3
161.04488	0.3
163.04024	0.4
165.01947	0.3
168.00729	0.3
171.10257	0.3
191.03781	0.2
191.05663	0.8
204.02266	0.2
245.80804	0.2
255.02924	1.2
256.03439	0.2
267.77695	0.3
283.02435	2.4
284.02997	0.3
285.04047	2.3
327.26935	0.5
334.58157	0.2
339.26953	0.3
341.27402	0.4
343.26553	0.4
351.27005	0.6
353.24774	0.6
355.26529	0.4
358.96100	0.2
365.28613	1.2
367.26315	0.5
369.28143	0.4
379.26443	0.7
381.27969	1.5
382.28287	0.3
395.25842	1.1
397.27554	0.4
399.29034	0.7
409.27557	0.4
414.27127	0.3
425.27084	0.6
426.27243	0.2
430.09439	0.4
431.09796	1.8
432.10239	0.3
434.77390	0.2
443.27884	0.5
457.32840	0.3
485.32684	4.1
486.33002	0.8
503.33765	41.7
504.34091	9.0
521.34705	0.6
563.35944	100.0
564.36310	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37703	0.9
57.03450	1.1
59.01374	51.0
61.98828	82.1
70.16476	4.7
71.01405	1.1
72.25802	0.9
73.02941	1.8
74.96278	1.1
81.96406	1.0
118.91659	1.0
131.32057	1.2
179.59633	1.3
255.02928	3.4
283.02505	7.6
284.02957	1.8
285.04129	6.1
430.09100	2.0
431.09656	6.7
471.31519	2.6
473.31793	1.6
501.32098	6.5
502.32379	2.3
503.33752	100.0
504.34048	20.7
563.14319	1.9
563.35260	12.8
564.34741	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	563.3596
Annotation	Fungicide K 99-5278B
Peak:m/z	Relative Intensity
54.53781	0.3
57.03448	0.5
58.00605	0.3
59.01377	18.0
60.99304	0.7
61.98829	100.0
62.07832	0.2
63.99269	0.3
65.26386	0.3
69.03452	0.5
70.15767	1.0
71.01379	2.9
71.05019	0.3
73.02949	9.5
75.00881	0.7
83.05040	0.5
85.02961	0.4
87.04528	1.1
88.98832	0.3
93.35641	0.3
93.45708	0.2
125.02480	0.6
137.02463	0.4
145.02968	0.4
149.99583	0.4
151.00410	0.6
168.00682	0.4
194.68871	0.3
220.99684	0.3
238.26427	0.3
255.03009	0.7
271.06094	0.8
283.02597	1.6
285.03979	1.3
297.22073	0.3
340.02435	0.3
357.27875	0.3
365.28534	0.7
367.30173	0.3
369.28156	0.4
371.29520	0.4
381.27902	0.6
383.29834	0.6
385.27328	0.4
393.31747	0.5
395.29794	0.5
405.31595	0.3
407.29675	0.7
409.31454	0.6
410.31808	0.4
425.30844	0.4
431.09860	1.0
453.30161	0.5
457.32855	0.3
485.32721	4.5
486.32971	0.8
503.33746	38.9
504.34103	8.3
563.35938	88.3
564.36279	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3599
Annotation	Fungicide K 99-5278B
Peak:m/z	Relative Intensity
57.03207	0.3
57.03456	1.4
58.20754	0.3
59.01379	44.1
60.01705	0.7
60.99324	0.6
61.98831	13.7
71.05025	0.4
73.02945	2.9
78.95923	0.4
83.53918	0.3
86.89840	0.3
89.02450	0.3
91.68253	0.3
96.76408	0.3
101.02473	0.8
105.31709	0.3
116.92787	0.3
126.98206	0.3
130.11487	0.3
227.18698	0.3
255.02989	0.7
264.20422	0.7
283.02527	1.6
283.16916	0.5
285.03864	1.4
287.16489	0.6
297.22357	0.3
301.18100	2.3
302.18311	0.5
315.19675	0.5
327.19537	0.7
341.21274	1.4
347.18777	0.8
351.23361	0.8
361.20282	1.8
365.28540	2.1
369.24365	7.7
370.24719	1.1
375.21869	0.4
381.27863	0.6
385.27411	0.7
387.21622	0.7
395.25912	1.3
401.23538	1.1
409.27463	2.1
410.27771	0.3
411.28918	0.6
413.26971	16.7
414.27307	3.1
427.28531	19.1
428.28882	4.3
429.26218	8.1
430.26636	1.5
431.09546	1.1
445.29401	0.3
457.33340	0.4
471.31100	1.2
473.29050	17.5
474.29404	2.9
487.30661	19.3
488.31247	5.1
489.28818	0.4
503.33694	4.7
504.34006	0.8
563.35913	100.0
564.36279	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51837	0.4
57.03437	0.9
59.01380	44.7
60.01702	0.9
60.99301	0.6
61.98834	16.6
71.05016	0.5
73.02956	2.8
75.00864	0.8
78.95942	0.4
79.76727	0.4
80.22221	0.3
83.21305	0.5
88.98823	0.5
101.02431	0.8
102.17893	0.4
109.06628	0.4
109.56015	0.4
140.48668	0.4
142.22874	0.4
176.58008	0.4
187.76933	0.4
229.74590	0.4
243.81697	0.4
255.02928	1.3
283.02484	2.9
284.02802	0.5
285.03995	2.0
297.22385	0.5
301.18097	2.9
319.19144	0.5
323.23877	0.4
327.19678	1.3
327.26892	0.4
341.21201	1.0
347.18616	0.7
351.23068	0.7
361.20242	2.1
365.24628	0.5
365.28702	2.0
369.24341	8.1
370.24731	2.0
375.21640	0.6
381.28088	1.0
385.27380	0.7
387.21524	0.8
395.26022	1.0
401.23251	1.4
409.27505	2.6
410.27554	0.5
411.29266	0.7
413.26981	19.5
414.27313	3.5
427.28531	20.7
428.29031	3.6
429.26172	8.2
430.09100	0.5
430.26813	1.6
431.09741	1.5
443.28125	0.6
471.31134	1.4
473.29062	17.8
474.29367	4.2
487.30630	20.4
488.31146	5.1
503.33859	4.2
504.34177	0.7
531.33173	0.5
558.76611	0.5
563.35938	100.0
564.36316	21.8
564.45282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39627	0.7
57.03447	1.5
58.00591	3.0
59.01376	100.0
61.76124	0.7
61.98820	3.7
69.51339	0.9
71.01380	38.5
71.29974	1.1
71.36765	0.7
72.01735	1.4
72.99313	2.7
73.02956	1.4
75.00870	1.9
78.95901	1.9
81.60833	0.8
82.73790	0.8
83.01388	1.8
85.02944	8.3
87.00892	3.8
88.98821	1.2
89.02445	63.3
90.02816	0.9
93.03465	2.0
93.20035	0.8
95.01395	2.9
96.96022	7.3
96.96978	2.0
99.00886	1.3
101.02451	21.4
105.01957	0.7
108.02191	0.8
113.02464	17.5
116.92862	2.0
119.03510	26.4
120.03872	0.8
125.02454	2.8
129.01855	1.1
131.03482	2.8
133.02945	1.4
137.02440	2.3
142.44327	0.9
143.03517	6.8
145.02867	0.8
149.00581	0.9
149.04533	2.0
161.02498	1.2
161.04549	11.7
163.04010	1.2
173.04507	1.0
177.01892	1.4
177.04031	2.1
179.05623	92.6
179.07066	5.0
180.05917	3.7
186.30576	0.9
191.05531	1.4
193.05139	0.9
195.06709	1.2
212.42812	0.9
223.06078	1.7
231.39645	0.9
235.44946	0.9
239.00191	1.1
285.04037	1.5
303.04953	0.9
401.10898	1.0
460.67136	1.0
465.10007	1.1
519.28119	1.0
563.15863	4.1
563.24048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54462	0.3
54.26600	0.4
56.05889	0.4
59.01382	3.4
61.98828	100.0
71.36025	0.6
71.36344	0.6
71.99857	0.4
152.41586	0.4
431.10413	0.4
440.72891	0.4
503.33728	80.6
504.34079	17.1
561.57172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21566	0.4
53.69262	0.4
53.79744	0.5
55.01880	0.4
56.81277	0.4
57.03425	1.9
59.01373	8.6
61.98826	5.0
62.94237	0.4
63.02414	0.5
65.00337	0.6
68.99815	0.8
69.03457	1.3
69.69195	2.7
71.00999	0.8
71.01379	9.7
72.99284	1.7
73.02946	1.9
75.00463	0.8
75.00871	8.5
83.01378	2.9
85.02952	7.2
87.00885	3.9
87.04527	0.6
88.98811	0.6
89.02447	3.8
93.03473	1.7
95.01373	1.0
96.96005	1.3
96.96969	1.1
97.02947	1.6
99.00888	3.9
101.02467	3.3
107.01369	0.5
109.02961	0.8
111.00879	1.9
113.02456	3.2
113.99580	5.9
115.00382	3.5
117.03455	0.9
119.03529	0.8
119.05072	0.5
121.02884	0.5
123.04473	0.6
125.02442	1.9
127.00375	2.4
129.01964	4.6
131.03510	1.3
133.02959	1.6
133.10205	0.4
135.04514	1.1
135.11803	1.6
136.01634	0.9
137.02405	2.2
139.00336	0.9
139.11304	2.3
141.01962	1.3
145.02946	1.2
145.89365	0.4
148.87114	0.4
149.00652	0.7
149.04550	0.7
150.01033	0.5
151.00334	2.6
151.03986	1.2
154.04297	0.7
156.00662	0.8
157.01422	2.3
159.02977	2.2
159.04399	0.8
161.02457	4.0
161.04549	0.8
161.09697	2.1
162.02840	0.9
163.00375	0.7
163.04063	0.6
165.01955	1.0
167.05023	0.6
169.01459	0.9
169.06584	2.3
171.04546	0.6
173.02455	0.9
174.01694	4.8
175.02458	1.1
175.03978	0.6
177.04056	15.0
178.04387	0.5
179.05583	0.8
179.10776	8.7
180.11177	0.9
181.12395	1.4
183.04478	3.1
183.07426	0.4
183.10287	2.3
185.06041	2.0
187.03952	1.3
189.01816	0.5
189.05548	1.9
195.05049	2.6
195.79155	0.4
199.03925	0.9
199.13373	0.7
201.05498	0.4
207.06612	0.7
211.03954	2.5
212.04442	0.5
213.05540	2.8
214.02699	1.2
215.03406	1.3
223.09703	2.1
225.11362	1.1
227.03519	5.8
228.03798	0.5
229.05042	1.5
239.03348	1.0
241.05040	0.8
243.02965	1.3
243.12405	2.3
255.02968	50.8
256.03387	5.1
257.04535	2.9
271.84360	0.5
283.02460	99.7
284.02933	14.7
285.04019	100.0
286.04361	10.5
383.13458	9.4
384.13852	1.0
401.14590	11.5
402.14328	0.9
415.19925	0.5
416.07587	0.9
417.08188	8.8
418.08606	1.8
430.09042	20.4
431.09790	68.9
432.04727	0.8
432.10178	9.4
443.15326	1.1
473.10803	0.5
503.17514	3.0
519.08795	1.1
525.49451	0.5
545.19012	1.0
563.13708	36.1
563.19928	48.6
564.14130	6.9
564.20306	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	563.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00698	0.7
52.30103	0.7
55.01878	2.0
57.03448	5.4
58.00578	1.7
59.01374	39.6
59.57848	0.7
61.98827	100.0
65.00336	1.0
68.99817	1.3
69.03458	3.1
69.47649	5.9
71.01380	38.4
72.01704	1.1
72.99312	5.5
73.02945	11.5
75.00872	18.5
83.01377	4.8
83.05074	1.0
85.02953	19.3
87.00885	7.5
87.04544	0.8
88.98801	4.6
89.02451	20.9
89.03006	1.5
93.03443	4.3
94.06619	1.4
95.01408	2.1
95.05054	1.2
97.02953	3.9
97.06578	1.0
99.00880	7.6
101.02445	24.3
107.01380	1.6
108.02179	3.6
109.02983	4.6
111.00885	4.9
111.04507	1.1
113.02460	12.9
115.00327	0.9
115.04056	1.0
115.92043	0.8
116.92867	1.3
117.03467	3.4
117.67010	0.8
119.03515	2.5
119.05038	5.7
121.02946	4.3
123.00907	0.9
123.04541	3.4
125.02446	8.6
129.01964	7.5
131.03497	7.6
132.02162	4.4
133.02959	4.4
134.03749	25.9
135.04602	8.2
136.01686	1.9
137.02431	4.6
137.09749	1.0
138.05571	1.2
141.01938	2.0
145.02969	4.6
147.04501	5.8
148.01701	0.9
148.05328	2.7
149.02466	18.3
149.04498	5.8
149.06056	7.9
150.03242	2.3
151.00386	3.8
151.03973	3.1
152.01175	3.0
153.01929	2.4
155.10794	3.6
158.03734	1.2
159.02965	2.4
160.01671	20.0
161.02483	7.3
161.04546	7.0
162.03239	36.8
163.04031	11.1
163.11285	1.6
164.04805	15.2
165.01955	1.9
165.05594	2.7
167.03464	2.4
173.02388	1.3
173.04610	2.9
173.06013	1.5
175.00401	5.6
175.04008	22.0
176.01140	1.5
176.04790	13.9
177.01956	21.8
177.04054	10.6
177.05580	39.3
178.02705	4.4
178.05975	2.5
179.03539	4.1
179.05737	2.0
179.07159	3.1
179.10806	2.2
181.05115	1.2
181.12378	5.9
182.04611	1.9
182.12518	1.0
187.04037	1.1
188.04895	1.0
189.01991	1.1
190.02704	15.8
191.02077	1.2
191.03677	7.2
191.05579	6.6
191.07161	15.4
192.04300	21.8
192.05963	1.6
192.07451	1.1
193.01385	1.2
193.05054	34.3
194.05423	2.2
195.05077	6.6
203.07071	1.3
205.05064	14.2
206.05817	11.2
207.03041	2.5
207.06624	43.1
208.03807	3.7
208.06978	3.4
209.04474	2.4
209.15485	2.6
211.07770	1.1
217.01128	1.0
217.05063	3.4
220.03757	2.5
221.04694	1.0
221.08229	11.0
222.05336	1.3
223.06107	23.8
224.06464	1.1
225.11348	3.8
227.03485	1.9
229.05092	1.9
235.06099	42.1
236.06712	1.9
237.07623	4.6
245.08234	1.1
247.06139	2.4
250.04756	4.1
251.05519	1.5
255.02992	5.0
259.06122	1.7
259.72217	0.9
265.07132	62.1
266.07401	5.2
271.06122	2.0
281.06650	4.8
283.02493	8.5
284.03180	2.3
285.04041	15.9
286.04370	1.3
287.05670	4.0
288.05786	1.2
289.07117	1.6
295.08215	48.9
296.08563	4.8
311.07791	2.3
313.11282	1.6
325.09286	27.8
326.09634	1.7
341.06378	1.2
355.10510	3.1
371.09955	0.9
371.20673	10.5
372.21136	1.4
385.10764	4.2
385.15198	3.4
403.16040	1.0
430.09363	1.3
431.10016	5.7
473.16501	2.7
473.66898	4.3
474.17035	3.1
501.13916	2.5
503.24915	50.8
504.25278	8.6
527.17908	1.6
545.12653	1.9
562.69354	2.9
563.19995	32.6
563.27258	3.4
564.20508	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	563.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
56.88489	0.3
57.03445	1.3
59.01371	2.3
68.99814	0.6
69.03455	0.6
70.11429	1.2
71.01389	6.7
72.99301	1.2
73.02953	3.8
74.56687	0.3
75.00879	0.4
78.95917	1.9
81.03467	0.4
83.01366	1.6
85.02955	4.3
87.00883	25.8
88.01232	0.9
89.02438	0.5
95.01402	3.5
96.96014	1.1
96.96964	1.2
97.02973	0.7
99.00887	6.0
100.01702	0.6
101.02446	2.7
109.02960	0.7
111.00906	4.9
112.98821	6.3
113.02452	1.3
115.00375	1.3
115.76364	0.3
117.01978	0.6
121.02974	0.3
123.00899	6.4
124.01656	1.4
125.02428	1.2
127.04002	0.8
129.01932	2.4
131.03523	0.7
133.01418	1.1
133.02855	0.3
135.04544	0.5
137.02484	0.7
138.03235	5.0
142.99886	4.8
145.01450	2.3
145.02933	0.5
147.02983	0.6
147.04539	0.6
149.02466	1.2
151.00369	1.3
151.04013	0.9
153.01930	0.5
153.05583	7.0
161.02472	6.3
162.03146	0.5
163.04036	4.8
164.04794	4.1
165.05573	0.9
165.38103	0.3
166.02740	3.4
167.03346	0.4
173.00935	27.6
174.01645	6.9
174.03226	1.6
175.00378	0.4
175.02040	0.4
175.04001	2.3
176.01198	0.3
176.04810	7.4
177.01955	0.9
177.05473	1.2
178.06361	7.7
179.03520	9.3
179.07133	8.2
180.03944	0.5
180.07539	0.9
181.05083	4.4
186.03151	0.6
187.03983	0.7
188.04814	1.0
189.05527	1.1
190.02753	1.8
190.06421	0.8
191.03513	6.4
191.07132	4.9
192.04250	1.0
192.07669	0.4
193.05086	1.0
193.08705	11.4
194.05852	12.1
194.08896	0.7
195.06306	0.9
201.05496	0.4
202.02699	0.4
202.06325	0.5
203.03522	3.9
203.07117	1.0
204.04237	1.3
205.01343	0.6
205.05032	4.2
205.08714	0.5
206.05855	5.2
207.02994	0.6
207.06595	1.5
209.08197	17.7
210.08498	1.1
215.03555	0.5
217.05124	0.7
218.05850	2.6
219.03024	3.8
219.06606	1.1
220.03676	1.2
221.04514	1.0
221.08203	7.8
222.05411	0.5
222.08421	0.5
223.06230	0.4
229.01369	0.7
230.02141	0.4
231.03017	1.3
231.06593	0.4
232.03854	0.4
233.04521	1.1
233.08147	2.0
234.05318	3.6
235.06030	1.4
236.06911	0.7
237.07657	1.4
237.09886	0.3
238.04747	0.3
244.03693	0.4
245.04539	1.2
246.01666	0.7
246.05316	1.1
247.02477	6.5
247.06081	0.9
248.02788	0.5
249.03880	0.6
249.05086	0.5
249.07689	8.2
250.04753	0.7
250.07932	0.6
251.09204	1.0
259.06174	0.5
260.06799	0.4
261.04016	3.9
261.07510	0.9
262.04794	11.0
263.05182	1.1
264.06393	1.5
265.07153	12.0
266.07690	1.3
275.05292	0.4
276.06339	4.0
277.07156	30.6
278.07510	3.4
279.08630	1.0
281.00101	0.5
285.04047	0.5
291.08737	2.3
295.08078	1.9
303.05139	1.1
309.09845	0.9
325.09241	1.3
335.06256	1.0
337.09271	29.3
338.09595	3.3
383.09818	2.9
384.10208	0.4
427.12473	2.4
428.12842	0.5
439.12372	2.0
457.13287	0.6
523.27240	0.4
563.16211	100.0
564.16534	16.6
572.54419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40593	0.3
52.47040	0.2
61.21952	0.3
63.02414	0.3
65.00343	0.3
69.46928	0.2
69.51881	2.4
69.52219	0.5
76.22174	0.3
83.01385	0.4
93.03494	0.8
107.01423	0.9
109.02951	0.3
117.03479	0.8
124.00993	0.3
143.05113	0.3
151.00395	1.8
155.05035	0.4
159.04530	0.6
167.05077	0.4
169.06599	1.2
171.04514	0.8
183.04535	3.2
185.02560	0.3
185.06070	0.8
187.03995	0.7
189.05598	0.7
211.04013	2.6
212.04503	0.4
213.05583	1.1
214.02681	0.6
215.03432	0.7
227.03494	3.5
228.04134	0.3
229.05016	0.7
239.03470	0.5
241.05045	0.3
242.88742	0.3
243.03040	0.5
255.02971	48.3
256.03305	4.4
257.04523	0.9
283.02469	100.0
284.02914	10.1
285.04037	36.6
286.04391	2.5
416.06912	0.4
417.08258	6.5
418.08627	1.1
430.09036	22.6
431.09796	27.6
432.10114	3.7
563.14093	59.1
564.14484	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	563.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.4
61.63525	0.3
63.02406	0.5
65.00050	0.4
65.00341	0.6
67.18818	0.3
67.84205	0.3
69.46098	2.9
75.00880	0.5
83.01403	0.8
90.22900	0.3
93.03474	1.1
93.36633	0.3
98.19891	0.6
107.01404	0.6
110.40169	0.3
113.20715	0.3
117.03435	0.8
135.00941	0.4
143.05025	0.8
145.02971	0.3
151.00369	2.0
154.04256	1.1
155.05035	0.7
159.04497	1.3
163.00395	0.6
165.01917	0.6
167.05032	0.6
169.06569	2.1
171.04478	0.8
173.02393	0.6
177.03986	0.4
182.03807	0.4
183.04530	2.9
185.02461	0.4
185.06093	1.8
187.04007	1.8
189.05553	1.7
195.04720	0.5
195.37120	0.3
199.04022	0.7
211.03963	3.1
213.05545	2.7
214.02733	1.0
214.05786	0.6
215.03401	1.2
227.03496	4.9
228.04066	0.4
229.05046	1.3
239.03372	0.8
241.04933	0.9
243.02855	1.6
253.47452	0.3
254.29134	0.3
255.02959	45.4
256.03336	5.1
257.04562	2.3
283.02457	100.0
284.02893	13.9
285.04016	80.6
286.04382	8.3
299.02362	0.5
350.30026	0.3
401.14346	0.4
417.08374	2.8
418.08676	0.7
430.09015	20.5
431.09784	74.1
432.10120	13.3
563.14026	34.7
564.14307	7.6
564.22485	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96529	0.2
55.01889	0.2
57.03462	0.3
59.01381	7.4
61.98832	19.0
63.02404	0.4
65.00318	0.3
67.01894	0.2
68.99831	0.2
69.03471	0.2
71.01382	3.2
72.99316	0.4
73.02954	1.6
75.00891	0.3
81.03477	0.2
83.01402	0.9
83.05037	0.4
84.18216	0.2
85.02961	1.8
85.91749	0.2
87.00901	0.6
87.04545	0.3
88.98817	0.7
89.02444	1.1
91.01936	0.5
93.03468	3.8
95.01397	0.2
97.02997	0.2
99.00916	0.3
101.02467	2.1
107.01393	1.8
108.02203	0.3
109.03000	1.1
111.00843	0.2
111.04539	0.2
113.02473	0.9
117.03484	11.3
118.03825	0.4
118.19334	0.2
119.03552	0.4
119.05038	4.5
119.88203	0.2
121.02959	0.5
122.14887	0.2
122.41466	0.2
123.00904	0.6
123.04558	0.4
124.01685	0.7
125.02463	1.8
127.04018	0.2
130.04266	0.3
131.03516	0.2
131.05034	0.5
132.02190	0.2
133.03026	0.2
134.03783	0.3
135.00928	0.9
135.04544	1.1
137.02452	1.1
139.12965	0.2
143.05103	1.2
145.02974	41.4
146.03290	2.0
149.99612	1.1
151.00385	0.9
151.04013	0.6
153.01956	0.9
154.04248	0.3
155.05043	0.5
157.06627	0.7
158.03847	0.3
159.03252	0.3
159.04504	1.6
160.01654	0.6
160.05014	0.2
161.02417	0.4
161.04564	0.6
161.06015	0.4
163.00424	2.4
163.04024	5.7
164.01056	0.3
165.01985	0.7
167.05051	0.8
168.00677	1.4
169.01498	0.4
169.06644	1.2
171.04518	0.7
173.04567	1.6
173.06041	0.4
174.03264	0.3
175.04036	1.0
177.01945	0.3
179.03580	0.3
182.03674	0.2
183.04485	0.7
185.06090	2.9
187.04025	3.6
188.04306	0.3
189.01978	0.3
189.05515	1.1
191.05624	2.7
193.04968	0.2
195.04547	0.8
196.05351	0.3
197.06099	1.1
199.04044	0.9
201.05524	0.8
205.05064	0.4
211.04030	1.9
211.07600	0.7
212.04668	0.3
213.05609	2.3
214.02643	0.4
214.06190	0.2
215.03377	0.4
215.07138	0.4
223.03981	0.4
224.04710	0.3
227.03519	4.3
228.03905	0.5
229.05061	12.9
230.05396	0.9
239.03503	1.8
240.04286	1.0
241.05002	1.4
243.03003	0.6
255.02994	6.2
256.03659	1.4
257.04547	6.2
258.04825	0.5
267.02975	1.0
271.06204	1.0
272.06454	0.4
273.06778	0.4
283.02472	3.2
284.03247	3.4
285.04047	100.0
286.04385	9.7
286.07623	0.3
327.21829	0.3
371.14743	0.4
371.20673	0.4
398.75165	0.2
399.07126	0.6
417.08295	0.3
430.08847	0.3
431.09918	1.1
457.07681	0.3
457.57632	0.4
503.24698	0.8
503.32184	3.6
504.32248	0.4
545.19562	0.5
546.19910	0.3
562.35120	0.3
563.12506	2.7
563.21204	1.4
563.28473	22.4
564.12164	0.6
564.20508	0.3
564.28973	4.6
564.36371	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91158	0.1
57.03443	0.5
59.01380	4.1
59.58382	0.1
61.98831	24.5
63.02413	0.3
65.00326	0.3
67.01888	0.2
67.28625	0.2
71.01386	2.8
72.01767	0.2
72.99316	0.4
73.02959	0.6
75.00885	0.3
79.01897	0.2
83.01406	0.5
85.02952	1.2
87.00902	0.5
88.98811	0.4
89.02446	1.5
91.01917	0.6
93.03466	2.8
93.04031	0.3
95.01385	0.3
97.02992	0.3
99.00918	0.4
101.02446	1.6
102.02780	0.2
107.01384	1.7
107.04998	0.2
108.02212	0.2
109.02971	1.4
109.86812	0.1
111.00903	0.1
111.04523	0.3
112.73848	0.1
113.02460	0.8
116.92890	0.3
117.03443	0.9
119.01424	0.3
119.03511	0.5
119.05052	1.3
121.02963	0.5
123.00932	0.3
123.04541	0.2
124.01701	0.2
125.02492	0.9
131.05025	0.4
132.02223	0.4
133.02977	0.3
134.03729	0.5
135.00896	1.3
135.04552	0.5
137.02478	1.9
140.33693	0.1
141.07149	0.3
143.03453	0.2
143.05072	1.3
145.02980	2.5
146.03302	0.3
147.04611	0.2
149.06139	0.2
149.99655	0.2
150.03297	0.2
151.00404	1.1
151.04012	0.3
153.01996	0.9
154.04262	0.4
155.03539	0.1
155.05054	0.3
155.10945	0.2
157.06622	1.0
159.03174	0.3
159.04507	2.0
160.01662	1.2
161.02393	0.7
161.04587	0.6
161.05891	0.2
161.09738	0.3
162.03258	1.2
163.00412	2.3
163.04028	0.8
164.00890	0.2
165.01958	0.6
167.05055	0.5
168.00696	0.3
168.05798	0.2
169.01498	0.3
169.06657	0.9
171.04497	0.9
173.02370	0.2
173.04555	0.9
173.05983	0.3
174.03334	0.2
175.04007	1.5
177.01982	0.5
177.05566	2.0
179.03474	0.2
179.05592	0.7
179.10823	0.5
182.03755	0.3
183.04538	0.9
184.05196	0.2
185.02533	0.2
185.06105	3.0
187.04018	3.5
187.07645	0.2
188.04451	0.3
189.01994	0.3
189.05571	1.1
191.03659	0.3
191.05609	2.2
193.05124	0.3
195.04494	0.8
196.05296	0.2
197.06073	0.8
199.04025	0.9
200.04634	0.2
201.05603	0.6
203.10782	0.6
211.04028	2.3
211.07657	0.6
212.04739	0.3
213.05589	2.0
214.02692	0.5
214.05914	0.3
215.03560	0.5
221.11972	0.2
223.03984	0.3
223.09694	0.4
224.04814	0.2
227.03494	5.3
228.03989	0.6
229.05051	13.2
230.05360	0.9
233.11723	0.2
239.03508	1.4
240.04263	0.8
241.05064	1.9
242.05632	0.2
243.02979	0.4
255.02985	6.8
256.03598	1.7
257.04553	7.2
258.04865	0.5
267.02908	1.1
268.03479	0.2
271.06204	0.3
277.07114	0.3
283.02496	3.3
284.03253	5.4
285.04037	100.0
286.04385	10.4
287.05618	0.2
289.07321	0.3
299.16443	0.3
325.12820	0.3
327.16086	0.4
345.17075	0.3
371.15012	1.3
373.25836	0.2
389.16098	0.2
399.07111	0.9
400.07712	0.3
401.25150	0.3
417.08292	1.7
418.09161	0.2
430.08832	0.2
431.09537	0.9
457.07593	0.3
457.57797	0.3
502.31320	0.2
503.13385	0.2
503.25220	0.4
503.32376	0.7
515.08423	0.1
545.20715	0.3
563.12085	5.0
563.20715	0.5
563.27698	0.3
563.61896	0.2
564.12000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3438
Annotation	Amphidinolide B
Peak:m/z	Relative Intensity
51.50171	1.1
59.01377	54.5
60.99301	1.6
61.98827	6.4
62.98133	1.1
63.68707	1.1
64.20499	1.2
73.02959	3.3
78.95940	1.9
82.66499	1.3
110.34103	1.3
121.82831	1.1
151.00354	1.2
152.99530	1.3
301.18021	10.0
302.18530	1.5
343.26682	1.7
355.26474	1.9
361.20135	7.9
369.24429	4.0
371.26044	1.6
381.28046	8.1
382.28345	1.9
383.25983	5.1
395.25406	1.7
397.27515	6.9
399.29190	8.6
401.23364	1.6
425.26978	10.6
426.27322	1.6
427.28506	2.5
429.27020	1.6
443.28021	63.0
444.28281	11.8
461.29019	1.3
487.30685	2.1
501.32178	3.1
503.29959	14.6
504.30539	2.5
561.34387	100.0
562.34717	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	562.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85550	0.1
57.52795	0.1
58.88375	0.1
59.01377	2.5
61.98830	100.0
62.98522	0.2
64.58529	0.1
68.92387	0.1
71.65138	0.2
73.02969	0.3
75.00886	0.1
80.53174	0.1
81.02187	0.1
83.05040	0.1
91.03643	0.1
118.18490	0.1
128.99876	0.2
163.69662	0.1
168.46574	0.2
222.22826	0.1
226.81450	0.1
283.02502	0.3
285.04016	0.2
309.52545	0.1
325.48645	0.1
428.28812	0.2
431.09857	0.3
453.29968	0.2
471.31503	0.2
472.31693	0.3
501.31726	0.4
502.32596	1.8
503.33798	21.4
560.62372	0.1
562.34625	2.5
563.32471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.5
61.98830	100.0
69.53955	0.9
69.54362	0.2
73.02956	0.2
80.92668	0.1
102.62449	0.2
120.31201	0.2
132.04700	0.2
150.60760	0.2
185.05864	0.2
285.04025	0.2
398.28192	0.2
421.92502	0.2
428.29044	0.2
458.29971	0.2
471.31116	0.2
472.31409	0.9
496.68936	0.2
501.32190	0.6
502.32474	1.8
503.33569	1.7
562.34833	2.0
563.34827	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
59.94697	0.2
61.98832	100.0
71.20402	0.4
81.80276	0.2
100.87908	0.2
148.50650	0.1
271.77032	0.2
283.02579	0.3
306.57257	0.2
365.26929	0.3
431.10022	0.2
440.58215	0.2
471.31134	0.2
472.30997	0.2
501.32147	0.3
502.32568	1.8
503.33737	0.4
562.34735	1.6
563.35022	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01377	4.7
60.99305	15.3
61.98828	19.4
63.02393	0.6
65.00330	0.8
69.30435	2.7
71.01384	2.5
72.06796	0.3
72.99327	0.3
73.02930	0.5
83.01395	0.8
85.02960	1.3
85.99609	0.3
88.98812	100.0
89.02438	1.4
89.99124	1.2
91.01916	0.6
93.03452	1.8
99.00890	0.4
101.02464	1.9
107.01408	2.0
109.02975	1.2
113.02468	0.8
116.92840	0.3
117.03461	0.6
119.03536	0.5
119.05029	0.6
123.04500	0.4
123.65562	0.2
125.02443	0.6
130.04234	0.3
131.03554	0.4
132.02179	0.7
134.03738	1.1
135.00906	0.8
135.04529	1.9
137.02457	0.7
143.05048	1.0
145.02948	1.2
149.04517	0.3
151.00397	2.7
154.04214	0.3
155.05103	0.4
157.06604	0.8
158.03792	0.3
159.04510	1.7
160.01685	2.9
161.02466	0.5
161.04567	0.6
163.00401	2.4
163.04042	0.4
165.01970	0.8
165.21655	0.3
167.04950	0.4
169.06598	0.7
171.04546	0.8
173.02429	0.3
173.04622	0.5
173.06073	0.2
175.04008	3.6
179.05602	0.5
183.04520	0.6
184.05267	0.3
185.06136	2.5
187.04037	2.6
187.07593	0.3
189.05574	1.0
190.99977	0.3
191.05565	0.5
193.05045	0.8
195.04497	0.5
196.05293	0.4
197.06068	0.5
198.03122	0.3
199.02348	0.3
199.04025	0.7
201.05617	0.3
211.04080	1.4
212.04694	0.4
213.05518	1.9
215.03542	0.5
223.04060	0.3
227.03500	3.6
228.03954	0.4
229.02763	0.6
229.05046	10.3
230.05391	0.7
235.05984	0.4
239.03456	1.3
240.04263	0.6
241.04962	1.0
243.02919	0.4
255.02975	3.9
256.03741	1.3
257.04568	6.0
258.04816	0.3
267.02896	0.7
283.02429	1.1
284.03171	2.7
285.04037	83.6
286.04379	7.6
287.05600	2.4
337.09448	0.7
371.20663	0.4
395.84622	0.3
431.09818	0.8
473.10828	1.3
502.31107	0.4
503.25128	1.8
503.31729	0.5
504.25232	0.3
563.11731	1.3
563.24194	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	561.3438
Annotation	Amphidinolide B
Peak:m/z	Relative Intensity
57.03447	0.8
59.01381	37.2
60.01718	0.7
60.99305	0.6
61.27531	0.3
61.98830	23.3
71.05024	0.6
72.99336	0.6
73.02953	4.5
75.00887	0.5
78.95898	0.4
83.05014	0.6
149.06079	0.3
149.42525	0.3
255.17482	0.9
279.36560	0.4
283.16943	1.4
287.16544	2.1
301.18109	17.2
302.18420	2.1
303.19727	0.7
315.19522	1.2
319.19019	0.7
327.19495	0.4
329.21124	0.4
341.21207	1.1
347.18604	4.5
361.20157	10.6
362.20581	1.0
365.28357	0.7
369.24365	1.4
375.21915	0.5
383.25830	2.8
384.26001	0.7
387.21481	0.5
394.20029	2.4
399.29062	1.1
401.23230	1.5
409.27444	1.3
427.28510	11.6
428.28726	2.4
429.26306	0.8
441.30023	1.2
443.28085	2.2
469.29495	1.5
470.29892	0.7
483.31406	1.8
487.30573	5.8
488.30872	1.1
489.81393	0.4
501.32086	15.3
502.32333	2.7
529.31671	1.5
543.33142	1.3
561.34326	100.0
562.34674	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03445	1.7
58.00592	0.7
59.01377	16.8
60.99311	0.4
61.98829	30.5
69.03452	0.6
71.01382	20.0
71.59446	0.4
72.99323	1.0
73.02951	5.8
75.00887	0.6
81.03468	1.0
83.01389	2.9
83.05016	0.5
85.02957	9.3
85.03457	0.6
87.00877	1.2
87.04517	0.5
88.98841	1.0
89.02449	7.3
89.03976	0.3
93.03472	0.9
95.01392	1.6
95.04981	0.3
97.02959	1.1
99.00877	2.6
99.04536	1.1
100.13021	0.2
100.27277	0.3
101.02451	15.2
102.02803	0.4
108.02178	0.7
109.02960	0.9
111.00874	0.4
113.02464	8.0
116.92880	0.3
117.03479	29.1
118.03824	1.6
119.03584	2.3
119.05034	9.5
120.05370	0.6
121.02989	0.8
123.00915	0.4
123.04528	1.2
124.01611	0.5
125.02460	2.2
131.03510	1.1
132.02222	0.4
133.03006	0.6
134.03781	1.3
135.04530	0.5
137.02466	1.2
143.03526	1.2
145.02965	100.0
146.03302	5.4
147.04520	0.6
149.04527	1.0
151.00429	0.4
151.04019	0.7
159.02977	1.5
160.01636	3.0
161.02518	0.6
161.04587	8.3
161.06053	0.7
161.13307	0.3
162.03261	0.3
163.04022	12.9
164.04350	0.8
165.05544	0.3
167.03502	0.4
167.99124	0.3
168.00662	0.3
171.10278	1.1
173.04533	0.3
175.04021	4.0
177.01958	1.4
177.05630	0.3
179.05656	2.0
183.13968	0.4
189.01973	1.4
191.03540	0.4
193.05077	1.2
205.05110	0.5
209.11855	0.5
216.00650	1.3
217.01360	1.4
227.12834	0.8
229.01424	0.4
259.05954	0.3
263.07275	0.3
265.07294	0.4
271.06104	1.3
281.57065	0.3
289.07208	0.7
301.07156	0.6
307.08182	0.5
313.07062	0.6
339.25418	0.4
341.06586	0.5
369.19116	0.6
399.23947	3.1
400.23883	0.4
406.46030	0.3
419.11371	1.6
420.11618	0.6
501.23215	3.3
501.30945	5.3
502.23639	0.4
502.31461	1.4
543.16418	1.2
561.27191	61.0
562.27533	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	561.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.3
57.03458	0.7
59.01379	10.3
60.91392	0.2
60.99331	0.3
61.98833	24.0
69.03453	0.6
71.01385	3.5
71.05017	0.2
71.65388	0.4
72.99340	0.7
73.02950	2.1
75.00889	0.6
78.95885	0.2
81.03468	0.6
83.01415	0.9
83.05032	0.9
85.02969	2.0
86.03261	0.3
87.00932	0.4
87.04528	0.3
88.98817	0.4
89.02451	1.7
93.03475	0.7
95.01393	0.4
96.96026	0.3
97.02979	0.5
97.06572	0.3
99.00896	0.5
99.04514	1.2
101.02467	2.3
107.01447	0.3
108.02206	0.3
109.02966	0.7
111.00902	0.2
113.02492	1.5
117.03485	29.4
118.03776	1.4
119.03656	0.6
119.05047	10.2
120.05370	0.4
121.02969	0.6
123.04550	0.6
125.02456	1.2
132.02176	0.5
133.02931	0.4
133.06606	0.4
134.03737	0.8
135.04555	0.5
137.02475	0.8
145.02974	100.0
146.03311	5.7
147.04556	0.3
149.02443	0.3
151.00423	0.5
151.04095	0.3
155.10733	0.3
160.01698	2.1
161.02386	0.4
161.04594	1.0
161.06020	0.6
163.04030	12.2
164.04347	0.9
165.02011	0.3
171.10341	0.5
175.04015	1.9
176.04628	0.3
177.01927	0.7
179.05615	0.4
179.10776	0.6
189.01964	0.9
191.05588	0.3
193.05051	0.9
199.03960	0.3
205.05046	0.6
209.11891	0.4
235.06097	0.6
265.07013	0.3
271.06061	0.6
273.07605	0.4
289.07089	0.5
307.08221	0.3
337.09311	0.4
341.06906	0.4
433.14093	0.3
437.12360	0.3
501.32205	6.0
502.32318	0.5
561.27008	56.4
561.34406	8.6
562.27350	11.6
562.34882	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	561.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.54389	0.6
57.03444	3.6
57.13158	0.6
58.00583	4.0
59.01374	97.1
60.01712	0.8
61.98827	5.3
69.03461	1.1
69.27133	6.4
71.01379	59.0
72.01723	0.9
72.99301	3.2
73.02940	5.9
74.02468	2.3
74.60570	0.7
75.00873	3.8
81.03472	0.7
83.01385	4.5
85.02952	14.1
87.00871	3.6
88.98834	0.7
89.02445	100.0
90.02778	1.3
93.03458	2.0
95.01381	1.2
95.05054	1.2
96.96014	1.5
96.96972	1.3
97.02946	3.3
99.00874	6.8
99.04520	0.7
99.92574	1.5
101.02450	42.2
103.46568	0.7
104.18426	0.6
107.05000	0.9
109.02964	7.1
111.00896	1.5
113.02462	13.3
115.00381	0.7
116.03540	2.4
116.92846	5.1
119.03493	8.0
119.05021	1.0
121.02943	1.7
123.04550	4.9
125.02460	13.1
126.02815	1.4
129.01970	5.4
131.03511	60.6
132.03867	1.6
133.02954	1.5
135.04527	1.2
137.02455	7.8
137.09750	2.1
139.04033	1.0
143.03494	1.7
145.02985	0.7
147.04448	0.8
149.02504	2.4
149.04564	96.5
150.03142	0.8
150.04918	2.5
151.00337	1.7
151.04037	3.0
153.01932	1.6
159.03055	0.6
159.04512	1.2
161.02469	1.8
161.04619	1.3
161.06064	2.1
163.00374	1.0
163.04027	1.4
163.39073	0.7
164.01175	3.6
165.01904	2.3
167.03534	0.9
173.06032	1.0
175.04016	1.1
177.01944	1.7
177.04036	2.5
177.05542	1.0
178.99951	0.9
179.03429	1.8
179.05574	1.6
179.10802	2.2
187.03989	1.9
188.04842	0.7
191.05618	40.3
192.06030	1.8
195.05109	1.5
198.87936	0.7
203.07149	3.9
205.05029	2.6
221.06546	5.2
225.11247	1.1
226.06265	0.8
245.08261	3.8
246.08449	0.7
249.06325	1.1
251.07730	5.2
263.07611	0.9
269.04425	0.9
270.04901	0.9
271.06119	3.9
273.07797	1.2
274.20486	0.7
281.08682	1.6
287.05453	0.9
289.07150	31.3
290.07437	4.4
291.07675	1.2
293.08667	1.9
303.61316	0.7
311.09799	5.6
399.10614	1.7
407.07776	1.4
408.07895	0.7
435.10181	2.8
447.09250	0.9
459.25839	1.9
473.16467	2.4
501.28046	0.7
543.02032	2.0
561.03345	1.7
561.13208	7.9
561.19336	2.0
561.25806	1.5
562.18488	3.0
562.27954	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	561.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96266	0.6
54.02480	0.6
54.83852	0.6
55.01952	2.2
55.63727	0.7
57.03526	4.0
58.00646	1.7
59.01119	4.8
59.01450	40.2
61.98903	44.5
64.57027	0.7
69.03516	1.1
70.71169	0.8
71.01031	3.0
71.01464	34.8
71.56244	0.8
72.99384	1.4
73.03030	8.3
75.00947	1.4
83.01407	4.0
85.02955	14.7
87.00887	6.0
88.98861	1.1
89.02449	21.3
91.91196	0.7
93.03455	3.4
95.01468	2.1
95.05090	1.3
96.96085	0.8
97.03027	2.4
99.00910	3.7
99.04565	1.1
101.02451	30.4
102.02855	1.1
105.01984	1.5
107.01441	1.6
108.02240	1.0
109.03004	1.6
109.06620	1.3
111.00974	1.6
113.02460	15.2
117.03476	3.5
119.03525	9.5
119.05028	5.5
121.02970	5.2
121.06660	0.9
123.00964	0.8
123.04611	2.7
123.08229	0.9
125.02475	6.5
129.02019	1.0
131.03514	4.8
132.02191	20.5
133.03011	2.8
134.03757	30.8
135.04559	3.2
137.02463	5.3
137.09819	0.9
139.04042	1.3
142.30421	0.8
143.03563	3.0
145.02995	4.9
147.04541	1.5
147.08199	2.2
149.02536	1.1
149.04602	6.2
149.06039	4.8
151.00400	6.3
151.04022	2.0
151.11259	0.9
153.01970	0.8
153.09235	1.4
159.03020	1.1
160.01672	93.3
161.02037	5.9
161.04547	10.1
161.05922	1.1
163.11308	23.9
164.11662	2.0
165.01987	1.4
175.04010	100.0
175.11288	4.2
176.04399	6.7
177.01950	1.6
177.05496	1.0
177.12799	0.8
178.02728	1.2
178.99876	3.1
179.03474	1.3
179.05609	12.9
179.10875	5.5
187.11302	2.4
191.05672	1.6
191.07146	2.4
193.05063	28.9
194.05394	1.3
196.11688	0.9
205.04997	2.0
205.12335	12.5
207.06538	0.8
209.11800	2.7
220.89859	0.8
221.06674	3.5
223.13280	1.6
235.06131	5.5
236.06572	0.9
265.06918	2.6
271.06061	9.2
289.06784	1.6
295.07968	2.9
303.05054	0.7
306.79257	0.7
325.19879	2.0
333.98090	0.7
337.09290	37.1
338.09500	3.5
339.18188	3.6
369.18842	1.5
397.11377	29.2
398.11703	3.9
399.23901	8.3
501.22226	17.1
501.29688	7.4
502.22626	3.4
502.29605	1.5
517.20685	11.7
518.19904	2.0
543.22253	30.8
543.29565	1.6
544.22772	5.4
561.22363	26.5
562.22687	5.0
585.36292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96266	0.6
54.02480	0.6
54.83852	0.6
55.01952	2.2
55.63727	0.7
57.03526	4.0
58.00646	1.7
59.01119	4.8
59.01450	40.2
61.98903	44.5
64.57027	0.7
69.03516	1.1
70.71169	0.8
71.01031	3.0
71.01464	34.8
71.56244	0.8
72.99384	1.4
73.03030	8.3
75.00947	1.4
83.01407	4.0
85.02955	14.7
87.00887	6.0
88.98861	1.1
89.02449	21.3
91.91196	0.7
93.03455	3.4
95.01468	2.1
95.05090	1.3
96.96085	0.8
97.03027	2.4
99.00910	3.7
99.04565	1.1
101.02451	30.4
102.02855	1.1
105.01984	1.5
107.01441	1.6
108.02240	1.0
109.03004	1.6
109.06620	1.3
111.00974	1.6
113.02460	15.2
117.03476	3.5
119.03525	9.5
119.05028	5.5
121.02970	5.2
121.06660	0.9
123.00964	0.8
123.04611	2.7
123.08229	0.9
125.02475	6.5
129.02019	1.0
131.03514	4.8
132.02191	20.5
133.03011	2.8
134.03757	30.8
135.04559	3.2
137.02463	5.3
137.09819	0.9
139.04042	1.3
142.30421	0.8
143.03563	3.0
145.02995	4.9
147.04541	1.5
147.08199	2.2
149.02536	1.1
149.04602	6.2
149.06039	4.8
151.00400	6.3
151.04022	2.0
151.11259	0.9
153.01970	0.8
153.09235	1.4
159.03020	1.1
160.01672	93.3
161.02037	5.9
161.04547	10.1
161.05922	1.1
163.11308	23.9
164.11662	2.0
165.01987	1.4
175.04010	100.0
175.11288	4.2
176.04399	6.7
177.01950	1.6
177.05496	1.0
177.12799	0.8
178.02728	1.2
178.99876	3.1
179.03474	1.3
179.05609	12.9
179.10875	5.5
187.11302	2.4
191.05672	1.6
191.07146	2.4
193.05063	28.9
194.05394	1.3
196.11688	0.9
205.04997	2.0
205.12335	12.5
207.06538	0.8
209.11800	2.7
220.89859	0.8
221.06674	3.5
223.13280	1.6
235.06131	5.5
236.06572	0.9
265.06918	2.6
271.06061	9.2
289.06784	1.6
295.07968	2.9
303.05054	0.7
306.79257	0.7
325.19879	2.0
333.98090	0.7
337.09290	37.1
338.09500	3.5
339.18188	3.6
369.18842	1.5
397.11377	29.2
398.11703	3.9
399.23901	8.3
501.22226	17.1
501.29688	7.4
502.22626	3.4
502.29605	1.5
517.20685	11.7
518.19904	2.0
543.22253	30.8
543.29565	1.6
544.22772	5.4
561.22363	26.5
562.22687	5.0
585.36292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80572	0.7
57.03444	1.9
58.00608	0.6
59.01377	31.8
60.99303	10.2
61.98829	100.0
63.02381	1.5
63.99241	0.9
65.00320	5.4
65.96381	0.6
66.99318	0.5
69.36796	6.3
71.01385	19.5
72.99303	1.3
73.02950	4.7
82.21303	0.6
83.01386	6.6
83.05000	1.4
85.02964	6.7
87.00885	1.5
88.98814	67.9
89.02446	15.5
89.03976	0.7
93.03465	36.2
94.03812	1.2
95.01411	2.6
97.02959	1.6
99.00915	2.2
101.02455	14.5
106.90531	0.6
107.01404	9.3
108.02202	2.0
109.02986	2.2
111.00887	0.9
113.02459	7.0
116.92873	1.8
117.03490	2.3
119.03563	5.3
119.05036	17.4
121.02987	1.6
123.00950	0.8
123.04549	1.7
125.02457	9.8
125.06091	1.5
126.02818	0.6
131.03537	4.0
132.02191	15.2
133.03030	1.3
134.03755	9.8
135.04564	9.1
137.02458	80.7
138.02802	4.2
143.03514	1.0
145.02980	6.1
145.05121	2.5
147.04544	1.2
149.02466	5.0
149.04607	4.7
149.06091	1.9
151.00386	38.1
151.03926	1.5
152.00945	2.3
153.01988	1.2
155.10808	1.8
159.03020	1.1
159.04420	0.8
160.01672	57.9
161.02118	4.6
161.04610	4.2
161.05890	0.9
163.02882	0.6
163.03966	3.0
164.04790	3.5
165.01965	2.3
169.01468	1.4
169.05122	2.8
171.10411	1.1
173.04576	1.7
174.03157	1.2
175.00471	5.2
175.04010	65.3
176.01166	0.9
176.04378	4.7
177.01971	6.6
178.02708	1.5
178.99879	4.0
179.03484	1.4
179.05672	3.3
179.07037	0.9
187.04041	0.8
189.01984	3.3
190.02718	10.8
191.03535	1.9
191.05623	2.9
191.07051	1.1
193.01443	0.7
193.05075	14.4
194.05482	0.9
201.02040	0.7
201.11340	1.5
202.02774	1.2
203.03549	0.9
205.05058	16.3
206.05804	2.1
208.03909	0.7
209.11963	1.5
211.06113	1.3
216.00644	3.2
217.01460	2.8
217.04984	4.7
221.08321	1.9
223.06107	6.1
227.07132	1.1
229.01445	1.6
229.07147	1.3
235.06200	2.5
242.02296	0.8
243.02812	0.7
247.06273	0.9
250.04874	0.8
255.15771	0.8
257.04706	1.2
265.07108	5.0
271.06097	57.1
272.06485	8.4
284.03049	0.7
287.05621	12.7
288.05930	1.3
289.06943	2.1
289.09769	4.9
295.08359	2.2
301.07312	1.6
302.04190	1.0
313.07156	2.2
325.09177	3.9
329.06961	0.6
337.09482	1.0
341.06274	2.0
367.10327	18.9
368.10727	3.1
369.19128	4.3
385.11581	1.3
399.10959	2.1
399.23999	1.7
419.11346	3.4
501.23489	6.0
501.30838	6.9
502.31308	0.9
536.02374	0.7
543.16833	2.5
547.12579	0.7
561.14911	14.3
561.22601	5.6
561.30188	4.5
562.15149	4.9
562.23413	1.2
565.25616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	0.4
57.03450	6.1
59.01376	2.9
61.98825	1.4
65.03986	0.5
69.03457	0.9
69.66480	2.3
71.01374	1.8
77.62247	0.4
81.03455	2.7
82.92078	0.4
83.01387	4.1
85.02955	1.2
87.00880	0.4
89.02439	0.7
91.83406	0.4
93.03462	2.9
95.01394	1.2
95.05034	3.4
96.96003	0.9
97.02958	7.0
99.04517	1.3
99.37616	0.5
99.85620	0.4
101.02469	0.9
107.05031	1.1
108.02190	1.1
109.02965	22.9
110.03307	1.0
111.00876	0.5
113.02422	0.6
115.00319	0.4
116.92845	2.0
117.03486	0.5
119.05046	0.5
121.02979	4.3
122.03743	1.5
123.00906	0.7
123.04539	16.7
124.01688	0.6
124.04887	1.0
125.02460	36.5
126.02766	1.5
131.05042	0.8
133.02974	4.4
133.06590	0.5
135.04547	2.6
137.02470	19.4
138.03186	0.9
139.04041	4.7
140.04237	0.4
145.02997	1.3
146.03766	1.6
147.04517	0.8
149.00699	1.0
149.02458	5.9
149.06065	0.4
150.03166	1.3
151.04025	10.0
152.04375	0.4
157.06587	0.8
157.86966	0.5
158.03702	0.5
159.04501	2.8
160.05318	1.3
161.02461	5.5
161.06102	5.7
162.03268	2.1
162.24966	0.4
163.00430	1.9
163.04036	2.3
164.01183	14.9
164.02568	0.8
165.01955	7.3
166.02557	0.6
167.03482	1.8
168.03772	0.5
173.04660	0.5
173.06093	1.2
174.03226	0.6
174.06888	0.3
175.02522	0.7
175.03975	4.5
175.07672	2.1
176.01189	0.8
176.04498	0.6
177.01944	5.0
177.03404	0.6
177.03947	0.3
177.05418	0.5
178.02722	0.5
179.03511	6.6
185.06133	1.9
187.04008	6.2
188.04839	3.9
189.05515	0.8
199.07693	1.0
201.05533	1.4
202.06328	2.1
203.03413	1.1
203.07153	15.7
204.07497	1.4
205.01387	3.9
205.05078	10.6
211.04126	0.7
212.04810	0.6
217.05051	0.5
217.08659	0.7
219.06630	0.5
221.08206	3.7
225.05618	0.5
227.03445	0.7
227.07120	2.8
229.04974	1.5
229.08690	1.0
230.05779	0.8
231.02829	0.5
243.03157	0.7
243.06578	0.8
245.08188	17.0
246.08470	1.2
247.06067	1.3
253.04999	0.8
255.03000	1.4
256.03751	1.0
257.04419	0.7
271.06119	11.3
272.06494	1.5
273.07599	6.6
281.04489	0.6
283.02341	0.6
283.06015	1.0
285.04132	0.7
289.07172	100.0
290.07532	9.7
297.04132	0.5
328.05823	1.9
329.06622	2.9
339.08829	1.2
361.14984	0.6
364.84174	0.5
381.09766	1.0
387.10739	0.5
407.07727	10.4
408.08096	1.7
409.09195	0.7
417.09515	0.5
425.08661	1.6
435.10861	10.5
436.11423	2.0
511.40829	0.5
543.13159	1.6
561.13464	6.1
562.14447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.2
59.01387	3.5
61.98825	2.2
69.03450	1.3
71.01376	3.6
71.59116	1.1
75.00861	1.1
81.03452	2.8
82.03802	0.6
83.01391	5.9
85.02956	2.5
89.02430	2.1
93.03449	4.5
95.01390	1.8
95.05052	5.0
96.96030	2.0
97.02966	8.2
97.68551	0.5
99.00910	0.7
101.02445	1.2
106.59747	0.6
107.05042	1.6
108.02176	1.7
109.02225	1.4
109.02962	24.4
110.03242	0.9
113.02473	0.7
116.92860	5.7
117.03455	0.6
119.03494	0.8
119.05056	1.4
120.02180	0.9
121.02983	5.0
122.03770	1.5
123.00979	0.7
123.04537	19.1
124.04850	1.2
125.02461	63.2
126.02782	1.9
133.02975	5.9
135.04524	2.9
137.02455	21.4
138.03004	1.3
139.04031	5.0
143.05038	1.0
145.02968	2.1
147.04524	1.4
149.02464	8.4
149.06104	0.8
150.03224	2.0
151.04019	10.6
155.10779	1.8
157.06548	1.1
158.03835	0.7
159.04523	2.8
160.05249	1.4
161.02467	9.5
161.04684	0.9
161.06082	6.5
162.03209	1.4
163.00394	5.5
163.04013	3.7
164.01173	18.8
165.01935	9.0
166.02650	1.1
167.03497	2.4
171.04463	0.7
173.06050	1.3
174.03224	0.7
175.03990	7.4
175.07629	2.0
176.01109	1.1
177.01964	9.4
177.05537	1.5
178.02553	1.1
179.03493	7.6
183.04601	0.7
184.05243	0.7
185.06088	2.0
187.04016	8.6
187.07605	1.4
188.04822	3.2
189.05531	1.9
191.05600	1.1
192.99683	0.7
193.05103	1.0
199.07658	1.8
199.09737	1.0
201.05559	2.2
202.06320	2.4
203.03674	0.8
203.07149	15.1
204.07483	1.3
205.01442	7.2
205.05067	9.5
212.04852	0.8
215.03464	0.9
217.05014	1.7
221.08090	3.2
227.03537	1.0
227.07103	3.3
228.04303	1.4
229.05066	2.6
229.08556	1.2
230.05821	1.0
231.02972	1.4
231.06541	1.5
243.03053	1.2
243.06447	0.9
245.08176	16.8
246.08647	1.6
247.05971	1.7
253.05045	1.5
255.03023	4.3
255.06808	1.0
256.03705	2.4
257.04404	1.0
263.07510	0.8
269.08163	0.9
271.06076	15.3
271.08813	1.2
271.35172	0.6
272.06522	1.1
273.04611	1.3
273.07663	13.6
280.03604	0.8
281.04449	1.7
282.04724	0.8
283.02612	1.0
283.06064	1.5
285.04001	1.9
285.07578	0.9
289.07169	100.0
290.07428	9.5
312.06210	0.8
313.07159	1.2
328.05887	3.5
329.06607	7.7
339.08777	2.1
363.16650	2.1
381.09775	1.8
382.10291	0.8
391.11490	1.0
393.99969	0.7
407.07693	20.9
408.08218	2.9
409.09140	1.4
410.09915	1.4
417.09854	0.7
425.08679	3.0
435.10831	22.4
436.11108	3.1
543.12787	4.5
544.13263	0.9
556.73938	0.7
561.13147	7.8
562.14758	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46756	0.3
53.68948	0.3
59.01378	2.2
61.98834	3.0
71.01384	2.1
71.58695	0.5
73.02959	0.5
78.91894	0.4
78.95907	52.0
79.19541	0.2
79.95737	2.0
83.01372	0.3
85.02944	0.6
87.00855	0.4
89.02444	1.4
93.02998	0.2
93.03463	6.0
96.96020	100.0
96.96965	81.2
97.95951	0.6
99.00880	0.3
101.02470	1.9
102.85240	0.3
104.67364	0.3
109.02972	0.7
113.02460	1.1
119.03493	0.3
123.04559	0.6
125.02450	1.4
132.63966	0.3
133.02943	0.8
135.04556	0.4
136.01662	1.2
137.02458	21.2
138.02785	1.2
143.03551	0.3
145.02905	0.3
149.00677	1.7
149.02428	0.3
151.04053	0.9
163.04021	0.4
163.06183	0.3
164.01137	0.3
167.49054	0.3
173.04512	0.5
177.01953	0.6
179.03510	5.8
180.03836	0.5
181.07132	0.9
192.99661	1.5
209.04550	1.1
231.03992	0.3
239.05606	4.2
239.07840	0.5
281.06519	0.4
289.07190	2.1
299.07617	0.6
325.11377	0.4
345.74335	0.3
369.15173	0.3
371.17712	0.3
435.11020	0.3
463.14536	47.3
464.08911	0.2
464.14822	6.6
468.25558	0.3
486.36835	0.3
501.12616	0.5
517.10223	0.6
561.12921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.01380	13.8
60.10874	0.3
61.98831	100.0
69.36499	0.3
69.63811	0.3
72.99289	0.8
73.02955	3.4
78.95919	0.4
83.05012	0.4
85.51169	0.4
102.27329	0.3
137.48836	0.3
189.69370	0.4
210.68515	0.4
274.75763	0.3
326.89334	0.4
427.28427	3.6
443.28052	1.2
453.29825	0.4
471.31693	0.6
482.29843	0.4
483.31116	0.6
487.31262	0.4
500.31091	4.5
501.32318	7.4
503.29968	0.5
515.29962	0.7
560.12903	1.2
560.33173	12.3
561.34406	24.0
576.90015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3644
Annotation	Hippuristerone K
Peak:m/z	Relative Intensity
54.69953	0.3
57.03448	0.4
59.01380	22.7
59.17544	0.4
60.99298	1.3
61.78693	0.3
61.98828	4.6
69.39033	1.9
69.39464	1.4
71.05004	0.8
73.02949	4.0
78.95924	0.5
83.05032	0.3
119.84341	0.3
169.08032	0.3
317.33829	0.4
323.16211	0.5
377.21381	0.4
407.26132	0.5
451.32291	0.5
481.33246	5.6
482.33585	1.6
499.34338	42.0
500.34656	9.2
559.36517	100.0
560.36859	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	559.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00893	0.2
57.03409	0.4
59.01313	17.2
59.01642	1.6
60.53971	0.3
60.99244	1.0
61.98766	4.3
61.99109	0.3
71.04985	0.4
73.02879	3.0
78.95840	0.7
84.57895	0.3
93.36636	0.3
98.20643	0.9
115.89944	0.3
118.23247	0.3
132.02034	0.3
142.89061	0.3
148.06798	0.3
152.99562	0.5
237.18250	0.3
277.21567	0.4
290.55374	0.3
301.18185	1.5
347.18594	0.3
361.20126	0.5
394.19968	0.3
451.32266	0.4
453.33884	0.5
474.36719	0.6
481.33270	5.7
482.33673	1.1
499.34308	42.9
500.34653	8.1
559.36499	100.0
560.36884	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	559.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00642	0.6
57.03367	1.4
57.03629	0.6
59.01279	25.3
59.01613	5.1
60.99233	0.9
61.98727	8.5
61.99070	1.7
70.92340	1.7
71.01304	1.0
71.01630	0.6
72.99245	0.8
73.02838	2.9
78.95796	2.1
83.04937	1.2
85.02833	1.1
87.00802	0.6
87.04411	1.9
96.95915	1.0
101.02308	0.8
102.41121	0.7
109.02838	0.6
125.02352	0.9
143.17055	0.7
146.62975	0.6
152.99425	2.2
167.32190	0.6
169.12262	1.2
211.13210	2.1
271.05939	0.7
323.23581	0.8
327.08487	0.6
337.23871	7.3
409.26907	3.7
410.27518	1.0
423.28906	2.8
425.30679	6.2
426.30865	1.0
437.30731	6.3
438.30823	1.5
439.32358	4.0
449.30942	2.9
450.30911	1.0
451.28323	0.6
453.30005	1.8
455.31653	36.9
456.31952	9.2
467.31726	25.5
468.31998	6.9
469.29648	1.5
481.29291	2.3
482.30246	1.0
485.32986	2.9
487.34244	100.0
488.34555	18.1
499.30646	33.0
500.30835	7.0
531.33221	6.3
532.33673	1.6
559.32813	57.2
560.33319	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	559.1251
Annotation	ent-Epiafzelechin-(2alpha->7,4alpha->8)-catechin
Peak:m/z	Relative Intensity
57.03442	3.5
59.01384	1.8
61.98829	5.2
62.82109	0.4
65.00286	0.6
68.58064	0.4
69.03455	0.5
69.38345	3.7
71.01373	1.2
73.02980	0.4
74.02473	1.0
75.00876	0.8
75.09583	0.3
78.91904	0.4
81.03450	1.1
83.01398	2.6
85.02932	0.8
88.98803	0.5
89.02451	1.1
93.03465	5.1
95.01390	0.8
95.05052	1.8
96.96019	1.0
97.02950	2.3
98.02537	0.4
99.00864	0.4
99.04507	0.4
101.02469	0.7
108.02185	1.5
109.02218	0.8
109.02964	14.7
111.00936	0.4
113.02465	0.6
117.03463	1.0
119.01422	0.5
119.03505	0.4
119.05053	0.8
121.02975	3.3
122.03729	1.1
123.00872	0.4
123.04532	10.2
124.01653	0.5
124.04886	0.9
125.02463	19.1
126.02808	0.8
131.05055	0.7
132.02126	0.5
133.02983	1.8
134.03741	0.5
135.04533	1.9
137.02460	7.9
139.04001	1.6
143.05109	0.7
145.02945	1.6
145.06502	0.4
146.03743	0.9
147.00899	3.2
147.04501	0.9
148.01649	1.5
149.02451	9.6
149.04404	0.5
150.03171	0.9
151.00449	0.4
151.04019	6.6
152.01151	0.4
153.01962	0.4
154.02776	0.4
155.04950	0.7
157.06569	0.6
158.03773	0.5
159.04518	2.0
160.01680	1.1
161.02461	6.7
161.06097	3.1
162.03140	0.7
163.00406	4.2
163.04004	2.1
164.01172	6.9
165.01956	4.7
165.05615	0.5
166.02412	0.5
167.03546	0.9
169.06563	1.5
171.04517	1.1
173.02391	0.5
173.06076	1.3
174.03276	0.6
175.03978	4.7
175.07552	0.4
176.01163	4.3
176.04424	0.5
177.01912	4.2
179.03529	3.7
179.05086	0.5
179.05618	0.4
180.06683	0.6
181.06540	1.2
183.04506	0.9
185.06062	1.1
187.04019	3.2
188.04822	1.8
189.01979	1.8
189.05565	0.8
190.02588	0.8
191.03468	0.8
193.12338	0.4
195.04477	0.5
197.06042	2.2
199.03995	3.0
199.07657	0.7
200.04634	0.5
201.01903	1.4
201.05499	2.3
202.06296	0.8
202.99893	0.5
203.03459	1.5
203.07153	5.7
204.00551	0.4
205.01491	0.6
205.05043	4.1
213.05615	3.5
215.03609	0.8
215.07080	0.7
217.04997	0.9
221.08144	0.9
222.07654	0.6
223.04042	0.5
223.07556	0.7
224.04741	1.4
225.05534	3.2
226.05914	0.4
227.03477	1.3
227.07101	0.9
228.04257	0.9
229.05019	1.2
230.05864	0.7
231.03003	0.7
240.04230	1.0
241.05072	5.9
242.05284	0.5
243.02908	2.0
243.06613	0.6
244.03534	0.5
245.08157	8.4
246.08438	0.4
252.04323	0.9
253.05092	1.7
254.05586	0.5
255.03027	3.2
255.06583	0.6
256.03775	2.0
257.04416	1.7
258.05014	0.5
265.05075	0.5
267.06711	1.1
268.03793	1.6
268.06628	0.4
269.04520	36.3
270.04852	2.9
271.06128	2.6
279.06512	0.4
281.04529	3.0
281.07605	0.6
282.05051	0.9
283.02588	0.7
283.06082	1.5
284.03146	0.6
285.04181	1.8
285.06995	0.5
287.02142	0.5
289.07162	33.5
290.07498	2.8
291.06485	1.9
293.04520	2.1
297.03885	0.4
299.05450	0.5
303.06677	1.0
309.03885	1.1
309.07556	0.6
311.05652	1.2
313.07129	1.9
326.04111	0.6
327.05460	0.7
331.06021	0.6
335.05545	0.6
344.07062	0.5
359.05484	0.6
371.05551	1.5
372.06216	1.1
373.07114	0.8
395.07513	1.5
399.04886	0.7
405.09424	0.4
407.07687	12.3
408.08286	2.2
433.09268	15.4
434.09943	2.1
435.07208	0.9
437.08887	0.6
449.09009	0.4
452.07217	1.9
453.07898	0.5
455.11194	1.3
497.11346	0.6
523.10284	6.7
524.10455	1.3
541.11426	0.8
559.12482	100.0
560.12408	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33259	0.1
57.03478	0.1
59.01378	1.5
61.98828	100.0
62.98527	0.2
71.01380	0.6
73.02951	0.2
75.00872	0.1
78.95941	0.1
83.01386	0.1
85.02937	0.4
85.76252	0.1
86.46050	0.1
88.98823	0.1
89.02430	0.4
95.01439	0.1
95.29575	0.1
96.96023	0.1
98.19891	0.2
101.02435	0.6
113.02457	0.2
119.03587	0.1
119.05064	0.1
125.02505	0.2
135.02979	0.1
137.02486	0.1
145.50301	0.1
151.00414	0.2
161.04588	0.2
179.05620	0.2
235.86082	0.1
271.06189	0.2
285.04425	0.1
384.78928	0.1
407.07727	0.1
497.30743	0.1
498.31180	0.9
499.29266	0.2
558.27734	0.1
559.14465	0.1
559.24457	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	558.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01377	10.3
61.98829	100.0
68.99828	0.5
71.05017	0.5
71.59435	0.7
73.02950	1.3
78.95914	0.4
83.05067	0.3
118.19082	0.3
162.55603	0.4
206.08011	0.4
215.03589	0.7
230.05795	2.3
241.01735	0.4
327.08771	0.8
327.19656	1.6
364.35513	0.4
385.23883	1.6
387.21637	1.8
399.25684	1.4
437.31238	0.8
445.26175	1.6
447.67615	0.4
455.31528	1.2
461.12411	1.1
467.28085	0.5
471.31210	0.6
472.15521	0.4
481.33405	1.1
499.30621	3.0
499.34586	4.2
540.13525	0.7
558.14917	7.5
558.31506	1.9
559.19702	1.2
559.34229	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03448	1.0
58.00602	0.4
59.01377	100.0
60.01721	1.0
61.98828	14.2
65.09615	0.2
69.03467	0.3
71.01383	13.9
71.55235	0.5
72.99313	1.0
73.02951	4.5
73.03348	0.4
75.00873	1.2
78.95921	0.3
83.01394	2.6
83.05029	0.3
85.02449	0.3
85.02954	5.9
85.03451	0.4
87.00898	0.8
87.04484	0.3
88.76695	0.2
88.98813	0.2
89.02447	4.0
93.03479	0.5
95.01406	1.0
99.00892	2.0
101.02454	13.4
102.02787	0.2
113.02462	5.8
119.03519	1.6
119.05032	0.7
121.02970	0.2
125.02467	0.8
129.01985	0.3
134.03763	0.3
135.04500	0.5
137.02452	0.7
143.03528	0.8
145.02942	0.9
148.51497	0.2
151.00362	0.3
159.03033	1.8
161.02542	0.4
161.04573	11.0
162.04884	0.3
163.04062	0.5
169.12396	0.7
179.03496	0.4
179.05658	0.6
197.11815	0.7
205.03532	0.4
209.11855	1.5
227.12779	0.3
235.05913	0.3
265.07123	0.5
271.06189	0.6
335.22260	0.9
335.25946	0.4
350.91895	0.2
451.28290	0.3
460.09335	0.3
460.14719	0.3
497.31192	41.0
498.31519	7.9
525.27002	1.3
526.27441	0.4
557.31610	1.9
558.31586	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
57.03453	0.2
58.00597	0.2
59.01375	9.1
60.01715	0.3
61.98827	100.0
62.98524	0.3
63.99259	0.3
71.01387	4.9
71.61458	0.3
71.61827	0.3
72.99313	0.7
73.02936	1.1
75.00872	0.4
78.95933	0.4
83.01396	0.6
85.02962	1.7
87.00896	0.6
88.98825	0.4
89.02451	3.9
93.03490	0.6
93.69157	0.2
95.01386	0.3
95.05017	0.2
96.96016	0.2
97.83293	0.2
99.00903	0.4
101.02452	3.8
104.21818	0.2
107.01431	0.4
109.03016	0.4
111.00913	0.2
113.02444	2.0
117.03506	0.6
119.03532	1.9
119.05063	0.8
120.05328	0.2
121.03014	0.3
123.04511	0.3
125.02478	1.4
131.03535	0.7
137.02495	0.6
139.11336	0.3
143.03511	0.4
145.02979	2.3
146.03323	0.5
151.00420	0.9
151.04091	0.2
161.02512	0.2
161.04587	1.1
161.05885	0.2
162.03424	0.2
163.04031	0.5
164.04314	0.2
165.01976	0.2
167.03490	0.2
179.05626	4.1
191.03520	0.2
193.01477	0.2
193.78485	0.2
197.11752	0.2
209.11850	0.5
220.06462	0.3
221.06657	1.2
253.09315	0.2
259.06039	0.3
263.07709	0.2
271.02682	0.3
271.06174	1.4
326.04001	0.2
326.12805	0.2
335.13235	0.3
336.22739	0.5
360.87152	0.2
361.35907	0.2
397.17471	0.2
397.22232	1.1
412.17191	0.3
423.07101	0.6
436.78671	0.2
463.01251	0.3
495.22595	0.4
499.29614	1.1
558.20728	0.6
558.30145	1.7
559.13806	0.3
559.27026	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	557.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03434	2.7
58.00593	0.5
59.01377	100.0
59.56007	0.5
60.01708	1.6
61.45683	0.5
61.98828	87.1
69.03471	0.7
71.00990	1.3
71.01385	25.5
72.01746	0.5
72.99298	1.6
73.02954	8.2
75.00881	1.3
78.95895	0.8
83.01390	4.6
83.05011	1.2
85.02956	10.5
86.03265	0.7
87.00862	1.6
88.98814	0.9
89.02451	6.4
93.03446	1.5
95.01371	1.8
97.02945	0.7
99.00882	3.4
99.01414	0.6
99.04528	1.2
101.02456	20.8
102.02734	0.6
103.03045	0.5
103.40034	0.5
107.01373	0.8
109.02928	0.7
111.04482	0.7
113.02449	11.8
114.02696	0.8
117.03429	0.9
119.03448	2.1
119.04978	2.1
121.02928	1.2
123.04487	1.0
125.02380	2.5
127.03976	0.8
129.01909	0.9
134.03709	0.6
135.04425	1.7
136.04657	0.6
137.02385	1.8
141.36853	0.6
143.03404	1.8
145.02951	3.7
151.00354	1.3
152.00624	0.7
159.02959	1.4
161.02441	0.7
161.04578	18.3
161.05856	1.5
162.04820	1.1
163.03874	1.1
179.05585	1.1
183.10280	3.5
205.03264	0.7
205.04991	0.7
209.11638	0.8
233.55872	0.6
249.07336	0.6
258.49908	0.6
262.91718	0.6
271.05692	1.5
335.21570	5.2
335.25479	1.4
336.21909	1.1
379.24216	0.7
379.88385	0.6
385.03275	0.6
411.16263	0.8
420.27606	0.5
453.31198	1.0
476.48941	0.7
479.29324	0.7
497.29733	56.5
497.41125	1.9
498.30099	11.0
521.33838	1.3
557.18835	1.2
557.27020	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	557.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27039	0.6
55.01870	2.9
57.03452	2.0
58.00570	0.6
59.01376	100.0
60.01712	1.6
61.98828	93.9
62.98532	1.7
63.99271	1.0
65.00333	0.6
71.01381	26.2
71.61915	0.5
71.62276	0.8
72.99304	0.7
73.02947	9.7
73.75090	0.5
75.00882	1.0
82.95423	1.4
83.01381	5.0
85.02953	12.7
87.00888	1.6
88.98813	2.0
89.02444	6.4
93.03445	1.6
95.01375	1.9
96.96058	0.5
97.02953	0.8
99.00857	3.2
101.02449	23.7
102.02742	0.7
107.01427	0.9
107.30292	0.6
109.02950	0.5
113.01713	0.7
113.02458	11.9
115.39723	0.5
119.03526	2.8
119.05027	2.1
120.05331	0.8
125.02430	2.0
126.90493	1.4
127.79633	0.5
128.89253	0.5
135.04465	0.6
137.02469	1.2
141.22971	0.7
143.03482	2.0
145.02901	1.8
146.03268	0.8
151.00363	3.8
152.00684	1.8
153.00801	1.1
159.02983	3.2
161.02480	0.9
161.04568	20.1
163.03937	0.9
165.01845	0.8
179.05508	2.0
255.02841	0.7
257.07843	0.6
267.99905	0.6
271.06152	3.0
272.06171	2.2
273.06604	3.1
274.06805	1.2
275.06958	1.4
335.21960	1.4
335.25580	1.4
409.92526	0.8
410.93253	0.6
450.23795	0.6
497.31183	65.5
497.41483	1.9
498.31470	13.5
556.99158	1.0
557.13623	0.9
557.21191	0.8
557.32202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.4
60.01701	0.1
60.17824	0.1
61.98827	100.0
62.62350	0.1
62.98531	0.2
62.99254	0.1
70.19350	0.3
71.05060	0.1
78.95908	0.7
80.96342	0.1
86.35721	0.1
94.43695	0.1
98.01381	0.1
98.19941	0.1
122.98557	0.1
129.62276	0.1
152.99611	0.4
224.06961	0.1
255.23282	1.6
255.25839	0.1
256.23611	0.8
257.23822	0.5
258.24249	0.3
287.22302	0.4
409.23611	0.2
480.30884	1.1
481.31335	0.3
482.31708	0.2
483.31897	1.0
484.32349	0.1
542.49689	0.1
557.31982	0.5
557.44214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.9
57.03447	1.6
58.00593	0.5
59.01379	100.0
60.01725	1.1
61.98830	98.6
62.98538	1.0
62.99246	0.6
63.99244	0.9
71.01385	25.5
71.59723	0.7
72.01713	0.6
72.99289	1.3
73.02953	8.0
75.00890	0.6
82.95430	1.0
83.01400	4.4
85.02962	11.8
86.03284	0.6
87.00877	1.6
88.98804	1.6
89.02441	6.9
93.03461	1.4
95.01385	2.0
97.02934	0.7
99.00886	3.7
101.01820	1.2
101.02458	23.2
101.20706	0.6
102.02810	0.6
107.01348	1.3
108.88914	0.5
111.00916	0.7
113.02469	10.8
114.02781	0.6
119.03472	2.7
119.05070	2.7
124.40232	0.5
125.02488	2.6
126.72488	0.6
126.90470	0.7
137.02444	0.9
143.03439	1.8
145.02946	2.8
151.00406	2.8
152.00645	1.0
153.00710	0.8
159.02977	3.1
161.02412	0.9
161.04568	20.6
162.04851	1.2
163.03944	0.6
172.71411	0.5
179.05482	2.2
205.03279	0.6
233.37688	0.5
271.06107	3.7
272.06018	1.9
272.51663	0.5
273.06277	2.2
274.06555	1.7
275.07043	0.8
276.11902	0.6
283.06570	0.6
285.03683	0.7
335.21899	0.7
335.25424	1.3
497.29868	63.5
497.37924	4.1
497.41122	1.8
498.30209	11.4
507.61765	0.5
557.22089	1.2
557.31763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3124
Annotation	Kadsuphilactone A
Peak:m/z	Relative Intensity
51.25699	0.2
54.61270	0.2
59.01376	13.4
60.99322	1.0
61.98826	6.7
69.03457	0.6
69.49844	1.8
73.02950	2.8
73.03268	0.2
76.21954	0.2
78.95938	0.3
83.05026	17.0
84.05360	0.4
85.03004	0.3
85.06596	0.5
93.03487	0.7
96.96078	0.3
98.19886	0.5
99.04555	0.6
108.02260	0.3
109.06586	3.5
111.08229	0.3
113.06235	0.2
144.92760	0.2
161.02443	0.3
309.18704	0.3
314.34570	0.2
323.23758	0.5
325.21677	0.3
327.19672	2.6
328.20111	0.4
343.22827	1.0
344.23056	0.3
349.25449	0.4
351.23233	0.5
353.28583	0.3
365.28717	0.6
369.24271	4.1
370.24649	0.8
375.27020	0.3
379.26523	0.3
383.25787	0.5
391.30154	2.9
392.30661	0.5
393.24161	0.4
407.29538	1.0
408.30035	0.4
409.31195	0.8
411.25388	0.9
412.26166	0.3
417.27637	0.4
419.26422	0.3
429.26459	2.8
430.26855	0.5
431.34775	0.2
435.28970	3.4
436.29239	0.7
437.26999	1.3
438.27045	0.4
441.29929	0.8
451.28326	0.3
453.30081	31.0
454.24277	0.5
454.30402	6.2
479.28021	0.8
495.27380	0.7
497.29050	13.4
498.29593	2.4
513.32178	19.3
514.32422	3.8
540.30725	0.3
557.31213	100.0
558.31567	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	557.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
57.03448	3.8
58.00578	0.6
58.39870	0.3
59.01377	7.8
60.99310	2.6
61.98520	0.7
61.98829	12.1
69.03441	0.4
69.35354	3.7
69.35755	0.5
71.01380	3.8
72.99303	0.5
73.02948	2.5
75.00883	0.7
79.95748	2.8
81.03467	0.7
81.96828	0.4
83.01379	1.1
83.05056	0.4
85.02937	2.6
87.00869	0.7
87.04530	3.0
88.98811	18.5
89.02448	2.7
93.03465	1.1
95.01411	0.7
96.96019	100.0
97.02917	0.5
98.19902	0.7
98.95589	0.7
99.04503	2.2
101.02466	4.1
108.02190	1.2
109.02940	1.0
110.03274	0.4
111.08074	0.4
113.02433	1.3
116.92909	0.5
117.03490	1.9
119.03514	0.7
119.05032	1.1
121.02941	2.2
122.03246	0.4
123.03459	0.4
123.04536	1.3
125.02463	9.1
126.02810	2.9
127.02961	0.9
133.02954	0.6
134.03735	0.4
135.04532	2.0
135.08174	1.4
137.02475	2.0
137.08757	0.6
137.09741	9.9
138.02823	0.4
138.10086	0.6
139.11316	0.7
145.02959	9.8
146.03732	2.1
147.03459	0.4
147.04521	1.4
149.02412	1.3
151.00404	0.8
155.10791	51.2
156.11118	3.1
157.06645	0.5
159.04407	0.4
160.01781	0.4
161.02470	7.3
161.04576	0.7
161.06148	0.4
162.03246	9.4
163.04031	6.0
164.04509	0.5
165.05580	0.4
168.00635	1.3
169.12288	1.8
177.05678	0.8
178.99884	0.4
179.10704	0.4
180.04268	0.5
181.08736	1.8
187.07751	0.8
189.01976	0.6
195.06653	1.0
199.09758	26.0
200.10037	1.8
213.11237	2.5
241.10771	7.8
242.11075	0.9
243.06783	1.0
244.06955	1.2
245.07137	0.7
257.08255	0.6
269.04593	0.4
271.06049	4.2
271.11829	1.3
272.06442	4.0
273.06604	3.6
301.12927	4.1
325.09296	1.1
361.15155	2.3
377.20035	0.4
393.09869	0.7
394.10172	0.8
395.10373	2.1
413.14511	0.7
435.12347	0.7
451.16428	0.8
495.18805	1.3
539.14612	0.3
539.21246	25.5
540.21478	5.2
557.26056	39.4
558.26227	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	556.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.15564	1.2
70.53294	1.3
70.73608	3.3
141.17662	1.1
141.22578	1.1
255.17020	1.1
372.11490	1.2
399.86523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.188
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28978	0.5
53.06942	0.5
58.95158	0.5
59.01381	4.4
59.56773	0.5
61.98830	2.3
67.66996	0.4
69.03458	2.8
69.34486	2.3
69.34921	2.3
71.01392	1.5
73.02959	1.4
75.00840	0.5
81.03450	0.8
83.01415	2.3
85.02954	0.6
88.32323	0.5
93.03490	0.6
95.01414	1.1
96.14574	0.4
97.02980	3.1
97.09319	0.4
101.02465	0.7
103.00392	0.6
107.01411	1.3
108.02180	0.7
123.00903	7.4
124.01680	23.4
125.02464	54.4
126.02785	2.5
135.04550	0.7
137.02451	3.5
139.04089	0.5
139.11299	2.3
148.88315	0.5
149.02461	0.5
149.99602	29.2
151.00151	2.1
161.02420	0.8
165.05656	0.5
167.03502	2.0
168.00656	70.1
169.01408	13.5
170.01768	0.9
181.12321	1.4
183.10278	3.3
183.52615	0.4
187.07607	0.8
193.01463	0.7
199.13364	0.5
211.02454	0.7
225.11162	2.4
231.06569	0.7
243.12373	1.3
313.05618	1.2
324.08957	0.5
495.18665	1.5
497.16559	1.7
513.19617	1.6
539.17401	0.7
557.18781	100.0
558.19098	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2095
Annotation	Trigilletimine
Peak:m/z	Relative Intensity
57.03462	2.5
58.00570	0.8
59.01379	11.0
61.98831	2.3
63.68112	0.6
68.99817	0.9
69.03445	1.3
69.27574	0.5
69.79935	3.0
71.01386	13.2
72.01718	0.6
72.99305	2.4
73.02951	20.3
73.91874	0.4
75.00878	16.4
78.95902	0.6
79.05556	0.7
83.01389	1.1
85.02956	7.9
87.00874	6.2
87.04501	0.6
88.98805	2.1
89.02437	5.6
93.03445	0.8
95.01379	0.9
96.96012	1.4
96.96967	0.5
97.02958	2.1
97.06600	22.1
98.06902	1.1
98.20561	0.7
99.00892	4.2
100.18181	0.5
101.02453	6.6
111.00867	1.2
113.02452	4.2
115.04050	0.8
116.92877	0.6
119.03532	1.1
123.04536	2.6
127.07642	0.7
128.03703	0.5
129.01968	6.7
130.42795	0.5
131.03535	0.8
137.02359	0.7
141.01945	1.5
141.05594	19.1
142.05917	0.9
145.08696	2.0
153.09251	3.1
155.10788	1.3
159.02975	2.2
160.45058	0.5
161.04536	0.7
163.06155	4.0
171.10300	1.8
177.04060	22.7
178.04398	0.7
181.07196	3.1
189.05569	6.0
191.05598	0.6
193.05069	0.7
195.05121	1.1
197.08211	1.6
211.37863	0.5
215.09224	4.2
237.09837	0.9
249.06032	1.5
252.93907	0.5
257.10309	0.9
286.83304	0.5
307.13876	4.0
308.14096	0.5
319.10489	2.3
375.12955	1.9
377.14648	0.9
379.16183	4.5
393.14041	1.5
499.54779	0.5
521.18915	1.3
539.19519	1.4
557.20898	100.0
558.21265	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	556.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.1
57.03463	0.1
59.01377	8.4
60.01701	0.4
61.01807	0.3
61.98829	100.0
62.98534	0.2
62.99252	0.1
69.58933	1.0
71.01392	2.4
72.99320	0.1
73.02950	0.7
76.06694	0.1
80.91698	0.2
82.95428	0.5
83.01401	0.4
85.02943	1.1
87.00909	0.2
88.98845	0.1
89.02439	0.9
95.01395	0.2
98.20158	0.4
99.00874	0.2
101.02452	1.9
101.03077	0.2
101.13323	0.1
113.02444	1.1
119.03513	0.2
119.05122	0.1
123.04546	0.1
125.02508	0.1
133.03000	0.1
137.02469	0.1
143.03545	0.2
145.03008	0.4
151.00279	0.1
159.03041	0.2
161.02481	0.5
161.04562	1.7
161.05898	0.2
179.05643	0.1
191.57521	0.1
213.73283	0.1
226.96304	0.1
260.52670	0.1
271.06137	0.2
462.76730	0.1
493.20938	0.6
497.31223	5.9
556.31091	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.3
58.00598	0.9
59.01376	100.0
60.01706	1.5
61.98827	9.5
67.01905	0.3
68.13123	0.3
69.29490	2.8
69.29903	0.5
71.01383	40.7
72.01730	1.0
72.99300	1.2
73.02946	12.0
75.00876	0.7
78.95914	0.5
83.01391	5.9
85.02954	19.0
85.63372	0.3
86.03268	0.5
87.00875	1.7
88.98825	0.6
89.02450	7.3
95.01398	3.0
97.02967	0.8
99.00889	5.2
101.02451	31.0
102.02806	0.5
111.00892	0.5
113.02459	16.3
114.02787	0.4
118.43305	0.3
119.03498	2.4
119.05039	0.5
121.02962	6.9
121.03768	0.6
123.04512	0.4
125.02471	1.4
129.01970	0.8
131.03484	0.4
135.04527	0.6
137.02490	0.6
139.00394	1.3
143.03510	2.8
151.00421	0.5
155.10857	0.5
159.03030	4.2
161.04567	30.9
162.04906	1.3
163.04051	0.4
177.04030	0.3
179.05621	2.4
182.38618	0.4
182.99326	0.4
195.05128	0.5
205.03557	0.5
271.06104	0.7
315.23227	0.4
333.24329	3.8
340.36670	0.3
433.24353	0.5
458.14294	0.4
493.81619	0.4
495.29599	83.2
496.29926	16.8
496.68008	0.3
555.24933	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78765	0.1
55.01871	0.4
57.03430	0.7
57.80944	0.1
59.01378	100.0
59.56409	0.1
60.01712	1.0
61.98831	7.6
69.03457	0.2
69.43402	1.3
71.01382	5.5
72.45067	0.1
72.99322	0.4
73.02958	1.8
75.00894	0.2
78.95934	0.2
83.01383	0.7
85.02953	2.6
87.00900	0.4
88.98820	0.2
89.02480	0.5
93.03494	0.3
95.01440	0.4
96.96088	0.2
97.02988	0.3
97.27029	0.1
99.00905	0.6
101.02454	4.4
101.03091	0.2
102.02802	0.2
108.02177	0.2
109.02995	0.2
113.02456	2.2
119.03537	0.2
119.05084	0.2
121.02972	1.3
123.04576	0.2
124.08411	0.1
125.02463	1.3
126.76698	0.1
129.01959	0.2
133.03000	0.1
137.02473	0.6
137.09808	0.2
143.03549	0.4
145.02991	0.5
151.00409	0.3
155.10832	0.3
159.03035	0.7
161.02496	0.3
161.04581	5.1
162.04907	0.2
163.04041	0.2
175.04044	0.1
177.04037	0.1
183.10327	0.3
205.03462	0.2
225.84999	0.1
227.07191	0.3
249.29851	0.1
260.06488	0.2
261.06860	0.1
271.06158	0.4
272.06454	0.1
287.05527	0.2
288.05945	0.2
289.06732	0.2
299.15701	0.1
315.23267	0.3
354.16718	0.2
387.60309	0.1
432.08890	0.1
458.14423	0.3
477.28412	0.2
486.81171	0.2
495.29608	9.6
496.30017	1.8
555.14282	0.3
555.32318	1.4
556.32666	0.3
570.09399	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	555.3187
Annotation	Turnagainolide A
Peak:m/z	Relative Intensity
52.33293	0.6
57.03437	1.6
59.01377	100.0
60.01710	1.0
61.98828	43.0
65.85698	0.6
71.01389	11.3
71.59165	0.8
72.99323	1.0
73.02946	4.2
75.00885	2.2
78.95908	1.5
83.01385	1.4
85.02956	6.1
87.00893	1.6
87.04527	1.3
88.98819	1.3
89.02454	4.6
93.03480	0.7
95.01412	1.0
96.96008	3.4
99.00860	1.1
101.02451	9.6
101.03003	0.8
102.02778	0.8
109.02976	0.8
109.06621	1.4
113.02461	4.7
119.03550	1.6
119.05087	0.8
121.02995	0.6
123.04583	0.9
125.02502	1.8
135.08191	1.0
137.02516	2.7
137.09726	3.9
143.03545	0.8
144.18759	0.6
145.03009	1.9
151.00381	1.0
152.99617	0.7
155.10796	17.3
156.11174	0.8
161.04579	8.7
161.05870	0.8
163.04097	1.3
166.98051	0.7
168.00792	0.7
169.12427	1.0
177.04044	1.0
179.05736	0.9
181.08737	0.7
190.02692	0.7
199.09804	4.8
238.19469	0.6
239.10530	0.7
241.10873	1.0
271.06232	2.1
287.05658	0.8
333.20465	3.1
438.00836	0.7
451.30975	0.9
455.07953	0.7
477.28882	1.8
495.23627	1.2
495.29773	14.4
496.30096	3.4
555.19397	1.5
555.32324	23.9
556.32623	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	555.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84540	0.2
57.03447	0.7
58.00593	0.5
59.01378	100.0
60.01722	1.3
61.98830	14.9
69.46267	0.7
69.46695	1.1
70.90616	0.2
71.01387	5.8
71.01780	0.3
72.56820	0.2
72.99327	0.6
73.02952	0.9
73.83572	0.2
75.00869	1.0
78.95899	1.3
81.03479	0.3
83.01395	0.7
83.05035	0.2
85.02959	2.0
87.00896	0.8
87.04539	0.3
88.98840	0.6
89.02453	7.3
93.03472	1.0
95.01425	0.6
96.96021	0.5
96.96992	0.3
97.02968	0.5
98.20627	0.4
99.00914	0.6
101.02457	3.7
107.01424	0.3
108.02217	0.4
109.02985	0.8
111.00858	0.3
113.02462	3.0
115.24141	0.2
115.92162	0.2
116.92881	2.0
117.03478	0.2
119.03530	3.1
119.05045	0.6
121.03017	0.8
123.00887	0.2
123.04592	0.9
123.23190	0.2
124.01718	0.3
125.02480	1.6
131.03539	0.6
133.03009	0.4
134.03787	0.5
135.04570	0.8
135.08168	0.2
137.02463	1.9
137.09702	0.3
143.03572	0.8
145.03003	0.8
146.03761	0.2
149.02461	0.4
149.04683	0.3
149.99768	0.3
150.03223	0.5
151.00388	0.9
151.04024	0.5
152.01155	0.4
152.99615	1.4
153.01909	0.3
155.10783	2.1
160.01671	0.4
161.02469	1.0
161.04626	1.1
161.05948	0.2
163.04112	0.4
165.05655	0.7
165.12869	0.5
168.00731	0.6
171.10336	0.8
173.04558	0.2
175.00417	0.2
175.04036	0.6
177.04120	0.3
178.02754	1.2
179.03471	0.5
179.05623	2.5
181.07193	0.4
183.14011	0.7
185.06232	0.2
190.02657	0.3
193.05090	1.2
199.09764	1.8
205.05128	0.5
211.07687	0.3
211.13451	0.7
227.07079	0.2
229.14528	0.5
241.10991	0.6
243.06619	0.3
245.08282	0.2
271.06293	0.8
271.11975	0.3
281.06708	1.1
283.10675	0.4
288.06036	0.3
289.07254	0.9
301.13052	0.6
327.21811	0.8
328.17059	0.2
333.20581	0.2
361.15091	0.5
393.10025	0.3
433.12033	0.2
458.14490	1.0
493.22919	2.0
495.29916	0.4
519.33203	1.8
520.33856	0.4
537.18719	0.3
555.19324	1.0
555.26233	3.6
555.33331	0.4
556.18939	0.3
556.26276	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52553	0.3
57.03451	0.6
57.20524	0.3
59.01376	100.0
60.01715	1.6
61.98827	16.9
63.99230	0.4
69.37108	3.8
71.01385	4.8
72.44392	0.4
73.02952	1.1
75.00882	1.5
78.95914	1.1
83.01378	0.7
85.02961	2.0
87.00893	0.6
89.02454	0.9
96.96059	0.4
96.96980	0.4
99.00925	0.6
101.02443	3.7
109.03006	0.5
113.02487	1.6
119.03577	0.4
122.74902	0.4
125.02525	1.4
152.99652	0.5
153.87451	0.4
155.10968	0.4
161.04570	4.3
168.00777	0.6
171.10286	0.5
228.45920	0.4
290.47778	0.4
333.20694	0.8
398.46561	0.4
485.32880	1.0
486.34003	0.5
495.29608	7.7
496.30475	1.1
519.33405	1.0
520.33563	0.5
555.21667	1.8
555.30438	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
58.00587	1.0
59.01376	100.0
60.01710	1.2
60.99308	0.6
61.98827	26.2
62.98549	0.3
63.98319	0.1
63.99255	0.3
69.03440	0.2
69.30499	0.7
69.30931	0.7
71.01381	14.8
72.01711	0.2
72.99307	1.3
73.02945	0.8
75.00880	0.5
78.95897	0.2
83.01402	0.7
83.05012	0.1
85.02953	2.7
87.00890	1.1
87.04491	0.4
88.98814	3.7
89.02448	24.0
90.02782	0.4
93.03462	0.7
93.80245	0.1
95.01395	0.8
95.67629	0.1
96.96019	0.4
97.02948	0.2
97.06605	0.2
98.20604	0.2
99.00875	0.4
99.04507	0.2
101.02449	8.7
102.02771	0.2
107.05018	0.6
108.02184	0.3
109.02943	0.5
113.02459	6.5
114.02788	0.3
115.03983	0.2
117.03450	0.3
119.03514	8.7
119.04976	0.6
121.02974	0.3
123.04498	0.4
125.02479	1.0
129.01971	0.2
131.03523	1.3
132.02061	0.1
133.02948	0.5
134.03700	0.5
135.04538	2.9
137.02435	1.2
137.09727	0.2
138.02789	0.1
143.03516	2.6
145.02975	0.9
147.04474	0.3
149.02475	0.2
149.04579	1.1
151.00308	0.4
151.03918	0.3
153.01863	0.2
155.10756	0.8
160.01604	0.5
161.02391	0.5
161.04576	4.1
163.04054	0.3
165.01898	0.2
165.05602	1.1
168.00632	0.2
175.03932	0.4
179.05615	17.2
180.05905	0.7
183.10263	0.1
187.07555	0.2
193.04980	0.2
199.09656	0.3
221.04381	0.1
239.07567	0.3
271.06000	0.4
272.06128	0.2
285.03998	0.2
289.07233	0.2
305.35669	0.1
327.89581	0.1
359.14709	0.4
363.23569	0.2
426.61444	0.1
447.09552	0.3
458.13797	0.4
495.29684	1.7
496.29749	0.4
519.31396	0.3
520.32214	0.1
555.25226	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	7.3
85.75085	0.5
98.19867	1.4
99.91974	1.2
99.92594	15.5
100.92699	0.6
100.93393	3.0
115.92085	100.0
116.92102	5.5
116.92876	3.2
120.68908	0.6
166.96344	0.6
181.69217	0.6
191.18341	0.7
229.66177	0.7
254.20868	0.7
269.08936	0.6
277.21756	2.1
279.70004	0.7
289.87219	0.7
322.20239	0.7
432.69263	0.6
455.35318	1.8
537.72076	0.6
549.32867	0.6
555.27869	69.8
556.28204	19.1
569.25885	2.2
570.25568	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2848
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.27473	0.2
57.03426	0.4
59.01392	0.6
61.98836	0.4
63.96228	0.8
64.55161	0.2
64.97028	0.3
69.03451	0.7
71.01381	6.4
73.02951	1.7
78.98598	5.7
79.95738	8.8
79.96207	0.5
80.96522	61.6
81.03466	0.6
83.01384	0.4
85.02948	2.4
87.00874	2.0
90.77232	0.2
94.98098	14.2
96.96014	1.0
97.02979	1.6
98.20659	0.6
99.00872	0.3
101.02449	2.1
106.98100	3.1
111.38293	0.3
122.97613	2.6
125.02468	2.4
127.04031	0.8
134.97598	4.0
136.99153	1.1
138.65939	0.3
142.41652	0.2
146.97569	0.3
148.99155	5.1
152.98650	5.8
164.98648	10.9
167.00204	0.5
176.55505	0.3
188.98708	0.4
206.99701	2.0
212.12007	0.3
225.00755	16.4
226.00995	0.6
243.93988	0.3
255.23276	2.3
299.04376	2.8
555.28467	100.0
556.28809	17.6
556.37726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2091
Annotation	Amritoside A
Peak:m/z	Relative Intensity
54.49130	0.5
55.01884	0.8
56.89005	0.5
57.03444	3.0
58.00599	0.9
59.01378	29.2
61.39723	0.6
61.98825	7.8
68.64011	0.6
68.99812	1.2
69.03447	1.2
69.65766	4.3
71.01384	11.2
72.99320	1.4
73.02956	8.3
75.00868	4.8
81.03467	1.1
83.01393	5.4
83.05038	1.2
85.02960	8.2
87.00903	2.0
87.04514	1.3
88.98823	2.6
89.02473	2.3
93.03477	2.1
95.01411	2.3
96.96040	1.1
97.02967	1.5
97.06592	0.6
99.00900	3.6
99.04523	3.6
101.02451	4.2
103.00411	0.6
108.02175	8.5
109.02988	10.8
109.06558	0.8
113.02448	7.5
113.69379	0.5
115.92107	1.2
117.01997	0.9
119.06547	0.5
121.02996	2.6
122.03757	32.6
123.04544	55.8
124.01678	2.1
124.04875	2.8
125.02459	6.1
125.06107	0.7
127.04091	0.6
129.01872	0.8
134.03789	1.2
135.04543	1.0
135.11833	0.9
137.02463	10.1
137.06097	0.7
137.09726	1.0
139.11308	20.8
140.11633	1.0
145.02963	1.1
149.02452	1.4
149.99606	2.4
151.11308	0.6
153.09251	0.9
155.10817	1.6
160.01669	1.6
161.02454	0.8
161.04553	1.0
163.04034	1.0
163.11339	1.6
165.05586	1.6
165.09155	0.8
168.00674	5.1
169.01425	0.7
169.12384	1.6
171.82166	0.6
175.04021	1.9
177.04079	1.1
179.03645	0.6
179.10814	4.1
181.05042	0.6
181.07210	3.0
181.12373	7.1
183.10275	30.3
184.10606	1.6
186.06784	0.6
187.07578	1.4
193.05090	0.8
197.11905	1.0
199.09756	1.3
199.13478	0.8
225.11319	9.0
226.11624	0.8
243.12335	3.7
249.06119	2.0
257.08182	1.2
263.12881	0.6
267.07214	0.8
267.12280	1.0
309.13495	0.6
327.14374	1.3
340.62988	0.7
429.07977	0.7
429.17905	1.3
431.17145	0.6
442.67010	0.7
473.16653	4.6
473.66974	2.8
474.17548	1.1
475.07266	0.7
493.20508	4.5
494.20880	0.8
511.22040	30.8
512.22357	4.4
537.19611	4.1
538.20184	0.7
546.19946	1.0
555.20880	100.0
555.70441	4.4
556.21185	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	555.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.9
58.00607	1.1
59.01378	12.9
61.98818	0.7
64.25117	0.6
66.88770	0.5
68.99802	1.0
69.03452	5.0
69.24828	2.7
69.25252	3.9
71.01382	17.5
72.99302	3.7
73.02949	2.2
75.00875	33.2
76.01231	0.7
83.01414	1.4
84.02170	0.9
85.02954	13.3
87.00883	13.3
87.04516	3.9
89.02451	3.5
95.01397	0.6
95.05062	0.7
97.02966	6.8
99.00898	6.0
101.02464	2.8
103.00359	1.1
111.00913	1.3
113.02454	1.4
115.04012	1.0
117.01934	1.0
120.38655	0.5
129.01952	12.4
131.03496	0.8
132.33891	0.6
135.08145	1.0
137.09740	8.6
141.01984	5.2
155.10799	52.2
156.11125	2.6
159.02965	2.8
169.12370	1.9
177.04059	50.7
178.04393	2.0
181.08693	2.9
186.73886	0.5
189.05556	2.3
195.05109	1.4
199.09772	23.0
200.10095	1.6
213.11354	2.0
221.20540	0.6
241.10838	6.6
242.11316	0.8
243.12077	0.7
246.34517	0.6
309.17181	0.6
314.44208	0.6
359.13373	5.8
360.13962	0.8
377.14474	6.9
378.14841	0.6
419.15695	2.1
439.14124	0.6
479.17514	2.9
501.15952	1.6
537.18152	24.7
538.18341	3.8
555.19366	100.0
556.19690	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	555.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.3
57.37452	0.4
58.00605	0.5
59.01374	6.6
62.81849	0.3
66.25560	0.3
68.99806	0.4
69.03455	3.3
69.53040	1.2
69.53457	1.6
71.01384	10.8
72.99318	3.7
73.02946	1.9
75.00871	16.9
83.01402	1.6
84.02172	0.6
85.02951	12.7
87.00876	6.5
87.04517	2.4
89.02454	2.6
95.01395	0.5
97.02960	5.1
98.19958	0.7
99.00890	5.9
101.02466	1.1
111.00912	1.1
113.02473	0.6
115.04013	1.2
120.89157	0.4
129.01952	9.7
130.02293	0.6
135.08260	0.7
137.09731	6.3
139.11270	0.6
141.01959	3.2
143.21359	0.5
155.10789	55.4
156.11133	3.3
159.02986	1.7
160.01540	0.4
169.12360	1.2
177.04053	35.9
178.04370	1.2
181.08707	2.0
189.05603	1.4
195.05074	1.7
199.09760	19.9
200.10034	1.9
213.11290	1.2
241.10779	4.4
257.34711	0.6
341.12476	0.5
359.13431	7.2
360.13748	0.6
377.14505	19.9
378.14825	2.1
419.15594	0.5
479.17361	2.0
480.18362	0.6
501.16083	0.9
519.17255	1.1
537.09833	0.6
537.18152	17.2
538.18469	3.0
555.19318	100.0
556.19696	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	555.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49863	0.8
55.01820	0.8
57.03445	10.5
58.02234	0.8
59.01377	11.1
61.98825	10.2
69.03445	1.2
69.25803	10.3
71.01383	5.9
73.02954	1.7
75.00874	2.3
77.60865	0.9
79.95732	2.1
81.03457	2.6
83.01387	5.0
85.02956	3.3
87.00882	1.1
88.98779	0.9
89.02444	3.1
93.03473	1.5
95.01382	1.0
95.05054	1.3
96.96014	53.1
97.02960	2.8
99.00855	1.5
101.02440	1.2
108.02177	1.1
109.02967	6.5
111.00897	1.3
113.02465	3.4
116.92857	1.2
117.01977	1.0
117.03429	1.3
119.05037	2.3
121.02155	1.8
121.02967	22.1
122.03764	0.9
123.04532	5.7
124.01646	1.0
125.02454	100.0
126.02782	3.9
131.04985	1.3
135.04485	2.3
137.01456	1.4
137.02451	20.5
139.04019	1.5
145.02963	29.5
146.03683	3.1
149.02444	10.6
149.99512	1.0
150.03146	2.0
151.04004	2.9
155.08728	1.2
157.06577	9.1
159.04556	6.7
160.05176	1.0
161.02470	3.5
161.04800	1.1
161.06061	6.1
163.03990	1.2
165.01929	3.0
165.05571	2.8
167.03468	2.0
168.00623	1.7
173.06013	1.1
175.03990	1.2
175.07649	4.2
177.04073	1.7
179.03539	3.1
179.05580	1.6
179.10788	1.2
181.06908	1.2
181.12289	1.1
183.10283	1.4
184.05295	0.9
185.06081	5.7
187.04057	6.7
199.07608	5.5
201.05585	2.6
203.07137	6.0
205.05136	1.3
209.06102	1.3
211.04005	1.0
212.04778	0.8
213.05536	4.0
225.05568	3.6
226.06306	1.2
227.03502	1.0
227.07120	6.5
229.04959	1.8
243.06606	32.3
244.07086	1.8
245.08148	3.6
249.06094	1.6
250.06284	1.2
253.05057	7.5
255.06636	1.3
267.06738	1.6
271.06088	98.2
272.06351	8.9
277.22189	0.9
289.06949	8.7
290.07611	0.9
291.06375	1.1
295.05994	1.3
307.09674	2.2
331.09717	3.1
349.10730	2.9
357.07678	2.0
375.08682	7.1
393.09790	39.5
394.10062	5.8
405.11877	2.0
433.11182	5.3
473.16583	1.9
474.16327	1.0
555.15674	7.2
555.25702	17.8
556.14752	1.5
556.25305	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83576	0.6
55.01871	1.2
57.03445	6.1
58.00592	1.2
58.42469	0.8
59.01381	11.2
61.98830	1.6
64.23676	0.7
68.99827	0.9
69.03464	5.7
71.01385	13.3
71.16951	1.9
72.99319	3.5
73.02953	2.5
75.00876	35.8
75.04119	0.8
83.01398	1.3
84.02154	1.0
85.02962	12.1
87.00887	12.2
87.04516	3.9
89.02466	3.4
95.50945	0.7
97.02961	9.2
99.00909	6.9
101.02427	1.9
103.00368	0.9
111.00875	0.8
113.02456	1.5
115.04027	1.1
129.01955	12.2
131.03459	0.8
135.08151	0.9
137.09740	7.9
138.10179	0.8
139.11325	0.9
141.01950	4.7
155.10794	50.4
156.11192	3.4
159.02979	3.0
169.12355	1.2
177.04059	49.0
178.04396	2.1
181.08694	3.6
189.05586	12.8
190.05917	1.1
195.05122	1.6
199.09784	25.6
200.10127	1.0
205.72459	0.7
213.11345	2.1
241.10863	8.6
359.13406	6.3
377.14484	8.8
419.15991	1.2
479.17822	2.3
501.16235	1.8
502.15814	1.1
537.18170	24.6
538.18390	4.1
555.19342	100.0
556.19672	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11504	0.1
59.01376	24.2
60.01701	0.2
61.98823	1.1
66.18285	0.2
78.95905	19.7
85.38353	0.2
94.70526	0.1
96.04625	0.1
96.96979	0.4
122.98544	0.3
134.98587	0.2
143.38150	0.1
152.73422	0.1
152.99594	3.1
168.04333	3.3
194.05891	0.1
200.48085	0.1
209.48747	0.1
224.06923	8.3
225.07294	0.3
229.77321	0.2
229.79338	0.2
242.05763	0.2
242.07996	1.9
255.23271	100.0
256.23602	11.0
262.44574	0.1
285.20593	0.2
391.22198	0.2
472.34985	0.2
480.30917	68.6
481.31281	11.8
483.84335	0.2
495.26901	0.2
554.33850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67516	0.2
57.03447	0.4
57.71257	0.1
58.00592	0.2
58.02531	0.2
59.01377	31.6
60.99316	0.3
61.98828	100.0
62.98537	0.2
68.99789	0.2
69.03443	0.2
69.40362	1.3
71.01383	5.8
72.99328	0.5
73.02953	1.0
74.97618	0.1
75.00876	0.7
78.95937	0.2
81.03465	0.2
83.01421	0.7
83.05042	0.2
85.02950	1.4
87.00881	0.8
87.04547	0.5
88.98812	3.1
89.02451	6.9
93.03461	3.7
93.04006	0.2
94.03832	0.7
94.06640	0.3
95.01424	0.4
95.05038	0.1
96.96034	1.0
97.02982	0.3
99.00890	0.4
99.04543	0.2
101.02449	3.8
101.03087	0.2
107.01446	0.2
107.05093	0.4
108.02184	1.7
108.02803	0.2
109.03021	1.4
110.03349	0.3
113.02447	2.3
116.92847	0.8
117.92905	0.2
119.03533	2.5
119.05077	0.6
121.02972	0.8
122.03447	0.1
123.00900	0.3
123.04547	0.9
124.04951	0.2
125.02440	1.3
126.02872	0.2
131.03572	0.6
131.85973	0.2
133.03009	0.5
134.03787	0.5
135.04547	2.1
135.05495	0.2
136.01701	0.3
137.02464	8.2
137.09761	0.3
138.02795	1.9
139.04034	0.2
141.27727	0.2
143.03476	0.7
145.03017	0.8
147.04594	0.3
149.02486	0.3
149.04642	0.4
149.99594	1.0
150.03134	0.2
151.00356	0.7
151.04100	0.6
152.01213	1.3
153.01982	1.0
153.05653	0.6
155.10803	1.8
156.11208	0.7
159.03212	0.2
160.01718	0.4
161.02550	0.8
161.04547	1.7
161.05705	0.2
163.04076	0.4
164.83856	0.2
165.01993	0.2
165.05553	0.8
167.03586	0.3
168.00719	0.3
169.01324	0.2
173.04619	0.2
175.02670	0.2
175.04042	0.8
177.02103	0.5
177.04131	0.5
179.03479	1.0
179.05624	5.1
179.10849	0.2
180.03922	0.2
183.14101	0.2
187.07785	0.2
189.01994	0.2
193.05203	0.3
195.05272	0.2
199.09731	1.0
200.10266	0.6
205.05148	0.2
212.70306	0.2
221.04771	0.3
227.03574	0.2
239.05789	0.2
255.02934	0.2
271.06366	0.6
285.04272	0.2
287.05908	0.3
289.07339	0.3
301.13297	0.2
359.15472	0.3
360.77621	0.2
362.15659	0.3
363.24033	0.2
371.15488	0.2
377.79739	0.2
445.10428	0.5
446.10095	1.5
447.11346	0.2
458.14899	0.7
466.20532	0.3
491.12216	0.5
491.29941	0.2
495.29752	1.9
506.18634	0.2
510.19626	0.2
519.32532	0.2
537.18951	0.2
553.27234	0.5
554.27502	8.2
555.25531	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	553.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47421	0.1
55.01884	0.2
57.03432	0.1
58.00584	0.5
59.01376	100.0
60.01709	1.1
61.98829	2.2
69.03455	1.1
70.03775	0.2
71.01382	9.1
71.59595	0.1
72.01721	0.3
72.99303	0.7
73.02950	0.6
75.00887	0.1
75.09145	0.1
76.06587	0.1
78.91886	0.3
79.01882	0.1
81.03452	0.2
82.60641	0.1
83.01389	0.4
84.89362	0.1
85.02959	1.7
86.03300	0.1
87.00877	0.8
88.01227	0.1
88.98779	0.1
89.02448	14.3
90.02774	0.2
93.03447	0.2
95.01399	0.6
97.02966	0.7
98.03255	0.2
99.00867	0.2
101.02452	5.6
102.02768	0.2
105.01923	0.2
105.51667	0.1
107.01384	0.6
108.02242	0.8
109.02470	0.2
109.03087	0.1
110.02596	0.1
113.02457	3.9
114.02782	0.1
115.02933	0.1
115.03992	0.1
119.03511	5.6
119.04980	0.3
120.03829	0.1
121.02930	0.3
123.00867	0.2
123.04507	0.2
125.02460	2.1
126.02794	0.4
127.02821	0.1
131.03496	0.9
135.00903	0.8
135.04500	0.1
136.01210	0.3
137.01419	0.2
137.02437	0.4
143.03505	1.6
144.03842	0.1
145.02940	0.2
147.04463	0.1
149.02502	0.1
149.04584	0.5
151.00397	0.8
151.03934	0.1
152.01164	1.7
153.01527	0.6
153.05560	0.2
154.01613	0.4
155.23799	0.1
159.02968	0.1
161.02458	0.2
161.04568	2.2
162.04893	0.1
163.03938	0.2
165.09238	0.4
167.03491	0.1
169.11044	0.1
169.12350	1.3
170.12610	0.1
172.70468	0.1
175.03876	0.1
177.01964	0.1
179.05614	4.6
180.05878	0.2
205.07033	0.1
206.07451	0.1
207.02887	0.1
221.06677	0.6
229.64209	0.1
242.05849	0.4
243.06572	1.5
244.06883	1.2
245.07111	1.1
246.62440	0.1
262.30069	0.1
263.07526	0.2
267.80029	0.1
271.02008	0.1
271.05960	0.1
300.02515	0.1
301.02878	0.1
323.09796	1.8
324.09796	0.1
387.10437	0.1
389.11038	0.1
407.12128	0.2
444.11963	0.1
445.12271	0.5
493.28021	0.6
517.09668	0.1
553.17706	1.3
553.29297	0.5
554.17834	0.2
554.30139	0.1
584.78333	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	553.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30218	0.1
55.01879	0.1
55.71966	0.1
57.03447	0.2
58.00591	0.4
59.01376	100.0
60.01714	1.1
61.98833	1.7
69.03452	0.8
71.01381	7.2
72.01722	0.1
72.99292	0.7
73.02960	0.5
75.00849	0.1
78.91901	0.2
79.01917	0.2
83.01403	0.3
85.02961	1.5
87.00907	0.6
89.02448	12.2
90.02785	0.2
91.23380	0.1
93.03461	0.2
95.01419	0.5
97.02951	0.8
98.20123	0.9
101.02456	4.6
102.02838	0.2
107.01426	0.4
108.02206	0.7
109.02496	0.1
113.02459	4.1
114.02808	0.1
119.02654	0.3
119.03516	5.2
119.04933	0.2
121.03020	0.3
123.00871	0.2
123.04527	0.2
125.02465	1.7
126.02799	0.2
131.03510	0.9
135.00943	0.6
136.01273	0.2
137.01447	0.2
137.02505	0.4
143.03510	1.6
145.02979	0.2
149.04532	0.7
151.00403	0.6
152.01137	1.2
153.01544	0.4
154.01738	0.2
161.02454	0.1
161.04564	1.7
165.09195	0.2
169.12332	0.9
179.05611	4.0
179.07188	0.2
180.05948	0.2
205.07243	0.2
221.06703	0.3
242.05983	0.3
243.06601	0.9
244.06822	0.8
245.07100	0.7
271.06058	0.2
297.25671	0.1
323.09879	1.1
337.57541	0.2
445.12479	0.3
456.11755	0.2
493.28415	0.4
494.28601	0.1
553.17566	0.9
553.31519	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79465	0.2
55.01881	0.3
57.03440	0.7
58.00591	1.1
59.01377	100.0
60.01713	1.1
61.98828	6.0
71.01382	15.2
71.05020	0.3
72.99316	1.0
73.02973	0.8
75.00871	0.4
79.72685	0.2
80.91685	0.3
83.01410	1.0
84.33346	0.2
85.02956	2.9
87.00897	1.1
88.98806	0.2
89.02448	27.7
90.02785	0.3
93.03472	1.3
95.01426	0.8
96.96049	0.4
101.02460	7.8
108.02180	0.6
109.02962	1.7
113.02468	6.7
116.92901	1.7
119.03512	10.4
119.04857	0.4
120.03827	0.3
121.02988	0.6
123.04571	0.3
125.02488	1.8
128.90202	0.9
129.02014	0.5
131.03548	1.0
133.02940	0.3
137.02478	3.7
139.04016	1.8
139.11296	0.5
143.03503	2.8
145.02968	0.4
149.04601	1.1
151.00418	0.6
152.01279	0.4
153.01964	1.5
161.02499	0.6
161.04564	3.3
165.05597	2.7
167.03526	0.3
179.05621	17.4
180.05992	0.6
183.03024	0.4
183.10281	0.5
225.11441	0.4
239.07750	0.3
245.75345	0.3
259.06192	0.8
269.04553	0.8
287.05692	0.8
300.02621	0.3
301.03226	0.9
470.30859	0.3
490.10822	0.8
553.23633	4.1
554.23761	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82340	0.4
55.01875	0.8
57.03443	1.2
58.00578	0.9
59.01376	28.1
60.01714	0.5
61.98830	9.8
67.29166	0.3
69.03463	0.9
69.31918	3.5
71.01382	19.2
71.05044	0.4
72.99309	1.0
73.02949	8.3
75.00866	3.3
78.95874	0.5
81.03445	0.4
83.01384	2.0
85.02956	6.7
87.00874	2.7
87.04559	0.6
88.98820	0.9
89.02448	16.5
93.03465	1.6
95.01379	1.1
96.95994	0.9
97.02966	0.8
98.19851	0.7
99.00880	1.3
99.04514	0.4
101.02448	14.0
108.02209	0.5
109.02956	1.2
111.00896	1.5
111.08179	0.9
113.02455	6.9
115.03991	0.8
117.03501	0.6
119.03510	6.0
119.05049	1.1
121.02991	1.5
123.04542	0.7
125.02460	1.6
129.01961	0.4
131.03523	1.6
133.02975	0.7
137.02461	2.8
139.00386	5.8
143.03516	1.5
145.02994	2.4
146.03287	0.6
149.04521	0.4
151.00378	0.7
151.03986	0.7
153.01939	0.5
158.56537	0.4
159.03029	0.4
161.02438	2.5
161.04526	2.1
163.03986	0.8
163.06128	2.4
164.98264	0.9
165.05580	0.9
165.12854	8.6
166.13147	0.5
167.14365	1.0
168.00647	0.7
175.03976	0.6
177.04063	0.8
179.03491	0.6
179.05673	1.9
179.10724	0.8
181.07193	15.6
181.12187	0.4
182.07518	0.8
182.99329	3.3
183.13916	28.3
184.14207	1.8
193.05235	0.5
195.05151	2.0
195.06628	0.5
195.13875	0.7
197.15488	11.9
198.15886	0.4
207.13905	1.4
209.11902	1.3
211.07774	0.6
225.14919	2.2
227.10725	0.9
227.12874	11.9
228.13132	0.8
241.14381	0.7
251.12943	1.2
269.13910	1.4
271.05936	0.5
285.04041	0.6
287.05484	0.4
287.94077	0.4
289.07208	0.8
289.88852	0.4
301.03253	0.5
325.11438	1.1
331.15665	0.4
343.12466	11.8
344.12924	0.6
375.27298	0.6
473.16568	0.5
517.13263	0.8
535.24060	0.7
553.24976	100.0
554.25470	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	553.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
57.03442	1.5
58.00579	1.2
58.03483	0.2
59.01376	28.6
60.01719	0.4
61.43435	0.3
61.98828	4.6
68.99837	0.2
69.03454	0.9
69.56216	2.0
71.01380	19.8
72.01709	0.4
72.99322	1.6
73.02942	4.6
75.00864	1.2
78.95897	0.3
81.03456	0.3
83.01392	1.4
85.02953	6.0
87.00869	1.4
88.98811	0.5
89.02446	18.1
91.04000	0.2
93.03458	1.5
95.01376	0.9
96.96019	3.4
96.96956	0.5
97.02964	1.2
98.95586	0.8
99.00891	1.6
99.04544	0.4
101.02451	17.4
102.02739	0.4
109.02985	0.6
111.08161	0.8
113.02462	6.8
115.00397	0.3
115.04036	0.4
115.92081	0.7
116.92886	1.9
117.03479	0.5
119.03516	7.0
119.04973	0.6
120.03775	0.3
121.02960	0.4
123.04551	0.4
125.02472	1.2
127.03999	0.3
129.01949	0.3
131.03564	1.3
135.04535	0.3
137.02469	2.9
143.03534	1.0
145.02954	2.8
145.05034	0.5
149.04538	0.5
159.02962	0.4
161.02460	0.4
161.04582	1.5
163.04007	0.4
163.06119	3.6
165.12851	7.7
166.13280	0.5
167.14389	0.9
175.04120	0.4
177.04063	0.4
179.03522	0.7
179.05630	1.7
179.06964	0.3
179.10742	0.4
179.14418	0.3
181.07181	12.8
181.12395	0.3
182.07585	0.7
183.13907	29.3
184.14244	2.0
185.06128	0.3
195.13899	0.5
197.15468	11.3
198.15771	1.1
205.07156	0.6
207.13982	1.2
209.11827	1.2
225.14923	1.7
225.46762	0.3
227.12883	9.7
228.13150	0.7
239.05533	0.3
241.14461	0.9
251.12897	1.0
269.04401	0.5
269.13919	1.1
271.05725	0.3
275.54495	0.3
325.11328	1.1
335.96326	0.3
343.12457	13.6
344.12802	0.9
455.51028	0.3
473.16452	0.4
500.60864	0.3
513.07050	0.3
535.24182	0.5
553.24933	100.0
554.25409	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	553.2284
Annotation	TMC 2C
Peak:m/z	Relative Intensity
50.55228	0.4
55.01878	0.4
57.03442	1.1
59.01377	17.2
61.98831	15.2
69.03457	1.3
70.34473	1.8
71.01393	5.9
72.99317	1.1
73.02950	9.6
73.83558	0.4
75.00893	0.9
79.95739	0.5
81.03470	2.1
83.01402	1.0
85.02952	4.4
87.00882	0.7
87.04529	0.4
88.98814	0.9
89.02442	5.4
93.03458	3.0
95.01414	2.7
96.96027	4.3
97.02982	0.8
99.00861	0.5
99.81357	0.4
101.02467	2.6
102.10960	0.4
107.01431	0.4
108.02189	70.9
109.02979	39.3
109.04059	0.6
110.03295	1.7
111.00861	0.6
113.02477	1.6
116.92874	0.4
117.03499	0.7
119.03532	1.8
119.05032	1.2
121.02974	2.5
123.00882	2.8
123.04544	2.4
125.02465	3.6
127.14426	0.4
131.03525	0.4
133.03038	1.0
134.03751	0.8
135.00902	1.3
135.04556	1.7
137.02469	3.9
139.04036	0.8
141.81064	0.5
143.03540	0.4
145.02988	1.9
149.02414	0.7
151.00381	1.8
151.04045	1.3
152.01170	63.0
153.01965	21.3
154.02379	0.9
155.10808	0.4
160.01697	0.7
161.02417	1.5
161.04558	0.6
163.04024	1.8
165.01945	1.6
165.05588	0.7
173.04558	0.4
175.04001	1.4
175.14902	0.4
177.01949	1.0
177.04086	0.5
179.03545	0.5
179.05621	2.1
181.12274	1.1
183.03081	0.5
183.06699	0.9
183.10295	0.4
189.05450	0.4
192.04314	1.3
193.05035	0.6
197.11699	0.5
207.06592	3.0
225.11339	0.6
227.03445	0.5
229.08655	0.7
243.06525	0.7
244.06914	0.5
255.15993	5.0
259.06116	1.9
269.04449	1.9
287.05557	1.7
301.03268	1.2
302.03702	0.4
331.15500	0.5
339.07227	0.5
409.42725	0.4
452.44064	0.4
473.16833	0.7
490.10599	0.6
514.67780	0.5
553.22772	100.0
554.23236	19.2
582.51605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63272	0.6
57.03438	1.8
58.00581	1.7
59.01374	85.3
60.01725	0.8
61.98827	34.7
69.03465	0.9
69.33092	7.1
71.01379	28.2
72.01698	0.6
72.99307	2.7
73.02937	4.1
75.00868	2.6
76.88342	0.7
81.40114	0.7
83.01399	2.7
85.02955	9.0
87.00877	2.3
87.13396	0.7
88.98817	2.3
89.02445	33.1
90.02780	0.8
93.03469	6.5
95.01386	1.8
96.96024	1.0
97.02945	0.7
99.00886	1.6
101.01785	1.4
101.02448	25.1
102.69343	0.7
107.01422	1.1
108.02197	1.3
109.02982	2.1
111.00864	1.3
113.02457	13.0
116.92892	0.8
117.03477	1.4
119.03510	11.9
119.05017	1.7
121.02949	2.3
123.04530	1.2
125.02441	3.3
131.03479	2.5
135.04507	1.9
136.01689	1.6
136.49713	0.6
137.02454	15.2
138.02827	0.7
139.00363	2.6
143.03500	2.4
145.02959	4.6
147.02904	0.9
149.02330	0.8
149.04539	1.3
149.06055	0.9
150.03152	1.0
151.00423	3.9
151.04034	0.9
152.00827	1.2
153.01807	0.8
160.01674	1.1
161.02408	2.1
161.04543	3.0
163.00365	0.8
163.03951	1.4
163.06140	4.7
163.07349	0.7
165.05617	1.1
165.12852	8.3
166.13242	0.9
167.14474	0.7
168.00624	1.2
174.03285	0.7
174.11555	0.6
175.03909	0.9
177.01950	0.8
177.04106	0.8
178.99844	1.1
179.03517	2.9
179.05606	6.0
181.07169	13.1
181.12401	0.7
182.99318	1.1
183.13905	23.0
184.14281	1.6
193.05009	0.9
195.05028	1.1
197.15477	6.6
205.05148	0.8
207.13844	1.0
209.11754	1.0
211.07564	1.2
227.03314	0.9
227.12852	9.5
237.01263	0.8
239.05585	1.5
243.02879	1.6
244.03227	2.1
251.12903	1.2
255.02936	5.0
256.03265	6.6
257.03778	0.9
269.13867	1.0
271.02472	8.9
271.05630	1.0
272.02829	14.7
273.03143	1.4
289.06982	1.3
292.28046	0.7
299.89313	0.7
300.02716	20.3
300.44540	0.7
301.03122	32.9
302.03555	7.2
325.11032	0.8
331.06665	0.8
343.12433	24.9
343.16467	1.5
344.12769	2.2
473.16513	1.3
489.10306	2.0
490.10690	49.3
491.10776	7.3
493.24420	0.8
505.18845	1.4
553.25067	100.0
553.68402	1.0
554.25586	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	553.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55228	0.4
55.01878	0.4
57.03442	1.1
59.01377	17.2
61.98831	15.2
69.03457	1.3
70.34473	1.8
71.01393	5.9
72.99317	1.1
73.02950	9.6
73.83558	0.4
75.00893	0.9
79.95739	0.5
81.03470	2.1
83.01402	1.0
85.02952	4.4
87.00882	0.7
87.04529	0.4
88.98814	0.9
89.02442	5.4
93.03458	3.0
95.01414	2.7
96.96027	4.3
97.02982	0.8
99.00861	0.5
99.81357	0.4
101.02467	2.6
102.10960	0.4
107.01431	0.4
108.02189	70.9
109.02979	39.3
109.04059	0.6
110.03295	1.7
111.00861	0.6
113.02477	1.6
116.92874	0.4
117.03499	0.7
119.03532	1.8
119.05032	1.2
121.02974	2.5
123.00882	2.8
123.04544	2.4
125.02465	3.6
127.14426	0.4
131.03525	0.4
133.03038	1.0
134.03751	0.8
135.00902	1.3
135.04556	1.7
137.02469	3.9
139.04036	0.8
141.81064	0.5
143.03540	0.4
145.02988	1.9
149.02414	0.7
151.00381	1.8
151.04045	1.3
152.01170	63.0
153.01965	21.3
154.02379	0.9
155.10808	0.4
160.01697	0.7
161.02417	1.5
161.04558	0.6
163.04024	1.8
165.01945	1.6
165.05588	0.7
173.04558	0.4
175.04001	1.4
175.14902	0.4
177.01949	1.0
177.04086	0.5
179.03545	0.5
179.05621	2.1
181.12274	1.1
183.03081	0.5
183.06699	0.9
183.10295	0.4
189.05450	0.4
192.04314	1.3
193.05035	0.6
197.11699	0.5
207.06592	3.0
225.11339	0.6
227.03445	0.5
229.08655	0.7
243.06525	0.7
244.06914	0.5
255.15993	5.0
259.06116	1.9
269.04449	1.9
287.05557	1.7
301.03268	1.2
302.03702	0.4
331.15500	0.5
339.07227	0.5
409.42725	0.4
452.44064	0.4
473.16833	0.7
490.10599	0.6
514.67780	0.5
553.22772	100.0
554.23236	19.2
582.51605	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65091	0.2
59.01372	0.8
60.99306	14.4
61.98518	0.3
61.98831	6.1
63.04556	0.2
71.01405	1.0
73.02955	0.2
75.00871	0.6
78.95926	0.2
85.02971	0.8
87.00887	0.2
88.98814	100.0
89.99160	1.3
93.03485	0.3
96.96034	0.2
96.96954	0.2
97.78410	0.2
98.19871	0.6
101.02467	0.4
108.02156	0.2
113.02406	0.3
114.24551	0.2
116.92863	0.7
123.04515	0.2
129.02002	0.4
134.03755	0.4
137.02467	1.0
141.05559	0.2
147.03029	0.2
153.09311	0.4
160.01662	0.2
163.04021	0.2
175.04050	0.4
177.04100	0.7
179.03506	0.4
191.02145	0.2
193.05072	0.7
195.06738	0.2
225.54851	0.2
229.59975	0.3
355.10406	0.5
375.13071	0.3
437.65814	0.2
449.84610	0.2
463.14359	1.6
490.16476	0.4
553.16974	0.9
554.17822	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46294	0.2
57.03447	0.6
58.00579	0.3
59.01378	2.6
60.99303	14.1
61.98829	14.3
62.66406	0.2
63.99249	0.4
69.03423	0.2
71.01377	3.7
71.35513	0.5
72.99307	1.1
73.02944	0.8
75.00880	1.8
78.95886	0.5
83.01416	0.3
85.02956	2.6
85.33981	0.3
85.48948	0.2
87.00891	1.9
88.98811	100.0
89.02450	1.2
89.99149	1.3
93.03452	0.7
96.96967	0.4
97.02970	0.3
97.06633	0.3
99.00876	0.7
99.17823	0.2
101.02446	1.4
109.02940	0.2
113.02468	0.8
115.00385	0.9
116.92873	0.6
119.03524	0.4
120.99751	0.2
123.59710	0.2
125.02465	0.3
129.01962	1.6
137.02495	1.2
137.90308	0.3
141.05571	0.2
147.02983	1.9
153.09236	1.4
155.10838	0.3
159.02997	0.7
165.05521	0.3
174.22266	0.3
177.02599	0.4
177.04039	2.4
179.03502	0.4
180.21535	0.3
181.05153	0.4
181.07129	0.5
191.01988	0.3
191.05623	0.5
193.05101	0.7
195.05112	1.4
197.08194	0.5
199.09827	0.3
239.05551	0.3
355.10132	0.3
375.13000	1.3
433.13187	0.4
463.14368	1.2
464.14682	0.4
465.15063	0.3
490.16220	0.9
535.17157	0.8
553.17548	5.0
554.18378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1769
Annotation	Bidebiline B
Peak:m/z	Relative Intensity
55.01859	1.1
56.55732	0.6
57.03451	6.1
58.00580	1.1
59.01377	22.4
59.97028	0.6
60.93752	0.6
61.98812	1.5
68.99787	1.0
69.03458	3.1
69.63952	2.7
69.64365	1.8
70.79721	0.6
71.01382	27.9
72.01718	0.7
72.99301	4.0
73.02945	4.5
75.00873	28.1
76.67517	0.7
83.01409	3.1
84.02175	1.0
85.02956	18.6
87.00880	11.2
87.04506	0.8
88.98787	1.9
89.01939	0.8
89.02446	13.2
96.96019	1.3
97.02949	5.9
98.19864	0.6
99.00881	6.5
99.04499	0.9
101.01923	0.7
101.02456	10.0
103.00328	2.0
104.34530	0.6
108.11153	0.6
110.15047	0.6
111.00838	1.8
111.04480	0.7
113.02467	4.6
115.04039	0.9
117.01900	1.5
119.03474	2.8
119.05024	1.0
121.02917	0.7
125.02357	1.8
129.01952	15.6
131.03439	2.1
133.10205	2.7
135.08173	3.4
137.02409	1.2
137.09663	1.3
139.11240	1.5
141.01962	3.1
143.03458	1.4
149.00587	1.0
151.11194	0.8
153.01877	0.9
153.09225	34.8
154.09523	1.6
155.10786	9.1
159.02998	4.9
161.04553	3.6
175.31955	0.6
177.04053	50.0
178.04263	1.4
179.05664	8.7
179.07118	1.8
181.12286	1.3
183.10217	2.1
191.05553	0.8
195.05095	5.9
197.08203	7.3
199.09868	3.7
221.06555	2.1
225.11215	1.6
239.09122	1.7
241.10631	0.8
243.12314	5.5
244.12524	0.9
285.13040	1.4
331.17487	1.1
339.10345	0.7
357.11884	7.2
375.12958	10.7
376.13120	1.3
377.14346	2.6
405.17264	2.0
417.13797	1.4
449.16397	3.1
473.16779	0.8
477.15970	2.9
486.86966	0.7
493.22946	10.6
494.22797	1.6
499.14154	1.8
509.18756	5.6
535.16571	25.5
536.16943	3.5
553.17383	100.0
554.17908	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	553.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.6
59.01376	7.4
59.86214	0.3
60.01715	0.3
61.58298	0.2
61.98827	11.7
63.02394	2.4
65.00320	6.5
67.01841	0.2
69.03468	0.3
70.06213	0.7
70.06631	0.8
71.01383	1.8
73.02953	0.6
75.00903	0.3
75.59222	0.3
78.95908	2.2
80.67649	0.2
81.03465	0.3
83.01391	4.7
85.02954	1.0
88.98840	0.5
89.01928	0.3
89.02454	1.0
93.03461	15.7
94.03801	0.6
96.96026	0.6
97.02963	0.3
101.02444	1.3
107.01398	12.1
108.99297	0.3
109.02979	0.7
113.02484	1.0
117.03455	0.9
119.05038	29.2
120.05333	1.6
121.02976	0.6
123.04512	0.5
125.02467	3.1
131.01395	1.2
133.02966	0.4
135.04521	0.2
136.07625	0.3
137.02457	28.6
138.02780	1.0
143.05034	0.6
145.02977	2.6
149.02412	0.4
151.00381	41.3
152.00691	2.0
152.99638	2.1
161.02480	0.4
161.04659	0.5
161.06071	0.7
165.01958	2.4
167.01122	0.3
169.01443	2.4
171.00598	0.5
175.00363	3.1
177.01955	4.2
179.03499	0.7
179.05563	0.3
185.06099	1.1
187.03999	1.9
189.01913	0.9
193.01492	0.6
197.11748	0.3
207.02939	0.3
209.11856	1.0
227.03333	0.4
227.07115	1.5
229.05078	0.6
231.06712	1.3
259.06052	0.5
271.06085	100.0
272.06427	9.9
281.06567	2.7
289.18045	0.4
295.06116	3.2
296.06485	0.3
313.07132	0.5
313.18008	1.1
317.19443	0.3
331.19138	1.1
331.22772	0.3
351.83435	0.3
467.16953	0.4
491.13120	0.6
493.27951	0.7
494.27823	0.3
517.31219	0.9
535.23230	0.3
553.12970	0.6
553.23688	1.0
553.32837	0.3
554.24396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35189	0.2
55.25600	0.2
56.77283	0.2
57.03435	0.3
59.01377	1.2
61.98825	1.5
63.02400	0.7
65.00322	12.4
66.00652	0.3
69.26970	1.6
69.27397	0.6
71.01389	0.6
72.96523	0.2
79.01894	0.4
81.03460	0.4
83.01390	4.9
85.02979	0.3
89.02436	0.3
93.03458	0.7
95.01384	0.3
97.02967	0.9
98.20614	0.4
99.95560	0.2
100.90042	0.2
101.02457	0.5
103.01911	0.3
107.01398	19.1
107.05045	0.5
108.01670	0.4
109.02966	2.6
111.00811	0.2
117.03445	0.3
121.02969	1.4
122.40565	0.2
123.00835	0.3
124.33928	0.2
125.02463	4.9
131.01407	1.4
133.03000	0.7
134.03775	1.2
135.04535	73.1
136.04871	3.9
137.02478	0.9
145.02963	0.3
149.02449	0.6
151.00383	100.0
152.00720	4.9
159.04579	0.3
161.02478	1.5
164.01131	0.3
165.01926	1.3
167.03470	0.3
169.01479	1.3
175.00369	6.2
176.00716	0.5
177.01921	0.9
179.03383	0.3
193.01416	1.7
203.03586	0.2
205.01418	0.4
209.11874	1.5
210.12189	0.2
217.01559	0.3
225.05669	0.4
238.37117	0.2
268.05545	0.2
269.04605	0.6
287.05594	99.5
288.05954	10.2
288.09277	0.3
311.05609	0.7
329.06693	0.6
330.50934	0.2
355.24985	0.3
366.63324	0.4
390.40588	0.2
391.08264	0.2
411.44400	0.2
417.08197	1.1
418.08517	0.2
431.10056	0.3
477.85272	0.3
553.13397	2.7
553.26959	0.3
554.13873	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91138	0.6
59.01377	8.6
61.98519	1.2
61.98828	17.4
66.53838	0.5
67.25281	0.5
78.40406	0.6
78.95906	32.9
90.55803	0.7
96.96935	0.8
98.19922	1.5
152.99588	4.6
168.04329	4.8
224.06923	12.7
242.07971	4.3
253.21707	23.7
253.24385	1.2
254.21992	2.1
277.21707	100.0
278.22031	12.8
282.44675	0.5
378.28595	0.7
470.83966	0.6
471.34799	1.4
478.29318	8.4
479.29602	1.1
482.16382	0.7
502.29352	92.3
503.29742	17.4
538.23560	0.7
553.34833	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
59.01376	16.2
63.02391	1.9
65.00322	9.8
66.00651	0.3
68.99827	0.3
69.25420	2.8
71.01375	1.5
72.19159	0.3
76.61429	0.2
79.01906	0.3
80.91980	0.3
81.03442	0.4
83.01386	6.7
85.02940	0.3
89.02458	1.6
91.01885	0.3
93.03463	11.0
94.03790	0.3
97.02964	0.6
101.02461	1.1
103.01863	0.3
107.01398	16.6
108.02228	0.6
108.99348	0.3
109.02932	0.5
113.02445	1.0
117.03468	2.7
119.05035	37.7
120.05387	1.7
121.02982	0.9
123.00877	0.3
125.02459	13.1
126.02763	0.4
131.01390	1.6
132.13312	0.3
133.02951	0.4
135.00848	0.4
136.01651	1.3
137.02460	7.4
138.02869	0.3
139.04005	0.4
143.05029	0.6
145.02965	12.4
146.03291	0.8
149.02429	1.3
151.00381	65.6
152.00706	3.1
157.06531	0.3
161.06073	1.1
163.04002	0.3
164.01190	0.7
165.01921	5.4
169.01448	1.7
175.00394	6.2
176.00838	0.3
177.01941	6.7
178.99974	0.3
179.03523	3.3
179.05115	0.4
179.05571	0.4
185.06094	2.3
187.04015	2.5
188.04401	0.4
189.01967	0.5
189.05609	0.4
193.01448	2.0
199.07718	0.3
201.05380	0.3
205.01390	0.3
219.02924	0.5
227.07137	2.8
229.04994	0.4
239.05515	3.3
240.06065	0.3
259.06107	2.0
271.06094	100.0
272.04169	0.2
272.06412	9.3
281.06656	13.0
282.07071	0.7
285.07565	0.3
287.05569	0.9
295.06128	4.1
296.06439	0.5
313.07132	2.1
407.09830	0.8
433.07654	1.0
459.09323	1.6
553.13434	14.6
554.13617	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	552.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.2
61.98827	100.0
62.98525	0.4
71.01398	0.7
71.63247	0.2
78.95908	3.6
83.01389	0.3
83.05032	0.3
85.02975	0.5
89.02443	0.3
96.96044	0.3
96.96962	0.3
97.06604	0.3
125.02441	0.4
136.93365	0.3
151.00439	0.3
152.99600	3.4
171.00648	1.0
197.11891	0.4
207.92197	0.2
209.11859	1.1
227.03261	0.4
239.12886	0.4
245.19241	0.3
289.18155	0.8
298.12476	0.2
300.02890	0.4
319.72781	0.2
467.16907	0.8
489.10645	0.6
535.23615	0.8
552.32306	0.4
553.24432	0.8
553.31738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.1
61.98827	13.5
71.59439	0.7
74.00938	0.4
78.95904	7.2
83.05007	0.5
98.01176	0.5
104.00434	0.4
113.06107	0.4
125.02548	0.4
151.00397	0.5
152.99579	1.9
168.04291	1.7
193.36729	0.5
224.06796	0.8
226.34232	0.5
227.66643	0.4
239.13004	0.5
242.07988	2.8
247.10344	0.5
277.21710	100.0
278.22070	11.3
457.29547	1.2
458.29758	0.6
489.10474	0.5
494.15927	0.5
502.29370	47.0
503.29608	8.4
553.31335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
58.39725	0.2
59.01371	1.2
61.98826	100.0
62.98546	0.2
66.17844	0.2
69.76339	0.9
71.01400	0.8
73.02940	0.4
75.00869	0.4
85.02524	0.2
85.02943	1.1
87.00848	0.2
89.02444	0.9
98.68688	0.2
99.00890	0.2
101.02464	0.9
113.02443	0.3
117.03476	1.6
119.03534	0.3
119.05038	2.5
129.01965	0.3
130.21541	0.2
145.02959	9.2
146.03310	0.5
153.09204	0.4
155.10802	0.2
161.06084	0.7
163.04013	5.3
163.06108	0.3
164.04398	0.2
177.04089	0.5
177.05585	0.4
181.07095	0.4
187.79558	0.2
191.01959	0.3
195.05136	0.3
205.05023	0.9
235.06171	0.3
265.07120	0.7
343.12137	0.2
359.24008	0.2
375.12643	0.4
399.58929	0.2
489.16083	23.8
490.16443	4.0
535.16315	0.2
552.20074	0.2
553.17273	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	552.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01381	2.3
61.75039	0.2
61.98828	100.0
71.01387	2.3
71.15408	0.5
71.15755	0.2
72.99326	0.3
73.02950	0.6
75.00871	2.6
85.02954	2.3
87.00891	0.7
89.02466	0.8
93.27047	0.2
97.02937	0.2
99.00888	0.4
101.02458	1.1
103.00435	0.2
111.00911	0.2
113.02467	0.6
117.03506	1.5
119.03590	0.2
119.05035	2.1
124.42841	0.2
125.02438	0.3
129.01970	0.9
133.06639	0.3
142.44688	0.2
145.02968	9.2
146.03339	0.6
147.02950	0.3
150.03166	0.2
153.09192	1.2
155.10854	0.5
161.04836	0.2
161.06143	0.8
163.04007	3.8
164.04378	0.3
165.05609	0.3
177.04094	2.1
177.05634	0.5
181.07230	0.7
191.02072	0.8
193.05042	0.3
195.05170	0.5
195.09923	0.2
197.08195	0.5
199.59805	0.2
205.05026	1.4
235.06038	0.5
244.50848	0.2
265.07101	1.1
307.08411	0.2
326.16055	0.2
343.12466	0.4
372.12732	0.3
375.12909	1.3
392.75037	0.2
489.16110	23.8
490.16431	3.8
535.16809	0.7
552.19299	0.5
553.17523	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	552.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35269	0.7
53.61230	0.8
59.01364	2.0
61.98835	17.4
65.00315	0.9
69.51797	0.7
69.52380	5.6
69.52679	0.6
82.86388	0.8
98.20729	0.8
107.01415	2.1
109.02969	1.5
121.02970	1.8
123.76482	0.7
148.01675	1.2
151.00371	9.2
163.00366	2.2
168.51659	0.7
178.99896	5.9
226.02692	0.8
227.03510	2.8
239.03487	0.8
243.02951	6.3
245.04538	1.3
254.02190	1.6
255.02972	20.5
256.03339	2.0
256.14359	0.8
269.26517	0.7
271.02469	40.2
272.02878	5.2
273.04050	1.2
283.02441	1.3
299.01904	1.1
300.02753	84.8
301.03470	41.7
302.03912	3.0
447.09409	1.3
489.10382	100.0
490.10672	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19757	0.5
57.03428	0.9
57.71039	0.4
58.00609	0.7
59.01376	17.4
61.98832	51.1
69.52077	3.2
69.52488	1.1
69.81255	0.5
71.01379	6.2
73.02954	1.7
83.01401	1.1
85.02950	2.6
87.00887	0.6
88.98802	0.8
89.02446	6.1
93.03474	2.3
95.01382	0.7
98.19875	1.0
101.02454	6.2
107.01393	1.4
108.02200	1.2
109.02960	1.2
113.02461	3.5
119.03502	1.8
119.05016	1.1
121.02988	1.8
124.01663	0.8
125.02438	1.2
131.03516	0.8
135.00845	1.0
135.04536	1.6
137.02452	5.4
139.00391	1.5
139.04039	0.5
143.03470	0.6
145.02950	1.4
148.01689	1.1
151.00375	6.6
153.01913	0.5
161.02428	1.0
163.00375	1.4
163.04077	0.9
163.06110	0.7
164.01183	0.8
165.05568	0.8
165.12820	2.1
175.04022	1.0
177.03998	0.8
178.99844	3.4
179.03513	0.9
179.05688	0.8
180.06761	0.6
181.07205	1.9
183.04552	0.6
183.13873	5.0
185.32533	0.5
197.15462	1.2
216.04211	0.8
226.02725	1.1
227.03482	2.0
227.12939	2.6
236.10924	0.6
243.02946	8.9
244.03650	0.6
245.04448	0.8
254.02167	2.0
255.02962	22.8
256.03366	1.9
271.02469	48.0
272.02893	4.9
292.43002	0.6
299.01987	2.0
300.02753	100.0
301.03363	23.1
302.03955	1.9
343.12531	4.5
365.13943	0.6
373.25827	0.7
405.57224	0.5
429.08707	0.6
479.47131	0.6
489.10361	99.2
490.05469	0.4
490.10706	17.4
551.30469	2.3
552.24158	1.6
552.31335	1.4
553.25165	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	551.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	0.8
59.01375	11.4
61.98828	5.5
71.01381	2.8
71.46748	0.6
71.58038	0.8
74.71768	0.5
75.07652	0.5
75.97308	0.5
85.02947	1.2
89.02451	2.1
97.15589	0.5
99.56536	0.5
101.02444	1.8
113.02470	0.7
119.03498	0.9
121.12891	0.6
161.04648	0.7
198.36861	0.7
235.08206	3.0
253.09276	11.5
254.09700	0.8
255.23280	100.0
256.23611	10.6
269.95477	0.6
300.58011	0.6
315.85971	0.6
366.91309	0.6
408.05533	0.6
418.31479	0.7
433.96860	0.7
491.32199	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63776	0.7
55.01868	2.1
57.03444	4.2
58.00584	3.1
59.01375	69.0
60.01708	1.3
61.01803	0.8
61.98526	1.2
61.98827	24.1
69.03440	3.0
70.70117	0.9
71.01381	40.8
71.05023	1.0
71.59339	1.3
72.01685	1.1
72.99303	4.8
73.02542	1.5
73.02946	22.5
75.00867	8.1
78.95875	0.9
79.52330	0.7
83.01392	5.1
83.04986	0.7
85.02950	15.4
86.03301	1.1
87.00880	5.7
87.04506	2.6
88.98790	0.9
89.02448	41.6
90.02780	1.4
91.02872	0.9
92.34479	0.7
93.03465	1.5
95.01392	2.8
95.05000	1.1
96.15097	0.7
97.02949	3.0
97.06558	0.9
99.00887	2.3
101.02444	29.0
102.02785	0.8
104.53764	0.6
107.01427	0.7
109.02959	1.8
111.00874	1.6
111.04520	1.4
113.02444	16.2
114.02760	1.3
116.92873	6.3
117.03425	1.4
119.03514	16.5
119.04994	2.9
120.03841	0.9
121.02953	1.1
123.04529	1.2
124.04089	1.5
125.02440	3.3
125.09689	1.2
129.01961	3.8
131.03493	2.2
132.02193	1.3
133.02942	2.3
135.04547	1.4
135.81282	0.8
137.02397	2.6
137.09657	1.3
141.09230	0.8
143.03477	2.3
145.02979	6.3
145.05017	1.0
147.02968	0.7
149.04567	1.2
151.00273	1.6
151.04033	1.2
152.01140	1.0
153.01958	1.9
153.09097	0.9
155.10773	4.2
159.03008	0.9
160.01656	4.8
161.02481	8.1
161.04555	4.2
161.05962	1.4
161.09732	1.2
162.02881	1.0
163.04042	3.7
163.06113	4.5
163.11244	2.3
164.06506	1.0
167.03470	2.2
168.03053	1.9
169.12357	1.1
171.10213	1.3
175.03947	2.6
177.04051	6.0
179.05637	4.4
179.10753	2.7
180.11362	0.8
181.07191	5.5
181.12381	12.3
182.07457	1.0
182.12595	1.5
183.07591	1.3
183.10344	1.0
191.05714	1.0
195.05066	3.3
195.13892	2.2
199.09679	1.6
201.11331	4.1
203.10803	1.5
205.05054	1.7
205.07108	0.8
209.04454	0.9
209.08188	1.0
211.03970	1.6
211.07550	0.9
215.12886	1.5
225.11308	6.1
242.09480	4.3
255.15993	4.0
257.11816	2.9
259.06058	0.8
270.08899	3.6
281.04550	1.2
282.08948	1.8
283.09720	1.0
285.11212	5.0
293.21008	1.0
295.09814	1.4
298.08405	4.0
310.08429	2.7
311.09119	2.6
311.22049	1.1
313.10776	3.6
323.09430	1.5
324.10019	1.7
325.11124	7.7
326.07874	4.6
326.11691	3.6
327.11810	3.6
340.13052	1.6
341.10281	34.0
342.10739	4.7
343.12424	3.6
344.12866	4.7
345.12866	6.9
346.13205	0.9
355.11398	0.9
356.12656	9.2
357.13016	1.7
359.24405	1.3
371.14978	45.6
371.24435	3.5
372.15283	6.7
377.14337	1.9
389.15308	1.4
389.25446	15.9
390.25613	1.1
403.16135	1.7
404.16806	0.8
477.27109	1.5
489.13965	1.0
491.28653	1.3
507.23114	1.6
521.29706	1.2
533.18585	0.8
533.29602	1.4
533.78168	0.9
551.22693	38.6
551.30609	100.0
552.22937	6.0
552.30951	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	551.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.14991	0.3
57.03437	1.3
58.00588	2.0
59.01375	9.4
61.98828	21.0
62.98523	0.4
63.99252	0.4
69.03444	0.3
69.59524	2.2
71.01377	5.4
72.99291	0.6
73.02950	3.3
75.00882	2.3
77.23422	0.3
83.01381	0.8
85.02953	2.7
87.00873	0.8
87.04516	2.7
88.98785	0.4
89.02448	3.2
90.91063	0.3
91.01883	0.5
93.03469	0.4
95.01407	0.5
95.05016	0.7
97.06596	1.6
98.20618	0.6
99.00877	0.3
101.02452	3.9
108.02188	1.7
109.02981	1.6
109.06629	0.3
113.02470	2.2
113.06095	1.1
115.07575	0.3
116.92863	1.1
119.03461	0.7
119.05052	0.9
121.02968	0.3
123.08154	1.1
125.02464	0.4
125.09729	9.4
126.10052	0.6
127.11292	1.2
129.02002	0.3
133.01463	0.5
135.00882	1.2
135.04517	0.3
137.02426	1.1
137.09726	0.5
139.07721	0.8
145.02942	0.9
149.09662	0.3
153.01909	1.0
153.09216	1.2
155.10780	2.0
157.08693	1.8
161.02448	0.9
161.04535	1.1
163.04010	0.9
163.11272	0.5
171.10284	2.5
173.11737	0.3
177.04062	0.5
177.05568	0.3
181.07185	1.0
181.12344	2.5
183.10310	0.6
187.09778	0.7
188.13370	0.3
195.13918	0.5
198.06822	0.3
199.09744	1.2
201.11320	100.0
202.09731	0.4
202.11656	7.2
223.13356	0.4
225.11244	1.7
226.11433	0.4
227.12802	0.7
231.12393	0.9
301.20038	0.4
371.24414	1.7
389.25418	2.3
393.21396	0.7
419.16174	0.4
443.11841	0.8
533.29462	2.4
534.30164	0.4
551.23212	8.8
551.30719	33.7
552.23340	1.5
552.31055	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	551.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83544	0.7
59.01374	10.5
61.98828	100.0
63.99265	1.4
71.01387	0.8
72.99321	3.3
73.03004	0.7
78.95917	1.2
82.22647	0.7
96.96023	2.7
106.01396	0.8
123.04545	1.0
138.18498	0.9
152.99512	1.1
168.61302	0.8
217.26024	0.9
229.63947	1.3
276.93427	0.8
312.94272	0.8
323.70602	1.0
441.29367	1.1
515.30103	92.1
516.30469	20.4
551.27625	14.1
552.28235	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	551.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94016	1.7
59.01381	17.1
61.98831	100.0
63.08769	1.8
71.56229	3.2
72.69456	1.8
72.99302	2.3
118.89330	1.9
135.58690	1.9
166.51083	1.9
167.05658	1.9
186.29614	2.1
400.26340	2.5
403.81265	1.9
515.30096	51.8
516.30609	11.2
551.30481	2.6
561.03979	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	551.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57698	1.0
52.05197	0.9
59.01380	13.1
61.98830	100.0
63.99238	1.3
72.99309	1.4
78.95898	2.7
83.01382	0.8
85.02951	0.8
96.96027	1.6
121.02933	1.8
124.20522	0.9
144.04614	1.0
152.99561	2.9
159.64200	0.8
165.01971	1.6
225.11420	0.9
295.13348	1.0
311.25732	2.4
413.27914	1.0
421.84686	1.0
467.27942	3.5
489.10825	1.2
491.33716	1.5
497.28888	1.4
513.28546	1.2
515.30103	42.1
516.30377	10.5
551.27313	21.2
552.27960	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.5
57.03445	3.7
58.00589	2.2
59.01376	96.4
60.01710	2.5
60.99306	1.4
61.98829	100.0
65.00333	1.5
69.03468	1.9
69.93887	7.9
70.16625	1.1
71.01384	75.9
71.05038	1.4
72.99310	4.7
73.02954	18.8
75.00875	3.2
75.14852	1.5
78.93370	1.4
78.95918	2.9
81.03428	1.6
82.88704	1.3
83.01379	9.5
83.05013	3.2
83.94913	1.2
85.02959	22.3
87.00883	8.1
88.98800	5.2
89.02450	60.4
93.03471	11.5
95.01376	6.9
96.95975	1.5
97.02956	4.9
97.06638	2.0
98.19915	1.9
99.00872	5.6
99.04514	1.4
101.02456	59.7
107.01418	2.3
107.04969	1.6
108.02169	4.5
109.02939	6.0
109.06602	2.7
111.00861	2.5
113.02464	31.5
117.03470	2.9
119.03524	18.8
119.05025	6.0
121.03005	7.1
123.04519	6.0
124.01629	2.8
125.02477	13.9
127.04091	1.4
131.03484	7.2
133.02971	2.3
135.04520	5.5
137.02461	19.6
138.02826	1.8
139.04065	1.7
139.11243	2.5
143.03526	9.2
145.02974	13.5
146.03566	1.7
149.02478	2.0
149.04549	2.3
151.00343	8.7
151.03984	3.7
152.01123	4.5
152.99539	2.0
153.01894	4.3
153.05563	1.6
159.03015	3.9
159.04468	2.0
160.01677	1.5
161.02435	4.8
161.04581	30.2
162.04938	1.7
163.04033	5.3
165.01917	3.0
165.05373	1.5
167.03479	3.2
168.00623	1.3
175.03993	4.8
177.01958	2.2
178.99831	1.4
179.03513	3.6
179.05626	47.7
179.07191	2.5
180.05942	2.1
183.10315	2.7
199.07559	2.9
207.10255	3.4
209.11798	3.3
221.06683	12.0
225.11336	4.1
243.03113	1.6
243.06461	4.3
258.01721	2.0
271.02411	5.7
271.05923	6.2
272.03293	2.6
283.13467	1.9
285.03918	2.7
287.05466	1.6
289.07202	2.3
299.01685	1.7
300.02762	4.1
301.03329	2.7
329.19940	3.7
353.23245	10.7
387.13974	1.5
389.25507	1.6
397.13190	1.8
489.10306	5.1
491.24960	81.8
492.25400	12.4
515.31952	1.5
519.19739	1.6
525.84540	1.5
533.15253	1.8
543.21283	1.9
551.15637	5.5
551.24207	14.5
551.32031	12.8
552.25824	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	551.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03435	1.3
58.00595	0.8
59.01377	20.6
59.02856	0.4
60.01709	0.5
61.98830	4.0
69.55822	1.6
69.56245	1.2
71.01382	16.6
72.99315	1.0
73.02947	8.1
75.00883	0.9
81.03458	0.4
83.01408	1.7
85.02962	6.0
86.03739	0.8
87.00880	2.0
87.04518	1.2
88.98801	0.4
89.02453	13.4
93.03438	0.8
95.01371	0.6
95.05038	0.7
97.02953	1.6
99.00906	0.5
101.02448	11.6
107.04999	0.7
107.08737	0.5
108.02200	0.6
109.03000	0.5
109.06602	0.5
111.08141	0.4
113.02470	5.8
115.30244	0.5
116.92883	2.4
117.61066	0.4
119.03528	3.7
119.05050	0.6
121.06587	0.5
123.04530	0.6
125.02480	1.0
125.09725	0.5
131.03551	0.8
134.03787	0.9
137.02412	0.8
143.03479	0.8
145.02943	0.6
151.56398	0.5
153.01924	0.5
153.09059	0.5
161.02531	0.5
161.04562	1.0
163.04076	0.4
163.06172	2.5
163.11310	3.1
171.10291	0.9
177.12880	1.2
179.05643	1.3
181.07190	10.7
181.12349	14.9
182.07558	0.7
182.12695	1.6
193.05150	0.7
195.13924	7.1
196.14232	0.5
198.06892	1.2
201.11343	4.6
207.10289	0.8
223.13434	2.5
225.11327	12.2
226.11646	0.9
227.12830	0.9
235.06145	0.5
239.12807	0.4
249.11308	0.5
267.12347	1.8
291.07523	0.4
313.34097	0.5
325.11472	0.5
343.12469	6.4
344.12622	0.7
361.49124	0.4
371.24475	0.6
389.25439	1.7
507.24347	0.7
533.21936	0.8
551.23389	100.0
551.30621	7.8
552.23737	17.7
552.30743	1.2
563.26428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24020	0.9
55.01876	3.3
57.03443	6.5
58.00589	3.5
59.01377	47.9
60.01693	1.2
61.98834	22.1
69.03452	2.3
69.67030	4.1
69.67457	3.7
71.01386	52.3
71.05022	1.4
72.99309	5.0
73.02950	19.4
75.00879	15.3
81.03412	1.1
83.01408	8.5
83.05016	1.4
83.12268	1.1
85.02960	27.8
87.00882	10.0
87.04540	1.2
88.98816	2.7
89.02459	16.9
89.03968	1.1
93.03462	17.5
95.01398	4.2
95.57516	0.9
96.96009	1.1
97.02963	5.3
97.06591	1.4
99.00890	8.6
99.04512	5.1
99.92608	2.5
101.02454	39.0
103.04002	2.5
108.02177	1.6
109.02962	1.9
109.06610	1.5
111.00873	3.1
113.02474	21.5
115.04057	1.0
116.92070	1.7
116.92868	24.1
117.01868	1.0
117.03483	13.3
119.03512	4.2
119.05034	7.2
121.02986	2.9
123.00921	1.7
123.04538	2.8
125.02482	5.4
127.07607	1.1
129.01947	6.7
131.03465	1.9
132.02202	6.3
133.02936	7.5
134.03766	16.6
135.04553	4.7
137.02466	28.4
139.04030	3.9
139.07631	1.8
140.35463	1.1
141.01967	1.7
143.03494	2.7
145.02971	54.0
146.03343	3.0
147.03036	2.2
147.04526	4.5
149.02393	1.8
149.06065	4.3
150.03146	1.6
151.04012	1.9
152.01044	1.1
153.01949	1.2
153.09233	1.6
155.10808	4.2
159.02975	4.5
160.00449	1.5
160.01686	23.8
161.02475	20.7
161.04546	12.3
161.05901	1.7
162.03232	13.7
163.04033	8.4
163.11363	1.0
165.01955	7.6
165.04059	2.2
168.00565	1.1
169.08684	2.5
175.04007	25.7
176.04784	5.7
177.01924	2.9
177.04039	13.3
177.05547	5.5
178.02763	2.3
179.03477	3.6
179.05649	2.0
180.04327	4.7
181.07176	2.2
181.12399	7.9
183.10294	1.7
185.11812	1.1
191.05614	1.3
191.07166	7.6
192.04329	2.1
193.05095	20.0
194.05449	1.9
195.05046	2.0
195.06627	4.3
199.09865	1.6
201.11342	1.0
205.05011	1.4
205.08589	1.4
207.06615	3.5
211.06065	1.3
220.03661	1.4
225.07745	1.4
225.11336	7.7
226.11592	1.0
227.12930	14.5
235.06113	22.5
236.06427	2.0
265.07074	6.9
295.08231	12.4
307.08197	10.0
308.08560	1.4
329.16043	17.2
330.16193	2.0
344.12668	1.2
355.10312	3.3
359.14890	3.8
371.24734	1.4
373.18570	1.1
389.12244	1.4
389.25443	2.2
403.10324	5.5
403.16000	8.1
404.16260	1.2
491.21329	100.0
492.21649	13.4
503.15448	17.2
504.15994	3.0
507.11035	1.9
533.16583	18.4
533.28979	1.4
534.17035	2.5
551.18341	17.2
551.23071	13.6
551.30640	18.2
552.17181	5.6
552.23926	1.4
552.30975	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	551.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03435	1.3
58.00595	0.8
59.01377	20.6
59.02856	0.4
60.01709	0.5
61.98830	4.0
69.55822	1.6
69.56245	1.2
71.01382	16.6
72.99315	1.0
73.02947	8.1
75.00883	0.9
81.03458	0.4
83.01408	1.7
85.02962	6.0
86.03739	0.8
87.00880	2.0
87.04518	1.2
88.98801	0.4
89.02453	13.4
93.03438	0.8
95.01371	0.6
95.05038	0.7
97.02953	1.6
99.00906	0.5
101.02448	11.6
107.04999	0.7
107.08737	0.5
108.02200	0.6
109.03000	0.5
109.06602	0.5
111.08141	0.4
113.02470	5.8
115.30244	0.5
116.92883	2.4
117.61066	0.4
119.03528	3.7
119.05050	0.6
121.06587	0.5
123.04530	0.6
125.02480	1.0
125.09725	0.5
131.03551	0.8
134.03787	0.9
137.02412	0.8
143.03479	0.8
145.02943	0.6
151.56398	0.5
153.01924	0.5
153.09059	0.5
161.02531	0.5
161.04562	1.0
163.04076	0.4
163.06172	2.5
163.11310	3.1
171.10291	0.9
177.12880	1.2
179.05643	1.3
181.07190	10.7
181.12349	14.9
182.07558	0.7
182.12695	1.6
193.05150	0.7
195.13924	7.1
196.14232	0.5
198.06892	1.2
201.11343	4.6
207.10289	0.8
223.13434	2.5
225.11327	12.2
226.11646	0.9
227.12830	0.9
235.06145	0.5
239.12807	0.4
249.11308	0.5
267.12347	1.8
291.07523	0.4
313.34097	0.5
325.11472	0.5
343.12469	6.4
344.12622	0.7
361.49124	0.4
371.24475	0.6
389.25439	1.7
507.24347	0.7
533.21936	0.8
551.23389	100.0
551.30621	7.8
552.23737	17.7
552.30743	1.2
563.26428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.2
57.03445	3.4
58.00588	4.5
59.01377	100.0
60.01699	1.3
61.98827	28.6
69.03455	5.2
69.54105	0.7
69.54425	7.0
71.01382	82.1
71.44479	0.8
72.01734	1.7
72.99309	6.9
73.02945	12.5
75.00879	3.5
78.95898	1.8
81.03463	4.4
83.01393	7.0
85.02953	17.1
87.00882	8.7
87.04550	0.9
88.98814	3.6
89.02448	93.8
90.02789	1.9
93.03481	3.1
95.01419	5.7
96.96017	2.4
96.97012	1.1
97.02953	7.6
99.00896	3.1
99.04524	1.9
101.02451	62.9
102.02798	1.3
108.02193	2.2
109.02972	2.8
111.00908	2.2
111.04500	0.9
113.02459	33.6
114.02834	1.5
117.03510	1.1
119.03519	43.3
119.05038	4.4
120.03860	0.9
121.02926	2.1
123.00912	3.2
123.04532	1.7
124.01670	8.2
125.02464	51.0
126.02783	1.5
131.03526	9.4
133.01485	1.9
133.02930	0.9
134.03732	1.7
135.04527	1.3
137.02440	7.2
139.04039	3.3
141.01982	1.1
143.03516	13.2
145.02988	3.1
149.04604	5.0
149.05757	0.8
149.99614	12.5
151.00362	3.1
152.01089	1.4
153.01915	2.7
159.02957	1.3
160.01659	2.4
161.02486	2.3
161.04581	19.8
161.18529	0.9
162.04840	0.8
163.04031	3.9
165.16830	0.9
166.99828	1.2
167.03479	1.9
167.10788	47.7
168.00655	17.9
168.11127	4.1
169.01360	2.0
173.04660	1.3
175.04047	2.7
179.05620	50.4
180.05949	1.7
191.10689	1.0
203.05522	1.1
209.11938	1.1
221.06671	26.5
245.06641	2.5
255.02979	2.0
263.07684	8.6
271.02484	2.1
285.03955	1.5
288.92062	0.9
300.02686	3.8
301.03430	2.2
305.08847	1.5
323.09833	73.8
324.10193	4.7
327.21463	1.6
341.10602	1.2
419.27539	1.1
489.10297	5.6
507.27820	1.2
551.13928	26.8
551.23560	9.3
551.32642	5.5
552.14325	4.7
552.21387	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	551.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68427	0.5
53.14734	0.6
55.01864	1.0
57.03441	1.5
58.00585	1.1
59.01376	16.7
61.98817	2.3
63.15708	0.6
69.03426	0.4
69.33221	3.4
69.33646	2.1
71.01380	12.2
73.02943	12.2
74.03294	0.5
75.00867	1.6
83.01395	1.4
85.02945	5.5
87.00879	1.5
87.04518	1.6
88.94361	0.5
89.02442	8.0
93.03465	0.7
97.02949	1.5
99.00878	2.2
99.92593	8.9
101.02444	10.5
111.08134	0.5
113.02467	4.5
114.93373	0.6
115.04020	0.6
116.92867	100.0
117.01945	14.5
117.92878	7.3
119.03503	2.4
125.02439	0.7
125.09699	0.6
137.02466	1.5
143.98625	0.6
155.10844	1.4
161.04639	1.0
163.06126	2.8
163.11296	1.0
165.12900	0.6
181.07199	7.4
181.12341	16.5
182.07693	0.7
195.13890	7.0
201.11305	6.1
205.07089	0.6
223.13397	1.2
225.11324	7.6
226.11652	0.7
257.03662	0.8
267.12341	1.4
271.06006	0.7
286.04007	0.7
291.30536	0.6
325.11282	1.5
343.12579	1.1
344.12781	0.8
345.12881	1.2
371.24585	0.7
374.01776	0.6
389.25375	2.7
401.83923	0.7
419.19080	0.7
507.23270	0.8
533.22180	0.9
551.23340	76.8
551.30731	8.6
552.23651	13.3
552.31036	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	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.42617	0.4
57.03440	1.4
58.00618	0.4
58.54669	0.4
59.01382	12.0
61.98831	13.9
69.03455	4.5
70.08554	0.4
70.40440	1.0
71.01385	5.3
72.99303	0.7
73.02953	4.8
75.00883	1.0
78.91907	0.7
81.03474	1.6
83.01397	6.7
85.02967	1.9
87.00900	1.0
87.04529	1.4
88.98824	0.6
89.02441	2.4
93.03477	3.1
95.01386	3.4
95.05038	0.5
97.02946	4.2
99.00881	0.7
101.02455	5.3
107.01395	2.0
107.05069	0.5
108.02170	1.1
109.02983	2.2
109.06614	0.4
111.00883	0.6
113.02462	1.6
116.92831	0.7
117.03482	1.3
119.05043	100.0
120.05392	4.2
121.02973	1.6
121.66848	0.5
123.00904	10.2
123.04530	1.7
123.08205	0.5
124.01683	25.4
125.02467	50.8
126.02788	2.1
132.02220	1.1
133.02959	1.1
134.03784	3.3
135.00955	0.5
135.04568	1.2
136.01694	0.6
137.02469	7.4
139.07594	0.9
139.11305	5.1
145.02986	2.0
146.79498	0.4
149.02412	1.0
149.99609	37.3
151.00400	4.4
151.04031	1.5
151.11288	0.8
153.01944	2.0
160.01662	4.4
161.02422	1.7
161.04541	0.6
163.04025	58.6
163.11241	0.5
164.04366	4.0
165.01918	0.7
165.09288	0.5
166.99889	1.9
167.03482	1.1
167.10803	1.0
168.00659	59.4
169.01379	5.6
169.12395	1.5
173.04565	0.8
175.04015	4.3
177.04082	0.5
177.09300	0.5
179.05618	1.0
179.10756	1.6
181.01424	0.5
181.12360	2.5
181.13686	0.5
183.10284	7.5
184.10498	0.6
189.01915	0.4
193.01450	0.4
193.05110	1.2
197.11890	1.0
199.13422	0.5
215.03499	0.5
225.11324	8.1
226.11726	0.6
227.07060	0.4
231.10318	0.6
235.06175	0.6
237.07697	2.2
243.12366	6.8
243.14615	0.7
249.11377	0.9
255.03018	1.2
255.15828	0.8
267.12375	1.4
268.03690	1.2
269.04535	7.8
270.04968	0.7
271.02478	1.1
283.11072	0.6
285.04132	1.1
285.13458	1.0
291.12482	2.0
300.02795	2.5
301.03482	0.6
309.13321	0.8
313.05533	1.1
327.14435	2.6
329.23303	1.1
347.85376	0.4
375.16553	3.0
376.16666	0.6
387.16562	7.5
388.17133	0.8
389.25351	0.7
433.24963	0.5
489.10327	2.8
491.29205	0.6
507.22153	1.0
533.12866	1.4
533.20380	1.4
551.13892	87.5
551.21564	30.3
551.31287	4.1
552.14233	17.3
552.21887	6.9
552.31018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03437	1.3
58.00602	1.3
59.01379	22.4
60.01703	0.4
61.98835	3.5
68.99844	0.3
69.03475	0.6
69.44654	1.1
69.45084	1.4
71.01385	16.9
71.05001	0.3
72.01721	0.5
72.99304	1.1
73.02953	6.6
75.00879	0.9
81.03495	0.4
83.01394	1.4
84.02177	0.3
85.02957	7.6
86.03745	0.8
87.00884	1.9
87.04511	1.1
88.98817	1.1
89.02452	9.0
89.02999	0.7
93.03471	0.6
95.01385	0.9
95.05014	0.5
97.02960	1.5
99.00908	1.1
99.04526	0.6
101.02457	13.3
102.02760	0.4
103.04032	0.3
109.06606	0.5
111.00866	0.4
111.64725	0.3
113.02458	5.9
115.04011	0.5
116.92876	1.8
117.03523	0.3
118.95690	0.4
119.03520	3.5
119.04982	0.3
125.02451	0.8
131.03506	0.8
133.02982	0.6
136.01651	0.5
137.02493	0.8
137.06087	0.3
137.09683	0.6
143.03511	0.7
143.53448	0.3
145.02945	0.6
145.05101	0.4
149.02502	0.3
149.04530	0.4
150.03178	0.4
151.03983	0.8
152.04366	0.4
153.09320	0.3
155.10765	1.1
160.01683	0.9
161.02495	1.7
161.04584	0.8
161.09778	0.3
163.04059	0.5
163.06137	3.8
163.11334	2.5
165.12776	0.3
166.09871	0.3
168.03082	0.9
171.10300	0.5
175.04005	0.8
177.04086	0.4
177.12874	1.5
181.05013	0.2
181.05385	0.3
181.07201	9.2
181.12352	21.4
182.12634	1.5
183.10263	0.3
195.13914	10.2
196.14238	0.5
199.07678	0.6
201.11325	3.4
205.07193	0.8
205.12277	0.4
207.10228	0.6
209.04263	0.3
223.13383	2.5
225.11322	10.8
225.13544	0.6
226.11656	0.8
227.03506	0.9
228.03787	0.9
229.03996	0.5
239.12964	0.8
247.08229	0.6
255.02943	1.8
256.03384	1.2
257.03552	1.7
267.12350	1.2
284.03192	2.2
285.03680	2.2
286.03860	2.4
325.11252	1.8
326.11569	0.3
337.08969	0.4
341.10257	1.7
343.12381	1.2
345.12997	0.4
356.12485	0.6
371.14987	2.4
371.24426	0.3
381.12152	0.3
388.14819	0.5
389.15179	0.8
389.25598	1.8
419.19363	0.4
449.43924	0.3
489.13870	0.3
503.15479	0.7
521.29614	0.5
533.22131	0.7
551.13727	4.5
551.23370	100.0
551.30695	8.6
552.23749	16.5
552.31042	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.2
58.00578	0.2
59.01373	3.6
61.98831	5.6
65.00322	0.9
65.03962	3.9
67.01885	1.5
69.28658	1.4
69.29067	0.3
71.01383	10.1
72.01689	0.2
72.99326	0.4
73.02951	0.9
75.00877	0.5
77.88264	0.2
83.01387	0.5
85.02955	1.9
87.00880	0.5
87.04556	0.1
88.98814	0.6
89.02464	1.1
91.01902	41.8
92.02232	1.4
93.03482	0.5
93.95072	0.1
95.01398	0.5
97.02952	0.3
98.20663	0.4
99.00922	0.4
101.02465	1.6
103.04016	0.2
107.01418	0.3
107.05042	0.4
108.02193	0.7
109.02963	62.3
110.03301	2.4
113.02439	1.1
119.03542	0.4
119.05048	0.4
121.02968	1.2
123.04549	0.2
125.02463	0.3
125.09731	0.2
127.04055	0.4
131.05031	0.3
133.02994	0.7
135.00900	100.0
136.01224	4.3
137.02458	15.1
137.06100	0.2
138.02785	0.7
143.03513	0.3
143.05052	0.3
145.03036	0.4
146.03780	0.2
147.04535	0.9
148.01709	1.8
149.02425	0.8
149.06093	0.2
151.04031	0.6
153.01953	61.1
154.02298	2.5
155.10887	0.3
157.08699	0.3
157.12997	0.1
159.04517	0.7
161.02490	1.1
161.04578	0.9
161.06087	0.7
163.04019	1.1
163.06133	0.2
167.03564	0.4
171.10260	0.2
175.04068	1.2
176.01152	0.3
177.01988	1.1
177.05565	0.3
179.03461	0.4
181.07205	0.2
181.12334	0.2
187.03990	1.9
187.09796	0.2
189.05579	0.2
197.06058	0.4
201.11302	2.6
205.05106	1.4
205.06876	0.2
217.05118	0.2
219.48415	0.2
225.05591	0.6
225.11342	0.3
231.02965	0.3
231.12280	0.2
233.06558	0.3
235.06126	0.4
237.04054	0.3
243.06628	1.6
244.06871	0.2
253.07039	0.2
263.05597	0.2
278.78394	0.2
297.06158	4.2
298.06372	0.4
315.07193	9.6
316.07581	0.9
343.12561	0.2
369.08170	1.4
371.24518	0.4
387.10858	0.3
389.25333	0.7
399.13312	0.2
400.62448	0.2
412.82083	0.2
433.20627	0.2
443.11926	84.3
444.12274	11.4
551.23328	1.5
551.30731	5.1
552.31018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10281	0.3
55.01873	0.4
57.03446	0.3
58.00593	1.7
59.01377	32.1
60.01711	0.4
60.99297	0.5
61.98830	4.4
62.79823	0.2
65.00313	0.7
67.01897	0.7
68.42101	0.3
68.99812	0.4
69.03450	3.1
71.00988	0.5
71.01381	7.9
72.99299	1.9
73.02940	3.3
78.79594	0.3
79.01894	0.7
80.02669	0.9
81.03458	4.1
83.01383	0.5
85.02960	5.2
87.00882	0.5
88.98817	3.9
89.02449	8.2
91.01900	20.3
92.02241	0.5
93.03462	1.7
95.01395	1.7
97.02964	2.9
98.19875	0.5
98.20564	1.2
101.02460	6.9
103.04017	4.7
103.93507	0.3
107.01395	3.9
107.05055	0.6
108.02186	25.4
109.02995	6.2
113.02453	0.5
119.03506	2.5
119.05037	0.6
121.02979	1.7
123.00893	9.0
124.01748	1.3
125.02489	2.2
127.04005	1.2
133.02980	1.4
135.00896	21.9
136.01350	0.8
137.02454	7.0
145.02974	1.1
145.05063	0.7
149.02448	3.6
151.00397	3.9
151.04037	0.4
152.01170	25.1
153.01712	1.2
161.02440	0.4
161.04602	0.4
163.04008	0.7
163.06198	1.5
169.06627	0.3
173.02435	0.3
174.96867	0.3
177.01926	3.0
191.03517	1.1
197.06055	2.3
199.07623	0.9
213.05563	2.1
215.07137	1.2
225.05540	0.3
233.04588	0.3
242.05838	6.6
243.06598	100.0
244.06931	8.7
251.05510	0.4
276.03992	0.3
279.05008	0.7
279.83658	0.3
285.07693	0.6
296.26791	0.3
309.95920	0.3
356.74918	0.3
387.10846	5.4
388.11264	0.6
391.20874	0.4
405.11874	4.7
406.12177	0.5
443.11868	1.1
529.88684	0.3
551.17621	85.9
552.17950	15.8
552.26538	0.7
577.40491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1763
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
51.02383	0.2
55.01867	0.8
57.03452	0.9
58.00583	0.6
59.01377	11.9
60.99294	0.5
61.98833	1.5
67.01894	0.3
68.34837	0.2
68.99828	0.3
69.03455	36.8
70.03795	1.0
71.01384	13.7
72.01716	0.2
72.99292	1.1
73.02950	4.8
75.00894	0.3
79.01888	7.5
81.03461	1.9
83.01389	1.4
85.02956	8.3
86.00096	0.6
87.00887	3.5
87.04530	1.3
88.98815	2.8
89.02451	5.6
91.05524	0.2
93.03468	0.8
95.01395	5.1
97.02959	20.2
98.03281	0.4
98.20000	0.6
99.00919	1.0
99.04531	0.4
101.02452	8.5
102.02770	0.2
103.04013	2.4
107.01397	26.2
107.05000	0.3
108.02191	29.6
109.03027	4.0
110.03308	0.2
113.02457	9.1
115.04020	2.1
117.03472	0.4
119.03539	0.9
119.05000	0.4
121.02961	3.1
123.00894	7.2
123.04489	0.2
124.01224	0.3
125.02457	39.9
126.02779	1.6
127.04044	0.4
131.03516	3.1
133.02971	0.6
134.03758	0.5
134.64687	0.2
135.00896	39.9
135.04443	0.9
136.01180	1.6
137.02454	4.1
143.03508	6.8
144.03856	0.2
145.02968	1.6
145.05086	1.1
147.04544	0.3
149.02419	1.3
150.03238	0.2
151.00383	28.6
151.03963	0.5
152.01164	76.7
153.01718	3.6
159.02991	0.6
161.02518	1.4
161.04568	5.9
162.03212	0.6
162.04843	0.2
163.04015	2.7
163.06108	1.2
164.04382	0.2
165.02011	0.2
167.03476	0.3
169.06606	0.3
173.02348	0.2
175.03998	0.5
177.01950	2.2
179.03517	0.2
179.05592	0.3
187.04070	0.2
189.01912	0.5
191.03427	0.4
194.02225	0.2
195.02956	0.4
197.06088	4.6
198.06677	0.7
205.01456	0.2
205.07178	8.2
206.02142	0.2
206.07469	0.3
207.02959	1.1
213.05542	1.0
215.07141	0.5
219.02979	0.6
225.05537	0.3
231.02908	0.2
235.06090	0.3
242.05832	24.0
243.06589	100.0
244.06950	8.7
244.09004	0.1
267.06552	0.3
271.05927	0.2
274.36722	0.2
279.05087	0.7
280.05777	0.2
285.07642	2.1
286.08081	0.2
297.07965	3.0
298.08032	0.4
307.10477	0.9
315.07095	1.0
327.08698	0.6
387.10815	6.2
388.11084	0.9
405.11880	8.5
406.12253	0.9
431.13257	0.4
443.11923	22.7
444.12247	2.8
489.10367	0.3
551.17596	33.7
552.17865	6.5
552.26563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73834	0.4
55.01868	0.5
57.03444	0.8
57.41115	0.4
59.01385	7.1
61.98833	9.6
69.03466	5.1
71.01385	3.0
73.02959	2.7
74.22038	0.4
78.95934	0.6
81.03457	1.1
83.01400	5.3
85.02968	1.2
87.00892	0.9
87.04520	0.7
88.98805	0.9
89.02469	1.0
93.03479	1.9
94.16094	0.4
95.01391	3.5
97.02963	4.6
101.02470	2.3
107.01407	1.8
107.05063	0.4
108.02203	1.2
109.02970	1.9
113.02472	1.3
117.03465	0.5
119.05045	48.9
120.05406	2.9
121.02975	1.0
123.00898	9.7
123.04530	1.2
124.01685	26.4
125.02469	53.3
126.02792	1.6
134.03784	0.8
135.00870	0.5
135.04494	0.5
137.02460	4.7
139.04013	0.9
139.11299	2.4
141.68025	0.4
144.11224	0.5
145.03014	1.0
145.85646	0.4
149.02399	0.6
149.99605	40.6
151.00375	4.4
151.07620	0.5
153.01939	1.5
158.45357	0.5
160.01678	1.6
161.02443	1.3
163.04025	33.6
164.04407	1.7
165.01962	1.0
166.99901	1.9
167.03505	1.1
168.00661	61.3
169.01352	5.5
169.12350	1.2
173.04596	1.2
175.04010	1.4
177.04066	0.4
179.03546	0.5
179.10767	0.7
181.01411	0.7
181.12366	0.8
183.10283	3.8
187.04071	0.5
190.02623	0.4
193.05031	0.9
197.11809	0.9
197.55370	0.4
199.13454	0.4
225.11331	4.2
227.07195	0.7
237.07732	1.5
243.12398	3.4
244.12671	0.6
255.02896	1.0
267.12378	0.8
269.04568	1.9
271.02554	0.8
271.06226	0.6
285.04077	0.7
291.12350	0.9
300.02676	0.9
313.05652	1.2
327.14658	1.3
329.23505	0.8
375.16748	0.8
387.16711	3.6
489.10306	2.0
504.69971	0.5
518.70789	0.5
533.12915	1.4
533.20319	0.6
551.13983	100.0
551.21527	16.0
552.14307	17.5
552.21857	2.7
552.29834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03442	1.9
58.00586	0.7
59.01379	14.7
61.98827	6.0
68.99815	0.7
69.03452	2.3
69.32034	7.2
71.01385	14.1
72.99308	0.7
73.02950	5.1
75.00875	8.3
83.01387	2.2
83.05002	0.8
84.02127	0.8
85.02956	7.4
87.00892	4.8
87.04543	0.6
87.15675	0.7
89.02444	6.8
92.02718	0.6
93.03466	67.8
94.03805	2.2
95.01424	1.1
96.96029	1.3
96.96938	0.8
96.99300	0.8
97.02937	1.4
98.20639	1.3
99.00912	1.8
99.04532	0.6
101.02451	8.6
103.03984	0.8
108.02273	0.7
109.02976	0.8
111.00879	1.7
113.02461	4.5
115.00381	1.5
115.95227	0.6
116.92891	3.0
117.03471	2.6
119.03515	1.1
119.05057	1.9
121.02969	2.3
123.04530	1.1
125.02448	1.5
129.01999	4.1
131.03491	1.7
132.02211	1.7
133.02965	1.4
134.03757	6.6
135.04544	2.1
136.01768	1.8
137.02460	100.0
138.02786	3.4
139.00392	2.9
139.04005	0.8
139.11349	0.7
141.01991	1.0
145.02969	11.2
146.03668	1.2
147.02989	0.9
147.04555	3.1
148.99225	2.0
149.02448	1.0
149.04514	1.4
151.00397	2.5
151.04013	2.3
153.01942	0.7
155.10791	2.2
159.03004	1.5
160.01683	10.1
161.02495	5.0
161.04549	1.5
161.05981	0.7
162.03249	4.9
163.04068	3.1
163.11256	1.5
165.01950	2.1
165.04050	1.1
165.05486	1.2
175.04010	12.2
175.81274	0.6
176.04736	2.4
177.01816	1.1
177.04053	10.4
177.05586	3.1
178.02733	0.7
178.04350	1.0
179.03453	1.3
180.04300	2.2
181.07143	0.8
181.12355	5.6
182.99367	0.8
183.10255	1.1
189.05574	1.8
190.06429	4.0
191.03592	1.0
191.05605	0.9
191.07152	4.8
193.05078	11.1
194.05711	1.9
195.05099	4.8
195.06665	1.4
199.09816	1.0
200.39246	0.7
201.11368	1.8
205.05199	0.6
205.08701	3.2
207.06628	1.7
207.10289	0.9
208.07335	3.3
224.49690	0.8
225.11339	5.7
226.11711	0.7
235.06105	9.6
249.06216	0.7
265.07220	2.5
273.03076	0.8
281.06693	26.4
282.07056	2.4
283.10825	2.0
287.05688	2.1
288.05911	0.9
295.08383	3.3
300.02914	1.5
302.03391	1.4
307.08255	1.7
325.10693	0.8
327.09775	1.4
344.12704	1.4
355.10330	1.5
359.15018	20.9
360.15298	2.3
385.14975	1.3
403.10956	0.7
403.16055	12.9
404.16449	1.3
419.09814	61.5
420.10165	7.0
491.19293	1.0
503.15622	2.3
505.26300	1.2
507.10715	1.7
519.12677	1.6
533.16754	7.5
534.17450	1.1
551.14008	16.3
551.20367	13.4
551.30902	11.6
552.14539	4.5
552.21130	2.5
552.31140	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	550.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.4
61.98829	100.0
62.98520	0.3
69.42294	0.3
69.42718	0.7
221.40300	0.1
247.14706	0.1
306.09686	0.1
341.97955	0.1
444.47366	0.1
487.34320	0.2
551.19232	0.4
576.69556	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	550.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67799	0.3
52.19894	0.3
56.38972	0.3
59.01373	1.6
61.98830	100.0
63.03615	0.3
71.01379	0.4
71.65204	0.5
78.95939	0.4
93.34879	0.3
113.23199	0.4
216.28561	0.4
232.66602	0.3
457.29196	0.5
487.34616	0.4
515.29944	1.9
550.32410	1.3
551.27100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
56.78886	0.2
57.03441	0.7
58.00589	0.5
58.77334	0.2
59.01377	9.7
60.01704	0.6
61.98836	2.9
69.03440	0.2
71.01385	8.5
71.56858	0.3
72.01713	0.7
72.99306	0.7
73.02950	9.0
74.03309	0.4
75.00872	1.9
81.03466	0.2
83.01398	0.8
85.02959	2.9
86.03281	0.4
87.00886	1.4
87.04533	0.6
88.98826	0.3
89.02451	5.2
90.02770	0.8
93.03467	1.0
95.01401	0.5
97.02963	0.5
97.06636	0.3
98.19675	0.2
99.00892	2.2
99.92592	8.9
100.92613	0.6
100.93360	0.2
101.02455	6.2
102.02782	0.9
109.03032	0.2
110.52464	0.2
111.00893	0.2
111.04549	0.3
113.02458	2.8
113.06110	0.2
114.02798	0.4
114.93430	0.2
115.04099	0.2
116.92874	100.0
117.01952	13.3
117.03363	0.3
117.92889	5.9
118.02355	0.3
119.03522	1.8
119.05060	0.5
121.02958	0.4
121.10220	0.2
123.04537	0.2
123.08224	0.2
125.02465	0.5
125.09752	0.6
129.02005	0.2
131.03511	0.5
134.03786	0.5
135.04608	0.2
135.11868	0.3
137.02461	2.4
137.09761	0.4
143.03516	0.5
145.02985	0.7
145.05035	0.2
151.00378	0.2
153.01987	0.3
153.09264	0.2
155.10789	0.9
159.08122	0.3
161.02469	0.4
161.04597	0.8
161.09709	0.9
162.10077	0.5
163.04005	0.5
163.06111	1.4
163.11322	0.5
164.06367	0.2
165.02031	0.3
171.10275	0.5
175.03961	0.3
177.04068	0.9
179.03508	0.2
179.05620	0.5
179.10774	1.3
180.11090	0.8
181.05719	0.3
181.07208	3.4
181.12376	3.8
182.07509	0.8
183.07651	0.3
183.10312	0.3
191.07216	0.2
193.05112	0.3
193.12367	0.5
194.12660	0.2
195.05147	0.2
195.13884	1.3
199.09770	0.3
201.11328	3.8
203.10843	0.4
204.11153	0.5
205.07031	0.2
206.07579	0.2
207.10207	0.2
221.11699	0.3
222.12169	0.2
223.13385	0.3
225.11328	1.8
226.11610	0.2
235.06224	0.2
245.13945	0.3
255.03001	0.2
256.03384	0.3
267.12338	0.5
268.12845	0.2
271.06204	0.6
272.06537	0.4
284.03351	0.3
285.03693	0.4
286.03735	0.4
325.11423	1.8
326.11832	1.3
327.11823	0.5
334.12665	0.4
343.12433	3.9
344.12796	3.6
345.12949	1.5
371.24524	0.6
389.25479	3.0
419.19006	0.5
479.13690	0.3
506.23114	0.7
507.23752	0.3
550.13824	0.4
550.22192	5.1
550.29645	1.4
551.23236	18.5
551.30835	9.1
552.23853	1.5
575.21844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.3
61.98829	100.0
70.92414	0.7
70.92794	0.4
76.08722	0.2
78.95932	0.2
93.15247	0.2
116.77668	0.2
141.95201	0.3
186.98692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18204	0.2
59.01373	1.4
61.98827	100.0
69.29286	0.9
69.29716	1.2
78.95880	0.2
80.97436	0.2
111.11591	0.2
116.02198	0.2
143.23668	0.2
276.81601	0.2
338.98846	0.2
353.57339	0.2
468.51410	0.2
508.30994	0.2
551.30762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01377	18.1
59.23972	0.2
60.01691	0.3
61.98828	100.0
65.00330	0.6
66.68106	0.2
69.42959	2.0
71.01393	0.8
78.95903	0.4
83.01398	0.6
83.05025	0.3
83.64716	0.2
85.02962	0.3
87.94064	0.2
89.02447	0.4
91.87720	0.2
96.96027	0.2
101.02464	0.5
107.01399	0.7
109.02965	0.2
109.06597	0.2
113.02478	0.5
113.71021	0.2
117.24466	0.2
119.03471	0.2
123.04539	0.4
125.02465	3.3
135.90933	0.2
151.00383	1.9
152.99677	0.3
153.02042	0.2
167.03540	0.7
199.04167	0.2
205.12476	0.5
223.13406	2.0
224.13867	0.3
227.03496	0.3
232.41617	0.2
248.08720	1.7
248.58911	0.5
268.65353	0.2
283.13345	0.9
301.14502	0.2
309.15009	0.3
327.16028	0.3
366.13220	1.6
366.63269	0.4
371.14993	0.4
403.10782	0.3
446.14157	0.3
469.19699	1.2
469.70078	0.8
470.19736	0.3
479.17737	0.2
515.30469	0.2
550.33258	0.3
551.32458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46447	0.2
57.03446	0.3
59.01379	4.9
60.01714	0.6
61.01805	0.5
61.98832	100.0
66.36568	0.2
71.64935	0.3
73.02943	0.2
78.95924	0.3
80.08057	0.2
87.04547	0.3
93.42880	0.2
96.96048	0.5
125.27773	0.3
129.83357	0.2
218.78503	0.3
290.92953	0.2
303.76614	0.2
441.29950	0.7
458.55646	0.3
467.27881	0.3
472.34296	0.7
487.34311	1.1
488.34619	1.1
489.34631	1.6
490.35214	6.5
491.35687	0.3
513.28601	1.0
514.28668	1.4
515.29706	0.4
547.46167	0.3
550.37262	19.3
551.30072	0.6
551.31860	0.4
551.37592	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	550.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.34473	3.7
81.26733	0.4
96.19315	0.4
103.54942	0.3
152.16859	0.4
159.38428	0.3
159.39920	0.4
197.82361	0.4
199.36258	0.4
202.53644	0.4
296.05466	0.4
379.04410	0.4
418.10992	0.4
476.37604	0.5
480.41324	0.4
482.14276	0.4
540.29749	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03289	0.1
57.03440	0.1
59.01373	0.8
61.98825	100.0
62.98540	0.2
70.76031	0.2
71.01394	0.6
71.72844	0.1
72.99310	0.2
73.02930	0.2
75.00863	0.1
76.01247	0.1
78.95930	0.1
85.02975	0.7
86.03313	0.1
87.00913	0.2
88.98799	0.3
89.01978	0.1
89.02415	0.5
93.03451	0.3
93.48863	0.1
96.96035	0.3
96.96986	0.2
99.00887	0.1
99.92605	0.5
101.02446	0.2
113.02465	0.2
115.00407	0.1
116.92864	6.5
117.01949	0.2
117.03462	0.1
119.03527	0.2
119.05054	0.4
120.05386	0.2
121.02936	0.1
125.02461	0.1
137.02454	0.8
145.02989	0.8
153.33362	0.1
163.04010	0.6
163.07660	0.5
164.04321	0.2
164.07982	0.1
165.05574	0.3
177.01973	0.1
178.02707	0.3
191.05620	0.3
193.05086	0.8
195.06641	0.1
202.08885	0.1
207.06627	0.4
208.06999	0.3
239.05789	0.1
325.09296	0.3
327.10550	0.1
328.10507	0.1
341.10583	0.1
388.13345	0.2
411.63638	0.1
463.14297	0.2
487.14499	0.3
538.71307	0.2
550.17963	0.4
551.19122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98830	100.0
69.77589	1.3
71.01388	1.7
73.02962	0.3
75.00861	0.4
80.64523	0.2
85.02970	0.7
86.21787	0.2
86.91913	0.2
87.00877	0.3
88.98813	0.3
89.02453	2.0
93.03464	0.3
96.96012	0.3
98.20584	0.2
101.02450	1.2
109.03014	0.2
113.02457	0.8
116.92894	0.4
117.03476	3.8
119.03524	0.6
119.05032	1.4
125.02454	0.3
134.03734	0.6
134.67564	0.2
137.02466	0.4
143.03510	0.2
145.02971	27.8
146.03313	1.7
149.02477	0.4
149.06065	0.2
150.03185	0.3
161.04514	0.3
161.05928	0.2
163.04007	2.1
164.04706	0.3
165.05519	0.6
173.06149	0.2
177.90466	0.2
178.02672	0.2
179.05620	0.6
182.86180	0.3
191.05618	0.5
193.05042	1.1
195.06631	0.4
206.05264	0.2
224.06378	0.2
236.71745	0.2
237.76166	0.2
293.08936	0.3
307.08078	0.6
341.10599	0.6
389.11938	0.3
464.65363	0.2
487.14554	21.3
488.08154	0.3
488.14929	3.5
550.17328	1.1
551.18573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98830	100.0
69.77589	1.3
71.01388	1.7
73.02962	0.3
75.00861	0.4
80.64523	0.2
85.02970	0.7
86.21787	0.2
86.91913	0.2
87.00877	0.3
88.98813	0.3
89.02453	2.0
93.03464	0.3
96.96012	0.3
98.20584	0.2
101.02450	1.2
109.03014	0.2
113.02457	0.8
116.92894	0.4
117.03476	3.8
119.03524	0.6
119.05032	1.4
125.02454	0.3
134.03734	0.6
134.67564	0.2
137.02466	0.4
143.03510	0.2
145.02971	27.8
146.03313	1.7
149.02477	0.4
149.06065	0.2
150.03185	0.3
161.04514	0.3
161.05928	0.2
163.04007	2.1
164.04706	0.3
165.05519	0.6
173.06149	0.2
177.90466	0.2
178.02672	0.2
179.05620	0.6
182.86180	0.3
191.05618	0.5
193.05042	1.1
195.06631	0.4
206.05264	0.2
224.06378	0.2
236.71745	0.2
237.76166	0.2
293.08936	0.3
307.08078	0.6
341.10599	0.6
389.11938	0.3
464.65363	0.2
487.14554	21.3
488.08154	0.3
488.14929	3.5
550.17328	1.1
551.18573	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53023	1.0
55.01865	3.8
55.82035	1.0
57.03440	4.7
58.00562	1.2
59.01377	100.0
60.01720	1.2
61.98827	65.8
70.25901	1.2
71.01384	47.6
71.18637	2.3
72.99310	3.7
73.02945	14.8
75.00870	1.2
78.95930	1.2
81.03434	1.3
83.01393	8.0
83.05039	1.1
84.98029	1.1
85.02955	22.1
87.00878	2.6
89.02449	15.9
93.03453	1.2
95.01388	3.9
97.02930	1.8
99.00887	7.3
101.02454	40.2
111.00868	2.6
113.02454	15.5
119.03494	2.7
121.02966	1.3
125.02483	3.0
129.02031	1.5
131.03528	32.3
132.03842	1.4
137.02446	1.6
137.09654	1.1
137.35814	1.1
143.03481	2.0
149.04535	3.6
159.03008	2.8
161.04565	13.1
178.85051	1.0
186.02731	1.2
191.05557	1.2
222.96764	1.0
233.06577	1.6
271.17291	1.1
357.22821	71.6
358.23093	10.5
383.25894	1.3
445.25980	1.3
489.27005	69.3
489.32758	2.4
490.27328	12.1
492.03043	1.2
502.32614	5.1
503.32791	4.9
549.30469	10.7
550.30591	3.0
565.35663	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
57.05281	0.8
58.00596	0.9
59.01378	18.2
60.79612	0.8
61.98830	100.0
65.00303	1.0
69.03443	1.0
70.31512	3.1
71.01382	17.9
71.04996	0.9
72.99310	1.8
73.02952	5.6
75.00878	6.7
78.95912	1.2
83.01383	3.9
85.02956	7.9
87.00869	2.4
88.98801	3.3
89.02457	8.5
89.18751	1.0
93.03462	9.0
95.01389	1.8
96.96028	4.2
96.96966	2.6
97.02950	1.0
99.00883	2.3
99.92559	1.0
101.02458	11.4
107.01375	1.2
108.02166	2.9
109.02948	3.8
111.00887	1.3
113.02431	5.0
116.92887	7.2
117.03484	13.4
118.03787	1.3
119.03512	2.3
119.05042	12.7
120.05381	2.8
121.02946	3.2
122.03740	1.1
123.04525	1.4
125.02481	6.1
131.03468	1.3
133.02965	16.9
133.05099	1.1
134.03690	1.3
135.04547	41.0
136.04883	2.5
137.02467	15.9
138.02849	0.9
139.00357	2.9
145.02972	38.7
146.03366	4.8
148.05284	1.0
149.06122	4.9
151.00386	7.6
151.04047	1.7
152.01173	4.7
153.01921	2.2
155.10756	2.0
159.04430	1.0
161.02466	72.5
161.04623	3.0
161.06042	2.1
162.01720	1.2
162.02840	3.3
163.04053	9.6
163.11363	1.0
164.04399	1.5
165.01904	1.5
165.04176	1.0
165.05515	1.4
165.12854	3.4
167.03380	0.8
173.04544	1.5
175.04021	2.9
177.01894	1.2
177.04102	2.0
177.05551	13.7
178.02788	1.2
179.03514	63.7
180.03813	3.7
181.12311	1.3
183.13918	5.1
187.04016	1.1
191.05582	1.2
203.03465	2.4
203.07034	0.9
205.05084	2.0
221.04552	20.2
222.04883	0.9
225.11388	0.9
225.15027	1.3
226.06415	1.3
227.06912	1.1
227.12848	6.1
233.04469	1.5
251.05580	22.5
251.12601	1.2
252.05949	2.1
255.03067	1.2
271.06113	6.0
272.06418	5.2
281.06650	29.7
282.06915	1.9
285.03940	1.2
287.05573	2.7
289.06772	1.0
323.07697	27.5
324.07990	2.6
329.15726	1.2
341.08780	42.2
341.12988	2.1
342.09106	4.4
371.24307	1.6
373.25983	1.1
386.13412	1.1
387.23767	1.7
389.18161	3.8
427.10471	1.0
431.19171	3.1
487.12399	66.5
488.12808	11.0
491.21536	1.5
549.21631	1.4
549.29523	8.2
550.22278	9.3
550.30450	5.8
551.16357	5.1
551.31378	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	549.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07500	0.5
59.01376	21.2
61.98829	26.6
71.01350	0.7
72.99309	16.2
73.02969	0.8
76.94407	0.5
78.95885	1.2
85.02975	0.6
98.20647	1.4
102.48822	0.5
119.05036	1.0
135.82828	0.5
163.03883	0.5
174.07549	0.5
211.11227	0.6
229.58063	0.7
230.04594	0.5
363.26773	1.0
377.28622	0.7
391.26471	2.0
393.27844	0.6
489.32214	36.7
490.32617	9.0
503.33585	3.1
504.34470	0.6
513.28546	100.0
514.28906	23.1
549.25922	25.3
550.26239	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	549.2706
Annotation	(+)-N(6)-Acetoxyaphelandrine
Peak:m/z	Relative Intensity
57.03451	0.9
59.01381	13.6
61.98832	22.6
65.00354	0.4
71.01384	6.5
71.65688	0.5
72.01750	0.4
72.99310	1.3
73.02954	1.3
75.00886	0.9
75.99912	0.4
83.01393	1.6
83.05012	0.6
85.02946	2.6
87.00885	0.8
87.04519	0.6
88.98817	1.7
89.02444	4.0
93.03472	2.0
95.01396	0.6
95.05031	0.4
97.02921	0.6
99.00905	0.7
99.04543	0.6
101.02432	3.2
105.03461	0.6
107.01437	0.5
107.05048	0.5
108.02171	0.9
109.02971	1.4
113.02467	2.5
115.92094	1.5
116.92905	1.0
117.03487	1.6
119.03554	1.1
119.05034	4.8
121.02975	1.5
122.03731	1.2
123.04519	1.3
124.01689	0.6
125.02509	2.1
129.01984	0.4
131.03529	0.5
132.02193	14.4
133.03000	5.1
134.03772	12.8
134.43547	0.4
135.04575	2.9
136.01643	0.6
137.02469	9.1
139.04062	0.7
139.11320	0.5
145.02916	2.3
146.03720	0.6
147.04510	0.8
149.02397	0.6
149.06093	2.6
149.99623	1.2
150.03218	1.6
151.00381	1.3
151.03973	0.9
152.01218	0.8
154.02739	0.6
155.10826	0.5
160.01678	75.4
161.02118	4.6
161.04616	0.8
161.06047	0.7
163.00276	0.4
163.04080	2.5
164.01147	0.7
164.04825	0.5
164.77382	0.4
165.01942	4.2
166.02409	0.5
172.05348	0.6
175.04021	89.4
176.04373	5.3
177.01950	1.6
177.04123	0.6
177.05547	1.0
178.02664	1.2
179.03531	2.8
179.04843	0.4
179.05656	0.4
179.07188	0.5
179.10786	0.9
181.05025	0.4
189.01958	1.2
191.03517	0.6
191.05531	0.5
191.07178	1.4
193.05089	8.4
194.05379	0.5
195.05144	0.5
201.05638	0.5
203.03481	0.6
203.07077	0.7
203.12956	0.4
207.06589	0.4
209.11749	0.5
216.00760	0.7
217.01353	0.7
219.03038	0.7
221.04523	0.5
229.01224	0.4
229.08562	0.5
235.06126	1.8
241.05058	0.6
242.02023	0.5
243.06551	0.5
251.16554	0.5
253.18118	1.0
265.07141	0.8
269.04547	0.5
271.06308	1.8
272.06491	0.5
283.06387	0.4
285.07684	1.7
287.05609	1.1
288.06525	2.0
289.07013	0.5
295.08167	0.7
301.07339	1.0
311.05600	0.9
329.06598	0.7
344.79834	0.4
349.10693	0.5
351.21744	0.6
355.11749	0.8
385.12854	1.7
387.14471	2.6
388.14743	0.6
408.11984	0.6
419.11426	1.4
452.10687	0.7
489.24573	0.6
489.31125	0.5
513.15546	0.8
534.24524	1.0
549.26990	100.0
550.18665	0.9
550.27319	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39056	0.8
55.01872	2.1
57.03424	2.5
58.00578	2.2
59.01379	65.5
61.98819	2.5
65.29394	1.0
69.03457	2.2
69.54073	6.6
71.01383	55.3
72.99304	3.6
73.02950	15.3
75.00860	2.9
79.53204	0.8
83.01383	3.9
83.05046	1.4
83.64278	0.9
84.00415	0.9
85.02957	16.7
87.00868	4.7
87.04556	1.0
89.02451	51.9
90.02795	1.1
95.01385	2.5
97.02956	3.4
98.20631	1.5
99.00874	2.0
100.67010	0.8
101.02460	41.5
107.22779	0.8
109.02968	1.1
111.04527	1.8
113.02460	18.7
114.93421	8.2
115.00391	1.7
115.04021	2.4
119.03516	20.1
119.05021	3.2
120.05832	1.2
121.10205	1.3
125.02458	1.8
129.01945	1.5
131.03510	3.8
135.11812	4.4
137.02510	1.1
143.03532	2.7
145.05080	2.3
149.04599	1.0
149.09726	2.0
151.00392	2.7
155.10851	1.2
159.08128	3.4
159.11864	1.5
161.04564	5.3
161.09723	11.9
163.06134	14.2
175.11363	1.7
177.04022	4.4
179.05634	6.6
179.10791	21.2
180.11090	1.3
181.07185	41.2
181.12326	1.5
182.07474	2.5
193.12288	6.5
195.05078	2.4
203.10783	11.1
205.07155	3.2
221.11790	6.8
223.09686	1.4
225.11296	1.7
227.03476	7.1
228.03940	1.2
233.11853	1.2
251.12865	1.5
255.02991	15.0
256.03537	2.4
271.06091	6.2
284.03210	23.0
285.03918	5.5
325.11359	26.6
325.15167	1.5
326.11777	3.2
343.12460	80.0
344.12894	4.7
435.43762	1.1
483.94397	1.1
505.22879	13.2
506.23123	1.9
549.12469	22.0
549.21710	100.0
549.29205	11.4
550.12781	2.9
550.21887	17.0
550.29242	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89240	1.0
52.06055	1.0
53.92066	1.0
55.01863	1.1
57.03445	5.3
58.00592	2.3
59.01376	66.2
60.01718	1.5
61.98828	29.9
69.03476	2.3
69.62797	8.1
71.01383	53.2
71.05034	1.1
72.99291	5.8
73.02948	22.6
75.00870	7.3
81.03467	1.3
83.01395	7.0
83.05054	2.5
85.02959	21.4
87.00883	6.9
87.04523	3.1
88.98790	2.3
89.02449	50.2
93.03464	3.5
95.01393	4.3
95.05032	1.3
96.96024	1.3
97.02962	4.2
97.37007	1.2
99.00891	3.3
99.04521	1.3
99.92584	2.1
101.02452	37.9
107.01386	1.7
108.02213	1.1
109.02962	4.0
111.00862	1.4
111.04468	2.0
113.02461	23.3
114.02828	1.3
115.04005	3.1
116.92861	33.6
117.01964	1.7
117.03492	3.0
117.92879	2.1
119.03511	16.4
119.05009	10.8
121.02974	1.6
121.10279	1.7
123.04534	2.8
125.02464	7.2
125.09778	1.5
127.04021	1.3
129.01936	1.4
131.03493	3.8
133.02966	1.7
133.10196	1.3
134.03743	1.5
135.04568	2.6
135.11803	4.3
137.02451	7.7
139.00505	1.5
139.03976	1.2
143.03508	3.7
145.02982	6.7
145.05034	3.5
149.04543	2.5
149.09723	2.1
151.00351	5.3
151.03990	1.8
151.36072	1.3
152.01135	1.5
153.01904	1.1
155.10779	1.4
159.03032	1.3
159.08183	5.5
159.11734	1.7
160.01643	3.7
161.02493	5.2
161.04630	5.9
161.05928	1.6
161.09729	15.3
162.10158	1.2
163.04071	5.9
163.06123	16.1
163.11282	2.5
165.01956	3.1
166.02754	1.2
166.05183	1.5
167.03510	4.3
173.06047	1.4
175.04018	3.9
175.07607	1.7
175.11382	1.3
177.04073	10.1
179.03519	1.1
179.05573	6.2
179.09319	1.7
179.10771	14.0
181.05551	2.0
181.07196	41.3
181.10866	1.6
181.12300	8.4
182.07535	1.6
183.10324	1.3
189.13025	1.1
192.00720	2.1
193.05051	2.4
193.12334	3.8
195.05070	1.5
201.11310	2.9
203.07091	1.4
203.10799	10.3
204.11121	1.5
205.05217	1.4
205.07126	1.8
211.02483	1.6
221.11841	4.6
222.07741	1.2
223.13416	2.1
225.11295	18.0
227.03587	1.3
229.08662	2.2
233.11940	1.9
251.12773	1.5
255.02907	1.9
256.94995	1.1
271.06058	9.5
284.03140	1.7
289.07184	2.9
293.44406	1.1
301.03397	1.7
325.11353	14.3
327.14352	3.3
343.12442	62.4
344.12909	6.2
367.11865	4.7
371.16962	1.9
379.35019	1.2
385.12836	5.5
387.16739	5.2
387.24014	2.5
403.15961	2.2
411.14566	1.4
505.22708	16.2
506.22824	1.9
531.20734	3.9
531.28271	1.5
549.12457	10.8
549.21716	100.0
549.29291	29.1
550.13153	2.1
550.22180	18.3
550.29639	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	549.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
55.29878	1.4
56.76540	1.4
57.03436	5.1
58.00581	2.8
59.01378	84.9
61.98824	14.2
69.03448	2.3
71.01383	67.2
72.99288	4.2
73.02951	19.0
75.00864	4.6
80.05057	2.1
82.57990	1.7
83.01383	7.0
85.02953	21.4
87.00887	5.5
87.04481	1.6
89.02448	69.2
90.02792	1.6
93.03483	1.5
95.01379	3.6
97.02936	4.2
99.00885	2.1
101.02458	52.3
107.01360	1.8
109.02936	1.8
111.04484	3.0
113.02466	26.1
115.04028	3.7
117.03461	1.9
119.03523	25.1
119.04978	3.0
121.02959	3.9
121.10242	2.0
124.04054	5.2
125.02447	5.3
131.03490	4.9
135.11781	5.5
136.01672	36.9
137.02405	5.6
143.03517	6.9
144.19061	1.9
145.02954	3.5
145.04991	2.0
149.09712	3.1
151.00383	8.1
151.04025	44.1
152.04469	2.3
159.08170	5.0
159.11726	1.6
161.04550	6.1
161.09727	14.6
161.13490	2.2
163.03995	3.8
163.06126	18.5
163.11230	1.8
164.19516	1.7
166.02736	21.1
166.88814	1.9
167.14163	1.5
168.03026	9.5
175.03976	2.3
177.04097	1.9
178.99904	2.1
179.05602	12.0
179.10805	20.8
181.05055	23.0
181.07181	51.2
181.12367	16.3
182.07565	2.1
193.12279	4.7
203.10811	14.1
205.05228	1.6
205.07176	4.2
221.11798	5.5
223.06110	2.7
225.11342	32.0
226.11678	3.1
227.03506	24.7
228.03970	2.8
255.02974	50.6
256.03442	8.8
259.05984	5.0
267.06628	1.5
284.03275	67.5
285.03983	20.9
287.05542	4.5
325.11426	38.5
326.11551	3.6
343.12457	100.0
344.12924	9.6
357.05954	1.5
357.09674	8.0
357.13712	1.5
358.10165	1.8
372.12057	6.4
387.14481	71.9
388.15042	8.6
388.19144	1.6
505.22897	13.3
549.12408	43.8
549.21674	93.6
549.29382	12.9
550.12744	8.5
550.22125	20.0
550.29529	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.0
56.04591	0.9
57.03449	2.3
58.00596	1.6
59.01380	45.4
61.98835	4.4
65.00306	1.0
69.03476	1.1
71.00990	1.6
71.01385	33.1
72.99313	2.6
73.02947	5.8
75.00879	2.7
81.03479	1.2
83.01390	3.3
85.02962	11.6
87.00881	3.4
89.02454	33.5
93.03484	1.2
95.01399	2.8
96.96027	1.3
97.02970	1.2
99.00892	1.5
101.02462	28.7
111.04535	0.9
113.02470	15.2
113.06094	1.2
115.04015	1.3
119.03509	12.5
119.05076	0.9
125.02461	2.0
131.03503	3.1
132.02234	1.5
133.02905	1.8
134.03821	0.9
135.00902	1.5
135.04517	3.2
135.11800	2.8
136.01685	3.6
137.02521	1.3
143.03517	2.6
145.02960	1.5
145.05035	1.0
149.04576	1.6
149.06114	1.4
149.09677	1.0
151.00401	3.3
151.04013	6.0
159.04538	0.8
159.08174	3.0
159.11829	1.9
161.02478	2.3
161.04572	5.0
161.09740	6.8
163.00392	1.1
163.06137	10.2
166.02751	3.1
175.04027	0.8
175.11255	1.6
177.04054	2.6
178.02802	1.0
178.99863	0.9
179.03484	2.6
179.05627	5.0
179.10796	11.2
181.05136	3.5
181.07198	20.1
181.12405	0.8
182.07587	1.2
185.02498	0.8
187.03920	0.9
193.05086	1.9
193.12358	1.9
203.10773	5.6
205.07146	3.6
211.04034	1.6
221.04532	1.5
221.11893	2.6
223.09935	0.8
225.11345	1.7
227.03500	33.5
228.03975	2.8
229.05081	3.1
251.05597	1.9
255.02982	66.5
256.03375	8.2
257.04462	2.3
259.05988	1.5
281.06467	1.9
283.02362	1.7
284.03256	100.0
285.03848	23.3
286.04279	1.5
325.11392	24.8
325.69855	0.8
326.11682	1.7
341.08734	1.0
343.12466	55.2
344.12680	5.0
384.73877	0.8
387.14429	9.7
387.23642	1.0
399.07260	1.7
401.14471	1.1
470.96240	1.0
505.23029	3.9
524.77222	1.0
549.12390	84.8
549.21667	46.2
549.29462	9.4
550.12732	18.0
550.22040	8.5
550.29773	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	549.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37840	0.4
55.01854	0.5
57.03445	1.5
58.00590	0.9
59.01377	17.6
61.98829	2.5
69.81032	2.7
71.01382	18.0
72.99314	1.7
73.02940	2.6
75.00889	1.5
83.01382	1.0
85.02962	5.1
87.00897	3.4
88.98818	3.5
89.02451	11.5
91.01923	0.7
93.03457	1.9
95.01395	1.4
98.19981	0.9
99.00876	1.2
101.02453	11.0
107.05102	0.5
109.02979	0.6
113.02456	5.6
115.00382	1.4
115.04058	0.6
116.19127	0.5
117.01878	0.4
117.03484	0.7
119.01339	2.5
119.03532	3.5
119.05038	1.2
121.02955	3.9
123.04489	0.6
125.02479	0.6
127.04042	0.5
129.01930	1.2
131.03557	1.0
132.02206	0.5
133.02946	0.6
134.03690	0.8
134.06119	1.2
135.04543	1.5
135.95642	0.5
137.02472	4.1
138.43198	0.5
143.03506	0.9
147.00894	1.1
147.03065	3.1
147.04507	2.4
149.02457	25.0
150.02924	0.9
151.03870	0.6
161.02417	1.1
161.04539	1.3
162.03227	0.5
163.04030	3.4
163.06113	3.0
164.04808	25.2
165.01956	1.4
165.05316	1.9
175.00380	19.0
175.02164	0.6
175.02570	0.7
175.03917	0.6
176.00993	1.2
177.04039	0.8
177.05504	1.1
179.03508	1.0
179.05635	1.5
179.07159	4.0
181.07179	6.6
184.79938	0.5
188.04774	0.7
190.02731	58.0
191.03313	6.9
191.05302	0.9
192.04025	0.8
193.01445	0.9
194.02388	0.5
195.05142	0.6
203.07144	1.0
205.05066	68.4
206.05650	7.1
207.03000	1.5
207.06372	0.8
207.92230	0.5
208.03780	4.0
209.04526	1.5
215.27295	0.5
221.08209	7.7
223.06114	56.3
224.06412	3.8
235.02481	0.5
237.07727	3.1
250.04865	1.9
265.07172	19.8
266.07486	1.2
271.09930	0.8
295.07980	2.5
325.09125	2.4
325.11740	2.4
326.92416	0.7
343.12521	2.9
367.10324	1.0
385.11407	1.5
401.14404	0.7
411.11783	0.6
413.10803	0.7
449.15192	0.5
459.14978	0.7
473.12137	0.7
549.18152	100.0
550.18512	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	549.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37840	0.4
55.01854	0.5
57.03445	1.5
58.00590	0.9
59.01377	17.6
61.98829	2.5
69.81032	2.7
71.01382	18.0
72.99314	1.7
73.02940	2.6
75.00889	1.5
83.01382	1.0
85.02962	5.1
87.00897	3.4
88.98818	3.5
89.02451	11.5
91.01923	0.7
93.03457	1.9
95.01395	1.4
98.19981	0.9
99.00876	1.2
101.02453	11.0
107.05102	0.5
109.02979	0.6
113.02456	5.6
115.00382	1.4
115.04058	0.6
116.19127	0.5
117.01878	0.4
117.03484	0.7
119.01339	2.5
119.03532	3.5
119.05038	1.2
121.02955	3.9
123.04489	0.6
125.02479	0.6
127.04042	0.5
129.01930	1.2
131.03557	1.0
132.02206	0.5
133.02946	0.6
134.03690	0.8
134.06119	1.2
135.04543	1.5
135.95642	0.5
137.02472	4.1
138.43198	0.5
143.03506	0.9
147.00894	1.1
147.03065	3.1
147.04507	2.4
149.02457	25.0
150.02924	0.9
151.03870	0.6
161.02417	1.1
161.04539	1.3
162.03227	0.5
163.04030	3.4
163.06113	3.0
164.04808	25.2
165.01956	1.4
165.05316	1.9
175.00380	19.0
175.02164	0.6
175.02570	0.7
175.03917	0.6
176.00993	1.2
177.04039	0.8
177.05504	1.1
179.03508	1.0
179.05635	1.5
179.07159	4.0
181.07179	6.6
184.79938	0.5
188.04774	0.7
190.02731	58.0
191.03313	6.9
191.05302	0.9
192.04025	0.8
193.01445	0.9
194.02388	0.5
195.05142	0.6
203.07144	1.0
205.05066	68.4
206.05650	7.1
207.03000	1.5
207.06372	0.8
207.92230	0.5
208.03780	4.0
209.04526	1.5
215.27295	0.5
221.08209	7.7
223.06114	56.3
224.06412	3.8
235.02481	0.5
237.07727	3.1
250.04865	1.9
265.07172	19.8
266.07486	1.2
271.09930	0.8
295.07980	2.5
325.09125	2.4
325.11740	2.4
326.92416	0.7
343.12521	2.9
367.10324	1.0
385.11407	1.5
401.14404	0.7
411.11783	0.6
413.10803	0.7
449.15192	0.5
459.14978	0.7
473.12137	0.7
549.18152	100.0
550.18512	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	549.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70897	0.7
55.01875	0.7
57.03448	7.3
58.19712	0.6
59.01376	22.8
61.98830	22.3
63.02412	2.0
65.00320	11.0
69.03446	1.1
70.31436	2.5
71.01381	10.5
71.05012	1.1
72.99327	1.8
73.02951	3.5
75.00878	3.2
81.03478	1.1
83.01389	9.1
85.02957	5.7
87.00890	2.1
87.04555	0.7
88.98823	2.5
89.02460	6.2
91.01924	0.7
93.03466	5.9
95.01411	2.0
95.05078	0.9
95.13641	0.7
97.02962	1.7
99.00858	1.6
101.02446	7.4
105.03518	1.1
106.04266	0.8
107.01405	23.1
107.05035	1.7
108.02216	2.0
109.02976	8.3
111.00878	1.0
113.02431	4.7
115.92085	1.8
116.92892	3.6
117.03493	2.3
119.03545	1.6
119.05032	9.9
121.02949	4.4
123.00925	1.1
123.04555	6.1
124.01669	1.6
125.02460	100.0
126.02802	3.1
129.01982	1.1
131.01433	2.0
131.03505	0.9
133.02972	12.9
134.03767	1.9
135.04539	53.9
136.04860	1.7
137.02448	9.4
137.09749	0.9
138.03128	0.6
139.03996	3.1
139.11284	1.7
140.68826	0.7
143.03485	1.0
145.02945	7.1
147.04565	1.3
149.02443	14.5
149.06093	1.2
150.03137	1.6
151.00381	98.4
151.03886	3.4
152.00702	4.8
153.01959	22.2
155.10811	2.1
159.03084	1.0
159.04445	1.2
160.01671	0.9
161.02466	42.5
161.04599	1.7
161.06039	1.3
162.02940	2.4
163.00304	1.0
163.04044	6.0
164.01039	0.7
165.01915	3.5
165.05571	1.9
165.09276	1.0
167.03523	2.9
168.00638	1.2
169.01463	3.6
171.04576	1.1
173.04639	1.7
174.03221	2.0
175.00412	7.2
175.04015	10.4
176.00897	1.4
177.00217	3.0
177.01917	19.6
177.03664	1.2
177.04086	1.0
177.05530	2.1
178.02254	1.2
178.99881	17.4
179.03491	8.2
179.05719	1.2
179.10840	0.9
180.00284	1.1
181.01445	12.7
181.08789	0.9
181.12355	2.2
183.10194	3.6
187.03905	1.2
187.07726	1.0
188.04836	2.0
189.01921	1.1
189.05565	3.6
191.03506	3.1
191.05510	0.9
193.01466	3.4
193.05058	1.2
195.02879	1.0
199.03992	5.8
199.13461	0.9
201.01962	1.7
203.03571	0.8
203.07117	0.9
205.01477	1.1
205.05089	1.4
211.07616	1.5
213.05536	1.3
214.02716	0.8
216.04317	1.5
217.01476	0.8
217.04999	5.8
219.03065	0.9
221.04532	1.4
225.11377	1.9
231.06621	1.1
235.06218	0.9
241.05078	5.1
241.10992	1.1
242.05388	0.9
243.02948	1.9
243.12366	6.6
251.05496	1.2
255.02959	1.2
256.03812	1.1
257.04419	1.3
259.06128	3.8
271.06076	3.1
275.05585	18.4
276.06006	1.9
279.55344	0.7
281.06680	1.4
284.03308	2.1
285.04034	48.3
285.13434	3.1
286.04306	4.9
287.05591	72.4
288.05984	8.0
299.05576	6.8
300.06305	0.9
303.05093	87.0
304.05426	7.7
323.07684	1.4
327.05145	2.2
341.08945	1.4
343.24918	1.3
343.66730	0.7
351.21872	0.8
369.22876	1.6
385.12918	0.8
387.23666	1.6
397.11407	1.7
399.12720	0.8
413.10883	1.0
417.24988	1.0
425.10828	8.3
426.11285	1.2
427.12537	5.9
487.12256	2.2
489.23093	1.5
505.20462	1.0
505.29947	0.8
521.16382	3.7
531.14899	3.9
532.14514	1.1
549.22479	22.3
549.30298	10.9
550.22974	3.9
550.30682	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74900	0.2
55.01890	0.2
57.03452	0.4
57.97214	0.2
59.01375	4.2
61.98830	7.4
63.02388	2.2
65.00320	5.7
66.59035	0.2
68.99841	0.2
69.03482	0.2
71.01379	3.9
71.33885	0.3
72.99323	0.4
73.02961	1.4
75.00875	0.8
81.03475	0.2
83.01389	4.2
85.02958	1.7
87.00879	0.8
87.04523	0.4
88.98792	0.7
89.02451	3.3
91.51957	0.2
93.03462	6.0
93.04022	0.3
94.03796	0.2
95.01408	0.3
96.96018	0.5
97.02993	0.5
99.00882	0.2
101.02433	1.9
103.01852	0.2
107.01401	9.6
108.02249	0.3
108.99285	0.2
109.02985	0.5
113.02464	1.1
115.92091	0.4
116.92860	0.8
117.02029	0.2
117.03479	1.5
119.03577	0.7
119.05042	25.8
120.05355	1.5
121.02966	0.7
123.00972	0.3
124.01618	0.2
125.02453	2.0
125.09786	0.2
131.01395	0.7
131.03493	0.3
133.02979	1.3
133.05078	4.0
134.03729	0.3
135.04549	4.5
136.01735	0.2
136.04871	0.3
137.02461	1.6
139.04051	0.3
143.05017	0.5
145.02969	5.3
146.03340	0.4
149.02477	0.4
149.04559	0.4
151.00385	41.4
152.00702	1.8
155.10803	0.9
160.01706	0.3
161.02464	4.7
161.04605	0.7
161.05995	0.9
162.02823	0.6
163.04016	1.7
164.01152	0.2
164.04617	0.2
165.01967	2.0
169.01463	1.6
171.10246	0.3
173.04648	0.3
173.11900	0.3
175.00378	2.7
175.01770	0.2
175.03957	0.3
177.01941	3.3
177.03424	0.3
177.04175	0.2
177.05582	0.5
178.02393	0.2
179.03543	1.0
179.05597	0.6
181.05151	0.4
185.06097	0.9
187.04022	1.4
189.02008	0.5
193.01428	1.0
199.07756	0.3
199.09761	0.4
201.11299	1.0
203.07062	0.2
205.01450	0.4
205.05064	0.4
215.12871	0.2
225.11272	0.3
227.07114	1.4
228.07521	0.2
229.05130	0.4
271.06100	100.0
272.06439	9.2
272.09415	0.4
276.42239	0.2
284.03207	0.3
285.04126	0.4
285.07553	0.3
287.05612	6.4
288.05875	0.6
295.06146	3.1
296.06378	0.3
313.07132	1.8
323.09912	0.3
335.17145	0.5
387.19958	0.4
387.24231	0.3
388.10397	0.3
415.10339	0.5
417.15530	0.3
433.11456	1.5
487.12326	0.7
505.13605	0.6
517.14490	1.1
531.20966	0.4
531.28259	0.4
549.15405	0.4
549.21942	4.3
549.29547	2.9
550.15753	0.3
550.23157	0.5
550.30597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86357	0.3
59.01107	0.4
59.01375	3.6
61.98819	0.6
65.00312	0.6
66.19491	0.3
69.65822	2.1
72.99297	0.3
73.02930	1.1
80.05057	0.5
80.11478	0.3
83.01395	0.9
85.02958	0.8
89.02467	2.6
93.03463	0.4
95.01363	0.5
95.02483	0.3
101.02461	1.7
107.01392	1.3
109.02972	0.5
113.02455	0.9
119.03490	0.9
121.02958	1.3
125.02477	0.4
131.52185	0.3
132.02196	0.9
135.00908	1.5
136.01666	3.0
137.02463	0.6
143.04979	0.4
145.02946	0.6
149.89069	0.3
151.00365	3.0
151.03085	0.4
151.04053	4.6
152.01138	0.4
159.04575	0.3
161.04596	0.5
161.09737	0.4
163.00362	1.4
163.03963	0.3
163.06107	0.4
164.01076	0.8
166.02715	2.0
167.05006	0.3
168.03073	1.4
178.99863	1.4
179.10738	1.1
181.05046	2.6
181.07170	1.5
181.12308	0.8
183.04463	0.5
185.02339	0.5
185.06187	0.4
187.04036	1.0
190.99983	0.4
195.04593	0.3
211.03954	1.6
213.05554	0.5
221.11745	0.3
225.11365	1.1
227.03491	37.9
228.03810	3.3
229.05054	2.7
230.05362	0.4
239.03439	0.9
241.04984	0.7
255.02971	71.6
256.03461	9.8
257.04465	1.9
283.02423	1.1
284.03247	100.0
285.03885	26.3
285.06598	0.3
286.04385	1.4
325.11487	0.9
327.05045	0.4
343.12494	3.0
348.67468	0.3
357.09845	0.7
372.12070	0.6
387.14487	7.1
387.24213	0.4
388.14835	1.0
399.07159	1.5
417.08380	0.4
549.12463	88.0
549.21307	4.5
550.12799	16.7
550.21600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23041	0.2
59.01377	3.0
59.34617	0.2
61.98825	100.0
64.43451	0.2
70.76698	0.2
70.77054	0.7
77.03952	0.4
93.03473	0.4
101.54276	0.2
121.02963	27.7
137.72400	0.2
165.01938	12.9
181.06577	0.7
181.10352	0.2
197.06100	0.5
199.75018	0.2
207.04500	0.3
225.05554	0.6
257.09421	0.2
339.52298	0.2
417.09583	0.5
439.28201	0.4
475.40939	0.2
488.33472	0.5
489.33078	0.2
502.32336	0.4
503.33829	0.2
505.11313	0.5
513.28625	0.4
548.34918	1.1
549.10284	11.3
549.28656	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14390	0.2
59.01381	1.8
61.98827	100.0
72.52141	0.3
126.89474	0.3
134.33948	0.3
211.14215	0.3
263.09351	0.3
488.32846	0.3
489.32153	3.6
513.28766	0.4
532.44025	0.3
548.33655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03440	0.3
58.00567	0.3
59.01376	6.4
61.98827	3.0
63.02395	0.5
65.00309	0.4
69.55188	0.8
69.55616	1.3
71.01383	5.2
72.99291	0.6
73.02950	1.1
75.00892	1.5
83.01393	0.7
85.02953	2.3
87.00877	0.8
88.75922	0.2
89.02447	4.6
93.03452	0.6
95.01419	0.5
97.02949	0.6
99.00917	0.4
101.02451	3.2
107.01391	1.2
108.02177	0.3
109.02972	0.6
113.02468	1.6
114.93407	0.2
116.92883	0.5
119.03500	1.3
119.05024	0.3
121.02969	1.0
122.03710	0.5
123.00911	0.4
123.04547	0.3
125.02482	0.5
129.01941	0.9
131.03471	0.3
132.02197	1.1
133.02968	0.7
134.03792	0.3
135.00891	1.0
135.04576	1.4
135.11819	0.8
136.01663	6.5
137.02493	1.4
143.03476	0.6
149.06097	0.3
151.00392	4.0
151.04019	9.6
152.01077	0.4
152.04382	0.4
159.03094	0.2
159.04498	0.3
161.02428	2.1
161.04573	0.8
161.09746	0.9
162.03215	0.3
163.00388	0.9
163.04036	0.4
163.06111	1.0
164.01157	0.5
165.01959	0.3
165.04129	0.3
166.02725	8.7
167.03093	0.7
177.01941	0.7
177.04016	1.5
177.05588	0.7
177.12782	0.3
178.99870	1.1
179.03528	2.0
179.05608	0.6
179.10777	3.0
181.05058	10.1
181.07162	2.4
182.05380	0.5
183.04526	0.6
185.02376	0.3
185.06024	0.4
187.03958	0.7
189.05627	0.3
191.03549	0.3
193.05096	0.4
193.12303	0.3
195.05014	0.7
199.04039	0.4
200.04683	0.3
203.10762	0.3
205.07036	0.4
211.03976	1.3
212.04649	0.5
213.05490	0.4
221.04552	0.8
221.11737	0.5
223.09811	0.3
227.03490	29.1
228.03876	2.9
229.05003	2.1
239.03445	1.0
241.05023	0.5
251.05556	0.9
255.02962	63.7
256.03473	8.3
257.04532	1.9
281.06601	1.4
283.02457	1.5
284.03232	100.0
285.03836	23.6
286.04431	1.2
325.11395	3.1
329.10330	0.4
341.08759	0.7
343.12427	4.1
344.12674	0.5
352.85004	0.3
357.09750	1.9
372.12253	1.5
383.13553	0.4
387.14468	23.3
388.14835	3.1
399.07098	1.4
401.14572	2.0
417.08237	0.8
434.14670	0.3
505.22812	0.6
549.12390	78.9
549.21039	5.9
549.29779	2.1
550.12659	14.5
550.20386	0.8
550.29675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
59.01377	87.4
60.01690	1.1
60.99295	2.0
61.15774	0.9
61.98829	77.2
68.88227	0.9
71.01372	3.2
71.05017	2.0
72.02159	1.0
72.99294	4.4
73.02943	3.4
75.00853	1.0
83.05048	1.0
87.30337	1.2
94.26764	0.8
96.04804	0.8
96.84127	1.0
102.55786	1.0
145.02942	2.7
163.04070	1.7
180.29657	0.9
232.84625	1.1
251.20168	2.5
277.46777	0.9
303.17511	0.9
371.35361	1.1
387.29041	1.8
389.28375	1.6
405.31372	4.5
407.33594	2.0
409.31027	3.7
413.34219	1.9
421.31113	1.3
423.32184	1.9
425.34219	85.1
426.34583	17.6
427.32263	2.8
439.32315	2.3
441.33603	1.8
443.35254	38.5
444.35770	7.2
447.23596	1.2
469.32965	3.5
487.34280	100.0
488.34595	20.0
547.36005	15.5
548.36310	1.9
569.82251	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.4
60.34837	0.4
60.71333	0.3
61.98830	100.0
69.40685	0.6
69.41105	2.0
77.03986	0.8
88.87914	0.3
92.27761	0.3
96.96033	0.6
98.82829	0.3
109.86896	0.3
121.02971	43.5
165.01955	22.0
180.05768	0.3
181.06598	1.3
181.67436	0.3
191.03464	0.3
197.06093	1.1
207.04510	0.5
222.12029	0.3
225.05560	0.8
240.57146	0.3
313.07010	0.5
417.09937	1.1
488.33633	0.6
501.44675	0.4
503.33469	0.5
505.11438	0.8
517.14337	0.4
548.35925	1.6
549.10321	17.3
549.28442	0.6
560.47589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.7
59.01379	54.2
59.01682	2.7
60.01711	1.2
60.99301	2.3
61.60874	1.2
61.98830	69.3
67.06965	1.2
70.45757	1.6
70.46111	5.0
71.05033	3.1
72.99349	1.2
73.02954	4.9
75.00893	1.6
80.28673	1.3
131.64091	1.5
132.24425	1.3
136.00221	1.5
140.38983	1.4
145.02989	1.6
242.66293	1.4
287.16309	2.2
301.18140	8.9
347.18686	2.8
361.20135	4.1
371.29599	1.6
394.20001	2.0
416.08200	1.6
427.28751	4.1
469.33212	3.3
486.33453	1.7
487.34393	100.0
488.34863	18.1
547.36627	59.2
548.11652	2.0
548.37061	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98389	0.3
51.51275	0.3
57.03447	1.2
59.01375	17.5
60.01727	0.5
60.99320	0.9
69.99114	1.6
73.02953	3.6
85.11214	0.3
87.04515	5.1
210.50171	0.3
225.34891	0.3
327.27237	0.6
365.28564	1.1
371.29260	0.7
379.30225	0.6
380.30539	0.3
383.29486	0.7
385.31155	0.5
387.32507	0.5
397.31107	0.4
409.31116	1.2
410.31635	0.4
425.30331	0.8
427.32120	0.6
439.32272	0.7
441.33749	1.2
453.30051	0.5
469.33228	6.7
470.33560	0.8
487.34253	50.5
488.34610	11.6
505.34851	0.3
547.36304	100.0
548.36652	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	547.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03502	1.2
59.01109	1.3
59.01441	15.2
60.99353	0.7
61.98886	0.3
66.46280	0.3
69.39103	2.1
69.39516	0.6
73.03029	3.0
83.04689	0.3
83.05149	0.4
87.04613	4.6
91.47739	0.2
102.90186	0.3
115.95107	0.3
151.87511	0.3
353.28543	0.3
365.28595	0.6
371.29758	0.4
379.30099	0.6
381.28003	0.6
383.29550	0.7
385.31158	0.4
409.31158	1.0
412.56427	0.3
423.32870	0.5
425.30521	0.7
427.32169	0.5
439.32407	0.6
441.33533	0.8
469.33319	6.0
470.33585	1.3
487.34296	47.9
488.34561	10.5
505.35565	0.5
547.36328	100.0
548.36670	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02009	0.7
59.01378	16.6
60.01708	0.8
60.99303	1.0
61.98830	23.4
68.72356	0.7
70.32847	1.2
70.33249	2.0
71.05027	1.9
72.99302	6.1
80.33540	0.6
125.35925	0.8
205.84717	0.7
227.46841	0.9
256.89044	0.7
325.88907	0.7
352.18289	0.6
379.30002	1.0
387.28937	1.5
389.28629	1.4
397.31128	1.4
405.31641	4.9
407.33215	1.8
409.31134	1.6
413.34000	2.6
423.32864	1.6
425.34576	4.5
427.32172	4.6
441.33578	3.6
443.35321	1.1
457.33231	0.8
487.34256	100.0
488.34616	21.0
547.35577	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	547.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35788	1.7
57.03452	3.1
59.01379	61.8
59.63586	1.8
61.98830	100.0
69.82418	1.6
71.01378	5.0
71.16388	3.8
73.02953	9.7
75.00895	2.0
78.95911	4.0
83.05055	1.8
87.04516	3.5
89.02457	2.4
96.96021	2.2
99.04566	1.9
101.02473	2.4
109.02985	5.6
113.02478	2.5
114.04630	1.9
115.04053	2.2
119.05021	2.7
123.04489	1.9
125.02384	2.5
150.03253	2.0
173.04622	2.2
177.01892	3.1
189.01959	10.7
209.11823	6.9
217.01419	20.8
218.01787	2.8
227.12909	1.9
233.29933	1.9
253.09290	2.8
271.06128	2.5
287.93362	1.9
311.22162	4.1
327.05109	10.9
413.26846	3.8
427.24866	5.4
429.26236	4.7
487.30319	94.7
488.30765	15.9
501.31995	6.8
547.15100	3.3
547.33807	46.0
548.33618	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	547.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03447	1.3
58.00562	0.5
59.01381	7.7
61.98834	6.9
65.00340	0.4
69.03454	0.9
69.60102	1.7
69.60528	1.3
71.01388	6.4
72.99311	0.8
73.02958	1.8
75.00878	1.2
80.95778	0.4
81.03469	0.7
83.01398	1.2
85.02961	2.4
87.00902	0.9
88.98792	0.8
89.02454	3.7
93.03466	5.6
94.03799	1.3
95.01373	0.8
95.05001	0.8
96.96056	0.4
97.02943	0.7
97.06628	0.4
99.00900	0.7
99.04502	0.5
101.02462	2.1
107.01376	0.6
108.02208	0.7
109.02958	1.3
110.32686	0.4
111.00888	0.4
113.02478	2.4
117.03481	26.8
118.03775	0.8
119.05039	23.8
120.05397	0.8
121.02966	1.5
121.80839	0.4
123.04526	2.2
125.02458	3.4
131.03569	0.5
132.05841	1.0
133.02965	1.1
133.06627	3.0
135.04515	0.8
135.43340	0.4
137.02469	7.6
138.02795	2.1
139.02985	1.8
139.03978	0.4
145.02971	100.0
146.03308	5.6
147.04486	0.4
149.02446	0.6
149.06111	0.4
150.03116	0.5
150.28639	0.3
151.00406	2.5
151.04077	0.8
151.07536	0.6
152.00726	0.5
153.01968	0.7
155.10748	0.7
159.04521	0.7
160.01712	0.3
161.02492	3.0
161.04724	0.6
161.06099	8.8
161.09731	0.9
162.06447	0.5
163.04022	33.1
164.04356	1.2
165.00177	0.9
165.01909	0.7
165.09277	0.6
167.03502	3.5
168.03873	0.5
168.43361	0.4
169.03957	0.5
170.05774	0.6
173.09673	0.7
175.03976	0.8
175.07639	0.5
176.04776	0.8
177.01950	2.3
177.04076	0.6
177.05547	3.8
177.09242	0.6
177.97345	0.4
179.03465	1.1
179.10823	2.8
181.12340	0.4
187.03983	1.2
187.07626	0.7
188.08110	0.5
189.01955	5.0
190.02625	1.4
191.03523	1.5
191.05429	0.5
191.10773	0.4
203.10767	1.6
205.03249	0.8
205.05078	11.0
205.08545	0.4
206.05414	1.1
206.09479	1.3
209.04568	0.7
215.07245	0.7
216.00543	0.4
217.01442	2.8
219.02934	1.0
221.11873	1.5
231.02988	0.8
235.06183	4.0
255.02962	0.8
265.07181	8.6
266.07532	0.6
271.02475	0.6
271.05994	0.5
281.06924	0.4
285.04080	1.4
287.05615	0.6
289.07193	0.5
300.02679	0.8
301.03455	0.8
303.05136	1.0
307.08237	2.9
325.09253	1.5
325.20227	0.5
341.06604	8.8
342.06979	1.1
367.10315	2.6
367.21405	0.4
383.11240	0.4
384.11636	0.7
385.11990	1.7
385.22427	0.6
401.18277	0.9
427.14166	1.8
475.08698	0.7
487.19836	1.6
503.14755	0.5
529.20972	1.7
547.21722	63.3
548.22003	11.7
548.29865	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
57.03442	2.1
58.00593	2.9
59.01379	79.9
60.99300	9.2
61.98830	12.7
62.28244	1.1
69.03455	6.5
69.35915	12.1
71.01386	85.2
72.99318	4.7
73.02952	13.3
75.00870	6.8
80.91668	1.5
81.03462	5.2
83.01392	5.8
83.05058	1.7
85.02949	13.6
87.00893	4.6
88.04143	1.2
88.98813	80.7
89.02450	100.0
90.02805	1.8
93.03447	1.9
95.01405	4.3
96.13313	1.3
96.96018	10.8
97.02956	11.3
99.00886	14.9
99.04513	2.4
101.02447	18.2
101.59232	1.2
111.00885	3.2
113.02444	12.3
115.04029	7.5
116.92897	1.5
117.03383	1.9
119.03517	4.4
119.05025	4.3
121.02955	4.2
123.04607	1.7
125.02464	48.8
126.02800	1.6
127.04026	2.5
129.01971	2.0
131.03532	14.1
133.03000	1.5
135.04556	6.6
137.02472	3.2
143.03513	4.0
145.02946	4.4
149.04575	18.4
149.06050	2.4
150.03262	1.7
151.00423	3.0
160.01653	6.0
161.02512	9.3
161.04558	2.4
161.06061	1.9
161.09744	2.8
163.04033	29.5
164.04431	1.6
173.04591	2.6
175.04031	5.3
177.04018	4.8
178.06390	20.7
179.03488	2.9
179.06979	1.8
179.10753	5.8
191.05615	14.5
193.08716	9.3
208.33820	1.2
223.09781	2.0
225.11290	2.7
233.06633	31.9
255.02924	1.7
271.02444	1.9
285.04108	1.7
287.05392	2.1
293.08789	96.3
294.09070	5.5
297.11664	1.5
300.02521	1.5
385.14828	2.1
473.16650	4.6
473.66675	1.9
529.20618	2.2
547.19427	23.9
547.27448	5.3
548.19513	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	547.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05088	1.3
55.01873	3.1
56.03303	1.2
57.03431	3.6
58.00594	2.9
59.01379	100.0
61.98828	24.3
65.56696	1.3
69.03443	7.0
71.01385	80.2
71.65957	2.1
72.99305	6.7
73.02953	11.4
75.00877	5.2
78.62957	1.2
81.03459	4.1
83.01382	6.4
83.05029	1.4
85.02955	20.5
87.00881	8.1
87.04541	1.6
88.98794	1.4
89.02454	78.8
93.03475	3.8
95.01385	7.0
96.96035	1.5
97.02968	8.1
99.00888	6.3
99.04543	2.2
101.02456	50.2
102.02750	1.5
108.02188	1.4
109.02940	2.1
111.00874	5.6
112.63509	1.3
113.02461	31.6
115.00323	1.4
117.03471	3.1
119.03522	38.5
119.04959	6.7
121.02969	2.5
123.04548	2.0
125.02459	34.8
129.01945	3.1
129.05533	1.4
131.03535	7.8
137.02454	3.9
139.03992	1.7
139.72231	1.2
141.01949	1.3
143.03503	11.0
145.02959	11.3
145.05025	1.7
147.04533	1.6
148.04115	1.8
148.05319	37.6
149.02490	1.3
149.04544	3.6
149.05658	2.7
151.00316	2.6
155.10704	1.7
159.03064	1.9
160.01564	1.6
161.02425	3.7
161.04578	14.3
161.05922	2.5
162.03113	1.9
163.03996	5.3
163.06361	2.1
163.07655	11.2
164.08047	1.6
165.01866	2.7
167.03442	3.6
173.04602	3.4
175.04001	2.0
177.04054	3.2
177.05534	2.4
177.09204	2.2
179.05626	23.9
179.10736	3.9
187.11360	1.7
191.05565	2.3
192.99748	2.2
195.05000	2.3
211.07677	2.0
219.02994	1.4
221.06596	23.3
221.08409	1.9
221.10081	1.3
223.09824	2.0
245.06496	2.8
263.07755	9.6
292.13571	1.7
307.08246	3.4
309.11795	3.6
322.84015	1.3
323.09836	57.2
323.13632	3.1
324.10178	4.3
367.11780	3.1
369.15790	1.4
385.14563	1.6
410.44107	1.3
473.16302	1.8
485.16620	5.6
510.74646	1.6
526.44336	1.5
547.13281	8.7
547.20587	6.7
547.28094	12.9
548.28394	2.5
554.11969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
57.03447	4.1
58.00583	1.1
59.01377	30.0
61.98832	3.8
67.01873	0.6
71.01384	37.3
71.26563	0.8
71.26898	1.0
72.01739	0.6
72.99310	7.4
73.02955	3.6
75.00467	1.1
75.00874	15.1
76.34687	0.6
78.91901	0.9
78.95928	1.3
83.01373	1.6
85.02955	30.9
87.00880	11.0
88.98772	0.8
89.02450	12.8
91.05520	0.9
93.03441	1.4
95.01398	4.7
96.96010	2.9
96.96976	2.7
99.00883	9.0
101.02455	11.1
103.00389	2.3
108.02180	0.8
109.02938	0.8
111.00894	1.2
113.02461	36.5
114.02788	0.9
115.00375	2.1
116.92854	2.5
117.01946	2.2
117.03481	1.8
119.03528	3.7
119.06822	0.6
121.02962	1.6
125.02520	0.9
129.01944	1.8
131.03520	1.8
133.02963	3.6
135.04512	1.7
141.01913	0.7
149.02432	1.3
149.04570	0.8
151.04028	0.9
152.01173	1.1
152.04832	0.9
157.01477	1.4
161.02448	12.2
161.04550	2.3
161.05904	0.6
162.02824	5.2
163.02972	2.2
163.04161	1.1
164.04758	1.6
173.04510	2.7
173.05852	0.7
175.00430	0.7
175.02463	2.2
175.03876	0.7
179.05623	1.8
179.07115	0.7
179.12036	0.6
190.02751	1.3
191.05672	1.7
193.03528	0.8
205.05092	2.0
205.07164	2.3
206.88303	0.6
208.03731	1.7
221.06567	0.8
223.06175	5.3
223.08160	1.1
253.09256	0.7
255.10210	0.7
258.06134	0.8
267.08722	1.2
325.12863	2.3
345.08923	1.7
362.30701	0.6
367.12411	1.0
369.10446	1.5
411.11240	4.8
429.12494	63.0
430.12857	5.6
457.11426	0.9
503.13986	1.0
515.13037	1.1
547.16577	100.0
548.16901	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	547.1663
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
57.03427	0.6
59.01106	0.5
59.01377	5.6
61.98831	5.7
71.01387	8.0
71.56376	1.0
72.99303	2.1
73.02951	5.6
75.00877	2.8
78.83295	0.5
78.95903	3.7
80.59573	0.4
83.01402	2.7
85.02958	5.7
87.00880	7.4
88.98792	2.6
89.02454	1.9
93.03481	1.1
96.96013	4.9
96.96963	7.0
99.00897	1.3
101.02465	4.5
103.00380	0.6
109.03002	0.5
111.00903	0.7
113.02475	2.2
113.99623	3.0
115.00385	15.1
116.00808	0.6
116.92850	0.9
119.05041	2.5
121.02962	4.3
123.04535	0.7
125.02449	1.9
127.00378	1.0
133.02950	1.0
133.06630	0.6
135.04567	0.9
137.02473	2.5
138.03188	0.9
139.03836	0.5
145.02995	1.6
149.02480	2.7
151.04025	1.1
153.05554	1.6
161.02487	2.9
161.04587	0.8
161.06064	1.6
162.02869	0.7
163.04065	4.2
164.04802	3.8
165.01900	0.5
165.05531	0.5
174.01706	22.5
175.02486	12.0
179.03513	0.8
179.07161	1.2
181.05086	2.1
182.07007	0.6
191.05647	1.3
191.07220	0.5
192.99622	0.7
193.01315	1.1
193.05034	0.8
195.06720	0.6
199.91008	0.5
205.05075	3.7
206.05516	0.6
208.03778	2.0
209.08162	1.2
210.08820	1.1
223.06097	8.5
224.06587	0.7
235.06126	1.1
238.08667	0.6
239.09259	1.7
251.09326	1.1
265.07159	2.4
267.08789	3.3
295.08051	2.6
301.10892	1.2
309.11844	0.5
325.09302	4.5
332.27353	0.5
349.13095	0.8
367.10284	0.7
385.11505	1.8
388.87659	0.6
427.13113	0.5
429.12918	1.4
457.12219	1.0
487.14630	4.7
488.14740	0.9
547.16595	100.0
548.16931	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	547.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
57.03444	1.3
57.21544	0.5
59.01382	5.1
61.98824	2.8
65.23970	0.4
68.99803	2.3
69.03447	0.9
69.24970	0.9
69.25373	4.4
71.01383	5.0
72.99308	0.9
73.02940	2.3
75.00871	1.3
83.01407	2.4
85.02955	6.0
87.00880	2.6
89.02431	1.1
95.01397	1.3
97.02976	1.2
99.00891	5.8
101.02438	2.3
108.59497	0.5
109.02913	0.6
111.00868	1.6
112.98811	0.6
113.01731	0.5
113.02463	5.2
113.99593	13.1
115.00389	7.5
119.05047	1.1
125.02454	1.0
127.00400	4.1
129.01984	2.2
133.02965	3.3
135.04555	2.3
137.02431	1.3
139.00397	1.3
141.01949	0.5
145.02965	1.8
150.03282	0.6
153.84149	0.5
155.10742	1.0
156.00671	0.9
157.01430	6.2
161.02446	11.8
161.04512	0.8
162.02780	0.8
163.03996	0.7
165.01862	0.7
165.12865	4.7
169.01431	1.5
174.01701	11.6
175.02412	1.6
177.01964	1.0
177.05566	0.7
179.03510	2.0
179.10715	0.5
183.13911	13.2
184.14247	0.9
189.01903	0.7
199.09909	0.5
205.04985	0.6
221.04416	0.5
227.12868	3.0
230.36456	0.6
251.05367	0.7
277.05624	12.1
278.06039	1.1
281.06711	0.8
287.05551	0.5
319.06781	0.6
337.07758	11.0
338.07999	1.1
385.22260	0.9
487.17969	4.8
488.18738	1.0
503.19598	0.9
529.20422	3.9
547.20233	100.0
547.26532	3.8
548.20581	19.3
548.28925	1.1
557.61176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31487	0.5
59.01377	4.3
61.98818	3.2
70.28197	0.6
70.87611	0.9
70.87926	0.9
71.01376	2.4
73.02961	0.9
78.95908	2.1
83.92561	0.5
85.02940	1.3
87.00875	1.1
88.98798	1.0
92.41123	0.5
93.03430	0.9
96.96001	2.2
96.96964	2.9
97.02962	0.5
101.02446	0.9
113.02460	1.0
115.00403	0.7
116.92883	1.1
117.03457	1.3
119.05032	78.7
120.05385	3.9
121.02975	2.1
125.02457	0.6
134.03775	0.8
135.04468	0.6
137.02415	1.1
141.01715	1.2
145.02985	5.4
149.63922	0.5
161.02419	0.7
161.06020	0.9
163.04015	100.0
164.04346	5.9
174.01747	0.7
175.02536	0.6
181.05080	1.0
196.42950	0.5
205.05130	1.0
254.08684	0.7
265.06973	0.6
286.08350	0.6
301.10760	0.9
325.09274	45.0
326.09485	4.7
349.13004	1.0
427.12012	0.8
547.16510	6.6
548.17065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
59.01379	23.0
61.98830	5.3
70.41069	2.2
71.01377	4.6
75.00879	0.6
78.95893	0.7
84.88891	0.6
84.92097	0.5
85.02953	2.5
85.74632	0.5
88.98807	1.6
89.02462	3.3
93.03468	1.0
96.96011	1.8
96.96954	1.1
98.20603	0.5
101.02458	2.5
113.02454	5.3
116.92873	0.6
117.03471	11.4
119.05040	33.4
120.05370	1.7
121.02978	9.8
129.42792	0.6
133.02931	1.0
133.06599	1.9
133.51468	0.6
137.99144	0.5
145.02965	100.0
146.03320	5.4
149.02461	0.7
158.38490	0.6
159.04553	1.2
161.02443	1.6
161.04727	1.1
161.06102	3.8
162.02972	0.8
163.04022	46.7
164.04346	2.6
177.05574	1.0
187.04016	4.0
189.01947	1.0
189.30923	0.6
191.05643	0.7
205.05058	8.4
206.05351	0.7
235.06079	1.7
265.07205	4.7
278.50076	0.7
303.08737	0.6
325.09265	61.8
326.09631	6.7
341.06549	1.1
409.11609	0.7
429.12524	1.1
547.16370	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	547.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23046	0.5
55.01876	0.7
57.03444	1.2
58.00577	0.5
59.01377	14.5
59.18729	0.5
60.99302	0.6
61.76884	0.5
61.98827	9.0
67.01896	0.5
69.03473	0.6
69.32566	4.7
70.95724	0.4
71.01382	21.8
72.01702	0.6
72.99322	2.2
73.02937	3.1
75.00883	1.6
83.01382	5.6
85.02956	3.7
87.00882	30.3
88.98819	1.6
89.02461	2.4
93.03492	0.7
96.96023	1.4
97.02951	0.6
97.92222	0.4
99.00901	1.5
101.02453	2.3
109.02982	0.8
111.00886	7.9
112.98828	1.0
113.02454	3.1
115.00386	58.7
116.00719	1.1
119.03532	1.2
119.05033	0.5
125.02496	1.4
127.00383	2.0
129.01981	0.8
137.02457	0.9
139.00392	15.5
145.02954	1.2
151.00372	0.6
157.01443	27.4
158.01788	1.2
161.02515	0.6
161.04643	1.2
164.93416	0.5
165.01936	0.5
168.00790	0.7
175.02490	100.0
176.02827	3.7
179.05629	0.8
185.11848	1.0
191.05629	0.7
204.06662	0.4
205.05083	0.6
248.09969	0.5
252.09012	0.6
266.06927	1.0
267.11258	1.3
275.02237	0.4
276.97321	0.4
279.07697	1.0
280.08493	1.9
284.13071	0.5
289.07190	0.7
290.07532	0.8
295.10895	6.3
297.12393	0.7
302.33658	0.4
309.12543	1.4
323.10092	0.7
325.11865	2.8
327.13510	4.7
336.08517	0.5
339.09851	1.4
343.12170	0.6
347.17004	0.7
353.11383	1.0
359.12866	0.5
371.07797	0.6
371.12457	10.0
371.16873	0.9
372.12656	1.4
385.13446	1.0
391.12918	1.7
397.10489	1.2
399.11972	1.3
401.13486	2.0
413.13678	0.6
429.13074	5.6
430.13562	0.6
431.14560	1.4
435.12027	1.3
443.14771	0.7
447.14175	0.5
457.15826	0.6
467.14651	6.4
468.14923	1.2
484.13202	1.0
485.15677	10.1
486.16306	2.4
486.77304	0.5
487.13712	3.5
488.13489	0.6
499.13492	0.5
511.13287	1.0
511.24384	0.7
529.14392	0.7
547.16266	3.3
548.15509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91577	0.3
55.01865	0.6
57.03441	1.1
58.00600	0.5
59.01377	14.8
60.01706	0.4
61.98829	4.9
67.01874	0.6
69.03462	0.4
71.01379	20.0
71.56535	0.3
71.56971	0.4
72.01717	0.6
72.99328	1.9
73.02958	1.8
75.00885	1.3
78.95928	0.5
79.85843	0.3
83.01387	4.8
83.24387	0.3
85.02961	3.4
87.00879	32.0
88.01202	0.5
88.98832	0.4
89.02465	2.4
93.03484	0.5
95.01380	0.5
96.96031	1.6
96.96974	0.8
99.00874	1.6
101.02450	2.1
109.02964	0.4
111.00888	7.8
112.98843	0.7
113.02473	3.7
115.00381	57.8
116.00734	1.5
117.03441	0.4
119.03528	0.9
119.05070	0.4
121.02959	0.8
122.06123	0.6
123.04510	0.3
125.02454	1.0
127.00353	1.7
129.01965	0.5
137.02411	1.1
139.00386	14.7
140.00638	0.4
145.02954	0.7
149.00706	0.4
149.99356	0.3
151.03992	0.6
154.94922	0.4
157.01433	30.0
158.01740	1.4
161.02419	0.6
161.04572	0.6
165.01959	0.5
174.01738	0.4
175.02483	100.0
176.02824	4.0
177.01933	0.4
177.03992	0.6
179.05635	1.1
183.10342	0.4
189.01907	0.5
191.05617	1.2
204.06729	0.4
205.05008	0.5
217.01529	0.4
251.08279	0.3
251.11858	0.4
252.10435	0.5
253.09962	0.6
265.06161	0.5
266.07022	0.4
267.07950	0.3
267.11313	0.9
279.07806	1.1
280.08380	2.4
281.09079	0.6
283.10812	0.5
284.12933	0.3
293.09280	0.5
295.10883	7.9
296.11169	1.0
297.12402	1.0
309.12460	0.9
310.79050	0.4
323.10226	0.9
325.11783	3.4
326.11783	0.4
327.13513	3.9
328.13953	0.5
335.10260	0.6
339.09760	3.3
340.09958	0.4
341.06656	1.0
351.09726	0.6
353.11359	1.4
355.13040	0.7
369.10782	0.6
371.12494	10.5
372.12881	1.1
385.13965	0.5
391.12872	1.6
397.10233	1.6
399.11932	1.6
400.12079	0.4
401.13632	1.7
429.13019	5.8
430.13333	0.9
431.14633	1.2
432.14471	0.4
435.11902	1.3
441.16626	0.3
443.14584	0.9
447.14011	0.8
453.12952	0.9
457.16376	0.7
467.14615	7.6
468.14951	0.8
485.15576	9.0
486.15973	1.8
487.13586	3.6
488.13678	0.5
499.13657	1.0
511.13528	1.5
529.14343	1.2
547.14819	3.2
547.27588	0.7
548.15643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23046	0.5
55.01876	0.7
57.03444	1.2
58.00577	0.5
59.01377	14.5
59.18729	0.5
60.99302	0.6
61.76884	0.5
61.98827	9.0
67.01896	0.5
69.03473	0.6
69.32566	4.7
70.95724	0.4
71.01382	21.8
72.01702	0.6
72.99322	2.2
73.02937	3.1
75.00883	1.6
83.01382	5.6
85.02956	3.7
87.00882	30.3
88.98819	1.6
89.02461	2.4
93.03492	0.7
96.96023	1.4
97.02951	0.6
97.92222	0.4
99.00901	1.5
101.02453	2.3
109.02982	0.8
111.00886	7.9
112.98828	1.0
113.02454	3.1
115.00386	58.7
116.00719	1.1
119.03532	1.2
119.05033	0.5
125.02496	1.4
127.00383	2.0
129.01981	0.8
137.02457	0.9
139.00392	15.5
145.02954	1.2
151.00372	0.6
157.01443	27.4
158.01788	1.2
161.02515	0.6
161.04643	1.2
164.93416	0.5
165.01936	0.5
168.00790	0.7
175.02490	100.0
176.02827	3.7
179.05629	0.8
185.11848	1.0
191.05629	0.7
204.06662	0.4
205.05083	0.6
248.09969	0.5
252.09012	0.6
266.06927	1.0
267.11258	1.3
275.02237	0.4
276.97321	0.4
279.07697	1.0
280.08493	1.9
284.13071	0.5
289.07190	0.7
290.07532	0.8
295.10895	6.3
297.12393	0.7
302.33658	0.4
309.12543	1.4
323.10092	0.7
325.11865	2.8
327.13510	4.7
336.08517	0.5
339.09851	1.4
343.12170	0.6
347.17004	0.7
353.11383	1.0
359.12866	0.5
371.07797	0.6
371.12457	10.0
371.16873	0.9
372.12656	1.4
385.13446	1.0
391.12918	1.7
397.10489	1.2
399.11972	1.3
401.13486	2.0
413.13678	0.6
429.13074	5.6
430.13562	0.6
431.14560	1.4
435.12027	1.3
443.14771	0.7
447.14175	0.5
457.15826	0.6
467.14651	6.4
468.14923	1.2
484.13202	1.0
485.15677	10.1
486.16306	2.4
486.77304	0.5
487.13712	3.5
488.13489	0.6
499.13492	0.5
511.13287	1.0
511.24384	0.7
529.14392	0.7
547.16266	3.3
548.15509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3476
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
50.28176	0.2
51.34095	0.2
57.03443	3.2
59.01375	16.6
60.01706	0.2
60.99308	1.1
61.98824	1.5
67.17530	0.2
69.03445	0.3
69.51527	1.8
73.02950	3.1
85.02939	0.4
102.49832	0.2
103.45590	0.2
114.96857	0.2
217.07549	0.2
341.28568	0.7
353.28506	0.6
363.26862	0.2
364.58594	0.2
379.30060	2.3
380.30438	0.5
385.31158	0.5
393.27988	0.3
395.29483	1.1
396.30258	0.2
397.31195	0.7
409.27109	0.3
411.28912	0.3
423.28809	0.8
424.29251	0.3
437.30432	0.4
439.32208	0.8
467.31631	6.4
468.31805	1.3
485.32687	50.3
486.33051	10.5
503.34149	0.3
545.34766	100.0
546.35107	23.8
573.68823	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03388	1.3
59.01319	19.7
59.01644	1.6
59.01787	0.8
60.01659	0.2
60.99245	1.2
61.98770	10.8
61.99125	0.8
69.03397	0.6
70.80236	0.6
71.01336	0.4
71.04967	0.7
71.13711	0.2
73.02952	6.6
73.03338	0.3
75.00816	0.8
77.30998	0.2
78.95878	0.4
83.04986	0.3
85.06529	0.2
87.04462	0.5
96.95990	0.2
98.57285	0.2
109.73579	0.2
115.92021	0.2
116.92840	0.2
152.99519	0.2
197.11807	0.4
214.98831	0.2
221.97026	0.2
253.09160	0.5
291.19550	0.5
297.22147	0.2
309.20834	1.1
325.25421	0.5
327.26892	0.5
339.27014	0.5
355.30042	0.4
365.28552	2.0
367.30139	0.4
377.28421	0.2
379.26291	0.4
381.27802	0.6
383.29584	0.3
393.31906	1.7
394.31735	0.2
400.21860	0.2
407.29718	0.3
409.27167	0.5
409.31314	0.5
411.32938	0.4
423.28766	0.5
437.30576	0.5
439.32043	0.8
467.31711	6.6
468.31848	1.1
483.31583	0.3
485.32736	47.6
486.33084	10.1
503.33621	0.4
545.34827	100.0
546.35181	23.3
564.93457	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3479
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
50.61232	0.2
57.03187	0.3
57.03441	3.3
59.01375	28.8
60.01678	0.4
60.99295	1.3
61.98827	13.4
68.99829	0.3
69.03453	1.3
69.50371	0.3
70.54294	0.3
70.76183	0.6
70.76569	0.5
71.01379	2.5
71.05008	0.5
72.99288	0.5
73.02952	4.2
75.00858	0.3
77.10679	0.2
83.01357	0.3
83.05001	0.7
85.02936	0.7
87.00842	0.3
89.02435	1.5
93.03426	1.2
95.05030	2.2
96.96935	0.3
97.02915	0.8
97.06569	0.3
98.03719	0.9
99.00853	0.4
99.04485	0.4
101.02438	2.2
109.06594	0.3
111.08150	0.7
113.02435	1.0
113.06081	0.7
115.07640	0.7
119.03488	0.6
119.05006	0.3
125.02486	0.4
128.08096	0.3
131.03528	0.3
137.02444	0.4
142.30243	0.3
145.02953	0.4
151.00336	0.7
161.02579	0.3
161.04565	0.7
165.12854	0.6
171.10239	0.6
173.04524	1.2
183.13928	0.3
191.05678	1.4
197.11836	0.8
203.77669	0.3
209.11806	0.7
211.13528	0.4
215.07109	0.9
215.10687	0.6
227.12839	0.6
247.20657	0.6
253.09238	3.6
271.06113	0.5
273.18674	0.2
285.04031	0.3
291.19647	5.0
292.20010	0.6
299.23633	0.3
309.20712	10.8
310.20978	1.2
311.23737	0.3
327.26907	0.3
335.23691	0.4
337.25363	1.0
353.24835	0.6
365.28525	0.8
367.30273	0.6
383.11322	0.4
393.10550	0.3
405.31613	1.0
409.27301	0.4
421.31067	0.5
437.30469	0.3
439.32385	0.5
449.31003	0.3
459.30942	0.5
467.31769	6.2
468.32288	1.3
485.32785	49.0
486.33167	10.8
503.33917	0.4
545.34888	100.0
546.35254	24.6
546.44281	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57110	0.4
57.03459	0.7
59.01380	72.5
60.01716	0.8
61.98819	2.3
69.31162	0.4
71.20309	0.8
72.71374	0.3
73.02946	2.0
75.00912	0.4
91.77990	0.4
100.37283	0.3
101.02473	1.3
110.30788	0.4
118.63054	0.4
247.13400	0.9
301.18124	2.3
302.18472	0.5
315.20016	0.4
327.19733	2.1
328.19772	0.6
341.21259	1.5
342.21591	0.5
361.20258	1.5
369.24347	2.6
383.25845	0.7
384.26309	0.5
385.27359	5.4
386.27734	1.0
387.21747	0.8
401.22906	0.6
413.27148	0.8
429.26617	1.2
453.29944	1.9
454.30386	0.6
467.31604	3.4
468.32065	0.7
469.33325	0.6
471.34390	0.4
485.32751	11.3
486.33112	2.5
513.32343	2.2
514.32239	0.6
527.33997	1.7
545.34784	100.0
546.35150	22.4
546.43909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3474
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
52.38139	0.3
54.07721	0.4
55.55439	0.3
57.03444	0.8
59.01374	100.0
60.01717	1.2
60.75895	0.3
60.99314	0.4
61.98831	1.0
69.31203	3.8
71.05031	2.2
73.02937	3.2
87.04528	0.7
97.20312	0.3
97.66163	0.3
121.53517	0.4
252.55849	0.3
278.20547	0.4
325.25284	0.4
327.26923	0.9
339.26917	0.8
351.26840	0.4
365.28436	2.2
366.28677	0.6
381.28033	0.5
383.29459	0.4
409.27466	0.6
439.32559	0.4
467.31638	4.1
468.32339	0.6
485.32742	40.1
486.33081	8.1
486.39658	0.6
545.34827	67.6
546.35211	15.6
558.20221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01888	0.3
57.03345	1.6
57.03658	0.5
59.01274	14.9
59.01612	3.6
59.04352	0.3
60.99212	0.6
60.99481	0.3
61.98726	0.8
69.03397	0.4
70.91069	0.6
71.01318	0.4
71.04906	5.8
71.05347	0.8
73.02839	3.6
73.03293	0.5
83.04959	0.3
83.12736	0.2
87.02058	0.3
194.52890	0.3
313.25330	0.5
333.90607	0.3
351.26810	1.0
365.28482	0.9
367.26184	0.7
369.28003	0.3
409.27109	0.4
437.30338	0.4
439.32141	0.7
467.31738	6.6
468.31760	1.6
485.32730	43.7
485.89438	0.3
486.33029	9.7
503.33643	0.3
545.34857	100.0
546.35211	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	545.3476
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01378	21.0
60.99311	0.6
73.02984	1.7
83.05069	1.1
89.19221	0.4
98.19879	0.9
133.89496	0.5
202.66170	0.4
301.18213	1.8
327.19672	3.1
341.21152	0.7
351.23355	0.5
361.20218	1.3
369.24255	2.3
387.21652	2.1
391.30078	2.8
392.30698	0.4
401.23444	0.5
407.29645	1.0
425.27258	0.8
427.28229	0.5
429.26633	0.6
432.36902	0.4
435.28946	4.5
435.34317	0.6
436.29330	1.3
443.27939	0.4
451.32245	1.6
452.32993	0.5
453.30099	52.2
454.30386	10.7
471.30832	0.4
485.32773	9.7
486.32999	1.4
511.34360	1.5
513.32184	24.9
514.32556	4.5
528.34906	0.8
545.34753	100.0
546.35120	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	545.3476
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
55.01858	0.6
57.03448	2.5
59.01377	17.6
60.39395	0.2
60.99304	1.3
61.98815	1.1
69.03441	0.6
71.05024	4.5
71.37717	0.6
73.02950	4.2
120.88260	0.3
202.83650	0.3
212.57239	0.3
245.01767	0.3
256.05673	0.3
319.85352	0.3
351.27048	0.4
355.30353	0.4
365.28525	0.5
367.26166	0.4
367.30319	0.6
381.27673	0.3
385.30807	0.3
393.31610	0.7
405.31720	0.4
409.06931	0.4
409.27252	0.6
410.08221	0.4
411.08572	1.6
421.07013	0.7
422.07779	0.3
437.30603	0.7
439.32065	0.7
454.10406	0.4
455.11078	1.4
456.12112	0.4
465.09274	0.6
466.10681	0.7
467.31583	7.1
468.32083	1.4
470.10773	0.3
473.12592	0.5
483.10721	0.6
484.11548	0.5
485.32700	50.0
486.33005	10.5
509.12439	0.9
527.13422	4.0
528.13867	0.9
532.85303	0.3
545.14630	20.3
545.34778	100.0
546.15027	4.9
546.35126	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	545.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.0
57.28256	0.4
59.01379	29.4
60.99308	1.5
61.98830	11.0
69.03462	2.7
69.36449	3.7
71.01383	1.4
71.05027	3.1
72.99307	1.2
73.02951	5.2
75.00865	1.3
75.58571	0.4
83.05032	1.1
83.12604	0.4
85.02975	1.2
85.06596	1.0
93.03455	1.1
97.06599	3.8
99.04568	0.7
109.02948	0.4
111.04488	0.5
113.02455	1.0
125.09726	0.6
173.04590	1.4
187.09773	0.5
191.05571	3.2
197.24011	0.6
201.96257	0.5
227.03378	0.6
272.09763	0.5
283.13364	1.4
289.57947	0.4
291.19656	0.6
298.33548	0.5
308.20996	0.4
309.20856	0.7
311.23969	0.6
351.23019	0.6
353.28763	0.5
369.24094	0.8
379.30276	2.4
385.27649	0.7
395.29721	1.3
397.26999	1.1
405.28110	0.7
408.71054	0.6
411.25049	0.5
423.29016	5.0
424.29428	0.7
439.28500	1.9
441.30188	4.3
442.30432	0.6
457.29172	0.6
467.26953	2.5
485.28256	40.5
486.28571	9.0
545.30597	100.0
546.30969	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	545.3476
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
53.55191	0.3
57.03446	0.5
57.32081	0.2
59.01376	43.0
60.01727	0.4
61.98840	0.3
69.57279	2.0
73.02955	2.2
101.02464	0.6
104.33836	0.3
139.22913	0.3
144.69766	0.2
247.13353	0.4
255.17583	0.6
283.17285	0.7
287.16522	0.4
301.18085	13.7
302.18344	1.6
315.19669	2.0
319.19165	0.8
327.19687	1.2
328.19882	0.4
341.21228	3.6
342.21738	0.5
347.18655	0.4
361.20190	11.8
362.20499	1.5
365.25003	0.7
369.24319	2.7
370.24771	0.7
371.25891	0.4
375.21561	0.5
376.21988	0.3
383.25931	7.4
384.26321	0.9
387.21832	1.0
397.27490	0.4
399.28995	2.2
400.29388	0.4
401.23328	4.0
402.23462	0.4
406.20944	0.3
416.86740	0.3
427.28589	1.1
427.55768	0.3
429.26398	2.1
443.28104	5.0
444.28284	0.9
458.30905	0.3
467.31769	1.3
485.32697	10.2
486.32983	2.4
487.30441	0.5
490.29721	0.7
511.33710	0.3
527.13464	0.4
527.33972	0.4
545.34747	100.0
546.35083	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	545.3119
Annotation	Westiellamide
Peak:m/z	Relative Intensity
50.15517	0.3
52.64447	0.3
55.01872	1.2
57.03451	2.9
58.00575	0.5
59.01378	26.3
60.01714	0.5
60.99300	0.7
61.04116	0.3
61.98832	6.7
63.61545	0.2
69.03454	3.3
69.24731	0.3
71.01385	18.2
71.05025	3.8
71.54141	0.6
72.01699	0.3
72.99313	0.9
73.02949	7.6
75.00869	0.9
81.03456	0.5
83.01392	2.3
85.02958	7.5
87.00879	0.8
88.98825	0.3
89.02445	4.7
95.01417	1.3
96.95992	0.3
97.02949	1.0
97.06599	3.3
99.00897	1.9
99.04524	0.4
101.02454	13.2
102.02767	0.4
111.00914	0.3
113.02458	8.2
115.03986	0.5
117.01982	0.3
117.03470	1.1
119.03526	2.1
119.05046	1.2
125.02419	1.0
125.09715	0.3
131.03571	0.5
143.03490	1.3
145.02985	4.5
151.00374	0.9
159.03017	1.5
161.04582	9.2
162.04887	0.6
163.04033	0.5
179.05583	1.4
191.05630	1.5
205.03583	0.4
221.06688	0.6
271.06070	1.9
285.04337	0.4
325.21576	0.5
341.28430	0.6
343.22766	0.4
353.28558	0.4
365.24667	0.3
369.24365	0.7
379.26013	0.5
379.30258	1.9
380.30615	0.5
383.24451	3.2
384.24823	0.5
385.27576	0.5
395.29355	0.9
397.27448	1.0
405.27634	0.4
411.25400	0.9
423.29190	4.5
424.29434	0.5
425.26822	0.4
437.26764	0.3
439.28485	1.8
441.30157	4.2
442.30466	0.7
444.37891	0.3
467.27545	3.1
468.28165	0.3
485.28650	42.6
486.28906	8.0
545.30829	100.0
546.31073	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03441	1.3
58.00230	0.4
59.01371	2.5
61.98826	3.9
68.99800	2.2
69.03449	1.2
69.25780	3.5
71.01382	3.1
72.13843	0.4
72.99294	0.7
73.02951	1.6
75.00865	0.9
83.01398	2.3
85.02969	4.3
87.00882	2.9
88.98798	0.6
89.02449	1.0
93.03437	0.5
95.01392	1.2
95.05070	0.6
97.02977	1.2
98.20633	0.6
99.00892	5.3
101.02462	2.3
101.03011	0.4
108.37519	0.4
109.02946	0.9
111.00874	1.9
112.98845	0.9
113.02468	4.0
113.03181	0.6
113.99597	15.3
115.00399	6.8
118.38998	0.4
119.05035	0.5
125.02470	2.1
127.00384	4.2
129.01956	2.0
137.02423	0.5
139.00423	1.0
141.01968	0.6
145.02962	0.8
146.22459	0.4
156.00667	1.3
157.01439	4.5
161.02467	0.9
161.04582	0.4
163.11249	1.1
169.01414	1.4
174.01700	10.8
175.02539	2.4
175.03909	0.6
181.12358	5.5
182.12654	0.4
191.05705	0.4
207.10191	0.6
223.13516	0.5
225.11330	5.9
226.11598	0.6
249.33499	0.4
255.03113	0.4
259.04626	0.6
277.05627	0.7
284.03241	0.8
285.03879	1.4
297.40338	0.3
365.10123	0.7
383.11240	0.5
447.09277	1.3
485.16583	7.0
486.16861	0.5
501.28586	0.6
527.17572	1.5
540.99573	0.5
545.18677	100.0
546.10895	0.8
546.19073	16.1
546.27405	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01373	2.5
61.98831	4.7
65.00319	1.7
65.03970	0.4
70.71967	0.5
71.01387	2.0
72.99308	0.7
73.02943	0.7
81.03471	0.7
83.01373	1.3
85.02972	1.3
87.00896	0.7
88.98820	1.0
89.02450	1.4
91.73718	0.2
93.03467	50.6
94.03810	1.8
95.05032	0.3
97.02959	0.4
99.00862	0.3
101.02452	1.4
107.01411	2.1
109.02966	0.3
111.81871	0.2
113.02438	1.1
115.00378	0.3
116.54896	0.2
116.92863	0.3
117.03425	0.3
119.03542	0.4
119.05058	0.4
121.02964	0.3
123.04540	4.3
125.02467	5.1
131.03464	0.3
137.02460	100.0
138.02792	3.9
145.02940	0.8
149.02458	0.5
151.00378	8.8
151.03992	0.3
152.00694	0.4
155.10809	0.3
161.02519	0.5
161.04587	0.6
165.01852	0.5
165.16800	0.2
167.03503	9.6
168.03854	0.4
169.01370	0.3
172.05305	0.5
173.06058	0.3
175.00424	1.4
175.02463	0.4
175.03972	0.2
177.01988	0.2
177.04105	0.2
179.03683	0.3
179.05650	0.8
179.10809	0.5
187.07664	5.1
188.08078	0.4
189.02003	0.2
191.03537	1.6
191.05524	0.2
193.01387	0.4
200.04739	0.3
201.05524	0.4
202.06339	1.4
203.10829	0.2
205.01604	0.3
209.04576	0.5
210.05029	0.2
211.07697	0.3
213.09317	0.9
215.07143	4.4
216.07570	0.5
221.04692	0.3
221.06638	0.6
221.15639	0.3
225.11462	0.3
231.10280	1.1
287.05524	0.3
329.09055	0.4
329.35785	0.2
339.08755	2.6
365.10303	2.9
366.10608	0.4
369.06155	0.3
383.11319	9.3
383.20618	1.3
384.11862	1.0
389.10474	0.5
407.11209	0.5
501.13956	2.1
502.14755	0.3
509.20618	0.3
527.15814	0.4
545.18945	5.9
545.26654	0.8
546.18817	1.0
546.26520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52776	0.3
57.03437	0.8
59.01373	3.2
61.98527	0.3
61.98830	5.3
63.02395	0.4
65.00327	2.0
65.03957	0.3
67.92294	0.2
70.88192	0.8
70.88557	0.3
71.01373	2.5
72.99312	1.9
73.02953	0.4
75.00859	0.4
81.03457	0.9
83.01379	1.5
85.02411	0.2
85.02949	1.0
87.00868	0.6
88.98809	2.1
89.02439	1.4
91.00349	0.5
93.03462	51.1
94.03807	2.0
95.01397	0.4
95.05025	0.3
97.02991	0.3
99.00894	0.3
99.04572	0.5
101.02473	1.1
107.01402	2.9
109.02988	0.3
113.02474	0.7
119.03545	0.5
119.05061	0.3
123.04535	5.2
124.01675	0.4
124.04850	0.3
125.02458	6.3
126.02788	0.5
135.04538	0.6
137.02455	100.0
138.02792	5.0
145.02986	0.5
149.02394	0.5
151.00381	13.1
151.04030	0.6
152.00739	0.5
155.54729	0.2
161.02393	0.8
161.04533	0.6
161.05844	0.3
163.03951	0.3
165.01883	0.5
167.03506	14.2
168.03876	0.4
172.05304	0.9
173.04509	0.4
173.05974	0.4
175.00357	2.2
177.02054	0.3
177.03998	0.4
179.03600	0.2
179.05646	0.7
181.05139	0.3
181.12440	0.3
187.04059	0.4
187.07639	8.1
188.08011	0.8
191.03516	2.2
191.05397	0.4
193.01390	0.3
200.04773	0.8
201.05586	0.9
202.06317	2.2
206.14774	0.2
209.04558	0.8
213.09184	1.2
215.07114	7.0
216.07620	0.7
221.04547	0.5
221.15358	0.4
229.08745	0.3
231.10234	2.0
257.08185	0.7
309.04013	0.5
313.05560	0.5
324.75421	0.3
329.08823	0.5
337.11191	0.3
339.08704	3.4
339.12433	0.3
340.09073	0.4
364.09174	0.3
365.10300	4.0
366.10611	0.7
383.11325	13.2
383.21048	0.8
384.11584	2.1
389.10510	0.7
403.24286	0.3
407.11514	0.5
413.21707	0.2
501.14084	3.1
502.14426	0.4
509.20602	0.3
527.15820	0.4
545.18585	6.3
545.26129	0.5
546.19000	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.7
57.03706	0.3
59.01379	3.5
60.99298	0.8
61.98833	6.0
63.02395	0.5
65.00322	5.0
65.03957	0.8
71.01379	2.4
72.16782	0.3
72.99310	4.4
73.02950	0.9
75.00874	0.7
77.51990	0.3
78.50426	0.4
81.03463	2.4
82.87646	0.3
83.01394	4.3
83.05022	0.4
85.02966	1.2
87.00867	0.7
88.98811	5.0
89.02465	2.2
89.99143	0.4
90.99239	1.0
91.00384	0.6
93.03468	52.3
94.03813	1.7
95.05013	0.7
99.00861	0.4
101.02434	1.6
107.01406	8.3
109.00884	0.3
109.02932	0.8
109.33143	0.3
113.02457	1.0
119.03528	0.8
119.05066	0.5
121.02957	0.9
123.04544	14.4
124.01632	0.4
124.04874	0.7
125.02465	15.5
126.02782	0.5
127.03833	0.4
131.01411	0.8
131.03539	0.5
134.03682	0.3
135.00896	0.3
135.04517	0.8
137.02463	100.0
138.02792	4.3
139.03998	0.6
142.47493	0.3
145.03008	1.1
149.02458	0.8
151.00391	34.2
151.03928	1.7
151.07671	0.5
152.00760	1.5
153.01994	0.7
155.66254	0.3
159.04506	0.8
161.02499	0.8
161.04623	0.6
161.53075	0.3
162.06142	0.4
163.04025	0.8
165.01930	0.8
167.03519	33.4
168.03848	1.3
169.01392	1.0
172.05283	2.8
173.04681	0.6
173.06093	1.1
175.00380	5.0
175.03954	0.4
176.00862	0.4
176.04848	0.6
179.03514	0.7
179.05661	0.5
181.05045	0.5
183.04564	0.4
186.03258	0.5
187.04053	1.2
187.07655	21.4
188.08067	1.3
191.03510	5.2
191.05420	0.7
193.01457	1.0
200.04742	1.7
201.01932	0.3
201.05676	2.0
202.06351	5.4
203.07008	0.4
205.01390	0.4
209.04582	2.0
211.07568	0.4
213.09235	3.1
215.07132	18.5
216.07619	1.5
221.04607	1.0
221.15512	0.5
227.03549	0.5
231.10213	4.1
232.03755	0.7
237.23387	0.4
257.08298	0.8
285.03983	0.7
309.04047	1.5
310.04703	0.4
313.05722	1.1
329.08850	1.6
337.11020	0.8
339.08740	9.5
339.12381	0.6
340.09210	1.1
363.08792	0.6
365.10324	9.6
366.10580	1.0
369.06314	0.4
383.11374	31.4
383.20776	1.3
384.11652	3.9
389.10547	1.6
407.11597	1.1
413.08685	0.5
472.10156	0.5
501.14038	9.3
502.14511	1.1
514.62061	0.3
527.15967	1.1
545.18195	8.2
545.26355	0.5
546.18298	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01377	12.2
61.98830	44.7
69.03448	1.5
69.66572	4.5
69.66994	2.0
71.01380	10.9
72.52538	0.8
72.99310	1.7
73.02970	1.8
75.00888	1.4
75.98874	0.9
78.95909	2.0
80.91695	2.2
83.01406	3.7
85.02959	9.7
87.00880	5.8
88.98796	1.3
89.02457	3.2
93.03465	8.8
95.01411	3.2
96.96017	4.7
96.96966	2.3
97.02969	1.2
99.00892	7.2
101.02474	3.5
108.02137	1.1
109.02958	1.4
111.00884	3.1
113.02469	5.3
115.00391	1.0
116.92866	1.1
117.03477	3.9
119.05046	4.7
125.02455	1.3
127.04054	2.1
129.01990	1.8
130.04265	1.1
131.05051	3.4
132.02246	1.2
132.05864	4.4
133.02985	14.9
133.06631	7.0
135.04549	2.9
137.02457	4.4
138.05602	1.5
139.00391	2.1
143.05049	2.1
145.03012	2.6
145.04947	0.9
145.06607	7.1
147.04538	16.5
149.06094	1.4
157.01442	1.1
157.06618	3.9
159.04562	2.4
160.05350	2.5
161.02466	63.3
161.06065	4.8
162.02795	3.4
163.04071	1.4
163.07658	1.6
169.06599	3.6
171.04543	1.8
172.05267	0.9
173.04733	1.6
173.06073	9.1
175.02577	1.7
175.03922	4.4
175.07681	3.5
177.05563	4.2
179.03450	4.4
187.07672	16.5
188.08049	1.8
189.05571	16.8
190.05899	0.9
191.02086	1.4
191.05580	2.2
191.07191	5.1
193.05064	1.6
199.02513	1.6
201.05588	20.8
202.05995	1.4
203.03526	3.2
205.05084	7.2
217.03453	2.0
219.06636	10.7
221.04538	9.9
235.05971	1.3
243.06653	1.0
261.03809	1.0
261.07654	1.9
263.05585	18.4
264.05991	1.4
279.08685	4.1
323.07706	100.0
324.08035	10.9
341.10950	2.0
365.09253	1.3
383.09839	1.5
463.14410	2.4
485.12491	5.1
493.12012	1.3
545.14783	14.6
545.22137	1.2
546.15570	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.7
59.01383	7.3
61.91522	0.5
61.98830	20.1
63.02393	1.3
65.00327	15.8
67.57751	0.5
69.03494	0.7
70.11605	0.5
71.01392	4.5
73.02954	1.4
75.00872	1.3
81.03459	6.4
83.01395	11.8
84.34191	0.6
85.02963	2.2
89.02451	2.1
93.03454	4.4
95.01418	1.0
95.05054	1.2
97.02972	1.5
99.00922	0.6
101.02457	1.7
107.01405	23.6
108.02282	0.6
109.02975	2.7
113.02449	1.6
119.03521	0.9
119.05032	1.1
121.02974	1.5
122.03711	0.8
123.00873	0.8
123.04540	40.3
124.04862	1.8
125.02464	44.3
126.02809	1.6
126.90376	1.2
131.01381	3.0
133.02988	0.6
134.03743	0.7
135.00938	0.8
135.04514	1.5
137.02469	5.5
145.02971	2.3
147.04579	0.7
149.02473	2.8
151.00391	97.2
151.03966	3.3
151.07686	0.7
152.00710	3.9
153.01965	1.5
155.10797	1.4
158.03734	0.7
159.04536	2.4
161.02467	1.6
163.04042	2.5
164.01137	0.8
165.01993	2.7
165.05611	0.6
165.86890	0.7
166.02698	0.9
167.03516	100.0
168.03853	3.8
169.01414	2.0
172.05305	6.5
173.04559	1.8
173.06050	3.4
175.00383	16.0
175.07631	1.0
176.00699	0.8
176.04910	0.7
177.01936	1.4
179.03502	1.9
181.05092	1.6
182.53830	0.6
183.04491	1.2
184.05312	1.0
186.03186	0.9
187.04091	3.7
187.07657	61.6
188.08017	4.2
191.03539	14.9
191.05367	1.0
192.03833	1.2
193.01460	2.8
197.06071	0.7
200.04790	5.3
201.05617	6.4
202.06369	16.0
203.03607	0.7
203.06943	1.4
203.10802	0.7
204.04330	1.8
205.01416	1.9
205.05002	0.8
205.08658	1.1
209.04523	6.5
211.07710	1.7
213.09216	10.6
214.09612	1.1
215.07133	52.6
216.07506	5.5
217.01393	1.1
221.04535	2.1
227.03555	0.7
229.08707	1.2
231.10236	12.1
232.03799	2.8
232.10617	1.3
233.04562	1.2
239.07167	0.9
253.08623	0.7
255.06757	1.2
255.10156	0.7
257.08160	3.1
271.06104	1.0
279.10193	0.6
284.03262	1.0
285.04028	1.5
295.09836	1.2
307.06079	0.7
309.04028	3.4
309.07083	0.8
310.04495	1.1
313.05618	3.1
313.11255	1.1
321.11438	0.7
329.08801	5.0
337.07217	0.9
337.10742	1.8
338.07843	0.7
339.08752	26.1
339.12250	1.3
340.09091	3.0
363.08853	1.8
364.09665	0.7
365.10300	32.3
366.10638	3.9
381.09763	1.0
383.11362	91.7
384.11685	11.8
389.10406	5.6
407.11469	3.0
468.64536	0.9
472.10471	0.8
501.14029	23.2
502.14413	2.6
527.15497	5.6
528.16101	0.8
545.16388	11.9
545.25287	2.2
546.17200	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
56.99812	0.6
57.03448	5.6
58.00588	0.5
59.01376	9.4
60.99284	0.4
61.98830	6.1
67.01912	0.7
68.04519	0.4
68.99811	2.1
71.01386	18.6
72.01706	0.6
72.99309	3.3
73.02954	2.7
73.03285	0.4
74.72167	0.4
75.00876	1.1
75.13897	0.4
78.95893	3.1
80.99844	0.4
83.01392	6.2
84.99348	0.7
85.02959	7.8
87.00880	6.8
88.04047	4.2
88.98836	0.8
89.02454	3.2
89.04364	0.5
93.37450	0.4
95.01390	2.4
96.96035	3.9
96.96967	5.4
98.20630	1.0
99.00890	32.4
100.01190	0.7
101.02460	3.9
109.02976	0.5
111.00898	13.6
112.98823	93.1
113.02444	1.5
113.99134	2.4
115.00380	5.0
116.92871	1.1
117.03459	0.5
119.03516	1.2
119.05051	0.6
121.02983	0.7
123.00893	7.1
124.01670	1.7
124.98797	1.9
127.00391	1.5
127.07655	0.7
129.01939	7.7
129.05624	0.5
130.08731	0.5
132.02158	0.8
133.02028	0.8
133.02969	11.0
135.04541	3.5
138.03224	5.0
140.98325	0.5
142.99878	27.7
144.00185	0.5
145.01451	7.5
145.02724	0.6
146.08215	2.0
147.02977	2.0
147.04520	1.5
149.02481	1.9
151.04004	0.6
153.05566	4.7
154.05803	0.5
159.03276	0.5
159.04538	0.9
160.01678	0.5
160.04071	0.6
161.02460	49.8
162.02797	2.7
163.04019	12.9
164.04826	4.8
165.05557	1.2
166.02705	0.6
173.00928	100.0
174.01714	25.6
174.03238	1.7
175.00409	0.7
175.02510	0.9
175.03992	4.9
176.01161	0.9
176.04755	3.5
177.01884	1.0
177.05580	1.5
178.06364	11.5
178.07861	0.8
179.03508	3.7
179.05594	0.5
179.07120	8.1
180.07504	0.7
187.04172	0.5
188.04797	1.7
189.01962	0.7
189.05624	1.0
190.02728	2.9
190.06319	0.6
191.01950	1.6
191.03514	12.2
191.05479	0.9
191.07138	4.2
192.04192	0.9
193.05106	1.7
193.08711	8.4
194.05898	2.0
194.08990	0.5
198.17062	0.4
201.01927	2.0
201.05504	0.5
202.02661	0.6
203.03510	6.7
203.07037	0.6
204.04272	0.8
205.05070	5.7
206.05809	6.1
207.02856	0.4
207.06445	1.3
208.04140	0.4
208.07318	0.5
209.08234	1.8
217.01532	0.5
217.05092	0.9
218.02158	0.7
218.05865	2.8
218.10329	4.8
219.02980	5.1
219.06560	0.8
219.10645	3.0
221.04585	1.6
221.08212	5.2
222.05299	0.6
222.08353	0.5
229.01486	2.0
232.03825	0.5
233.04538	0.9
233.08183	1.2
234.05341	3.5
235.02563	0.7
235.05998	0.7
236.06851	0.7
237.07600	0.7
238.04884	0.6
245.04503	0.7
246.01837	0.5
247.02444	9.5
247.06134	1.3
248.02844	0.8
249.04031	0.8
249.05319	0.5
249.07664	3.7
250.04694	0.6
250.07967	0.5
251.09097	0.5
261.04047	2.0
262.04800	14.2
263.05264	1.3
264.06323	0.7
265.07153	13.4
266.07574	0.9
276.06372	1.2
277.07153	26.1
278.07602	2.1
279.10855	1.3
283.18216	0.4
295.08206	12.1
296.08557	0.9
323.07684	1.6
337.09286	35.7
338.09573	3.6
343.12405	0.8
355.10260	5.1
356.10565	0.5
383.09698	4.1
384.09830	0.5
427.12430	1.7
439.12985	1.0
449.86670	0.5
487.14206	0.5
493.07758	0.4
503.14044	0.8
527.16382	0.5
545.14935	11.5
546.15271	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	545.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30565	0.2
53.85965	0.1
54.07472	0.2
57.03449	0.3
58.00589	0.2
59.01378	5.3
59.44827	0.2
61.98832	0.9
69.03461	0.4
69.65330	0.7
69.65733	0.4
71.01382	3.2
72.99311	0.4
73.02952	0.2
75.00874	0.2
78.91891	0.4
83.01402	0.9
85.02959	1.4
87.00880	1.2
89.02454	3.3
89.03947	0.2
93.03474	0.2
95.01395	0.5
97.02946	0.3
98.20589	0.3
99.00854	0.2
101.02457	1.5
105.03463	0.5
109.02951	0.3
111.00882	0.5
113.02463	2.1
115.01895	0.2
117.03477	1.0
119.03502	1.1
119.05045	0.2
125.02440	0.2
127.04060	0.2
129.01993	0.3
132.02170	1.7
133.02969	28.9
134.03259	1.1
135.02992	0.2
135.04538	5.3
136.04851	0.2
137.02455	0.3
139.00375	0.4
143.03491	0.4
145.02942	0.3
147.28679	0.2
157.30573	0.2
159.04451	0.3
161.02458	100.0
162.02791	5.5
163.04051	0.4
173.04529	0.3
177.05589	0.2
179.03514	3.1
179.05611	0.5
180.03899	0.2
184.15018	0.2
189.05624	0.3
191.01952	0.4
233.04478	0.3
323.07458	1.8
341.10794	1.5
383.11258	0.2
485.13153	0.9
503.14014	2.9
504.14600	0.3
506.98096	0.2
545.15033	31.3
546.15417	5.3
548.71179	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02609	0.1
57.03442	0.2
59.01379	5.1
61.98827	0.5
65.43571	0.1
69.03444	0.2
71.01388	3.2
71.65065	0.2
72.99294	0.2
73.02952	0.6
75.00887	0.5
77.03968	0.2
80.26774	0.2
83.01390	1.2
85.02956	0.9
87.00874	1.0
89.02451	3.7
93.03454	0.3
95.01401	0.3
95.05031	0.2
96.96004	0.1
97.02943	0.1
99.00868	0.1
100.40582	0.1
101.02459	1.7
105.03496	0.6
109.02937	0.1
110.02824	0.1
113.02462	1.9
116.92854	0.1
117.03484	1.0
119.03523	1.0
119.05025	0.2
123.04533	0.2
125.02448	0.2
131.03555	0.2
132.02170	1.4
133.02972	28.6
134.03250	1.3
135.04546	4.4
136.04868	0.1
137.02475	0.2
139.03906	0.1
143.03560	0.3
145.02963	0.3
149.04582	0.2
161.02458	100.0
162.02788	5.8
177.05524	0.2
179.02028	0.3
179.03523	3.1
179.05551	0.6
180.03931	0.1
189.05574	0.3
191.05602	0.3
207.06844	0.1
219.33311	0.1
221.04686	0.1
233.04482	0.3
276.57614	0.1
323.07407	1.3
324.08176	0.1
341.10913	1.5
342.11267	0.2
383.11462	0.4
485.12784	0.9
503.14014	2.9
504.14249	0.4
543.90149	0.2
545.15033	26.8
546.15326	4.8
548.08105	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	545.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48386	0.3
59.01376	5.7
61.98830	2.7
71.01380	5.1
73.02959	0.8
75.00865	0.5
78.95905	3.6
83.01390	2.3
85.02956	1.7
87.00892	2.2
89.02449	3.9
95.01415	0.4
96.96030	6.6
96.96980	7.2
98.19865	0.8
99.00911	0.3
101.02440	2.2
105.03521	0.5
109.03023	0.3
113.02449	2.8
115.00384	0.8
117.03484	0.8
119.03502	1.0
121.02939	0.5
123.04505	0.3
125.02473	0.5
129.01955	0.4
132.02191	1.3
133.02968	26.9
134.03339	1.3
135.04541	2.3
137.02411	0.4
143.03525	0.7
143.07285	0.4
145.02945	0.3
146.04523	0.3
150.03232	0.8
160.01675	0.3
161.02457	100.0
162.02798	5.3
165.05585	0.4
173.04550	0.6
175.02501	0.8
175.03947	0.5
179.03523	1.5
179.05597	0.7
190.76700	0.3
191.05675	0.6
271.05817	0.3
301.10657	0.4
323.07703	1.2
341.10931	2.7
342.11737	0.3
383.12341	0.5
485.12964	0.7
503.13773	1.1
545.14929	23.9
546.15216	5.0
566.01910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74603	0.5
57.03434	0.6
57.87215	0.4
59.01376	2.4
70.20280	2.0
70.20685	0.8
71.01377	2.0
72.94535	0.5
78.95912	1.7
82.32308	0.5
85.02955	6.0
87.00885	3.5
89.02438	1.3
93.03478	2.4
94.03798	0.5
96.96019	1.2
96.96980	2.3
98.20513	0.7
99.00856	0.8
101.02445	0.6
109.02982	0.7
111.00885	2.0
116.07185	2.0
127.04049	1.5
129.01964	0.7
130.08717	0.5
133.01427	0.6
133.02982	3.6
135.04581	2.3
137.02492	0.6
147.03024	0.6
148.07660	0.8
158.08241	1.3
160.04060	0.6
161.02464	13.4
162.02783	0.8
173.04573	2.8
179.03522	2.1
191.02139	2.6
191.05629	100.0
192.06013	4.9
202.07130	0.7
307.75305	0.5
353.08685	18.0
354.09201	2.4
417.30850	0.5
473.13223	0.7
510.85504	0.5
522.08154	0.5
530.10663	0.5
545.15063	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	545.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58879	0.1
55.01863	0.2
58.00600	0.3
59.01376	5.6
61.98833	1.1
69.03453	0.3
69.70948	1.1
71.01380	3.6
72.99319	0.3
73.02956	1.6
75.00875	0.2
83.01379	1.4
85.02943	1.1
87.00883	2.1
87.01370	0.2
89.02451	2.9
89.03996	0.2
90.02766	0.2
93.03471	0.2
95.01405	0.4
96.96010	0.4
96.96987	0.3
98.20602	0.3
99.00887	0.2
101.02451	2.8
105.03457	0.4
111.00938	0.2
113.02454	2.4
116.92879	0.4
117.03473	1.1
119.03499	1.2
119.61446	0.1
121.03007	0.2
123.04557	0.4
125.02473	0.2
129.01855	0.2
131.03534	0.3
132.02145	1.1
133.02969	24.9
134.03279	1.0
135.04527	2.2
141.01952	0.3
143.03459	0.5
149.04639	0.2
149.06041	0.2
151.16212	0.1
153.09047	0.2
160.01733	0.2
161.02457	100.0
162.02798	5.5
175.03986	0.2
179.03491	1.4
179.05597	0.7
180.04051	0.2
191.05577	0.3
233.04442	0.2
305.55908	0.2
315.70419	0.2
323.07489	1.7
341.10947	1.9
360.66669	0.2
383.12122	0.8
409.60800	0.2
477.40677	0.2
485.12717	0.3
503.13980	0.7
545.14948	18.6
546.15271	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	545.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
57.03456	0.7
59.01381	4.0
61.98829	4.4
69.03468	0.5
69.62945	1.3
69.63374	1.5
71.01380	3.7
72.99294	0.5
73.02955	1.0
75.00879	1.3
81.03432	0.5
83.01406	0.7
85.02956	2.5
87.00900	0.8
88.98801	0.5
89.02454	1.8
93.03453	1.7
94.03804	0.3
96.96015	0.9
97.06647	0.4
98.19865	0.5
99.00877	0.7
101.02463	1.4
107.05052	0.6
108.02203	0.5
109.02972	0.7
111.00967	0.5
113.02479	1.9
116.92867	1.8
117.03482	27.7
118.03820	1.2
119.05045	14.5
120.05419	0.9
121.02956	0.6
125.02474	1.7
131.29854	0.4
135.04466	0.4
135.77983	0.3
137.02443	1.8
145.02971	100.0
146.03313	5.4
149.00681	70.3
150.01018	3.8
152.64235	0.4
153.01924	0.5
155.10707	0.5
159.04466	0.6
160.01692	0.8
160.04054	1.2
161.02437	0.9
161.04666	0.5
161.06117	1.0
163.04039	9.6
164.04314	0.6
173.04648	0.7
175.04034	0.9
175.07605	0.4
177.04092	0.9
179.03452	0.4
187.03995	1.0
191.05626	0.7
192.99652	51.9
194.00011	2.8
203.07176	0.5
205.05112	0.4
225.03828	0.7
235.06210	0.4
236.82555	0.4
247.06151	0.5
252.02440	1.3
253.03267	7.8
254.03592	0.4
284.03207	1.5
285.04004	1.6
295.04346	1.3
307.08224	37.9
308.08582	3.9
313.34134	0.4
355.04907	3.4
356.04861	0.4
383.11475	0.5
447.09335	1.3
457.09619	3.9
458.10089	0.6
501.08578	15.6
502.08994	2.7
545.12451	1.4
545.19611	1.8
545.25751	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96082	0.4
57.03439	1.3
59.01377	5.9
60.12849	0.5
61.98828	14.9
71.01382	5.1
71.61916	0.5
72.99315	1.1
73.02953	1.4
73.68190	0.4
75.00872	2.3
82.07787	0.4
83.01389	1.1
85.02959	3.0
87.00879	0.9
88.98806	1.4
89.02463	2.9
89.02926	0.4
93.03466	1.6
96.96010	0.5
97.02944	0.5
99.00870	1.1
99.04530	0.5
101.02448	2.9
107.05070	0.4
109.02963	1.3
111.00887	1.0
113.02455	2.3
114.63079	0.5
116.04580	0.4
116.92896	1.6
117.03482	25.7
118.03770	1.0
119.03597	0.7
119.05040	11.2
120.05389	0.7
121.02982	0.6
123.04563	0.9
125.02453	4.1
129.01920	0.6
134.03789	0.7
135.04529	0.9
137.02452	1.4
145.02971	100.0
146.03320	4.8
149.00681	68.9
150.00993	3.5
150.03218	2.3
151.00394	0.8
151.04024	0.7
153.01950	0.8
157.01445	0.6
159.04536	0.5
161.02466	1.4
161.04700	0.9
161.06087	1.1
163.04030	8.0
165.01941	0.8
165.05559	3.2
166.02742	0.6
173.04553	1.1
175.02505	0.8
177.04088	0.8
178.99908	0.5
179.05609	0.4
179.10803	0.9
181.05139	0.6
187.03992	0.9
191.05656	2.8
192.99652	49.6
193.99971	3.6
195.06639	2.2
205.05057	0.8
217.05031	0.5
225.03804	1.0
233.69958	0.5
247.06192	0.9
249.06061	0.9
252.02475	1.0
253.03241	7.5
254.03671	0.5
266.05823	1.6
271.06061	1.0
281.08521	0.6
284.03400	0.8
285.04050	1.3
286.08569	0.7
295.04294	1.0
301.10742	2.5
307.08218	41.6
308.08563	2.8
334.63419	0.4
353.06537	2.9
355.04889	3.8
356.05350	0.6
365.10278	3.2
366.10730	0.6
375.18710	0.5
383.11209	0.5
447.09430	1.2
448.09683	0.5
457.09497	3.9
473.16293	0.7
482.17548	0.9
483.18845	0.5
501.08545	16.2
502.08862	3.0
545.18488	3.9
545.24841	0.8
546.18518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65492	0.1
54.95459	0.1
57.03440	0.2
58.00587	0.2
58.51953	0.1
59.01374	3.1
61.98829	100.0
62.98542	0.3
65.00346	0.3
65.95236	0.1
69.36185	1.2
69.36601	0.3
71.01392	1.6
72.99310	0.3
73.02953	0.6
73.47656	0.2
75.00897	0.3
78.95913	0.2
81.03465	0.2
83.01410	0.5
85.02975	0.9
87.00896	0.4
88.98820	0.6
89.02445	1.0
93.03461	0.8
95.01401	0.2
96.96044	0.4
96.96957	0.2
97.02977	0.2
99.04545	0.2
101.02473	1.1
107.01387	0.3
108.39703	0.2
109.02963	0.4
111.00916	0.3
113.02468	0.7
114.05617	0.2
117.03481	0.2
119.03535	0.5
119.05044	0.7
121.02995	0.3
123.04535	1.0
123.08150	0.2
124.01727	0.2
125.02467	1.2
133.02983	0.2
134.03769	0.2
135.04532	0.5
137.02477	0.7
137.09785	0.1
145.02936	0.9
147.04469	0.2
149.02432	0.2
149.04616	0.2
149.06166	0.2
151.00403	1.4
151.04077	0.2
151.06187	0.3
153.05580	0.9
155.10786	0.5
157.01631	0.2
161.02385	0.8
161.04561	0.3
161.09810	0.2
163.04071	0.4
165.01926	0.2
167.03485	0.9
168.00700	0.4
173.04559	1.2
175.00418	0.2
175.03975	0.3
177.01918	0.2
179.03604	0.2
179.05635	0.3
179.10852	0.3
181.12299	0.3
183.10274	0.3
187.07668	0.2
191.05655	0.6
199.09857	0.2
201.20863	0.1
205.04999	0.1
205.12300	0.3
215.07137	0.6
217.01259	0.2
223.13460	0.1
225.11345	0.3
226.11682	0.2
231.10268	0.5
243.12390	0.6
259.06201	0.2
260.52640	0.2
271.06174	0.5
284.03290	0.4
285.04095	0.4
285.13361	0.2
287.05640	0.4
295.10269	0.2
313.11365	0.8
345.15500	0.3
346.60410	0.1
365.10367	0.5
369.06082	0.2
383.11066	1.1
383.20691	0.2
405.17780	0.2
407.32364	0.2
481.16837	0.2
544.25623	0.6
545.13208	0.4
545.26978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3323
Annotation	Luvungin A
Peak:m/z	Relative Intensity
55.01876	2.1
55.09931	0.4
55.28022	0.4
57.03437	1.0
59.01380	17.4
60.99294	1.5
61.98829	4.5
62.06833	0.4
63.11882	0.4
68.16730	0.4
70.82885	0.9
70.83221	0.8
71.01363	0.5
73.02948	3.5
79.79886	0.4
85.02956	19.0
90.40721	0.4
104.28058	0.4
111.08173	0.8
125.09756	1.0
127.99404	0.4
163.84921	0.4
168.49373	0.4
187.09752	0.4
198.12444	0.4
211.29109	0.4
229.60268	0.4
287.63959	0.4
307.19165	0.5
393.27966	0.5
409.27237	0.8
411.29199	0.5
435.29092	0.7
437.30411	1.2
465.29996	5.3
466.30191	1.6
483.31128	43.8
484.31454	9.7
543.33142	100.0
544.33527	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	544.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09637	0.1
54.14468	0.1
59.01368	1.1
61.98826	100.0
69.79496	0.6
69.79926	0.4
71.01046	0.1
71.01375	0.7
72.99311	0.2
73.02972	0.3
78.95936	0.2
84.86391	0.1
85.02948	0.4
86.14456	0.1
87.00896	0.2
89.02476	0.4
96.96029	0.3
96.97005	0.4
101.02473	0.4
113.02510	0.4
119.03452	0.2
121.02991	0.1
130.94382	0.2
131.03513	0.1
133.02956	2.0
137.02501	0.2
141.05524	0.2
153.02074	0.2
161.02451	6.8
179.03494	0.3
191.05547	0.7
323.07727	0.3
343.12405	0.2
450.30112	0.2
508.17117	0.2
519.97327	0.2
544.16626	0.2
545.15009	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	544.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
58.00604	0.4
59.01379	7.1
60.99304	0.6
61.98832	100.0
65.00314	0.3
69.03465	0.3
71.01384	4.1
71.05058	0.4
71.65852	0.4
71.66203	0.5
72.99317	0.8
73.02957	1.5
75.00878	1.3
81.03454	0.5
83.01406	0.9
83.05061	0.4
85.02950	2.0
87.00899	1.3
87.04517	1.8
88.04165	0.3
88.04807	0.3
88.98812	4.5
89.02457	2.5
93.03469	23.4
94.03831	0.7
95.01422	0.4
95.05032	0.6
96.96030	0.8
97.02967	0.7
99.00901	0.6
99.04588	0.4
101.02442	3.0
105.01988	0.5
105.64716	0.4
107.01427	0.9
107.05015	0.4
108.02208	0.9
109.02998	1.1
111.00914	0.4
111.04529	0.6
113.02495	2.0
115.00407	0.7
116.79461	0.3
116.92930	0.7
117.03505	0.6
119.03529	0.9
119.05060	1.4
121.02984	1.0
123.04559	2.0
123.08134	0.4
124.01681	0.7
124.04908	0.5
125.02448	3.5
126.02836	0.4
129.01967	0.9
131.03511	0.3
132.02214	0.3
133.02988	0.6
135.04539	2.1
137.02463	35.9
137.09764	1.3
138.02823	1.3
138.05644	0.5
139.07713	0.8
145.02979	1.9
149.02440	0.7
151.00404	3.2
151.04044	1.0
151.06134	1.0
152.01169	0.4
153.02029	0.9
153.05650	0.7
154.06052	0.4
155.10800	10.2
156.06500	0.3
156.11153	0.5
160.01704	0.4
161.02457	2.3
161.04642	0.6
161.06192	0.4
161.09784	0.8
161.13383	0.4
162.02797	0.5
163.04074	1.5
163.11348	0.4
165.01846	0.3
167.03539	1.3
168.00697	0.8
169.01308	0.4
169.12363	0.5
169.88315	0.4
173.04596	0.9
175.02550	0.8
175.04013	0.6
176.01306	0.4
177.01978	0.7
177.04137	0.6
177.09248	0.4
179.10739	1.9
181.08786	1.3
181.12411	0.7
187.07692	0.4
187.11328	0.6
189.05684	0.4
191.03711	0.4
191.05653	0.8
191.10814	0.5
195.10266	0.5
199.09772	9.6
199.11543	0.5
200.10132	0.6
203.03510	0.4
205.12315	0.6
215.07260	0.5
223.09776	0.5
225.11383	0.3
241.10738	2.5
245.08157	0.4
253.05066	1.1
253.10770	0.8
255.03044	0.6
255.12471	0.9
271.06210	0.9
283.11829	4.3
284.12421	0.4
285.04117	0.5
287.05634	0.5
289.07227	1.1
302.13300	0.4
303.05112	0.7
313.11517	1.3
343.13962	6.5
344.14560	0.9
365.10498	0.5
369.06268	0.4
373.45648	0.3
383.11545	1.3
383.20605	0.5
418.10388	0.5
448.79037	0.3
458.64291	0.4
471.13034	0.4
471.18994	1.0
481.17175	13.9
482.17551	2.5
543.63312	0.7
544.22034	0.5
545.13098	1.1
545.18774	0.6
545.26306	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	543.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29863	0.3
59.01378	2.0
60.99306	13.8
61.98829	7.1
65.88465	0.3
66.93192	0.3
69.44954	2.5
69.98424	0.3
71.01382	1.3
73.02947	0.4
76.89859	0.2
85.02955	0.8
87.00895	1.1
88.00416	1.1
88.98814	100.0
89.02451	9.0
89.99145	1.4
91.01907	0.3
96.96030	0.7
96.96973	0.6
97.02987	0.4
99.00869	0.3
101.02457	0.3
101.60336	0.3
105.37218	0.3
108.02201	0.5
109.02988	1.1
113.02452	0.4
119.05074	0.4
121.02955	0.3
123.04558	0.4
125.02453	0.9
131.85641	0.3
135.04524	0.4
137.02518	0.5
140.01151	0.4
145.02979	0.6
151.00354	0.6
152.01186	0.5
153.01933	1.2
155.02429	0.4
155.10826	0.4
160.01659	0.5
161.02419	0.6
164.04588	0.3
175.02657	0.3
175.04031	0.5
177.04060	0.3
179.10851	0.6
182.99405	0.3
247.71591	0.3
271.06131	1.0
472.55414	0.3
543.19470	2.2
543.35406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78155	0.9
54.42069	0.7
57.03452	2.0
59.01379	32.1
61.98832	100.0
63.02404	1.2
65.00327	2.8
71.01389	8.4
71.04987	1.0
71.23207	1.9
72.99311	1.7
73.02960	2.4
75.00890	1.3
83.01400	3.4
85.02963	3.0
87.00880	1.8
88.98820	2.6
89.02434	6.9
93.03455	5.3
96.96030	2.4
99.00848	1.0
99.04531	1.3
101.02473	6.0
107.01378	5.3
108.02180	1.4
109.02991	1.5
113.02459	4.4
116.92817	1.0
117.03541	1.1
119.03552	2.0
119.05043	14.4
121.02963	1.3
121.48703	0.8
122.44043	0.9
123.04534	1.6
124.01687	1.0
125.02470	4.2
127.47226	0.8
129.01967	0.9
132.02182	1.2
134.03792	2.2
135.08191	0.8
137.02493	4.9
137.03372	0.8
145.02985	3.4
149.04518	0.8
151.00401	15.6
151.07643	0.9
155.10826	1.7
160.01666	3.9
161.02498	1.5
161.04634	2.7
165.01971	1.6
165.05586	1.1
166.48726	0.9
169.01479	1.8
171.10266	1.5
173.04634	1.1
175.03983	4.7
177.01962	3.7
179.03487	1.7
179.05598	1.1
187.04100	1.3
193.05096	3.0
209.11783	1.2
235.06215	1.7
252.55099	0.8
255.03065	0.8
259.06198	1.4
265.07327	1.2
271.06113	33.4
272.06464	4.8
294.37469	0.9
295.08231	1.7
341.06729	1.8
381.09869	1.4
397.09180	1.5
483.28360	4.6
484.29959	1.0
543.15570	1.3
543.33521	21.1
544.16791	1.1
544.25201	1.7
544.34027	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	543.3326
Annotation	Luvungin A
Peak:m/z	Relative Intensity
52.99612	0.1
57.03471	0.3
59.01379	13.4
60.99306	1.2
61.98848	0.7
68.99815	0.2
71.05042	0.2
71.55058	0.2
73.02955	1.6
81.60889	0.1
93.98872	0.1
144.23242	0.2
201.03181	0.2
230.56712	0.2
230.59940	0.2
235.17084	0.2
353.24844	0.3
365.24490	0.2
367.26651	0.2
383.29514	2.1
384.29932	0.3
395.29599	1.8
396.29779	0.5
409.27515	1.8
410.27469	0.3
421.31186	8.7
422.31519	1.5
437.30606	5.7
438.31091	1.1
439.32263	4.5
440.32706	0.9
455.31943	0.3
465.23502	0.4
465.30051	7.7
466.30371	2.0
483.31155	48.7
484.31494	10.4
501.32178	0.4
543.33203	100.0
544.33563	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01917	0.4
57.03199	0.4
57.03505	4.2
59.01107	1.4
59.01437	18.0
60.99363	1.1
61.98888	1.3
69.03524	0.9
71.01476	0.3
71.05084	0.4
71.60645	0.2
73.02953	3.7
83.05080	0.3
85.02995	0.3
98.19863	0.6
115.92206	0.3
128.23701	0.2
145.49916	0.3
146.28522	0.2
182.09959	0.3
229.66270	0.3
257.55655	0.2
280.30405	0.2
341.82867	0.3
353.25226	0.3
363.26978	0.4
367.26511	1.4
382.28745	1.6
383.29318	0.6
395.29309	0.4
405.28284	1.2
407.26080	0.6
409.27380	0.3
419.29694	0.6
420.30396	0.7
421.31720	1.3
435.28986	0.6
436.29660	0.4
437.30493	1.9
439.32211	0.5
465.30072	7.2
466.30704	1.3
483.31134	48.3
484.31448	10.7
484.38562	0.4
543.33160	100.0
544.33502	22.4
544.42163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53685	0.2
57.03449	0.4
58.38086	0.3
59.01376	3.0
59.12227	0.2
60.01699	0.3
60.67235	0.3
61.98826	24.9
69.03442	0.3
69.48400	0.2
71.01377	3.2
71.58841	0.5
72.99315	0.5
73.02952	0.7
75.00879	1.7
78.64935	0.3
78.95909	1.2
83.01389	0.5
83.05028	0.3
85.02956	1.6
87.00877	0.9
88.98808	1.0
89.02433	1.5
89.49977	0.2
93.03468	0.6
96.96005	0.7
96.96964	0.8
97.02976	0.3
99.00916	0.5
101.02456	1.6
101.03001	0.2
108.02164	0.3
109.02935	0.4
113.02426	1.1
117.03530	0.4
118.02989	0.9
119.03528	0.4
119.05037	0.5
121.03004	0.3
125.02433	0.3
129.01927	0.4
131.03673	1.5
132.02179	2.6
132.04567	3.2
133.03011	2.1
134.03764	3.6
135.04547	1.4
137.02461	0.8
145.02959	0.4
149.02446	0.4
149.04558	0.5
149.06084	0.9
152.99599	0.7
153.01988	0.3
155.10782	1.0
156.11116	0.6
159.03271	14.4
160.01903	13.5
160.04045	100.0
161.02431	6.6
161.04410	5.2
165.01912	0.2
174.05624	0.7
175.04002	18.6
176.04482	0.9
177.04070	1.2
178.02708	0.3
179.03488	0.9
181.07230	0.3
186.05652	0.3
187.07655	0.5
191.05629	1.0
193.05063	3.1
199.09753	0.3
200.10109	0.3
202.06323	0.7
204.02995	5.4
204.04691	0.4
205.03384	0.3
209.11780	1.5
217.05194	0.3
221.04654	0.3
222.22647	0.3
226.06511	0.2
231.10304	0.7
253.20305	0.3
308.14212	0.3
321.19080	0.3
322.09415	2.4
323.07648	3.1
337.09280	12.4
338.09637	1.3
366.08337	0.7
429.66385	0.3
452.26468	0.3
483.24677	0.6
498.13992	14.9
499.14197	2.7
541.21100	0.4
542.12958	17.9
542.21283	2.7
543.13232	2.6
543.20233	6.0
552.03607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47956	0.1
57.03441	0.2
59.01379	1.8
61.45673	0.1
61.98829	100.0
62.98524	0.2
62.99254	0.1
63.24424	0.1
69.48077	1.0
71.01381	0.3
74.51259	0.1
75.77724	0.1
83.01398	0.1
85.03004	0.2
89.02453	0.4
93.62502	0.1
96.36223	0.1
98.20644	0.3
99.04556	0.2
101.02426	0.3
113.02468	0.2
119.03526	0.3
119.05054	0.3
125.02478	0.2
133.17171	0.1
137.02448	0.2
151.00414	0.4
164.04192	0.1
170.70009	0.1
175.41861	0.1
177.02010	0.1
179.05675	0.1
232.80992	0.1
271.06067	0.7
289.18179	0.4
307.19284	0.5
483.28296	0.4
504.33276	0.2
505.35529	0.2
506.35867	0.5
542.12482	0.1
542.27460	0.2
543.29816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09754	0.2
53.33435	0.2
55.01880	0.3
57.03450	0.5
59.01377	18.5
59.71788	0.3
60.99307	1.6
61.98831	4.2
70.20251	0.2
71.06543	0.7
73.02946	3.1
78.95919	0.9
79.85915	0.3
83.05043	0.7
96.96033	0.5
100.48993	0.3
104.32790	0.3
108.59013	0.3
109.02975	0.4
109.06588	0.4
111.04542	0.3
152.99585	0.8
194.81319	0.3
238.29242	0.3
351.23340	0.4
391.30075	1.1
393.27832	0.4
405.26080	0.4
407.25720	0.5
419.29608	2.5
420.30078	0.7
430.61859	0.3
433.27606	0.8
435.29108	2.2
436.29132	0.4
437.30716	1.3
463.28500	8.1
464.29068	1.6
469.33170	1.0
481.29572	49.5
482.24420	0.3
482.29892	10.4
541.31647	100.0
542.31982	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	541.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72298	1.2
55.01879	3.5
56.95914	1.3
57.03439	4.1
58.00576	1.5
59.01377	79.2
61.98830	100.0
69.03452	2.0
70.03107	1.1
71.01384	51.1
71.04153	3.1
72.99313	3.8
73.02946	16.6
75.00858	1.8
77.37213	1.1
83.01395	8.1
85.02957	22.1
87.00859	2.9
88.98827	2.1
89.02442	25.2
95.01368	3.4
96.96029	2.0
97.02957	2.2
99.00904	7.8
101.02454	49.7
109.02956	3.2
111.00950	1.5
113.02452	21.7
119.03524	11.9
123.04552	2.8
125.02453	8.6
129.01913	1.6
135.04527	1.4
137.02440	4.6
141.66142	1.2
143.03491	4.4
151.00414	1.9
151.04016	2.8
158.81354	1.2
159.02965	3.7
161.02477	2.3
161.04585	20.4
177.01945	1.5
179.05623	9.2
197.56227	1.2
203.07126	1.4
263.07693	1.3
271.06299	1.2
289.07025	1.7
308.74854	1.3
319.21231	14.9
481.26654	74.0
482.27026	12.2
505.35110	4.4
541.25592	3.9
541.33606	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	541.3165
Annotation	16-Deoxycucurbitacin B
Peak:m/z	Relative Intensity
57.03460	0.7
59.01376	16.0
60.99298	1.2
61.98833	2.7
61.99104	0.2
71.01408	0.3
71.05045	0.4
73.02955	3.7
83.05061	0.6
83.20080	0.2
95.03419	0.2
96.96066	0.4
97.06601	2.8
106.34946	0.2
109.06609	0.4
127.49912	0.2
171.08351	0.2
249.06627	0.3
279.17511	0.3
314.70157	0.2
314.74393	0.2
335.47824	0.2
364.28909	0.2
376.41101	0.2
379.26828	0.3
381.27893	0.6
382.28122	0.3
391.30020	0.9
393.27509	0.2
419.29794	2.3
420.30035	0.4
433.27264	0.8
435.28897	1.7
436.29791	0.3
437.30640	0.8
463.28528	7.6
464.28912	1.5
481.29559	50.4
482.22784	0.3
482.29889	10.5
541.31616	100.0
542.31982	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81097	0.2
55.01859	0.3
57.03463	0.5
58.00593	0.9
59.01377	100.0
60.01708	1.4
61.98830	15.7
62.38083	0.2
71.01382	15.5
72.99313	1.2
73.02953	0.8
75.00892	0.6
82.86664	0.2
83.01404	0.5
84.14323	0.3
85.02962	2.5
85.47847	0.2
87.00861	1.2
87.04532	0.4
89.02451	26.3
90.02811	0.7
93.03498	0.4
95.01416	0.9
95.75800	0.2
96.96030	0.3
98.19861	0.5
99.00928	0.3
101.02451	8.0
102.02805	0.3
108.02199	0.3
108.04562	0.3
109.02998	0.5
113.02464	8.1
116.92913	0.7
117.03477	0.2
117.96458	0.2
119.03516	11.3
120.03855	0.4
121.02964	0.3
123.04568	0.3
125.02493	1.4
129.01967	0.3
131.03500	1.8
135.04539	0.7
136.01711	0.3
137.02475	0.6
137.09767	0.8
143.03531	2.6
145.02998	0.5
149.04585	1.2
149.06075	0.2
149.99629	0.3
151.04025	0.5
152.01221	0.4
153.01950	0.5
155.10794	5.4
160.04053	2.5
161.02480	0.7
161.04579	3.0
162.02866	0.2
163.04056	0.3
168.00642	0.4
173.04688	0.4
175.04100	0.5
177.04095	0.4
179.05621	10.9
180.06026	0.6
187.45189	0.2
191.05731	0.3
199.09741	2.5
241.10924	0.8
269.82416	0.2
289.07129	0.4
366.08582	0.6
475.31265	0.2
478.14319	0.2
479.21307	7.9
541.18103	1.1
541.26501	0.4
542.19080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
58.00581	1.1
59.01376	100.0
60.01716	1.0
61.98827	15.9
64.42272	0.2
65.00328	0.3
65.45749	0.2
69.03440	0.3
71.01382	16.4
72.99312	1.0
73.02969	0.8
75.00887	0.9
83.01387	1.4
85.02964	2.8
87.00893	1.5
88.98812	0.4
89.02447	26.4
90.02793	0.4
93.03501	0.4
95.01408	0.9
97.02962	0.5
98.19844	0.5
101.02452	9.5
107.01397	0.3
108.02211	1.0
109.02991	1.1
111.00961	0.3
113.02463	8.0
113.03242	0.4
119.03515	11.0
119.04978	0.5
120.03934	0.3
121.02979	0.3
122.06142	0.6
123.04549	0.4
124.01694	0.6
125.02463	2.2
131.03519	1.6
133.02980	0.3
134.03787	0.3
135.04573	0.3
137.02492	0.7
143.03519	2.7
143.06102	0.2
145.02985	0.3
147.04372	0.2
149.02496	0.3
149.04582	0.8
149.99644	0.5
151.00400	2.1
151.04015	0.3
152.01173	0.9
152.07237	0.9
153.01952	11.2
154.02318	0.8
155.10771	1.4
161.02509	0.6
161.04576	2.9
167.03537	0.3
168.00703	1.1
169.01399	0.3
173.04663	0.4
175.04019	0.4
177.01952	0.5
177.04118	0.3
178.99933	0.7
179.05620	9.4
179.07184	0.5
180.05949	0.5
192.06682	0.6
193.07043	0.4
197.04558	0.2
199.09828	0.8
235.06181	0.3
243.77707	0.2
255.03036	0.2
271.02573	0.9
300.02777	1.0
301.03525	0.6
315.04697	0.2
326.12274	0.3
358.15115	0.6
478.11044	0.3
478.20459	0.4
479.21259	2.4
481.25159	0.9
505.10092	1.0
541.18805	2.4
542.20148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38106	0.5
55.01880	0.7
57.03434	2.2
58.00575	1.2
59.01098	1.0
59.01376	17.8
61.98829	18.9
65.68949	0.5
69.03443	0.6
69.57748	2.0
69.58172	2.2
71.01384	7.7
72.99299	1.1
73.02944	5.9
75.00867	2.9
78.95901	0.8
81.03439	0.8
83.01392	7.7
83.05029	0.7
85.02957	3.4
87.00853	1.0
87.04506	2.0
88.98821	1.4
89.02445	2.5
93.03467	3.2
94.98119	0.6
95.01442	0.7
95.05033	2.1
96.96023	1.5
96.96961	0.9
97.02963	1.2
97.06590	0.8
99.00880	1.4
99.04523	0.5
101.02454	5.3
107.05058	1.7
108.02180	4.1
109.02970	3.4
109.06626	0.7
111.04600	0.6
111.86380	0.5
113.02449	2.8
116.92840	0.8
117.03479	1.8
119.03534	1.0
119.05037	6.6
120.05336	0.7
120.94801	0.5
121.02956	1.7
122.03777	1.7
123.04535	94.2
124.01614	0.9
124.04850	4.5
125.02450	2.5
125.06130	0.6
132.02165	0.8
133.02960	1.2
133.06595	1.6
134.03746	1.5
135.04538	1.5
137.02469	4.4
137.06116	1.3
137.09731	0.9
139.04068	0.8
139.07713	0.6
139.11292	8.3
140.11652	0.7
145.02960	8.8
149.02452	0.5
149.06122	0.7
149.99612	1.1
151.00412	1.9
151.04053	0.9
151.11256	0.9
152.01166	4.7
153.02103	2.5
153.05583	100.0
154.05904	5.0
155.10791	2.4
160.01660	3.9
161.02516	2.5
161.04840	0.8
161.06073	4.1
162.03256	3.9
163.04037	6.5
163.11325	1.2
164.04448	0.7
165.02042	0.5
165.09148	1.2
165.99083	0.6
167.10800	0.6
168.00639	0.8
169.12337	2.6
173.04507	0.9
175.04051	5.6
177.01993	0.9
177.04179	0.8
177.05557	4.4
178.99884	0.6
179.03491	1.7
179.10837	2.1
181.12390	3.7
183.10278	11.6
193.05090	1.0
193.98514	1.1
195.05052	1.2
195.06729	0.9
195.13947	0.8
197.10190	0.5
197.11794	2.7
199.09802	1.3
199.13435	0.9
205.05025	4.3
205.12389	0.7
207.10347	1.4
215.07227	0.5
221.11885	0.6
225.11301	11.5
226.11646	1.3
231.10294	0.8
235.06097	6.1
236.06616	1.0
237.06752	0.6
239.05583	1.2
243.12334	10.3
244.12837	0.8
249.11330	1.2
255.02989	0.8
265.07162	10.0
266.07486	0.6
267.12445	1.7
271.06171	1.2
272.02661	0.6
280.03677	1.0
281.06937	0.6
285.03967	1.0
285.13510	1.6
291.12442	1.9
299.07828	0.7
301.03244	0.7
302.03671	1.1
303.03720	0.6
309.13306	0.9
325.09305	3.8
326.09808	1.0
327.10300	0.5
327.14401	2.7
377.06860	0.7
377.28333	1.3
387.16589	8.1
388.17029	0.9
444.12744	3.0
478.09546	1.2
481.20810	1.1
497.20648	0.9
505.20706	1.6
523.22180	1.5
540.70160	0.6
541.23004	87.2
542.23383	17.4
552.68762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2132
Annotation	(2E)-N-(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
Peak:m/z	Relative Intensity
57.03447	3.9
59.01381	5.9
67.01888	0.6
69.03467	2.6
69.22398	3.9
69.22829	2.3
71.01381	9.6
71.21518	0.5
72.99298	1.7
73.02940	2.2
75.00875	25.8
76.01238	0.6
85.02943	6.6
87.00880	6.9
87.04502	1.7
89.02454	1.7
97.02937	2.8
98.00334	0.5
99.00885	2.9
101.02462	1.2
111.00932	0.6
115.03965	0.7
129.01964	6.3
132.89041	0.7
135.08167	0.8
137.09738	6.5
141.01930	2.0
155.10793	59.3
156.11137	3.5
156.12230	0.6
159.02977	1.1
169.12306	1.0
177.04051	26.3
178.04333	1.1
181.07178	1.9
181.08727	1.6
197.06009	0.5
199.09761	26.0
200.10060	2.2
213.11296	1.6
241.10822	4.3
250.72282	0.5
345.15521	0.9
359.13464	5.7
363.16568	9.1
364.16962	1.0
377.14612	1.6
463.60361	0.6
505.19189	5.0
506.19534	1.0
541.21271	100.0
542.21643	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81661	0.4
57.03443	2.9
59.01374	5.4
69.03451	2.5
70.42829	0.4
70.96826	0.9
70.97174	0.6
71.01381	9.7
72.99310	1.4
73.02946	1.8
74.70391	0.4
75.00877	24.9
83.01395	1.0
84.02197	0.6
85.02951	6.6
86.03321	0.4
87.00885	7.6
87.04520	1.2
89.02446	2.7
92.83281	0.4
95.29642	0.4
97.02962	3.4
99.00877	2.7
101.02446	1.5
113.02460	0.6
115.04044	0.6
129.01949	7.1
131.03465	0.6
135.08183	0.7
137.09729	6.9
138.10164	0.4
141.01929	2.1
155.10788	58.4
156.11095	3.8
159.03038	1.3
162.50720	0.4
169.12352	0.9
177.04059	29.7
178.04417	1.5
181.07199	2.2
181.08728	1.4
195.05182	0.5
199.09764	27.0
200.10092	2.0
206.41701	0.4
213.11331	1.8
241.10739	4.3
345.15503	1.3
359.13400	6.0
363.16571	9.7
364.16882	1.3
377.14566	1.5
505.19144	3.9
506.19534	0.6
523.20117	0.7
541.21277	100.0
542.21643	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	541.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23108	0.4
55.01866	0.5
57.03433	2.5
58.00612	0.7
59.01383	6.4
60.00319	0.4
61.66409	0.5
61.98833	1.1
66.91508	0.5
67.01868	0.6
68.99826	0.6
69.03445	1.4
69.64449	1.0
69.64851	2.1
71.01381	10.5
72.99315	3.0
73.02953	3.1
75.00874	17.0
77.33536	0.5
83.01394	1.2
85.02954	9.3
86.03260	0.5
87.00884	4.1
87.04527	1.1
89.02449	3.5
93.43704	0.5
96.96066	0.5
97.02966	2.1
99.00914	3.7
101.02469	1.7
111.00885	0.8
113.02460	1.0
115.04015	0.7
119.03532	0.6
129.01952	5.9
131.03490	0.6
135.08127	1.2
137.09734	6.7
139.00417	0.8
141.01947	1.8
149.04506	0.8
153.09248	0.8
155.10794	92.4
156.11119	5.8
159.03027	2.3
160.01669	0.7
160.04053	6.4
165.05576	1.0
175.04018	1.3
177.04065	20.7
178.04509	1.2
181.07213	2.1
181.08701	1.0
191.05637	0.8
193.05034	0.5
195.05119	1.6
195.06691	1.0
199.09766	43.0
200.10138	3.8
201.10440	0.5
205.76855	0.5
213.11401	1.2
241.10789	2.2
337.09088	0.8
345.15622	1.1
359.13559	3.3
360.61938	0.6
361.14078	0.8
363.16586	26.6
364.16895	1.8
377.14468	1.9
379.14429	0.9
439.78513	0.5
481.23016	2.9
482.22971	0.7
498.14667	0.8
505.19437	2.6
506.19971	0.8
541.21301	100.0
542.13733	1.0
542.21698	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	541.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91622	0.5
53.63744	0.5
57.03440	3.8
59.01376	8.1
61.98809	1.5
67.73811	0.5
68.99774	0.5
69.03471	3.2
69.57906	2.7
69.58329	2.0
71.01380	11.6
72.01728	0.5
72.99313	2.6
73.02945	1.9
75.00877	26.4
75.87860	0.6
76.01221	0.8
82.02975	0.9
83.01367	1.2
84.02196	0.6
85.02952	7.2
87.00872	7.8
87.04502	1.1
89.02448	2.8
90.11725	0.6
93.03483	0.6
96.96021	0.9
97.02945	3.4
99.00889	3.9
101.02464	2.7
111.00861	1.1
113.02454	0.6
115.04002	0.6
129.01971	6.4
135.08234	0.6
137.02493	0.5
137.09746	7.3
141.01964	3.3
150.03230	1.6
155.10799	62.8
156.11110	3.7
159.02979	1.6
165.05562	1.7
169.12350	0.7
177.04066	32.7
178.04436	1.1
181.07150	2.4
181.08716	1.6
195.05078	1.7
195.06641	1.3
199.09769	29.1
200.10095	2.5
213.11324	0.8
241.10728	3.4
287.10425	1.0
345.15488	1.5
359.13464	6.7
360.13730	0.6
363.12054	0.8
363.16571	9.4
364.16818	1.1
377.14725	3.6
378.14822	0.7
481.22653	1.8
505.19067	4.0
509.14072	0.9
523.20245	0.9
541.21289	100.0
542.21564	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	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07252	0.3
57.03441	0.7
59.01376	8.9
61.98825	2.2
68.99826	0.3
69.03445	0.6
69.37290	0.3
69.39795	1.6
69.40225	1.2
71.01375	2.4
72.99291	0.4
73.02950	2.1
79.01887	0.4
80.05092	0.3
81.03448	1.1
83.01390	1.9
84.51441	0.3
85.02938	2.5
87.00876	0.3
89.02425	0.4
93.03463	0.8
95.01394	1.9
97.02967	0.4
97.06477	0.4
99.00904	0.4
101.02412	1.5
108.02180	46.5
109.02969	34.4
110.03307	1.3
113.02428	0.9
121.02953	1.1
123.00896	1.9
123.04495	0.7
125.02467	1.0
125.08806	0.3
133.02980	0.7
134.03745	0.3
135.04547	0.5
137.02455	0.5
137.09668	0.3
139.11305	5.9
145.03015	0.5
151.00417	0.3
151.04008	1.0
152.01161	58.5
153.01958	23.8
154.02274	1.1
155.10788	0.7
161.02449	0.4
161.04575	0.5
163.04004	1.1
164.04710	0.5
165.01921	0.8
165.09279	0.3
168.00667	0.3
168.03119	0.4
169.12350	0.5
175.03947	0.4
179.03432	0.4
179.07086	0.6
179.10863	0.3
181.12346	2.7
183.10271	7.1
184.10519	0.5
195.03154	0.5
197.04605	0.3
197.08263	0.4
197.11891	0.4
199.09750	0.8
225.11292	2.6
243.12323	1.3
249.11180	0.5
280.53125	0.3
285.03967	0.4
307.08673	0.3
404.84595	0.3
470.25003	0.3
479.19208	2.4
480.19199	0.4
481.17215	4.7
482.17142	0.7
497.20309	4.5
498.20459	0.8
505.16541	0.4
518.92059	0.3
523.18280	2.2
524.18158	0.3
541.19165	100.0
542.19489	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	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.3
59.01374	2.8
61.98827	3.7
67.47104	0.2
69.03458	2.6
71.01392	1.1
73.02955	0.4
74.36922	0.2
77.56140	0.2
81.03468	0.9
83.01398	1.1
85.02945	0.5
89.02454	0.6
95.01388	1.3
97.02955	2.6
101.02463	0.8
103.32480	0.2
107.01431	1.2
108.02203	0.7
109.02989	1.0
110.00130	0.3
111.04527	0.2
111.08128	0.2
113.02442	0.7
121.02958	0.5
123.00894	7.2
123.04514	0.3
124.00741	0.5
124.01676	22.0
125.02461	54.6
126.02802	2.1
136.01669	0.4
137.02460	2.2
139.03983	0.3
149.99600	28.5
151.00371	2.2
151.04031	0.4
165.12859	2.2
167.03545	1.4
168.00650	64.8
169.01404	7.3
169.72183	0.2
179.03506	0.4
183.13902	4.0
184.14308	0.3
207.14011	0.5
209.11827	0.5
211.02544	0.6
227.12898	0.6
251.12704	0.3
255.46092	0.2
265.14282	0.5
269.06885	0.3
287.07507	0.6
310.55301	0.3
313.05713	1.0
317.13895	1.3
331.06705	2.2
335.15012	0.3
383.48111	0.3
497.20264	0.5
523.18262	1.2
524.18445	0.4
541.19183	100.0
542.19525	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	541.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01374	4.4
61.98822	1.8
67.27784	0.3
68.41443	0.4
69.03433	0.4
69.51436	0.7
69.51851	1.9
71.01050	0.4
71.01380	4.2
72.99273	0.9
73.02949	1.9
75.00861	1.6
78.95883	0.4
85.02933	1.9
86.16553	0.3
87.00866	1.0
88.98786	1.2
89.02431	2.1
93.03443	0.5
96.96002	0.4
97.02957	0.4
97.06604	1.9
98.19878	0.6
99.00922	0.4
101.02445	2.0
103.29593	0.3
109.02942	0.4
113.02402	1.2
115.72042	0.3
119.03510	1.0
121.02947	1.2
129.01926	0.8
133.02943	0.9
135.04517	0.8
137.02431	1.1
137.09691	0.3
141.05551	1.5
143.03508	0.3
149.02435	2.3
150.03236	0.4
151.00385	2.5
152.01068	0.5
153.09254	0.6
155.10800	5.2
161.02472	4.0
161.04541	0.7
163.03954	1.2
164.04793	1.9
165.05554	0.7
166.02727	6.3
167.03439	1.3
177.04065	2.7
179.03564	0.7
179.05588	0.7
179.07092	0.7
181.05058	5.3
181.07259	0.7
182.05814	0.5
191.05614	0.4
195.05115	0.9
197.08144	0.4
199.04016	0.6
199.09821	2.4
200.81891	0.4
214.02852	0.4
215.03540	2.9
215.09239	1.1
225.02039	0.6
227.03569	0.7
229.05049	1.7
230.05771	2.2
240.04306	3.1
241.04929	1.5
241.57561	0.4
243.02957	8.3
244.03355	0.4
255.02965	0.6
257.04538	1.4
258.05313	8.5
259.05548	0.6
271.02466	7.4
273.07700	4.2
274.07977	0.6
286.04828	4.8
287.05215	0.5
301.07156	65.7
302.07507	5.9
316.09512	45.9
317.09830	6.0
331.11850	100.0
332.12204	10.7
349.18716	0.9
363.16766	1.9
379.13940	32.7
380.14194	3.1
393.13992	1.2
412.53360	0.4
505.15527	3.7
506.15979	0.6
541.22095	7.5
542.21655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51360	0.1
55.91674	0.1
57.03455	0.1
59.01377	1.3
61.98829	100.0
62.98532	0.1
65.19804	0.1
68.56665	0.1
69.03452	0.3
69.51321	0.4
69.51739	0.3
71.01389	0.5
73.02959	0.2
81.03439	0.2
83.01414	0.2
85.02966	0.2
88.98812	0.4
89.02441	0.2
93.03501	0.1
95.01414	0.2
96.96035	0.3
97.02933	0.4
98.65193	0.1
101.02450	0.4
107.01418	0.2
109.02972	0.2
113.02506	0.2
116.80331	0.1
117.03430	0.1
119.03604	0.1
119.05095	0.2
121.02978	0.2
123.00883	0.8
123.04509	0.1
124.01682	2.3
125.02463	6.6
137.02457	0.5
139.04047	0.1
145.02956	0.5
149.02385	0.1
149.99602	3.3
151.00404	0.2
151.03992	0.1
154.74643	0.1
161.04631	0.1
163.04057	0.1
165.12852	0.3
167.03482	0.2
168.00653	7.3
169.01407	0.8
171.48364	0.1
175.04050	0.1
183.13937	0.3
190.02489	0.1
226.93431	0.1
254.52686	0.1
317.14120	0.1
331.06714	0.4
343.24811	0.1
477.21341	0.2
481.27261	0.2
488.00119	0.1
508.16763	0.1
520.27057	0.1
523.17786	0.2
540.29041	0.1
541.19153	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	540.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.1
59.01379	1.1
61.98827	100.0
69.66747	0.4
69.67178	0.5
71.01399	0.6
73.02954	0.3
75.00881	0.1
81.03490	0.1
83.01380	0.2
85.02971	0.3
87.00917	0.1
87.04514	0.1
88.98822	0.1
89.02467	0.4
93.03468	0.4
101.02463	0.3
108.02183	0.1
109.03036	0.1
113.02469	0.4
116.92895	0.2
119.05059	0.3
121.02996	0.2
122.02557	0.1
123.04547	0.4
124.01744	0.1
124.74492	0.1
125.02470	0.8
126.02760	0.1
137.02475	0.3
137.09828	0.2
149.99629	0.2
151.00346	0.2
152.03583	0.3
155.10834	0.4
160.01723	0.2
161.02443	0.3
161.04604	0.2
163.04019	0.2
168.00688	0.3
169.01241	0.3
175.04039	0.2
177.04016	0.2
178.99930	0.2
181.06061	0.1
214.05893	0.1
261.00037	0.1
427.71164	0.1
480.24344	0.2
540.18756	0.6
540.31458	0.1
541.23462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	7.7
69.50290	1.5
98.19913	3.2
110.67008	1.7
128.47998	1.8
150.44565	1.6
179.07698	1.6
214.49043	1.6
287.49686	2.1
307.34195	1.8
501.32059	15.7
502.32364	2.8
503.33731	100.0
504.34094	24.4
539.31268	52.4
540.23944	1.8
540.31488	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	539.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.7
61.98833	26.2
70.83581	3.1
70.83987	3.0
78.51759	1.7
78.95883	3.1
93.47593	1.6
96.95990	1.6
97.52364	1.4
146.67680	1.5
164.40178	1.7
338.80017	1.7
461.32675	1.8
501.31552	13.8
503.33740	100.0
504.34073	19.6
539.31512	62.6
540.31769	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	540.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01376	14.0
60.66459	0.2
61.98829	100.0
62.20517	0.3
67.29007	0.2
71.01384	4.4
71.59796	0.4
72.99313	0.6
73.02962	0.4
75.00874	1.0
83.01408	0.4
85.02955	1.4
87.00891	0.7
88.98820	1.4
89.02450	4.6
90.02782	0.2
90.99231	0.2
93.03464	1.8
99.00905	0.2
101.02468	2.2
108.02213	1.0
109.02978	1.3
113.02445	1.6
116.92856	1.1
119.03518	1.5
119.05102	0.3
121.02986	1.1
122.03312	0.4
122.06217	0.3
124.01716	0.3
125.02468	1.1
129.01978	0.3
131.03532	0.3
135.01013	0.3
135.04533	0.9
136.01651	0.9
137.02469	3.6
138.05602	0.2
143.03537	0.5
145.02988	0.7
149.00719	0.3
149.02446	0.3
149.04562	0.3
151.00499	0.3
151.04059	0.7
152.01169	1.2
152.07227	0.9
153.01964	0.9
153.05652	0.3
155.10797	0.3
159.92012	0.3
160.01680	0.3
160.03987	0.3
161.02466	0.9
161.04597	0.6
162.03220	1.7
163.04013	1.0
164.07198	0.4
167.01894	0.3
168.00699	0.7
173.04604	0.3
175.03995	0.3
177.02094	0.3
177.04091	0.6
177.05629	1.5
178.05952	0.3
179.03499	1.8
179.05609	1.4
180.03760	0.2
181.12424	0.2
191.05670	0.3
192.06784	0.7
192.26460	0.2
195.05084	0.5
209.04608	0.7
211.00746	0.4
239.05562	2.6
239.07370	0.2
265.15982	0.3
289.07016	0.5
299.07660	1.9
301.03452	0.6
302.03854	0.3
357.14792	0.7
444.13254	0.2
448.09888	0.4
449.09857	0.4
450.10046	0.5
477.14172	4.0
477.20132	0.4
478.14868	0.8
539.34979	1.6
540.19135	2.3
540.34625	0.7
541.19318	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	539.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63976	1.0
57.03449	6.2
58.00597	3.4
59.01378	42.8
61.98831	8.3
69.03472	4.5
69.60094	1.0
69.68925	8.4
71.01388	26.5
71.01758	1.6
71.05037	1.6
72.99335	3.8
73.02945	7.5
75.00881	15.8
83.01411	2.1
85.02969	9.5
87.00922	4.7
87.04554	1.8
88.98790	5.2
89.02448	24.9
93.03507	2.0
95.01446	1.5
97.02980	2.7
99.00903	2.2
101.02459	18.4
113.02467	7.0
119.03562	4.2
123.04584	1.1
125.02487	2.1
125.06136	1.6
127.07676	2.0
129.02007	2.4
131.03586	4.0
133.03027	1.2
133.05133	2.4
135.04573	1.2
137.02510	2.2
137.06169	1.7
137.09789	2.0
139.11298	29.1
139.12268	1.5
139.34750	1.2
139.82764	1.2
143.03606	1.3
149.04555	7.1
151.06140	22.7
151.07330	1.4
152.06508	1.4
155.10803	13.2
161.02513	2.9
161.04668	3.1
165.05551	1.9
165.09280	2.6
169.12451	3.3
173.04538	1.4
177.04050	5.7
179.05713	1.8
179.10698	2.3
179.98734	1.0
181.12369	6.8
183.10274	52.6
184.10692	2.3
185.11856	8.0
191.05713	2.1
197.11986	4.3
199.09796	5.6
199.13576	2.0
209.11952	1.4
217.07175	1.0
225.11345	18.7
225.13446	1.2
226.11896	1.3
227.53310	1.3
243.12305	7.9
285.13565	2.1
293.08783	5.8
295.10330	12.9
313.11398	23.9
314.12006	1.5
339.71429	1.2
359.13776	2.1
361.22565	1.4
403.17007	1.3
421.17316	2.0
430.47943	1.3
479.21384	13.2
480.21945	1.4
521.22675	3.3
539.23773	100.0
540.24091	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	539.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
57.03436	3.7
59.01375	40.4
61.98826	50.8
69.03447	2.0
69.32665	7.6
71.01383	12.4
72.99301	1.3
73.02943	7.5
75.00859	2.2
78.95905	1.4
81.03477	0.8
83.01389	4.5
83.05029	1.0
85.02949	6.6
87.00895	1.7
87.04511	6.6
88.98816	5.2
89.02423	5.3
91.01904	4.5
93.03465	4.3
95.01374	1.4
95.05025	1.2
97.02943	2.6
99.00874	1.7
99.04498	1.9
101.02442	8.2
107.01388	1.1
107.05032	31.8
108.02153	2.9
108.05337	1.1
109.02951	3.0
109.06601	1.3
111.00891	1.3
111.04476	1.8
111.08173	1.6
112.04058	1.9
113.02436	4.2
117.03493	1.6
119.03559	1.1
119.05038	8.0
121.02956	4.0
122.03764	4.9
123.00862	2.0
123.04533	6.3
124.01670	2.5
125.02454	10.0
131.03485	1.5
132.02203	1.4
133.02942	2.5
133.06618	1.9
134.03723	1.6
135.00883	2.5
135.04529	2.2
135.08228	1.4
136.04053	1.0
137.02429	3.8
137.09766	4.0
139.07663	1.5
139.11307	6.7
143.03552	0.8
145.02982	10.8
149.02399	1.3
149.06120	1.4
149.99577	3.5
150.03233	86.6
151.00352	2.9
151.04005	9.5
152.01085	1.0
153.01959	2.7
153.09196	1.2
155.10796	27.3
156.11122	0.8
160.01668	6.0
161.02484	4.3
161.04668	1.7
161.06087	4.0
162.03252	5.8
163.04024	9.0
165.05579	74.3
166.05890	2.7
167.10757	1.4
168.00659	6.5
169.01445	1.4
169.12267	2.3
171.10187	0.9
173.04517	6.0
173.05811	0.9
175.04013	7.7
177.01920	4.4
177.04164	1.6
177.05557	6.1
178.99884	7.8
179.10747	3.8
180.04291	18.8
181.04681	1.8
181.07175	2.0
181.08708	2.5
181.12341	4.1
183.10236	8.9
190.02643	1.4
191.05611	4.1
191.07100	1.0
191.10867	1.5
193.05028	3.2
195.02985	4.4
195.06622	100.0
196.06972	6.7
197.00906	7.7
199.09743	35.0
200.10083	1.7
205.05063	6.4
209.11841	0.9
211.03816	1.3
211.13364	2.0
213.14941	2.0
223.09801	1.1
225.11314	4.9
227.03514	1.7
235.06087	6.9
241.10814	11.0
243.12346	3.2
244.02995	0.8
253.10710	2.5
255.02896	3.1
255.12357	1.9
256.03284	3.0
265.07120	11.5
266.07544	1.1
271.02454	3.3
271.05801	1.1
272.02664	3.2
283.02289	1.2
283.11905	15.8
284.03177	3.5
284.12161	1.8
285.04095	4.6
289.07230	1.6
291.15927	1.7
300.02719	4.1
301.03186	10.8
302.03860	4.9
303.04211	1.0
325.09265	2.3
327.08762	2.0
327.58987	0.9
333.17459	1.1
343.14001	11.2
344.14206	1.6
347.20532	1.6
357.09851	1.8
357.59604	1.0
359.27435	1.0
363.16537	1.3
375.27365	11.3
376.27655	2.5
377.28107	2.3
387.16574	1.7
431.09589	1.2
459.14651	0.9
476.02875	1.5
476.09152	11.4
476.22107	1.7
477.08673	1.7
477.23187	2.0
479.24881	1.2
495.22626	3.9
503.15381	0.9
503.29950	3.7
521.20013	1.0
525.63269	0.8
538.33374	1.4
539.21661	44.0
539.33484	3.5
540.22205	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	539.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72605	0.6
55.01857	0.7
57.03453	4.1
58.00598	0.7
59.01382	10.9
68.99810	1.0
69.03458	7.0
69.58306	1.0
69.58704	4.1
71.01386	11.8
72.99310	2.8
73.02938	2.8
75.00880	27.3
83.01392	2.0
84.02167	0.8
85.02955	12.7
85.03449	1.0
87.00883	10.6
87.04523	2.6
88.98814	0.7
89.02448	3.8
95.01417	1.1
97.02963	9.4
99.00896	5.0
101.02458	2.0
111.00877	1.3
113.02460	1.6
115.04021	1.0
117.01916	0.8
121.18977	0.6
129.01961	12.4
130.00868	0.6
131.03566	0.6
131.56526	0.5
135.08145	1.1
137.09743	9.8
141.01952	6.6
149.02367	0.8
150.03256	1.7
153.02084	0.6
153.09215	3.9
155.10794	88.6
156.11137	4.7
159.03032	2.6
161.04617	0.6
165.05621	1.0
169.12357	1.6
177.04059	49.8
178.04428	2.1
181.07234	0.7
181.08676	2.8
181.86348	0.5
184.98965	0.5
197.08136	1.0
199.09769	42.0
200.10046	3.1
201.17909	0.5
213.11287	1.6
241.10814	5.9
255.58107	0.6
264.86566	0.6
271.08600	0.6
288.24942	0.6
343.13910	1.2
357.11813	0.6
359.13470	51.4
360.13757	5.5
361.15106	1.2
377.14526	46.4
378.14880	4.0
391.16068	0.8
479.17325	1.4
491.18912	3.8
492.19543	1.1
503.17719	0.6
539.19775	100.0
540.20123	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	539.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52907	0.6
55.01877	0.7
57.03447	6.3
58.00580	0.9
59.01377	11.9
69.03454	9.6
69.32515	0.6
69.32874	7.3
71.01379	14.6
71.65912	0.8
72.99303	3.9
73.02936	3.3
75.00875	32.9
83.01399	1.8
84.02163	0.9
85.02953	15.0
87.00882	11.0
87.04510	2.3
89.02428	4.4
95.01382	1.2
97.02960	10.4
99.00901	6.7
101.02460	4.3
103.00398	1.1
111.00844	1.1
113.02455	2.6
129.01950	12.6
135.08209	1.9
137.09723	9.5
138.10101	1.1
139.00237	0.6
139.11301	1.1
139.19536	0.7
141.01941	8.1
149.02487	1.4
150.03268	1.3
153.09229	7.5
155.10786	94.8
156.11131	5.9
158.68021	0.7
159.02986	3.9
165.05594	1.2
169.12326	1.1
177.04051	53.5
178.04443	1.7
181.08698	2.5
185.33948	0.7
197.08173	1.5
199.09753	44.4
200.10036	2.4
213.11290	2.1
225.56612	0.6
241.10756	5.2
291.61465	0.7
318.13361	0.7
357.11719	0.9
359.13446	49.1
360.13815	5.7
361.15161	1.7
377.14511	45.4
378.14801	4.0
416.15359	0.8
491.19302	3.5
539.19751	100.0
540.19958	13.9
551.22137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22910	0.3
56.90276	0.4
57.03455	0.8
59.01377	6.2
60.60176	0.3
60.99307	0.7
61.98830	100.0
62.98543	0.6
62.99268	0.4
63.99267	0.5
65.21510	0.3
69.03451	3.2
70.52608	1.2
71.01384	4.9
72.99313	1.3
73.02941	2.1
75.00883	0.4
80.92756	0.4
81.03465	1.2
81.72364	0.3
83.01405	2.2
83.05055	0.5
84.74763	0.3
85.02937	2.6
87.00887	0.7
87.04526	3.3
88.98828	3.5
89.02456	1.7
93.03466	0.9
93.04236	0.4
93.19289	0.4
95.01408	1.5
95.05022	0.7
97.02954	2.5
99.04543	0.7
101.02447	3.2
104.29991	0.4
107.01417	1.3
107.05057	1.9
107.08755	0.3
108.02193	1.0
109.02990	1.6
109.06627	0.5
113.02439	1.9
117.03416	0.4
119.05039	0.8
121.02973	0.7
121.06573	0.4
122.03747	3.0
123.00904	6.3
123.04558	3.2
124.01680	15.9
125.02465	49.7
126.02779	2.0
137.02460	2.7
138.01962	1.8
139.03960	0.4
141.01813	0.5
145.02963	1.2
149.02411	0.4
149.99602	24.0
151.00459	2.2
151.04056	1.0
152.01114	0.6
152.07164	0.4
160.01665	0.4
161.02483	0.7
161.04575	1.4
163.04013	0.4
163.11368	1.0
165.01935	0.4
166.99817	0.4
167.03503	1.4
168.00656	52.9
169.01404	7.7
173.04504	0.5
175.04034	0.7
181.12370	1.1
183.13889	1.9
190.15335	0.4
191.03476	0.6
205.05127	0.6
225.11340	1.1
263.12888	0.4
271.06027	1.0
287.07703	0.7
289.14352	0.4
298.43192	0.3
313.05566	1.7
315.12454	0.9
317.19797	1.0
322.90814	0.4
331.06641	3.1
377.10370	0.6
479.24997	3.0
480.25336	0.6
495.22006	1.2
521.16650	0.6
539.17548	79.2
540.17981	15.3
540.24890	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98828	100.0
62.98530	0.2
64.24607	0.1
69.52229	0.4
69.52663	0.2
71.01390	0.2
76.25491	0.1
87.04542	0.1
88.98825	0.2
89.02480	0.1
97.02980	0.1
98.19908	0.2
98.20562	0.2
101.02468	0.1
107.01350	0.1
108.02198	0.1
113.02522	0.1
119.01392	0.1
123.00882	0.1
124.01693	0.5
125.02468	1.6
126.02799	0.3
137.02483	0.1
149.99626	0.6
151.00012	0.1
154.11826	0.1
165.19447	0.1
167.03618	0.1
168.00653	1.4
169.01068	0.4
190.02744	0.1
191.03088	0.1
205.05136	0.1
243.06644	0.3
244.07016	0.3
298.56314	0.1
331.06833	0.1
476.51117	0.1
538.16449	1.6
538.23889	0.3
539.17395	1.6
554.32886	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	539.105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01381	2.6
60.99303	14.5
61.98822	1.0
63.04925	0.2
69.03450	0.4
69.25231	1.6
69.25648	0.5
71.01385	2.3
72.99306	0.4
73.02946	0.7
75.00874	2.8
77.01296	0.3
83.01389	0.5
85.02958	1.4
86.03265	0.2
87.00883	0.5
88.98811	100.0
89.02465	0.9
89.99132	1.0
95.01417	0.2
97.02952	0.7
99.00891	0.4
101.02469	1.1
107.01422	0.2
109.02968	0.3
111.00882	0.3
113.02469	0.8
115.04088	0.2
119.03496	0.2
123.04533	0.6
125.02417	0.6
129.01953	0.8
135.04526	1.1
137.02460	0.4
137.09763	0.4
139.11285	0.2
141.01904	0.2
147.47633	0.2
149.00703	0.5
149.02380	0.2
149.99522	0.2
151.00354	1.7
155.10794	2.5
156.11118	1.2
157.11372	0.3
159.03049	0.3
161.02504	0.3
161.04494	0.5
163.06192	0.5
167.01788	0.3
167.58525	0.2
177.04057	1.5
178.04475	0.4
179.04504	0.3
183.10234	0.4
185.11684	0.3
192.99670	0.4
195.05101	0.3
199.09770	0.7
200.10136	0.4
205.07071	0.3
211.00691	0.7
226.05232	0.2
247.08183	0.3
259.57602	0.2
287.05579	4.4
288.05984	0.4
347.17047	0.9
359.05664	0.3
360.06342	0.2
360.13434	0.3
361.13867	0.5
375.05109	0.4
387.05185	1.1
388.05823	1.0
389.06427	0.4
415.04538	0.5
449.10773	0.5
451.63950	0.2
471.11588	0.2
479.21552	0.7
503.16333	0.4
538.18420	0.3
539.09760	4.8
539.18915	6.5
539.33582	0.7
540.10229	0.8
540.19104	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83580	0.2
59.01377	0.8
61.98829	2.0
63.99257	0.2
65.16106	0.2
69.03455	3.3
69.35276	0.3
69.43026	0.6
69.43440	2.2
71.01381	0.6
72.99297	0.3
73.02960	0.6
79.01895	0.4
81.03463	1.1
83.01403	1.4
85.02956	0.5
92.56222	0.3
95.01415	1.5
95.05041	0.3
97.02968	3.4
98.20209	1.0
101.02504	0.3
107.01415	1.3
108.02202	0.5
109.02974	0.4
109.06609	0.4
113.02480	0.4
121.03029	0.4
122.99982	0.4
123.00899	7.9
123.04549	0.7
124.01675	21.9
125.02462	48.4
126.02802	1.7
127.72379	0.2
132.16617	0.2
136.01680	0.4
137.02448	2.1
139.04068	0.3
149.02470	0.4
149.99597	28.2
151.00366	2.5
151.03966	0.4
152.01085	0.4
161.02435	0.3
163.11305	0.4
167.03551	1.4
168.00652	65.4
169.01404	8.5
181.12347	1.8
207.10353	0.4
225.11319	1.0
243.06609	0.9
244.06906	0.6
245.07149	0.5
263.12784	0.3
313.05716	1.1
314.37918	0.3
333.13593	0.3
372.67438	0.3
476.11734	0.3
495.18637	0.9
521.16656	1.5
522.17218	0.3
539.17603	100.0
540.17944	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	538.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07135	0.4
57.03454	1.2
59.01374	9.1
60.99279	0.5
61.98831	41.9
69.03468	0.5
70.87617	0.5
71.01388	6.3
72.99316	1.3
73.02953	2.7
73.18530	0.4
75.00883	2.1
78.95907	1.8
83.01363	0.9
85.02963	3.4
87.00888	1.9
88.98813	5.0
89.02460	6.9
93.03477	0.9
95.01364	0.5
96.96950	1.1
97.02959	1.1
97.06624	1.2
99.00912	0.9
101.02451	5.3
101.35450	0.5
109.02942	0.7
111.00906	1.1
112.08373	0.4
113.02473	2.7
116.92877	0.9
117.03495	1.1
119.03514	2.2
121.02900	0.5
123.04490	1.1
125.02422	0.9
129.01935	1.3
131.03519	1.9
132.02223	0.9
133.02968	21.0
134.03807	0.8
135.04538	12.5
136.04895	0.6
137.02496	1.2
137.09752	0.8
139.00351	0.6
141.05630	0.9
143.03578	1.0
147.02954	0.4
149.04599	0.6
151.06126	3.3
153.02066	0.5
153.09242	2.0
155.10802	4.2
161.02458	100.0
162.02794	4.9
162.70544	0.4
167.10770	0.6
170.33411	0.5
173.04530	0.6
177.04056	2.7
177.05525	1.1
179.03514	10.4
179.05292	0.6
179.05710	0.7
180.74603	0.5
191.05687	1.2
195.05096	1.2
199.09787	2.7
215.09274	1.0
221.04608	1.0
271.35980	0.5
281.06625	1.3
313.11249	0.7
359.13382	1.2
361.15054	1.5
377.11978	0.7
393.08197	0.6
475.14554	91.4
476.14847	12.8
538.18921	0.8
539.19971	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	538.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01379	13.4
60.99655	0.4
61.98829	87.6
63.02390	0.5
65.00323	1.3
70.85734	1.0
70.86102	1.1
71.01387	5.8
72.01708	0.6
72.99303	0.9
73.02952	2.1
77.29661	0.5
80.14400	0.5
83.01385	2.9
85.02971	3.2
87.00895	0.7
87.04551	0.6
88.98809	1.4
89.02456	3.6
91.01913	0.6
93.03448	2.3
95.01385	0.5
97.02974	0.6
99.00880	1.1
101.02454	5.1
107.01399	3.2
107.05045	0.8
108.02197	2.4
109.02979	3.1
111.00882	0.5
112.74082	0.6
113.02454	2.3
117.03519	1.1
119.05055	3.8
121.02964	3.3
123.00864	0.5
123.04546	3.0
125.02457	3.7
131.03532	0.5
133.06564	0.9
135.00865	0.6
137.02481	1.7
145.02974	5.3
148.01683	1.3
149.02463	1.1
149.04526	0.5
151.00372	13.9
151.04030	1.8
152.01015	1.1
155.10840	1.0
157.12389	0.6
159.04489	0.7
160.01657	1.5
161.02460	1.3
161.04733	1.1
161.06125	2.1
162.03209	1.8
163.00362	3.0
163.04039	3.8
164.01155	1.0
165.01912	0.6
167.03508	0.8
169.01476	1.6
173.04526	1.4
175.04030	1.8
177.05559	1.8
178.99872	7.0
179.05695	0.5
183.04509	1.0
185.11993	0.6
187.04002	1.3
190.99947	0.5
195.02946	3.1
199.03987	0.6
201.05618	0.6
205.05138	2.6
211.03996	1.8
226.02708	1.3
227.03517	3.3
227.13004	0.5
228.04074	0.5
229.05072	1.3
235.06094	2.8
243.03008	7.9
245.04510	1.9
254.02168	2.0
255.02966	22.9
256.03317	2.4
257.04498	0.6
265.07153	4.6
271.02454	47.1
272.02811	4.6
273.04028	1.3
283.02457	2.8
284.03223	0.7
285.03946	0.7
289.07343	0.6
299.02045	1.6
300.02750	78.5
301.03467	57.4
302.03906	5.4
325.09219	2.2
345.19131	0.8
346.19519	0.6
357.26468	1.0
373.25848	1.6
375.27582	6.5
376.27863	1.6
415.06537	1.1
433.07507	2.4
475.08792	100.0
476.09167	16.8
477.23251	0.6
478.23611	1.1
495.18964	0.7
521.20880	0.7
537.24982	0.5
537.32666	12.5
538.16260	1.5
538.22607	1.7
538.32953	5.5
539.18005	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	538.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45668	0.5
52.43026	0.4
53.98582	0.4
57.03435	1.2
59.01377	7.6
61.98830	35.0
63.02383	0.7
63.62078	0.4
65.00325	0.7
66.68095	0.5
68.64470	0.5
71.01382	6.6
71.45858	0.5
71.61881	0.4
71.62286	0.5
72.99310	1.0
73.02950	5.8
74.03284	0.6
83.01387	1.9
83.05019	1.0
85.02944	4.2
87.00883	1.7
88.98835	0.9
89.02460	3.0
91.01875	1.1
93.03471	1.2
93.48971	0.5
95.01395	0.8
97.02967	0.5
99.00874	1.5
101.02444	4.1
102.00597	0.4
107.01366	1.5
108.02211	2.4
109.02946	2.0
111.08139	0.7
113.02468	3.3
116.92797	0.7
119.03529	1.2
121.02954	2.2
122.06123	1.6
123.04562	1.0
125.02461	1.6
131.03514	1.5
133.02971	0.9
135.00861	1.1
137.02437	0.8
142.30002	0.5
145.02946	1.5
148.01672	0.9
151.00395	6.5
151.03970	0.6
151.12660	0.5
152.01155	1.4
153.01962	1.2
155.10753	1.1
159.03000	0.5
161.02550	2.5
161.04565	2.0
163.00397	1.5
163.03993	0.8
164.01031	0.5
165.12862	4.6
166.13187	2.5
168.00650	0.7
169.01306	0.7
173.04517	1.1
173.06000	0.5
175.03990	0.7
177.04068	0.7
177.05507	0.7
178.99861	4.7
179.05705	0.6
181.00356	0.5
181.07195	0.7
183.13930	7.8
184.14265	3.1
187.03978	1.2
187.07637	1.3
191.05626	0.5
192.00581	0.7
195.06810	0.5
197.00906	0.7
197.15433	0.6
199.04022	0.9
199.09683	0.6
200.17238	0.5
207.13864	0.6
208.14052	0.5
209.11870	0.6
226.02676	1.4
227.03470	2.3
227.12871	6.8
228.04007	0.6
228.13142	3.4
231.06569	0.6
243.00769	0.3
243.02979	9.7
244.03586	0.8
245.04509	1.0
251.12823	1.4
252.13145	0.8
254.02100	2.5
255.02965	23.6
256.03281	2.3
257.08011	0.8
269.14014	0.6
271.02454	50.8
272.02838	5.2
285.04050	1.4
299.02020	0.9
300.02747	100.0
301.03375	24.7
302.03793	2.5
310.20959	0.5
329.15985	1.5
330.16519	0.8
333.99078	0.6
345.19250	1.3
346.19659	1.0
375.27426	2.7
475.08798	97.0
476.09131	16.0
477.23453	2.4
478.23953	2.5
479.23764	0.6
495.18680	3.5
537.21899	2.8
537.33173	3.0
538.11542	0.9
538.22083	10.9
538.32855	1.8
539.18335	2.4
539.21552	2.9
541.11908	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3276
Annotation	Virenamide A
Peak:m/z	Relative Intensity
52.89063	0.2
55.01862	0.8
57.03447	1.5
58.00582	0.7
59.01377	16.6
60.01691	0.2
61.98828	11.9
65.00308	0.2
69.03446	0.7
69.39861	1.7
69.40281	0.5
71.01380	8.7
71.05018	0.3
72.01733	0.3
72.99301	1.2
73.02940	2.5
75.00883	0.5
81.03465	0.3
83.01395	2.1
85.02951	4.1
85.06598	0.2
86.03288	0.2
87.00880	1.0
87.85217	0.2
88.98798	0.5
89.02448	4.8
93.03458	3.5
95.01383	0.8
97.02955	0.7
97.06578	0.4
99.00884	0.9
101.02447	6.4
107.01395	0.5
108.02203	0.4
109.02963	0.7
111.00881	0.6
113.02454	3.0
115.71461	0.2
116.92860	0.4
117.03453	0.5
119.03493	1.7
119.05033	0.4
120.69398	0.2
121.02966	0.4
122.03711	0.3
123.00891	0.7
123.04511	0.6
123.08140	0.3
124.01681	2.3
125.02462	6.1
125.06097	0.2
125.09668	0.2
126.02759	0.2
133.03053	0.2
134.03751	0.2
135.04570	0.3
137.02457	5.8
137.06085	0.3
139.11304	0.4
141.09209	0.2
143.10777	0.2
145.02979	1.2
148.15535	0.2
149.00681	0.4
149.02466	0.3
149.99603	2.5
150.03209	0.2
151.00380	2.8
151.03951	0.3
152.03510	0.3
153.01898	0.2
155.10860	0.4
157.12340	1.0
160.01651	0.7
161.02405	0.6
161.04575	0.6
163.04010	0.5
165.01846	0.4
165.03955	0.3
165.07736	0.2
168.00638	4.6
169.01456	1.7
169.12376	0.4
173.04607	0.2
175.03984	0.6
176.04749	0.2
179.10689	0.3
181.07216	0.4
181.12321	0.3
183.10248	0.6
185.11806	0.8
187.07750	0.3
191.07144	0.2
193.01474	0.3
197.11697	0.3
215.07147	0.3
215.12901	0.6
225.11288	1.3
233.81433	0.2
243.38727	0.2
311.21918	0.3
329.23196	1.4
330.23502	0.2
339.25339	0.6
345.16904	0.3
355.25064	0.3
357.26431	5.1
358.26749	0.7
373.25940	4.2
373.30560	0.3
374.26178	0.6
375.27505	15.9
376.27829	2.5
402.05640	0.2
409.21478	0.2
477.23392	0.7
494.16876	0.3
519.15051	0.3
519.31781	2.0
520.31750	0.5
537.16022	10.7
537.32703	100.0
538.16187	2.4
538.33051	20.2
541.71027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03445	1.1
59.01376	13.1
59.16970	0.3
61.98827	21.6
66.91833	0.3
68.99822	0.9
69.03468	0.6
70.20752	1.2
71.01385	10.5
71.01764	0.6
71.62486	0.3
72.99313	1.2
73.02955	3.2
75.00890	0.8
78.95900	0.3
79.46535	0.3
81.03481	0.4
83.01386	2.5
83.05034	1.1
85.02946	4.9
87.00872	1.1
87.04520	0.6
87.21648	0.3
88.98807	0.6
89.02456	3.9
93.03465	35.1
94.03811	1.1
95.01376	1.6
96.99327	0.7
97.02944	0.4
99.00898	1.0
101.02454	7.0
108.02193	1.4
109.02958	0.6
111.00953	0.3
113.02466	3.5
113.97008	0.3
117.03483	1.3
119.03518	0.8
119.05030	1.5
121.02967	2.8
122.06143	0.5
123.00857	0.3
123.04540	0.7
124.01759	0.5
125.02418	1.6
133.02972	0.6
135.04553	1.0
136.01685	3.2
137.02457	96.0
138.02776	3.9
143.03513	0.5
145.02975	5.6
147.04559	0.6
149.02481	0.7
149.06039	0.8
149.99664	0.4
151.00404	0.7
151.04050	0.9
152.07251	0.5
159.13274	0.3
160.01709	0.5
161.02470	0.6
161.04625	0.6
163.04042	1.7
165.01917	0.5
167.03555	0.8
175.04016	0.4
177.02098	0.3
177.05518	0.3
179.03485	5.0
180.11139	0.4
191.03479	0.6
205.04854	0.3
207.56871	0.3
209.04636	0.6
221.04597	1.0
239.05534	2.2
243.19720	0.6
245.08253	0.4
253.86038	0.3
255.02768	0.5
271.02704	0.4
271.06018	0.3
281.06772	1.4
307.08142	0.4
363.92679	0.3
404.77954	0.4
405.25433	0.4
461.19275	0.8
505.17993	0.6
537.26971	100.0
538.27301	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	537.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
57.03437	1.4
59.01379	32.7
61.98831	34.4
68.99826	0.7
69.24591	3.8
69.25021	2.6
69.61579	0.6
70.86048	0.5
71.01388	10.7
72.99303	1.7
73.02934	1.8
73.08983	0.6
75.00870	0.6
78.95913	6.0
83.01397	2.4
83.05028	1.3
84.80453	0.6
85.02966	4.2
87.00862	1.3
87.04525	1.1
88.98790	1.0
89.02456	4.9
93.03467	36.8
94.03816	1.4
95.01401	1.9
96.96969	0.6
97.02970	0.6
97.06570	0.8
97.10938	0.6
101.02453	7.3
107.05073	0.6
108.02168	1.7
109.02994	1.3
111.08228	0.8
113.02464	5.1
118.05840	0.6
119.03551	1.3
119.05040	0.9
121.02979	16.9
121.03872	0.9
121.10256	0.9
122.03298	1.1
123.04520	1.2
125.02451	3.0
125.09766	0.9
135.04543	2.5
136.01700	4.1
137.02463	95.2
137.09744	1.0
138.02782	4.6
145.02968	2.2
147.04521	3.2
149.02452	2.4
151.00401	1.0
151.04036	2.1
152.99622	7.6
160.01773	0.7
161.02510	1.1
161.04602	1.7
163.04010	1.4
164.04855	1.5
165.01877	0.6
167.03481	0.8
171.00711	0.9
171.10324	1.3
175.00385	3.8
175.03993	1.1
176.00801	0.6
179.03531	11.4
179.05150	0.7
183.14012	0.7
185.11867	1.2
190.02730	10.0
191.03204	1.1
197.11876	0.9
203.07147	0.8
205.05054	12.6
206.05630	0.8
209.04535	1.3
209.11874	1.1
211.13373	8.7
223.06216	1.5
227.03360	0.9
239.05618	6.4
271.02429	0.8
271.06201	2.4
281.06729	1.9
289.07196	0.8
291.19681	7.6
292.20285	1.0
309.20819	0.8
375.21936	2.6
376.21362	0.7
440.13358	0.8
445.13165	0.8
473.12561	5.9
474.12888	1.0
475.14047	0.8
477.28754	2.8
501.12253	1.7
501.32770	1.1
519.13171	1.0
519.23907	1.1
537.27106	100.0
538.27405	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	537.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.3
57.03438	3.9
58.00582	4.8
59.01373	100.0
59.67266	1.1
60.01700	1.1
61.98825	10.5
68.99815	1.4
69.03451	3.0
69.30717	3.1
69.31134	7.4
71.01379	91.8
72.01723	1.7
72.99318	3.8
73.02946	23.9
75.00882	2.8
81.03446	2.5
83.01385	12.6
83.05038	1.5
85.02954	32.2
87.00883	7.6
87.04521	3.8
88.98813	3.1
89.02446	80.3
90.02763	1.2
93.03467	4.5
95.01401	8.3
97.02954	6.9
98.20670	1.8
99.00891	7.9
99.04521	6.4
101.02449	80.0
102.02796	3.0
108.02171	13.9
108.02835	1.8
109.02962	14.4
109.73920	1.0
111.00854	1.2
113.02457	41.2
119.03511	33.5
119.04337	2.1
121.02982	3.0
122.03748	62.6
123.00903	4.5
123.04540	71.6
124.01685	12.5
124.04901	3.5
125.02450	31.1
131.03484	8.2
131.05009	1.4
135.00893	2.3
137.02455	13.9
143.03508	9.8
144.03789	1.1
145.02951	1.3
149.02478	2.3
149.04572	3.8
149.06071	2.1
149.99605	15.8
151.04005	1.2
152.01166	1.7
159.02988	4.3
161.02495	1.3
161.04555	34.0
162.04904	1.6
163.11385	2.5
165.05594	1.3
167.03481	2.0
168.00650	30.2
169.01283	4.6
179.05612	88.3
180.05988	2.7
181.12346	21.7
182.12715	1.4
197.08354	1.2
207.10590	1.3
207.62315	1.0
221.06635	19.7
222.07100	1.3
225.11258	8.4
231.10292	1.6
243.06618	8.3
244.06943	1.4
263.12991	1.4
291.12402	3.3
309.13446	1.7
315.18393	1.7
323.10031	1.4
331.06702	2.9
375.27298	2.1
477.23380	93.2
478.23727	14.6
493.20792	35.0
494.21274	7.1
503.97208	1.1
537.16901	35.1
537.32294	17.6
538.17493	7.6
538.32709	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2466
Annotation	Kenusanone C
Peak:m/z	Relative Intensity
57.03445	1.5
58.00566	0.6
58.30203	0.6
59.01377	21.2
61.98829	28.2
69.03445	1.1
71.01374	2.3
71.56034	1.0
73.02935	1.8
78.95908	33.9
83.05022	2.1
85.02962	0.6
88.38708	0.7
88.98820	0.9
89.02444	0.9
93.03452	1.3
95.05022	0.7
96.96973	3.4
97.06588	0.6
101.02459	1.0
107.01353	1.3
109.06570	1.3
111.08169	9.8
113.02480	0.7
117.53674	0.7
119.05044	3.0
121.02926	1.3
125.02446	1.2
125.09732	0.8
127.73488	0.6
131.07196	0.6
137.02464	1.6
143.76775	0.7
149.62538	0.8
150.97987	1.0
151.00369	3.3
151.11266	1.0
152.99605	45.3
153.12833	1.8
153.99893	0.6
159.04448	0.6
169.12344	5.8
170.12645	0.6
171.00630	3.8
171.10214	1.1
175.04063	0.7
177.01920	0.8
179.10809	1.2
181.12335	1.1
183.13875	1.3
197.11839	46.1
198.12131	3.7
199.13383	1.8
209.11621	0.6
211.13390	5.1
227.03200	3.1
240.27832	0.6
245.04262	2.4
245.18822	0.8
263.20105	1.8
271.02866	1.4
271.06058	7.4
291.19690	4.7
309.20731	19.7
310.20990	1.7
312.22791	0.8
345.22412	0.9
445.19714	2.2
455.31644	1.8
473.11838	1.4
501.32190	4.5
502.32495	1.2
537.24585	100.0
538.24939	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	537.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59719	0.8
55.01878	3.5
57.03442	2.5
57.67835	1.0
58.00579	3.4
59.01376	53.0
60.17308	0.8
60.95148	0.8
61.98831	12.6
62.04236	1.0
62.67168	0.8
63.99263	0.9
68.71952	0.8
68.99802	1.1
69.03470	5.2
69.50142	7.3
71.01383	52.6
71.05035	0.8
72.01715	0.8
72.99301	2.6
73.02952	16.5
75.00867	2.4
81.03454	2.0
81.49111	0.7
83.01395	10.0
83.05040	2.4
85.02956	22.6
87.00890	3.0
87.04512	4.0
88.98804	3.0
89.02450	39.0
91.70704	0.8
93.03475	5.7
95.01385	6.6
95.05060	1.9
97.02957	7.1
98.17101	0.8
99.00890	3.8
99.04520	9.2
101.02447	39.9
102.02752	1.1
107.01412	1.1
108.02187	23.2
109.02975	20.3
109.06593	1.7
111.00861	2.0
111.04507	1.1
113.02467	24.2
113.06161	1.2
119.03519	15.8
119.05138	0.9
121.02938	4.9
121.06544	1.3
122.03753	100.0
123.00915	7.5
123.04546	92.1
123.05238	1.1
124.01682	21.4
124.04884	5.3
125.02460	64.1
126.02769	2.9
127.03979	1.1
130.04256	1.4
131.03519	4.0
131.05014	1.2
135.00917	2.4
135.03029	0.9
136.01680	1.4
137.02460	24.5
137.06065	2.6
139.04030	1.5
143.03523	4.6
145.02914	2.1
147.04541	1.5
149.02495	3.0
149.04666	1.8
149.06067	2.9
149.99600	31.4
151.00313	2.8
151.04080	1.4
152.01137	1.8
153.01901	1.2
159.02974	1.7
161.04567	16.1
161.09760	1.9
163.11282	3.8
164.01157	2.8
165.00224	1.6
165.05577	3.0
167.03491	1.9
168.00653	65.4
169.01453	8.2
177.05586	1.6
177.12885	1.1
179.05621	35.3
179.07201	1.8
179.10776	1.2
180.05925	1.2
181.01492	1.3
181.12349	33.6
181.13974	1.8
182.12700	2.4
190.42188	1.0
194.62447	0.9
197.91891	1.0
205.12270	1.3
207.10349	1.4
221.06627	7.5
225.11328	12.0
231.10396	1.7
243.06593	13.7
244.06932	0.9
249.11313	3.1
263.12881	1.2
267.12253	1.7
291.12415	4.6
309.13470	3.9
313.05600	1.9
315.18103	1.1
331.06717	3.8
345.19077	1.7
369.15582	1.2
373.25656	1.2
374.26297	1.3
375.27115	3.4
449.21918	1.1
454.52463	0.9
474.20404	1.0
475.19510	1.1
477.23413	50.7
478.23642	7.0
493.20816	51.7
494.21103	8.6
519.17804	1.6
536.31580	9.6
537.16632	86.5
537.32166	33.5
538.16840	17.0
538.32544	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
58.00593	0.6
59.01375	15.9
60.01714	0.8
61.95141	0.5
61.98827	23.3
65.00304	0.6
69.03436	0.9
69.45750	3.7
69.46164	0.7
71.01382	1.7
72.39158	0.5
72.99305	0.8
73.02942	1.2
78.95909	33.2
81.03468	0.5
83.05025	1.3
85.02921	0.9
87.00916	0.5
88.98801	0.9
89.02435	1.1
93.03441	1.0
96.96034	0.6
96.96978	2.5
97.06562	0.8
98.20612	0.9
101.02433	0.9
102.47633	0.5
107.01397	0.8
109.02951	0.6
109.06575	0.6
111.08169	9.2
112.08502	0.5
113.02444	0.9
119.05032	1.5
121.02995	1.2
125.02460	1.2
127.07609	1.1
135.04509	0.8
137.02443	1.2
145.02936	0.8
150.97984	0.8
151.00369	2.7
151.11311	0.8
152.99602	45.9
153.12840	1.1
153.99901	1.1
159.69942	0.5
169.11026	0.6
169.12364	6.1
171.00635	3.7
175.03938	0.7
179.10760	0.8
181.12260	1.0
183.13902	0.7
193.12440	0.5
197.11832	44.9
198.12183	3.5
199.13441	1.4
211.13383	6.2
227.03241	3.8
227.12990	0.6
245.04274	2.2
263.20129	2.0
264.20471	0.7
265.18149	1.2
271.03159	0.8
271.06042	4.9
272.06476	1.0
273.18527	0.7
291.19611	4.3
292.19894	0.6
300.02618	0.6
309.17108	1.0
309.20700	19.0
310.21133	2.5
345.22672	0.6
445.20020	1.3
455.31589	2.6
463.20425	0.5
473.11908	0.5
477.26468	0.6
501.32129	6.7
502.32346	1.4
537.24585	100.0
538.24933	17.1
538.33087	1.1
554.99072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.01564	0.6
57.03444	4.3
59.01105	0.8
59.01377	10.9
61.98806	2.3
68.99780	0.6
69.03455	9.1
69.55910	2.7
69.56326	1.5
71.01380	12.5
72.99297	1.9
73.02946	2.6
75.00875	31.9
76.32011	0.5
81.03455	0.5
83.01385	2.2
84.02148	1.1
85.02943	9.5
87.00878	7.8
87.04507	2.0
88.59799	0.6
88.98802	1.1
89.02446	2.8
91.01900	2.8
93.03423	0.6
95.01385	1.2
96.48009	0.5
97.02381	0.6
97.02956	9.3
99.00896	4.3
101.02451	2.6
103.83495	0.5
108.94201	0.6
109.02967	0.7
111.00827	1.5
111.04452	0.6
113.02449	1.8
115.04053	0.8
129.01091	0.7
129.01952	9.2
135.00870	2.0
135.08150	1.0
137.09717	8.3
139.11320	1.3
141.01941	6.3
153.01918	1.4
155.10791	56.1
156.11128	2.5
159.03032	3.0
169.12347	1.6
177.04051	27.6
178.04376	1.0
178.99826	1.6
181.08728	2.8
181.12215	1.3
183.10294	2.9
195.05031	0.5
199.09764	21.9
200.10089	2.0
206.26869	0.6
213.11324	1.5
215.30882	0.5
225.11259	1.2
241.10806	4.1
243.12355	3.0
285.13373	1.0
287.05646	0.8
292.51382	0.6
341.12369	1.8
359.13492	15.8
360.13718	1.3
377.14432	1.5
405.18188	0.7
499.31403	0.6
501.16119	8.7
502.16476	1.3
519.16516	0.7
537.18073	100.0
538.18463	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	537.1606
Annotation	Fraxamoside
Peak:m/z	Relative Intensity
52.04111	0.4
59.01373	4.5
60.99311	0.6
61.98829	18.6
63.26811	0.5
69.03456	4.4
69.30212	1.5
69.30630	3.6
71.01376	4.5
73.02950	1.1
75.00877	3.2
76.23290	0.4
79.01940	0.6
81.03454	2.0
83.01403	2.3
85.02954	1.4
86.72752	0.5
87.00906	0.5
88.98815	4.2
89.02470	2.5
91.01913	1.1
93.03481	0.9
95.01413	1.4
97.02951	4.2
98.20121	2.0
99.00881	0.6
101.02452	1.7
107.01411	1.8
108.02197	3.5
109.02953	1.6
113.02454	1.4
117.03478	1.3
119.05024	1.3
121.02947	1.4
123.00907	8.1
123.04540	1.1
124.01680	19.8
125.02461	65.3
126.02789	2.2
134.03773	1.0
135.00920	3.6
135.04510	0.6
135.11746	0.6
136.01640	1.0
137.02460	4.7
145.02962	5.3
146.03210	0.4
149.02463	0.9
149.99609	31.6
151.00356	3.6
151.04037	0.5
152.01175	6.2
153.01920	1.2
160.01651	3.8
161.02335	1.4
161.04579	0.6
161.09776	0.8
163.00317	0.5
163.04027	1.4
164.01158	1.7
167.03484	1.4
168.00662	61.0
169.01419	8.2
175.04030	5.2
176.04457	0.7
179.03555	0.7
179.10806	1.0
191.03625	0.5
191.05533	0.6
191.07188	0.6
193.05095	1.3
205.04962	0.8
242.05765	0.6
243.06609	14.4
244.06912	1.3
271.06070	0.6
284.02805	0.5
285.03729	0.7
307.08231	1.3
313.05667	1.3
331.06671	4.0
357.26181	0.6
375.27310	0.5
405.12265	1.0
436.48218	0.5
474.10791	0.6
493.17264	1.7
501.13757	2.6
502.13754	0.7
519.14612	0.8
536.31305	1.0
537.16040	100.0
538.16333	18.4
538.24847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
57.03431	1.4
59.01381	10.7
60.99277	0.8
61.98830	20.2
63.84320	0.6
64.78139	0.5
65.00300	0.8
69.03461	4.8
71.01383	7.9
73.02946	3.7
75.00849	0.7
81.03460	1.3
81.96491	0.6
83.01387	3.5
83.05019	0.7
85.02970	4.2
87.00877	0.9
87.04535	0.6
88.98822	7.2
89.02451	4.3
93.03452	2.5
95.01379	2.5
95.05045	2.7
97.02965	3.6
99.04513	0.9
101.02446	5.0
103.04013	0.8
107.01410	3.3
107.05024	1.2
108.02165	2.4
109.02940	2.1
109.06571	1.2
111.04544	0.8
113.02467	3.0
117.03473	6.0
119.03519	0.9
119.05047	6.4
121.02990	2.6
121.06531	1.0
121.62193	0.6
122.03785	4.3
123.00140	0.7
123.00896	9.4
123.04531	5.5
123.37022	0.6
124.01689	21.2
125.02467	66.7
126.02756	2.1
133.02914	0.6
133.06537	0.6
134.03755	1.5
135.00861	1.0
136.01642	1.0
137.02464	6.3
139.03996	0.6
141.01782	0.5
141.42749	0.7
145.02975	23.0
146.03242	1.5
147.04501	0.7
149.02408	1.0
149.06096	1.3
149.99605	30.3
151.00414	7.2
151.03940	1.1
152.01082	1.5
153.01903	1.0
153.61057	0.6
155.10709	0.9
159.08167	1.1
160.01593	2.1
161.04485	1.9
161.05843	0.6
161.09665	1.4
163.04062	3.9
163.11281	7.3
164.01093	1.8
165.00056	1.3
165.05521	0.6
166.43811	0.6
167.03419	0.9
168.00664	65.4
169.01416	10.0
175.03941	2.3
176.04761	0.6
177.01886	1.4
177.03801	0.5
177.05635	0.6
179.10747	1.1
181.12337	1.2
187.04024	1.0
191.03482	1.2
191.05376	0.6
193.01379	1.4
193.05028	2.4
203.10674	0.6
207.10269	4.1
219.50359	0.6
225.11343	5.8
235.05977	0.6
271.03082	0.7
271.06091	12.4
291.12274	0.9
313.05539	2.6
330.01602	0.5
331.06696	3.9
337.09082	1.9
341.93201	0.6
374.26093	0.7
375.26877	1.2
437.67950	0.7
477.30365	0.9
493.21082	6.6
494.20691	1.9
501.13922	7.1
502.14032	1.3
519.19092	0.8
536.31689	9.0
537.15771	100.0
537.32184	13.2
538.16089	17.6
538.32294	1.2
557.83948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1243
Annotation	6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
58.47282	0.4
59.01373	1.2
59.93993	0.5
61.98832	5.2
69.03452	2.6
69.45905	1.5
69.46323	2.2
71.01382	1.2
75.00873	0.6
81.03471	1.3
83.01402	1.0
85.02942	0.7
95.01406	1.6
97.02955	2.3
97.58462	0.4
98.16554	0.5
101.02425	0.7
103.00385	0.7
107.01384	1.5
108.02209	0.8
109.02990	0.9
121.02989	1.2
123.00902	6.5
124.00751	0.8
124.01677	20.7
125.02463	40.2
126.02820	1.7
136.01689	0.5
137.02460	2.2
139.04030	0.7
149.02435	4.7
149.99599	36.1
151.00175	2.6
151.03960	0.5
152.01106	0.6
153.02069	0.5
164.04796	3.7
165.01982	0.4
166.99796	1.1
167.03482	0.8
168.00652	58.5
169.01358	5.2
175.00371	2.2
190.02734	6.8
191.03276	1.0
193.01382	0.7
199.99013	0.4
205.05057	8.0
206.05457	0.5
217.01404	0.6
223.06128	2.8
313.05676	3.6
331.06689	13.9
332.07047	1.0
341.69519	0.5
444.83261	0.5
462.27075	0.4
519.11304	1.4
537.12427	100.0
537.30981	2.1
537.75891	0.5
538.12738	16.1
563.43091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.59663	0.1
61.98833	1.1
63.02392	3.1
64.88914	0.1
64.90492	0.1
65.00319	7.2
66.00648	0.1
68.99806	0.2
69.28346	0.8
69.28762	0.4
71.01376	0.2
78.95906	0.8
81.03476	0.2
83.01388	4.4
84.01726	0.1
89.02487	0.1
91.01907	0.1
93.03464	8.3
94.03828	0.2
96.96940	0.1
97.02962	0.3
98.20689	0.2
101.02427	0.2
105.03509	0.1
107.01395	13.2
108.01640	0.2
108.02260	0.2
108.99358	0.2
109.02943	0.2
111.08157	0.3
117.03477	0.1
119.05037	32.0
120.05373	1.6
121.02957	1.0
123.00894	0.2
123.04485	0.1
125.02470	1.2
131.01398	0.3
133.02950	0.2
135.00850	0.1
135.04503	0.2
136.01704	0.3
137.02455	0.4
143.05022	0.2
145.02977	0.8
149.02487	0.3
151.00380	40.3
152.00688	1.4
152.99643	0.9
161.06094	0.4
164.01147	0.4
165.01930	2.2
166.02316	0.2
167.03490	0.4
169.01440	1.8
169.12427	0.1
175.00392	0.8
177.01942	6.1
178.02306	0.3
179.03664	0.1
185.06036	0.5
187.03993	0.6
189.05591	0.1
190.02721	0.1
193.01427	0.7
196.00179	0.1
197.11777	0.8
205.04962	0.1
211.13409	0.2
219.02991	0.2
225.14870	0.1
227.07153	0.8
229.04970	0.3
253.05046	0.2
271.06079	100.0
272.06412	9.2
291.19586	0.2
295.06149	0.4
309.20715	0.5
313.07175	1.5
314.07523	0.2
469.48053	0.1
473.12375	0.2
537.13953	0.2
537.24701	2.5
537.32947	0.2
538.24854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81951	0.1
53.86692	0.1
59.01384	0.6
61.98830	100.0
62.22190	0.1
62.98528	0.2
69.81541	0.6
70.25774	0.1
75.00880	0.1
83.01367	0.2
85.02977	0.1
87.00876	0.1
88.98823	0.5
89.02488	0.2
90.31610	0.1
90.53542	0.1
90.93711	0.1
93.03496	0.2
95.01437	0.2
97.02988	0.2
107.01414	0.2
121.02976	1.2
121.62342	0.1
122.03322	0.4
123.00916	0.5
124.01691	1.1
125.02460	3.7
135.00931	0.2
137.02458	0.4
149.99619	1.7
151.00412	0.3
160.01709	0.1
163.00423	0.3
164.01164	0.2
168.00659	3.2
169.01410	0.4
174.15192	0.1
175.04022	0.2
185.06166	0.1
187.04019	0.2
227.03491	6.9
227.07126	0.3
228.03827	0.5
228.07469	0.2
229.05042	0.8
239.03392	0.1
240.04298	0.2
241.04932	0.2
243.06628	0.3
246.08905	0.1
255.02983	9.3
256.03522	1.4
257.04373	0.7
284.03253	12.0
285.03992	10.2
286.04352	0.8
301.06018	0.1
473.10880	20.0
474.11276	3.0
535.31580	0.7
536.31787	0.2
537.16083	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	537.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51574	0.3
57.03441	0.6
59.01376	5.5
60.99303	15.4
61.98833	2.2
65.00329	0.5
67.30640	0.4
71.01382	4.0
72.99303	0.4
73.02945	1.5
83.01386	0.6
85.02950	1.3
87.00902	0.6
88.15956	0.4
88.98811	100.0
89.02441	1.8
89.99162	1.0
91.01897	1.3
93.03451	0.8
99.00881	0.5
101.02436	2.0
107.01386	0.8
108.02173	1.9
109.02974	3.9
113.02465	1.0
116.92879	0.6
119.03514	0.5
121.02953	1.1
123.04533	0.4
125.02479	0.8
131.03506	0.3
135.00883	2.3
137.02452	0.8
137.09767	0.4
138.25606	0.3
145.02945	0.5
148.01654	0.4
151.00378	6.1
152.01221	1.9
153.01958	2.7
155.10796	0.9
161.02438	0.5
161.04503	0.4
163.00378	1.5
163.04027	0.6
164.01230	0.5
165.03941	0.3
167.03610	0.4
177.04085	0.5
178.99867	3.3
179.07127	0.5
181.12369	0.4
183.10237	0.4
201.11243	0.5
225.11337	0.6
226.11635	0.4
227.03455	1.0
229.05168	0.4
243.02983	2.5
245.04610	0.9
254.02115	0.7
255.00494	0.3
255.02950	7.8
255.05675	0.4
256.03500	0.6
271.02457	15.4
272.02869	1.8
273.03848	0.5
283.02557	1.0
299.01965	0.4
300.02750	35.6
301.03497	25.1
302.03802	2.0
315.07474	0.3
325.11514	0.6
375.27463	1.1
389.25385	0.9
429.10458	3.5
447.09311	62.9
448.09650	8.9
536.20197	0.4
537.15607	1.6
537.21509	2.1
537.33203	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	535.2911
Annotation	Desacylkondurangogenin C
Peak:m/z	Relative Intensity
57.03448	5.9
59.01377	37.3
59.02423	1.2
61.98829	98.3
63.99261	1.0
65.00298	1.2
69.35332	4.2
69.35757	6.3
71.01374	2.5
71.05022	1.2
72.99319	3.1
73.02943	3.6
78.95914	6.2
81.03476	1.3
83.01370	1.6
83.05025	4.9
85.02970	2.3
89.02470	1.5
93.03493	3.0
97.02969	1.2
97.06617	2.5
99.04511	2.6
101.01802	1.2
101.02452	2.2
107.01384	3.2
107.05006	1.3
113.02473	1.2
116.20210	1.0
119.05048	4.5
121.02933	1.4
121.06635	2.7
121.48373	0.9
123.04536	2.0
123.08191	2.1
125.02476	2.2
125.09735	3.5
132.94347	1.2
135.04559	7.4
137.02444	3.3
137.06105	2.4
138.37022	1.2
149.06145	2.1
149.09676	1.5
151.00421	14.7
151.11316	1.0
152.99571	6.9
165.12840	3.3
171.11783	1.1
190.99413	1.3
191.14435	1.1
209.11836	2.6
271.06070	13.1
287.05606	4.9
289.18155	2.4
307.19174	1.2
323.23676	2.1
328.71777	1.1
335.23596	1.2
341.24811	3.5
351.26965	22.3
351.31161	1.4
352.27139	3.2
353.25037	1.6
357.24438	2.1
365.24435	1.3
369.28088	16.7
370.28418	2.5
387.28955	3.0
395.25958	8.8
396.26096	1.7
413.26987	14.7
414.27283	2.7
431.28009	8.7
437.29678	1.2
457.25696	8.4
458.26385	1.7
475.26968	100.0
476.27310	16.2
489.26782	1.6
493.28207	5.6
535.22437	5.2
535.29584	62.4
536.28851	13.5
539.26227	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3118
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01857	0.9
57.03450	1.3
58.00585	0.6
59.01375	12.6
60.01683	0.3
61.98828	9.1
69.03435	0.3
69.51237	2.1
70.13430	0.3
71.01382	7.2
72.99319	0.7
73.02940	2.1
73.40885	0.3
83.01382	1.3
84.26020	0.3
85.02955	3.1
85.17866	0.3
87.00883	1.5
89.02449	3.5
93.03488	0.3
95.01340	0.4
99.00894	0.6
99.04498	0.3
101.02450	4.8
108.02141	0.3
109.02998	0.4
111.00888	0.5
111.08156	0.4
113.02465	2.5
116.92865	0.4
119.03489	0.8
119.05053	0.3
122.03747	1.3
123.04552	1.7
123.08124	0.6
125.09741	1.2
127.11305	0.5
137.02449	0.6
137.09723	1.2
145.02937	1.1
153.09261	0.5
155.10799	1.4
161.04620	0.5
161.09709	0.4
169.02628	0.3
169.12404	0.4
171.10269	4.6
179.10751	0.7
183.13762	0.3
185.11806	0.4
225.03014	0.2
230.15097	0.4
271.06088	0.7
327.21893	0.6
327.25296	0.3
355.24857	3.8
356.25354	0.6
371.24283	0.4
373.25934	20.2
374.26318	2.6
375.27658	0.3
387.28079	0.4
475.29321	0.3
517.30176	2.0
535.31171	100.0
536.31543	17.8
536.38068	0.3
541.90411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09985	0.2
55.01874	1.5
57.03445	2.2
58.00594	5.9
59.01375	100.0
59.97251	0.2
60.01708	0.9
60.99302	0.4
61.98828	23.3
68.99823	0.3
69.03457	1.0
71.01381	73.3
71.58683	0.5
71.59066	0.3
72.01724	1.1
72.99310	7.3
73.02949	3.8
74.03276	0.2
75.00877	2.8
76.03317	0.2
78.95872	0.3
81.03490	0.3
83.01395	3.5
84.02190	0.5
85.02953	15.2
86.03309	0.5
87.00875	4.7
87.04500	0.3
88.98818	1.1
89.02448	92.0
90.02797	1.6
93.03466	1.0
95.01397	5.3
97.02972	1.1
99.00903	1.4
99.04558	0.5
101.02451	41.8
102.02802	0.9
103.00381	1.2
107.01401	0.5
109.02931	0.5
111.00895	0.8
111.04527	0.4
113.02457	29.0
114.02800	1.1
115.04049	0.4
116.92898	0.6
117.01985	0.3
117.03498	0.5
119.03513	40.2
119.04982	1.1
120.03857	0.8
121.02966	0.5
122.06124	0.4
123.00900	0.5
123.04549	0.6
125.02457	2.8
129.01933	0.9
131.03513	5.3
132.04602	0.3
133.01512	0.4
134.03763	0.6
135.00877	2.2
135.02989	0.3
135.04524	0.5
135.11798	0.4
136.10905	0.3
137.02463	0.6
141.01947	0.3
143.03522	6.4
143.04671	0.5
145.02969	2.8
147.04616	0.3
149.04567	3.7
151.00349	0.6
151.04013	0.7
152.01231	0.4
153.01889	0.4
153.09215	2.5
155.10820	0.5
159.02991	0.9
159.04485	0.2
160.01697	0.4
161.02576	1.4
161.04568	8.1
162.04836	0.2
163.04047	0.9
165.00258	0.4
165.04137	0.3
165.09245	0.8
166.02737	0.9
167.03517	3.7
168.67104	0.3
173.04533	0.7
175.02533	0.3
175.03995	0.4
177.01942	0.3
177.04062	1.4
177.05455	0.3
179.05621	18.5
179.10715	1.4
180.05942	0.6
181.05145	0.3
181.07185	0.6
183.10239	0.3
191.05627	1.1
192.05713	0.3
195.05122	0.6
195.36333	0.3
197.06155	0.4
197.08168	0.8
197.11830	0.4
223.09659	0.3
238.32275	0.3
241.10822	0.4
251.07088	0.5
280.07520	0.3
288.22830	0.3
311.10291	0.4
311.38986	0.3
313.10562	0.5
329.08783	0.5
351.08286	0.3
355.21289	1.6
357.09344	3.6
358.10278	0.4
365.62219	0.3
373.13098	0.5
373.22220	0.7
387.16583	0.6
430.15469	0.4
473.16580	0.7
475.14633	2.8
475.21057	0.6
476.14777	0.6
491.17474	0.5
503.16833	1.3
535.16626	2.8
535.27545	56.0
536.14655	1.0
536.27942	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	535.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
59.01377	35.6
61.98827	12.3
69.03454	1.0
71.01375	1.6
71.05021	0.9
72.99306	1.5
75.00874	15.7
78.57063	0.5
78.95905	35.2
80.02680	0.9
81.03461	1.9
83.01381	3.6
83.05024	2.0
83.66532	0.5
85.02956	0.6
87.00894	0.8
93.03461	0.8
95.05025	1.5
96.96961	3.2
97.02948	2.1
97.06601	3.9
106.04269	0.7
109.06596	1.3
110.03764	0.7
121.02943	1.1
121.06602	1.0
123.04538	3.6
123.08160	1.1
125.06073	0.6
125.09735	5.0
127.07614	0.7
135.08147	1.5
137.02412	0.7
137.06148	0.7
137.09741	3.1
141.12837	1.3
149.06082	1.2
149.09792	0.7
150.98044	1.0
151.11313	0.6
152.99596	46.9
153.99937	0.8
154.88321	0.5
161.09700	1.0
163.07684	0.6
163.11320	5.6
165.12834	1.5
171.00644	3.5
171.10263	1.2
179.10730	0.8
181.12283	2.0
185.11806	4.9
188.12131	0.6
189.12863	0.7
191.10770	1.3
191.14391	3.7
197.11844	0.8
202.13834	0.7
207.10240	3.8
209.11838	16.3
210.12221	0.8
211.13322	1.7
217.16023	0.7
225.11305	2.6
227.03197	4.1
227.83800	0.5
245.04282	1.9
245.19090	6.8
245.82532	0.5
246.19438	1.2
263.19931	0.9
271.16733	0.8
289.18051	16.6
290.18359	1.6
307.19144	14.4
308.19537	1.7
331.18964	0.7
421.29709	0.6
443.18307	1.7
459.31244	5.2
460.31528	1.1
475.29526	1.8
501.31940	0.6
502.99762	0.6
517.64282	0.6
534.31311	0.9
535.23053	100.0
535.32288	25.9
536.23297	18.8
536.32599	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	535.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12606	0.2
55.01874	0.9
57.03447	2.5
58.00598	1.0
59.01376	36.7
60.01716	0.6
60.99297	0.9
61.98829	11.6
66.97658	0.2
69.03448	0.6
71.01381	13.7
71.05013	2.5
71.56815	0.5
72.99326	1.1
73.02950	5.9
74.23677	0.3
74.99134	0.5
75.00882	1.1
83.01387	2.3
83.01828	0.3
83.05038	0.4
84.51534	0.3
85.02955	5.4
85.06579	0.4
87.00894	1.4
87.04544	1.3
88.98813	5.0
89.02446	4.5
91.01900	0.7
93.03481	2.4
95.01415	1.5
95.05032	0.4
96.96043	0.6
97.02975	0.8
97.06600	0.5
99.00885	1.8
99.04534	0.5
99.29063	0.3
101.02448	9.9
108.02193	0.7
109.02943	0.4
109.06609	0.3
111.00925	0.7
111.08202	0.3
113.02451	4.2
116.92900	0.8
117.03516	0.6
118.24708	0.3
119.03561	1.3
119.05048	2.7
121.02984	0.7
122.03773	0.7
123.00903	1.3
123.04552	1.1
124.01675	1.9
125.02461	4.7
125.06094	0.3
129.01967	0.5
129.05638	0.5
131.03517	0.4
135.04535	1.4
135.08171	0.3
137.02475	2.6
137.06088	0.4
137.09755	0.7
139.11305	16.8
140.11670	0.7
143.03557	0.4
145.02974	2.4
147.04582	0.8
147.06645	6.9
149.02501	0.4
149.04593	0.6
149.99585	1.7
151.00424	1.9
151.03989	0.5
151.11246	0.6
152.01097	0.3
155.10811	1.0
159.03041	0.9
160.01662	0.7
161.02473	0.5
161.04597	3.0
161.05931	0.5
163.04047	1.6
163.11328	1.1
165.01978	0.7
165.09210	1.2
166.99895	1.5
167.10742	0.6
168.00645	3.4
169.01445	0.6
169.12350	2.2
171.10284	0.4
171.13922	0.6
174.97658	0.3
175.03986	0.5
177.01973	0.4
177.04085	0.3
178.99931	0.8
179.05656	0.7
179.10788	1.7
181.12349	9.3
182.12761	0.4
183.10271	20.9
184.10649	1.3
193.05060	0.5
195.13953	1.1
197.11899	1.6
199.13365	4.3
205.05045	0.6
206.48386	0.3
207.10271	0.5
211.07689	0.3
225.11313	14.5
226.06534	0.3
226.11658	1.0
235.06174	0.4
239.13000	0.7
243.12355	27.6
244.12578	1.8
248.50841	0.3
257.13956	1.0
264.94388	0.3
265.07260	0.8
267.12338	1.1
271.05994	0.5
285.04181	0.5
285.13419	13.4
286.13907	1.6
287.05734	0.8
289.07150	1.1
309.11856	0.5
313.16696	1.8
325.09058	0.3
345.15527	2.1
355.24957	3.7
356.25244	0.5
371.24329	0.6
373.13379	0.4
373.26010	3.2
374.26514	0.4
387.16565	0.3
389.14438	0.3
405.17624	1.0
447.20255	0.3
475.21844	12.0
475.28235	0.5
476.22171	1.5
517.22809	1.6
517.30475	0.7
535.15326	5.6
535.23907	100.0
535.31287	15.5
536.15576	1.0
536.24261	15.4
536.31665	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	535.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
57.03448	1.5
58.00584	1.5
59.01376	38.0
60.99281	0.4
61.98827	23.3
67.42786	0.4
68.99844	0.4
69.03458	1.1
69.28799	4.3
71.01379	19.4
72.99317	2.5
73.02940	2.4
75.00871	6.1
77.22787	0.4
83.01392	1.7
85.02953	7.5
87.00887	1.7
88.98792	0.4
89.02448	20.0
90.02800	0.4
93.03468	0.8
95.01404	1.6
96.56341	0.4
97.02972	0.9
99.00899	2.0
101.02450	12.2
103.00362	0.4
104.05085	3.0
106.06649	2.3
107.05031	0.7
108.02213	0.5
108.04557	4.0
109.02981	0.5
111.00888	1.1
113.02452	7.8
115.03992	0.5
116.92889	0.6
117.03475	1.4
119.03508	6.2
119.04991	0.5
121.02958	5.9
122.06147	1.2
129.01935	2.2
131.03581	0.9
132.04564	40.0
133.04901	1.6
134.03790	1.6
134.06133	25.9
135.04555	1.9
135.06462	1.3
135.11835	0.9
137.02417	0.7
141.01970	0.8
143.03494	0.7
144.04584	1.4
145.02969	4.4
147.03061	0.6
147.04541	0.7
148.04079	1.8
149.04562	1.1
149.06111	0.6
150.05608	0.6
151.04016	1.0
152.07188	2.7
153.09210	6.2
154.09608	0.7
155.10843	0.7
158.02484	1.3
158.06108	4.9
159.03018	1.5
160.01715	0.9
160.04051	1.3
161.02463	2.3
161.04530	1.2
163.03979	0.5
165.00157	2.3
165.04269	0.4
168.00592	0.6
173.04494	0.6
174.02036	0.6
174.05553	0.5
175.03978	2.0
176.03522	7.8
176.04909	0.3
177.04068	3.5
179.03508	1.0
179.05603	1.1
179.10762	2.7
181.07191	1.3
188.03546	3.1
190.05093	5.3
191.05592	1.7
191.07143	0.7
193.04999	1.3
195.05066	1.3
197.08194	1.3
202.05095	0.4
208.06158	1.1
209.11887	0.8
213.09308	0.5
223.12650	0.5
227.12033	0.5
235.06099	1.3
235.08405	0.4
251.11879	4.8
252.12291	0.8
253.09924	0.9
255.11482	1.9
267.11453	0.5
279.11365	18.9
280.11707	2.2
295.10931	4.0
296.11203	0.5
297.12613	0.8
314.12393	3.6
323.07404	0.7
323.10443	10.2
324.10739	1.6
357.11862	2.8
373.12915	1.9
387.16684	2.2
430.15054	0.5
431.18320	0.9
435.17743	5.6
436.17972	0.6
438.35162	0.4
445.11880	0.5
448.16260	0.6
459.17712	15.6
460.18243	2.6
473.15610	0.5
475.16504	3.2
493.22980	0.8
499.14429	0.4
503.16663	100.0
504.16980	18.2
517.10876	0.8
517.18250	7.4
518.18585	1.4
535.19281	19.0
536.14063	3.3
536.19885	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	535.1818
Annotation	1-Hydroxypinoresinol 1-glucoside
Peak:m/z	Relative Intensity
55.01878	1.0
57.03443	2.6
58.00581	1.1
59.01376	30.0
61.98828	38.9
69.03452	2.4
70.72041	2.3
71.01383	24.3
72.04533	0.7
72.99323	3.1
73.02952	9.2
75.00881	5.6
83.01401	2.6
83.16693	1.0
85.02966	8.5
87.00879	4.9
89.02461	17.9
93.03500	3.2
95.01422	1.1
97.02946	1.6
99.00895	3.5
101.02452	15.2
108.02181	3.2
109.02963	31.0
110.03281	1.2
111.00896	1.5
113.02466	12.1
116.92875	3.6
117.03498	1.5
119.03510	7.8
119.05074	0.8
121.02990	2.5
122.03801	1.6
123.00915	2.9
123.04548	5.1
124.01728	1.2
125.02474	1.9
129.01965	3.4
131.03497	3.1
133.02972	1.2
134.03790	4.7
135.04553	2.0
135.11807	3.1
136.01682	15.3
137.02425	3.1
143.03520	2.3
145.02980	7.0
146.03754	7.7
147.02940	1.1
147.04500	1.2
148.01700	5.4
149.02458	4.0
149.04605	1.8
149.06102	4.0
150.03204	5.7
151.00470	1.0
151.04024	24.5
152.01215	1.0
152.04453	1.3
153.01981	1.2
153.05589	6.5
153.09216	4.9
155.10785	1.4
156.78709	0.8
159.03021	1.4
159.08084	1.0
160.01704	1.3
161.02510	4.9
161.04572	5.8
161.06099	3.5
162.03238	2.7
163.04027	18.2
163.06116	1.2
164.01160	9.1
164.04826	7.7
165.01926	6.4
165.04123	1.9
165.05563	3.1
166.02731	21.9
167.03484	3.6
173.04588	1.9
174.03296	1.4
177.01985	1.4
177.04076	2.2
177.05544	1.8
178.02705	6.2
179.03510	3.3
179.05618	9.8
179.07175	18.5
179.10762	12.4
180.07423	1.0
181.05081	100.0
181.07048	3.0
182.05411	5.4
191.03625	1.2
191.05672	2.9
192.04282	2.6
193.05069	26.0
195.05124	1.7
195.08105	1.7
197.06120	3.5
197.08035	1.0
198.06349	0.9
205.04997	1.2
207.06650	3.0
211.04189	1.6
211.06123	25.4
212.06477	1.5
213.09392	1.1
217.80212	0.8
221.06732	2.6
223.09767	1.9
249.06114	2.2
254.05827	8.4
255.06534	2.3
267.07187	1.3
268.07410	1.7
269.08145	20.1
270.08890	5.7
271.02460	1.5
283.09836	2.8
284.10461	5.6
285.11169	5.2
298.08508	4.3
299.09018	1.3
300.02814	3.3
310.08505	2.6
313.10818	13.6
314.11221	1.2
328.09558	4.3
337.07877	1.3
343.11865	57.3
344.12228	7.2
355.11664	1.0
357.11823	2.7
361.09229	4.4
373.12924	80.8
374.13272	11.0
387.16565	6.0
407.16620	0.9
463.08743	3.4
475.21725	4.1
493.22806	1.7
535.02808	1.2
535.20367	10.0
535.28406	1.3
536.13855	2.4
536.20831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
55.89559	0.6
57.03445	6.6
58.00595	1.3
59.01089	1.2
59.01377	20.2
61.22101	0.6
61.55866	0.6
61.98830	23.9
63.21843	0.6
67.01892	1.1
68.99815	1.3
69.03459	6.7
69.43415	6.4
71.01384	21.9
72.99315	4.2
73.02950	5.1
74.30833	0.5
75.00875	39.6
75.92391	0.5
77.79442	0.6
80.05069	0.7
83.01396	4.7
84.02182	1.1
85.02954	17.7
87.00885	13.6
87.04525	1.9
89.02450	9.0
93.03465	7.6
95.01381	1.3
97.02950	6.7
99.00883	7.7
99.04535	1.3
101.02450	9.1
103.00391	0.8
105.01910	0.8
107.08662	1.0
108.02235	0.8
109.02986	1.7
109.06555	0.7
111.00884	5.1
111.04527	2.3
113.02468	4.1
115.04008	1.1
117.01942	1.3
117.51246	0.7
119.03522	2.3
124.04050	2.8
125.02423	1.8
129.01952	16.2
131.03539	1.1
133.02953	0.9
133.10263	2.0
135.03050	0.8
135.04536	1.9
135.08194	3.1
135.11810	5.4
136.12115	0.6
137.02478	1.9
137.09727	1.8
141.01952	4.0
145.02866	1.0
147.03020	1.8
149.04568	0.7
149.06067	0.6
151.00356	3.0
151.11279	1.1
152.01062	0.8
153.01959	15.2
153.09225	32.5
154.02255	0.7
154.09566	1.8
155.10774	4.9
159.02994	6.6
161.02481	4.2
161.04517	1.8
161.05969	0.7
161.09688	0.9
163.04092	0.8
163.06108	1.3
167.03513	1.0
167.10762	0.9
168.03046	4.0
173.04529	1.7
175.04065	1.0
177.04060	40.6
177.09210	1.3
178.02859	0.7
178.04414	2.0
179.03528	1.5
179.05621	2.8
179.07074	1.2
179.10788	24.1
180.11124	2.3
181.07213	5.5
181.08687	1.0
181.12389	1.5
183.60547	0.6
191.05638	3.6
193.08562	0.8
195.03130	0.8
195.05098	3.5
195.10226	1.3
197.08228	5.2
199.09769	2.5
200.06888	0.8
204.87596	0.7
221.06609	1.7
221.11633	1.5
223.09756	2.2
225.11327	5.4
231.07126	0.6
239.09248	1.1
241.10870	0.9
263.07709	0.7
281.06653	0.8
285.03809	0.9
311.10208	0.8
323.07629	3.0
325.10327	0.7
329.12332	1.9
339.11072	1.1
343.17557	0.9
344.41196	0.7
357.11917	11.0
358.12283	1.3
373.15091	1.5
375.12915	2.5
387.12051	0.9
387.16629	10.7
388.16858	1.0
461.23419	0.8
463.24289	2.4
471.83209	0.7
472.18848	1.0
491.11615	1.3
491.23932	1.1
499.14548	12.8
500.14819	1.5
517.15497	1.1
535.16064	100.0
536.10162	1.0
536.16583	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	535.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43151	1.5
55.01885	2.3
57.03424	2.2
58.00600	2.6
59.01375	93.1
60.01741	1.7
61.98831	4.1
63.25430	1.6
69.03447	6.1
71.01379	77.2
71.29839	1.7
72.99319	4.8
73.02954	10.1
75.00866	4.9
75.49467	1.3
78.18568	1.8
81.03474	2.8
82.74493	1.2
83.01389	5.7
83.13581	1.4
85.02950	18.4
87.00896	7.9
89.02447	99.6
91.01891	11.0
93.03468	14.0
95.01399	7.1
97.02936	7.8
99.00922	2.6
101.02457	48.3
111.00900	2.2
113.02451	32.3
116.32593	1.4
116.92876	7.5
119.01408	3.4
119.03515	51.0
121.02968	15.0
123.16808	1.4
125.02455	37.5
131.03543	8.5
137.02449	9.6
139.04018	2.3
143.03526	14.5
149.04543	4.7
151.04018	100.0
152.04349	5.1
155.66301	1.5
161.04601	13.0
162.02127	1.4
167.03503	1.7
170.79688	1.5
179.05640	29.4
221.06676	30.9
222.07082	2.4
245.06686	3.1
263.07620	12.8
323.09805	68.4
324.10114	6.2
443.11896	3.6
535.15973	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	535.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03443	1.7
58.00591	0.7
59.01374	25.2
60.01703	0.4
60.68828	0.3
61.98826	61.5
62.98524	0.4
63.99251	0.6
69.03451	1.4
69.58032	2.7
71.00993	0.7
71.01380	11.9
71.05022	0.5
72.35722	0.3
72.99318	1.1
73.02943	3.5
75.00880	0.6
75.32642	0.3
81.03457	2.0
83.01387	1.8
83.05007	0.7
85.02953	6.7
85.06529	0.3
87.00896	1.4
87.04526	0.4
88.98807	1.2
89.02441	4.8
93.03463	6.2
95.01411	1.6
95.04976	0.3
95.46416	0.3
97.02964	0.6
99.00880	1.2
99.04546	0.6
101.02453	9.0
101.03107	0.7
107.01379	0.6
107.05016	0.6
108.02181	100.0
109.03000	19.8
110.03312	0.6
111.00849	0.5
113.02449	3.5
116.92867	3.3
117.03470	2.8
117.92873	0.5
118.03751	0.3
119.03528	1.8
119.04986	1.8
120.05395	0.7
121.02961	9.9
122.03761	3.3
123.00883	1.2
123.04543	7.4
123.08157	0.5
125.02441	2.1
125.09760	0.7
133.02997	2.8
134.03769	6.6
135.00888	1.9
135.04506	1.4
135.11809	0.6
137.02451	8.5
137.09686	0.5
143.03552	0.6
145.02957	8.9
146.03333	1.2
147.04587	0.4
149.02469	3.6
151.00356	1.4
151.04022	1.6
152.01163	69.2
153.01964	14.0
154.02226	0.8
155.10753	0.6
159.03049	0.5
160.01674	0.4
161.02457	7.4
161.04472	2.1
161.05780	0.4
161.09776	0.9
162.02855	0.5
163.04010	3.0
164.04791	2.8
165.01929	1.3
167.03502	4.3
171.10324	1.6
175.00284	0.4
175.04079	0.4
177.01848	0.4
177.05612	0.4
178.99744	0.5
179.03481	0.6
179.07155	0.9
179.10767	2.0
183.13879	0.5
185.11870	0.9
187.04015	0.4
190.02734	0.6
191.03476	0.5
197.06111	0.5
201.11360	0.4
205.05127	0.8
208.03764	1.5
215.12799	0.6
223.06108	13.0
224.06482	0.8
225.04085	0.4
227.07133	5.4
228.07426	0.6
237.07692	1.0
238.16866	0.3
242.66849	0.4
257.04425	0.9
271.06113	2.7
272.06738	2.6
273.06876	0.6
281.06747	0.5
284.03143	1.0
285.04211	0.4
285.10019	0.4
286.08511	0.5
289.07190	0.4
301.10776	0.4
307.08252	0.5
313.23892	0.7
314.07919	0.5
325.23935	0.5
327.21597	0.5
329.10254	2.3
337.23953	0.3
355.24969	3.3
367.10330	1.9
371.24234	0.5
373.12857	0.5
373.25940	11.1
374.26288	1.0
416.08502	0.4
462.11963	0.4
472.13141	0.8
473.11157	0.7
475.28809	0.8
488.75931	0.4
491.19009	0.6
517.30005	1.3
520.12097	0.4
534.30005	0.5
535.14429	85.3
535.31323	91.1
536.14740	14.6
536.31720	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	535.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06287	1.1
55.01881	1.3
56.00237	1.0
56.85227	1.1
57.03444	1.1
58.00594	5.3
59.01379	100.0
60.01684	1.4
61.98810	3.6
69.03460	8.2
71.01386	88.7
71.12740	1.2
71.65399	1.6
72.01704	1.6
72.97514	1.2
72.99306	5.3
73.02947	13.3
75.00875	5.8
81.03448	3.0
83.01381	5.4
85.02959	19.9
85.35240	1.0
87.00889	19.4
89.02452	94.6
91.01899	9.6
93.03472	15.3
95.01413	5.7
96.97091	1.1
97.02951	9.2
99.00890	4.7
101.02456	61.5
102.02800	1.4
103.57887	1.4
107.05074	2.5
108.02145	1.3
111.00875	3.5
113.01691	2.1
113.02460	35.2
115.00416	1.7
116.92855	6.4
119.01395	5.1
119.03516	49.6
121.02972	20.3
122.79326	1.2
123.04542	1.4
125.02465	38.6
129.01910	1.8
131.03520	8.9
133.02971	1.6
135.04558	2.1
136.01611	1.5
137.02470	16.2
138.02852	1.1
139.04015	4.2
139.98946	1.1
141.05608	1.8
143.03494	13.4
145.02986	1.8
149.02467	1.5
149.04549	5.2
149.05890	1.1
151.04025	99.4
152.04340	5.4
159.03004	1.5
161.04558	17.1
167.03476	1.5
173.04556	1.1
177.04019	2.2
179.03471	1.5
179.03760	1.6
179.05617	31.3
180.05833	1.2
191.05585	2.3
193.05060	2.2
195.04984	2.2
199.09743	1.1
221.06671	25.2
245.06625	3.2
263.07712	11.0
287.05630	1.3
314.07819	1.9
323.09848	66.7
324.10120	7.1
325.11725	1.8
329.10187	2.7
357.09735	1.6
379.86172	1.2
387.16641	2.1
433.13623	2.9
443.11932	5.2
535.15442	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	534.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98827	100.0
62.98535	0.2
70.19486	0.2
70.19865	0.3
78.95902	0.1
96.96013	0.2
232.53044	0.1
242.82178	0.1
305.21179	0.1
312.19305	0.1
312.23395	0.1
471.34946	0.4
534.36414	0.2
553.56396	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	535.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
61.98825	6.8
62.45646	0.5
65.00312	2.5
65.03961	1.0
67.01884	1.0
71.01385	2.2
71.05183	1.0
71.61921	0.4
73.02956	0.6
79.08988	0.4
83.01415	1.1
85.02934	1.4
85.81020	0.4
89.02458	1.1
91.01897	100.0
92.02248	3.4
93.03468	9.1
101.02444	0.7
107.01404	2.7
107.70545	0.5
109.02981	4.0
113.02432	0.7
117.03449	1.4
119.05032	1.1
121.02934	0.8
123.04514	0.5
125.02434	1.3
133.02969	1.1
134.03757	6.1
135.00894	45.0
135.04541	9.0
135.36414	0.4
136.01233	1.5
136.04845	0.5
137.02460	9.5
138.02863	0.5
139.11411	0.4
145.02998	3.4
148.05307	0.6
149.02376	1.0
149.06052	1.2
151.00389	11.1
153.01947	15.8
154.02255	0.8
158.03839	0.6
160.01675	1.4
161.02365	0.6
163.04030	0.6
165.01933	1.5
175.04030	3.0
175.34210	0.5
176.04836	2.9
178.99863	97.8
180.00200	5.0
183.10223	0.5
191.07146	2.9
193.05069	4.0
197.00909	12.4
207.06548	1.4
220.03665	0.8
221.00969	0.9
235.06100	3.1
265.07083	0.5
271.05869	0.6
287.05609	12.4
288.06003	0.7
295.92908	0.5
341.05362	0.5
359.06323	2.2
374.11191	0.6
403.10379	2.0
404.10904	0.7
517.09772	2.2
518.10272	0.5
535.10852	75.5
535.24188	2.7
535.31238	2.0
536.11200	13.4
536.18176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.03444	0.5
59.01380	5.1
61.98830	100.0
63.18273	0.1
63.50246	0.1
68.02527	1.1
70.65816	0.2
70.66177	0.5
71.01385	3.1
71.01762	0.3
71.26521	0.1
72.99316	0.3
73.02949	1.4
75.00902	0.2
78.18480	0.2
82.98303	0.1
83.01398	0.7
85.02963	1.6
87.00892	0.5
88.98830	0.2
89.02453	1.6
91.01904	0.2
93.03480	0.2
95.01402	0.3
99.00915	0.4
99.04550	0.2
101.02451	2.7
107.01426	0.2
108.02223	0.2
109.02984	0.4
111.00935	0.3
113.02473	1.0
116.92865	0.2
117.03483	1.7
119.03526	0.6
119.05042	1.4
120.05431	0.2
122.03755	0.3
123.04535	0.8
125.02490	0.3
125.09774	0.2
126.99594	0.4
127.99979	0.2
128.99287	3.9
129.99684	0.2
131.03510	0.2
137.02484	0.3
137.09749	0.2
145.02974	8.6
146.03357	0.6
151.00429	0.4
155.10823	0.3
158.20760	0.2
161.04659	0.4
161.06128	0.2
163.04034	1.7
171.10385	0.4
179.05692	0.5
179.10907	0.2
187.04086	0.5
191.78468	0.1
205.05222	0.2
220.78804	0.1
235.06247	0.2
265.07275	0.6
271.06259	0.2
289.07382	0.1
307.08139	1.1
323.10013	0.2
325.09595	0.2
355.24860	0.7
371.24323	1.0
372.24442	0.7
373.25955	2.8
411.10953	0.3
433.28094	0.3
471.12988	4.4
471.19690	0.3
472.13449	0.8
475.29050	0.3
533.29779	0.6
534.23529	0.1
534.30225	1.8
535.31305	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	533.3118
Annotation	Myrianthine A
Peak:m/z	Relative Intensity
55.10844	0.5
57.03435	1.4
59.01378	25.5
61.98537	0.6
61.98831	10.7
71.01379	1.1
71.48370	1.0
72.98940	0.8
72.99313	12.1
73.02937	1.6
75.00871	0.7
78.95882	1.3
83.05035	0.6
85.02947	0.8
87.04516	1.3
89.02444	0.5
93.03480	0.7
97.06627	0.6
101.02434	0.6
152.99582	0.8
156.39647	0.5
161.02396	0.8
218.01657	0.7
223.13086	0.6
252.55652	0.6
291.19583	2.1
311.05475	1.0
312.05942	1.3
313.06003	1.5
365.28824	2.4
365.32480	0.5
381.27762	0.8
384.46814	0.5
385.27505	1.1
395.29816	0.8
409.27213	2.0
411.28998	4.0
412.29028	1.1
415.24103	0.7
427.28381	4.7
428.28500	0.9
429.30286	0.8
439.28397	1.2
441.29889	1.6
453.30017	1.1
455.27750	2.3
471.31021	1.2
473.28629	29.2
474.29123	6.4
485.28790	0.7
486.02213	0.5
489.32056	1.2
515.29694	0.6
533.30975	100.0
534.31293	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	533.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
60.01713	1.0
60.02001	0.2
61.98830	4.8
64.30769	0.2
72.99322	0.3
73.02966	0.4
102.03732	0.2
122.21841	0.2
125.06109	0.3
145.87688	0.2
156.22314	0.3
230.04684	0.4
303.76147	0.2
319.19189	0.5
359.22150	0.4
365.28711	0.2
401.27280	0.3
473.32062	1.1
487.34384	1.7
502.14896	0.3
533.33313	2.7
534.35736	0.3
536.32794	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68963	0.2
55.01877	0.4
57.03448	0.3
58.00606	0.2
59.01380	6.8
60.99304	0.3
61.98831	100.0
62.98547	0.3
65.00327	0.3
69.03468	0.2
69.32263	0.5
69.32690	1.2
71.01386	3.2
71.04071	0.2
72.99316	0.5
73.02966	1.0
75.00884	0.3
83.01391	0.9
85.02975	1.5
86.03391	0.1
87.00902	0.5
88.98824	0.7
89.02460	1.7
93.03472	0.6
95.01392	0.3
99.00909	0.3
101.02464	2.4
107.01404	0.6
109.03003	0.2
111.00919	0.2
111.21462	0.2
113.02442	1.2
116.92873	1.6
117.03485	2.1
118.03818	0.3
119.05042	3.0
120.05399	0.6
121.02975	2.8
123.04539	0.5
123.08148	0.2
125.02464	0.7
133.06651	0.2
135.04527	0.2
137.02417	0.4
139.11374	0.3
145.02974	11.1
146.03308	1.0
149.02417	0.2
151.00375	2.2
152.00768	0.6
157.12328	0.2
160.01724	0.3
161.02367	0.3
161.04535	0.4
161.06013	0.2
163.04053	2.3
164.04373	0.2
169.01379	0.2
171.10310	0.3
175.00372	0.2
175.04051	0.4
176.04373	0.2
177.01935	0.4
185.11838	0.7
187.04002	0.6
205.05122	0.4
209.48483	0.2
215.12901	0.7
227.07146	0.4
235.06151	0.2
260.06662	0.2
265.07153	0.7
271.06100	2.9
272.06445	3.9
273.06711	0.3
286.07245	0.4
289.07181	0.2
307.08264	2.0
308.08533	0.3
325.09500	0.3
327.21713	0.3
338.09769	0.2
353.23309	0.2
355.24878	1.7
371.24554	0.9
372.24750	0.5
373.25949	4.0
373.30569	0.2
411.10779	0.6
439.59595	0.2
471.12991	4.6
471.19690	0.3
472.13141	0.9
475.28613	0.2
517.30042	0.5
533.30157	3.0
534.16669	0.3
534.30676	3.6
535.31219	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2964
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
53.06395	0.2
55.01870	0.5
57.03443	1.1
58.00593	0.9
59.01377	15.4
61.98831	8.7
63.02413	0.4
65.00317	0.8
69.27904	2.3
71.01382	10.6
71.05017	0.6
72.99319	1.0
73.02946	2.2
75.00866	0.4
82.85332	0.2
83.01396	2.3
83.05050	0.3
85.02957	3.3
87.00883	0.9
87.04511	0.4
88.98834	0.3
89.02454	5.2
93.03465	1.4
95.01394	0.9
97.02983	0.4
97.06601	0.6
99.00941	0.3
101.02454	6.4
107.01411	1.9
109.02970	0.3
111.04531	0.3
113.02465	2.7
114.02827	0.2
116.92870	0.5
117.03468	1.0
117.05563	0.4
119.03583	1.5
119.05035	6.1
120.05391	0.3
121.03065	0.3
123.08162	0.5
124.71993	0.2
125.02448	0.8
125.09730	1.5
131.03525	0.4
135.04581	0.3
137.02438	0.6
137.09729	0.5
139.11348	0.5
141.09215	0.4
143.10841	0.5
145.02972	4.9
146.03300	0.4
151.00389	7.3
151.11317	0.3
152.00665	0.5
153.09225	0.4
155.07231	0.3
155.10791	0.8
160.01695	0.4
163.04068	1.1
165.01924	0.6
169.01514	0.3
169.12395	0.4
171.10292	4.0
175.00421	0.4
175.03983	0.7
177.02017	1.2
179.10817	0.8
181.12288	0.3
182.14281	0.2
183.13934	0.3
185.11893	1.4
200.10522	0.4
213.11449	0.2
214.12109	0.3
215.12843	0.6
227.07188	0.3
227.12895	0.2
243.15979	0.6
271.06097	18.6
272.06412	2.2
281.17648	0.6
287.05731	0.3
291.53195	0.2
295.06186	0.3
311.22342	0.4
313.07098	0.4
323.22266	0.4
335.22247	0.4
341.23441	1.7
342.23514	0.3
353.23325	6.3
354.23526	1.0
369.22821	0.3
371.24384	12.9
372.24802	1.8
390.19186	0.3
415.35092	0.2
422.53705	0.3
485.29996	0.3
489.20453	0.3
515.28613	1.3
533.29675	100.0
534.30029	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	533.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35018	0.6
52.44377	0.7
55.01877	0.8
57.03431	2.0
59.01094	1.1
59.01375	18.3
61.35283	0.7
61.98522	1.4
61.98829	27.4
69.56852	3.9
69.57261	2.1
71.01382	15.6
72.99300	1.4
73.02953	4.2
75.00867	2.1
78.50285	0.7
78.95914	0.7
83.01392	2.0
83.05004	0.9
85.02969	5.3
85.41207	0.9
87.00887	1.6
89.02453	8.0
93.03465	18.4
95.01382	2.0
96.96020	1.7
97.02979	0.9
98.20615	1.5
99.00894	1.3
101.02442	7.3
105.03509	0.7
108.02198	0.8
109.02968	0.8
110.85142	0.7
113.02457	6.4
113.03214	0.9
113.03550	0.9
117.03487	4.8
119.03494	2.7
119.05026	2.5
121.02948	4.2
121.06586	0.9
123.04461	1.5
125.02448	2.4
132.02184	9.4
133.02972	8.0
134.03755	66.6
135.04599	8.7
136.01659	0.9
137.02448	3.8
139.04010	1.4
145.02934	3.4
147.04547	9.7
148.05324	6.6
149.06111	17.5
150.03227	1.2
151.04027	2.7
154.67906	0.7
155.10808	1.0
158.03731	2.7
160.01669	44.7
161.02475	8.4
161.04529	1.5
162.03238	82.7
163.03845	7.0
163.06090	0.7
163.07625	1.2
165.01949	7.4
165.05592	1.7
173.04657	1.3
173.05902	3.5
174.03201	1.4
175.04008	44.9
176.04797	31.2
177.02130	5.7
177.05566	88.2
178.02747	10.2
178.04353	1.1
178.05916	5.8
179.03490	5.5
179.05598	2.0
179.10799	1.5
180.06703	1.0
181.12376	1.4
185.11766	1.4
190.02696	1.7
191.07147	40.8
192.04263	2.8
192.07494	2.8
193.05064	79.8
194.05377	4.7
194.71251	0.9
202.02666	1.2
205.05060	2.2
207.06625	12.3
208.06857	1.0
211.07629	1.1
217.04961	3.5
220.03746	6.1
221.04445	1.8
225.11302	1.5
235.06100	100.0
236.06454	8.5
247.06084	1.1
251.05576	2.1
255.03023	0.9
265.07123	56.8
266.07486	4.8
281.06714	4.6
284.03250	1.1
285.03891	2.6
289.07529	0.9
295.08224	72.3
296.08582	6.5
337.09320	1.1
355.10300	12.1
356.10840	1.1
371.24533	1.0
459.61139	1.2
460.11551	1.0
489.17123	1.0
490.23987	2.3
512.85577	1.0
533.15942	6.3
533.23260	2.9
533.31061	12.6
534.30359	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21934	0.6
53.84328	0.5
53.98404	0.6
55.84296	0.5
57.03439	1.7
57.12838	0.6
58.00586	0.8
59.01379	11.1
61.98829	6.8
66.03474	0.7
68.68364	0.5
70.02981	0.8
71.01382	8.3
71.59588	1.2
72.00906	2.4
72.99311	1.6
73.02952	2.2
74.02484	2.9
75.00866	2.6
80.91704	0.7
82.06623	1.1
82.95419	1.8
83.01387	0.9
84.04559	0.5
85.02958	5.3
87.00880	2.5
87.05643	12.8
88.04034	0.8
88.98814	1.6
89.02467	4.7
92.71639	0.6
93.03448	4.9
97.00447	0.8
97.03003	0.6
97.04102	1.0
98.02481	1.9
99.00896	1.4
101.02451	6.6
101.07250	1.4
106.04254	1.4
107.05043	1.4
108.02326	0.6
113.02483	3.1
113.03585	7.7
115.08781	9.2
117.03445	1.6
119.03595	1.2
119.04258	1.0
119.05042	17.1
120.05334	1.1
125.02408	0.7
126.05568	0.6
127.08794	7.4
129.01964	1.5
131.03532	1.0
134.06166	5.5
135.03023	0.6
135.70441	0.6
136.07680	2.4
137.02449	0.7
141.06676	2.3
141.10297	1.1
145.02972	4.1
145.06242	1.2
147.03325	1.0
147.04536	13.3
148.04846	0.9
151.03883	0.8
152.07156	1.0
154.77914	0.6
155.08260	2.3
155.10745	0.9
160.04056	0.6
161.02422	0.8
161.04639	1.3
161.06059	6.9
161.09741	1.1
162.03154	0.6
162.05576	0.7
163.04016	10.2
163.05357	0.7
163.06078	2.0
164.04454	0.7
165.04099	1.4
168.11414	2.2
169.09811	2.4
177.01883	1.7
177.04062	2.4
177.05551	0.8
179.05626	1.9
179.10802	5.6
180.06676	36.4
181.07054	3.6
181.13368	0.8
186.12488	24.3
187.12816	0.9
189.05562	1.4
190.08698	0.6
191.01936	0.9
192.04236	0.6
196.10814	0.8
200.14066	2.1
203.10680	0.7
205.05132	1.0
205.07028	0.8
207.06660	1.0
207.11423	9.1
208.06175	1.0
209.13026	1.9
223.09818	3.4
226.15617	5.5
229.74152	0.6
233.09430	0.8
236.17619	1.0
251.10413	5.8
252.10861	0.7
265.07178	1.4
280.16696	2.3
289.10590	0.8
306.18213	9.5
308.16171	2.3
325.11414	12.3
326.11575	1.0
332.16107	1.5
351.93988	0.7
371.13425	2.5
385.15070	1.2
415.20044	0.7
417.25220	2.0
461.24020	100.0
462.17740	1.1
462.24347	19.3
471.15048	1.2
471.22568	1.7
473.16586	2.8
489.23553	20.1
490.23892	3.4
533.18756	9.4
533.29846	1.0
534.18591	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	533.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28672	0.8
55.01882	1.1
57.03456	3.8
58.00570	1.1
59.01377	33.5
60.80178	0.8
61.98827	43.7
65.00307	1.2
69.03448	0.8
71.01377	23.7
71.05009	1.9
72.99300	3.5
73.02949	8.3
74.20763	0.7
75.00864	1.6
81.03462	0.9
83.01396	4.3
83.04971	0.9
85.02931	8.0
87.00874	3.2
87.04520	2.1
88.98811	1.7
89.02449	12.9
93.03472	4.2
95.01387	1.7
95.05031	0.9
96.96026	1.0
97.02935	1.2
97.06592	2.0
99.00874	3.6
99.92563	1.1
101.02454	12.8
106.04275	0.8
107.01379	1.4
108.02163	1.0
109.02972	1.2
111.00876	1.3
113.02453	8.9
114.93406	2.2
115.00380	2.4
115.04028	1.7
116.92858	6.8
117.02007	1.2
117.03477	6.3
119.03543	4.5
119.05021	8.8
120.05347	0.9
121.02937	3.1
123.04530	1.2
125.02456	4.4
131.03526	0.8
132.02205	8.8
133.02983	9.4
134.03754	68.4
135.04620	9.0
136.00696	0.8
136.01682	2.1
137.02464	4.6
139.04056	1.4
143.03456	1.0
145.02960	9.2
146.03288	0.9
147.04530	12.5
148.05307	6.5
149.02458	2.4
149.06090	18.6
150.03134	1.8
150.06377	1.0
151.00374	9.5
151.04015	2.7
153.05545	1.2
155.10765	2.2
155.40367	0.8
158.03717	1.9
159.04558	1.1
160.01672	42.7
161.02452	8.7
161.04572	2.9
161.09750	1.3
162.03236	83.5
163.03992	8.5
163.07690	1.7
164.04677	2.6
165.01944	0.9
165.09200	4.9
173.04633	1.7
173.06088	4.0
174.03192	1.7
174.04788	0.8
175.00452	6.0
175.04010	52.9
176.04785	29.2
177.02054	7.5
177.05573	81.5
178.02722	11.4
178.05893	4.9
179.03532	3.9
179.05600	1.6
179.07089	0.8
179.10791	1.0
181.12357	1.9
183.10358	1.1
187.51082	0.8
189.05637	0.9
190.02722	14.3
191.05684	2.7
191.07146	42.4
192.04283	3.4
192.07469	3.2
193.05055	85.5
194.05380	5.1
202.02716	1.2
205.05087	13.8
206.05516	0.9
207.06596	12.8
211.07716	2.2
217.05066	4.7
220.03773	5.5
221.04535	1.9
221.08223	1.5
221.15009	0.8
223.06062	2.2
225.11273	1.6
235.06108	100.0
236.06445	7.5
239.37727	0.9
251.05580	1.8
255.15942	1.6
265.07138	61.2
266.07498	4.9
269.17389	0.9
271.06119	21.2
272.06381	2.8
281.06604	3.5
283.10272	1.0
284.03311	1.1
285.03918	2.8
287.05597	1.8
289.07129	2.1
295.08221	81.6
296.08530	7.2
297.16849	0.9
337.09451	1.3
353.23303	20.6
354.23416	2.9
355.10275	13.2
356.10556	1.7
367.10300	4.3
369.22943	0.9
371.24423	6.2
372.24362	1.3
473.26947	1.0
485.29117	8.5
503.29901	1.5
515.28497	2.4
533.20355	13.2
533.29865	45.8
534.20752	2.5
534.30499	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	533.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
56.32525	1.1
57.03447	5.8
58.00587	1.5
59.01375	40.5
61.98830	31.3
69.03469	1.4
69.47553	9.2
71.01384	29.6
71.01767	1.8
71.05039	2.0
72.01749	1.1
72.99315	2.6
73.02944	9.3
75.00892	2.4
81.03451	1.4
83.01409	4.7
83.05053	2.3
85.02959	11.1
85.36147	1.0
87.00906	4.7
87.04550	3.5
88.98833	1.5
89.02447	14.0
93.03445	6.2
95.01427	3.0
96.96061	1.6
97.02972	2.6
99.00910	3.0
99.92583	1.8
101.02447	15.1
107.01456	1.4
108.02188	1.7
109.02999	1.6
110.75758	1.1
111.00910	1.7
113.02456	11.0
114.93432	7.7
115.00426	3.6
115.04044	1.6
116.92874	8.4
117.03489	4.3
119.03558	5.2
119.05026	8.9
121.02986	2.7
123.04558	1.8
123.08150	1.4
125.02476	4.2
129.02003	1.2
131.03487	1.1
132.02164	7.5
133.02959	8.8
134.03754	66.5
135.04572	7.5
136.01735	2.1
137.02458	8.1
139.04021	1.5
139.11371	1.3
145.02971	11.5
147.04584	8.1
148.05331	5.4
149.02431	2.8
149.06073	17.0
150.03307	1.7
150.06465	1.3
151.00377	6.6
151.04080	3.8
153.02046	1.3
153.05650	1.3
155.10857	3.7
160.01671	36.0
161.02460	8.6
161.04610	2.8
161.05980	1.1
162.03235	75.2
163.02596	1.5
163.03981	11.9
163.07666	2.1
164.04840	2.7
165.01991	1.4
165.05580	1.2
165.09203	6.2
169.12375	1.9
171.10316	1.5
173.04619	6.8
173.06133	3.1
174.03279	2.5
175.00418	5.1
175.04008	49.9
176.04800	28.2
177.02124	7.0
177.05571	73.6
178.02734	11.1
178.06018	3.3
179.03461	5.4
179.05710	2.7
181.12355	1.1
186.01239	1.0
190.02711	14.5
191.03404	1.7
191.05597	3.3
191.07135	39.3
192.04462	2.2
192.07584	2.2
193.05057	82.3
194.05455	4.4
202.02962	1.4
205.05034	17.2
207.06609	11.7
211.07707	1.4
217.05037	5.7
220.03763	5.1
221.04590	2.2
223.06221	2.1
225.11417	1.4
235.06107	100.0
236.06396	7.5
239.16518	1.4
251.05855	1.8
255.03036	3.3
255.15985	2.5
265.07144	57.4
266.07602	3.2
269.17651	1.4
271.06097	15.7
271.08731	1.4
272.06796	1.3
281.06717	3.6
283.02640	1.6
284.03305	2.4
285.04059	5.0
286.04266	1.6
287.05737	1.9
289.07239	2.5
295.08218	76.4
296.08463	5.6
297.17313	1.4
305.94199	1.2
323.22711	1.8
328.59915	2.0
337.09427	1.3
341.08679	1.4
350.59302	1.7
353.23334	21.8
353.27463	1.5
354.24042	1.5
355.10272	10.6
367.10675	3.7
371.24335	8.4
377.15311	1.1
473.27060	1.5
485.29181	17.6
486.29810	3.8
515.29059	3.9
533.20996	11.5
533.30621	75.8
533.61743	1.1
534.19476	1.6
534.30957	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	533.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60710	0.5
55.01876	0.9
57.03442	4.6
58.00589	0.8
59.01091	0.6
59.01380	11.1
61.98820	2.1
68.99812	1.1
69.03450	1.0
69.75719	0.5
69.81999	2.9
71.01385	15.4
72.99310	3.2
73.02950	1.3
75.00879	25.4
83.01384	2.0
84.02156	1.2
85.02448	0.6
85.02960	12.2
87.00884	10.8
87.04512	0.5
88.98842	0.7
89.02455	5.6
93.03498	1.2
96.96940	0.7
97.02965	1.7
98.20575	0.6
99.00884	5.5
99.04558	0.5
101.02455	3.0
105.01933	0.6
111.00892	1.1
113.02445	2.5
116.92874	0.8
117.01923	1.0
117.03460	0.6
121.02972	9.1
123.04528	1.0
125.02442	0.9
129.01959	12.6
132.02170	0.8
133.02957	3.6
134.03755	33.0
135.04517	1.5
137.02466	5.2
139.04033	1.7
141.01904	0.8
148.05301	0.6
149.02432	0.7
149.06093	11.0
159.02985	2.2
160.01698	4.5
161.02483	3.4
162.94354	0.5
163.04048	0.6
165.05499	0.5
175.04004	11.7
176.04704	1.3
177.04063	59.4
178.02716	17.1
178.04398	3.3
179.03412	2.9
179.05609	0.7
191.05878	2.5
191.06938	2.5
193.05070	53.5
194.05481	4.1
195.05135	6.2
199.36646	0.5
217.08755	0.7
223.06149	0.9
233.08156	0.9
235.06067	2.5
244.74287	0.6
256.37927	0.6
261.07892	0.6
265.06903	0.7
335.07776	0.9
338.47348	0.6
353.08749	22.8
354.09088	2.3
355.10043	3.1
371.09808	13.2
372.10202	1.2
411.11496	0.8
473.13083	1.6
497.13028	2.3
533.15063	100.0
534.15411	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	533.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88557	0.4
55.01879	0.8
57.03444	5.8
57.36063	0.4
58.00596	0.7
59.01379	11.8
61.98833	2.2
67.01913	0.4
68.72614	0.4
68.99818	1.1
69.03471	0.7
71.01385	16.4
71.63033	0.7
72.11726	0.4
72.99326	3.1
73.02940	0.7
75.00878	28.1
78.95915	0.6
82.71340	0.4
83.01392	1.3
83.05051	0.7
84.02176	1.0
85.02952	15.1
87.00881	11.6
88.98782	0.4
89.02446	6.0
91.98783	0.4
93.03469	1.0
94.30151	0.4
95.01408	0.4
96.96018	1.2
96.96963	0.6
97.02961	1.4
99.00877	6.2
101.02451	3.4
103.00350	0.6
109.03065	0.4
111.00875	1.1
113.02443	2.3
115.04042	0.9
116.92858	1.3
117.01936	0.7
119.03551	1.2
119.05016	0.5
121.02973	2.7
123.04531	0.7
125.02505	0.6
126.90408	2.5
127.04012	0.9
128.03563	0.7
129.01955	14.2
131.03568	0.7
133.02940	0.5
134.03757	34.3
135.03111	0.5
135.04175	1.5
135.09749	0.5
137.02438	3.4
139.04050	0.7
141.01936	1.0
143.03577	0.6
147.04543	0.5
149.02473	1.2
149.06097	13.0
150.06448	0.6
159.02991	1.8
159.04349	0.6
160.01686	1.5
161.02452	1.6
164.04832	1.1
173.04524	0.5
175.04012	3.6
176.04753	1.0
177.04059	73.3
178.02725	12.7
178.04376	2.6
179.03220	0.9
179.05597	2.3
179.07037	0.7
184.95088	0.4
185.28033	0.4
191.03531	0.9
191.05566	1.0
191.07199	1.6
193.05067	52.8
194.05368	3.5
195.01309	0.6
195.05080	3.3
208.03764	0.7
223.06096	2.6
235.06107	1.4
249.11028	0.5
265.07147	0.9
270.21082	0.5
311.11337	0.7
339.07196	1.2
353.08820	6.9
353.12616	0.6
354.09158	0.7
355.10364	3.4
371.09735	6.6
372.10190	1.0
403.12216	0.5
533.15057	100.0
534.15369	15.1
548.26239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66610	0.3
59.01377	1.7
59.88257	0.3
61.26582	0.3
61.98829	100.0
62.98524	0.4
70.40443	1.4
93.08446	0.3
125.13968	0.3
285.61258	0.4
318.58905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60710	0.5
55.01876	0.9
57.03442	4.6
58.00589	0.8
59.01091	0.6
59.01380	11.1
61.98820	2.1
68.99812	1.1
69.03450	1.0
69.75719	0.5
69.81999	2.9
71.01385	15.4
72.99310	3.2
73.02950	1.3
75.00879	25.4
83.01384	2.0
84.02156	1.2
85.02448	0.6
85.02960	12.2
87.00884	10.8
87.04512	0.5
88.98842	0.7
89.02455	5.6
93.03498	1.2
96.96940	0.7
97.02965	1.7
98.20575	0.6
99.00884	5.5
99.04558	0.5
101.02455	3.0
105.01933	0.6
111.00892	1.1
113.02445	2.5
116.92874	0.8
117.01923	1.0
117.03460	0.6
121.02972	9.1
123.04528	1.0
125.02442	0.9
129.01959	12.6
132.02170	0.8
133.02957	3.6
134.03755	33.0
135.04517	1.5
137.02466	5.2
139.04033	1.7
141.01904	0.8
148.05301	0.6
149.02432	0.7
149.06093	11.0
159.02985	2.2
160.01698	4.5
161.02483	3.4
162.94354	0.5
163.04048	0.6
165.05499	0.5
175.04004	11.7
176.04704	1.3
177.04063	59.4
178.02716	17.1
178.04398	3.3
179.03412	2.9
179.05609	0.7
191.05878	2.5
191.06938	2.5
193.05070	53.5
194.05481	4.1
195.05135	6.2
199.36646	0.5
217.08755	0.7
223.06149	0.9
233.08156	0.9
235.06067	2.5
244.74287	0.6
256.37927	0.6
261.07892	0.6
265.06903	0.7
335.07776	0.9
338.47348	0.6
353.08749	22.8
354.09088	2.3
355.10043	3.1
371.09808	13.2
372.10202	1.2
411.11496	0.8
473.13083	1.6
497.13028	2.3
533.15063	100.0
534.15411	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	531.2958
Annotation	Wikstroelide E
Peak:m/z	Relative Intensity
51.26596	0.8
54.63230	0.9
57.03439	3.3
57.38940	1.0
58.62321	0.8
59.01376	28.1
60.99300	1.6
61.98831	10.8
69.68177	0.9
71.01394	1.7
72.99310	61.5
73.02949	3.1
78.95905	6.9
82.91765	0.9
83.05045	1.5
87.00895	1.0
89.02455	1.0
93.03490	1.0
97.06612	4.5
98.19855	2.2
102.91959	0.8
105.03455	1.4
119.05030	1.3
122.03738	1.0
137.02449	1.0
138.96178	0.9
149.02480	4.8
150.03244	22.9
151.03604	0.9
152.99641	4.2
159.73413	0.9
161.02441	0.9
167.09471	0.9
171.10321	6.0
177.01973	1.2
179.75626	0.8
189.01952	2.5
190.02713	0.9
191.03560	1.7
195.14078	0.9
213.05609	4.3
217.01381	3.3
219.02988	13.9
220.03471	1.1
223.13324	2.6
229.72130	0.9
241.05121	5.6
253.09206	1.0
269.04501	4.5
270.08978	1.0
271.06567	1.4
271.09769	9.3
283.06143	10.5
284.06436	2.1
294.21481	1.2
295.22052	1.3
307.09720	1.7
311.05569	17.2
312.05923	2.4
370.24210	0.9
395.29398	2.8
409.27472	1.4
411.29245	9.1
412.29333	3.0
421.27481	1.0
433.09433	1.3
433.15106	3.5
434.10199	1.2
439.28607	7.3
440.28973	1.5
441.30048	2.5
453.30222	2.2
455.28006	8.1
456.28253	1.4
457.29669	5.2
467.20831	0.9
471.31757	14.3
472.32150	4.1
483.27261	3.2
484.27371	1.1
485.32739	1.4
487.30438	14.6
488.30759	3.1
495.27423	1.4
501.28647	7.3
502.29196	1.6
531.29077	100.0
532.29419	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3321
Annotation	24-Epiquadrangularic acid G
Peak:m/z	Relative Intensity
55.01918	0.2
57.03456	0.6
59.01376	18.7
60.99310	0.8
61.98825	1.4
68.57095	0.2
69.37676	1.0
69.38107	1.1
71.01382	0.4
71.35321	0.2
72.02177	0.4
73.02950	3.6
74.61730	0.2
83.05039	0.3
93.87402	0.2
98.20623	0.3
134.28487	0.2
200.06044	0.2
220.61810	0.2
233.47885	0.2
327.26917	0.6
339.26950	0.6
353.24652	0.3
353.28549	0.3
365.28571	1.8
366.28799	0.2
371.29614	1.0
379.30209	0.5
381.27997	0.7
383.29474	1.1
393.27847	0.3
397.27316	0.4
409.26837	0.3
409.31345	0.7
410.31662	0.3
423.29169	0.4
425.30515	1.5
426.30942	0.4
427.32211	0.5
453.30075	7.5
454.30328	1.4
471.31128	51.1
472.31454	9.9
474.44781	0.2
485.34982	0.2
489.32370	0.3
531.33203	100.0
532.33575	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	531.3685
Annotation	Pouogenin A
Peak:m/z	Relative Intensity
50.33971	2.2
51.01080	1.9
59.01377	59.6
61.98830	38.4
67.91679	1.9
70.87881	4.2
70.88243	4.3
72.93192	1.9
78.95907	5.0
95.12507	2.0
100.09780	2.0
121.02930	3.5
147.04498	4.0
179.89320	2.5
180.90002	2.1
196.89442	14.0
223.62386	2.1
267.23300	2.3
419.71262	2.1
433.07224	2.2
439.28571	3.3
471.35040	100.0
472.35373	18.3
531.32715	25.1
532.32501	4.8
534.23767	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	532.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.6
57.46483	0.9
59.01377	14.2
61.98836	5.0
69.03433	1.3
71.01381	28.1
71.56638	1.0
72.99303	2.3
73.02949	1.8
75.00878	3.3
76.30868	1.1
85.02959	7.4
87.00897	2.6
88.98827	8.4
89.02455	11.5
93.03471	4.1
95.01398	1.3
96.96040	1.1
97.02943	1.3
98.10203	1.0
99.00891	2.5
101.02454	4.4
102.28480	1.1
108.02179	1.0
110.02438	1.0
113.02444	4.8
115.00390	11.4
119.03461	2.0
119.05016	1.7
121.02972	100.0
121.54184	1.0
122.03285	4.7
123.00885	1.1
123.04492	1.7
124.01708	2.3
125.02497	7.8
126.02829	2.9
129.01971	1.4
137.02444	4.1
145.02957	2.2
149.00671	1.3
149.99623	3.2
151.00000	1.4
151.04019	1.9
161.02463	2.6
161.04553	1.7
168.00645	6.6
169.01031	2.4
173.04550	4.5
177.04028	1.9
179.03487	1.2
179.05644	2.5
190.02670	1.0
191.03763	0.8
191.05629	4.7
192.99666	1.8
193.05064	0.9
195.05119	1.5
205.04968	1.7
237.04002	12.5
237.06145	1.8
358.10022	2.5
495.60211	1.3
532.10284	1.6
532.17444	18.7
533.18677	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	532.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
61.98833	7.5
69.03452	1.5
71.01382	5.6
71.05016	2.5
73.02933	1.0
73.68536	0.5
75.00861	1.5
81.03460	0.9
83.01385	1.0
85.02951	1.7
87.00890	3.6
88.04036	6.8
88.98817	0.4
89.02459	1.3
89.36511	0.4
93.03447	0.9
93.68703	0.4
95.01377	2.3
96.96036	0.5
97.02943	1.5
99.00910	0.5
99.04531	1.1
101.02430	0.7
105.33676	0.4
107.01387	1.2
108.02200	0.8
109.02927	1.4
111.00878	0.5
113.02425	0.9
117.03451	0.8
119.03445	0.5
119.05061	0.5
121.02941	1.0
123.00076	0.8
123.00880	6.5
123.04521	0.7
124.01682	13.9
125.02464	32.6
126.02769	1.6
129.01949	0.8
131.03514	0.5
134.03752	0.8
136.01553	0.5
137.02481	4.1
139.03923	0.5
145.02980	3.9
146.03246	2.3
146.08221	6.1
147.03485	0.9
149.02467	1.2
149.99603	22.0
151.00401	3.3
151.04021	0.5
163.04001	1.2
164.04799	0.9
167.03491	2.5
168.00659	52.8
169.01430	8.5
170.01773	0.7
173.04543	1.4
175.03999	0.7
179.03493	0.7
190.02759	0.7
191.03445	1.0
191.05598	1.4
193.01376	1.1
193.05215	0.6
195.05000	0.7
205.05066	0.8
206.05835	1.1
207.02863	0.5
211.02448	0.9
218.10321	1.5
221.08182	0.8
223.06100	2.0
229.64996	0.6
237.07574	0.6
243.17180	0.4
265.07172	2.6
269.06558	0.6
295.08258	0.5
313.05710	3.2
327.09360	1.4
331.06638	1.7
355.48630	0.5
358.10141	0.6
395.59686	0.5
532.16644	100.0
533.16699	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	531.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01919	1.7
55.86909	0.4
58.00623	0.9
59.01380	12.7
61.98829	13.7
66.79697	0.4
69.03482	0.9
71.01382	20.0
72.01760	0.4
72.99305	1.8
73.02946	5.5
75.00905	0.4
81.03507	0.7
83.01395	3.2
83.01804	0.4
83.05070	0.6
85.02952	9.9
87.00889	2.1
88.98866	0.4
89.02451	4.9
89.03995	0.6
93.03470	4.5
95.00874	0.4
95.01432	1.7
95.05087	0.6
97.02984	1.1
98.19926	0.8
99.00883	4.1
99.92598	0.4
101.02448	15.7
108.02249	0.4
109.02976	0.7
111.00908	0.7
113.02452	7.8
115.04134	0.3
115.92064	0.4
116.92915	1.7
117.03476	26.9
118.03822	1.4
119.03595	1.3
119.05041	15.8
120.05383	1.0
121.02977	1.1
121.06666	0.5
121.10246	0.4
125.02454	1.9
129.01991	0.4
131.03528	1.6
133.02980	1.3
133.06598	0.9
134.03790	0.6
135.04546	0.8
137.02478	2.1
137.09744	0.5
138.25352	0.4
143.03484	1.1
145.02968	100.0
146.03279	5.3
147.04509	0.5
147.08171	1.2
149.00670	1.2
149.04591	0.8
150.03224	1.0
151.00388	0.4
155.10832	2.2
159.02991	2.1
159.04359	0.7
160.01671	0.9
160.03769	1.0
161.02406	1.2
161.04550	8.7
161.06062	2.5
161.09674	0.6
163.00381	0.9
163.04018	16.3
163.11298	18.6
164.04332	0.8
164.11578	1.3
164.48816	0.4
173.04564	5.3
173.05984	0.6
174.03279	0.4
175.03928	1.1
175.07622	0.9
175.11259	2.8
176.01102	1.2
177.00548	0.5
177.01962	6.7
177.03708	0.5
177.04120	0.5
177.05545	1.0
178.02342	0.5
179.03470	0.5
179.10774	0.9
187.03923	0.8
187.11211	1.6
189.01939	7.8
189.09218	0.7
190.02670	0.9
191.03459	0.4
191.05542	1.7
192.99603	0.8
199.09732	0.6
200.04767	0.4
201.01825	1.4
201.09207	0.6
203.03326	0.6
203.07065	0.5
205.03442	0.5
205.05089	2.5
205.12343	5.7
209.11639	0.6
212.04689	0.9
213.05482	0.5
216.00626	9.0
217.01402	6.7
218.01669	0.5
219.02904	1.0
223.13400	2.2
227.03381	0.6
229.01370	3.4
229.08580	1.2
230.01630	0.5
231.13829	1.0
233.04489	0.6
235.05898	1.2
241.05069	2.9
241.08542	1.4
242.02034	1.4
249.14771	0.8
255.02753	1.7
265.07098	2.5
269.04230	1.3
271.06125	3.9
281.04340	0.8
283.02759	0.7
283.05862	4.6
283.42712	0.4
284.02945	1.3
284.05997	0.7
285.04071	2.5
289.06927	0.6
307.08218	18.6
308.08447	1.9
310.04553	0.5
311.05582	6.2
312.05746	0.6
313.06802	1.4
323.05322	1.4
367.10345	26.7
368.10498	3.0
369.19131	2.9
369.22702	0.8
399.23840	6.3
400.23911	0.8
401.09976	1.1
419.11346	14.6
419.16519	0.6
420.10950	1.7
457.29126	0.8
487.19037	0.6
495.13287	1.1
501.27655	1.2
513.14514	7.0
513.21600	23.0
513.28448	0.8
514.14697	2.3
514.22089	4.3
531.22748	23.7
532.22931	4.4
532.35443	0.5
556.47528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76943	0.2
52.95850	0.2
55.01869	0.5
57.03436	0.7
58.00593	0.4
59.01378	8.6
60.41769	0.2
61.98833	5.1
67.33726	0.2
68.99844	0.2
69.03448	0.3
71.01385	8.7
72.99307	1.0
73.02948	2.2
75.00865	0.3
81.03486	0.2
82.95427	1.4
83.01395	1.0
83.05039	0.5
85.02953	3.4
87.00896	0.9
87.04527	0.3
88.98834	0.3
89.02450	4.9
89.03976	0.3
93.03469	1.9
95.01392	0.9
95.10015	0.2
97.02963	0.7
97.06619	0.3
97.60959	0.2
98.20651	0.6
99.00901	0.9
101.01807	0.4
101.02458	6.1
104.02680	0.2
108.02200	0.3
111.00939	0.4
113.02462	3.4
116.92909	0.2
117.03477	24.6
118.03795	1.4
119.03543	1.3
119.05040	13.4
119.10393	0.2
120.05373	0.5
121.02957	0.9
121.06596	0.4
123.04538	0.6
125.02480	0.5
131.03525	1.9
132.05840	0.2
133.03004	0.6
133.06601	1.2
134.19083	0.2
135.04573	0.5
136.01683	1.0
137.02489	2.2
137.09749	0.4
143.03497	0.4
143.10789	0.5
145.02971	100.0
146.03299	4.9
147.04527	0.3
147.08199	1.0
149.02475	0.5
149.04593	2.1
150.03230	0.6
151.00414	0.5
151.04033	0.3
155.10786	0.6
157.12390	0.4
161.02464	0.7
161.04594	1.9
161.06102	4.2
161.09760	0.5
162.03174	0.3
162.06500	0.4
163.04028	18.5
163.11302	13.6
164.04327	0.9
164.11589	1.1
172.05209	0.4
172.39977	0.3
175.03920	0.5
175.07637	0.6
175.11342	1.4
176.01025	0.3
176.08430	0.4
177.01974	2.2
177.05539	1.5
179.03499	1.0
179.05646	0.4
187.03926	1.2
187.11307	1.2
189.01973	2.8
189.09206	0.4
190.02330	0.4
191.03745	0.3
191.05600	0.8
201.01952	0.3
203.03587	0.3
203.07254	0.4
203.10690	0.3
205.05072	6.0
205.08794	1.2
205.12350	4.4
205.14110	0.5
206.05475	0.4
206.12872	0.3
215.19278	0.2
216.00609	2.0
217.01427	1.9
229.01469	0.7
229.68556	0.3
231.02927	0.3
235.06143	3.4
239.05534	0.4
241.05139	1.4
242.02180	0.6
243.49968	0.2
247.06018	0.3
247.09782	0.6
265.07135	6.9
265.09781	0.4
266.07556	0.6
269.04492	0.4
271.06229	0.4
283.06140	2.5
284.06357	0.4
304.11993	0.2
307.08215	12.5
308.08524	1.2
311.05548	1.2
312.05984	0.3
323.05417	0.3
325.09436	1.1
325.23834	0.3
367.10339	18.1
368.10623	2.0
369.22971	0.8
399.23859	6.8
400.24292	1.1
411.16818	0.3
415.23428	0.4
419.11356	2.4
501.28397	0.3
513.15485	0.8
513.21350	17.1
514.21667	3.6
531.22400	17.8
531.29169	8.2
532.22784	3.3
532.29675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85936	0.7
55.04042	0.6
57.03447	1.4
58.49614	0.6
59.01369	21.5
60.01747	0.8
61.98831	98.0
62.98553	1.2
63.99253	1.5
65.00319	1.7
68.99782	0.6
69.36855	7.4
71.01382	11.1
72.99312	4.9
73.02947	2.8
83.01399	3.4
83.05064	1.1
85.02503	0.8
85.02943	3.5
85.68360	0.7
87.00877	1.0
88.98813	1.1
89.02451	7.3
89.03977	1.1
93.03470	12.3
95.01408	1.1
96.66235	0.7
97.06626	0.7
98.20676	1.5
99.00864	1.3
101.02443	5.7
106.62994	0.7
107.01428	3.8
107.05106	0.6
108.02171	2.6
109.02968	3.0
109.06665	1.0
113.01793	0.6
113.02425	3.5
116.92895	2.1
117.03487	11.3
117.98032	0.7
119.03516	2.7
119.05037	31.7
120.05350	1.3
121.03014	0.9
123.04520	1.2
123.77784	0.7
125.02480	6.8
131.03537	1.9
133.02983	5.9
135.00858	1.9
135.04500	3.5
137.02461	3.9
145.02968	38.4
146.03641	2.4
147.04523	1.8
148.01680	2.2
149.02415	2.3
149.04597	1.1
149.06108	0.8
150.03281	3.6
151.00389	13.7
153.01927	2.4
155.10791	2.3
157.06479	0.7
159.04510	1.0
160.01639	0.9
161.02432	2.4
161.04549	2.8
161.06093	2.0
163.00386	4.1
163.04024	24.3
164.04323	1.7
165.01915	1.5
172.05269	2.6
173.02621	0.8
173.04503	0.6
173.06050	1.8
174.03238	1.0
175.03949	2.3
175.05325	0.8
175.07698	4.0
176.01125	5.4
177.01942	33.3
178.02319	2.1
178.99881	2.9
179.03419	1.1
179.05647	1.6
179.10786	1.9
181.06636	0.7
185.06047	1.3
187.03981	2.2
187.07597	1.1
188.01137	2.0
189.01955	34.7
189.09183	2.5
190.02452	2.9
191.03462	4.3
191.05283	1.2
199.04015	1.6
199.07712	1.3
200.04781	1.9
201.01953	6.1
201.05467	0.7
201.09140	2.7
202.02563	0.9
203.03453	2.8
203.07088	1.0
205.05042	3.0
211.07567	1.4
212.04739	3.3
213.05579	1.3
214.02692	1.9
215.03479	3.0
216.00641	37.2
217.01396	31.1
217.08508	0.8
218.01807	2.2
219.03017	6.2
224.04787	0.9
226.02678	1.7
226.06259	0.8
227.03549	3.4
229.01436	15.3
229.04961	4.3
229.08638	7.3
230.02026	1.3
231.02937	2.2
233.04486	1.2
237.05600	1.3
241.05051	13.0
241.08589	5.1
242.02174	7.3
242.05350	1.6
243.02975	12.9
243.06654	2.1
244.03462	1.4
247.09735	1.2
251.16551	0.9
254.02164	1.9
255.02994	25.3
255.05920	0.9
255.06444	1.1
256.03345	2.5
259.06091	1.3
265.07214	1.0
267.06534	1.2
268.03787	1.4
269.04572	7.0
270.04800	1.0
271.02411	57.5
271.06006	22.7
272.02856	7.0
272.06323	3.1
276.44174	0.8
281.04480	2.2
283.06128	24.9
283.09250	1.0
284.06430	3.1
285.03995	2.3
285.07480	1.3
287.05557	4.7
299.01978	7.6
300.02753	100.0
301.03241	15.5
303.05026	2.0
310.04916	3.6
311.05603	28.8
312.05893	2.4
313.07147	6.0
323.05612	6.4
324.06012	0.9
325.07083	3.1
327.08881	1.2
337.07013	1.5
339.18173	1.1
369.12921	0.7
369.22372	1.2
372.06155	1.2
391.11850	1.7
399.23907	1.6
401.10324	3.6
419.11353	62.3
420.11783	9.5
433.07739	1.0
437.12173	1.3
441.29941	3.0
457.29517	4.3
471.09097	1.3
471.23318	2.2
487.30014	0.9
489.10190	3.0
495.14355	2.6
501.28680	3.9
513.15515	37.7
514.15802	8.3
531.10925	37.3
531.29596	55.8
532.11188	7.3
532.23181	1.4
532.29822	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	531.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.7
57.03586	0.6
59.01260	11.9
59.01600	4.0
61.98708	13.7
61.99073	3.9
65.01085	0.7
65.03851	0.7
69.03371	0.6
70.50249	2.4
71.01253	10.0
71.01694	2.2
72.99186	2.8
73.02821	2.6
75.00797	1.4
81.03374	1.1
83.01308	1.5
83.04937	0.9
85.02818	4.1
88.98640	0.6
89.02309	5.4
89.03841	2.4
89.42187	0.7
93.03320	16.3
93.03979	1.9
94.03648	0.9
95.01283	0.8
97.06504	0.7
99.00766	1.0
101.02307	6.8
101.03007	1.4
104.93009	0.7
105.03330	0.9
107.01241	0.8
108.02065	1.5
109.02802	3.5
113.02306	3.1
117.03312	5.3
119.03406	1.1
119.04871	7.7
121.02874	1.5
122.03602	0.7
123.00753	0.7
123.04420	1.4
125.02285	2.9
131.03360	3.0
133.02806	8.1
134.03264	0.7
135.00835	1.1
135.04443	0.8
137.02457	3.8
139.03917	0.8
143.03383	0.9
143.04906	0.8
145.02974	17.2
146.03539	3.0
147.04402	1.6
148.01468	2.1
149.02284	1.8
149.04549	3.4
149.05470	0.8
150.03018	2.3
151.00247	2.0
151.03917	0.9
152.48781	0.7
153.01942	0.7
157.06392	0.8
159.04353	2.7
159.05586	0.7
161.02277	2.6
161.04411	3.7
161.05913	2.5
163.00375	3.5
163.03831	5.1
165.01811	0.7
165.92906	0.6
169.06621	0.9
172.05138	2.2
173.05905	3.0
175.03903	1.1
175.07666	5.1
176.01180	8.9
177.01945	52.2
177.03477	1.9
178.02301	3.3
179.10724	0.8
185.05995	0.9
187.03864	2.1
187.07561	1.6
188.01030	2.1
189.01952	47.4
189.09186	3.6
190.02536	4.5
191.03346	6.0
191.05437	2.5
197.05927	0.9
199.07587	1.5
200.04591	2.6
201.01921	8.8
201.05353	0.8
201.09206	3.7
202.02554	1.8
203.03484	4.3
203.07030	1.4
205.04944	1.0
211.04008	0.8
211.07549	1.4
212.04787	4.3
213.05412	2.9
213.09076	0.8
214.02750	3.4
215.03548	5.0
215.06911	0.6
216.00638	62.8
217.01401	49.3
218.01785	4.2
219.02991	8.0
223.09630	0.8
224.04849	0.8
225.05473	1.8
226.06268	1.0
227.06947	1.7
229.01411	25.6
229.04822	3.9
229.08685	11.1
230.02034	4.1
230.08832	0.7
231.02986	3.9
233.04399	1.7
241.05054	20.4
241.08655	8.3
242.02211	12.9
242.04761	1.4
243.02696	3.2
243.06491	3.1
253.04939	1.1
255.06339	1.3
256.03693	1.4
267.06503	1.4
268.03577	1.2
269.04526	12.9
270.04779	1.9
271.06097	29.6
272.06329	2.9
281.04568	5.7
282.05161	2.6
283.06113	35.7
284.06464	4.3
285.07669	1.2
295.06046	1.7
297.07513	1.1
299.07425	0.8
310.04858	7.0
311.05606	47.6
312.05963	5.7
313.07211	8.5
323.05606	12.7
324.06097	1.3
325.07053	5.6
325.12799	1.4
326.07294	0.9
327.08807	1.5
333.20660	1.0
337.07175	1.9
339.04996	1.2
367.12134	0.9
369.22986	1.5
372.06461	2.5
375.12677	0.9
385.14951	2.3
391.11591	3.3
399.23892	4.2
401.10187	6.2
402.10797	1.2
411.28171	0.8
419.11349	100.0
420.11694	15.8
429.29990	1.0
433.09000	1.1
437.12543	2.0
438.13071	0.9
441.30084	5.0
442.30576	1.2
455.28094	1.6
457.29617	2.2
469.25809	0.8
469.57178	0.8
483.27795	0.8
495.14499	5.4
495.21436	1.2
501.28366	3.7
502.29062	0.9
513.15479	66.7
514.15845	17.0
531.16614	2.7
531.29651	37.0
532.17242	1.1
532.29980	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	531.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47943	0.2
57.03440	0.3
59.01376	2.8
61.98830	1.9
63.38434	0.2
65.00344	0.2
69.49952	1.7
71.01384	4.0
72.99322	0.3
73.02951	0.8
83.01403	0.6
85.02950	1.3
87.00904	0.4
89.02470	0.9
89.03997	0.4
93.03472	0.8
95.01407	0.3
97.02924	0.3
99.00900	0.6
101.02448	2.5
105.19444	0.2
108.02241	0.3
111.00909	0.2
113.02460	1.3
117.03463	1.7
119.05022	1.6
119.66908	0.2
123.04564	0.3
125.02454	0.4
132.02184	19.3
133.02910	1.4
134.03754	20.0
135.04253	0.8
136.01727	0.9
137.02435	0.7
139.04013	0.3
143.03534	0.2
145.02954	2.7
147.04543	1.8
148.05315	1.1
149.02454	0.7
149.06093	4.0
150.03252	0.3
150.06493	0.2
151.00375	0.4
151.04021	0.2
155.10823	0.3
159.04474	0.2
160.01669	79.3
161.02036	4.9
161.04579	0.8
161.05905	0.2
162.03285	0.2
163.04007	1.4
163.06128	0.3
163.11276	0.4
164.58885	0.2
174.03148	1.0
175.04013	100.0
176.04495	7.5
177.01913	1.8
177.05371	0.6
178.02715	2.5
178.10477	0.2
179.03473	0.8
181.07095	0.3
189.01949	1.4
189.05576	0.5
190.02576	0.2
191.07155	5.2
192.04301	0.4
192.07481	0.4
193.05063	27.3
194.05357	1.7
201.01884	0.3
202.02728	1.5
205.05048	0.6
205.08664	1.1
207.06613	1.0
216.00677	1.4
217.01631	1.3
217.05035	7.3
218.05450	0.6
220.03757	0.5
223.13419	0.3
229.01411	0.5
229.08693	0.4
231.06767	0.2
235.06094	8.2
236.06479	0.6
241.05081	0.4
241.08882	0.3
242.02036	0.3
247.06195	0.3
259.06116	0.5
265.07141	3.7
266.07449	0.3
271.03235	0.2
271.06088	1.1
272.06363	0.2
277.07068	0.3
283.06000	1.0
295.08231	6.0
296.08472	0.6
300.02759	0.2
307.08237	0.3
311.05557	1.1
319.08224	0.2
323.07834	1.3
325.11462	0.5
337.09274	26.5
337.89270	0.2
338.09616	2.9
355.10315	1.9
367.10480	0.4
369.19183	0.3
384.51968	0.2
399.23972	0.5
401.09814	0.2
419.11340	2.2
420.11441	0.3
441.30759	0.3
471.12845	0.4
513.15204	1.1
514.15979	0.4
531.15045	7.3
531.23901	2.1
531.28223	1.3
532.15515	1.5
532.24359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
59.56427	0.1
61.78162	0.1
61.98829	100.0
69.03430	0.1
71.01389	1.5
71.12116	0.2
71.12460	0.2
73.02957	0.6
75.00909	0.1
75.59309	0.1
83.01456	0.2
83.05000	0.1
85.02953	0.6
87.00876	0.3
89.02452	0.7
93.03484	0.6
98.03262	0.1
99.00935	0.2
101.02460	0.8
109.03073	0.1
113.02477	0.6
117.03477	0.3
119.01373	0.2
119.03645	0.4
119.05042	11.7
121.02968	2.7
121.03772	0.2
122.03331	0.9
123.04540	0.2
125.02470	0.3
131.03546	0.2
132.91235	0.1
135.04549	0.2
137.02469	0.3
145.02968	0.4
149.02467	0.3
153.05574	0.2
155.10818	0.2
159.03130	0.2
161.02484	0.5
161.04630	0.3
163.04025	10.6
164.04846	0.4
165.01981	0.1
173.04529	1.0
175.00397	1.2
176.01195	0.3
177.05608	0.3
179.05672	0.2
190.02730	3.5
191.03534	0.4
191.05589	0.2
205.05093	3.2
216.11412	0.1
222.75072	0.2
223.06122	0.4
227.07149	0.3
230.95590	0.2
233.75345	0.1
255.03096	0.3
261.09409	0.2
283.02521	0.2
284.03278	0.2
284.08365	0.1
285.04230	0.5
325.10800	0.3
339.32864	0.1
349.08517	0.3
353.08984	0.5
367.10339	3.8
369.17123	0.3
457.11166	0.2
467.19507	0.4
471.06738	0.2
530.21405	0.3
531.14453	2.5
531.21259	0.5
531.28632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81022	0.2
51.32640	0.2
53.98772	0.2
54.30563	0.2
57.03441	0.2
59.01366	4.0
61.98828	100.0
62.98528	0.2
63.02435	0.2
64.13490	0.2
65.00330	0.6
71.01382	2.3
71.52915	0.4
72.99319	1.2
73.02959	0.7
83.01393	0.5
85.02953	0.9
88.98788	0.2
89.02441	1.4
89.03973	0.2
93.03474	2.5
97.02945	0.2
101.02443	1.4
101.60973	0.2
103.27905	0.2
107.01399	0.8
107.05032	0.2
108.02196	0.6
109.03002	0.9
113.02464	0.9
116.92857	0.3
117.03479	2.1
119.03633	0.3
119.05040	5.8
121.02979	0.6
123.04556	0.3
124.01687	0.2
125.02480	1.3
131.03545	0.5
133.02966	1.3
134.03824	0.2
135.00925	0.4
135.04538	0.8
137.02480	1.0
145.02968	6.9
146.03772	0.3
147.04680	0.2
148.01677	0.6
149.02466	0.4
149.04578	0.2
150.03319	0.7
151.00374	2.7
151.04036	0.4
153.01973	0.2
155.10834	0.5
159.04544	0.4
160.01707	0.2
161.02496	0.7
161.04741	0.3
161.06082	0.4
163.00398	0.6
163.04030	4.5
164.01147	0.2
172.05359	0.4
173.04683	0.2
173.06061	0.4
174.03413	0.2
175.03990	0.5
175.07677	0.4
176.01169	1.0
177.01936	6.4
177.05429	0.2
178.99951	0.7
179.05617	0.2
179.10822	0.4
185.06151	0.2
187.04068	0.7
187.07596	0.4
189.01941	7.2
189.09253	0.4
190.02722	0.4
191.03548	0.7
191.05643	0.6
192.06030	0.2
198.03343	0.2
199.04097	0.3
199.07658	0.2
200.04857	0.3
201.01955	1.7
201.09261	0.6
202.02847	0.2
203.03580	0.7
203.07175	0.3
205.05078	0.4
212.04861	0.4
213.05649	0.2
213.80948	0.2
214.02734	0.3
215.03595	0.7
215.07146	0.3
215.98538	0.5
216.00627	8.3
217.01401	6.1
217.08678	0.3
219.02945	1.0
225.05710	0.2
226.02788	0.3
226.06145	0.2
227.03621	0.4
227.07164	0.3
229.01416	3.3
229.05099	0.6
229.08707	1.5
231.03198	0.5
239.07239	0.2
241.05025	3.0
241.08630	1.0
242.02216	1.5
243.02939	2.5
243.06676	0.4
247.09779	0.3
254.02222	0.4
255.02991	5.0
255.05920	0.3
269.04529	1.3
271.02554	10.5
271.06152	4.6
272.03436	0.2
281.04669	0.6
282.05539	0.3
283.06110	5.3
283.09106	0.4
285.04108	0.8
285.07687	0.2
287.05630	0.9
295.06143	0.2
299.01990	1.0
300.02740	17.7
301.03549	1.2
303.05182	0.4
310.04993	0.7
311.05609	5.5
311.09055	0.3
313.07181	1.1
323.05533	1.4
325.07339	0.6
327.08954	0.2
337.07391	0.2
369.22842	0.3
372.06519	0.3
383.22293	0.2
391.12488	0.2
399.24283	0.3
401.10184	1.0
419.11322	13.7
437.12637	0.3
441.30142	0.7
457.29590	0.5
470.26318	0.4
471.08786	0.3
471.23318	0.5
489.10614	0.6
495.14529	0.7
501.28522	0.8
513.15485	9.2
530.27606	1.0
531.10693	7.2
531.23181	1.0
531.29608	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	529.353
Annotation	Rubianol b
Peak:m/z	Relative Intensity
59.01376	14.3
61.76875	0.6
61.98815	2.7
65.86118	0.5
73.02942	28.4
112.36909	0.5
167.73560	0.6
325.25320	1.1
335.27475	0.9
351.26868	16.3
351.30643	9.3
352.27133	2.7
352.30969	1.6
363.30377	0.9
381.31616	4.5
382.32050	1.1
389.32031	0.9
405.31366	0.9
407.32501	0.8
425.30692	5.2
426.31375	0.9
451.31955	1.4
469.27866	0.6
469.33182	31.4
470.33478	5.7
529.35284	100.0
530.35663	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	530.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98829	100.0
65.12016	0.2
67.01890	0.2
70.01627	0.2
70.07516	0.9
70.64587	0.1
71.01382	0.8
75.00878	0.2
83.01408	0.2
85.02973	0.5
87.00887	0.6
89.02470	0.4
93.03460	1.5
94.03832	0.4
96.96986	0.2
101.02454	0.5
111.04522	0.4
112.70396	0.1
113.02444	0.3
115.92066	0.2
117.03514	1.0
118.03818	0.4
119.05043	0.4
125.02473	0.3
129.01938	0.3
134.03712	0.4
135.04044	0.1
145.02959	4.6
146.03325	2.7
146.04485	0.2
146.08177	0.2
163.04044	0.6
163.38329	0.1
173.04578	0.5
179.03320	0.2
191.05592	2.0
192.00705	0.2
192.05997	0.7
193.05095	0.3
194.05504	0.2
203.12973	0.2
207.02962	0.2
344.12973	0.2
357.10031	0.3
367.11221	0.2
368.10907	0.2
386.12439	0.2
459.15259	0.2
488.14651	0.3
530.15765	2.4
531.16144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3529
Annotation	Holstinone A
Peak:m/z	Relative Intensity
55.88266	0.3
57.03446	4.8
59.01379	17.7
60.99327	1.0
67.61913	0.4
69.43577	2.7
73.02954	3.4
79.04723	0.3
83.05063	0.7
174.53041	0.3
175.26466	0.3
200.33241	0.3
232.80722	0.3
365.28506	1.0
369.31659	0.9
391.30167	1.5
393.27866	0.5
407.28940	0.5
407.33591	0.6
423.32822	1.3
451.32156	7.0
452.32764	1.5
469.33224	46.6
470.33582	9.6
470.40353	0.5
529.35284	100.0
530.35675	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	529.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73824	0.3
57.03463	0.7
59.01376	15.0
60.99326	1.1
61.98851	0.3
62.27994	0.3
71.06586	0.6
73.02943	3.1
87.47365	0.3
99.76039	0.3
121.74138	0.3
157.97591	0.3
301.51144	0.3
327.26523	0.3
339.26862	0.5
365.28476	2.4
366.29013	0.7
369.31595	0.7
405.31488	0.9
405.54492	0.4
407.33319	1.2
419.52545	0.3
421.31326	0.5
423.32739	1.6
451.32114	7.6
452.32376	2.3
469.33221	50.2
470.23093	0.4
470.33588	9.9
529.35278	100.0
530.35626	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3532
Annotation	Rubianol b
Peak:m/z	Relative Intensity
50.94835	0.2
51.66135	0.2
59.01085	0.3
59.01376	5.2
60.37071	0.2
61.98834	1.9
68.74738	0.2
71.65100	0.4
78.95909	0.3
85.02905	0.3
115.02581	0.2
168.01743	0.2
184.05310	0.3
238.65408	0.2
254.68040	0.2
272.81461	0.2
307.36328	0.2
395.09198	2.1
396.09872	0.5
405.07657	0.9
407.29617	0.3
413.10397	0.5
423.09042	1.3
423.28796	0.3
424.09412	0.5
439.12433	0.3
439.27859	0.2
441.09283	0.3
456.12109	0.4
457.12918	1.8
458.13260	0.4
467.11414	3.3
468.11722	0.9
469.33572	9.7
470.33997	1.8
485.12357	2.2
485.28659	0.6
486.12833	0.7
497.29245	0.4
511.13919	3.0
512.14453	0.5
529.15033	24.8
529.35425	100.0
530.15399	5.7
530.35742	22.0
553.20734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64717	0.3
53.75881	0.3
57.03445	0.9
59.01377	15.9
60.37238	0.3
60.99318	0.5
66.50500	0.3
69.42271	2.2
71.05019	0.4
73.02948	3.2
82.51631	0.4
98.19901	0.6
113.69707	0.3
176.64552	0.3
223.67111	0.3
239.80963	0.3
305.43243	0.3
353.28708	0.5
365.28665	0.4
369.31531	1.1
383.29645	0.5
391.30295	0.6
395.29276	0.5
421.31082	0.8
423.32581	1.9
424.33197	0.4
425.34122	0.4
443.55389	0.4
451.32138	7.7
452.32681	1.5
469.33194	48.3
470.33557	10.3
487.34586	0.3
529.35260	100.0
530.35632	19.6
530.43848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.353
Annotation	Holstinone A
Peak:m/z	Relative Intensity
50.00645	0.3
57.03454	0.9
59.01377	16.0
60.99310	1.1
61.98474	0.3
61.98841	0.9
69.45025	0.3
69.45330	2.8
70.11700	0.3
73.02947	4.0
83.05049	0.5
92.49973	0.3
293.24844	1.1
365.28564	0.4
369.31662	1.0
383.29306	0.4
391.29922	0.8
395.17230	0.4
395.29623	0.5
407.32907	1.1
421.31082	0.9
423.32767	2.5
424.32794	0.5
451.32135	8.5
452.32297	1.0
469.33170	49.0
470.33511	8.8
473.97711	0.3
497.71179	0.4
529.35254	100.0
530.35614	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	529.3171
Annotation	Fusilactidic acid
Peak:m/z	Relative Intensity
55.29051	0.4
57.03444	7.3
59.01377	17.5
60.99310	1.0
61.98830	6.9
68.58510	0.4
71.01396	2.2
72.99297	0.5
73.02949	3.0
75.00892	1.7
78.95905	11.7
85.02951	2.8
87.00900	0.8
88.90246	0.4
99.00893	1.0
113.02454	3.1
122.34779	0.4
152.99611	1.7
160.52602	0.5
167.12939	0.4
168.04388	2.1
183.73856	0.4
191.05525	0.6
224.06912	6.3
229.43077	0.5
242.07932	1.7
249.06302	0.5
255.23274	75.0
267.07196	0.7
279.23276	6.9
279.33829	0.4
280.23660	0.8
365.28708	0.6
367.26318	0.7
369.28177	0.8
381.28003	2.7
382.28171	0.7
389.28369	0.8
393.24350	0.9
395.25919	1.9
407.24670	0.5
407.29532	8.2
408.29675	1.3
409.27328	1.6
421.27737	0.7
423.29044	4.1
424.29330	0.9
425.30450	3.1
441.30969	0.5
451.28360	6.8
452.28864	1.5
469.29413	48.0
470.29791	10.3
480.30927	56.7
487.30600	0.5
529.31366	100.0
530.31653	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	529.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
59.01376	35.5
60.99312	0.7
61.98828	6.5
64.50182	0.5
69.73772	4.1
71.01361	0.7
71.05025	1.8
73.02934	4.4
78.95925	0.9
82.75237	0.6
83.05039	0.6
83.53085	0.8
99.92580	1.1
101.02443	2.8
115.92113	2.2
116.92880	1.8
151.76205	0.7
152.99609	1.3
191.05661	2.0
205.18039	0.5
279.23370	1.9
299.94235	0.6
351.30417	3.5
371.49734	0.7
405.31644	0.9
407.33170	2.3
423.32626	1.7
426.07852	0.6
451.32086	5.5
452.32645	1.1
455.34332	1.9
456.35870	0.7
457.36221	0.7
469.33215	54.8
470.33591	10.9
501.35428	0.8
529.18665	2.7
529.35364	100.0
530.35767	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	529.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95874	0.5
57.03442	1.2
59.01377	29.9
60.99295	2.0
61.98830	3.2
69.36403	4.9
71.94646	0.5
73.02949	5.5
78.95898	0.7
85.02937	0.8
93.03468	1.1
94.70882	0.6
98.03737	6.1
105.54594	0.5
107.76695	0.5
111.04574	0.6
111.08185	1.0
137.02489	0.7
191.05666	1.1
207.90851	0.6
212.90247	0.4
260.79959	0.6
272.09915	0.5
281.18958	0.5
283.13370	1.0
342.54034	0.5
381.27731	2.7
399.14560	0.7
407.25311	0.8
407.29544	5.6
408.29706	1.0
423.28677	2.7
425.30524	2.4
451.27985	8.4
452.28900	1.8
469.28885	49.7
470.29178	9.5
471.34723	1.6
485.78558	0.6
529.31006	100.0
530.31427	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3163
Annotation	Heteronemin acetate
Peak:m/z	Relative Intensity
53.18446	0.2
53.25126	0.2
57.03447	1.1
59.01379	15.5
60.01744	0.3
60.99304	1.1
61.98837	1.0
64.21873	0.2
69.03483	0.5
71.01411	0.3
71.05074	0.5
71.64594	0.3
73.02953	3.5
85.02954	12.7
86.03358	0.3
86.98608	0.2
89.67791	0.2
91.18027	0.2
98.03812	0.7
128.22841	0.2
133.52956	0.2
195.47496	0.2
214.66089	0.2
349.25412	0.2
351.27103	0.7
352.27188	0.2
353.25168	0.3
356.62271	0.3
367.26395	0.3
368.27158	0.7
369.27991	0.4
389.28641	0.3
391.26474	0.3
395.25790	0.6
405.28143	0.3
406.28342	0.3
407.29636	1.0
408.29611	0.2
423.29172	1.5
424.29828	0.3
433.28094	0.2
451.28491	7.0
452.28903	1.4
469.29562	50.5
470.29916	10.3
487.30566	0.3
529.31616	100.0
530.31970	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	529.3164
Annotation	Fusilactidic acid
Peak:m/z	Relative Intensity
57.03448	3.0
59.01376	24.6
61.30266	0.5
61.98824	9.7
69.03457	1.4
71.01390	3.5
71.05007	1.7
71.59354	0.9
72.99306	6.3
73.02953	3.9
83.05025	0.9
85.02959	2.3
87.00904	1.0
89.02456	2.6
93.03461	1.4
97.06564	0.9
101.02448	3.3
111.08150	0.6
113.02458	1.7
141.57228	0.5
159.56749	0.5
161.04582	2.1
173.04599	1.0
179.69836	0.6
182.15207	0.5
195.13892	3.6
223.13412	2.1
253.09265	12.6
275.20255	2.7
293.21210	41.1
294.21545	5.2
302.54132	0.5
336.59302	0.5
346.05197	0.6
351.22818	0.6
379.26337	1.0
397.27393	3.8
409.27155	0.7
411.25467	1.2
421.27802	0.8
423.28802	1.2
451.28647	5.0
452.28995	1.2
457.29507	2.6
458.29944	0.9
462.04370	0.6
469.29599	45.3
470.29907	8.6
481.26419	0.8
529.31726	100.0
530.32043	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	529.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
61.98827	0.3
69.80457	1.2
71.01383	4.0
73.02937	1.3
75.00882	0.4
81.00251	0.2
83.01396	1.2
85.02968	1.3
87.00869	1.3
89.02454	2.4
93.03488	0.6
95.01414	0.2
97.02925	0.2
98.19904	0.4
99.00889	0.6
101.02448	2.3
109.03033	0.2
113.02464	2.1
117.03479	20.4
118.03806	0.7
119.03519	0.8
119.05045	2.1
121.25278	0.2
125.02399	0.2
125.09689	0.3
143.03520	0.6
145.02968	100.0
146.03304	5.4
159.03207	0.2
161.02467	0.3
161.04602	0.7
163.04024	4.7
164.04338	0.4
173.04530	0.8
173.05978	0.2
175.08221	0.2
179.05615	0.6
187.09709	0.5
307.08331	2.0
308.08640	0.3
323.10034	0.3
341.10925	2.4
342.11258	0.2
383.11884	0.8
423.97046	0.2
459.92868	0.2
469.13248	0.8
487.14804	0.9
529.15381	10.4
530.15820	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69658	0.2
55.01894	0.3
57.03453	0.7
58.00607	0.3
59.01379	9.2
61.98833	2.7
61.99139	0.2
64.68308	0.2
68.11909	0.2
69.03457	0.4
70.80493	0.5
71.01388	6.0
72.99311	2.0
73.02933	0.9
78.95921	0.3
80.09092	0.2
82.05257	0.2
83.01410	0.7
83.05060	0.4
85.02958	1.5
87.00911	0.7
89.02454	5.6
91.04025	0.3
93.03503	0.3
95.01403	0.4
96.97009	0.2
99.00912	0.3
99.04535	0.2
101.02457	6.8
109.06618	0.2
111.08208	0.5
113.02466	3.0
113.09766	0.4
119.03526	1.5
125.09761	0.2
131.03488	0.2
135.04610	0.2
137.09740	0.2
143.03552	0.7
161.04568	2.8
167.10820	0.3
177.12898	0.3
177.16614	0.3
179.05626	1.2
179.14438	0.9
181.12315	0.3
191.05591	0.3
195.13922	9.7
196.14378	1.0
205.12375	0.8
205.15996	0.3
209.11731	0.3
211.13438	0.6
223.13403	5.8
224.13786	0.4
228.13606	0.9
231.21230	0.4
235.08269	0.3
249.22238	0.3
253.09288	32.9
254.09615	1.9
256.13263	1.1
265.21683	0.3
275.20169	5.8
276.20496	0.4
289.18268	0.2
293.21219	100.0
294.21564	12.0
307.19257	0.5
353.65356	0.2
457.28491	0.3
469.29901	1.2
481.25974	0.2
492.22034	0.9
529.28735	2.4
529.31311	2.4
530.31317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37086	0.2
56.13013	0.2
57.70418	0.1
59.01376	4.6
61.98829	0.8
66.98741	0.2
69.36938	0.9
69.37363	0.8
71.01385	2.5
73.02943	2.1
79.15718	0.1
83.01394	0.7
85.02962	0.7
87.00885	1.6
89.02449	2.0
93.03506	0.2
95.01424	0.3
99.00846	0.2
101.02448	2.5
113.02467	1.5
114.02809	0.2
117.03475	20.5
118.03799	1.1
119.03528	0.6
119.05026	2.7
120.05355	0.2
124.55490	0.2
131.03526	0.3
137.55243	0.2
141.01976	0.3
143.03534	0.3
145.02965	100.0
146.03310	5.3
161.04596	0.2
163.04007	5.5
164.04358	0.4
165.27231	0.2
179.05568	0.5
192.12444	0.2
214.68709	0.2
217.05020	0.3
266.19092	0.2
267.00653	0.2
307.08258	2.6
308.08389	0.3
323.10043	0.3
341.10953	1.4
346.77155	0.2
383.12033	1.1
469.13556	1.1
470.13937	0.3
487.14645	1.2
488.14929	0.2
529.15546	11.8
530.15857	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	529.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29274	0.2
58.44914	0.2
59.01378	4.4
61.98834	2.1
69.03479	0.2
70.62608	0.2
71.01387	2.9
72.99273	0.2
73.02946	0.4
83.01375	0.9
85.02954	0.6
85.34043	0.2
87.00887	0.6
89.02442	2.5
93.03448	0.3
95.01399	0.4
99.00922	0.2
101.02455	1.3
108.01105	0.2
113.02480	1.8
117.03481	21.3
118.03837	0.8
119.03528	0.7
119.05035	5.6
120.05367	0.3
125.02450	0.3
126.01747	0.2
132.85715	0.2
134.53433	0.2
141.01974	0.2
143.03535	0.4
145.02966	100.0
146.03302	5.4
161.04584	0.4
163.04028	8.3
164.04398	0.3
173.06108	0.3
179.05612	0.4
205.05203	0.3
217.04990	0.5
235.06075	0.3
307.08231	3.9
308.08426	0.3
323.09933	0.2
341.10855	1.5
390.93872	0.2
426.41013	0.2
469.13437	3.7
470.14050	0.6
487.14539	4.3
488.15430	0.3
529.15533	14.8
530.15906	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	529.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76356	0.2
57.03432	0.2
59.01378	4.8
59.93194	0.2
61.98840	0.4
69.29325	0.3
69.29727	1.5
71.01382	3.8
72.99318	0.2
73.02952	0.4
75.00867	0.4
75.12524	0.1
75.12949	0.2
83.01405	1.2
85.02954	0.9
85.85365	0.2
87.00871	0.9
89.02454	3.8
95.01434	0.4
100.07697	0.2
101.02437	2.0
101.24620	0.2
108.02097	0.2
113.02468	2.6
113.44943	0.2
117.03480	21.0
118.03822	0.8
119.03529	1.1
119.05032	2.3
121.02955	0.2
125.02496	0.6
131.03563	0.3
132.67796	0.2
137.02452	0.2
139.00372	0.3
143.03534	0.6
145.02965	100.0
146.03293	5.6
151.00337	0.2
152.01215	0.2
161.02429	0.3
161.04570	0.7
163.04012	4.7
179.05580	0.8
179.38841	0.2
307.08197	1.4
323.09799	0.7
341.10898	3.4
342.11084	0.4
377.14606	0.2
383.11987	0.7
469.13464	1.0
469.22745	0.3
487.14603	1.2
529.15436	9.9
530.15759	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	529.1498
Annotation	Guibourtinidol-(4alpha->6')-fisetinidol
Peak:m/z	Relative Intensity
52.63769	0.3
57.03450	0.4
58.09358	0.3
59.01375	11.0
61.01797	0.3
61.98817	2.7
70.54871	0.3
71.01391	0.3
73.82553	0.3
78.95914	0.4
85.02937	0.3
98.20674	0.7
206.44406	0.3
353.08032	0.4
367.06091	0.7
367.10483	0.4
369.11371	0.5
370.08206	0.4
380.06866	0.6
380.95215	0.3
382.08551	0.4
383.09604	0.4
385.10825	1.2
393.07590	0.5
394.08469	1.0
395.04367	0.4
395.09305	8.1
396.09787	1.3
397.06796	0.5
399.08713	0.5
405.07648	3.3
406.08249	0.8
407.29120	0.6
409.06879	0.7
410.07867	0.5
413.10471	2.1
423.09131	3.8
424.09421	1.7
429.09515	0.4
432.52841	0.4
439.11853	1.0
441.09604	0.7
449.10229	0.4
451.28561	1.2
455.11295	0.7
456.12006	1.1
457.12894	7.0
458.13464	1.4
467.11411	11.1
468.11826	1.8
469.29202	3.1
469.33557	2.7
470.29153	0.5
485.12439	9.6
486.12827	1.8
497.28979	0.6
511.13919	10.6
512.07611	0.4
512.14264	2.2
528.34119	15.7
529.14978	100.0
529.35583	56.1
530.15344	19.5
530.36005	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	528.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64481	0.2
57.03458	0.3
59.01378	2.3
60.40648	0.1
61.98829	100.0
69.28634	0.2
69.38448	1.1
69.38865	0.5
71.01391	1.6
73.02956	0.4
75.00865	0.3
83.01393	0.4
83.05070	0.2
85.02975	0.5
87.00903	0.3
89.02448	1.3
93.03465	0.3
95.01417	0.2
98.19900	0.2
99.00870	0.3
99.04546	0.2
101.02468	1.2
108.02215	0.3
109.02950	0.8
113.02459	0.7
116.92877	0.6
117.03503	0.3
118.82312	0.2
119.03539	0.6
119.05018	0.3
121.02973	1.2
122.03584	0.2
123.00922	0.2
123.04555	0.7
124.01695	0.6
125.02457	1.8
131.03642	0.2
133.02959	0.2
135.04538	0.3
137.02466	0.7
139.03983	0.4
145.02963	0.9
146.04672	0.4
149.02534	0.3
149.99609	0.5
151.00366	0.2
151.04063	0.3
153.02010	0.2
155.10826	0.3
159.03159	0.2
159.12621	0.2
160.01672	0.4
161.02504	0.8
161.04628	0.2
163.04059	0.3
165.01996	0.5
166.02322	0.3
168.00690	1.1
175.04037	0.4
177.01939	1.0
177.04138	0.3
179.05679	0.5
183.03015	0.3
186.59050	0.2
189.01935	1.8
190.02773	0.6
191.03502	0.6
203.03561	0.5
205.05078	0.4
216.00676	0.6
217.01421	1.3
219.03015	0.6
221.06709	0.2
231.02971	0.6
232.81328	0.2
275.65219	0.2
289.07190	0.3
313.11661	0.2
323.09915	0.3
324.10260	0.4
341.06622	3.2
342.07040	0.2
348.18988	0.5
355.08545	0.3
376.06656	0.3
381.06207	2.1
401.80124	0.2
431.34824	0.2
465.11865	4.3
466.12372	0.6
473.24194	0.2
528.11206	0.3
528.18951	0.7
528.26068	0.4
529.19128	2.4
529.25995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25406	0.2
57.03473	0.2
59.01376	2.8
61.98831	100.0
67.42825	0.2
69.27397	0.2
69.59216	0.2
69.59614	1.3
71.01406	0.9
72.99329	0.2
73.02966	0.6
74.66657	0.2
75.00883	0.7
78.95939	0.3
83.01379	0.3
85.02968	0.5
87.00919	0.3
89.02467	0.7
91.01895	1.1
92.02246	0.4
93.03467	1.4
97.02927	0.2
97.91061	0.2
98.20704	0.2
99.04553	0.2
100.63441	0.2
100.92043	0.2
101.02482	0.7
103.00414	0.7
104.03582	0.4
105.01962	2.1
107.01389	0.2
108.02209	0.4
109.02974	0.7
111.04576	0.2
113.02477	0.4
117.03508	0.3
119.05044	0.6
123.00881	0.2
123.04559	1.1
125.02466	1.0
133.03041	0.3
135.00911	0.5
137.02495	1.7
139.04089	0.4
140.04474	0.2
141.09262	0.2
145.03008	0.8
147.04616	0.2
149.02512	0.2
151.00339	0.8
151.04039	0.5
153.01997	0.4
155.10849	0.2
161.02510	0.9
161.04514	0.2
163.04141	0.3
164.60777	0.2
175.03987	0.3
177.01933	1.3
178.99852	1.2
180.00246	0.3
187.11388	0.2
189.01962	1.8
190.02718	0.5
191.03574	0.4
191.05673	0.3
203.03459	0.3
211.07780	0.3
216.00761	0.4
217.01378	1.6
218.01840	0.3
219.03017	0.6
231.03056	0.5
271.06146	1.0
272.06479	0.2
289.07285	0.2
311.75397	0.2
341.06662	3.7
341.10474	0.3
342.07065	0.3
355.08176	0.3
411.16327	0.2
448.38098	0.2
452.18066	0.3
465.11920	6.3
465.18100	0.4
466.12143	0.9
493.20938	0.6
528.17596	1.8
529.26862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3375
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
57.03468	0.9
59.01381	15.9
60.99314	1.6
61.98822	0.4
68.99841	0.2
71.01385	0.2
73.02955	4.1
73.03327	0.3
80.13937	0.2
83.05053	0.4
97.06633	0.2
98.19817	0.3
117.17029	0.2
225.76521	0.2
337.25476	0.3
340.38657	0.2
340.43054	0.2
351.26950	0.4
367.30276	0.3
379.30197	0.7
391.26404	0.2
393.27933	0.5
394.17154	0.2
403.30511	0.4
405.31726	6.8
406.32095	1.5
419.29779	0.9
420.29398	0.2
421.31171	2.4
422.31158	0.4
423.32687	1.0
424.33112	0.4
431.29544	0.4
447.28842	0.3
449.30597	9.5
450.30927	1.9
455.35416	0.3
465.33453	0.3
467.31665	54.8
468.31995	11.1
468.38727	0.5
485.32843	0.3
527.33746	100.0
528.34088	25.3
544.27264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76031	0.1
57.03456	0.4
59.01377	2.6
60.01697	0.2
61.98830	100.0
62.98528	0.3
62.99268	0.1
65.00340	0.3
66.61341	0.1
69.71168	0.9
71.01397	1.0
73.02951	0.5
75.00886	0.5
78.95917	0.3
81.48672	0.1
83.01411	0.4
85.02962	0.5
86.67782	0.1
87.00893	0.4
88.98836	0.2
89.02471	0.6
93.03490	0.2
95.01400	0.2
96.96032	0.4
96.96985	0.2
97.02926	0.2
97.06620	0.2
98.19994	0.3
99.00903	0.2
101.02432	0.6
107.01424	0.3
109.02943	0.3
113.02468	0.4
117.03477	1.5
119.03576	0.3
119.05067	0.4
121.02996	0.3
122.11848	0.1
125.02465	6.0
129.02005	0.2
137.02475	0.4
141.05623	0.2
143.03445	0.2
145.02969	7.3
149.02403	0.9
151.00389	1.7
151.04051	0.3
152.01247	0.2
153.01955	2.0
160.03975	0.2
160.53532	0.1
161.02470	0.2
161.06017	0.1
163.04019	0.8
167.03529	0.2
175.00427	0.4
175.04045	0.6
177.01939	1.3
177.04092	0.3
178.99898	1.5
179.03528	0.2
179.05629	0.2
181.01413	0.8
189.05661	0.2
191.05602	0.3
199.04105	0.3
217.05130	0.4
241.05130	0.3
259.06161	0.3
275.05591	1.6
285.04037	3.6
286.04477	0.4
299.05447	0.3
303.05093	15.3
304.05396	1.3
307.08286	0.3
327.05096	0.3
341.05115	1.0
343.06790	0.3
383.11969	0.4
384.12402	0.2
421.20856	0.1
425.12961	0.3
426.13364	0.3
431.11972	0.2
437.11011	0.3
447.09256	0.3
465.10345	2.7
465.16550	0.2
466.10773	0.3
469.13437	0.3
487.14746	0.5
528.20020	0.2
529.15570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29427	0.1
52.93008	0.1
57.03429	0.2
58.79834	0.1
59.01380	1.9
59.26012	0.2
61.92359	0.2
61.98828	100.0
62.98529	0.2
65.00310	0.2
66.25748	0.2
66.40268	0.1
68.07336	0.2
70.36689	0.6
71.01379	0.9
72.99349	0.2
73.02962	0.3
75.00878	0.4
83.01380	0.3
85.02962	0.3
87.00902	0.3
88.98820	0.2
89.02447	0.6
91.01909	0.7
92.02258	0.3
93.03477	1.5
97.02997	0.2
99.04523	0.2
101.02465	0.5
103.00365	0.4
103.04035	0.2
104.03555	0.2
105.01945	1.8
105.46806	0.1
107.01419	0.2
108.02212	0.5
109.02971	0.8
113.02448	0.3
114.15788	0.2
117.03465	0.2
119.03586	0.2
119.05056	0.8
123.04512	1.0
124.01709	0.2
125.02436	0.9
134.03722	0.2
135.00911	0.4
137.02460	2.3
138.02872	0.2
139.04031	0.3
145.03008	0.7
147.04552	0.3
149.99657	0.2
150.03252	0.2
151.00400	0.7
151.04025	0.2
152.01044	0.2
153.01987	0.3
155.10793	0.3
160.01735	0.2
161.02475	0.8
161.04599	0.2
163.00452	0.2
163.04024	0.3
165.01862	0.2
168.00691	0.4
175.04089	0.5
177.01982	1.4
178.63231	0.1
178.99849	1.0
180.00249	0.4
189.01950	1.8
190.02722	0.3
191.03542	0.6
191.05594	0.2
199.09834	0.2
203.03545	0.3
203.07147	0.2
204.96254	0.2
205.12425	0.2
216.00636	0.3
217.01418	2.0
218.02077	0.2
219.03023	0.7
231.03087	0.4
271.06042	1.1
285.04010	0.2
286.95367	0.2
289.07303	0.5
341.06659	3.7
341.10519	0.3
342.07144	0.6
353.07022	0.3
355.08243	0.3
367.21439	0.2
452.18140	0.2
465.11896	5.5
466.12085	1.3
493.20880	0.8
528.18463	1.3
528.26135	0.6
529.13684	0.2
529.26929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3375
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
57.03446	0.3
59.01377	17.3
60.99310	1.2
71.05007	0.2
73.02953	3.4
83.05045	0.4
85.06586	1.8
105.64722	0.3
110.94239	0.2
121.06596	0.4
264.57880	0.2
405.31732	5.6
406.32166	1.4
419.29596	0.7
421.30994	1.7
422.31671	0.3
423.32712	0.5
449.30576	8.8
450.30914	1.7
459.74008	0.3
467.31644	50.4
468.31992	10.2
485.32819	0.3
527.33716	100.0
528.34052	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	527.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.6
59.01107	1.2
59.01438	14.2
60.99375	1.2
61.98893	2.3
65.52643	0.3
70.06167	0.3
73.03023	3.2
78.95967	0.8
79.68034	0.4
83.05029	6.5
84.13176	0.3
88.93323	0.3
98.19801	0.6
104.11336	0.4
123.99519	0.4
129.50929	0.3
132.57198	0.4
168.21609	0.4
229.62065	0.5
284.36038	0.4
351.26846	0.9
367.30307	0.8
381.28149	0.5
391.26727	0.4
395.44269	0.4
398.67166	0.4
405.32010	0.7
419.29431	0.7
421.31055	2.1
449.30637	9.4
450.30936	1.6
465.66238	0.4
467.31650	49.1
468.31985	11.1
485.32761	0.6
527.33685	100.0
528.34033	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3371
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
54.60102	0.2
59.01375	30.0
60.01710	0.3
61.98826	1.1
62.36789	0.2
73.02934	0.2
84.02167	0.2
88.34904	0.1
118.96745	0.2
130.55962	0.1
144.11511	0.1
227.03793	0.2
326.84421	0.2
393.31790	0.2
409.31033	0.8
421.31284	0.5
437.30698	0.4
467.32034	1.3
468.32230	0.2
527.33710	100.0
528.34082	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	527.3372
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
50.33763	0.3
57.03436	0.4
59.01378	37.5
60.01720	0.5
60.99311	0.5
61.98822	2.6
69.03465	0.5
73.02972	0.5
76.42297	0.4
85.91666	0.4
87.85754	0.4
89.43977	0.4
91.04430	0.3
95.01436	0.4
96.48079	0.3
99.04531	0.4
109.06635	0.4
113.02565	0.4
116.49576	0.4
116.60961	0.3
133.26111	0.4
149.09671	0.4
172.83916	0.3
176.29375	0.4
229.56047	0.4
229.76465	0.4
267.38135	0.4
277.23044	0.4
291.19846	0.5
293.90176	0.4
332.29007	0.4
405.28091	1.0
411.16116	0.4
449.27335	1.4
455.31735	0.4
467.28452	7.3
467.33478	1.2
468.28195	1.3
489.35898	0.9
527.34058	100.0
528.34399	23.1
530.82166	0.4
554.66998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3375
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
52.05155	0.2
55.01863	0.2
55.03739	0.2
56.26315	0.2
57.03448	0.7
59.01377	26.5
60.01709	0.3
60.99308	1.1
61.98820	1.0
68.99821	0.2
71.05027	0.3
73.02950	3.5
83.05052	0.2
97.06597	1.9
98.19844	0.4
99.04562	0.2
123.08172	0.5
200.17267	0.2
212.71860	0.2
253.09273	0.2
291.19601	1.0
349.25360	0.6
351.27032	0.2
367.29620	0.2
379.29987	0.5
380.30362	0.2
381.27277	0.2
393.28073	0.3
403.30334	0.2
405.26678	0.4
405.31683	6.7
406.32053	1.4
419.30188	0.9
420.30139	0.3
421.31238	2.2
422.31424	0.4
423.32629	1.3
431.29578	0.2
449.30569	8.9
450.30835	2.1
453.33673	3.3
454.33954	0.7
455.11395	0.2
455.35443	2.1
456.35797	0.4
467.31638	51.6
468.31970	10.9
481.32394	0.2
484.00076	0.2
485.32709	0.4
499.34473	0.9
500.34598	0.3
527.33710	100.0
528.34070	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	527.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
57.03445	3.6
58.00586	1.0
59.01376	29.4
60.01744	0.7
61.98828	33.9
63.02399	2.1
65.00313	4.0
67.01873	0.7
67.12586	0.6
69.03436	1.2
71.01382	49.9
72.99311	2.4
73.02949	17.1
75.00874	1.9
81.03463	0.7
83.01389	11.1
85.02953	23.9
86.00130	0.8
87.00880	2.6
88.98813	2.4
89.02438	8.5
92.83035	0.6
93.03471	6.5
95.01401	4.1
97.02950	2.4
99.00887	8.7
101.02450	44.5
102.17729	0.6
107.01405	8.1
107.04909	0.7
108.02209	1.8
109.02958	2.1
111.00867	1.1
113.02460	23.1
114.02743	1.1
119.03647	3.8
119.05033	21.1
120.05395	1.8
121.02947	1.4
123.04542	1.0
124.01675	1.1
125.02448	6.1
129.01907	0.9
131.03462	1.0
136.93994	0.6
137.02478	1.9
139.07652	1.5
143.03534	3.7
145.02963	1.7
146.56970	0.7
148.29257	0.6
151.00388	30.2
151.04012	2.3
152.00887	1.2
153.01968	0.7
159.02972	3.5
161.02449	1.2
161.04578	21.6
161.05930	0.8
164.01218	0.7
164.03619	0.9
165.01920	2.7
167.03511	0.8
168.00658	2.1
169.01407	2.3
175.00342	0.9
175.03947	0.8
177.01984	4.8
179.05696	1.4
191.05579	1.0
195.01210	1.2
207.90450	0.6
209.11884	0.7
224.27072	0.6
263.07761	0.8
271.06085	79.9
272.06415	9.0
287.10294	2.3
289.07126	1.5
295.10394	0.8
305.19650	22.0
306.20062	2.4
313.07184	1.1
331.09308	1.1
363.12024	1.8
451.17398	0.7
467.24951	100.0
468.25284	13.6
509.34332	0.8
527.19861	4.3
528.20917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95953	0.9
57.03433	2.2
59.01091	1.3
59.01378	19.6
61.98792	4.3
69.03440	1.7
69.32122	11.7
71.01385	17.7
72.99291	6.1
73.02916	2.6
75.00875	18.7
80.96471	1.8
85.02959	23.3
85.11649	0.9
86.37881	1.2
87.00876	8.2
89.02407	4.1
95.01398	6.0
99.00893	8.7
103.00384	2.5
113.02466	32.5
115.00309	2.0
117.01923	1.9
129.01912	1.6
175.02470	4.8
205.07095	2.5
221.24448	1.0
223.08113	1.2
249.06079	6.3
256.22031	0.9
264.73108	1.0
267.07184	6.7
277.21719	49.0
278.22076	9.1
309.53223	1.1
449.30365	1.4
467.31781	15.5
468.31653	3.0
509.26913	1.6
527.27942	100.0
528.28198	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79531	0.4
55.01861	0.5
57.03445	0.8
59.01377	100.0
60.01714	1.2
60.26612	0.4
61.98833	2.6
68.99788	0.4
69.03453	0.6
71.01381	10.2
71.65340	0.7
72.99316	1.1
73.02946	6.4
75.00892	1.8
78.95901	2.5
83.01398	3.0
85.02956	3.5
87.00884	6.2
88.98801	0.4
89.02444	6.6
95.01406	0.9
96.96973	0.9
97.02956	0.9
99.00900	1.0
101.02450	10.9
101.03084	0.7
113.02447	6.9
117.03541	0.6
118.34070	0.4
119.03516	2.7
119.05077	0.7
121.02996	1.5
125.02452	1.9
129.01984	1.0
131.03540	1.0
137.02562	0.5
139.04080	0.4
141.01988	0.5
143.03542	2.7
145.02968	2.8
149.04561	0.9
151.04010	0.7
153.02005	1.1
155.10776	0.4
161.02515	0.5
161.04579	3.8
161.05965	0.5
163.04033	1.8
165.01930	0.5
167.03568	0.7
177.04150	0.4
179.05620	2.9
181.05222	0.4
181.07248	0.7
191.05647	0.7
201.11340	0.8
203.05675	0.5
203.12885	3.0
217.94565	0.4
221.06735	1.0
229.09825	4.4
231.05212	0.4
241.09918	1.3
242.10548	0.7
253.09894	1.1
270.10263	2.6
271.10870	1.2
285.08978	1.1
323.10028	2.4
325.11441	0.7
341.10947	4.0
343.12567	0.9
365.10873	6.1
365.18433	0.5
366.11249	0.5
379.11444	0.7
383.11945	24.7
384.12106	1.8
407.12161	0.6
425.12985	28.4
426.13266	3.6
433.16306	2.2
451.17642	1.5
467.14810	0.9
467.21576	1.2
489.16010	2.4
491.16940	0.7
495.16180	0.6
527.10883	0.5
527.17859	1.3
527.23639	1.3
527.31476	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
57.03438	1.9
58.00590	4.5
59.01375	97.3
60.01719	1.3
61.98827	76.5
68.32152	1.2
69.03465	5.6
71.01382	87.4
72.01713	1.7
72.99318	6.5
73.02944	14.1
75.00885	1.7
76.22090	1.0
78.94922	1.1
81.03483	2.2
82.66519	1.3
83.01005	0.9
83.01394	8.1
85.02951	15.1
85.89632	1.1
87.00872	10.1
89.02450	92.9
90.02785	1.4
95.01408	6.3
97.02949	7.9
99.00886	3.7
101.02453	69.1
108.02187	2.6
109.02944	2.6
111.04490	1.1
113.02461	35.2
113.03259	1.9
114.02801	1.9
116.92873	4.8
119.03513	47.2
119.04861	2.1
121.02950	2.0
123.04547	1.5
125.02460	42.1
131.03500	9.4
131.59587	1.1
133.02972	2.0
135.04527	2.4
137.02444	1.7
139.00343	1.2
139.04033	3.4
143.03535	16.4
143.10794	73.2
144.11099	2.8
149.04533	3.3
151.00305	1.8
152.01085	2.2
153.01921	2.2
160.01845	1.4
161.02451	4.8
161.04565	17.5
163.03957	1.6
165.02002	1.7
167.03535	1.9
175.04039	1.8
178.99872	2.4
179.05629	54.9
180.06052	1.8
182.99387	1.3
185.11894	1.6
203.05655	2.0
221.06647	26.9
222.07030	1.2
245.06622	1.5
257.37222	1.2
263.07678	8.9
301.03467	2.1
302.03851	4.0
305.08649	1.5
307.50079	1.3
323.09830	100.0
324.10089	6.3
341.06738	2.6
347.18527	4.7
418.77609	1.1
464.09033	4.2
465.11792	3.3
467.21072	2.2
491.15546	1.2
527.20538	3.8
527.68134	1.8
528.18628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
59.01376	100.0
59.10272	0.5
60.01717	1.3
61.98829	1.0
69.03439	0.7
70.86234	1.1
70.86545	0.4
71.01381	8.3
72.99298	0.5
73.02951	6.2
75.00887	0.7
78.95926	0.9
82.58745	0.4
83.01394	2.9
85.02946	3.3
87.00877	6.8
87.80030	0.5
89.02438	5.4
94.94727	0.5
95.01427	0.7
96.95985	0.5
96.96999	0.6
99.00906	0.8
99.04508	0.5
101.02449	8.5
113.02447	7.1
117.03539	0.9
119.03564	0.9
119.05065	1.3
121.02971	0.5
125.02467	1.9
129.01973	0.9
131.03479	1.3
141.01985	0.7
143.03526	2.2
145.02953	4.4
149.04633	0.7
155.10768	0.8
161.04570	4.2
163.03960	2.2
177.03981	0.5
177.05502	0.6
179.05634	2.5
181.07327	0.7
201.11336	0.5
203.05646	0.9
214.52655	0.5
221.06653	1.0
305.08820	0.5
323.09903	3.3
341.10870	7.5
343.12756	0.8
365.10895	5.3
366.11804	0.6
383.11926	43.1
384.12332	3.6
425.12967	24.7
426.13266	2.8
467.21710	1.5
489.16125	4.9
490.16388	0.6
491.16788	1.0
527.19379	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	527.1342
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
59.01370	1.4
61.98820	2.5
72.99294	0.9
78.95905	0.6
98.19781	1.2
99.42798	0.5
105.80706	0.6
106.25814	0.5
114.49656	0.5
118.46288	0.5
118.59792	0.6
162.39160	0.5
195.04849	0.6
215.28487	0.5
229.56277	0.6
369.07791	1.1
381.07593	0.8
383.09198	1.9
395.09088	1.6
397.07214	3.3
398.07803	1.1
407.05469	2.2
408.05853	0.8
409.06949	0.8
410.07993	0.9
411.08762	7.7
412.09106	2.1
413.10315	1.3
421.07025	5.5
422.07938	4.5
423.08572	1.5
425.05963	0.8
426.07135	1.3
427.07822	0.7
435.04803	0.8
436.05292	0.9
437.10449	1.1
439.08081	1.8
440.08719	1.2
441.09756	2.4
447.09113	0.8
450.07263	0.8
451.08224	1.2
454.10559	1.3
455.11243	10.8
456.11688	1.7
465.09766	6.5
466.10190	4.3
467.11139	1.8
467.31689	1.0
469.08856	0.7
483.10608	3.6
484.11014	0.9
485.12457	2.0
494.09857	1.4
509.12411	12.4
510.12613	2.9
526.35529	1.1
527.13416	100.0
527.34247	2.7
528.13776	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	527.1339
Annotation	Gnetuhainin H
Peak:m/z	Relative Intensity
56.52792	1.0
59.01370	1.6
61.98807	4.1
69.34388	12.0
110.68937	1.2
139.17938	1.0
154.71243	1.1
171.86169	1.3
184.98387	1.2
201.05507	1.2
221.66705	1.2
287.97388	1.4
290.75867	1.3
349.08127	1.4
377.08002	1.3
378.81158	1.2
379.06061	1.5
383.09274	1.9
393.07596	1.4
395.09006	1.6
397.07147	2.6
405.07639	1.2
410.07846	1.7
411.08618	11.6
412.08887	2.1
421.07144	22.5
422.07794	11.6
423.08594	1.8
435.05167	2.0
439.08252	3.5
440.08536	1.5
441.09854	2.8
442.10437	1.4
450.07849	1.5
454.10828	1.5
455.11227	8.1
455.35498	1.9
456.12088	1.9
465.09790	17.2
466.10413	10.2
467.10849	1.7
467.31915	1.5
483.10672	11.5
485.12366	2.2
494.09995	3.3
509.12357	49.5
510.12762	10.9
527.13416	100.0
528.13751	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	526.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77777	0.1
59.01382	0.7
61.98829	100.0
64.10905	0.1
69.47830	0.8
69.48242	0.4
71.01385	0.4
83.01804	0.1
88.58049	0.2
89.02449	0.3
93.03466	1.0
101.02483	0.3
117.70601	0.1
136.01721	0.2
137.02464	3.7
145.03061	0.2
151.04187	0.2
163.04083	0.2
179.03453	1.0
181.07227	0.2
239.05565	0.8
265.95947	0.2
371.20148	0.2
383.11984	0.2
445.58728	0.2
463.14536	9.6
464.14923	1.3
471.61847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79748	0.1
57.03476	0.2
59.01379	1.2
61.98832	100.0
62.98523	0.2
63.99246	0.3
66.52802	0.1
71.01391	0.8
71.65823	0.1
73.02957	0.2
77.92616	0.1
83.01418	0.2
85.02969	0.5
87.04530	0.1
88.98833	0.3
89.02473	0.6
91.01920	0.3
93.03491	0.2
99.00938	0.2
101.02466	0.6
103.67944	0.1
106.57888	0.1
109.02991	0.3
113.02486	0.4
114.08529	0.1
115.90799	0.1
116.92865	0.1
119.05061	0.3
121.02969	0.1
123.04544	0.3
124.01796	0.2
125.02483	0.5
127.04111	0.2
129.02075	0.2
135.00900	0.2
135.03073	0.2
137.02480	0.3
139.07648	0.2
145.03018	0.5
151.00415	0.4
151.04071	0.2
152.01201	0.2
153.01999	0.5
161.02528	0.2
161.04614	0.3
163.04077	0.2
165.02036	0.2
168.00740	0.1
169.12465	0.1
175.03935	0.3
178.99930	0.5
191.05707	0.2
271.06180	0.4
289.07022	0.2
304.11584	0.2
353.14078	0.3
365.19836	0.2
463.11652	0.6
467.25000	0.8
483.33560	0.2
484.33682	0.2
525.34418	0.2
526.18585	0.3
526.26794	0.2
526.35168	0.5
527.16711	0.8
527.26276	0.5
527.35754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.0
59.89600	0.2
61.98830	100.0
70.96381	0.5
71.01395	0.3
73.02957	0.5
75.00886	0.3
76.81409	0.2
80.72762	0.2
85.02962	0.2
89.02430	0.3
93.03477	0.5
97.06603	0.2
101.02470	0.4
103.60116	0.2
113.02409	0.2
119.05056	0.2
128.59158	0.2
137.02464	1.7
145.02957	0.4
146.03336	0.2
152.51399	0.1
156.11189	0.2
163.04045	0.3
167.45024	0.2
175.39026	0.2
179.03566	0.5
185.78873	0.2
227.23553	0.2
239.05655	0.5
264.80066	0.2
298.20151	0.2
327.10925	0.2
425.12762	0.2
463.14545	4.1
464.14984	0.6
490.16388	0.2
523.49200	0.2
526.14343	0.2
527.19580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06410	0.3
56.31455	0.3
57.03452	0.7
59.01374	4.0
60.08544	0.3
61.98828	100.0
65.00329	0.6
69.03465	0.4
71.01379	3.9
71.56631	0.3
71.57024	0.5
72.99287	0.8
73.02962	1.1
75.00860	2.7
78.95906	0.7
82.55401	0.3
82.90498	0.3
83.01402	0.9
83.05029	0.6
85.02960	1.8
87.00893	0.6
89.02452	1.9
93.03462	0.6
95.01377	0.4
99.00883	0.9
101.02477	1.6
107.01411	0.9
108.02187	0.5
109.02984	1.2
113.02456	1.4
119.05032	3.0
121.02952	0.6
125.02446	1.1
129.01959	0.8
131.03526	0.6
133.02988	0.8
135.00929	0.6
137.02417	0.6
137.09694	0.7
138.10068	0.4
139.38113	0.3
143.05031	0.4
146.08279	0.6
148.01714	0.4
149.02437	0.3
149.04520	0.5
151.00386	5.3
153.01936	0.3
155.10783	6.2
156.11134	2.3
161.02470	2.1
163.00403	0.8
163.04031	1.3
163.06038	0.4
164.01155	0.4
169.01456	0.4
175.03912	0.5
177.04085	2.0
178.04553	0.3
178.99870	3.0
179.03571	0.4
181.07213	0.6
187.03896	0.4
195.05072	1.2
199.09729	1.9
200.10110	0.5
209.11784	1.6
211.34131	0.3
218.10315	0.6
227.03513	1.2
229.04980	0.5
241.10715	0.6
243.02937	3.4
244.03368	0.3
245.04506	0.4
254.02167	0.9
255.02991	9.5
256.03345	0.9
257.04568	2.3
271.02444	20.0
272.02805	1.9
283.02444	0.5
299.47174	0.4
300.02744	39.6
301.03464	26.4
302.03894	2.1
325.10284	1.1
349.18680	0.7
354.00327	0.4
435.35428	0.4
452.20648	1.4
463.08771	55.8
464.09079	8.6
465.22949	0.8
466.23325	0.9
467.89069	0.3
509.17715	0.8
525.21844	4.7
525.32697	0.8
526.22479	8.2
526.30963	0.6
526.67175	0.4
527.22296	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41866	0.8
55.01873	1.0
57.03447	2.1
58.00588	3.9
59.01378	100.0
61.98513	1.8
61.98831	31.1
69.03454	1.1
70.99105	1.2
70.99450	1.9
71.01385	57.9
72.01733	1.0
72.99306	2.7
73.02955	8.3
75.00887	2.3
83.01392	4.6
85.02956	12.7
86.03310	0.9
87.00896	4.1
87.04496	1.4
89.02454	79.6
91.01901	26.2
92.02222	1.9
93.03468	2.9
94.06601	1.1
95.01382	1.2
97.02972	1.2
99.00884	5.2
101.02459	40.2
102.02802	0.9
108.02168	1.6
108.23708	0.8
109.02962	2.7
113.02475	11.6
117.03455	1.0
119.03551	7.4
119.05040	9.4
120.05363	0.8
121.02985	2.0
122.06142	5.9
123.04480	1.0
123.06506	1.7
125.02444	3.3
128.97905	1.0
129.01968	2.5
131.03520	58.0
132.02188	4.2
132.03787	1.9
133.02985	1.8
134.03726	3.0
135.00916	10.3
135.04530	2.3
137.02446	3.1
137.06097	12.4
139.11264	1.6
143.03554	1.0
145.02969	3.7
149.04575	71.0
150.04881	1.9
151.00383	1.7
151.03961	1.8
152.07201	9.1
153.01959	6.5
153.07555	4.2
155.10785	2.5
159.03087	0.9
160.01683	17.9
161.02440	3.6
161.04613	3.2
163.04019	11.1
173.04544	2.5
175.04022	16.5
177.04015	2.1
178.99870	29.9
179.03473	1.8
179.10826	1.1
180.00194	1.5
181.12375	0.9
184.14293	0.8
191.05623	31.0
192.05925	1.8
193.05058	5.4
197.00912	1.6
197.11754	0.9
199.09761	1.2
205.04967	1.6
211.07672	1.9
221.06641	3.8
225.11263	1.7
229.08687	1.1
235.06248	1.3
239.12045	1.2
240.12245	1.5
251.07745	3.0
255.02939	1.1
267.07590	1.2
269.08960	0.9
271.06085	2.0
281.09009	1.1
283.10971	4.1
284.11215	3.8
285.04007	1.8
289.07169	1.0
293.08881	1.5
295.10925	1.1
296.11014	2.1
307.08130	1.4
311.09845	3.4
313.11047	1.5
333.13474	1.3
333.18927	1.0
428.13141	1.0
449.19162	2.2
465.17731	1.0
465.23495	1.8
481.21042	1.0
493.18085	3.6
508.17233	1.0
525.15411	12.0
525.22876	37.9
526.16254	4.0
526.23822	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	525.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
58.00601	0.6
59.01377	8.4
61.98833	2.2
69.03471	0.4
69.56612	2.5
69.57026	1.3
71.01379	6.0
72.99284	0.4
73.02955	3.2
73.79416	0.4
83.01382	0.5
85.02950	3.0
87.00895	1.0
87.04517	3.2
89.02441	4.7
91.18524	0.4
92.37734	0.5
95.01453	0.7
97.02970	0.7
98.20615	0.8
101.02453	7.3
113.02442	2.0
116.15811	0.4
119.01230	0.5
119.03511	1.4
126.15515	0.5
129.99026	0.4
131.03514	0.8
135.08174	1.5
137.09743	8.7
139.11282	0.8
149.04573	1.0
155.10793	63.3
156.11096	4.0
161.04616	0.5
163.06131	0.9
169.12347	2.0
179.05545	0.6
179.10811	0.5
181.07207	3.7
181.08713	1.7
185.11807	0.4
191.05714	0.6
193.36400	0.4
197.83067	0.5
199.09767	24.3
200.10103	1.5
208.11018	0.5
213.11212	2.3
241.10809	8.4
242.11296	0.9
284.00232	0.5
301.12714	0.5
525.21814	100.0
526.22229	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	525.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86250	0.4
57.03438	0.8
58.00596	1.2
59.01377	10.4
61.98830	10.9
69.03456	1.2
69.36895	5.2
69.37218	0.7
71.01386	8.9
72.99306	0.8
73.02950	6.0
73.99571	0.5
75.00858	0.7
75.06350	0.4
85.02959	3.2
87.00874	1.2
87.04506	3.8
89.02451	7.0
97.02960	1.5
98.19844	1.0
99.00896	1.2
101.02447	8.4
106.13984	0.5
113.02464	3.2
115.04005	0.7
119.03533	1.2
119.05025	0.7
125.02460	0.7
131.03552	1.3
135.08171	1.3
137.09743	8.9
138.10059	0.5
139.11308	0.8
149.04564	2.0
151.00284	0.6
155.10793	69.0
155.49155	0.4
156.11128	4.1
161.04578	0.6
163.04001	1.1
163.06183	0.8
169.12393	2.3
172.83983	0.5
181.07193	6.6
181.08737	2.3
191.05644	0.5
199.09769	29.0
200.10146	2.2
213.11292	2.8
241.10785	9.5
242.11038	1.2
271.02301	0.6
300.02731	1.7
301.03592	1.8
301.13095	0.6
355.54630	0.5
463.08881	2.4
465.23395	4.4
484.61801	0.6
525.21851	100.0
526.22186	15.3
543.38257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12135	0.4
57.03440	0.8
59.01376	11.0
61.98830	9.9
69.64355	2.9
71.01385	8.6
72.99296	0.8
73.02576	0.9
73.02951	6.0
75.00877	0.8
80.71663	0.6
83.01373	0.5
85.02960	3.0
87.00865	1.0
87.04530	3.1
89.02464	4.6
95.01392	0.5
97.02964	1.0
99.00890	1.2
101.02454	7.6
113.02470	2.5
119.03517	1.4
119.05023	1.5
131.03537	1.1
135.08214	1.3
135.58829	0.5
137.02402	0.6
137.09747	10.5
138.10173	0.5
139.11304	0.7
149.04607	1.6
151.00452	1.0
155.10791	60.5
156.11105	3.6
163.03957	1.1
163.06151	1.3
169.12338	2.0
177.04111	0.9
178.55168	0.6
179.10660	0.5
181.07170	4.8
181.08757	2.2
190.82349	0.5
199.09767	24.5
200.10071	1.4
213.11342	1.7
231.23222	0.6
241.10825	8.7
242.11124	1.0
255.03000	0.6
271.02396	1.4
276.04449	0.5
300.02750	2.5
301.03665	2.3
329.82123	0.5
463.08850	4.8
465.23215	2.6
466.23779	0.9
525.21832	100.0
526.22272	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	525.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09187	0.7
57.03436	1.7
57.97873	0.5
59.01380	10.3
60.99288	0.6
61.98829	18.2
65.00317	0.7
67.84025	0.5
69.03474	0.6
71.01384	8.0
73.02938	2.6
75.00864	1.8
81.03467	1.5
83.01385	1.5
85.02964	5.9
87.00874	0.8
88.98799	1.6
89.02461	3.7
93.03471	1.2
95.01394	2.7
97.02977	0.9
101.02456	4.0
108.02187	62.7
109.02982	35.6
110.03290	1.0
111.00852	0.6
111.08147	1.8
113.02454	3.5
117.03483	1.9
119.04996	1.0
119.68257	0.5
121.02975	3.1
122.03741	0.8
123.00874	2.3
123.04515	2.3
123.76532	0.6
125.02423	2.4
132.02173	9.4
133.02943	1.0
134.03758	12.1
135.04536	1.2
137.02486	3.6
145.02975	1.8
149.02382	0.6
149.06071	1.7
151.00404	1.1
151.03989	2.2
152.01172	74.2
153.01965	22.9
153.05533	0.7
155.10800	0.7
160.01675	35.8
161.02284	1.9
161.04558	1.1
163.03996	2.1
165.01935	1.0
165.05449	0.7
165.12871	8.7
166.13261	0.7
168.00601	0.7
171.13953	3.6
175.04027	45.5
175.74046	0.5
176.04385	2.3
177.01863	0.9
177.05545	0.7
181.12332	0.9
183.13913	9.0
193.05057	16.1
194.05334	0.7
199.09749	0.6
209.11798	1.7
227.12891	1.9
235.06096	1.9
251.12889	1.1
295.08054	0.6
315.07260	9.9
316.07324	0.8
337.20526	0.6
428.12512	0.7
450.16949	0.9
478.47830	0.7
481.20615	2.5
483.33041	0.7
507.18619	3.5
525.19006	100.0
525.35168	2.5
526.19525	18.1
526.32550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25099	0.4
57.03438	1.7
58.91467	0.4
59.01375	7.4
60.99303	0.4
61.98824	6.3
71.01378	4.6
71.64453	0.8
73.02953	5.7
75.00881	1.1
82.49710	0.4
83.01386	6.6
85.02951	1.5
87.00918	0.5
87.04528	2.1
88.98840	0.8
89.02470	0.7
93.03464	88.0
94.03790	3.2
97.06573	0.7
99.00879	0.4
101.02463	3.1
103.04001	2.2
108.02190	1.0
109.03022	0.7
109.06602	0.4
113.02474	1.3
119.05043	1.5
124.01665	1.0
125.02451	1.7
125.06084	0.5
129.01996	0.8
135.00883	0.5
137.02455	100.0
138.02791	3.6
139.07674	0.5
139.11301	6.5
140.11588	0.5
145.02953	0.8
149.99586	0.8
151.00383	0.5
151.11319	0.6
152.01154	1.0
155.10732	0.6
160.01645	0.7
161.02463	1.1
163.04033	1.1
165.09235	1.2
167.10703	0.7
168.00664	2.3
169.12326	2.6
173.04541	1.3
175.03961	0.8
177.04051	1.3
178.99826	0.6
179.10780	1.9
181.12335	2.8
183.10275	11.4
193.05058	0.6
197.11821	2.4
199.09540	0.5
199.13365	0.8
205.12389	0.5
206.31003	0.4
211.07578	0.6
225.11311	11.9
226.11551	0.7
227.03606	0.6
235.06178	0.6
239.12749	0.6
243.12350	10.6
249.11302	2.2
255.02966	1.7
264.69415	0.4
267.12396	1.7
283.02417	0.7
283.07233	1.0
284.03226	1.5
285.03998	3.1
285.13467	2.1
286.04358	1.0
287.04565	0.5
288.21365	0.5
291.12357	2.3
309.13303	0.9
315.14313	0.7
326.08704	0.5
327.14490	4.3
387.16577	14.9
388.16980	1.3
450.16650	1.6
452.10492	3.2
452.60410	1.0
503.49768	0.4
507.19141	0.5
525.13281	1.1
525.19727	29.0
526.19727	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	525.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68968	0.6
55.01888	0.8
57.03454	4.0
58.00595	1.0
59.01092	1.3
59.01379	21.4
60.44210	0.6
61.39573	0.6
61.98831	41.9
62.92833	0.6
63.68274	0.7
68.99821	1.1
69.03472	3.9
71.01386	19.4
72.99312	5.7
73.02954	5.8
75.00877	28.2
81.03467	0.6
83.01362	3.3
84.02168	1.3
85.02962	16.5
86.03259	0.8
86.28336	0.6
87.00880	7.4
87.04507	3.2
88.98846	1.2
89.02452	9.2
91.01904	11.0
93.03464	2.0
95.01426	1.3
97.02950	5.1
99.00892	4.9
99.04539	1.1
101.02444	8.7
101.05358	0.6
107.35098	0.7
111.00896	1.9
113.02460	5.2
113.56101	0.6
115.03998	0.9
119.03516	1.3
120.08205	1.5
121.03036	0.6
123.04488	0.9
125.02496	1.6
129.01958	9.9
131.03523	4.7
135.00906	5.0
135.08174	2.0
137.02466	3.4
137.09740	12.5
141.01930	2.7
143.03546	1.3
145.02948	1.0
147.03011	4.1
149.04581	1.6
151.11411	0.9
153.01956	3.1
155.10796	100.0
156.11122	6.3
159.02995	2.4
161.04575	4.4
164.07292	0.7
165.01918	1.6
166.05063	1.6
167.10757	1.2
169.12343	2.5
177.02499	1.4
177.04059	27.9
178.04446	1.0
178.99872	13.8
179.05644	0.9
179.10561	0.8
180.04376	0.8
181.07173	1.9
181.08707	2.5
183.40858	0.7
184.06172	1.1
191.05560	0.9
195.05139	4.0
195.06705	1.1
197.00951	3.1
199.09770	45.1
200.10135	2.4
213.11372	2.0
229.73422	0.7
241.10822	9.0
242.11293	1.0
265.64432	0.7
267.11334	0.9
281.06665	3.2
292.47775	0.7
301.12973	0.9
329.12119	0.9
333.18958	0.9
343.14001	4.4
347.13425	3.0
347.17184	3.8
359.13400	4.8
361.14819	1.7
363.16577	2.7
377.14597	10.9
419.82822	0.8
449.16846	2.4
465.23126	2.6
477.14160	3.1
489.15030	1.4
507.16821	17.7
508.16879	1.6
525.18909	61.2
525.21466	63.1
525.33783	3.7
526.11786	12.0
526.19403	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	525.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24709	0.9
55.01875	1.3
57.03442	5.6
59.01380	14.4
61.98809	2.9
69.03452	5.1
69.46979	8.2
71.01004	1.1
71.01385	18.2
71.40733	0.9
72.99286	3.4
73.02950	4.5
75.00465	1.3
75.00876	23.3
83.01381	1.4
85.02953	12.3
87.00876	9.8
87.04501	4.0
89.02454	4.8
95.01392	0.9
97.02962	5.7
99.00895	6.2
101.02430	5.2
113.02467	2.1
115.03941	1.2
119.05028	2.7
123.04510	0.9
125.02422	1.1
129.01942	12.4
131.03560	1.1
137.02420	1.5
137.09741	11.2
141.01901	2.9
155.10797	91.2
156.11150	5.2
159.02960	2.4
168.08234	1.0
169.12325	1.2
177.04053	52.8
178.04359	2.3
181.08688	1.8
199.09749	34.8
200.10063	2.8
213.11232	1.7
241.10794	6.3
281.06570	1.2
333.18985	1.4
345.15225	1.1
347.13132	1.3
347.16800	2.0
359.13501	9.9
360.13586	1.4
363.16626	6.7
377.14532	57.5
378.14703	7.7
419.15552	1.2
477.13699	1.3
507.17017	5.8
524.44159	1.1
525.18011	100.0
525.32318	3.1
526.11359	1.2
526.18384	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	525.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33257	0.8
57.03445	4.1
59.01133	0.8
59.01380	10.1
61.66052	0.7
61.98819	1.4
68.99784	1.0
69.03461	4.2
69.55171	1.8
69.55574	4.0
71.01386	15.6
72.99298	3.0
73.02946	4.3
75.00877	22.7
76.01190	0.9
82.02976	3.0
83.01408	1.8
85.02956	14.9
86.60584	0.8
87.00880	11.4
87.04498	1.9
89.02453	4.7
90.05237	0.7
93.03452	1.7
95.01390	0.8
97.02952	6.2
98.19105	0.8
98.19953	1.5
99.00873	5.5
101.02432	3.2
111.00875	1.1
113.02460	1.9
115.04036	0.9
117.03479	0.8
129.01085	0.9
129.01956	13.3
131.03459	0.9
134.03746	1.2
135.08154	1.3
137.02422	3.5
137.09744	9.8
138.10056	0.9
139.04100	0.9
141.01939	2.4
151.03996	0.9
151.06187	0.7
155.10796	83.1
156.11139	5.3
159.03011	2.0
160.01617	1.6
165.03990	0.9
169.12257	0.9
175.03976	3.1
177.04057	55.2
178.04333	2.3
179.03491	1.1
181.08649	1.7
181.78175	0.8
193.05067	1.3
195.05051	1.1
199.09758	37.5
199.38348	0.8
200.10014	2.1
213.11234	1.8
241.10881	4.8
249.05992	1.4
262.07004	1.1
287.10291	1.3
291.10138	0.9
303.08823	4.3
313.08200	1.5
333.19019	1.5
345.10931	0.9
347.17133	1.3
359.13461	9.7
360.13614	1.4
363.16513	1.9
377.14517	72.4
378.14893	8.3
415.05814	1.0
489.16144	5.3
490.16125	1.5
507.17044	7.9
508.17172	1.7
525.17993	100.0
525.32672	2.7
526.18347	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	525.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03437	0.8
59.01377	10.9
61.98827	2.6
66.28961	0.6
69.52510	5.0
71.01378	10.4
72.99305	2.0
73.02954	3.5
75.00877	3.9
83.01398	1.4
85.02963	4.7
87.00876	1.9
87.04539	1.4
89.02462	4.9
97.06616	1.1
98.20652	1.2
99.00896	0.9
101.02458	7.1
113.02477	3.8
115.92033	0.7
116.92881	1.0
117.03476	18.2
119.03539	2.5
119.05040	22.0
120.05419	1.0
121.03040	0.7
125.02464	1.2
129.01974	2.0
131.03520	1.0
133.06615	1.7
137.09758	1.5
141.05582	1.1
143.03534	0.8
145.02972	81.2
146.03304	5.0
155.10799	16.3
161.04759	0.9
161.06107	6.2
163.04028	37.6
164.04344	1.1
177.04053	4.3
177.05574	2.9
179.05727	1.0
181.07182	4.5
187.03957	0.8
199.09756	6.4
201.11334	0.9
205.05089	8.9
205.06976	0.5
225.52478	0.6
235.06071	2.1
265.07162	4.8
266.07599	0.7
287.05539	0.7
343.12427	1.0
347.13324	0.9
363.16995	0.7
377.14474	5.2
387.91934	0.7
489.16113	100.0
490.16428	13.1
507.16699	0.8
525.18640	9.4
526.18835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
57.03432	1.1
58.00591	0.5
59.01379	6.8
61.98527	0.7
61.98830	9.1
65.00331	1.5
65.03969	0.9
67.01856	0.4
69.03438	0.8
71.01382	6.1
72.27264	0.3
73.02943	1.5
75.00885	1.0
83.01389	1.0
85.02480	0.5
85.02952	2.6
86.11794	0.3
87.00896	0.9
88.98804	0.7
89.02454	3.6
91.01902	81.4
92.02231	3.2
93.03461	2.5
95.01389	0.6
99.00881	0.7
101.02443	3.8
107.01426	1.0
107.05003	0.4
108.02216	0.8
109.02975	3.8
109.06665	0.4
113.02464	1.7
117.03457	0.6
119.03530	0.6
119.05040	1.2
121.02985	1.3
123.04557	0.8
125.02452	1.1
127.07684	0.8
131.03525	1.1
132.02094	0.5
133.02972	0.8
134.03752	0.7
135.00899	34.9
135.04556	0.7
136.01277	1.7
137.02449	3.5
137.06093	2.0
138.01958	1.6
139.11325	0.6
145.02988	1.8
149.02426	1.1
149.04552	2.6
151.00400	1.3
151.04056	0.6
151.06105	0.5
152.01186	0.5
153.01955	21.2
154.02345	0.7
155.07153	0.8
155.10741	0.9
160.01682	1.0
161.02441	1.6
161.04555	0.4
163.00310	0.6
163.04054	0.8
164.07030	0.3
165.90071	0.4
167.03496	0.5
175.04015	1.5
177.04062	0.7
178.99870	98.2
180.00201	4.3
183.10248	2.0
191.05632	0.4
193.05122	0.6
197.00916	10.3
197.08081	0.4
197.11852	0.7
211.07634	0.6
221.00945	1.8
225.11353	0.8
240.20114	0.4
243.02879	0.6
247.09952	0.5
253.18814	0.4
255.02948	1.5
271.02518	3.0
271.05286	0.6
300.02750	4.7
301.03427	2.6
302.03851	0.6
313.11035	0.4
323.04044	0.5
323.07715	0.7
341.04919	0.4
341.08728	0.5
359.13406	0.5
362.29849	0.4
462.10190	0.7
465.24454	0.4
489.10400	5.6
490.10614	0.8
507.14648	0.6
524.35370	1.6
525.16022	100.0
526.16364	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	524.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.94637	6.5
73.67410	1.1
81.74629	1.2
82.81772	1.2
91.47928	1.2
93.74879	1.2
95.44649	1.3
96.77881	1.2
110.00338	1.2
198.67230	1.4
309.23825	1.5
390.16299	1.3
461.36221	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	525.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
57.03441	0.6
59.01373	2.7
60.99307	14.0
61.98831	5.0
66.17323	0.3
69.03493	0.3
71.01391	2.4
71.66125	0.4
72.99311	0.5
73.02936	0.8
75.00877	0.8
83.01411	0.5
85.02966	0.7
87.00880	0.4
88.98815	100.0
89.02428	0.4
89.99146	1.2
91.01910	1.9
93.03474	0.7
95.01376	0.3
101.02444	1.4
108.02190	0.7
109.02953	0.8
113.02483	0.7
117.03499	0.6
119.05019	1.1
119.25195	0.3
121.03001	0.7
123.04512	0.5
125.02461	1.1
132.02162	0.3
133.03003	0.6
134.03764	0.5
135.00911	0.9
135.04529	0.9
137.02460	1.1
145.03017	2.0
147.04529	0.3
151.00391	1.3
151.03970	0.3
153.01967	0.7
155.10748	0.7
160.01680	1.3
161.02480	0.8
161.04611	0.4
163.03995	1.2
168.00711	0.4
175.04019	1.9
177.01952	0.4
177.04047	0.4
178.99876	2.2
179.03352	0.3
182.27654	0.2
189.02011	0.7
193.05104	0.7
211.07759	0.4
211.13423	0.4
217.01382	0.3
229.14494	0.9
243.02950	0.3
255.02988	1.2
271.02521	2.0
271.06125	0.7
273.61609	0.3
289.07361	0.3
300.02792	4.5
301.03452	2.2
307.08212	0.4
341.06689	1.1
345.13376	0.5
435.10779	1.6
465.23541	0.4
489.10284	4.8
490.10785	0.7
524.35022	1.0
525.16412	1.7
525.23676	2.9
525.35199	0.4
526.17462	0.4
526.25879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03206	0.1
59.01382	0.6
61.98829	100.0
62.98544	0.2
65.00323	0.1
65.25290	0.1
69.37893	0.9
69.38304	0.4
71.01393	0.4
72.99284	0.1
73.02956	0.3
78.95930	0.1
85.02975	0.3
87.00840	0.2
89.02438	0.3
93.03471	0.5
95.01408	0.2
100.82181	0.2
108.02159	0.7
109.03032	0.7
119.05034	0.3
122.03780	0.2
123.04540	0.2
124.01703	0.4
125.02462	1.5
129.02008	0.1
133.03024	0.2
137.02477	0.9
145.03009	0.3
149.99602	0.5
151.00417	0.5
151.04074	0.1
152.01170	1.1
153.01804	0.4
154.02292	0.2
161.02472	0.3
167.03529	0.2
168.00662	0.9
169.01366	0.2
173.06148	0.4
175.04066	0.2
215.07274	0.3
231.58147	0.1
259.06100	2.4
283.06177	0.4
285.64188	0.1
301.07184	0.3
316.07642	0.2
444.01236	0.2
524.18219	1.8
525.19305	1.9
543.00836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53070	0.1
59.01366	0.8
61.98832	100.0
64.68192	0.1
69.47032	0.3
69.47445	0.8
71.01398	0.3
72.99323	0.1
73.02951	0.2
75.00859	0.1
80.15498	0.1
83.01386	0.1
83.04969	0.1
83.29510	0.1
87.04541	0.3
88.98846	0.2
89.02466	0.4
93.03523	0.2
95.01390	0.2
101.02461	0.2
107.05043	0.2
108.02184	0.1
109.02953	0.2
119.05066	0.4
121.03027	0.2
123.04544	1.6
124.04102	0.1
124.04880	0.7
125.02480	0.3
135.04602	0.3
137.02501	0.3
145.03009	0.5
149.00684	3.8
153.05591	1.4
154.05890	0.6
155.10880	0.2
160.01761	0.2
169.12381	0.2
171.13997	0.2
175.04082	0.2
181.08800	0.3
192.99655	5.6
199.09862	0.2
218.70784	0.1
225.11450	0.3
226.11768	0.2
236.98631	2.4
237.00813	0.2
259.06198	0.5
278.13550	0.1
292.12878	0.2
293.08789	0.2
397.52643	0.1
462.10693	0.1
518.13770	0.2
524.21869	0.9
525.15155	0.8
525.23792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.2
61.98829	100.0
69.03461	0.3
69.83008	1.3
71.01383	1.6
72.48791	0.2
72.99331	0.2
73.02942	0.6
75.00878	2.3
76.01217	0.3
83.01395	0.3
85.02978	0.5
87.00865	0.3
89.02471	0.8
93.03440	1.0
97.02976	0.4
101.02481	0.9
107.05049	0.3
108.02180	2.3
109.03005	2.4
110.03314	0.9
113.02454	0.4
117.03519	0.3
119.05041	0.8
123.00916	0.3
123.04559	0.3
124.01695	0.9
125.02473	1.6
133.03027	0.2
135.04485	0.3
137.02455	2.9
142.04192	0.2
145.02974	1.3
149.99629	0.9
151.00410	0.7
152.01163	2.2
153.01962	2.2
153.05544	0.5
154.02322	0.8
155.10803	0.3
161.02449	0.2
162.03233	0.4
163.04036	0.6
165.02036	0.2
167.10844	0.3
168.00659	1.7
168.11205	0.2
169.01405	0.4
175.03998	0.5
177.04079	0.2
177.05582	0.7
178.05956	0.2
181.08678	0.3
181.73158	0.2
183.10315	0.4
191.05641	0.3
199.07686	1.0
211.07788	0.3
271.06308	0.5
524.18164	5.5
525.12769	0.5
525.19434	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	523.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66196	0.5
57.03440	0.9
59.01375	3.8
61.98829	6.5
70.12929	2.6
78.95905	23.7
83.05037	0.6
86.94644	0.5
88.07349	0.4
88.98836	0.6
96.96980	1.9
106.91042	0.5
113.09727	2.7
152.99597	38.3
171.00662	1.9
179.14471	1.5
181.12328	0.6
195.13898	23.8
196.14345	0.8
227.03236	3.5
245.04247	1.8
277.21707	16.5
277.24734	0.8
278.22012	1.2
295.22772	68.8
296.23129	8.0
431.22037	1.5
487.34290	12.8
488.34702	2.1
523.26685	100.0
524.26978	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	523.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15019	1.8
59.01374	8.5
61.98839	20.1
69.39391	10.9
69.39816	7.9
98.20675	4.3
99.00880	2.4
225.11427	2.2
279.63712	1.8
284.73001	1.9
337.22534	2.0
469.33371	11.1
470.33981	3.9
485.32114	2.5
487.34305	100.0
488.34833	21.2
523.31091	15.5
524.32605	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	523.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01711	1.2
61.98827	3.7
71.56120	0.3
78.95918	0.6
88.98818	0.2
96.96037	0.3
113.28989	0.2
140.11528	0.2
146.78688	0.2
152.99675	0.6
181.12459	0.3
209.11765	0.3
223.13411	0.5
225.11411	0.6
295.22498	0.3
463.34543	0.4
487.29773	0.5
487.35284	0.5
523.25781	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.6
57.03449	3.0
58.00602	2.9
59.01376	100.0
60.01719	1.2
61.98831	2.5
68.99831	0.6
69.03452	1.3
69.27579	2.5
69.28013	3.4
71.01382	51.1
72.01723	0.8
72.99312	4.2
73.02941	7.9
75.00875	9.4
83.01395	4.4
85.02954	15.5
87.00888	2.8
87.04512	0.9
88.98817	1.3
89.02447	61.0
90.02820	0.6
91.01910	0.9
93.03477	1.2
95.01411	2.9
97.02969	1.7
97.06614	0.9
99.00878	5.1
99.04517	0.9
101.02449	37.7
102.02793	0.9
108.02203	1.1
109.02926	1.0
111.00937	0.8
113.02457	19.8
114.02808	0.6
119.03512	17.5
119.04339	1.1
120.99687	1.9
121.02972	1.1
125.02473	2.2
129.01939	3.5
131.03514	34.0
132.03821	1.0
135.08167	0.7
137.02480	1.6
137.09732	1.3
139.11307	0.6
143.03500	5.8
145.02982	0.8
145.05061	0.9
149.04572	35.8
150.04904	1.3
152.01172	1.1
153.09239	5.2
155.10793	12.2
156.11166	0.6
159.03046	1.8
161.02461	0.8
161.04567	8.4
163.06154	0.6
173.04562	0.7
175.02527	0.5
177.04059	4.9
178.79613	0.5
178.99968	1.2
179.03342	0.8
179.05621	17.3
181.05063	0.6
181.07185	1.8
181.08687	0.8
183.10326	0.6
185.11923	0.8
191.05614	26.4
192.05913	0.9
193.67801	0.5
195.05154	2.4
197.08275	0.8
199.07872	0.8
199.09717	7.3
220.83719	0.5
221.06737	1.9
241.10895	0.8
243.12445	0.7
251.07661	3.6
293.08640	0.6
301.12265	0.6
311.09937	2.1
325.11340	1.0
331.17603	31.4
332.17975	3.2
343.13776	1.3
345.15640	1.6
361.15097	2.0
375.12842	1.3
405.17532	0.7
429.23218	0.6
433.16202	0.6
449.27008	0.6
451.26062	0.6
463.21811	22.3
464.22232	3.7
479.17059	0.9
505.15692	0.9
505.30563	0.7
523.20282	13.4
523.32001	2.6
524.20831	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03453	2.7
58.00617	1.0
59.01379	32.3
61.98829	10.2
67.01899	1.2
69.03468	1.5
69.45431	3.7
69.45858	1.0
69.46015	0.4
71.01385	30.1
72.01712	0.5
72.99303	1.4
73.02948	5.9
75.00869	2.0
81.03440	0.8
83.01389	3.2
83.05029	0.8
85.02961	9.2
85.91047	0.5
87.00893	3.2
87.04530	0.5
88.98811	2.3
89.02451	22.7
93.03472	9.5
94.06625	0.5
95.01389	1.5
97.02959	0.9
99.00889	2.0
99.04493	0.8
101.02458	20.1
102.02808	0.5
107.01394	0.6
109.02939	1.1
111.00892	1.2
111.04498	1.4
111.08183	2.4
113.02457	10.2
119.03525	7.9
119.05067	1.1
122.06143	2.5
123.04482	0.7
124.01655	0.6
125.02454	2.9
131.03505	1.6
131.05089	0.8
132.02194	0.9
132.05765	0.8
133.02966	1.3
133.05099	1.5
134.03731	0.8
135.04543	1.9
137.02473	3.4
143.03532	1.5
143.10840	0.6
145.02971	2.0
149.04630	1.0
149.99640	0.7
151.00423	0.9
151.04202	0.7
151.06145	16.8
152.07213	4.2
153.01878	0.6
155.03500	1.1
155.10817	1.0
159.03021	0.9
159.04456	0.9
160.01669	4.3
161.02499	3.7
161.04581	3.3
163.03972	1.1
165.04115	0.5
165.12871	11.2
167.14409	1.1
168.00632	1.7
173.04568	19.8
174.04860	1.1
175.02647	0.7
175.04019	3.9
175.06004	0.7
177.04060	1.0
179.05637	5.3
183.13914	38.1
184.14215	2.1
185.06050	0.6
191.05618	3.5
193.05086	1.4
195.13879	0.7
197.15474	12.7
198.15765	1.0
207.13930	2.2
209.11855	2.0
211.07637	4.0
221.06679	0.7
225.14929	2.5
227.03592	2.5
227.12897	12.3
228.13208	1.2
229.05081	0.8
239.05426	0.5
241.14406	1.1
251.12862	1.6
252.57784	0.6
255.02966	5.6
256.03577	1.3
267.07446	0.5
273.20712	2.1
283.02475	2.8
283.10767	3.4
284.03229	6.4
285.04001	11.5
286.04297	1.3
288.06400	2.6
288.56442	0.7
289.58240	0.5
295.10608	1.9
313.11386	27.0
314.11688	1.4
341.08258	1.1
361.29730	2.8
373.53729	0.6
375.27454	3.9
417.08325	2.9
418.08682	0.7
448.18753	1.0
450.10672	6.1
450.60773	3.5
451.10944	1.7
479.18951	0.6
492.17880	1.6
493.30099	0.6
515.08698	0.7
523.23810	100.0
523.34674	18.6
524.23877	11.5
524.35614	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	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.1
57.03453	2.7
58.00617	1.0
59.01379	32.3
61.98829	10.2
67.01899	1.2
69.03468	1.5
69.45431	3.7
69.45858	1.0
69.46015	0.4
71.01385	30.1
72.01712	0.5
72.99303	1.4
73.02948	5.9
75.00869	2.0
81.03440	0.8
83.01389	3.2
83.05029	0.8
85.02961	9.2
85.91047	0.5
87.00893	3.2
87.04530	0.5
88.98811	2.3
89.02451	22.7
93.03472	9.5
94.06625	0.5
95.01389	1.5
97.02959	0.9
99.00889	2.0
99.04493	0.8
101.02458	20.1
102.02808	0.5
107.01394	0.6
109.02939	1.1
111.00892	1.2
111.04498	1.4
111.08183	2.4
113.02457	10.2
119.03525	7.9
119.05067	1.1
122.06143	2.5
123.04482	0.7
124.01655	0.6
125.02454	2.9
131.03505	1.6
131.05089	0.8
132.02194	0.9
132.05765	0.8
133.02966	1.3
133.05099	1.5
134.03731	0.8
135.04543	1.9
137.02473	3.4
143.03532	1.5
143.10840	0.6
145.02971	2.0
149.04630	1.0
149.99640	0.7
151.00423	0.9
151.04202	0.7
151.06145	16.8
152.07213	4.2
153.01878	0.6
155.03500	1.1
155.10817	1.0
159.03021	0.9
159.04456	0.9
160.01669	4.3
161.02499	3.7
161.04581	3.3
163.03972	1.1
165.04115	0.5
165.12871	11.2
167.14409	1.1
168.00632	1.7
173.04568	19.8
174.04860	1.1
175.02647	0.7
175.04019	3.9
175.06004	0.7
177.04060	1.0
179.05637	5.3
183.13914	38.1
184.14215	2.1
185.06050	0.6
191.05618	3.5
193.05086	1.4
195.13879	0.7
197.15474	12.7
198.15765	1.0
207.13930	2.2
209.11855	2.0
211.07637	4.0
221.06679	0.7
225.14929	2.5
227.03592	2.5
227.12897	12.3
228.13208	1.2
229.05081	0.8
239.05426	0.5
241.14406	1.1
251.12862	1.6
252.57784	0.6
255.02966	5.6
256.03577	1.3
267.07446	0.5
273.20712	2.1
283.02475	2.8
283.10767	3.4
284.03229	6.4
285.04001	11.5
286.04297	1.3
288.06400	2.6
288.56442	0.7
289.58240	0.5
295.10608	1.9
313.11386	27.0
314.11688	1.4
341.08258	1.1
361.29730	2.8
373.53729	0.6
375.27454	3.9
417.08325	2.9
418.08682	0.7
448.18753	1.0
450.10672	6.1
450.60773	3.5
451.10944	1.7
479.18951	0.6
492.17880	1.6
493.30099	0.6
515.08698	0.7
523.23810	100.0
523.34674	18.6
524.23877	11.5
524.35614	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	523.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93561	0.6
53.66381	0.5
55.01879	1.6
57.03439	3.0
58.00589	1.7
59.01377	37.2
60.01714	0.9
61.98831	20.6
68.09531	0.6
68.99828	0.5
69.03463	1.7
69.40096	4.7
69.40506	1.1
71.00989	1.5
71.01385	30.4
72.99320	2.3
73.02953	7.2
75.00882	2.0
81.03468	0.8
82.18581	0.5
83.01393	3.6
83.05048	0.8
85.02956	8.8
87.00898	2.9
88.98825	2.5
89.02454	21.3
93.03448	3.4
95.01430	1.3
97.02975	1.9
98.20564	1.2
99.00908	2.2
101.01776	1.0
101.02458	20.3
107.05013	0.6
108.02171	3.1
109.02999	5.3
111.00919	0.6
111.04533	0.6
111.08171	1.5
113.02469	10.9
115.04071	0.7
116.92846	1.1
117.03504	1.1
119.03537	6.8
119.04990	3.2
121.02990	1.6
122.03681	0.7
123.04549	1.1
124.01665	0.8
125.02502	1.6
125.84081	0.6
129.01955	0.9
130.91397	0.5
131.03526	1.6
133.02975	1.8
133.05098	0.8
134.03796	1.0
135.04581	1.9
137.02486	3.2
137.09802	0.6
139.07712	0.9
143.03548	1.7
145.02959	5.9
146.03342	1.0
151.00410	1.8
151.04179	1.3
151.06142	31.4
152.01187	3.5
152.06470	0.7
153.01947	2.3
153.05530	0.7
155.10793	1.5
159.03009	0.9
160.01660	3.7
161.02518	4.0
161.04538	3.1
163.04036	3.3
165.12880	10.9
168.00719	1.1
173.04524	2.8
175.04033	5.3
177.04141	1.1
179.03577	1.9
179.05669	4.3
181.12381	0.7
183.13911	29.7
184.14294	2.2
193.05081	1.2
195.13860	0.7
197.11763	0.8
197.15486	8.9
199.09737	0.8
207.13884	1.0
209.11873	1.7
210.06793	0.8
211.07729	3.7
221.83522	0.6
222.13066	0.6
225.15042	1.9
227.12914	10.3
241.10875	0.8
241.14499	0.8
245.54825	0.6
251.05379	0.7
251.12857	1.2
255.03064	1.7
284.03308	1.4
285.03925	2.9
293.13940	0.7
295.07498	1.0
295.10617	1.1
313.11398	26.8
314.11887	1.8
331.17654	0.8
348.09152	0.9
361.29584	2.7
362.30304	0.9
375.27502	7.3
376.28101	0.8
402.47827	0.7
453.22388	0.6
463.21954	1.2
479.18317	1.2
487.12854	0.8
505.22806	1.1
523.24097	100.0
523.35748	18.1
524.24066	14.9
524.35565	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	523.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03448	2.1
58.00585	2.0
59.01374	100.0
60.01709	1.9
60.99294	3.4
61.98829	19.1
63.49250	0.8
71.01380	50.0
71.16295	2.0
72.97528	2.6
72.99309	5.5
73.02949	6.8
74.01881	0.8
74.99062	1.1
75.00873	3.3
76.33265	0.8
78.95918	1.1
81.03439	0.8
83.01394	3.1
85.02956	14.0
85.03815	0.8
86.03314	1.2
87.00878	4.9
88.98808	26.3
89.02448	56.9
91.01898	3.1
91.66856	1.0
95.01392	4.6
95.05080	0.9
96.96970	1.3
99.00900	3.2
99.92583	3.9
101.02448	34.8
102.02717	1.0
109.02972	0.9
113.02454	24.7
115.00365	2.5
116.92870	55.0
117.01972	1.4
117.03465	3.7
117.92850	4.7
118.92646	1.3
118.98034	1.0
119.03506	21.1
119.05011	1.9
123.04533	1.3
125.02454	2.0
129.01976	1.4
131.03508	4.0
135.00864	1.8
137.02452	2.4
143.03523	9.0
145.01874	1.5
145.02957	19.5
146.03319	1.3
149.04544	2.3
151.06305	1.1
151.07550	1.0
153.01918	1.9
153.05544	1.4
159.02992	1.8
161.02509	1.8
161.04582	17.2
161.05962	1.5
163.04010	4.1
164.04750	1.6
167.03542	1.1
175.02496	4.6
177.04042	2.1
178.99821	3.4
179.05620	60.9
179.07076	3.9
180.05934	1.7
181.07088	0.9
191.05591	2.1
191.86568	0.9
195.05054	1.1
205.05074	3.5
207.05223	0.9
227.09183	1.8
265.07135	1.1
325.09354	1.3
367.10336	1.3
375.12781	2.1
389.14481	39.0
390.14749	4.2
433.13419	1.1
463.12268	0.7
463.18103	18.9
464.18262	2.8
487.14560	9.4
488.14511	1.2
505.13913	1.1
523.13483	5.2
523.20032	2.8
524.13995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24994	0.5
55.01873	0.5
55.73117	0.4
57.03448	3.4
58.00608	0.8
58.01733	0.5
59.01377	14.6
61.98831	1.9
69.03461	3.7
69.24455	5.0
69.24861	1.0
71.01382	12.0
71.05035	1.6
72.00893	0.5
72.99303	2.7
73.02944	3.8
75.00877	10.2
81.03476	1.1
83.01405	1.2
83.05033	4.1
85.02956	9.1
85.03455	0.7
87.00882	6.0
87.04540	3.1
88.98815	2.4
89.02445	5.5
91.01913	1.5
93.03460	0.6
95.01397	0.9
97.02953	5.1
97.06705	0.5
98.20705	0.7
99.00883	3.2
99.04518	1.2
101.02450	5.2
109.03025	0.7
111.00928	0.6
113.02457	4.0
115.04030	1.2
119.03538	1.4
119.05064	0.7
124.55081	0.5
125.02466	1.1
127.04017	1.8
127.06166	0.6
129.01945	6.8
129.33917	0.5
131.03493	1.1
133.02930	0.5
135.06628	0.7
135.08188	1.7
137.02449	1.5
137.09737	8.8
138.10069	0.5
139.11313	3.8
141.01958	2.0
145.02994	1.7
145.05072	12.3
146.05362	0.5
146.13617	0.5
149.04602	1.0
152.01218	0.5
155.10793	80.8
156.11133	5.2
159.03000	1.6
161.02469	1.6
161.04582	2.0
163.11169	0.5
168.00629	1.0
169.12373	1.3
177.04065	23.7
178.04474	0.9
178.99844	1.9
179.03659	0.6
179.05589	0.9
181.08725	2.7
181.12363	0.9
183.10280	6.6
195.05107	3.0
197.01010	0.8
197.09863	0.7
197.11835	0.8
199.09758	28.8
200.10066	1.3
205.04907	0.5
213.11304	1.2
222.67654	0.5
225.11292	1.1
241.10753	4.7
242.11276	0.6
243.12238	0.6
253.10745	1.4
265.07266	0.6
266.07553	0.6
287.05386	0.5
297.11832	1.4
331.06735	1.1
331.17618	1.9
343.14026	0.8
345.15530	4.9
359.13446	4.5
360.13425	0.7
361.14890	1.6
377.14554	5.6
387.16599	0.9
435.96121	0.6
447.18637	1.3
463.21628	1.5
505.19241	15.2
506.19424	1.5
523.20062	100.0
524.10980	1.1
524.20355	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	523.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73270	0.6
59.01382	6.0
60.99314	4.2
61.98837	6.2
70.18839	1.9
71.01387	4.7
72.99329	1.1
73.02952	1.0
75.00875	1.6
75.18329	0.5
78.95905	0.6
85.02958	1.8
87.00876	1.7
88.98815	29.7
89.02438	2.6
89.99112	0.5
91.01913	2.8
93.03468	0.7
96.96087	0.6
96.96978	0.7
99.92594	3.4
101.02429	2.2
111.00852	0.8
113.02460	1.6
116.03575	0.6
116.92876	36.0
117.01948	1.2
117.03445	1.1
117.92880	2.5
119.05040	66.3
120.04603	0.5
120.05366	2.6
123.04500	0.6
123.08021	0.6
129.02043	0.6
135.00891	2.2
137.02446	1.3
145.02974	11.2
153.01952	1.6
161.04639	0.8
161.06013	0.9
163.04022	100.0
164.04346	6.2
166.03758	0.7
175.02455	0.6
178.99899	3.7
179.05693	1.2
179.07164	2.4
191.05649	0.8
197.02370	1.1
227.09209	1.3
275.70624	0.6
325.09274	50.0
326.09589	5.2
389.14517	0.8
414.15869	0.6
423.61038	0.6
433.13278	0.8
487.14694	2.0
523.12311	13.3
524.12891	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	523.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94518	1.3
56.52076	1.1
57.03443	2.0
58.00572	1.5
58.12588	1.6
59.01380	26.3
60.97523	3.7
60.99301	1.7
61.98534	1.6
61.98827	18.6
65.02382	1.2
69.03442	1.7
71.01385	100.0
71.05024	1.5
71.55534	2.2
72.01731	2.1
72.99311	28.5
73.02959	2.5
78.95912	16.8
81.10335	1.4
85.02957	4.4
87.00881	29.8
88.98820	3.7
89.02454	13.7
89.97777	1.7
93.03459	13.0
96.96024	11.9
96.96965	27.1
99.92596	2.1
101.02450	9.8
101.06093	2.5
113.02441	6.2
114.05841	1.5
115.00388	31.2
116.92874	15.7
117.01943	5.6
117.03487	3.6
119.03477	3.9
119.05013	1.8
129.01944	9.3
132.96005	2.1
133.01433	3.8
133.02895	2.0
137.02455	45.8
138.02795	2.6
145.02957	26.3
147.03012	91.9
147.06657	18.5
148.03360	2.8
149.02505	1.6
161.02473	11.5
161.04547	3.2
163.04022	3.6
165.05566	3.9
175.02588	2.1
176.04738	2.3
177.05495	1.6
179.03485	6.6
179.05650	3.2
181.07201	6.6
182.04576	1.7
191.05571	2.4
191.07153	1.6
194.05862	7.1
195.06628	4.2
198.35605	1.5
201.00313	1.4
209.08206	20.7
225.07651	4.6
227.03836	5.4
231.97459	1.6
299.07794	1.4
301.09274	25.8
302.09671	1.9
325.93961	1.6
331.03528	1.4
357.11636	2.1
375.05609	2.2
487.14407	13.7
488.14938	1.7
505.15799	7.7
523.10498	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	523.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.7
60.99306	14.3
61.98828	1.6
69.47132	1.9
69.47559	1.0
71.01368	0.8
73.02937	0.3
75.00848	0.3
75.51146	0.3
77.00291	0.3
88.98814	100.0
89.02438	1.9
89.99136	1.1
93.03489	0.7
98.19815	0.6
101.02469	0.4
108.02190	1.4
109.02993	0.7
117.58625	0.3
119.05045	0.6
137.02457	0.6
141.94669	0.3
151.00310	0.4
152.01152	1.0
153.01906	0.7
161.02576	0.3
167.43846	0.4
173.04550	0.4
176.01256	0.4
181.08502	0.4
181.12349	0.5
224.05414	0.3
271.06012	2.3
272.06442	0.7
298.39679	0.3
298.54120	0.4
303.75638	0.4
315.07364	0.3
481.09219	0.3
523.14014	2.9
523.22705	1.1
524.22198	0.4
536.91791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
57.19040	0.2
58.00602	0.2
59.01376	1.7
61.98829	100.0
71.01386	1.6
72.99322	0.5
73.02949	0.4
75.00874	0.9
85.02959	1.0
85.48800	0.2
87.00916	0.4
89.02456	1.1
92.88538	0.2
99.00904	0.4
101.02445	1.0
113.02482	0.6
116.92876	1.6
117.01929	0.2
117.03497	0.8
119.03527	0.5
119.05042	1.2
121.03000	0.4
123.04530	0.2
125.02519	0.2
129.01987	0.5
133.02948	1.0
135.04578	0.7
137.02411	0.2
145.02965	5.5
146.03253	0.4
151.04140	0.2
151.06137	0.3
153.09262	0.6
155.10806	0.3
159.03006	0.2
161.02457	7.1
161.06081	0.3
162.02864	0.5
163.04013	2.0
177.04106	0.5
179.03519	0.5
195.05197	0.6
197.08260	0.3
205.05125	0.5
265.07248	0.3
285.49811	0.2
313.11160	0.2
323.07840	0.2
343.12833	0.2
356.13538	0.3
360.15585	0.3
361.10953	0.2
374.11948	0.2
375.12845	0.8
432.15234	0.7
445.52484	0.2
459.15067	18.2
460.15326	2.3
522.18018	1.2
523.16388	0.8
523.21155	0.3
542.43481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.4
59.01382	2.8
59.28999	0.2
61.98832	100.0
69.03466	0.3
69.32822	1.5
69.33252	0.6
71.01387	2.9
72.10211	0.2
73.02966	0.9
74.89781	0.2
75.00887	0.7
79.74270	0.2
80.66003	0.2
83.01405	0.4
85.02958	1.3
88.98811	0.8
89.02448	0.9
93.03472	0.6
95.01415	0.5
99.00916	0.5
101.02467	1.4
102.02759	0.3
105.01919	0.3
106.06101	0.2
107.01454	0.2
107.05056	0.2
108.01453	0.3
108.02187	5.4
108.04535	0.2
109.03033	4.5
110.03315	1.2
111.00871	0.4
113.02465	1.2
117.03461	0.5
119.03485	0.3
119.05026	0.5
121.02953	0.6
123.00903	0.3
123.04523	0.8
125.02503	0.4
133.02954	0.3
134.03720	0.3
135.04527	0.8
137.02440	0.9
145.02992	1.3
149.00754	0.3
149.99582	0.3
151.00385	0.6
151.04007	0.2
152.01173	5.8
153.01956	3.5
153.05540	0.4
154.02303	0.8
160.01648	0.3
161.02434	0.5
161.04536	0.5
163.03986	0.4
167.10741	0.3
168.00627	0.4
175.03990	0.6
179.03487	0.3
179.10808	0.3
181.12354	0.5
183.13919	0.2
187.04034	0.4
191.05571	0.3
192.99796	0.2
193.05042	0.4
194.19804	0.2
199.04021	0.3
211.03882	0.2
211.07664	0.2
211.13387	0.3
227.03502	8.5
228.03822	0.7
229.04974	0.8
239.03442	0.2
255.02982	12.6
256.03656	1.8
257.04416	0.7
284.03253	10.5
284.05936	0.2
285.04004	12.6
286.04404	1.3
315.07104	0.6
316.07495	0.6
359.28018	0.6
375.27493	0.3
401.26971	0.2
459.09320	20.3
460.09619	3.4
478.17859	2.5
479.18719	0.3
504.18320	0.3
521.26190	0.3
521.33752	4.5
522.16748	7.7
522.33679	3.1
523.17303	3.8
523.33905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83845	0.6
57.03444	0.9
59.01370	4.1
61.98588	0.5
61.98828	6.7
69.30146	2.6
69.30566	3.9
78.95904	25.2
96.96964	2.3
98.20605	1.2
105.27220	0.6
111.08159	1.1
112.64735	0.6
121.92900	0.7
122.74701	0.7
150.98065	0.7
151.98560	0.5
152.99597	38.9
153.99962	0.9
171.00618	3.6
171.10208	0.7
179.14401	0.7
195.13907	11.5
196.14343	1.5
205.12350	0.7
205.15939	1.0
223.13382	8.1
224.13652	1.3
227.03259	4.6
228.13643	1.1
245.04265	1.8
256.13022	0.8
275.20172	5.9
290.19327	0.6
293.21207	52.4
294.21484	4.7
295.22894	1.0
296.23044	1.2
298.36392	0.7
408.05588	0.7
429.20724	1.6
485.32690	30.2
486.33041	4.7
521.25092	100.0
521.31683	4.7
522.25378	15.8
522.32965	1.0
535.79657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	28.5
61.98832	92.4
71.01414	4.4
71.56596	6.3
71.56936	6.2
78.95918	6.7
79.50144	4.2
97.71909	4.8
152.99507	5.5
218.69196	4.1
239.07851	4.9
252.28905	5.1
274.91208	4.0
293.21072	4.3
344.84741	4.2
485.33215	21.8
521.30115	100.0
522.31079	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	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
57.03452	3.2
58.00595	1.3
59.01379	19.3
60.01705	0.3
60.99304	0.7
61.98830	9.3
63.55956	0.2
68.99833	0.4
69.03461	1.2
71.01385	28.5
71.05045	0.3
71.65694	0.2
71.66183	0.3
72.01725	0.6
72.99309	1.8
73.02950	9.5
75.00880	1.4
78.95916	0.3
81.03465	0.4
83.01392	5.2
83.05035	0.3
84.01749	0.2
84.02197	0.2
85.02957	14.5
86.00098	0.4
86.03304	0.4
87.00883	2.5
87.04530	0.3
88.98254	0.3
88.98815	5.6
89.02455	8.1
93.03449	0.4
95.01393	2.8
96.96026	0.6
96.96963	0.4
97.02969	0.8
97.06606	0.4
99.00894	3.5
101.02456	21.8
102.02779	0.5
103.00375	0.4
103.60999	0.2
105.01965	0.3
108.02190	3.6
109.02972	6.1
110.03288	0.3
111.00896	2.5
111.08160	0.7
113.02462	9.9
115.91640	0.2
117.03468	1.1
119.03525	2.4
119.05041	0.7
121.02974	0.7
121.10256	1.1
123.04569	1.2
123.08149	0.4
125.02462	0.9
127.11288	0.9
129.01970	1.1
131.03500	0.8
133.03011	0.5
134.03761	1.0
134.59660	0.2
135.00896	0.2
135.04535	1.7
135.11765	0.2
137.02460	0.9
137.09760	1.2
139.11349	0.2
141.01965	0.4
141.09169	0.2
141.12886	0.9
143.03500	1.1
145.02974	3.7
149.04605	0.7
151.00381	0.2
151.04025	0.4
152.01180	4.0
153.01959	4.8
153.05592	1.3
153.12860	0.6
154.02293	0.3
155.10791	2.0
157.12355	0.7
159.02995	2.1
160.01498	0.2
161.02449	0.5
161.04591	3.9
161.05978	0.2
163.04041	0.8
165.12857	4.7
166.13054	0.3
167.10745	0.3
169.12358	0.5
171.13913	1.2
175.04012	0.7
177.02020	0.3
177.03984	0.2
178.99866	0.3
179.03545	0.3
179.05615	0.6
179.10782	0.5
183.13913	9.2
184.14238	0.7
185.11914	0.3
187.04115	0.3
187.07698	0.3
187.13356	0.6
188.66211	0.2
191.05679	0.2
193.05063	1.1
197.15437	0.5
201.14961	5.7
202.15359	0.2
207.13904	1.2
208.13789	0.2
209.11967	1.1
223.61230	0.2
225.14941	0.5
227.12897	6.7
228.13213	0.4
229.08734	0.4
229.14435	0.2
230.15233	0.7
251.12946	2.1
252.13089	0.2
255.21135	0.2
257.08157	0.6
269.13889	0.5
293.08936	0.5
306.23230	0.2
311.09763	1.3
315.07336	1.2
315.18039	0.3
329.16171	1.2
341.26923	0.4
357.26511	0.3
359.28018	16.0
360.28464	2.0
362.19220	0.4
363.20160	1.6
373.25995	0.2
389.18143	0.5
391.19757	0.4
392.20474	0.5
401.23535	0.3
461.24011	1.2
477.17566	2.0
478.18002	0.2
503.21863	0.5
503.31879	0.3
519.31763	0.4
521.16370	3.8
521.22583	10.8
521.33282	100.0
522.16656	0.7
522.22992	1.8
522.33667	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09260	0.9
53.55260	1.0
55.01880	1.8
57.03434	2.1
58.00579	4.7
59.01378	74.5
60.01714	1.2
61.98830	100.0
68.04724	0.9
69.03455	5.4
70.51965	1.0
71.01386	64.5
71.65850	1.0
72.01732	2.2
72.99313	3.3
73.02951	14.0
74.31490	0.9
75.00877	3.2
77.55391	0.9
81.03471	1.7
83.01377	5.6
83.05029	1.2
85.02949	10.0
87.00883	3.1
88.98817	2.1
89.02450	91.4
90.01371	1.0
90.02773	1.4
93.03471	1.9
95.01407	2.8
97.02945	7.7
99.00894	19.2
99.04552	1.8
101.02458	34.3
102.02779	1.1
107.01383	1.0
107.05034	13.2
108.02149	1.8
109.02955	2.6
111.00886	1.3
113.02460	10.3
115.04028	4.0
116.92852	1.1
119.03519	3.6
119.05037	1.3
121.02990	1.0
122.03734	0.9
123.04545	11.8
125.02462	32.3
126.02754	1.1
131.03517	17.2
133.03035	1.3
134.03784	2.1
135.04517	1.8
137.02480	2.9
140.08896	1.1
143.03493	3.1
145.02939	4.8
147.06873	0.9
149.00685	2.5
149.04572	51.7
150.04907	1.3
151.00385	2.7
151.04015	2.4
152.01173	1.4
153.02045	0.9
153.05586	14.1
160.01665	2.5
161.02580	1.9
161.04604	3.5
163.03993	2.3
167.10794	17.5
168.11156	1.2
173.04535	0.9
175.04062	4.5
177.01917	1.7
179.03348	1.2
179.10764	1.5
181.12305	3.1
186.25333	1.0
187.03941	1.4
191.05637	15.7
191.10782	2.2
192.05963	1.4
192.11111	1.0
192.99658	1.9
193.04964	1.9
205.05070	1.3
209.11836	2.1
221.06686	3.7
221.11821	2.2
223.13486	1.5
224.13860	1.1
225.11208	1.9
233.06680	14.5
235.06143	1.3
251.07654	2.5
271.06076	1.2
275.07678	2.9
293.08792	54.6
294.09103	3.7
311.09778	4.8
329.13550	0.9
329.19568	2.6
337.09180	0.9
359.28009	2.0
401.23337	2.9
461.25357	11.0
462.25708	1.8
503.31735	1.4
521.19977	4.5
521.26410	11.1
521.33655	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	521.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83845	0.6
57.03444	0.9
59.01370	4.1
61.98588	0.5
61.98828	6.7
69.30146	2.6
69.30566	3.9
78.95904	25.2
96.96964	2.3
98.20605	1.2
105.27220	0.6
111.08159	1.1
112.64735	0.6
121.92900	0.7
122.74701	0.7
150.98065	0.7
151.98560	0.5
152.99597	38.9
153.99962	0.9
171.00618	3.6
171.10208	0.7
179.14401	0.7
195.13907	11.5
196.14343	1.5
205.12350	0.7
205.15939	1.0
223.13382	8.1
224.13652	1.3
227.03259	4.6
228.13643	1.1
245.04265	1.8
256.13022	0.8
275.20172	5.9
290.19327	0.6
293.21207	52.4
294.21484	4.7
295.22894	1.0
296.23044	1.2
298.36392	0.7
408.05588	0.7
429.20724	1.6
485.32690	30.2
486.33041	4.7
521.25092	100.0
521.31683	4.7
522.25378	15.8
522.32965	1.0
535.79657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06196	0.5
55.01866	0.5
57.03436	1.3
57.44902	0.4
58.00581	0.5
59.01376	25.1
61.98529	0.6
61.98825	8.1
69.03481	0.5
71.01379	13.3
72.99311	1.1
73.02951	4.0
75.00875	2.7
83.01395	1.0
85.02942	4.4
87.00885	4.3
87.04521	1.3
88.98815	1.2
89.02442	7.1
90.21535	0.4
91.51231	0.4
93.03462	1.1
95.05025	1.5
96.78235	0.5
97.02953	1.6
99.00911	1.1
99.04527	0.6
101.02454	8.5
108.02186	0.9
109.02995	2.2
113.02440	4.5
113.65530	0.4
115.04031	0.6
117.03416	0.5
119.03488	2.4
119.05002	0.8
121.02971	0.5
123.04477	0.5
125.02450	1.2
126.21222	0.5
129.01955	0.8
131.03458	0.6
133.02956	0.8
133.05078	2.3
133.06573	0.5
135.02974	1.0
135.04555	3.4
137.02425	1.3
137.09734	1.0
139.11293	7.0
145.02953	1.2
149.04567	0.5
151.00365	1.4
151.04153	0.7
151.06122	10.5
152.01189	1.1
152.06465	0.5
153.01917	1.5
155.10780	1.7
159.02885	0.6
161.02461	3.0
161.04538	1.0
163.11284	4.3
167.01794	0.8
177.04019	2.0
177.05408	0.6
179.03510	1.1
179.05637	0.7
179.10834	0.6
181.12341	18.7
182.12669	1.5
183.10252	9.5
195.13930	7.0
197.11844	0.6
199.09752	0.7
199.13402	1.3
207.10236	1.0
223.13371	2.1
225.11307	15.6
226.11633	1.3
233.57021	0.5
239.12874	0.7
243.12338	11.7
244.12648	1.0
248.33727	0.4
267.12259	2.0
271.06061	1.9
281.76962	0.5
284.85657	0.4
285.13437	6.1
308.32721	0.5
313.11392	4.3
314.11630	0.7
315.07513	0.8
323.07651	1.9
327.14758	0.7
345.15527	1.6
345.74771	0.5
403.15948	1.2
405.17413	1.0
459.12839	3.1
461.20380	0.7
491.18973	0.9
503.20200	1.4
521.22351	100.0
522.22638	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	521.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03455	2.6
58.00590	1.1
58.51205	0.7
59.01377	31.1
60.99310	0.8
61.98831	21.7
66.56944	0.7
69.03468	1.2
69.49081	1.3
69.49485	4.8
71.01387	20.6
71.01777	1.1
71.05011	0.8
72.99335	1.9
73.02946	7.3
75.00878	7.2
77.80322	0.7
83.01419	2.8
83.05035	0.8
83.56908	0.6
85.02953	9.0
87.00876	5.9
87.04536	1.4
88.98837	2.9
89.02451	11.3
89.02954	1.1
89.35069	0.6
90.03922	0.6
93.03487	1.5
95.01373	1.2
95.05065	1.8
97.02982	1.7
97.06585	0.6
98.20657	1.2
99.00922	2.6
99.04525	0.9
101.02459	11.8
101.03098	0.7
107.05090	0.7
108.02215	1.8
109.02962	6.1
109.06635	1.0
111.00928	0.7
113.02464	6.2
119.03501	3.9
119.05087	1.1
121.02982	0.8
125.02502	2.1
129.02000	2.4
131.03653	0.8
133.02998	1.1
133.05154	1.1
134.03796	0.9
135.03027	4.0
135.04559	4.3
137.02505	2.4
139.11322	7.0
145.03024	0.7
149.00746	0.7
151.00432	1.5
151.04117	1.5
151.06133	15.3
152.01218	2.7
153.01941	5.7
155.10864	2.0
161.02449	3.9
161.04649	1.3
163.04031	1.2
163.11285	4.9
166.05095	0.7
167.01768	3.0
173.04492	0.9
175.04025	1.0
177.04053	8.2
179.00032	0.6
179.03612	1.2
179.05743	1.1
179.10840	1.5
181.12352	19.6
182.12720	1.1
183.10300	10.1
184.10588	0.7
190.02777	0.8
191.03601	0.8
195.05052	0.7
195.13916	5.2
199.13460	1.6
207.10364	1.4
207.86464	0.8
211.00763	1.2
223.13548	1.9
225.11328	21.3
226.11749	1.8
239.13132	1.0
243.12375	12.2
243.14651	1.0
255.16113	0.9
267.12393	1.6
271.06000	1.6
285.13419	6.9
286.13635	0.8
287.05728	2.0
289.07349	0.8
295.10556	1.0
313.11386	9.7
314.11957	2.5
315.07346	2.3
315.11658	1.6
323.07959	1.7
345.15735	2.0
357.01697	0.8
385.15250	2.7
403.16165	6.7
459.12994	3.7
461.20752	1.2
491.19437	2.2
503.20071	2.6
521.22632	100.0
522.22992	12.2
542.67468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92352	0.9
57.03426	1.6
59.01094	1.4
59.01373	16.8
61.98833	2.0
64.05435	0.8
65.00327	1.1
69.32916	5.1
69.33347	3.8
71.01382	11.7
72.99305	2.1
73.02942	5.1
80.55463	0.8
83.01368	3.5
85.02956	6.5
85.11886	0.8
86.03799	0.9
87.00877	25.1
87.04504	1.6
88.00418	1.0
88.01190	1.0
89.02447	5.3
93.03452	2.1
95.01421	1.4
95.24007	0.8
97.02946	1.9
98.20680	1.9
99.00871	1.2
101.02431	9.1
107.01422	2.0
108.02175	40.7
109.02982	16.4
113.02453	2.9
119.01392	1.4
119.03472	1.4
119.05022	4.7
121.02941	1.6
122.03719	1.0
123.04502	1.0
125.02399	0.9
128.52991	0.9
133.02974	1.8
133.05113	1.3
135.00900	1.7
135.04533	1.5
135.26982	0.8
137.02399	1.2
137.09819	0.9
139.00291	1.3
143.09206	0.9
148.01604	1.2
149.02441	3.1
150.03195	1.9
150.80408	0.9
151.00375	8.6
151.06111	11.9
152.01158	45.8
153.01947	14.8
155.10770	1.8
161.02399	1.7
163.04039	1.6
163.11337	1.9
163.49741	1.0
164.04785	3.1
165.01863	1.2
167.03468	1.1
175.00328	7.0
175.06212	0.9
176.01161	5.9
177.01958	1.7
181.12343	26.8
182.12616	1.1
190.02725	17.1
191.03474	12.6
193.98563	1.6
194.02199	1.1
195.13893	8.5
205.05046	11.7
206.05322	1.2
223.06087	1.6
223.13417	1.5
225.11278	9.4
243.12320	2.0
271.06073	22.0
272.06403	2.3
287.05545	1.6
295.10336	1.7
313.11240	1.6
315.07172	11.1
353.08588	2.5
504.43005	1.0
521.12897	75.5
521.22229	100.0
522.13202	13.0
522.22540	14.4
546.21753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03443	2.7
58.00586	1.2
59.01095	1.5
59.01379	28.2
61.98833	3.6
68.99805	0.8
69.03453	2.3
69.60695	2.9
69.61130	3.4
71.01385	14.0
72.01707	1.0
72.99311	2.1
73.02959	5.6
75.00862	2.5
83.01408	2.0
85.02957	16.9
87.00876	2.8
87.04525	0.8
88.98811	0.9
89.02454	5.1
91.01897	4.4
92.02721	1.0
93.03465	40.7
94.03788	1.3
95.01383	2.3
97.02931	1.6
98.20631	0.8
99.00881	2.1
101.02462	9.4
102.19467	0.6
105.54184	0.7
107.05010	1.5
108.02174	2.4
109.02966	4.1
111.00867	0.9
113.02473	6.1
117.03438	1.2
119.03545	0.9
119.05004	2.0
120.84502	0.8
121.02972	2.7
123.04519	2.2
125.02470	1.6
129.01973	1.1
133.02960	1.7
135.00925	1.2
135.04544	6.0
136.01666	10.0
136.05154	0.8
137.02460	90.7
138.02837	3.4
139.11301	7.5
145.02933	4.4
149.02451	0.9
149.06126	1.3
149.09752	0.9
151.00357	1.0
151.04013	6.6
151.07660	1.1
151.11241	1.0
152.04340	1.3
153.01959	4.3
153.09149	1.0
154.81844	0.8
155.10742	5.8
159.04497	0.9
161.02446	4.7
161.09705	1.5
162.02780	1.1
163.04056	1.8
165.09196	2.3
168.02956	1.6
177.03999	2.3
177.05536	2.1
178.99924	7.7
179.03510	35.5
179.10771	5.6
180.03812	2.8
181.03915	1.1
181.12367	4.8
183.10263	10.1
195.03210	0.7
197.00932	13.1
199.09705	1.3
199.13326	2.0
200.48488	0.7
203.10739	2.3
206.09453	1.7
209.04547	5.2
221.04526	3.2
221.11810	1.7
222.05014	1.1
225.11319	6.7
226.11562	0.8
238.77707	0.8
239.03329	1.3
239.05606	19.3
239.12730	0.7
240.06117	1.3
243.12364	21.6
244.12688	2.4
251.05582	1.5
253.06105	1.1
255.15936	1.1
268.07410	0.8
269.08200	1.6
281.06213	6.7
282.06772	1.2
283.07037	1.6
283.09662	1.5
285.13477	7.8
293.08188	1.1
299.07748	2.8
300.02505	0.8
311.09308	1.0
314.08130	1.3
314.11554	3.0
315.14725	1.7
326.11667	3.4
327.12244	2.0
329.13763	3.1
341.08740	7.8
341.13831	2.8
342.09171	1.4
345.15512	8.3
355.11832	1.4
357.13388	1.1
359.13895	2.4
367.10272	1.1
377.14673	0.8
401.18155	0.8
405.17688	7.0
406.17926	0.8
417.17654	1.3
446.24084	0.8
461.20239	1.7
465.07208	0.7
473.14606	3.3
474.15228	1.0
476.16776	3.0
477.17325	0.8
488.16867	1.5
491.19177	27.7
492.19485	5.1
503.19199	26.9
504.19525	5.6
521.20294	100.0
522.20618	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	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
57.03446	1.3
59.01099	1.0
59.01379	15.1
61.98832	4.1
65.00307	1.1
65.03955	0.8
67.01869	1.1
69.03443	1.6
69.54418	2.7
69.54842	0.9
71.01383	11.4
72.77458	0.4
72.99303	1.5
73.02947	3.4
75.00860	3.9
83.01376	1.0
83.05035	0.6
85.02960	6.2
87.00874	2.3
87.04536	0.5
88.98805	0.5
89.02444	7.4
91.01901	89.6
92.02228	2.9
93.03465	1.9
96.96037	0.6
97.02972	1.5
97.06601	0.5
99.00873	1.1
101.02456	6.0
105.01992	0.6
107.01346	0.7
108.02206	1.0
108.08210	0.9
109.02958	4.5
109.06601	0.5
111.00861	0.7
113.02471	3.9
115.04017	1.2
117.02068	0.5
117.03490	0.5
119.03505	2.2
119.05023	0.8
121.02956	1.1
123.04601	1.1
125.02461	2.0
127.07682	0.8
129.01932	1.2
131.03471	3.2
133.02951	4.2
134.03767	1.1
135.00899	37.4
135.03011	1.1
135.04539	20.9
136.01222	1.4
136.04944	0.6
137.02467	3.5
137.06081	1.1
139.00388	0.5
139.11325	5.4
143.03551	0.7
145.02953	1.0
147.02966	1.0
149.04568	2.2
149.06062	3.2
151.04004	1.0
152.01135	0.8
152.07286	0.9
152.60701	0.5
153.00702	1.0
153.01953	20.6
153.09215	0.8
155.07129	0.6
155.10805	3.6
159.03026	0.8
159.61681	0.6
160.05316	0.6
161.02454	22.3
161.04422	2.4
162.02884	0.6
163.03978	1.0
166.05096	0.5
173.04498	0.8
175.04057	0.9
175.07695	0.6
177.04051	1.5
177.05573	6.4
178.05969	0.6
178.99875	97.0
179.03468	24.4
180.00183	5.0
180.03886	0.8
181.12331	2.5
183.10268	12.4
184.10614	0.8
191.05635	1.2
193.05098	0.6
195.05080	0.9
197.00917	38.2
197.11870	2.6
198.01207	2.5
199.09792	1.5
199.13426	0.9
203.03546	0.9
207.57217	0.5
221.01103	0.6
221.04533	10.7
221.06677	3.5
222.04887	0.8
225.11307	7.1
239.01932	0.9
243.12303	5.9
251.05583	8.0
281.03592	0.9
281.06668	16.0
282.07083	1.2
285.13324	2.4
323.07669	0.9
325.10403	0.8
341.05075	1.0
341.08755	10.3
341.13272	0.9
342.09171	0.7
343.14282	0.6
345.15256	2.8
352.12180	0.6
359.06183	14.5
360.06458	2.0
373.14688	0.7
387.16525	0.9
389.21829	2.5
403.16269	0.7
405.17621	2.0
408.74597	0.5
447.18701	1.2
503.08020	1.0
503.17877	0.6
521.09338	100.0
522.09717	15.5
522.17950	1.9
522.29468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.2
59.01380	4.1
60.83397	0.3
60.99306	14.0
61.98829	5.6
69.52808	2.0
71.01391	3.3
73.02950	1.0
75.00871	0.6
75.48178	0.3
75.67496	0.3
79.95670	0.2
85.02950	1.0
87.00889	0.3
88.98812	100.0
89.02447	2.3
89.99146	0.9
91.01913	0.4
93.03452	0.8
95.05041	0.5
98.20640	0.5
101.02473	2.0
105.01868	0.3
105.10250	0.2
105.59462	0.2
108.02173	0.5
109.06625	0.3
113.02472	1.2
119.03490	0.9
119.05042	0.5
125.02399	0.4
130.00232	0.2
137.02425	1.3
139.11243	0.6
145.02974	0.5
149.02495	0.3
151.03970	0.3
151.06119	2.7
152.01103	0.4
155.10759	0.7
161.04485	0.3
163.03893	0.3
163.11278	0.6
175.04044	0.4
181.12360	1.3
183.10191	0.7
200.67587	0.3
207.10201	0.3
225.11311	2.3
226.11583	0.2
227.03448	1.6
239.05450	0.3
243.12341	0.4
255.02948	0.7
266.87482	0.3
284.03137	0.9
285.03922	1.0
285.06870	0.3
313.11465	1.8
315.07162	0.3
431.09747	1.3
459.12405	0.3
521.13550	0.8
521.21997	11.1
521.33936	0.6
522.22784	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	521.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45401	0.4
52.84029	0.5
53.00483	0.5
57.03440	1.7
59.01381	16.3
61.98832	5.5
65.00315	1.3
65.03945	0.8
68.81019	0.5
69.03453	2.3
71.01386	13.1
71.05033	0.6
71.65727	0.7
72.99310	1.5
73.02956	4.5
75.00875	4.3
83.01395	1.2
85.02956	7.0
87.00889	3.2
87.04523	0.7
88.98802	0.9
89.02454	7.4
89.31046	0.4
91.01904	89.7
92.02240	3.5
93.03461	2.4
95.01369	0.9
97.02967	2.5
99.00890	1.7
99.04532	0.8
101.02464	7.4
105.01915	0.6
107.01432	0.5
107.05062	0.5
108.02174	1.3
109.02954	4.9
111.00883	1.0
111.04514	1.4
111.08144	0.6
113.02451	5.5
115.04031	1.0
117.03469	1.1
119.03495	2.2
119.05035	1.5
121.02978	0.5
123.04549	1.0
125.02430	1.4
125.06087	0.6
127.07626	0.7
129.01950	1.3
131.03506	2.6
133.02985	4.6
134.03738	0.8
135.00902	31.9
135.03008	1.1
135.04539	20.5
136.01254	2.0
136.04868	0.7
137.02452	4.4
137.06042	0.8
137.09703	0.6
139.00311	0.5
139.04013	1.1
139.11314	4.9
141.01930	0.7
143.03473	0.9
145.02942	3.2
147.03055	1.0
149.02528	1.0
149.04590	1.7
149.06053	2.9
149.09647	0.6
151.04047	1.3
151.11252	0.7
152.01196	1.1
152.07141	1.4
153.01953	19.7
153.09244	1.2
154.02310	1.1
155.07162	0.7
155.10800	5.3
159.03000	1.3
160.01663	0.8
161.01097	1.0
161.02461	19.9
161.04460	2.7
161.05800	0.6
162.02821	1.5
163.03995	1.7
163.11308	0.9
165.01932	0.9
165.04076	0.5
173.04597	1.3
175.04007	2.2
177.04039	2.5
177.05577	7.3
178.05902	0.8
178.99879	100.0
179.03464	26.4
179.10728	0.7
180.00198	5.2
180.03833	1.1
181.12379	3.7
183.10277	13.0
184.10555	1.1
191.05621	1.9
195.05075	0.9
197.00922	36.4
197.11841	2.3
198.01312	1.7
199.09772	2.3
203.03493	0.9
205.05069	0.6
221.01025	0.7
221.04541	9.5
221.06660	3.2
222.04868	0.6
225.11308	7.3
226.11752	0.7
243.12381	5.3
251.05595	9.3
252.05833	0.9
255.12422	0.6
281.06647	13.8
282.07092	1.4
285.13428	1.3
307.08133	0.6
323.07947	1.0
325.10419	0.7
341.05103	1.1
341.08786	9.8
341.13080	1.0
343.14163	0.7
345.15829	2.8
359.06201	14.9
359.15237	1.1
360.06384	1.2
373.14725	1.0
373.18909	0.7
387.16409	0.7
389.22012	2.5
403.15848	1.4
405.17554	2.2
447.18692	1.0
461.14850	0.6
473.14606	0.5
503.08179	0.7
503.16968	1.0
521.09344	92.6
522.09723	13.6
522.17542	1.5
522.29510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
58.96001	0.2
59.01376	3.9
61.94404	0.2
61.98827	100.0
62.98533	0.3
69.32985	1.2
69.33407	0.5
70.09272	0.1
71.01384	2.7
72.99315	0.2
73.02943	1.1
74.18423	0.2
75.00880	0.6
85.02982	0.9
87.00897	0.5
87.39049	0.2
89.02442	1.8
95.05025	0.3
97.02967	0.4
98.19795	0.3
99.00883	0.4
101.02448	1.4
108.02157	0.2
109.13219	0.2
113.02485	0.9
116.07159	0.2
117.03495	0.2
119.03531	0.4
119.05032	0.4
123.04510	0.8
125.02458	0.2
129.01985	0.3
131.03531	0.2
133.02959	0.3
135.04547	0.6
136.04866	0.2
137.02448	0.2
145.02956	0.6
149.00691	1.1
149.06079	0.2
151.00394	0.2
151.06126	2.2
153.05606	0.7
155.10811	0.2
161.02446	0.9
161.04550	0.2
162.02884	0.3
163.03996	0.2
163.11317	0.7
177.04082	0.9
177.05440	0.3
179.03555	1.0
179.05563	0.2
180.03880	0.5
181.12344	3.9
190.02753	0.5
192.99640	1.0
195.05084	0.9
195.13921	1.0
205.05173	0.4
221.04489	0.2
222.04909	0.3
223.13399	0.4
225.11328	1.8
226.11604	0.2
249.11168	0.2
251.05692	0.3
252.05861	0.3
267.12360	0.4
271.05984	0.2
281.06549	0.4
282.07043	0.6
313.11511	0.7
342.08902	0.2
346.57172	0.2
355.55554	0.2
367.10312	0.6
374.76083	0.2
379.79089	0.2
385.14951	0.3
403.16144	0.6
520.11969	0.4
520.21216	0.9
521.22626	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	519.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41204	0.3
58.98257	0.3
59.01378	100.0
60.01711	1.1
61.98832	2.6
70.00288	0.8
70.00702	0.7
71.39462	0.2
78.95920	0.3
79.05558	0.5
83.05041	0.7
96.83065	0.3
96.96051	0.3
116.41819	0.3
121.06638	0.6
137.06143	0.6
387.06116	0.3
403.30145	0.4
459.38504	0.4
501.32629	0.5
503.89636	0.3
519.33173	5.1
520.33887	1.1
535.58789	0.3
537.64063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80519	0.8
58.58907	0.7
59.01381	100.0
60.01718	0.9
61.98841	7.6
63.87603	0.6
71.06401	1.5
78.95889	0.7
84.93794	0.7
91.51476	0.6
92.61629	0.6
94.34129	0.7
106.70200	0.6
141.72334	0.6
152.99716	0.6
210.82043	0.6
312.65744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31433	0.1
55.01867	0.2
57.03452	1.2
58.00568	0.2
59.01376	6.6
60.01689	0.2
60.81823	0.1
61.98828	3.0
69.03455	0.2
70.58575	0.1
70.58906	0.2
71.01385	2.6
71.05025	0.6
72.99300	0.3
73.00828	0.1
73.02951	1.0
75.00871	0.1
79.50248	0.1
83.01387	0.3
83.05039	0.2
85.02964	1.0
87.00873	0.2
87.04504	0.7
88.98799	0.2
89.02457	1.2
90.75327	0.1
93.03452	0.2
95.05028	0.2
97.02958	2.0
97.06601	0.2
99.00883	0.7
101.02447	1.9
101.61738	0.1
109.02982	0.1
111.08192	0.1
113.02467	0.9
113.06076	0.2
117.03472	0.1
119.03523	0.6
119.05017	0.2
121.02965	0.2
123.04487	0.1
125.02467	0.3
131.03528	0.3
134.03770	0.1
135.04538	0.2
135.08113	0.1
137.02475	0.4
137.04341	0.1
137.06197	0.1
139.11301	0.1
143.03485	0.2
145.02942	0.4
149.04570	0.2
149.09729	0.2
151.00368	0.2
151.03996	0.3
159.03102	0.1
161.02544	0.2
161.04581	0.5
163.04019	0.1
165.12848	2.5
166.13205	0.2
175.04007	0.3
177.01891	0.1
179.05630	0.8
179.10692	0.1
183.13910	5.4
184.14198	0.3
191.05478	0.1
197.15450	0.5
207.13879	0.6
209.11827	0.4
210.12521	0.1
219.13942	0.1
225.11333	0.2
225.14931	0.3
227.12878	5.9
228.13187	0.4
251.12909	0.7
269.13950	0.4
271.02600	0.2
271.06076	0.3
299.15109	0.2
309.08255	0.6
325.25293	0.2
327.18195	1.0
328.18564	0.2
329.15994	1.2
330.16418	0.2
341.24954	0.1
350.74063	0.1
353.24863	0.3
357.13510	0.2
357.26501	0.4
358.26840	0.1
369.24692	0.2
371.25919	0.2
375.27518	0.3
389.18115	1.2
390.18604	0.2
393.28262	0.1
399.24121	0.2
403.28793	0.2
405.28082	0.1
409.27652	0.2
411.28940	0.1
417.24780	0.3
421.27527	0.3
423.29245	0.5
425.30731	0.2
433.28024	0.1
439.28305	0.2
441.30194	0.2
451.28445	0.9
459.21722	0.8
460.22629	0.2
469.29556	0.2
499.30902	0.1
501.32089	1.8
502.32532	0.4
519.20612	4.0
519.33179	100.0
520.20776	0.7
520.33533	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39862	0.2
56.64203	0.3
57.03488	0.3
59.01379	100.0
60.01712	1.1
61.98829	6.8
71.01366	0.4
75.00887	0.3
81.17719	0.2
98.20646	0.8
186.01666	0.3
229.47116	0.3
271.02426	0.3
280.62924	0.4
301.17993	0.6
341.42456	0.3
361.20337	0.5
427.32217	0.7
439.32153	0.5
453.30096	0.6
453.95578	0.3
457.33435	0.8
459.28091	1.3
459.35071	2.3
460.36032	0.3
481.29938	0.4
483.31253	2.4
484.31439	0.5
485.33029	0.6
519.30249	3.2
520.30035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.334
Annotation	Inokosterone 20,22-acetonide
Peak:m/z	Relative Intensity
53.00025	0.1
55.63141	0.1
57.03450	0.9
57.80021	0.1
59.01376	2.8
60.01714	0.1
60.54433	0.1
60.99313	0.2
61.01796	0.1
61.98828	1.9
66.07200	0.1
69.03480	0.1
71.01377	0.5
71.05039	0.2
71.59116	0.2
71.59457	0.1
73.02955	1.0
78.95900	0.3
83.05048	0.4
85.02994	0.1
87.04537	0.2
93.03498	0.1
95.05040	0.2
96.62579	0.1
97.67283	0.1
99.04540	0.1
111.71018	0.1
113.06061	0.1
119.05060	0.1
121.02946	0.3
123.04594	0.2
123.08177	0.2
125.02554	0.1
130.34386	0.1
136.07634	0.1
137.02431	0.2
151.07675	0.4
167.59320	0.1
237.14893	0.1
271.02466	1.0
339.80765	0.1
351.27036	0.1
377.28589	0.1
387.26968	0.2
389.28638	0.3
390.29523	0.1
392.27335	0.4
395.29880	0.2
397.26950	0.4
405.28262	0.1
407.29724	0.8
409.31247	0.3
413.26593	0.2
415.28098	0.7
431.27493	0.3
435.29068	0.3
439.32315	0.6
440.32394	0.2
441.26007	0.2
441.34189	0.2
453.29977	0.2
455.31149	0.2
457.25964	0.2
457.33591	0.2
458.26398	0.3
459.26791	3.1
460.27142	0.6
469.29904	0.3
470.30121	0.1
471.30548	2.4
472.31406	0.4
473.32925	0.4
475.34360	0.3
485.32687	3.2
486.33142	0.6
487.31586	0.2
501.32178	0.8
502.33450	0.2
519.33411	100.0
520.33704	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	519.3323
Annotation	Linoleic Acid-biotin
Peak:m/z	Relative Intensity
55.66219	0.1
57.03447	0.4
58.00584	0.1
59.01377	4.5
61.98830	7.2
63.32393	0.1
67.01859	0.1
67.20150	0.1
69.27838	0.4
69.28260	0.9
69.62386	0.1
71.01388	1.8
71.05021	0.2
72.99317	0.3
73.02949	1.0
75.00877	1.2
78.09095	0.1
83.01414	0.2
85.02948	0.9
87.00864	0.4
87.04509	0.4
88.04047	0.3
88.98792	0.4
89.02435	0.8
93.03478	0.4
95.01411	0.2
96.96006	0.1
97.02968	0.2
97.06602	0.1
98.20667	0.2
99.00871	0.2
101.02448	1.0
101.80399	0.1
107.05017	0.1
107.62282	0.1
108.02196	0.2
109.02971	0.7
113.02460	0.9
119.03523	0.3
119.05017	0.4
123.04535	1.7
125.02430	0.5
131.03508	0.1
133.02948	0.2
134.03778	0.2
135.04510	0.4
135.76796	0.1
137.02432	0.8
138.01970	0.3
143.03426	0.2
145.01900	0.1
145.02940	0.7
149.02423	0.2
151.00397	0.3
151.04008	0.4
152.01175	0.2
153.01894	0.1
153.05603	2.3
153.09134	0.1
154.05904	0.3
155.10806	0.2
161.02446	0.5
161.04597	0.3
163.04005	0.2
165.01866	0.2
172.05222	0.1
175.03992	0.5
177.01880	0.2
177.04082	0.2
177.05524	0.1
179.03468	0.2
179.05649	0.2
181.07320	0.1
181.08788	0.2
181.12383	0.9
191.05620	0.3
205.05019	0.3
223.13362	0.3
225.11273	1.0
226.11633	0.1
249.06180	0.2
267.07706	0.1
267.12363	0.1
271.02859	0.2
271.06067	0.5
284.03265	0.1
285.04181	0.2
289.07172	0.3
297.95255	0.1
313.14304	0.2
323.23840	0.2
357.13385	2.1
357.26144	0.2
358.13739	0.3
371.25577	0.1
375.27484	0.7
393.27872	0.1
397.63513	0.1
405.21304	0.2
411.29291	0.2
421.27582	0.2
423.29120	0.6
425.30460	0.2
439.28711	0.2
441.30222	0.3
443.19067	0.3
451.28055	0.1
457.29514	0.1
459.25751	0.1
471.30548	0.2
481.20718	0.3
483.22003	0.2
519.20630	2.7
519.33185	100.0
520.33521	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	519.3328
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
52.89408	0.3
55.01869	0.4
57.03440	1.8
59.01382	11.3
61.98829	10.3
63.28345	0.3
69.92871	1.7
71.01388	3.3
71.05018	0.7
72.99316	0.6
73.02947	1.2
80.23824	0.3
83.01396	0.3
83.05021	0.6
85.02949	1.6
87.00858	0.4
87.04517	2.9
89.02451	1.0
95.01382	0.3
97.06609	0.4
101.02457	2.4
107.05036	0.8
109.06573	0.3
111.04543	0.3
113.02470	1.0
115.04017	0.3
119.03482	0.3
121.06576	0.9
123.04533	0.6
123.08162	0.3
125.02480	0.9
136.05309	0.6
137.02466	0.5
137.04683	0.3
145.02913	0.8
149.09723	1.1
151.00388	0.3
151.03998	0.4
161.02498	0.5
161.04553	0.7
164.01248	0.3
175.03941	0.4
191.05415	0.4
201.09250	0.3
223.14958	0.5
225.16490	0.5
249.03258	0.3
251.18188	0.7
253.19630	0.8
271.02524	0.8
272.03116	0.4
289.07272	0.8
301.21396	0.4
307.24292	2.1
328.56039	0.3
337.25354	1.5
338.21790	0.4
345.20816	1.1
347.27609	0.4
352.54187	0.3
353.03894	0.3
353.24829	0.8
357.22699	0.5
357.26547	0.6
363.26984	0.5
365.28595	1.3
373.25516	0.5
375.27106	0.5
379.26270	0.4
381.24240	0.5
389.28806	0.5
393.27838	0.7
399.25244	3.3
400.25668	0.5
403.24820	0.8
405.28333	1.4
407.29520	1.2
423.29114	1.5
451.28357	1.2
453.29837	0.7
455.31705	1.0
456.32162	0.5
459.27682	4.9
460.27618	0.7
469.29562	5.5
470.30017	0.9
471.27505	0.7
501.32199	100.0
502.32544	21.4
519.13116	0.8
519.32251	19.1
520.32312	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.332
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
51.08029	0.3
57.03436	0.5
59.01384	5.1
61.98838	3.8
71.01392	0.7
71.64983	0.3
71.65336	0.4
72.99315	5.6
73.02974	0.5
75.00880	40.7
76.01240	0.4
83.05029	0.3
85.02966	0.3
97.49155	0.3
141.27472	0.3
350.79724	0.4
410.54486	0.3
441.26724	0.5
443.31662	32.8
444.32034	6.4
449.51257	0.3
457.33249	1.8
458.33377	0.6
459.27371	2.0
460.27792	0.6
473.32819	0.6
475.34491	0.7
488.51749	0.4
519.12787	2.2
519.33386	100.0
520.33728	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.6
59.01369	2.3
61.98830	0.9
69.43441	2.2
70.34434	0.2
71.01385	1.4
71.05045	0.3
73.02950	7.3
82.26205	0.2
88.94739	0.2
93.03474	0.3
98.19805	0.4
100.02501	0.3
101.02482	0.3
101.74081	0.2
109.06590	0.6
119.35416	0.2
135.08112	0.3
137.02463	0.9
137.15236	0.2
137.84583	0.3
139.07704	0.4
149.09708	0.2
151.07640	0.3
262.22873	0.2
271.02493	0.6
307.24139	0.6
308.24527	0.2
319.19168	0.5
375.26727	0.4
377.28546	0.6
389.28629	1.4
391.25708	0.3
391.30182	1.0
392.27002	2.4
393.27786	0.5
407.29544	7.7
408.29956	1.2
409.31107	0.9
417.27682	0.4
419.29660	1.7
420.29791	0.4
421.30789	0.3
425.30646	0.5
431.28159	0.5
437.30734	0.3
439.32104	2.1
453.29886	0.7
455.28146	0.8
457.33160	0.4
459.27469	0.9
467.31656	1.8
469.29620	2.5
470.29657	0.5
473.32724	1.0
483.31183	0.4
485.32681	100.0
486.33029	22.5
491.29617	0.3
501.32193	3.6
502.32437	1.0
519.13031	0.3
519.33771	12.4
520.34088	2.3
529.31470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3326
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
54.06117	0.2
57.03456	0.4
59.01380	7.1
61.98840	2.0
69.53637	0.6
69.54061	1.4
71.01373	0.5
72.99313	6.4
75.00880	66.7
76.01216	0.9
78.33463	0.3
82.99866	0.2
98.20604	0.4
125.09752	0.4
172.59210	0.2
175.20044	0.2
178.48253	0.2
299.37244	0.2
345.55392	0.2
411.59769	0.3
441.26205	0.3
443.31677	41.4
444.32013	7.5
457.33496	0.6
459.27301	1.6
460.27771	0.2
519.33313	100.0
520.33661	22.8
520.39569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96682	0.3
57.03446	3.2
59.01378	11.3
61.98830	3.3
69.03445	0.8
70.17580	0.9
70.17978	0.6
71.01391	2.3
71.05025	0.6
73.02950	9.6
75.00890	1.0
78.95903	0.6
81.03472	0.4
83.01379	0.4
83.05030	1.0
85.02972	0.5
87.00887	0.5
87.04534	0.4
89.02411	0.6
93.03490	0.6
95.01388	3.1
97.02960	0.6
101.02467	0.5
109.02936	0.6
109.06604	0.6
111.04516	0.5
113.02470	0.4
121.02988	0.4
123.00908	5.3
123.04507	0.5
123.08207	0.4
124.01704	3.1
125.02476	6.2
133.06763	0.4
136.01669	0.5
137.02469	1.3
145.02908	0.5
149.06021	0.5
149.99615	4.6
151.00337	0.5
151.04083	0.4
161.73932	0.4
162.68263	0.4
163.00375	0.7
166.99869	8.7
167.14413	1.6
168.00658	7.6
169.01447	1.7
181.01433	1.1
271.02429	1.0
307.24124	0.6
331.07019	0.4
341.21124	2.5
341.24780	0.5
345.20648	0.5
353.24814	0.9
359.25970	1.0
371.25986	1.7
377.28595	0.9
379.26505	1.6
383.25873	1.1
385.23840	1.1
389.28378	1.5
390.28699	0.5
392.27075	2.3
395.25885	0.8
397.27502	4.5
398.27621	0.6
407.29538	8.3
408.29755	1.9
411.25394	0.4
413.26978	5.2
414.27383	0.7
415.28683	2.8
419.29614	1.4
429.26495	0.5
439.32352	2.3
441.26398	5.1
442.26743	0.8
445.29422	0.7
450.08157	1.1
451.08521	0.5
453.30301	1.2
459.27484	38.0
460.27853	6.6
469.29501	1.3
477.28525	0.6
483.30847	0.6
485.32690	100.0
486.33038	20.2
501.32312	7.4
502.32501	1.7
519.15387	19.6
519.29211	76.4
520.15338	3.4
520.29578	16.9
529.31671	1.0
541.90820	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35332	0.2
51.45762	0.2
53.94995	0.2
55.01867	0.6
57.03448	1.3
58.00588	0.5
59.01377	16.5
60.01699	0.3
61.98828	5.6
68.06758	0.2
69.53633	1.4
69.54045	0.4
71.01384	8.1
71.05017	1.0
72.99309	0.7
73.02950	2.8
75.00884	0.2
80.51964	0.2
82.75703	0.2
83.01389	1.3
83.05028	0.4
85.02953	3.1
87.00877	0.9
87.04504	0.4
89.02454	3.8
90.02772	0.4
92.60385	0.2
93.03465	0.7
95.01405	0.7
95.05009	0.4
97.02966	0.4
99.00880	0.7
101.02447	5.8
109.02979	0.4
109.06573	0.3
111.16695	0.2
111.71793	0.2
113.02454	2.4
117.03500	1.2
119.03521	1.2
119.05011	0.5
123.04570	0.3
124.01752	0.2
125.02475	0.7
127.11361	0.3
137.02478	1.4
143.03505	0.3
145.02968	4.8
147.04523	0.6
151.04002	0.5
155.10788	0.2
161.06117	0.3
163.03996	0.5
171.10269	0.3
173.04617	0.3
175.03961	0.3
177.17632	0.2
185.11925	0.3
191.05606	0.7
240.66331	0.3
271.02487	1.1
271.31537	0.3
272.03180	0.5
287.16620	0.3
289.07172	0.6
297.24426	0.7
305.17490	0.6
305.25507	0.2
309.24365	2.9
310.24692	0.3
321.24368	0.6
325.23944	0.4
327.25381	5.4
328.25882	0.6
339.25418	9.8
340.25674	1.3
355.25284	0.4
357.26456	18.8
358.26855	2.5
375.27405	0.4
385.27628	0.5
397.27707	0.4
407.29776	0.5
413.26718	0.4
417.24698	0.3
425.30679	0.4
441.26163	0.3
457.33151	0.8
459.27466	5.6
460.27875	0.9
475.31061	0.3
489.31149	1.0
501.31287	3.4
502.31546	0.3
519.31830	100.0
520.32208	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	519.2964
Annotation	CHEBI:66198
Peak:m/z	Relative Intensity
51.28336	0.3
57.03450	1.1
59.01382	14.1
59.40180	0.3
60.99292	0.5
61.98836	5.7
62.54193	0.3
69.03461	4.6
69.35589	1.8
69.36020	1.3
71.01386	4.2
71.05021	0.4
72.99351	0.3
73.02958	3.2
73.20418	0.3
81.10981	0.3
83.01394	0.4
83.05044	0.4
85.02964	1.8
87.00917	0.4
87.04497	0.6
87.15454	0.3
89.02480	1.0
93.03464	0.6
97.02936	0.3
98.20627	0.6
99.00887	0.4
99.04531	0.8
101.02453	2.2
102.29745	0.3
109.02987	0.7
109.06618	0.4
113.02438	1.4
117.03475	0.4
119.05054	0.8
121.02981	1.7
121.06606	0.4
122.03780	0.4
123.04536	0.7
125.02473	1.0
137.02498	1.0
139.11400	0.4
145.03004	1.0
151.00385	0.6
151.04010	0.4
161.04567	0.9
179.05634	0.4
187.07489	0.3
205.62424	0.3
226.82591	0.3
242.09454	0.5
271.02573	0.4
271.06107	1.1
285.03949	0.3
289.07147	0.8
311.24103	0.4
325.25421	0.8
327.19778	0.5
335.23904	0.5
338.57169	0.4
339.23355	0.5
343.22791	1.1
351.26999	2.6
352.27350	0.7
367.26425	0.9
369.27884	0.7
371.25934	1.2
379.26242	0.7
385.23813	0.8
395.25775	2.5
397.23404	0.4
397.27673	3.2
398.28244	0.7
411.25369	0.7
413.26996	12.1
414.27371	1.9
415.28479	1.3
416.29272	0.3
422.15619	0.4
441.26440	3.1
457.33682	0.6
459.27527	55.6
460.27924	9.9
473.12225	0.7
473.28952	0.5
475.35062	0.5
477.28922	0.6
485.31723	4.2
486.32373	0.4
488.18039	0.4
489.32446	0.5
501.32736	2.3
502.32724	0.8
503.33566	0.5
519.29364	100.0
520.29755	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	519.2962
Annotation	CHEBI:66198
Peak:m/z	Relative Intensity
52.88131	0.4
56.12458	0.4
57.03449	3.6
57.36181	0.4
58.00593	0.8
59.01381	11.1
60.99312	0.7
61.98835	3.0
68.99809	0.5
69.03441	0.6
71.01363	2.2
71.05020	0.4
71.64256	0.7
72.99314	0.5
73.02957	11.2
73.03352	0.4
75.00867	1.2
83.05032	0.8
85.02962	0.7
89.02467	0.6
93.03478	0.5
95.01408	2.1
97.06595	0.9
99.04546	0.5
101.02471	0.7
109.06567	0.7
111.04582	0.6
121.06635	0.4
123.00903	3.8
124.01718	2.2
125.02469	4.2
125.07337	0.4
137.02490	1.2
137.06174	0.5
139.07637	0.4
149.09789	0.5
149.99596	2.2
151.00426	0.6
161.32077	0.4
161.65219	0.5
166.99887	5.2
167.14413	0.8
168.00648	4.8
169.01346	0.7
174.68042	0.5
181.01443	0.9
191.05630	0.4
195.13875	0.5
231.13879	0.5
242.88094	0.4
279.46231	0.5
307.24146	0.9
341.21222	5.8
341.24884	1.6
353.24741	1.4
359.25934	1.3
367.22598	0.7
368.75269	0.5
371.25775	2.1
379.26471	1.2
383.25809	1.0
385.23749	1.7
389.28391	1.8
392.27243	2.3
393.27594	0.6
395.25958	1.0
397.27512	6.9
398.27771	1.1
407.29559	9.5
408.29758	1.4
409.31284	1.0
411.24963	0.6
413.26944	4.8
414.27518	0.7
415.28854	4.5
416.29080	0.6
419.29599	0.6
423.25204	0.8
439.32471	2.7
440.32599	0.6
441.26437	5.9
442.26486	1.0
453.30203	0.9
459.27502	47.4
460.27930	8.3
469.29584	1.7
477.27994	0.6
485.32712	100.0
486.33041	18.6
501.32330	13.6
502.32410	2.0
518.31976	0.7
519.16284	10.5
519.29266	92.8
520.15948	2.1
520.29645	17.9
529.30859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71916	0.4
55.01879	1.2
57.03438	1.3
58.00586	1.0
59.01377	100.0
60.01700	0.9
61.98828	12.9
65.00325	0.5
69.03450	0.9
69.35468	2.8
69.35894	1.2
71.01383	18.8
71.05032	0.7
72.01733	0.5
72.99322	1.5
73.02948	4.6
75.00882	1.6
83.01405	2.7
83.72802	0.4
85.02956	5.4
85.79897	0.4
87.00903	2.2
87.04539	0.8
88.98818	0.7
89.02449	14.5
92.81105	0.4
93.03482	1.5
95.01398	0.9
97.02969	0.9
98.20637	0.8
99.00901	1.5
101.02451	13.4
101.06124	0.7
107.01431	0.7
107.05037	2.2
109.02988	0.6
109.06667	0.5
111.00899	0.6
111.08118	0.5
113.02464	6.1
116.92891	0.8
119.03535	3.6
119.05057	1.0
121.02984	1.0
125.02452	2.0
128.74028	0.5
129.01967	0.8
131.03513	5.6
135.04565	0.5
137.02492	2.3
143.03510	1.0
145.02989	0.9
149.04550	5.4
151.00414	2.4
151.04037	1.5
155.10748	0.6
155.37228	0.4
159.03041	0.7
161.02507	0.9
161.04550	3.3
163.04059	0.5
165.12871	3.5
175.00276	0.4
175.04015	0.8
179.05583	2.1
179.10831	0.6
183.13908	7.7
191.03719	0.6
191.05653	3.3
193.01479	0.4
197.15508	1.6
207.13951	0.5
209.11945	0.8
211.16856	0.5
225.14911	0.5
227.12914	4.4
228.63068	0.4
229.56372	0.4
251.12791	0.9
261.04105	0.5
271.02582	0.8
271.05991	1.0
289.06958	0.5
293.08835	0.7
309.08237	2.8
327.18158	2.1
329.15982	0.7
357.26544	1.7
369.67459	0.4
375.27649	1.2
389.18182	0.6
399.23874	9.5
400.24188	1.1
415.24692	3.0
416.25327	0.5
417.24902	7.8
418.25299	1.1
459.21503	7.5
460.23090	0.9
475.19470	0.7
519.19641	8.9
519.26648	3.1
519.32788	20.9
520.20599	1.3
520.27087	0.5
520.33002	3.4
540.79388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71916	0.4
55.01879	1.2
57.03438	1.3
58.00586	1.0
59.01377	100.0
60.01700	0.9
61.98828	12.9
65.00325	0.5
69.03450	0.9
69.35468	2.8
69.35894	1.2
71.01383	18.8
71.05032	0.7
72.01733	0.5
72.99322	1.5
73.02948	4.6
75.00882	1.6
83.01405	2.7
83.72802	0.4
85.02956	5.4
85.79897	0.4
87.00903	2.2
87.04539	0.8
88.98818	0.7
89.02449	14.5
92.81105	0.4
93.03482	1.5
95.01398	0.9
97.02969	0.9
98.20637	0.8
99.00901	1.5
101.02451	13.4
101.06124	0.7
107.01431	0.7
107.05037	2.2
109.02988	0.6
109.06667	0.5
111.00899	0.6
111.08118	0.5
113.02464	6.1
116.92891	0.8
119.03535	3.6
119.05057	1.0
121.02984	1.0
125.02452	2.0
128.74028	0.5
129.01967	0.8
131.03513	5.6
135.04565	0.5
137.02492	2.3
143.03510	1.0
145.02989	0.9
149.04550	5.4
151.00414	2.4
151.04037	1.5
155.10748	0.6
155.37228	0.4
159.03041	0.7
161.02507	0.9
161.04550	3.3
163.04059	0.5
165.12871	3.5
175.00276	0.4
175.04015	0.8
179.05583	2.1
179.10831	0.6
183.13908	7.7
191.03719	0.6
191.05653	3.3
193.01479	0.4
197.15508	1.6
207.13951	0.5
209.11945	0.8
211.16856	0.5
225.14911	0.5
227.12914	4.4
228.63068	0.4
229.56372	0.4
251.12791	0.9
261.04105	0.5
271.02582	0.8
271.05991	1.0
289.06958	0.5
293.08835	0.7
309.08237	2.8
327.18158	2.1
329.15982	0.7
357.26544	1.7
369.67459	0.4
375.27649	1.2
389.18182	0.6
399.23874	9.5
400.24188	1.1
415.24692	3.0
416.25327	0.5
417.24902	7.8
418.25299	1.1
459.21503	7.5
460.23090	0.9
475.19470	0.7
519.19641	8.9
519.26648	3.1
519.32788	20.9
520.20599	1.3
520.27087	0.5
520.33002	3.4
540.79388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
59.01374	5.4
59.06505	0.5
61.98832	6.0
71.01372	2.2
71.61092	0.7
71.67152	0.5
72.97535	1.1
72.99319	1.1
73.02926	0.8
75.00876	1.4
78.95918	0.8
85.02953	1.6
85.35181	0.5
87.00883	1.3
88.98795	0.5
89.02438	2.5
93.03453	1.9
95.01409	0.8
96.96002	1.8
96.96970	2.0
99.00924	0.9
101.02450	1.0
109.02976	0.9
113.02463	2.2
115.00372	0.6
116.05058	0.8
116.92883	1.4
117.01893	0.6
119.03490	0.6
119.05046	1.5
121.02979	0.7
123.04539	56.4
124.04891	2.1
125.02473	0.9
129.01978	0.8
131.03465	0.5
133.02910	0.5
134.03743	0.7
135.02972	0.7
135.04547	1.3
137.02448	3.2
145.02962	0.7
147.11688	0.6
149.06035	0.6
151.04051	0.7
153.05592	100.0
154.05962	4.7
160.01764	0.5
161.04657	0.6
162.03146	0.8
163.04007	1.4
165.05577	0.8
175.04016	1.2
177.01996	1.2
177.05540	0.8
179.03462	0.6
179.05612	0.9
188.22171	0.5
191.05594	2.0
193.05156	1.0
195.05180	0.8
198.80974	0.5
199.83324	0.6
203.08290	2.1
207.10156	0.7
241.05284	0.7
241.08646	1.0
266.93347	0.6
271.09814	1.1
297.06128	2.6
314.08435	0.5
315.10831	23.2
316.11163	3.0
319.11789	0.8
460.67920	0.6
501.16006	2.3
519.15924	6.8
520.16071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43445	0.5
55.01873	0.7
57.03446	1.7
59.01379	25.5
61.98832	16.0
65.00326	0.6
69.03465	1.9
70.40605	1.8
71.01391	10.2
71.05005	1.2
72.99312	0.5
73.02949	2.9
75.00890	1.0
83.01402	1.2
85.02951	3.4
87.00867	0.9
88.98803	0.5
89.02452	6.7
91.08324	0.5
93.03458	0.6
95.01410	1.0
97.02964	1.1
98.20482	0.6
99.00907	0.8
99.76824	0.5
101.02457	9.2
107.01406	0.6
107.05042	3.2
113.02464	3.5
117.03481	17.2
118.03769	0.7
119.03535	1.9
119.05024	4.8
121.02964	0.6
125.02455	1.5
131.03500	2.5
135.04510	2.7
135.11899	0.6
137.02380	0.9
141.09239	0.5
143.03529	0.6
145.02969	70.1
146.03279	3.9
146.11224	0.5
147.04477	0.6
149.04576	1.8
151.00374	2.0
151.04057	1.5
160.01695	0.6
161.04552	2.7
161.05978	0.5
162.04657	0.6
163.04025	3.8
167.10812	2.1
167.42703	0.5
175.03981	0.9
179.05666	1.0
179.10794	1.8
179.14392	2.5
191.05623	2.4
195.13927	7.8
196.14337	0.9
205.05017	1.5
205.12343	8.5
206.12575	0.7
215.58673	0.5
223.13394	100.0
224.13759	6.9
235.08333	0.9
241.14500	0.5
253.09264	16.1
253.18071	1.1
254.09492	0.9
265.07101	0.6
271.05801	0.8
271.77548	0.5
287.05643	2.8
288.05963	0.7
317.44565	0.5
327.18399	1.0
357.26538	1.1
451.27887	0.7
455.81470	0.5
459.22275	15.6
459.28391	1.0
460.22827	2.1
471.26959	1.0
501.31000	2.6
502.31812	0.7
519.25818	38.5
519.32892	35.8
520.15332	0.5
520.18372	0.7
520.26154	7.7
520.33252	6.8
532.48309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24773	1.1
56.50898	1.1
57.03432	3.4
59.01376	30.3
61.98823	3.4
64.51409	1.1
65.10290	1.1
66.98637	1.2
67.35974	1.1
68.85184	1.1
69.46615	10.1
69.46912	1.2
71.01380	25.8
72.99323	1.8
73.02940	4.1
75.00874	5.6
80.05054	3.5
83.01392	1.9
85.02931	7.5
87.00887	8.5
89.02446	13.3
93.03452	4.8
95.01403	1.1
97.02914	1.5
98.19839	2.1
99.00854	1.9
101.02449	12.8
109.02946	3.7
113.02475	6.9
115.00393	8.5
117.03434	1.6
119.03513	3.9
119.05029	2.1
121.02945	6.3
122.03738	3.2
123.04543	1.6
124.04050	5.9
125.02457	2.7
128.77596	1.0
129.01935	3.5
131.03525	1.5
133.02965	27.3
133.05066	2.1
134.03746	6.4
135.04535	74.2
135.11787	1.3
136.01668	66.8
136.04837	2.5
137.02489	6.7
138.05643	1.4
145.02953	2.7
148.05313	2.8
149.04456	1.1
149.04982	1.3
149.06100	13.9
151.04019	94.8
151.06084	9.2
152.04362	4.2
155.10736	2.3
159.04460	2.0
160.01678	1.5
160.05261	1.7
161.02451	85.7
161.04585	4.1
161.09685	3.6
162.03195	15.0
163.04024	10.2
165.00139	3.1
168.03038	11.4
175.02515	18.1
175.03949	3.0
175.06058	1.7
177.04050	7.2
177.05536	42.6
178.05893	2.9
179.03499	100.0
179.10832	9.9
180.03874	6.0
181.05093	1.6
191.05545	2.7
195.05112	3.1
197.09738	1.3
199.09470	1.5
203.03520	2.2
208.99106	2.2
221.04550	48.2
222.04904	2.7
233.04411	2.0
251.05586	54.2
252.05893	4.9
265.07266	1.4
281.06653	89.0
282.06882	8.6
289.07196	1.4
295.10269	4.1
313.11343	18.9
314.11633	1.2
323.07660	2.9
341.08746	46.1
342.08841	4.0
342.11234	1.5
357.13412	93.8
358.13724	13.1
383.13504	1.3
401.14371	3.4
501.16580	1.6
519.14630	18.7
519.20905	5.7
520.15680	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	519.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
59.01102	1.1
59.01376	11.8
61.98825	2.5
69.51743	3.6
71.01379	10.8
73.02954	4.5
83.01376	1.1
84.72414	0.5
85.02958	3.7
87.00887	1.3
89.02447	7.5
89.03991	0.9
97.02950	0.9
101.02452	9.9
113.02465	3.7
117.03488	2.6
119.03502	2.4
119.05035	1.0
119.72552	0.6
132.02182	12.2
133.02934	2.3
134.03757	37.4
135.04459	1.8
136.01628	0.5
137.02446	1.3
147.04549	2.2
148.05321	1.6
149.00620	0.8
149.02487	1.4
149.06111	6.4
152.67105	0.7
158.03761	1.0
160.01677	60.0
161.00877	0.5
161.02011	3.5
163.04042	0.8
163.06160	1.5
164.04784	0.8
173.06087	1.3
174.03229	0.8
175.04013	62.2
176.02969	0.9
176.04703	9.8
177.01912	1.6
177.05528	1.1
178.02663	3.1
178.13541	0.6
179.03442	0.8
181.07187	8.1
190.02730	1.7
191.07144	10.3
192.04362	0.9
192.07375	0.6
193.05064	48.8
194.05385	2.3
197.37788	0.5
205.05022	1.5
207.06577	4.0
220.03755	1.7
223.06142	1.1
226.06230	0.6
235.06108	31.6
236.06485	2.7
265.07117	6.6
281.06851	0.9
295.08261	8.5
325.11591	2.9
331.81958	0.6
337.09277	3.9
343.12497	2.1
354.32294	0.6
355.10321	4.1
356.10291	0.7
519.17157	100.0
520.17554	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	519.1715
Annotation	Gonocaryoside A
Peak:m/z	Relative Intensity
59.01379	5.8
61.98838	5.1
68.99808	1.3
69.38254	5.5
69.38560	0.5
71.01378	5.1
73.02935	1.9
75.00865	2.9
75.04955	0.6
83.01383	2.6
85.02957	5.3
87.00855	3.1
89.02446	1.0
93.03446	2.3
97.03002	0.8
99.00890	5.4
101.02456	2.0
109.02924	1.0
111.00862	1.4
112.98767	0.8
113.02448	4.3
113.99599	10.7
115.00396	7.2
125.02454	1.0
127.00391	3.5
129.01959	2.1
137.02515	1.7
137.09724	1.9
139.00352	0.9
141.01996	0.8
145.02997	0.7
151.00233	0.7
155.09552	1.3
155.10799	21.0
156.00597	1.0
156.11082	1.3
157.01477	4.3
160.01772	1.0
169.01349	0.7
173.04555	1.8
174.01701	8.2
175.02423	2.1
175.03902	0.8
179.10780	1.9
191.05612	6.5
195.05124	1.3
197.09738	1.6
199.09796	4.8
241.10805	1.6
241.13127	0.8
301.10825	1.9
325.10550	0.8
355.92398	0.7
376.68811	0.7
379.35980	0.6
401.14380	0.9
459.15094	7.4
501.15933	1.8
519.17133	100.0
520.17572	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	519.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.5
61.23409	0.4
69.09308	0.4
70.44959	1.9
71.01379	8.9
72.99312	0.9
73.02944	2.4
83.01416	0.7
83.70979	0.4
85.02966	2.3
87.00880	1.0
89.02442	6.8
89.03959	0.7
97.02982	0.5
98.19968	0.8
101.02459	8.8
102.59393	0.6
111.04622	0.5
113.02459	3.6
113.03979	0.4
115.04076	0.5
116.92888	1.1
117.03477	2.9
118.40342	0.4
119.03547	2.2
131.03485	0.5
132.02173	10.1
133.02969	1.4
134.03754	39.9
135.04524	1.3
137.02454	0.9
140.15990	0.5
147.04556	1.5
148.05292	1.5
148.77197	0.5
149.06081	6.4
158.03754	1.0
160.01671	55.1
161.02126	3.9
161.04536	0.5
162.04933	0.5
163.06142	3.8
164.04797	0.6
173.06042	0.8
175.04013	76.3
176.04666	6.9
177.01866	1.0
177.05412	0.8
178.02708	3.3
179.03503	1.0
179.05568	0.9
181.07195	6.6
191.07138	11.0
193.05061	68.9
194.05417	4.8
205.05255	0.6
205.07143	1.3
207.06648	3.4
217.04793	0.8
220.03813	1.1
235.06097	24.2
236.06456	1.9
265.07187	4.1
295.08212	4.8
325.11395	4.8
337.09180	1.7
343.12631	2.3
355.10263	2.2
519.17145	100.0
520.17480	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	519.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23244	1.0
54.67049	1.0
55.01899	1.0
57.03451	1.8
59.01377	22.8
61.98828	3.2
69.03481	1.3
69.62453	8.3
71.01382	19.9
71.99143	0.9
72.99303	2.1
73.02961	4.0
75.00883	5.2
80.05065	2.4
81.43169	1.0
83.01396	1.9
85.02955	7.1
87.00888	5.1
89.02465	9.3
93.03470	1.6
95.01417	1.1
99.00894	2.0
101.02448	10.6
108.02197	1.1
109.02976	3.8
111.00883	1.1
113.02467	7.1
115.00401	6.7
119.03495	2.8
119.05000	1.7
121.02959	5.7
122.03777	3.1
124.04054	4.7
125.02484	1.5
128.66493	1.1
129.01949	2.8
132.02232	1.4
133.02966	20.6
134.03775	4.8
135.04543	64.4
135.11815	2.5
136.01678	69.9
136.04852	3.1
137.02502	6.6
145.02959	2.7
148.05348	3.4
149.06091	11.9
151.04028	100.0
151.06100	7.5
152.04364	4.4
155.10858	1.7
159.02994	1.1
160.05405	1.8
161.02461	69.7
161.04616	2.7
161.06036	1.7
161.09734	2.6
162.03226	13.6
163.03966	6.2
165.00163	3.4
168.03011	8.0
175.02527	14.7
175.03951	2.1
176.04883	1.6
177.04041	7.6
177.05588	31.7
178.02693	2.1
178.05942	3.3
179.03510	81.3
179.10754	9.1
180.03830	4.7
181.05009	1.5
183.10283	1.6
191.05637	2.5
193.05171	2.0
195.05128	3.0
199.09773	1.2
203.03477	1.9
208.99150	1.2
221.04561	39.0
222.04951	1.9
233.04582	1.0
236.03868	1.1
251.05594	45.5
252.05939	3.2
281.06668	70.2
282.06955	5.3
289.07211	1.4
295.10379	3.9
311.07581	1.7
313.11411	13.0
323.07825	2.9
326.28989	1.0
341.08765	39.2
341.12894	1.9
342.11023	4.4
357.13422	94.8
358.13757	9.5
382.70291	1.2
401.14658	3.2
447.09772	1.8
519.15857	14.3
519.21289	5.1
520.16632	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	519.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68258	1.1
55.01858	1.3
57.03418	3.6
59.01372	42.7
61.98822	21.3
67.01862	2.8
68.99768	1.5
69.03437	1.3
69.24004	1.2
71.01383	20.3
72.99267	3.4
73.02918	4.6
75.00864	11.6
80.71747	1.0
81.03422	1.9
83.01354	2.3
83.04990	1.5
85.02467	1.3
85.02946	17.0
87.00875	5.6
88.98785	1.9
89.02434	12.0
92.08782	1.1
93.03456	19.9
96.95967	1.4
96.96926	1.2
97.02911	3.3
99.00874	6.3
101.02437	9.1
109.02905	2.8
111.00860	1.6
111.04446	4.6
113.02457	10.2
113.99601	8.6
115.00343	5.6
116.92814	3.1
117.03431	3.2
119.03510	1.8
119.05032	14.8
121.02956	10.4
123.04453	2.5
125.02372	4.7
126.02753	1.3
127.00329	3.4
127.03941	1.3
129.01872	4.9
131.03456	1.4
132.02072	1.8
133.02901	4.4
134.03662	4.9
135.02907	3.5
135.04539	5.6
135.11778	2.7
136.01559	4.2
137.02441	6.5
137.09674	2.9
143.03453	1.4
145.02946	9.3
148.26491	1.1
149.05981	3.3
150.03215	5.7
151.04008	5.7
151.06027	4.8
154.39984	1.0
155.03375	3.4
155.10780	14.9
156.11116	1.1
157.01317	3.7
159.03041	1.7
160.01703	5.7
161.02467	16.3
161.04506	1.7
161.09677	2.8
163.03923	3.6
165.01796	1.2
165.04082	1.6
165.05492	4.5
168.00633	1.8
168.05991	1.0
169.01364	1.3
169.06520	1.4
173.04558	48.9
174.01671	8.0
174.04791	2.1
174.34415	1.2
175.02371	2.3
175.03867	5.9
177.01939	10.6
177.04117	6.6
177.05482	2.7
179.03433	3.1
179.05553	1.7
179.10760	12.2
182.07295	2.4
186.88913	1.1
191.05609	100.0
192.05855	3.4
192.76616	1.1
193.04968	3.1
195.04959	6.0
195.06535	2.7
195.08026	1.6
197.08116	1.5
197.09695	17.9
199.09619	4.5
211.11067	2.1
213.12698	4.9
223.09607	4.2
227.10594	2.5
241.08488	4.1
255.02690	1.3
257.11908	5.8
284.03195	2.7
285.03860	2.5
295.10162	1.5
301.10782	32.0
302.10947	2.7
307.08041	2.0
313.11102	5.1
323.07632	14.2
325.10065	2.6
337.08795	3.2
341.12137	1.3
343.13776	1.4
345.09885	9.4
371.13181	2.7
401.14273	2.3
447.08871	2.6
459.13654	4.1
501.14471	6.0
519.16522	77.9
520.17041	15.3
520.24957	1.6
520.27368	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10426	0.2
57.03447	0.3
59.01381	1.8
61.98826	2.6
63.02398	2.0
65.00320	6.6
66.99935	0.2
67.36906	0.2
68.17793	0.2
68.76897	0.2
69.03444	0.2
69.53164	1.2
69.53574	0.4
71.01385	0.8
72.99312	0.2
73.02944	0.6
75.00875	0.6
80.02706	0.2
80.96533	0.2
82.95412	0.4
83.01389	4.0
85.02959	0.8
87.04485	0.2
89.02469	0.6
93.03462	6.0
94.03815	0.2
95.01400	0.3
97.03004	0.2
98.19869	0.3
101.02464	1.0
103.04025	0.4
107.01397	10.9
108.02185	0.8
108.99293	0.2
109.02951	0.5
113.02467	0.7
117.03465	0.3
119.05038	27.4
120.05386	1.2
121.03010	0.4
123.04518	0.6
125.02457	1.3
131.01404	0.5
133.02975	0.2
135.00941	0.2
135.04517	0.2
137.02487	0.5
143.05040	0.3
145.02975	1.7
149.02420	0.3
151.00381	37.5
152.00706	1.8
153.01926	0.2
153.05559	0.6
155.10793	0.7
160.01622	0.4
161.02451	0.3
161.04771	0.2
161.06107	0.6
163.04031	0.3
164.01157	0.4
165.01961	1.8
169.01459	1.5
175.00404	2.1
175.04076	0.2
177.01945	4.8
178.02339	0.2
179.03587	0.4
185.06071	0.6
186.06302	0.2
187.04027	1.0
191.05684	0.2
193.01427	1.0
195.58063	0.2
197.69026	0.2
199.09802	0.2
205.01414	0.2
225.05421	0.3
227.07101	1.0
269.17532	0.3
271.06082	100.0
272.06418	9.1
285.07755	0.3
295.06094	2.5
296.06519	0.2
313.07120	1.9
399.09372	0.4
489.14313	0.3
501.13855	0.5
519.15051	2.3
519.24487	2.3
519.31860	1.8
520.15411	0.4
520.22394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93453	0.3
59.01379	9.1
61.98829	3.1
71.58895	0.5
78.95906	42.7
80.45811	0.3
96.96969	5.1
120.17960	0.3
130.85191	0.3
138.81900	0.3
150.98035	1.1
152.99599	100.0
153.99921	1.7
171.00655	3.3
240.02884	0.3
264.54050	0.3
277.21753	0.6
361.20041	0.6
381.27151	0.3
381.31726	0.5
399.29129	1.7
425.30688	2.0
431.22021	23.8
432.22458	3.2
443.31708	1.1
459.31116	3.3
485.32785	0.6
487.30676	6.3
518.25427	5.5
518.32562	1.7
519.25995	0.8
519.33160	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	519.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.1
57.03451	2.6
58.00596	0.5
59.01379	15.3
61.98827	10.8
68.99820	0.9
69.03455	0.8
69.92033	2.1
71.01382	15.0
72.99314	2.5
73.02952	4.5
75.00880	6.2
78.95911	0.4
81.03468	0.7
83.01389	2.8
83.05021	0.7
83.76123	0.4
85.02958	8.5
86.03294	0.6
87.00874	4.0
87.04530	0.5
88.98827	1.8
89.02451	4.7
93.03465	28.3
94.03779	1.1
95.01376	2.1
96.99332	1.4
97.02978	1.2
97.06590	0.8
99.00877	2.8
99.04533	0.9
101.02456	9.8
105.01963	0.8
106.06640	1.9
107.05017	0.6
107.07008	0.4
108.02177	1.4
109.02961	1.3
111.00884	1.0
111.04553	0.9
111.08216	0.5
113.02460	7.5
115.04052	0.6
116.92870	1.8
117.03502	1.0
119.03510	1.3
119.05042	2.8
121.02969	2.0
123.04585	1.0
125.02462	2.4
127.04051	0.4
129.01955	2.7
131.03539	0.7
133.02945	0.8
134.03755	1.0
135.03006	1.0
135.04553	1.3
135.11893	1.0
136.01721	2.3
137.02463	42.1
137.09749	0.5
138.02788	2.0
143.03537	0.8
145.02994	1.8
147.03014	1.1
147.04512	0.8
149.00685	100.0
150.01030	5.6
150.05646	1.0
151.03981	2.0
151.05983	0.7
152.01221	0.5
153.09175	0.6
155.10777	1.1
159.02988	0.7
160.04016	0.6
161.02487	2.5
161.04590	2.2
161.06030	0.8
161.09695	0.5
163.04033	1.7
163.06165	0.9
165.04082	2.2
173.04558	4.5
173.16624	0.4
175.04021	1.7
177.01930	0.8
177.04111	4.1
179.03571	0.7
179.05624	1.0
179.10789	5.6
187.09808	0.8
191.03723	0.7
191.05618	10.3
191.07333	0.6
192.99658	58.8
193.99977	2.6
195.05061	3.1
197.09737	2.1
199.09792	0.7
211.07578	0.8
213.12807	0.6
221.04568	1.0
223.09869	2.3
241.10832	0.5
249.06123	0.7
255.08911	0.8
281.06653	60.9
282.06970	4.2
289.07202	0.6
295.10657	0.7
301.10614	2.5
313.11139	0.6
315.08069	0.5
323.05685	0.5
325.10077	0.7
325.60709	0.6
327.14670	0.9
337.03693	0.6
345.10040	1.2
355.04926	1.9
356.10159	0.6
357.10092	1.5
358.11542	0.5
371.13406	2.7
401.14404	2.6
431.07925	4.0
432.08423	0.7
457.16443	0.6
459.13159	0.6
475.06992	25.7
476.07315	4.1
519.16571	10.3
520.16748	1.4
520.27747	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3171
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
55.01879	0.2
57.03449	0.5
59.01379	9.3
60.01715	0.3
61.98831	8.7
61.99156	0.4
68.26681	0.2
69.45637	0.9
69.46064	1.0
71.01387	4.5
72.99321	0.9
73.02950	1.6
73.90376	0.2
75.00887	0.3
83.04994	0.3
85.02956	2.2
87.00874	0.8
87.04517	0.8
89.02449	1.5
93.03473	0.5
97.06669	0.2
99.00887	0.3
99.04532	0.3
101.02460	3.1
101.06094	0.6
109.02983	0.2
111.04518	0.8
113.02470	1.4
115.92114	0.2
119.03505	0.5
119.05028	1.4
123.04488	0.2
125.02464	0.7
129.05594	3.1
137.02475	0.3
145.02954	0.4
147.06693	1.4
151.00301	0.4
155.10828	0.5
158.60872	0.2
160.01642	0.3
161.02521	0.4
161.04601	0.4
163.04102	1.1
163.11269	0.8
165.05595	0.3
175.04073	0.3
177.12820	0.3
181.12364	4.7
182.12724	0.4
183.10213	0.2
195.13939	1.4
205.12207	0.3
205.15305	0.2
207.10297	0.5
209.04640	0.3
215.07243	0.2
223.13412	0.8
225.11336	4.6
226.11655	0.3
239.13091	0.2
252.61174	0.2
267.12363	0.9
275.66226	0.3
291.10999	0.3
309.12036	1.7
325.11224	0.2
325.16519	0.4
327.14606	0.3
331.17508	0.2
355.11636	0.5
355.24991	0.5
405.28064	0.4
407.12259	0.2
415.63525	0.3
423.28903	0.8
457.20129	0.3
469.29620	1.0
473.23523	0.5
487.30685	7.2
488.30978	1.2
499.21600	0.9
517.22980	22.1
517.31610	100.0
518.23376	4.0
518.31940	19.7
518.40216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3174
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
57.03445	2.2
57.07790	0.3
59.01379	9.0
61.44827	0.3
61.98829	15.0
65.00326	0.3
69.03455	0.4
69.51819	0.6
69.52214	1.9
70.14237	0.3
71.01382	4.9
71.05032	0.9
72.99318	0.7
73.02941	2.2
73.31610	0.3
75.00886	0.5
78.16016	0.3
83.01385	0.7
83.05046	0.6
85.02953	2.0
87.00912	0.8
87.04540	1.0
88.98849	0.4
89.02460	2.9
93.03445	0.7
95.01396	0.4
95.65490	0.3
96.96084	0.4
97.02956	2.7
97.06647	0.4
99.00915	0.7
99.04520	0.4
99.31210	0.3
101.02462	2.9
108.02231	0.5
109.02991	0.7
109.06633	0.4
111.00950	0.5
113.02450	2.4
117.03484	0.4
119.03539	0.7
119.05044	1.1
121.02969	16.7
122.03288	0.6
123.04584	0.4
123.08219	0.3
125.02477	1.6
129.01961	0.4
131.05040	0.6
135.04593	0.6
137.02504	1.3
137.09755	0.4
140.81944	0.3
145.02971	1.5
149.02411	0.3
149.04788	0.3
149.06129	0.9
149.99641	0.8
151.00407	0.6
151.04057	0.5
160.01675	0.4
161.02502	0.7
161.04666	0.9
161.06081	0.3
161.09782	0.3
163.04073	1.0
164.04869	0.4
165.01984	0.8
165.12929	0.9
168.91992	0.3
175.04012	0.8
179.05672	0.6
181.06627	1.3
183.13957	1.3
188.04735	0.3
191.03722	0.4
191.05595	0.4
193.05107	0.5
199.92857	0.3
203.07172	0.5
203.10948	0.5
219.06610	0.3
221.96873	0.4
225.05698	1.4
227.12927	0.7
241.19684	0.4
243.03041	0.7
247.06229	0.6
251.16603	0.9
255.03065	0.7
256.03333	0.4
257.04282	0.5
259.33994	0.3
265.07321	0.4
271.02524	2.1
271.06155	1.3
280.00403	0.3
289.07333	0.9
300.02780	3.5
300.05994	0.4
306.08005	0.3
313.07190	3.5
314.07742	0.5
353.24994	0.4
355.11899	3.0
355.24808	2.2
356.12555	0.5
357.06448	0.7
357.24588	0.5
373.26105	0.9
401.08810	10.4
401.13943	0.6
402.09256	2.0
423.28915	0.5
427.28546	12.8
428.28912	2.6
443.19263	0.4
443.28455	0.9
451.28513	0.5
455.32269	0.7
457.26883	1.0
460.82126	0.4
469.30002	0.4
487.31500	4.2
488.31345	1.0
499.30603	1.7
517.31830	100.0
518.32294	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	517.317
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
55.68567	0.4
57.03440	2.0
58.00577	0.8
59.01375	7.8
60.99303	0.4
61.98518	0.6
61.98827	7.5
68.99853	0.4
70.30883	0.4
70.75969	0.3
71.01385	3.4
71.05026	0.8
72.99306	2.9
73.02946	1.4
82.28761	0.4
83.01396	0.4
83.05038	1.1
85.02948	1.9
87.00902	0.5
87.04504	3.3
89.02446	1.2
89.04809	0.4
89.36899	0.3
93.03449	0.5
97.02982	0.9
99.00890	0.5
99.04530	0.7
101.02451	1.6
107.29132	0.4
109.02956	0.4
113.02489	0.9
116.92847	1.7
117.03470	0.4
119.05079	0.5
121.02941	1.1
121.06596	1.2
135.04597	0.5
135.08151	0.5
136.05298	0.4
137.02448	0.9
145.02975	1.8
149.09726	1.1
149.99553	0.9
161.04584	0.7
163.04019	0.4
164.04797	0.3
165.01962	0.7
167.66577	0.4
177.05571	0.6
219.11852	0.4
247.05981	0.5
247.15134	0.4
249.16498	1.3
255.10141	0.4
257.04605	0.9
258.05209	0.4
261.07642	0.9
265.06924	0.5
282.97415	0.4
305.22998	1.9
307.24258	2.0
335.23849	1.3
351.23416	0.6
355.11862	4.5
355.24911	1.3
356.12161	0.4
363.27005	2.0
364.27243	0.5
371.23584	0.6
373.25558	1.4
375.26984	0.6
377.28638	0.5
383.37030	0.4
387.26859	1.0
389.28442	1.1
391.26321	0.9
393.28003	0.6
403.26416	1.5
405.27924	2.5
406.28159	0.7
407.29636	2.7
408.30026	0.5
421.27524	1.3
423.29315	1.0
449.26880	1.2
451.28705	1.1
451.46472	0.4
453.30209	1.9
455.31659	0.6
457.25900	0.9
467.28024	5.3
468.28345	0.9
487.30658	4.9
488.30887	0.7
499.30634	100.0
500.30905	18.4
517.32404	58.0
518.31482	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	517.3166
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
55.00143	0.2
57.03450	0.2
59.01377	1.4
61.98821	0.2
62.95278	0.2
69.03437	0.2
70.90221	0.5
71.05027	0.2
72.99299	0.2
73.02913	0.3
81.94489	0.1
83.05032	0.2
85.02950	0.8
87.04507	0.2
95.91119	0.2
97.02978	0.2
106.17641	0.2
108.68258	0.1
123.08188	0.2
123.10987	0.2
124.05353	0.2
135.08154	0.3
136.05298	0.2
148.89867	0.2
240.51254	0.2
365.28497	0.3
377.28482	0.8
390.25211	0.2
395.25696	0.4
405.27896	0.6
413.26892	0.6
414.27020	0.2
429.26190	0.3
451.28687	0.3
457.25708	2.2
458.26761	0.3
469.29559	68.0
470.29922	12.2
470.35446	0.2
484.54114	0.2
487.30667	6.7
488.30734	0.9
517.31763	100.0
518.32123	19.6
518.38513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3168
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
51.61700	0.2
57.03442	1.2
59.01373	2.2
61.98836	1.5
69.03448	0.3
71.01389	1.0
71.05033	0.6
71.32171	0.5
72.99336	0.3
73.02949	0.7
77.26917	0.3
83.05038	0.5
85.02967	0.6
87.04523	3.1
99.04542	0.3
99.77841	0.2
115.25544	0.3
117.03428	0.3
121.02984	2.1
122.03783	0.3
135.04527	0.3
140.23965	0.3
145.02950	0.6
151.00342	0.4
164.01173	0.4
191.05617	0.7
197.28067	0.3
204.35179	0.2
221.05057	0.2
286.05063	0.4
307.24191	1.2
334.03610	0.3
335.27460	0.4
345.20831	0.5
347.27249	0.4
353.24991	0.7
355.11859	0.7
355.26285	0.3
363.27023	0.6
377.28558	0.9
379.30331	0.5
387.26819	0.6
389.28619	1.0
391.26453	0.5
393.28094	0.6
395.29666	0.4
403.25302	0.8
405.28137	0.8
407.29568	5.7
408.30127	1.0
413.27292	0.4
413.32434	0.3
423.29141	0.5
425.30630	1.6
427.28796	0.7
437.30652	0.3
451.28531	7.3
452.28787	1.3
455.31931	0.5
457.25354	1.2
469.29565	20.9
470.30096	3.6
473.32489	0.5
481.29599	1.1
482.30545	0.3
487.30750	1.1
493.10641	0.3
499.30786	10.8
500.30969	2.6
517.31781	100.0
518.32135	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	517.2806
Annotation	Lucidenic acid P
Peak:m/z	Relative Intensity
55.01866	0.5
57.03454	1.3
59.01376	34.3
60.01717	1.0
60.99300	0.9
61.01777	0.4
61.98827	65.1
66.91305	0.4
69.03439	0.6
69.40339	2.8
69.40751	0.8
71.01389	5.0
71.05011	0.8
71.50324	0.3
73.02962	3.2
83.01373	0.6
85.02959	2.2
87.04518	0.6
89.02423	2.2
95.01382	0.8
100.95876	0.4
101.02465	2.3
108.02155	0.4
113.02456	1.9
117.03455	0.8
119.03556	0.6
119.05031	0.8
121.02966	1.5
125.02441	0.5
135.04564	0.8
137.02437	1.2
145.02997	2.7
145.54703	0.4
149.99564	1.6
151.00328	0.8
159.04472	0.4
161.02480	0.9
161.05968	0.4
163.07681	0.8
165.01868	0.9
175.04004	0.5
177.05513	0.6
191.05524	1.2
191.07135	0.7
201.05405	0.5
247.05952	1.7
255.02786	1.2
256.03189	0.7
257.04007	0.7
258.05154	0.7
265.06979	1.2
271.05957	0.6
284.03159	1.4
285.03387	1.2
286.03726	1.4
287.05072	0.5
307.23999	0.6
325.23578	1.2
332.87616	0.5
335.23660	1.3
337.23605	1.4
349.21432	0.4
351.23111	0.9
355.11911	5.7
355.24869	3.1
356.12119	0.8
377.24377	0.6
379.22867	3.3
380.23010	0.6
387.26596	0.5
395.25565	1.6
397.23822	27.9
398.24088	5.4
401.08896	0.6
409.10852	0.5
413.26453	1.6
414.27182	0.5
415.24609	0.5
423.28760	0.6
429.25998	1.0
439.24408	1.3
449.26294	0.6
451.27875	0.7
453.29810	0.6
457.25916	40.3
458.26303	7.8
469.28323	1.9
487.30130	0.5
499.30615	20.5
500.31006	4.3
517.27771	100.0
518.28052	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3165
Annotation	Saponaceolide E
Peak:m/z	Relative Intensity
53.37677	0.2
53.56989	0.2
57.03436	0.9
59.01376	4.5
60.18878	0.2
61.98830	6.2
69.03447	0.3
70.47543	0.7
71.05022	0.2
72.99311	4.4
73.02955	0.7
75.00874	29.0
76.01230	0.5
83.05020	0.4
97.06588	0.3
109.06654	0.2
111.04601	0.2
121.02943	0.4
165.70045	0.2
176.85034	0.2
188.85133	0.2
189.89731	0.2
222.67064	0.2
293.21176	0.7
301.18021	0.3
347.18985	0.3
351.26746	0.4
365.28351	0.5
397.31448	0.3
413.26678	1.3
414.27194	0.3
441.30075	31.0
442.30435	5.8
455.31512	0.7
457.25122	1.9
469.29633	0.4
471.31082	0.6
473.29163	1.3
473.33340	0.6
474.29449	0.6
485.32434	0.4
499.30362	0.8
517.31702	100.0
518.32080	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3165
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
59.01377	1.7
61.98834	0.9
64.81374	0.2
69.03677	0.2
69.35792	1.8
72.99310	0.6
73.02937	0.3
73.94288	0.2
75.00878	4.0
85.02911	0.2
136.05330	0.2
171.05965	0.2
274.34631	0.2
338.52988	0.2
365.28711	0.2
377.28748	0.2
405.27933	0.6
407.29581	0.3
409.27454	0.9
423.29175	2.2
424.29474	0.5
425.30817	1.3
426.30902	0.3
439.28549	0.5
441.30118	3.5
442.11615	0.2
442.30252	0.5
443.31760	1.2
451.28268	0.5
455.31836	1.2
457.29553	0.7
465.01578	0.2
469.29562	10.5
470.29788	2.3
473.32709	0.3
487.30649	5.5
488.31082	1.1
499.30383	0.3
517.31659	100.0
518.32013	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01091	0.2
59.01375	3.0
61.98814	0.8
69.03436	0.5
69.26115	1.9
71.05011	0.5
73.02937	0.6
83.05032	0.3
85.02950	0.5
87.00884	0.3
87.04520	0.3
97.06583	0.2
106.06131	0.1
122.03716	0.2
123.10987	0.2
124.05341	0.2
135.08208	0.4
136.05283	0.2
191.85863	0.2
215.10716	0.2
215.64148	0.2
280.14240	0.2
311.23746	0.2
313.25406	0.2
351.26767	0.4
361.24954	0.2
365.28540	0.3
377.28473	0.6
390.25278	0.3
395.25754	0.8
405.27792	1.1
407.29919	0.3
411.24884	0.4
413.27032	1.6
423.29227	0.2
429.26437	0.6
439.24625	0.3
451.28421	0.5
457.25845	6.4
458.26236	1.0
469.29559	66.3
470.29907	13.3
487.30658	6.9
488.31042	1.3
517.31976	100.0
518.32300	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	517.2806
Annotation	Lucidenic acid P
Peak:m/z	Relative Intensity
57.03450	1.0
59.01379	12.9
60.99307	0.8
61.98840	2.7
64.61629	0.3
69.03459	2.8
70.21700	1.0
70.22082	0.9
71.01385	0.5
71.05025	4.8
73.02958	3.9
74.04736	0.4
83.05058	0.4
85.02950	0.4
87.00877	1.5
121.03014	0.5
200.98357	0.4
206.00192	0.4
297.22177	0.6
313.25388	0.6
334.22299	0.4
335.23752	1.0
337.21945	0.4
339.23276	0.8
351.23483	0.7
351.26917	3.1
367.26413	3.0
369.24448	1.0
383.22098	1.0
395.25919	7.2
396.25900	0.8
397.23795	0.9
407.30054	0.6
411.25204	2.4
413.26962	12.9
414.27316	1.8
429.26450	5.8
430.26724	1.0
437.30466	1.2
439.24493	2.3
441.29675	0.5
443.30771	2.4
453.29846	0.8
455.31876	0.8
457.25931	45.5
458.26260	8.1
469.29593	22.9
470.29868	3.7
473.28616	0.8
485.33017	3.2
486.32867	0.8
487.30701	2.1
517.27240	100.0
518.28674	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	517.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36327	0.6
55.01865	0.8
57.03436	1.9
59.01378	24.8
59.01673	1.5
61.98831	39.8
69.03459	1.0
71.01388	14.8
71.64365	0.6
72.99313	1.2
73.02953	10.1
75.00880	2.3
78.91926	0.6
78.95909	0.7
81.03473	0.6
83.01398	2.6
83.05018	1.4
85.02953	7.1
86.72501	0.6
87.00879	1.9
87.04515	1.7
88.98824	0.9
89.02449	6.6
93.03470	2.4
95.01389	1.3
95.05066	0.8
97.02967	1.8
99.00882	4.1
99.04560	0.7
99.56789	0.6
101.02451	15.1
101.03095	1.1
107.05050	1.1
109.02963	2.2
109.06588	2.2
111.04531	0.8
111.08172	2.5
113.02458	6.0
117.03487	1.9
119.03493	2.3
119.05052	4.8
121.02893	0.9
123.04555	1.3
125.02480	1.8
129.02084	0.7
131.03529	1.4
132.02196	6.1
133.02977	28.0
134.03786	10.5
135.04536	52.1
135.11800	0.9
136.04865	2.2
137.02451	5.6
137.09760	1.0
141.09201	1.3
143.03531	1.5
145.02991	2.5
147.03032	0.7
147.04514	0.9
148.05315	2.0
149.00685	3.5
149.04797	0.7
149.06088	7.8
150.03255	0.8
151.00302	0.9
151.04004	0.9
155.10837	3.2
159.04553	1.1
160.01683	18.4
161.02461	100.0
161.04610	2.5
161.09700	1.0
162.02791	5.6
163.04022	3.7
163.07648	1.3
163.11263	4.9
175.04024	15.5
176.04672	1.3
177.01964	0.7
177.04074	1.3
177.05580	12.6
178.02701	1.8
178.05910	1.1
179.03517	61.8
179.10695	1.4
180.03902	3.2
181.12364	29.6
182.12730	1.2
189.05624	0.7
191.03612	0.6
191.05595	1.5
191.07172	0.7
192.04242	0.7
192.96422	1.0
192.99713	0.9
193.05106	4.0
195.13913	4.3
199.09787	1.2
201.63435	0.6
203.03571	3.0
207.06616	0.8
207.10272	2.2
207.13863	0.7
211.07660	1.9
212.07890	1.0
217.04997	0.9
221.04567	18.3
222.04866	1.2
223.09953	0.7
223.13399	7.4
224.13655	0.9
225.11330	63.8
226.11684	4.3
227.03336	0.9
228.66824	0.6
235.06186	1.5
239.12817	1.5
239.62949	0.7
251.05598	21.7
252.05972	2.0
263.05624	1.0
267.07419	1.4
267.12344	11.9
268.12646	1.2
271.02484	0.8
271.05994	0.7
281.06668	26.4
282.07043	1.6
285.03964	2.3
289.07141	0.9
295.08075	0.9
297.13449	5.4
305.06693	0.8
311.10056	1.0
323.07718	40.7
324.08173	3.2
327.14478	19.5
328.14755	1.8
337.09366	1.8
341.08780	36.8
342.09109	2.7
355.11722	1.0
355.25031	1.0
385.14920	0.7
387.16632	15.8
388.16940	2.1
408.43573	0.7
517.13153	9.7
517.19421	41.5
517.29688	5.3
518.15106	0.8
518.19708	7.1
518.31427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00876	0.3
54.84890	0.3
55.01876	0.6
57.03432	1.6
58.00589	0.8
59.01379	14.8
61.58025	0.3
61.98828	16.1
67.84747	0.3
69.03443	0.8
69.64068	2.7
70.16776	0.4
71.01382	10.3
71.05029	2.9
72.01756	0.4
72.84438	0.4
72.99304	1.0
73.02954	5.2
74.88615	0.4
83.01390	1.3
83.05019	0.8
85.02956	4.6
87.00887	1.1
87.04533	1.9
89.02455	3.5
95.01384	0.6
95.05033	1.2
97.02970	1.4
97.06649	0.4
99.00882	0.9
99.04539	1.1
101.02454	6.1
107.01331	0.5
107.05051	0.8
108.02177	0.5
109.02979	0.6
109.06602	1.6
111.04539	0.4
111.08163	1.7
111.16095	0.4
113.02451	3.3
115.04002	0.6
117.03471	0.6
119.03503	1.2
119.05012	0.6
121.02956	0.7
121.05039	0.4
122.03744	0.4
123.04533	0.7
125.02476	2.2
129.05624	0.4
131.03548	0.8
132.08672	0.3
135.04541	1.3
135.95683	0.4
137.02466	1.2
137.09695	0.6
143.03505	0.6
145.02933	1.8
147.06656	6.4
148.01651	0.6
149.99625	0.5
151.00395	2.6
155.05090	0.4
155.10786	0.6
161.02443	0.6
161.04541	1.8
161.09644	0.5
163.03926	0.4
163.11287	4.7
165.12814	0.6
168.72504	0.3
171.10300	0.4
173.04623	0.5
176.01109	0.4
177.12801	1.0
178.99930	0.4
179.03598	0.3
179.05643	0.7
181.12355	27.9
182.12668	1.6
183.04646	0.4
183.13861	0.9
191.03563	0.6
191.05531	0.7
195.13945	6.5
196.14301	0.7
203.03505	0.4
205.04955	0.4
205.12355	0.6
207.10223	2.3
209.04634	0.4
209.24515	0.4
223.11304	0.7
223.13388	8.9
224.13728	0.6
225.11317	39.5
226.02754	0.6
226.11656	3.3
227.03409	1.0
227.79941	0.4
239.12804	2.1
243.02959	3.4
249.11229	0.8
251.16531	8.2
252.16815	0.7
254.02202	0.6
255.02936	9.1
256.03391	0.7
265.09399	0.7
267.12344	9.1
268.12662	0.8
271.02469	19.0
272.02832	1.8
283.10281	1.5
287.05536	1.4
289.07376	0.4
293.04642	0.5
297.13397	1.1
299.01947	1.1
300.02750	32.4
301.03171	4.2
307.06058	0.7
325.16470	1.1
327.14410	3.9
328.14963	0.4
336.06409	1.2
337.24124	0.5
355.11755	1.3
355.24899	1.6
373.25912	2.9
387.16708	1.1
457.20914	1.1
469.29633	0.5
471.22598	0.5
473.23352	0.6
475.08640	2.8
476.09320	0.5
487.30902	2.4
499.21826	4.1
500.21927	0.7
517.11127	13.3
517.22852	100.0
517.30658	12.7
518.11542	2.2
518.23218	16.4
518.31018	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50386	0.9
55.01868	1.3
57.03436	2.4
58.00590	1.9
59.01376	48.6
61.98827	32.5
69.03444	2.6
69.26873	9.4
71.01382	36.2
72.99295	3.2
73.02947	10.6
73.80814	1.0
75.00866	5.0
83.01373	3.4
83.05022	2.2
84.95137	2.2
85.02949	11.7
87.00857	3.7
87.04491	1.4
89.02447	49.8
90.02765	1.3
93.03453	2.2
95.01386	1.8
97.02884	2.3
99.00870	2.7
99.04489	1.2
101.02448	20.9
103.03999	1.4
109.02912	1.2
111.00869	1.1
111.04541	4.8
113.02476	10.5
113.06094	1.7
116.92865	2.9
119.03514	6.7
119.05045	6.1
121.02959	2.6
121.10242	2.5
123.04501	1.8
125.02419	5.0
126.72364	0.9
129.01939	1.5
131.03542	6.1
133.02951	1.4
133.10205	2.1
134.03766	1.3
135.04518	3.8
135.08182	1.1
135.11795	4.3
137.02487	2.4
137.09712	3.8
141.09239	2.0
143.03539	1.5
145.02977	6.8
145.05199	0.9
146.03419	1.2
147.04575	1.1
148.05286	4.3
149.04529	2.8
149.09712	2.5
151.00327	1.7
153.01881	1.5
155.10803	16.4
156.11095	2.9
159.08157	2.6
159.11859	5.6
161.02426	3.2
161.04535	4.6
161.05946	2.2
161.09740	15.9
163.03995	3.8
163.07652	1.8
173.04544	2.5
175.11276	1.5
177.04062	2.6
177.05585	1.0
177.12807	2.9
178.99857	1.5
179.03488	2.1
179.05539	1.2
179.09352	1.6
179.10789	20.5
180.11157	1.5
191.05626	3.5
193.12297	4.9
199.09755	7.0
200.10057	1.3
203.10782	13.1
205.05029	1.1
221.11740	6.0
223.09732	9.5
233.06561	3.2
233.11650	1.0
235.06065	1.2
241.10696	1.3
249.06067	1.8
250.65521	0.9
251.75316	1.2
255.03033	1.5
265.07132	2.1
267.07278	1.4
285.03922	3.3
293.08783	6.9
295.07373	1.1
302.09805	1.4
306.07635	1.3
311.09842	39.9
312.10168	3.1
325.12958	6.9
337.09406	1.3
354.81326	1.1
355.11819	1.6
355.17935	1.0
360.18304	0.9
361.14853	2.2
369.15579	1.6
370.13641	1.3
385.14801	2.3
404.16074	2.4
428.15051	1.1
437.15851	2.4
445.20721	8.1
446.21362	1.4
455.19525	1.9
473.20361	22.2
474.20703	3.5
517.19116	100.0
517.29913	5.0
518.19403	16.1
518.31097	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1559
Annotation	4'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
54.72497	0.3
57.03458	0.3
57.82927	0.2
59.01385	1.8
61.98558	0.2
61.98820	1.2
69.03474	0.2
70.60676	0.8
71.01373	1.5
72.99306	0.4
75.00871	0.4
85.02960	1.6
87.00892	1.0
87.49368	0.2
89.02470	0.7
89.14602	0.2
93.03471	1.0
96.97016	0.3
99.00890	0.3
101.02450	0.9
106.04271	0.3
108.02188	0.5
109.02965	0.6
111.00900	0.4
113.02471	0.7
115.04031	0.3
117.03514	0.3
119.03596	0.4
119.05052	1.9
121.02968	1.4
123.04517	0.3
125.02473	0.5
129.01949	0.4
131.07182	0.3
132.02232	0.7
133.02991	1.5
133.06638	0.3
134.03761	37.7
135.04065	1.4
136.04938	0.3
137.02470	6.3
138.02802	0.2
139.04047	2.2
145.03029	0.3
147.04532	0.5
149.06107	14.0
150.03229	0.8
150.06465	0.9
151.04066	0.3
152.01212	0.6
153.01932	0.4
160.01648	2.4
161.02464	0.9
161.04567	0.4
163.04033	1.7
165.01910	0.4
173.04593	0.9
175.04024	4.0
176.04791	0.5
177.01952	0.4
178.02733	26.9
179.03114	1.6
191.05632	6.1
191.07156	0.6
193.05074	100.0
194.05415	6.4
195.05200	0.3
217.05028	0.3
220.83064	0.3
223.06104	0.3
223.35048	0.2
225.44731	0.2
226.06219	0.2
235.06090	1.5
255.10292	1.0
265.07230	0.4
295.08411	1.2
326.12262	0.2
343.08313	0.8
353.08859	0.4
355.10342	16.5
356.10806	1.8
388.47461	0.2
517.15704	3.8
518.15973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73037	1.4
59.01382	12.4
61.98830	10.3
69.39408	8.2
69.39833	7.5
71.01405	8.0
72.99336	2.3
75.00885	4.6
78.95921	5.2
82.95457	1.8
85.02977	5.4
87.00854	4.2
88.98813	1.6
89.02467	5.5
93.03470	6.2
96.96028	6.2
96.96990	7.3
98.20596	3.8
101.02464	5.3
108.02208	7.3
109.02960	5.1
111.00909	5.4
113.02462	4.2
113.06062	2.2
115.00391	2.0
119.03547	2.7
119.05036	4.0
121.02972	1.9
123.04568	2.7
133.02992	3.6
134.03772	10.9
135.04628	3.9
136.01666	2.7
137.02446	6.2
149.00697	8.2
149.02493	2.4
149.06128	5.2
151.03967	3.1
152.01178	6.7
153.01961	7.6
160.01694	9.8
161.02472	3.9
161.04588	2.4
163.04024	2.6
173.04538	3.5
174.01665	2.3
175.03992	14.6
175.06123	8.9
178.02754	4.1
179.03593	2.2
181.07162	2.0
188.58426	1.7
191.05626	26.0
191.07201	3.3
192.05939	1.9
192.99651	6.9
193.01276	2.7
193.05014	22.0
208.03610	2.2
213.05591	5.2
215.22806	1.5
235.06038	1.7
237.09210	4.1
241.05058	35.3
242.05504	2.6
255.10394	3.5
256.07428	31.2
257.07758	3.4
265.07141	1.8
271.09717	100.0
272.10062	11.7
295.08279	4.1
315.07150	13.2
319.11884	88.2
320.12125	8.1
343.08328	5.6
361.22192	1.8
481.17499	4.5
510.14215	2.0
517.16492	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	517.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01376	8.9
61.31460	0.2
61.98830	12.5
69.03462	0.6
69.53023	1.0
69.53452	1.3
71.01385	5.6
72.99297	0.6
73.02941	1.7
75.00864	1.3
78.91875	0.4
83.01389	0.9
83.05025	0.4
85.02946	2.5
87.00868	1.4
87.04527	0.4
89.02454	2.6
93.03465	1.1
95.01376	0.7
96.05454	0.3
96.96038	0.4
97.02959	0.6
99.00904	1.0
101.02446	2.9
105.03439	0.5
107.01405	0.3
109.02972	1.7
111.00903	0.6
113.02489	2.2
116.92874	0.3
117.03482	1.0
119.03496	0.9
119.05046	1.0
121.03011	0.5
122.06145	0.5
123.04540	1.2
124.01703	0.4
125.02452	1.6
126.02873	0.3
129.01938	0.8
132.02209	2.2
132.05841	0.3
133.02972	27.7
134.03865	3.1
135.04544	9.6
135.11848	0.5
136.04886	0.4
137.02452	1.2
141.09229	0.9
145.02963	1.6
147.03011	0.3
147.04543	1.0
148.05321	0.4
149.00676	0.4
149.06113	1.4
151.00336	0.6
151.04103	0.3
153.09328	0.3
155.10803	1.2
156.11143	0.5
159.03052	0.4
159.04491	0.3
160.01694	2.9
161.02458	100.0
162.02795	5.1
163.04004	1.1
163.07664	1.0
165.00172	0.8
166.05118	0.9
168.00641	0.6
169.00972	0.5
170.01178	0.5
173.04587	0.5
174.03209	0.3
175.02509	0.6
175.03995	4.6
176.04741	1.3
177.01956	0.7
177.04066	0.6
177.05583	1.2
179.03511	15.5
179.07019	0.5
179.10777	0.8
180.03841	0.8
180.11168	0.3
181.12334	1.2
191.05573	0.8
191.07162	1.4
192.99648	0.5
193.05034	2.8
195.05119	0.5
199.09909	0.4
203.03561	2.5
205.05032	0.9
207.06602	0.5
210.06857	0.6
211.04103	0.3
211.07614	3.9
212.07980	1.5
217.05014	0.3
221.04546	1.8
225.11272	1.6
227.03537	0.8
235.06094	2.4
237.98055	0.3
243.12326	0.3
245.08113	0.3
249.06171	0.6
251.05618	1.3
255.02974	1.8
256.03442	0.5
259.06134	0.4
265.07175	1.0
267.07208	0.9
267.16144	0.7
271.02429	0.6
281.06696	1.4
283.02560	0.6
284.03195	1.3
285.04013	2.6
286.04431	0.8
288.56659	0.9
295.07913	1.1
300.02731	0.8
301.02945	0.3
323.07758	3.3
337.09085	2.0
341.08630	2.8
341.58975	0.5
348.09122	0.5
355.11871	3.7
356.12192	0.3
435.09421	0.3
469.29663	0.4
474.33929	0.3
517.13745	10.9
517.23041	3.8
517.30823	4.5
518.13464	2.1
518.23486	0.5
518.30939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.4
58.79387	0.3
58.97339	0.3
59.01383	5.8
61.98834	2.9
62.22094	0.3
70.98086	0.5
70.98487	0.5
72.99313	1.0
73.02942	0.7
85.02961	0.3
88.01144	0.3
100.36358	0.3
121.02934	0.5
135.04558	0.4
171.03021	0.3
171.04460	0.5
173.06146	0.5
187.04083	0.5
201.05594	1.2
215.03532	1.7
217.05095	0.8
227.03555	0.8
228.04103	0.3
229.05077	5.7
229.08624	0.6
230.05620	0.7
231.02956	0.4
243.03011	6.1
244.03613	1.0
245.04558	2.6
245.08340	0.5
246.04860	0.3
255.03032	0.4
256.03534	0.3
257.04440	0.5
258.05414	0.5
271.02597	0.4
271.06042	0.8
273.07678	5.4
274.07932	0.8
289.04681	0.4
313.08563	0.5
315.06662	0.8
317.04587	0.6
317.08005	0.7
328.07251	0.8
329.08334	0.8
330.09036	0.4
331.06061	0.7
331.09799	0.7
332.06857	0.4
339.06549	0.6
340.07391	0.8
341.08237	1.4
342.04895	0.4
342.08826	0.4
343.06180	2.5
343.09921	0.5
344.06577	0.7
345.03928	0.5
345.07672	0.5
345.20572	0.7
347.05368	0.4
355.09735	0.7
356.06860	0.4
357.07635	2.3
357.11414	0.4
358.08295	0.9
359.05518	1.1
359.09317	1.0
360.06174	0.5
361.07141	0.7
367.06131	0.5
368.06747	0.5
369.07620	1.0
370.08527	0.3
371.05508	1.4
371.09503	0.7
372.06323	0.9
373.07132	0.6
374.07953	0.5
375.08603	0.4
377.24500	0.3
382.08374	0.4
383.09555	2.0
384.06046	0.7
385.07111	3.9
385.11078	0.4
386.07870	2.5
387.04544	0.7
387.08987	2.1
388.05862	0.9
389.06479	0.6
395.05548	0.5
396.06427	0.8
399.08853	2.5
400.09503	0.6
401.05859	0.6
401.10355	1.1
402.07245	0.6
403.08212	1.0
403.24884	0.9
405.09439	0.3
409.07092	0.6
411.04248	0.3
411.08862	1.2
412.05746	2.2
413.06195	1.9
414.07632	1.6
415.03760	0.5
415.08240	1.0
417.09982	0.6
423.04962	0.7
424.05988	0.4
425.30145	0.4
427.08084	3.8
428.08871	1.8
429.09824	2.8
430.06836	1.2
430.11536	0.5
431.06741	1.7
437.06705	0.6
438.07642	0.7
439.08328	1.3
441.06232	0.9
442.30408	0.6
443.11307	0.7
445.08908	2.9
446.10068	1.3
454.30640	0.5
455.07108	1.7
455.31607	0.9
456.08353	3.6
457.09509	1.5
457.29642	1.1
458.09900	0.4
459.07294	1.8
460.07529	0.5
461.12292	0.7
467.07761	0.8
469.29544	3.1
471.10941	3.4
472.11017	0.7
473.08276	2.8
473.32687	0.9
474.09317	2.7
475.10138	1.2
482.10168	0.9
483.10904	1.0
487.30130	0.4
489.11984	2.3
499.10349	3.0
499.30563	1.1
500.11145	0.4
502.09137	0.4
516.30286	9.5
517.11383	100.0
517.31567	30.2
518.11713	19.2
518.31836	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	517.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
57.68637	0.2
58.13263	0.2
59.01378	3.9
61.98827	5.3
62.19196	0.2
63.02398	0.6
65.00318	0.6
69.46652	2.1
71.01379	2.1
73.02951	0.7
83.01399	0.8
85.02961	0.8
89.02465	0.8
91.01895	0.3
93.03493	0.6
99.00955	0.3
101.02439	1.1
107.01411	1.9
108.02181	1.9
109.02953	1.2
111.00902	0.2
113.02462	0.9
117.03433	0.2
119.05075	0.3
120.96265	0.2
121.02943	1.2
122.66485	0.2
125.02451	0.5
131.03502	0.4
135.00877	0.6
137.02393	0.4
145.03021	0.4
148.01711	1.2
149.02460	0.3
151.00395	6.4
152.01045	0.2
153.01926	0.3
155.10735	0.4
159.04414	0.3
161.02426	0.4
161.04593	0.5
163.00331	1.7
163.03886	0.3
164.01112	0.8
165.02028	0.3
173.06023	0.3
175.04010	0.4
178.99878	3.7
181.12326	0.3
183.04550	0.4
187.03964	0.4
188.04643	0.2
192.00697	0.4
199.03922	1.3
203.03496	0.4
211.03995	1.2
215.03535	0.9
216.04224	0.5
225.11272	0.3
226.02731	1.6
227.03488	3.5
228.04086	0.4
229.04878	0.3
231.02716	0.2
243.02965	11.3
244.03441	1.0
245.04716	0.4
254.02190	1.8
255.02975	27.8
256.03403	2.7
271.02463	54.5
272.02890	5.8
273.03955	0.8
283.02518	1.0
299.01880	1.4
300.02753	100.0
301.03394	22.8
302.03940	1.2
325.16541	0.9
355.24792	0.7
373.25891	1.3
375.20108	0.4
448.25165	0.2
457.07965	1.2
457.20926	0.7
458.08090	0.3
473.23163	0.3
475.08832	8.0
476.09283	1.0
499.08090	0.2
516.37518	0.2
516.45825	0.2
517.09857	48.8
517.22534	1.3
517.31097	3.6
518.10284	8.1
518.31488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.5
59.01384	12.6
61.98834	11.9
69.45201	2.8
69.45603	1.1
71.05009	0.4
72.99302	0.8
73.02946	1.4
75.29160	0.5
80.44202	0.4
88.09142	0.5
98.20657	1.0
109.02977	0.5
151.04073	0.4
185.67328	0.4
188.04787	0.6
208.72951	0.4
215.19231	0.4
227.03546	0.5
232.03835	1.1
233.04622	0.6
241.05019	0.7
245.04396	0.9
271.06064	0.8
315.06711	0.7
316.03973	0.5
330.05298	0.6
330.52673	0.4
331.06128	0.6
331.09839	0.6
341.08228	0.8
343.05963	0.8
344.06995	0.6
345.07834	1.1
355.05881	0.5
355.09872	0.9
356.06763	0.6
357.07684	1.4
359.05478	1.1
359.09384	0.6
360.06424	0.6
361.06995	0.7
368.06668	0.7
369.07709	1.6
370.04471	0.6
371.05423	1.3
371.09579	0.8
373.07263	0.9
375.08661	0.7
383.09305	1.2
384.06183	1.4
385.06940	2.1
386.07986	1.4
387.09006	2.5
388.05554	0.6
389.06140	0.5
389.10663	0.6
399.04865	0.9
400.05560	0.6
401.10059	1.5
402.07245	0.5
403.08069	0.7
405.10385	0.6
411.09030	2.2
412.05371	2.8
413.06628	4.0
414.07245	1.0
415.04001	2.9
416.04877	0.8
417.09903	0.7
427.08279	1.5
428.08942	1.2
429.10013	2.1
430.06656	1.2
431.07687	1.6
437.06561	1.6
438.07407	0.7
439.08395	1.6
440.04846	1.2
441.06143	2.0
442.06613	0.9
443.07712	0.7
445.09055	0.5
446.10092	1.0
447.11069	1.5
455.07739	7.7
455.31744	0.7
456.08203	1.6
457.05280	1.0
457.29498	3.6
458.06409	20.2
459.06857	3.2
461.12408	2.0
471.10522	2.6
473.07623	0.6
473.32843	1.0
474.09686	1.0
475.09729	0.7
484.08023	1.1
485.29492	0.8
489.11874	4.8
490.12036	0.9
499.10361	29.7
500.10776	5.0
516.30438	5.5
517.11377	100.0
517.31659	24.9
518.11694	18.2
518.32019	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	515.3737
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
59.01365	3.5
59.35276	1.8
61.98828	9.7
62.22846	1.7
69.55373	2.3
70.91927	4.9
72.33333	2.1
92.70190	2.0
260.14661	2.2
287.76764	2.5
393.20798	2.1
455.35266	100.0
456.35437	17.4
515.33014	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	516.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78554	0.3
59.01374	2.0
61.98824	0.5
63.87621	0.3
69.03463	0.4
70.02975	0.3
71.01385	8.4
71.05021	8.1
71.58961	0.5
72.00906	0.5
73.02948	0.8
81.03455	0.5
85.02952	1.5
87.00877	0.7
88.04050	6.7
89.02442	1.3
93.03487	1.8
95.01450	0.6
96.96003	0.3
99.00867	0.5
99.04519	3.4
101.02456	1.4
108.02184	30.1
109.02980	12.9
110.03271	0.4
113.02454	1.1
114.93427	0.5
116.07183	1.4
119.05002	0.3
121.02991	1.3
123.00909	0.5
123.04492	0.6
131.03491	0.5
133.02939	0.7
134.03780	1.7
135.04547	1.5
137.02432	0.5
145.02972	0.6
146.08244	14.5
147.08554	0.4
149.02396	0.3
149.06117	0.4
151.04041	1.3
152.01164	41.7
153.01959	14.3
154.02304	0.5
160.01643	2.0
161.02454	0.6
163.04037	2.7
165.01944	0.9
165.34795	0.4
173.04559	0.6
175.04010	3.9
181.05042	0.3
190.81424	0.3
191.05609	2.6
191.07100	0.7
192.05940	0.3
193.05045	2.3
205.05031	0.5
207.06590	0.3
211.64049	0.3
218.10272	2.1
219.02994	0.4
235.06079	1.2
255.10031	0.4
263.21671	0.4
265.07123	1.1
295.08167	0.8
297.06165	2.5
306.48611	0.3
315.07263	3.2
369.08261	5.9
370.08664	0.8
397.11368	1.0
496.41791	0.3
516.17169	100.0
517.17432	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	516.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20491	0.1
52.82280	0.1
59.01376	0.5
61.98830	100.0
62.98525	0.2
65.64370	0.1
69.55429	0.4
69.55836	0.2
69.57001	0.1
70.28069	0.1
71.01395	0.3
73.02953	0.2
85.02963	0.2
89.02457	0.2
97.68723	0.1
98.19891	0.1
101.02463	0.3
113.02497	0.2
117.78632	0.1
136.29657	0.1
161.04549	0.1
161.09753	0.1
175.04070	0.1
177.01965	0.1
179.10849	0.2
311.09814	0.2
337.09363	0.1
455.23880	0.1
456.24109	0.7
473.19907	0.1
517.18756	0.7
517.31476	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.4
57.03415	0.6
59.01377	18.9
60.99274	1.2
61.98831	2.7
70.56364	1.4
70.62283	0.4
71.01348	1.0
71.05016	2.7
73.02947	3.5
73.66386	0.4
83.04988	0.9
89.02433	0.4
92.64591	0.4
101.02407	0.7
115.33938	0.4
119.31124	0.4
125.09702	0.5
127.51225	0.4
195.01859	0.4
236.20859	0.4
253.09206	2.5
272.08878	0.4
279.23291	21.3
280.20944	0.4
280.23560	2.4
280.60117	0.3
311.23901	0.4
339.26865	1.0
355.30084	1.3
369.27951	0.8
381.28003	0.4
393.31696	6.7
394.31900	1.5
407.29688	0.9
409.30981	2.5
411.32639	0.9
423.29001	0.9
437.30573	10.6
437.36435	0.9
438.30850	2.0
455.31653	55.5
456.31955	10.8
515.33759	100.0
516.34119	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	515.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01151	0.4
59.01384	3.9
61.98837	2.0
69.31497	3.0
71.19927	0.3
72.99311	3.9
73.02929	0.4
78.95924	0.4
85.02966	0.5
100.49323	0.3
101.99579	0.5
181.01595	0.3
287.22205	0.6
293.21292	0.6
355.26337	0.9
381.31732	0.6
395.29605	0.6
413.30667	2.5
421.27328	0.4
425.30609	36.4
426.30939	6.9
427.32379	0.7
435.29004	0.3
437.26590	0.5
439.28470	1.2
441.30029	5.2
442.30405	0.9
443.31815	1.1
453.29910	1.0
455.27585	0.7
471.30884	2.6
472.30966	0.5
485.29144	10.2
486.29568	1.9
487.30399	1.6
515.30048	100.0
516.30408	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3374
Annotation	Nanjiol B
Peak:m/z	Relative Intensity
55.23655	0.8
57.03450	6.1
59.01376	28.0
60.99312	0.9
61.98824	6.3
69.50183	0.8
72.99315	2.3
73.02953	3.7
83.05040	2.1
104.53535	0.8
113.02435	1.1
127.12101	0.9
199.38550	0.9
211.61496	0.9
355.30225	1.6
365.28479	1.1
369.27802	1.1
377.28323	1.1
393.31903	2.1
407.29257	1.2
409.31146	2.0
425.30643	5.1
426.31113	1.3
437.30658	8.7
438.30991	2.6
441.30090	3.1
453.29745	0.9
455.31702	70.5
456.31940	17.0
457.29468	2.0
469.29346	4.4
471.30911	2.0
472.31305	1.1
497.28943	3.7
515.33569	100.0
516.33740	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	515.3373
Annotation	Nanjiol B
Peak:m/z	Relative Intensity
51.17823	0.4
54.41085	0.4
57.03446	2.1
59.01377	16.0
60.99296	1.1
61.98822	0.5
62.07087	0.4
68.99783	0.3
69.03471	0.5
71.35222	0.6
71.35559	0.8
73.02956	2.4
83.05013	0.5
100.37473	0.4
106.68053	0.4
109.15536	0.4
112.09274	0.4
132.64777	0.5
135.11063	0.4
188.37340	0.5
253.08887	0.4
325.25281	0.6
339.27051	1.0
351.06070	0.5
355.30078	0.7
381.27698	0.5
393.31769	5.9
394.32132	0.9
407.29544	0.8
409.30981	2.8
411.32944	1.0
437.30579	8.2
438.30896	1.6
455.31625	52.2
456.31946	10.3
515.33710	100.0
516.34058	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	515.301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65465	0.2
57.03451	1.0
59.01148	0.1
59.01382	1.8
61.98829	3.0
63.02405	0.2
65.00316	0.3
71.01384	0.7
71.16207	0.4
71.16570	0.2
72.99309	4.1
73.02930	0.4
83.01379	0.5
83.05037	0.2
85.02949	0.6
93.03501	0.2
99.04478	0.2
101.02443	0.7
107.01401	0.7
113.02460	0.2
115.35548	0.2
119.05019	1.3
121.86440	0.2
125.02455	0.2
137.02451	0.6
151.00388	2.1
151.11189	0.2
161.04518	0.4
169.12340	0.5
175.00349	0.2
177.02063	0.2
199.03951	0.2
201.11494	0.2
209.11812	0.3
271.06097	4.5
272.06390	0.4
302.24765	0.2
311.23953	0.2
332.00909	0.2
371.25119	0.2
381.28113	0.2
383.24338	0.5
383.29465	0.6
393.27951	0.5
395.29678	0.2
408.14197	0.2
411.29019	0.4
418.09314	0.2
441.29407	0.3
455.24152	0.3
467.28183	0.5
471.31509	0.9
483.31464	0.3
485.28705	0.3
497.28677	0.6
515.30109	100.0
516.30463	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	515.3012
Annotation	Ceanothetric acid
Peak:m/z	Relative Intensity
55.66059	0.3
55.88051	0.4
57.03202	0.3
57.03453	5.9
59.01371	2.0
60.38110	0.3
61.98827	1.2
70.76287	0.5
70.76617	0.7
71.01375	0.4
72.99319	0.8
73.02924	0.6
85.02963	4.3
85.04168	0.3
96.96821	0.3
101.02473	0.3
128.09288	0.3
188.36618	0.4
353.97021	0.4
355.26328	2.7
356.26883	0.5
409.27786	0.6
411.29108	0.7
413.30542	0.8
423.28949	0.5
439.28409	2.1
441.30112	28.8
442.30518	5.4
455.28091	1.4
467.27768	2.5
468.28357	0.6
471.30969	1.5
485.29062	32.6
486.29468	6.6
497.29117	1.6
515.30084	100.0
516.30469	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70912	0.1
55.25656	0.1
57.03434	0.3
59.01374	0.6
60.99270	0.1
61.98830	0.7
71.56110	0.1
71.56487	0.1
72.99311	4.3
73.02950	0.2
76.20567	0.1
83.05040	0.2
85.02938	0.2
87.04501	0.1
97.02958	0.1
227.09949	0.1
235.70995	0.1
239.72548	0.1
301.68570	0.1
365.28436	0.2
375.26666	0.1
377.28439	0.1
393.27997	0.3
409.27060	0.1
411.28760	0.1
413.30643	1.7
414.30930	0.3
423.29034	0.2
425.30594	0.1
439.28525	0.5
441.30148	1.4
442.30386	0.4
453.30038	0.3
455.27826	0.4
467.28021	0.4
471.31027	0.3
485.28973	0.3
497.28870	0.6
502.99359	0.1
515.30060	100.0
516.30414	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	515.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
57.03435	2.5
58.00574	1.2
59.01378	52.6
61.98829	41.6
69.03452	1.4
69.46083	1.0
71.01382	30.9
71.05029	4.7
71.59629	1.6
72.99293	4.4
73.02940	9.6
75.00871	2.2
78.95914	1.9
81.03491	1.1
81.07078	1.3
81.82679	0.8
83.01391	3.3
83.05031	4.1
85.02949	9.9
87.00888	4.8
87.04518	2.6
88.98802	1.5
89.02440	15.4
93.03470	3.5
95.01385	2.4
95.05027	1.0
96.96017	4.2
96.96975	2.3
97.02949	3.6
97.06593	1.7
99.00883	2.1
99.04532	2.9
101.02449	19.2
101.06076	2.1
107.05027	1.2
107.08651	1.4
109.02925	1.9
109.06577	2.4
111.04519	2.9
111.17127	0.9
113.02452	9.6
119.03509	4.0
119.05040	1.7
121.02969	4.4
121.06566	0.9
123.04498	2.5
123.08118	1.6
124.01728	1.0
125.02466	6.1
125.06143	1.8
127.03980	4.4
129.05632	4.6
131.03517	1.3
133.10262	2.0
133.93010	1.1
135.08182	4.6
135.11803	7.7
136.01648	1.5
137.02467	3.8
137.06114	1.1
139.07664	2.3
141.09250	3.6
142.14751	1.1
143.03474	1.5
145.02943	3.1
147.06645	8.2
147.08066	2.0
147.11823	1.2
149.02440	2.1
149.09703	1.6
149.99570	1.2
150.03226	1.9
151.00407	1.3
151.04071	1.1
155.10780	2.6
157.10263	1.8
159.08170	2.6
159.11784	8.0
160.01663	2.1
161.02458	2.1
161.04607	3.0
161.09715	13.5
162.10045	1.5
163.04086	1.4
163.11308	1.9
164.01190	1.1
168.00655	1.6
168.52736	0.9
173.04579	1.2
175.04007	3.1
175.11229	2.5
177.01970	1.0
177.05560	1.2
177.12868	8.9
179.05598	1.8
179.10788	35.3
180.11089	2.2
181.12340	4.0
191.07101	1.1
191.10791	1.8
193.05002	1.4
193.12338	5.1
203.10777	6.0
205.08763	4.0
221.11821	21.0
222.12169	1.9
223.06149	3.9
223.09735	4.9
225.11287	4.6
251.12885	1.4
255.02901	1.9
265.10904	4.7
267.04932	1.0
267.12344	1.1
271.06177	2.4
289.07220	2.2
293.13962	1.1
309.11926	31.1
310.12274	2.3
325.12881	3.4
353.23184	5.2
385.15015	1.1
471.22314	81.4
472.22809	11.1
494.07849	0.9
497.20221	1.9
515.21301	100.0
515.28632	15.7
516.21765	18.1
516.28979	3.0
528.63409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3009
Annotation	Saponaceolide F
Peak:m/z	Relative Intensity
50.31536	0.2
56.12577	0.2
57.03428	0.9
59.01376	4.0
61.98825	1.3
71.59325	0.3
72.98940	0.3
72.99310	4.1
73.02939	0.4
83.05018	0.4
85.02956	1.1
87.04498	0.5
87.69760	0.2
91.66258	0.2
94.37256	0.2
97.06613	0.3
113.02452	1.7
123.08151	0.3
124.05188	0.2
129.01865	0.3
146.19283	0.2
148.12978	0.2
179.41588	0.2
203.84012	0.2
271.16888	0.3
273.99982	0.3
287.20172	3.8
288.20386	0.3
355.26489	1.2
367.26340	0.3
377.28482	0.4
383.25723	0.5
385.27209	1.0
393.27567	0.3
395.29172	0.3
401.26395	0.3
403.28439	0.3
411.28717	0.5
423.28931	0.4
437.30621	0.7
439.28552	0.4
441.30164	6.7
442.30127	1.0
443.31189	0.6
444.85110	0.3
448.92548	0.3
451.28232	0.9
453.29587	0.5
455.31778	5.8
456.32120	1.2
457.29547	19.2
458.29910	3.9
469.29529	9.7
470.29938	1.6
471.30972	1.5
472.31027	0.3
474.53647	0.2
485.29044	2.6
486.29095	0.5
487.30396	2.6
488.30856	0.5
497.28748	1.7
498.29294	0.4
515.29877	100.0
516.30206	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.2
60.69271	0.2
69.45154	1.8
72.99310	1.6
85.02907	0.3
135.08209	0.2
146.32678	0.2
409.27328	0.3
411.91418	0.2
413.30627	0.3
425.24902	0.3
425.30621	4.2
426.30969	0.7
439.28610	0.7
441.30081	4.2
442.30411	0.9
467.28009	2.5
468.28314	0.5
485.29037	4.0
486.29379	0.7
487.30637	0.2
515.30103	100.0
516.30444	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	515.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50105	0.2
57.03443	0.2
59.01360	0.3
61.84518	0.2
66.56273	0.2
70.88213	0.5
72.99306	1.3
85.02963	0.2
123.12936	0.2
216.55490	0.2
248.13795	0.2
266.96820	0.2
398.48013	0.2
409.27426	0.3
413.30414	0.3
425.30576	2.0
426.31339	0.3
439.28455	0.4
441.30063	3.0
442.30338	0.4
467.27951	2.5
468.28561	0.3
485.28983	4.4
486.29297	0.8
497.27975	0.2
515.30084	100.0
516.30432	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	515.3011
Annotation	Adynerin
Peak:m/z	Relative Intensity
50.24842	0.2
55.18165	0.2
57.03444	1.2
59.01374	2.2
61.98808	0.6
65.54555	0.2
69.87714	0.2
71.14232	0.5
72.99306	2.4
73.02191	0.2
83.05022	0.3
85.02924	0.6
99.52602	0.2
103.13933	0.2
113.02458	1.2
287.20215	0.4
355.26300	0.6
377.28345	0.3
383.25922	0.3
423.28799	0.3
425.30710	1.1
426.31134	0.3
437.30475	0.4
439.29074	0.2
441.24542	0.4
441.30078	5.3
442.30222	0.8
443.31427	0.3
451.28229	0.4
455.31750	5.1
456.32114	1.0
457.29608	2.2
458.29666	0.3
469.29556	4.8
470.29706	0.7
487.30264	1.4
488.31058	0.3
497.28812	1.5
515.29913	100.0
516.30200	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3011
Annotation	Adynerin
Peak:m/z	Relative Intensity
57.03446	0.2
59.01376	0.6
61.98829	1.5
62.48288	0.1
69.31989	1.0
72.99307	4.0
73.02965	0.1
85.02933	0.2
96.25960	0.1
127.20502	0.1
160.60139	0.1
188.12181	0.1
332.50537	0.1
363.03397	0.1
393.27960	0.2
405.27881	0.1
423.29150	0.2
425.29636	0.3
427.32156	0.2
439.28458	0.1
441.30014	2.3
442.30438	0.4
453.30188	0.2
455.28113	0.4
467.27917	0.2
471.30902	0.4
472.31384	0.1
485.28983	1.2
486.29242	0.2
497.29117	0.2
515.30060	100.0
516.30414	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	515.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01376	2.6
60.99313	0.4
61.98836	2.1
64.58956	0.3
67.01894	0.9
69.03475	0.5
69.53014	0.9
69.53434	1.2
71.01376	1.7
73.02939	0.4
73.95051	0.3
75.00876	0.4
75.72263	0.3
75.77083	0.3
77.01335	0.2
81.03442	0.6
83.05023	0.5
85.02955	9.5
87.00878	2.5
89.02438	0.6
93.03461	5.1
96.96025	0.5
96.96979	0.8
99.00860	0.3
99.04566	0.5
101.02449	0.6
108.02206	0.7
109.02962	1.2
111.04542	1.3
113.02464	0.5
116.92840	0.5
117.03474	1.2
119.03629	0.3
119.05000	0.4
123.04574	0.3
125.02461	0.7
127.04044	2.0
129.01941	0.5
132.02208	1.4
133.02965	5.8
135.04541	5.8
137.02467	0.5
146.08289	0.4
149.17101	0.2
152.01166	1.1
153.01974	0.7
160.01646	3.5
161.02460	48.7
162.02809	2.9
163.04031	0.4
165.01881	0.3
167.76851	0.2
171.03026	0.8
173.04549	2.0
173.08298	0.3
174.04962	0.3
178.49701	0.2
179.03488	4.9
191.05618	100.0
192.05945	4.2
252.64853	0.3
323.07709	46.1
324.08115	3.7
341.08829	2.9
342.08768	0.3
353.08719	3.3
354.09137	0.3
494.58694	0.3
515.13947	33.6
516.14337	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71447	0.2
57.03445	0.5
58.22654	0.2
58.87315	0.3
59.01379	100.0
60.01716	1.2
61.98830	7.5
69.33144	0.8
69.33562	2.0
71.01383	9.3
71.05035	0.7
72.99345	0.5
73.02962	1.9
73.03653	0.2
75.00877	0.3
79.78867	0.2
83.01431	0.6
83.05068	0.5
85.02961	1.7
87.04520	1.7
87.50643	0.2
89.02444	1.8
89.06110	0.8
93.03482	0.3
95.01466	0.4
99.00918	0.3
101.02462	1.8
109.03009	0.3
113.02448	1.3
117.22410	0.3
119.03551	0.4
119.05108	0.7
121.02959	1.9
125.02519	0.8
127.04074	0.5
134.03783	0.5
135.04568	0.3
137.02487	0.5
137.06148	0.3
139.07736	0.3
143.03549	0.6
145.03070	0.8
151.00453	0.8
151.03915	0.3
161.04614	0.5
163.04083	0.3
165.02072	0.8
205.05202	0.3
221.08231	2.2
233.10556	0.9
237.07916	1.1
251.16818	0.7
259.06506	0.3
262.47931	0.3
271.06137	1.3
291.09048	0.6
293.21530	0.6
305.23108	0.9
307.24786	0.5
309.11877	0.3
351.23642	0.5
353.23724	0.4
381.11908	8.8
382.12274	1.6
403.26810	0.3
455.24295	1.6
456.25089	0.4
467.28040	12.0
468.28506	1.8
469.30157	0.4
479.21411	0.3
485.29742	0.5
515.30750	11.4
516.30920	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	515.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.3
59.01374	2.3
61.98828	3.2
65.77497	0.2
67.01909	0.5
69.03461	0.3
71.01399	1.8
73.02975	0.6
75.00877	0.3
78.95930	0.3
81.03464	0.6
83.05042	0.7
85.02956	10.8
87.00877	2.3
89.02455	0.3
91.15600	0.3
93.03460	4.3
96.96011	0.7
96.96950	0.6
98.17815	0.3
99.00912	0.3
99.04509	0.5
101.02440	0.6
108.02203	0.7
109.02952	1.6
111.00931	0.3
111.04508	1.4
113.02455	0.5
117.03458	1.3
123.04547	0.5
127.04034	2.7
132.02209	1.0
133.02975	7.9
134.03374	0.3
135.04546	2.7
137.02409	0.4
152.01135	0.9
153.01927	0.4
155.03520	0.5
160.01654	2.8
161.02458	53.8
162.02798	2.6
171.02989	0.9
173.04544	1.8
175.04054	0.3
179.03497	3.3
191.05615	100.0
192.05954	4.4
236.55676	0.3
253.08728	0.3
289.06854	0.3
308.67181	0.3
323.07697	37.1
324.08011	3.4
341.08911	1.8
353.08752	3.6
354.09088	0.3
460.02762	0.3
497.17307	0.3
515.13934	41.6
516.14215	6.7
516.24597	0.3
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	Kaempferol 3-(2'',4''-diacetylrhamnoside)
Peak:m/z	Relative Intensity
52.18704	0.3
57.03451	0.8
59.01379	54.0
60.01713	0.5
61.98832	18.4
65.00334	0.7
69.03449	0.9
71.05026	2.2
71.65376	0.5
72.99318	1.0
73.02947	0.9
83.01403	1.0
85.02972	1.2
87.04516	0.4
89.02454	1.1
89.06120	0.5
93.03483	1.2
95.01400	0.5
96.95995	0.4
99.00929	0.4
101.02478	1.7
107.01405	1.6
109.02988	0.5
109.06614	0.6
113.02452	1.3
117.03479	0.5
119.05054	0.9
120.02242	0.4
120.67853	0.4
121.02979	2.2
127.04019	0.4
132.02209	1.2
134.03728	0.4
135.00911	1.3
137.02449	0.5
145.02972	0.8
148.60225	0.4
149.09723	0.6
150.34073	0.4
151.00369	3.0
152.53386	0.3
155.10854	0.6
159.04420	0.4
161.02444	0.4
161.04584	0.7
163.00395	1.0
163.04016	0.5
163.11227	0.5
164.01157	0.5
165.01990	0.7
167.05107	0.4
183.04578	1.8
183.10278	1.1
185.02470	0.9
185.06119	0.6
187.03954	0.6
199.04065	0.5
205.04979	0.6
211.04027	2.1
221.08189	6.2
227.03502	36.7
228.03860	3.3
229.05046	1.6
239.03476	1.0
245.36382	0.4
255.02974	67.6
256.03464	7.4
257.04532	1.2
269.04401	0.5
271.06107	1.6
283.02490	6.6
284.03247	100.0
285.03891	25.2
286.04324	1.8
291.08389	0.5
370.76163	0.4
381.11966	3.9
385.24622	0.4
395.07724	1.0
396.08310	0.4
405.27448	0.4
449.26700	0.8
455.09897	4.6
455.24219	4.9
456.10776	0.7
456.24664	0.7
467.27979	2.6
471.30963	1.1
473.10709	0.5
479.20706	0.4
514.28082	0.9
515.11951	45.3
515.29291	16.6
516.12262	7.2
516.31287	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	515.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88078	0.8
57.03455	1.3
58.00599	2.1
59.01376	47.8
69.45574	1.6
69.45989	6.6
70.93914	1.0
71.01384	44.3
72.99311	3.5
73.02941	2.5
73.35844	0.9
75.00876	3.6
78.95915	3.1
83.01395	2.4
85.02947	8.8
87.00877	4.8
88.04059	1.3
88.98833	0.9
89.02451	45.6
90.02776	1.0
93.03427	0.8
95.01397	2.7
96.96033	1.4
96.96954	4.0
99.00885	5.4
101.02456	19.4
111.00903	1.3
112.98820	14.2
113.02458	14.4
115.00333	1.4
119.03522	14.2
124.98815	1.0
129.01945	4.2
130.05113	1.5
131.03514	2.3
133.01497	1.0
137.02461	1.6
142.99870	14.3
143.03558	4.4
145.01440	1.4
149.00676	1.6
149.04579	1.4
161.02458	3.6
161.04541	6.4
171.00685	2.0
172.89917	1.8
173.00937	10.9
173.04530	2.6
175.02530	1.0
179.05611	20.0
191.02029	1.2
191.05611	7.6
192.05916	1.0
192.99615	2.1
341.10892	100.0
342.11130	7.3
474.15329	1.1
515.15234	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	513.3581
Annotation	rubiarbonone C
Peak:m/z	Relative Intensity
59.01376	2.5
61.98833	1.2
78.95915	0.7
89.21852	0.3
152.99608	0.8
154.89229	0.3
162.93085	0.2
173.04550	0.6
191.05618	1.9
229.37328	0.3
345.66962	0.2
453.34018	6.2
454.34171	1.1
513.35803	100.0
514.36151	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3214
Annotation	Nanjiol A
Peak:m/z	Relative Intensity
59.01375	15.4
60.01725	0.2
60.99306	1.0
61.98825	0.9
69.03468	0.3
71.01373	0.1
73.02944	3.5
78.95940	0.3
83.05029	2.2
107.45298	0.2
109.06636	0.5
146.51776	0.2
204.07761	0.2
277.21701	0.2
311.65305	0.2
353.28589	0.5
365.28513	0.4
379.26450	0.5
391.30118	6.0
392.30624	0.9
405.28214	0.9
406.28189	0.2
407.29636	2.0
408.29935	0.4
409.31140	0.7
419.26306	0.2
433.28308	0.2
435.28998	9.6
436.29425	1.8
453.30066	53.9
454.30402	10.9
471.31192	0.2
495.31137	0.3
501.99924	0.2
513.32147	100.0
514.32501	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	513.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12291	0.5
56.99068	0.5
59.01381	16.6
60.99303	0.9
61.98841	2.5
62.59323	0.6
65.71534	0.4
69.03455	1.2
70.71281	1.7
71.05003	2.0
73.02956	3.6
75.57653	0.5
84.26674	0.6
87.00859	0.5
88.76260	0.5
209.59489	0.6
277.21719	3.1
278.22031	0.7
343.00494	0.6
355.28180	0.6
365.28513	0.6
391.30170	5.0
392.30331	0.9
405.27908	1.0
407.29398	1.6
409.31128	0.6
433.27551	0.7
435.23349	0.8
435.29025	9.3
436.29175	2.3
453.30078	56.4
454.30276	9.4
513.31952	100.0
514.32196	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	513.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03447	0.2
58.00618	0.2
59.01374	6.0
61.98840	0.2
69.03446	0.1
70.47315	0.2
71.01379	4.1
72.01721	0.1
72.99300	0.3
73.02945	1.1
83.01388	0.5
83.05051	0.2
85.02947	0.9
87.00864	0.5
87.72316	0.1
89.02444	2.9
91.04032	0.2
95.01398	0.3
97.02972	0.1
97.06610	0.1
99.00909	0.3
99.04510	0.1
101.02449	3.9
102.02763	0.1
103.04024	0.1
109.02939	0.1
109.06623	0.1
113.02457	1.8
115.04033	0.2
119.03511	1.0
125.02467	0.3
127.07674	0.2
130.77168	0.1
131.03531	0.2
133.05095	0.3
143.03531	0.4
149.04585	0.1
157.05049	0.2
161.04558	1.5
172.48369	0.1
179.05618	0.4
182.13152	0.1
205.19704	0.1
233.22723	0.3
235.08188	1.3
253.09264	16.2
254.09636	0.8
259.20621	0.4
275.20148	0.3
277.21695	100.0
278.22034	12.1
391.29990	0.1
435.28903	0.1
453.29886	0.9
454.30573	0.1
513.32153	1.6
514.31567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01305	15.8
59.01635	1.7
60.54377	0.3
60.99224	1.0
61.98754	1.4
68.99771	0.3
70.83179	0.5
71.04967	0.3
73.02872	3.1
78.95847	0.2
83.05006	0.2
97.81626	0.2
109.06541	0.5
141.78407	0.2
157.91812	0.3
199.07478	0.2
234.97090	0.2
255.75435	0.2
309.18509	0.4
337.25293	1.0
351.26785	0.5
353.28531	0.8
354.28601	0.4
365.28503	1.2
367.26416	0.4
379.26349	0.4
391.26517	0.4
391.30255	3.4
392.30426	0.4
405.27853	0.7
407.29526	2.1
408.30170	0.4
409.31137	0.9
435.29059	9.1
436.29337	1.8
441.30115	1.0
453.30066	54.2
454.25314	0.2
454.30362	9.8
513.32208	100.0
514.32526	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	513.3216
Annotation	Nanjiol A
Peak:m/z	Relative Intensity
51.21283	0.2
59.01546	7.2
60.01882	0.2
60.99160	0.4
60.99479	0.5
61.98677	0.4
61.98998	0.5
69.29808	2.0
73.02758	2.4
73.03219	1.2
82.02473	0.2
83.04825	2.3
83.05382	0.8
88.04292	0.2
109.06421	0.4
117.10150	0.2
123.12418	0.2
215.10529	0.2
280.79340	0.2
353.28445	0.4
365.28369	0.4
379.26169	0.5
391.30078	5.6
392.30316	1.0
405.27856	0.8
406.28403	0.3
407.29544	2.4
408.30060	0.3
409.31012	0.8
410.31299	0.4
412.78796	0.3
435.29001	9.3
436.29437	1.5
441.30005	2.2
442.29996	0.3
453.30060	55.0
454.30408	9.7
454.36847	0.4
471.31204	0.4
513.32269	100.0
514.32611	21.2
521.31464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41272	0.2
56.67405	0.3
59.01360	0.9
61.98822	1.5
64.98094	0.2
69.29926	1.1
69.30349	1.3
71.01376	0.4
72.99309	18.8
78.00533	0.2
78.31519	0.2
78.97318	0.2
83.05032	0.3
85.02950	0.9
92.94586	0.2
98.20665	0.5
100.10735	0.2
101.02329	0.2
122.37234	0.2
137.02432	0.3
142.77026	0.3
209.11845	0.3
280.84842	0.3
309.44571	0.3
347.27518	0.3
363.26904	0.8
365.28583	0.4
373.25220	0.4
375.27032	0.3
391.26352	2.2
392.26599	0.4
393.28006	0.7
397.99725	0.3
439.28314	0.5
451.28421	0.4
469.29770	0.3
483.27151	0.3
513.28516	100.0
514.28845	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	513.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95015	0.1
59.01363	0.4
61.98825	0.5
65.52423	0.1
71.01374	0.1
72.99309	24.2
73.02943	0.1
73.99646	0.2
83.05043	0.3
85.02954	0.1
87.04536	0.2
101.99612	0.4
114.74986	0.1
123.08142	0.1
136.05330	0.1
249.05406	0.1
285.45947	0.1
347.27554	0.4
363.26904	0.4
365.28458	0.2
373.24927	0.2
375.26978	0.4
377.28366	0.2
391.26376	0.6
393.27905	0.4
419.25992	0.2
439.28580	0.5
451.28897	0.2
467.28351	0.2
469.29288	0.3
483.27469	0.3
513.28528	100.0
514.28882	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	513.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.4
55.32032	0.3
57.03147	2.3
57.03463	15.2
57.84087	0.2
58.03790	0.3
59.01373	2.8
59.47976	0.2
61.98831	3.3
69.29077	0.6
69.29488	1.9
69.65793	0.2
71.01379	2.4
71.05038	0.4
71.18901	0.2
72.99324	0.5
73.02969	0.7
78.95911	0.3
81.03435	0.2
82.67214	0.2
83.01395	0.4
83.05054	1.0
85.02950	7.1
85.03439	0.4
86.03330	0.3
89.02431	1.3
93.03414	0.3
95.05047	0.3
97.02966	0.2
97.06619	0.3
101.02450	1.2
113.02496	0.7
116.13879	0.2
119.03516	0.4
121.02974	0.4
123.08184	0.4
125.02497	0.7
131.03545	0.8
137.02481	0.9
149.04576	0.6
161.04616	0.3
165.02061	0.3
165.12880	0.9
171.10257	0.4
172.10707	0.4
187.70076	0.2
191.05629	0.5
203.07205	0.2
209.11841	1.0
210.12180	1.2
211.12418	0.5
253.15927	0.3
281.75073	0.2
292.84409	0.3
353.24890	0.7
365.28430	1.2
367.30096	0.3
375.27054	0.4
377.28522	0.6
381.23123	0.5
393.28036	0.3
395.29575	0.9
409.27383	0.6
421.27716	0.5
437.26907	1.3
438.27451	0.3
439.28513	30.8
440.28888	6.5
469.29556	0.9
483.27472	38.8
484.27853	7.9
513.28503	100.0
514.28851	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	513.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37156	0.3
59.01376	3.9
61.98835	1.7
69.12135	0.3
71.05016	1.2
71.28657	0.4
78.95920	0.5
80.18275	0.3
83.05051	0.8
125.09698	0.3
127.13538	0.3
127.70596	0.4
225.11104	0.4
251.08257	0.4
273.71124	0.4
275.93796	0.4
278.02448	0.4
344.09421	0.4
353.24918	0.4
393.27966	1.1
409.31021	1.1
423.28644	0.5
439.28003	0.5
441.30096	100.0
442.30423	19.5
453.29852	5.9
454.30328	1.2
513.28827	24.3
513.35419	14.9
514.29218	3.7
514.35724	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	513.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.3
56.17273	0.2
62.26183	0.1
69.50461	1.6
69.50781	0.3
72.99314	18.8
73.99666	0.3
83.05042	0.3
85.02951	0.5
88.35888	0.2
90.43891	0.2
94.53442	0.2
101.99592	0.3
112.33873	0.2
123.08139	0.2
124.52706	0.2
205.46346	0.2
214.41292	0.2
261.79819	0.2
262.29587	0.2
347.27423	0.3
363.26749	0.4
365.28427	0.4
375.26984	0.3
391.26605	1.1
393.28357	1.2
419.26013	0.4
421.27237	0.2
423.29102	1.1
439.28577	0.8
465.26184	0.2
483.27585	1.3
484.27686	0.3
513.28546	100.0
514.28912	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	513.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59298	0.3
61.98851	0.3
70.59126	0.6
70.59521	0.5
72.99312	11.3
75.00861	0.3
85.02937	0.5
101.99583	0.3
159.58211	0.3
198.44150	0.2
229.55716	0.3
245.39175	0.2
273.15771	0.2
276.02435	0.3
298.25668	0.3
316.56534	0.2
349.57166	0.2
359.23737	0.3
361.25412	0.3
363.26987	0.6
365.28516	0.3
391.26471	1.0
393.27945	0.5
411.29013	0.3
423.29099	2.6
424.29523	0.4
439.28452	1.1
465.26627	0.3
483.27466	4.1
484.27728	0.4
513.28540	100.0
514.28900	19.8
537.43427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
59.01380	10.0
60.99305	13.0
61.98831	12.8
64.46449	0.5
65.00341	0.7
68.24966	0.5
69.03465	1.4
69.30853	0.7
69.31257	5.3
71.01379	5.9
73.02942	3.2
74.02439	0.7
75.00885	0.7
76.11863	0.5
78.25056	0.5
78.95911	3.5
79.74152	0.5
81.03446	0.8
83.01395	2.3
83.05035	1.2
85.02967	2.5
87.00852	1.2
87.04527	1.6
88.00410	1.2
88.98813	100.0
89.02452	12.0
89.99147	1.4
93.03456	3.1
94.98091	0.8
95.01398	1.2
96.96023	6.3
96.96970	5.6
97.02949	2.3
97.06596	0.9
98.20595	1.1
99.00890	0.7
99.04533	0.9
101.02464	4.1
107.01375	0.9
109.02972	0.9
111.04507	0.7
112.58971	0.5
113.02446	2.4
117.03461	0.6
119.03487	0.6
121.02947	0.9
123.00852	3.1
123.04556	1.1
123.08190	0.7
124.01685	6.9
125.02469	17.7
125.06062	0.9
125.09677	0.6
126.02797	1.2
131.03531	0.6
134.03697	0.7
135.04446	0.7
135.08192	4.8
137.02458	3.5
137.09740	1.2
139.00366	0.5
145.02921	1.5
149.99603	9.6
151.00394	6.7
151.04016	0.7
151.07631	1.2
153.09186	1.0
154.02740	1.0
155.10808	6.5
157.08714	1.0
160.01711	0.7
161.02455	0.9
161.04520	1.1
161.06003	0.8
163.04025	1.1
167.03442	1.0
168.00659	21.5
169.01425	6.9
169.05048	0.9
175.03957	1.3
179.10709	2.0
180.06593	0.8
183.10263	1.0
187.09723	1.1
199.09677	2.0
201.11317	1.6
205.04991	0.7
211.94569	0.5
217.10825	3.5
222.07561	1.2
225.11363	1.3
231.12265	0.6
243.12204	0.7
246.59607	0.6
259.15448	0.9
267.07452	0.5
271.05988	1.4
289.06879	0.7
295.09900	0.7
307.10245	1.6
313.05670	0.8
323.18655	0.7
323.32230	0.6
351.21603	1.0
372.19540	0.6
387.16544	0.7
419.17603	1.7
437.18729	0.8
443.31323	0.7
453.22968	1.6
469.18906	0.9
481.17529	0.9
495.28717	1.9
513.15637	37.9
513.29858	8.7
514.15845	8.7
514.30219	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	513.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63613	0.3
59.01373	3.8
60.99308	14.2
61.98832	17.5
71.01384	2.4
73.02953	0.9
78.15893	0.3
79.21071	0.3
83.01396	0.3
85.02960	0.8
87.00892	0.6
88.00417	0.6
88.98814	100.0
89.02451	7.7
89.02998	0.5
89.38010	0.3
89.99155	1.0
93.03471	0.3
96.96004	0.4
98.19891	0.5
99.04511	0.6
101.02471	1.7
113.02493	0.7
114.05028	0.3
119.03535	0.4
121.02943	0.4
123.04549	0.3
125.02442	1.0
135.08147	0.5
137.02492	0.4
137.09686	0.3
140.27136	0.3
143.03476	0.3
145.03009	0.4
149.02357	0.3
149.99615	0.5
151.00343	0.4
155.10855	0.3
157.08731	0.6
160.01601	0.3
161.04579	0.4
168.00665	0.8
169.01456	0.6
173.04628	0.5
175.04094	0.5
179.10838	0.8
191.05559	0.4
201.11435	0.3
217.10854	0.4
320.99985	0.3
346.45599	0.2
351.25522	1.4
352.25769	0.3
423.22638	0.3
424.93839	0.3
435.03403	0.3
453.23874	0.4
473.88589	0.3
498.38330	0.3
513.15820	0.7
513.19745	1.0
513.30420	3.4
514.31073	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53205	1.0
55.01867	4.8
56.92242	0.9
57.03433	4.2
59.01378	40.4
60.99300	1.3
61.98829	62.4
67.01905	0.9
69.03443	3.1
69.58897	7.8
70.24815	1.0
71.01386	52.6
72.01708	1.9
72.99300	3.3
73.02949	21.4
75.00857	2.2
78.95910	1.2
81.03471	1.2
83.01390	9.1
85.02959	30.3
87.00885	3.5
88.98824	5.9
89.02458	12.7
93.03448	4.3
94.98079	1.6
95.01411	5.9
96.96019	3.0
96.96964	1.5
97.02959	5.2
99.00913	6.4
99.04512	1.3
101.02452	47.7
109.02959	2.6
111.00874	1.3
113.02456	22.7
119.03543	5.2
119.05038	2.2
121.02949	2.5
123.00888	4.3
123.04563	1.2
124.01685	19.0
125.02470	30.2
127.04018	1.3
137.02547	5.1
143.03452	3.6
145.02957	3.0
149.02451	1.3
149.99597	16.8
151.00340	6.7
151.04027	1.4
151.07619	1.6
152.07254	1.4
155.10770	1.4
159.02971	3.8
161.02510	2.2
161.04572	20.4
163.04012	1.6
167.03508	2.4
168.00659	33.3
169.01343	4.6
173.04536	3.7
175.03995	2.8
177.01938	2.9
179.05600	2.6
179.10750	3.4
189.01962	1.8
190.02686	1.8
191.05602	8.4
193.05064	1.1
194.99251	1.9
205.05080	2.7
216.00612	3.6
217.01379	1.4
229.01390	1.1
231.06679	1.2
258.31891	1.0
271.06180	2.5
289.07446	1.1
291.18109	24.0
292.18497	2.6
307.10153	3.2
310.05035	1.3
311.05597	3.7
326.72000	1.1
351.21548	3.8
419.11237	4.3
453.23401	100.0
454.23767	15.3
477.23196	1.4
495.29684	1.5
504.21143	1.6
513.20325	58.2
513.27411	5.7
514.20947	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	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
59.01380	8.3
60.01669	0.5
61.83688	0.4
61.98830	17.5
69.03458	3.0
69.75707	2.7
70.59742	0.4
71.01051	0.5
71.01385	6.4
71.60355	0.4
73.02930	1.8
75.00865	0.7
78.95889	1.2
81.03446	1.2
83.01371	1.9
83.05010	0.8
85.02940	2.9
87.00862	0.7
87.04510	0.5
88.98804	1.6
89.02460	2.8
91.01864	0.4
93.03473	3.2
95.01394	3.1
96.96029	2.4
96.96950	1.5
97.02959	2.7
97.06591	0.4
99.00895	1.0
99.04532	0.6
101.02454	4.6
107.01394	1.6
108.02213	0.8
109.02939	1.3
111.04541	0.7
113.02448	3.6
117.03456	1.4
119.03479	0.4
119.05028	1.7
121.02959	1.9
123.00893	7.2
123.04506	0.8
124.01678	32.3
125.02466	42.9
126.02796	1.0
127.04084	0.5
129.02023	0.5
133.02953	1.1
134.03688	0.6
135.04475	0.6
137.02457	3.6
137.09610	0.5
141.09254	1.0
145.02963	6.6
146.03685	0.4
148.63501	0.4
149.02466	1.0
149.99602	31.9
151.00403	8.6
155.10841	1.1
160.01718	0.6
161.02475	1.1
161.04547	1.9
163.04016	1.4
165.01892	0.6
167.03529	1.3
168.00656	62.2
169.01421	6.9
171.10185	0.5
173.04570	1.3
175.04048	0.6
175.11320	0.6
176.01114	0.6
177.01952	4.3
179.03581	0.9
179.10785	0.9
188.01172	0.5
189.01921	3.2
189.09326	0.6
190.02707	1.2
191.05614	1.7
192.06183	0.4
193.01427	0.6
199.13522	0.9
201.01866	0.6
201.11356	0.6
205.05080	1.0
205.12355	1.3
209.11736	0.4
216.00629	5.0
217.01439	4.8
229.01486	1.9
241.05119	1.3
241.08698	0.7
242.02339	1.1
269.04541	0.9
271.06155	3.1
281.04614	0.5
283.06152	1.8
291.18311	0.7
307.08313	1.5
311.05542	3.6
312.06061	0.7
313.05765	1.0
323.05606	0.9
331.22925	0.7
351.21729	1.0
351.25635	2.5
419.11371	7.2
420.11942	1.2
450.15103	0.7
453.23428	5.2
495.29373	0.5
504.71506	0.5
513.20099	100.0
514.20648	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	513.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59666	0.9
55.34067	0.6
57.03444	2.0
58.00589	0.9
59.01378	44.0
61.98828	25.7
69.39771	5.6
69.40182	1.5
71.01383	30.1
72.99310	2.5
73.02950	2.7
73.86105	0.7
75.00873	2.5
75.09581	0.8
78.95918	3.3
80.05074	1.9
82.86591	0.7
83.01409	2.9
85.02959	9.0
87.00890	6.5
89.02455	20.9
92.05059	1.0
93.03471	0.8
94.06644	1.3
95.01410	2.4
99.00917	3.1
101.02447	18.0
108.04557	2.9
113.02463	10.9
113.99624	1.9
115.00432	0.9
119.03514	9.7
120.04614	1.0
121.02884	1.0
121.05369	6.0
122.06142	11.9
123.03300	1.3
124.04086	1.4
125.02461	1.1
125.06072	0.9
129.01970	1.5
134.03772	1.3
136.04065	1.8
136.07719	2.8
138.05606	5.2
140.07257	1.5
143.03523	1.8
148.04086	3.0
149.04822	2.9
150.05579	5.0
153.01996	1.0
159.06966	1.8
161.04662	2.6
165.04292	3.8
166.05116	5.6
172.07698	1.2
172.11227	0.8
173.08427	2.4
174.01753	1.8
174.05519	0.9
174.09264	1.0
174.12909	2.7
177.04137	1.6
179.05667	2.6
182.74745	0.9
184.11278	5.1
187.09949	1.5
188.07132	4.2
189.08002	2.0
193.05064	1.0
200.10806	1.0
202.08868	1.0
202.12358	9.0
204.06676	5.8
204.10425	1.8
213.06645	1.8
216.06699	5.8
216.08940	2.1
217.07474	4.2
217.10864	0.8
218.08078	1.2
218.11736	1.0
227.08359	1.8
227.11774	0.9
228.10312	2.9
229.09781	7.6
231.09052	3.0
231.11356	27.9
232.11716	2.4
238.07491	1.5
242.06923	1.0
242.10988	0.9
243.11443	1.8
245.10461	0.8
246.11356	9.9
247.11298	1.0
253.09769	3.5
256.08298	0.8
270.10159	2.7
270.27936	0.9
271.10855	31.7
272.11392	3.8
277.05740	3.0
289.12057	0.9
311.10352	0.8
313.11179	0.8
328.10403	2.1
337.07809	7.0
344.48282	0.8
346.11487	4.7
372.09290	1.4
374.10931	1.0
390.10571	2.3
397.13654	6.4
408.16916	1.7
411.15851	0.9
426.17633	3.8
433.16397	2.7
451.17184	30.2
452.17450	4.5
453.20016	1.6
469.18332	8.3
470.17902	1.2
495.16101	8.6
496.17099	0.9
513.17474	100.0
514.17841	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	513.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
56.79897	0.7
57.03454	1.7
57.71593	0.7
58.00610	1.4
59.01375	38.3
61.98827	27.9
69.34141	4.1
69.34564	2.7
71.01381	24.6
72.99318	2.3
73.02946	1.8
75.00871	2.7
78.95908	0.9
80.05042	1.5
83.01385	2.3
84.99898	0.7
85.02949	7.5
85.75756	0.7
87.00872	5.1
89.02452	18.9
95.01388	2.1
96.96022	2.0
96.96998	2.7
98.87715	0.8
99.00888	2.6
101.02448	15.1
106.06629	0.8
108.04600	1.9
109.02942	1.0
112.65429	0.7
113.02452	8.7
113.99504	1.0
119.03529	8.1
120.04599	1.2
121.05399	4.7
122.06133	9.5
123.03300	1.0
125.02432	0.7
127.65279	0.7
129.01933	1.3
134.03758	0.9
136.04129	1.8
136.07675	1.8
138.05608	5.1
148.04083	3.2
149.04774	2.2
150.05618	4.3
158.06122	1.2
160.04112	0.9
161.02473	1.1
161.04555	1.5
163.04050	0.8
164.07204	0.9
165.04356	3.5
166.05116	4.1
173.08412	2.1
174.01701	0.7
174.12936	2.1
175.06454	0.7
177.03973	1.0
184.11301	4.6
186.09259	1.1
187.10027	0.9
188.07225	3.0
189.05626	0.8
189.07910	1.4
193.05161	1.9
202.08853	1.4
202.12419	7.3
203.12796	0.9
204.06583	4.8
204.10220	0.9
213.06747	1.5
216.06667	4.2
216.08813	1.5
217.07425	5.1
218.08197	1.7
218.11993	0.8
227.08305	1.4
228.10349	2.9
229.09792	7.9
230.08205	1.0
231.09038	2.4
231.11343	21.8
232.11671	1.1
243.11453	2.3
246.11343	9.2
253.09866	3.7
255.11385	1.5
270.10162	3.3
271.10849	27.9
272.11359	3.3
277.05713	2.8
289.11902	1.0
328.10349	1.8
337.07822	4.5
346.11456	3.0
372.09384	1.3
390.10522	2.3
397.13892	4.3
408.16626	1.8
426.17917	2.7
433.16113	2.6
451.17227	28.3
452.17557	3.5
469.18433	7.4
470.18063	1.7
495.16183	7.2
496.16696	1.4
513.17413	100.0
514.11334	1.1
514.17786	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	513.161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14690	0.5
59.01370	1.2
61.98826	0.7
68.32063	0.5
68.57972	0.5
69.03445	1.8
69.49274	4.5
71.01364	1.0
72.99323	0.5
73.02944	0.8
74.79547	0.4
75.35081	0.5
81.03429	0.7
81.50291	0.5
83.01379	0.9
85.02985	0.7
85.64532	0.5
87.04524	0.6
90.55653	0.5
95.01387	1.2
97.02969	2.5
107.01398	0.7
109.03004	0.8
110.58408	0.6
123.00912	4.9
123.04483	0.5
124.01683	15.5
125.02464	30.9
126.02776	1.1
135.08087	0.6
137.02429	2.0
137.09729	1.5
149.99599	22.1
151.00252	2.2
155.10796	6.9
167.03407	0.9
168.00652	50.2
169.01434	7.1
179.03395	0.6
179.10754	0.7
191.10791	0.7
199.09740	1.7
220.08226	0.6
239.25806	0.6
269.06772	0.5
289.10825	0.7
307.11810	1.5
313.05475	0.7
319.11145	0.5
451.15515	0.7
453.23175	0.9
469.17136	0.9
513.16083	100.0
514.16431	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	513.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.98827	12.6
63.02392	1.0
65.00318	9.0
66.00648	0.4
69.03451	0.5
69.54220	2.4
71.01392	1.4
73.02940	0.7
75.00843	0.4
76.31010	0.5
80.95629	0.4
81.03459	1.3
81.27212	0.4
83.01381	7.6
85.02964	0.8
87.04530	0.5
88.98814	0.5
89.02452	0.9
91.05199	0.4
93.03458	0.7
94.98122	0.3
95.01385	0.5
96.96008	0.8
96.96970	0.5
97.02960	1.1
98.19890	0.7
99.00886	0.5
99.92556	0.4
101.02477	0.7
107.01398	14.7
108.02238	0.6
109.02969	1.6
113.02442	0.6
115.92096	0.9
117.03488	1.0
119.04985	0.4
121.02959	0.9
123.04517	0.5
124.01688	2.5
125.02457	42.1
126.02808	1.4
131.01329	0.5
133.02939	0.5
135.04521	1.9
136.04868	1.3
137.02457	1.4
137.09729	0.8
139.04015	0.8
145.02962	4.5
146.03400	0.3
149.02467	1.5
149.06100	0.4
149.99586	1.1
151.00377	100.0
152.00693	7.0
153.01935	1.1
153.09258	0.3
155.10789	2.6
160.01642	1.1
161.02391	0.8
161.04590	0.4
163.04036	1.3
165.01962	0.9
167.03520	1.2
168.00647	3.2
169.01431	76.9
170.01752	2.7
175.00421	2.4
175.04033	0.8
193.01428	4.5
193.05106	0.4
199.09709	0.6
211.02547	0.6
235.02449	0.8
241.10823	0.4
273.14896	0.6
287.05652	1.2
288.05978	3.1
313.05634	0.4
342.53943	0.4
450.11136	4.0
450.67194	0.3
451.11365	0.6
453.21310	1.3
457.08191	0.4
469.17438	1.0
513.16058	82.4
513.23047	6.6
514.16376	13.1
514.23151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81552	0.2
57.03438	0.2
59.01374	2.8
60.37820	0.2
61.98830	100.0
62.98529	0.3
62.99234	0.2
63.99253	0.7
71.01385	1.3
71.65342	0.3
72.99314	0.3
73.02950	0.3
75.00877	2.6
83.01414	0.3
85.02960	0.6
87.00872	0.6
88.98771	0.2
89.02469	0.8
93.03487	0.4
97.06682	0.2
99.00900	0.3
101.02456	0.6
111.05929	0.2
113.02499	0.5
113.99580	0.2
115.00387	0.3
115.04047	0.2
119.05038	0.3
125.02467	0.5
129.01982	0.3
131.63156	0.2
133.01451	0.2
134.03737	0.4
135.04558	0.6
136.07715	0.2
137.02434	0.3
137.09750	0.2
138.10153	0.2
145.03003	0.8
153.02003	0.2
155.10797	2.7
156.11148	1.4
160.04047	1.5
161.02528	0.3
161.04565	0.2
163.03999	0.2
173.04482	0.2
174.01724	0.3
177.04161	0.7
179.03506	0.5
186.04179	0.3
189.05594	2.0
191.05713	0.3
193.05052	0.3
195.05026	0.3
199.09839	1.1
200.10210	0.7
216.06813	0.2
226.20982	0.2
231.11418	0.3
259.06024	0.2
271.10953	0.4
277.05621	0.9
289.07056	0.2
307.08594	0.3
337.07645	1.3
351.09314	0.3
363.16736	0.5
364.16910	1.5
365.14465	0.3
401.44553	0.2
451.17447	0.5
468.13281	0.2
474.61307	0.2
495.16510	0.2
511.31363	1.3
512.13837	0.4
512.20868	1.7
512.31354	1.1
513.12695	2.5
513.19598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
59.15465	0.1
60.65727	0.1
61.98830	100.0
62.98537	0.2
71.01385	0.3
73.02929	0.2
75.00893	0.5
85.02954	0.2
89.02477	0.2
99.00870	0.1
101.02523	0.1
113.02480	0.2
122.06157	0.1
125.02477	0.3
134.03772	0.2
145.02975	0.1
155.10904	0.2
160.04057	0.3
188.77534	0.1
231.11366	0.1
271.10880	0.2
287.05817	0.2
298.68591	0.1
314.35034	0.2
337.07892	0.2
364.17465	0.2
379.50549	0.1
451.17487	0.2
497.87653	0.2
511.31461	0.3
512.31873	0.5
513.17780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01379	2.1
61.98830	100.0
62.99310	0.1
71.01380	1.0
72.99323	0.2
73.02949	0.5
78.95897	0.2
79.95736	0.2
83.01392	0.1
83.05040	0.2
85.02972	0.4
85.05630	0.1
87.00900	0.2
89.02466	0.3
93.03479	0.9
95.01449	0.2
98.19827	0.3
101.02462	0.7
111.00948	0.1
113.02457	0.4
117.03486	0.2
119.05056	0.3
121.02966	0.3
123.04570	0.2
124.01670	0.2
125.02435	0.7
133.02928	0.2
134.03775	0.2
135.04547	0.8
137.02489	0.7
139.04118	0.1
140.68262	0.2
145.02985	0.8
151.00385	0.4
151.04076	0.3
160.01691	0.2
161.02475	0.2
161.04938	0.1
164.01178	0.1
165.02017	0.2
168.00674	0.3
173.04559	1.4
177.01976	0.3
179.03592	0.3
184.25626	0.1
191.05713	0.7
191.07159	0.1
199.33507	0.1
201.11317	0.2
209.11942	0.2
242.92018	0.1
271.06097	0.4
291.19434	0.2
308.08896	0.3
351.21692	0.2
352.08038	0.6
449.14789	0.4
477.21533	0.2
512.20618	0.1
512.27130	1.4
513.15729	0.4
513.27710	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96876	0.3
55.01889	0.6
57.03450	1.2
57.10994	0.4
58.65826	0.4
59.01380	4.6
60.99308	1.7
61.58408	0.4
61.98828	4.4
62.42259	0.4
68.99826	3.5
69.03452	1.0
69.52178	3.3
69.93682	0.4
70.81462	0.4
71.01387	5.4
72.99306	1.1
73.02948	1.6
75.00871	3.3
78.95903	0.7
81.03450	0.5
83.01406	2.4
85.02959	8.3
87.00881	3.3
88.98815	9.2
89.02466	2.5
91.76245	0.4
93.03469	1.0
95.01403	1.4
96.96021	0.5
97.02962	1.3
99.00894	6.7
99.04546	0.5
101.02466	3.0
106.44222	0.4
108.02178	0.9
109.02981	1.6
111.00894	3.4
113.02464	7.4
113.99602	18.2
115.00399	9.3
117.01978	0.5
117.03497	1.5
119.04994	0.5
121.02969	0.6
123.04513	0.6
125.02424	1.9
127.00391	2.9
129.01967	3.7
134.03761	17.9
135.04227	0.7
137.02443	0.7
139.00391	1.8
141.01964	0.9
145.03020	0.4
146.08264	0.7
149.06125	1.4
150.03391	0.4
151.00333	0.4
151.03984	0.7
152.01187	0.8
153.02008	0.6
155.10838	0.8
157.01422	5.1
160.01707	1.3
160.04028	0.5
161.02533	0.8
163.04041	0.5
169.01440	2.1
174.01706	19.5
175.02452	2.1
175.04008	1.5
176.04732	0.5
177.04094	0.8
178.02669	0.7
193.05064	10.2
194.05444	0.6
195.05144	1.4
235.06100	0.8
250.39522	0.4
267.10443	0.4
277.05652	34.6
278.06009	2.5
289.07147	1.3
319.06671	0.6
331.34534	0.4
337.07758	68.7
338.08032	5.7
348.14502	0.4
387.28259	0.4
423.32422	0.4
453.10449	4.5
466.83670	0.4
513.12433	100.0
514.12750	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	512.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61506	0.4
59.01384	2.4
61.98829	100.0
63.02402	1.1
64.45466	0.3
65.00321	7.3
65.23096	0.3
69.54398	1.9
69.54821	0.9
71.01378	2.1
73.02949	1.0
75.00869	0.7
81.03456	0.9
83.01398	5.5
83.05035	0.4
85.02956	1.1
87.00868	0.5
89.02439	0.9
93.03452	0.8
94.98091	0.4
97.02961	0.5
99.00874	0.6
101.02449	1.0
107.01404	13.7
108.02224	0.7
109.02968	1.6
113.02434	0.9
117.03475	0.7
119.05031	1.1
121.02958	0.9
123.00882	0.6
123.04537	1.0
124.01700	0.8
125.02460	21.1
126.02779	0.6
133.03015	0.4
135.04536	30.0
136.04857	1.5
137.02469	1.4
137.09734	0.9
139.03993	1.6
140.04405	0.5
141.01797	0.4
145.02980	3.1
146.03339	0.7
149.02396	0.6
149.99602	0.9
151.00386	93.3
152.00734	2.8
153.01968	0.8
155.10808	4.1
160.01686	0.7
161.02470	1.5
161.04576	0.6
163.03998	0.8
165.04282	0.3
167.03502	0.7
168.00601	1.8
169.01439	32.2
174.01967	0.5
175.00424	1.5
175.03972	0.4
177.02045	0.4
177.03952	0.4
179.10768	0.4
191.05499	0.4
193.01389	2.2
199.09644	0.9
207.06085	0.4
211.02350	0.4
235.02324	0.5
245.09171	0.6
269.04657	0.4
279.95248	0.4
287.05600	37.0
288.05954	3.3
297.08963	0.8
298.09503	0.4
387.12070	0.4
395.32321	0.4
418.17346	0.6
430.66879	0.3
431.63861	0.4
436.18634	1.1
449.10861	42.0
449.19946	6.6
450.11261	5.5
450.20648	0.8
453.21350	0.6
469.17929	0.8
480.17941	1.1
512.13794	0.6
512.21661	1.6
513.15973	42.9
513.22729	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	511.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72269	0.2
57.03445	0.5
59.01384	1.7
61.98828	3.9
69.38298	1.6
69.38724	1.1
71.01373	0.6
71.05026	0.4
75.00871	0.6
77.76340	0.2
78.35348	0.2
78.70187	0.2
78.95908	0.4
80.02679	1.5
81.03465	1.2
83.01362	0.3
83.05027	5.0
84.02176	0.9
84.05343	0.3
85.02961	0.3
91.04021	0.2
93.03469	0.6
95.05028	0.9
107.05042	0.4
109.06628	0.6
111.04485	0.3
119.04871	0.2
123.08163	0.6
125.02518	0.3
125.06094	0.5
125.09744	1.6
127.11240	0.3
135.03000	1.4
135.08180	1.3
147.11797	0.3
149.09723	0.8
153.12836	0.3
163.11275	3.6
165.12860	2.4
171.10284	20.3
172.10631	0.9
181.12408	0.3
185.11835	1.0
191.10796	0.9
207.10344	0.4
209.11835	100.0
210.12166	8.0
221.11850	0.7
223.13412	1.1
225.11372	0.3
227.12898	10.4
228.13173	0.6
229.12251	0.5
231.13966	0.4
237.14905	0.3
247.13387	5.4
248.13553	0.4
249.14983	0.3
265.14465	2.1
268.99390	0.3
276.07977	0.3
286.67102	0.3
293.11810	1.6
305.11877	0.8
321.17096	0.5
333.11349	0.5
337.14413	2.4
339.18179	0.3
349.14508	0.9
357.20779	0.3
365.13980	0.6
375.21597	0.8
375.25711	0.9
377.13956	1.2
391.25070	0.5
393.13315	0.5
401.23260	1.0
419.24377	0.8
431.24261	0.7
448.10010	0.3
449.25385	2.1
457.26190	0.5
467.17111	0.5
467.26730	0.3
475.27087	2.7
476.27640	0.3
492.10233	0.3
493.28064	1.9
494.28305	0.4
511.16043	6.1
511.29138	2.3
512.16315	1.2
512.28638	0.3
527.84167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98827	100.0
62.98516	0.3
65.00333	0.6
81.62876	0.2
83.01400	0.3
89.02480	0.2
107.01395	1.3
109.02989	0.7
109.91306	0.2
125.02492	0.6
132.39374	0.3
135.04543	6.8
135.05528	0.5
136.04929	0.4
151.00388	11.4
152.01088	0.8
153.01863	0.3
161.02490	0.3
175.00386	0.7
177.32858	0.2
191.05576	0.4
193.01462	0.4
199.55717	0.2
236.76027	0.2
272.69574	0.2
287.05594	24.0
288.05920	2.3
293.28729	0.2
428.53479	0.3
449.10770	2.9
450.11295	0.6
513.15826	1.1
538.31299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14613	0.3
59.01377	5.0
61.98830	2.9
68.40921	0.3
69.03433	0.3
69.55080	2.1
71.01380	2.9
72.99307	0.6
73.02946	2.6
75.00877	3.5
85.02969	1.0
87.00890	0.7
89.02452	1.0
90.10923	0.4
93.03449	0.6
99.00881	0.6
101.02454	1.4
105.01939	1.4
108.02192	0.3
109.03017	0.4
113.02437	0.8
117.03482	1.4
119.03538	0.4
119.05018	1.1
125.02492	0.4
132.04616	0.6
135.08180	0.9
137.02472	0.6
137.09734	6.5
138.10114	0.4
145.02972	7.4
147.03046	0.7
151.19608	0.3
153.01971	0.4
155.10796	100.0
156.11128	5.7
159.03262	1.8
160.01871	0.6
160.04057	15.9
161.04608	0.4
163.04051	0.8
175.04018	0.5
177.04140	0.4
181.07179	1.1
181.08699	0.4
186.04115	0.7
191.05649	0.5
193.05034	0.3
199.09763	43.2
200.10109	3.1
204.03030	0.7
238.25589	0.3
255.47472	0.4
307.08246	2.6
319.17136	0.3
322.09216	0.5
332.67007	0.3
363.16608	43.1
364.16959	4.3
468.13080	2.7
481.53290	0.4
511.20267	38.5
511.30716	1.9
512.12030	4.3
512.20575	5.1
531.29034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74445	0.8
55.01877	5.0
55.98518	0.7
57.03447	3.4
57.17736	0.7
58.00572	1.6
59.01379	46.0
61.98830	23.5
68.99812	1.0
69.03448	2.2
69.66070	5.0
69.66488	2.2
71.01384	56.8
71.05019	3.7
72.99310	3.4
73.02951	17.5
73.70275	0.8
75.00880	4.1
81.03480	1.4
83.01399	10.3
85.02957	23.7
86.03297	1.1
87.00905	5.0
89.02455	24.9
93.03463	7.9
95.01409	4.9
95.05036	2.6
96.10339	0.8
97.02959	14.0
99.00894	6.3
101.02453	49.6
102.02805	1.0
108.02190	1.1
109.02934	1.1
111.00888	1.7
111.04529	1.6
113.02464	25.2
115.04106	1.0
117.03496	5.6
119.03506	8.7
119.05038	7.1
121.02961	2.3
123.04535	1.1
125.02496	5.7
129.01978	1.7
131.03523	3.3
132.02222	1.3
133.02969	6.1
134.03754	2.6
135.04541	1.8
137.02475	10.9
139.04028	50.9
140.04390	1.6
143.03502	4.2
145.02966	21.0
149.04604	1.1
149.06099	1.0
149.99551	2.0
151.00377	2.7
151.04033	1.5
151.51233	1.0
152.01173	0.9
155.10742	1.7
159.02986	4.1
160.01695	6.1
161.02492	18.0
161.04576	23.4
161.05943	1.3
162.02824	1.9
163.04066	6.6
163.06140	1.9
165.01938	17.3
166.02258	0.9
168.00595	2.6
169.01323	1.0
170.01164	1.1
174.52937	1.0
175.04050	9.9
177.04115	1.9
177.05524	1.4
179.03615	1.4
179.05621	9.0
179.10741	1.2
181.07188	3.0
183.03006	2.0
183.10240	1.2
185.07700	0.8
185.11899	1.0
193.05046	2.2
199.09694	1.4
205.05048	1.4
221.06699	2.8
236.07930	3.5
271.06244	2.2
289.16595	15.3
294.86905	1.1
325.11441	6.7
328.06839	0.9
337.09262	4.5
343.12497	3.6
348.13126	1.4
385.13489	4.1
419.69717	1.0
448.09509	1.1
451.21835	100.0
452.22202	13.1
475.12219	2.9
511.12769	2.9
511.21329	22.3
512.21552	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	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12772	0.3
56.92368	0.3
59.01390	1.1
61.98831	4.0
64.96956	0.3
65.84737	0.3
66.18449	0.3
68.57579	0.3
71.01398	0.9
71.17657	0.7
71.37547	0.4
75.00880	0.6
85.02963	0.5
89.02473	0.4
101.02460	0.4
103.31499	0.4
104.32398	0.3
105.01966	1.1
113.02499	0.4
130.63651	0.3
136.01662	3.5
141.05510	0.4
149.02475	0.8
151.04025	3.8
161.02467	0.6
163.04019	0.4
164.04778	0.9
167.03513	0.7
177.04047	0.4
195.05061	0.4
197.08202	0.6
199.04073	0.9
200.04785	2.2
210.03252	0.6
211.04019	1.1
227.03508	1.9
228.04277	7.8
229.04564	0.6
239.03410	0.8
240.04105	0.4
243.06573	2.8
256.03751	11.5
257.04269	0.7
271.06091	62.2
272.06436	6.2
286.08453	42.5
287.08749	4.4
301.10794	100.0
302.11136	10.7
302.14551	0.7
311.85779	0.3
313.09128	0.4
349.12918	31.1
350.13275	3.8
511.16638	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
59.01375	4.3
61.98521	0.7
61.98828	10.2
71.01381	3.0
72.99280	0.4
73.02943	3.5
75.00874	6.5
83.01400	0.4
85.02960	1.5
87.00883	1.4
88.98808	0.4
89.02443	1.7
90.42357	0.3
91.08027	0.3
98.20636	0.9
99.00882	0.8
100.55104	0.3
101.02441	1.5
102.82686	0.3
104.71152	0.3
107.90902	0.3
113.02465	1.0
117.03496	0.5
119.03534	0.4
119.05035	0.4
129.01920	0.5
135.08237	0.3
137.09727	5.7
145.02959	3.1
147.03003	0.7
155.10786	100.0
156.11104	5.0
159.03221	0.6
160.04042	3.3
164.03528	0.6
171.10257	0.4
177.04153	0.6
179.05588	0.7
181.07167	1.0
181.08710	0.5
186.04153	0.4
187.09760	0.4
193.71089	0.3
199.09761	47.7
200.10074	2.9
205.04932	0.3
246.88602	0.3
287.10486	0.8
306.96091	0.3
307.08224	0.6
331.09158	0.5
349.18655	0.5
363.16577	46.7
364.16898	5.1
398.05151	0.3
451.25629	0.4
468.13223	0.5
473.16721	1.4
511.20197	44.7
511.30820	4.9
512.12708	0.7
512.20605	6.6
512.31409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57870	0.6
55.01871	1.4
55.60644	0.5
57.03451	2.5
58.00595	1.4
59.01378	10.9
60.25031	0.5
61.71286	0.5
61.98826	2.5
67.18076	0.5
68.99815	0.7
69.03460	1.5
69.44224	4.7
71.01382	7.8
71.05028	1.4
72.99308	1.1
73.02950	5.7
77.09382	0.6
81.03472	1.1
83.01393	2.0
83.05032	1.5
85.02958	7.5
87.00883	1.2
87.04522	20.2
87.97868	0.5
88.04881	0.5
88.98821	1.2
93.03468	1.2
95.01414	1.2
95.05037	0.6
97.02974	3.2
97.06617	1.0
98.20708	0.7
99.00883	1.3
99.04540	4.3
101.02445	3.4
104.27953	0.5
107.05069	0.8
108.02193	8.4
108.28294	0.6
109.02986	7.2
109.06596	1.3
111.04536	0.9
111.08173	1.3
111.68767	0.6
113.02477	3.5
113.03208	0.7
117.43266	0.5
119.05032	0.9
120.85833	0.5
121.02935	1.1
122.03755	25.4
123.04543	39.4
123.08156	0.8
124.04869	2.1
125.02499	3.4
125.06104	2.2
127.07707	1.0
135.08197	3.9
137.02469	4.8
137.06122	1.1
137.09735	20.1
138.03714	0.5
138.10048	0.6
139.07681	4.1
139.11285	1.4
141.09198	1.2
145.02968	2.5
149.02490	1.5
149.06102	0.7
149.09723	1.0
151.11304	2.2
155.10796	100.0
156.11134	5.5
161.02455	1.6
161.09685	0.7
163.04062	0.8
163.07635	0.7
163.11293	2.0
165.05568	0.7
165.09221	0.9
166.31943	0.6
167.10791	1.7
168.00652	1.4
169.12363	4.1
177.09207	1.8
179.10770	7.9
180.11041	0.8
181.08717	7.9
182.09088	0.6
191.10822	4.8
192.11171	0.7
193.08795	0.8
193.12401	1.3
195.10266	4.9
197.11708	0.6
199.09769	39.5
199.13458	2.0
200.10139	2.4
213.11295	2.8
223.09753	2.2
225.11301	2.0
227.12849	1.3
231.19878	0.6
234.87245	0.6
237.11420	1.1
241.10826	8.8
245.07376	0.5
253.10806	2.8
255.12370	4.2
283.11865	16.0
284.12244	1.7
300.02805	1.2
343.14044	2.6
374.72006	0.5
441.89029	0.6
448.09985	0.9
451.22000	0.8
467.19214	82.8
468.19537	12.8
475.08780	1.5
493.17087	2.9
494.16949	0.6
511.18207	91.8
512.18536	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	511.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.77959	0.4
59.01377	7.9
61.11924	0.5
61.98826	18.1
69.03119	0.4
69.03458	3.9
69.45545	0.7
69.45959	3.5
71.01379	6.2
72.99292	0.9
73.02911	2.0
75.00851	1.3
79.01826	0.6
81.03414	0.7
83.01376	2.6
85.02953	3.9
87.00844	1.1
87.04483	1.7
88.98766	2.2
89.02443	3.1
91.01897	5.6
93.03472	2.8
95.01354	2.1
95.05006	0.8
96.95985	0.8
97.02457	0.4
97.02959	4.5
97.06553	0.7
98.19927	1.1
99.00853	0.9
99.04501	0.8
101.02451	3.3
107.01352	1.9
107.04990	0.6
108.02174	5.5
109.02963	3.1
113.02457	3.7
117.03481	3.4
119.03490	1.3
119.05013	2.6
121.02967	3.3
122.03700	0.9
123.00875	7.7
123.03759	0.6
123.04535	8.0
123.08115	0.6
124.01677	19.6
125.02460	54.3
126.02750	1.8
129.01874	0.5
132.02109	1.7
133.02931	0.8
133.06560	0.5
134.03796	2.3
135.00903	3.0
135.04460	1.0
135.08115	1.1
136.01617	1.0
137.01442	0.6
137.02435	5.7
137.09669	1.9
139.04008	1.0
141.09178	0.6
143.03384	0.5
145.02959	12.1
146.03192	0.6
147.04477	0.6
149.02402	1.4
149.04472	0.6
149.06088	0.7
149.99594	23.6
151.00179	2.8
151.03929	1.2
152.01176	8.9
153.01956	5.7
153.09242	3.3
155.10783	6.9
160.00508	0.6
160.01666	9.3
161.02473	3.6
161.04454	1.1
161.05946	0.7
163.04016	2.7
164.04352	0.6
165.01860	0.8
167.03503	21.5
168.00648	58.3
169.01402	6.6
173.04466	1.1
175.04004	10.4
177.05484	0.9
177.09192	0.7
178.02625	1.1
178.98460	0.5
178.99855	6.3
179.03432	1.1
179.05637	0.5
179.10669	1.2
187.03868	0.7
191.03523	0.8
191.05464	1.3
191.10547	0.7
193.05069	2.3
199.09747	6.3
200.09962	0.6
205.04915	0.9
211.02419	0.7
211.07506	1.9
235.05980	0.6
241.10701	1.7
255.02974	0.6
255.12215	0.6
256.98029	0.5
261.11096	1.3
271.02328	0.5
271.05966	1.6
283.11734	3.1
289.06891	0.9
300.02487	1.3
307.07880	0.6
313.05457	1.4
326.13077	0.6
331.06763	2.3
343.13617	0.9
349.18634	1.5
435.17072	0.6
449.13968	1.2
451.28613	0.8
467.19528	3.4
475.08551	1.4
475.15942	11.1
476.15894	2.1
493.16614	1.6
511.14175	100.0
512.14337	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	511.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
57.03465	1.4
57.86497	0.5
59.01378	87.8
60.01716	1.4
61.98831	7.5
66.22186	0.6
69.96786	0.5
71.01384	6.2
71.04575	0.5
71.59285	0.9
72.00930	0.6
72.99311	1.2
73.02931	3.9
75.00880	9.8
82.25856	0.6
85.02962	2.0
87.00880	1.9
88.98846	0.7
89.02474	2.2
93.03494	1.1
98.02485	6.3
99.00883	1.5
100.00414	3.0
101.02480	2.7
103.00376	1.5
105.01919	1.1
107.05045	0.6
109.02956	1.2
111.04545	0.7
113.02470	2.2
117.03497	2.1
119.03509	1.1
119.05044	1.5
121.03014	0.6
123.04524	0.6
125.02455	1.6
131.03558	0.9
131.07120	0.7
134.03773	1.0
135.04517	1.9
135.08208	0.6
137.02463	1.1
137.09738	5.7
142.01530	1.3
143.03487	0.8
144.03047	2.5
145.02979	8.2
148.06339	4.5
152.01111	0.8
153.01932	0.7
154.99925	0.7
155.10797	100.0
156.11131	4.7
159.03262	2.9
160.01840	1.1
160.04051	18.7
161.02441	0.6
161.04562	1.1
163.04054	0.9
165.05615	0.7
173.04630	0.7
175.03934	1.0
177.04103	0.9
181.07193	1.4
186.04088	17.7
187.04266	0.6
187.09735	0.6
191.05634	0.9
193.04993	1.0
199.09766	41.7
200.10065	3.3
203.92284	0.5
204.02992	0.7
285.22815	0.7
307.08344	2.8
343.12723	0.6
347.17038	0.9
348.23566	0.6
349.09174	0.8
363.16586	42.4
364.16989	4.4
372.50882	0.6
430.16513	0.6
451.26010	1.1
468.13031	2.3
473.16418	0.7
511.20184	40.9
511.30972	7.3
512.11987	6.3
512.20490	5.7
512.31512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98830	14.7
65.00302	0.9
69.30933	1.9
69.31339	6.2
69.84552	0.9
83.01405	0.7
107.01398	1.8
108.02190	1.4
109.02985	1.4
116.67418	0.8
121.02974	2.7
132.65033	0.7
139.00430	1.2
151.00406	11.5
152.00623	0.8
161.02544	1.0
161.05971	0.8
163.00389	2.5
167.05034	0.9
178.99930	3.9
182.43857	0.8
192.60600	0.8
211.03944	1.3
227.03514	2.0
229.05028	1.4
238.68922	0.7
243.02945	6.3
245.04521	1.6
254.02196	1.4
255.02971	18.5
256.03357	1.1
271.02448	31.2
272.02863	3.3
273.04019	1.0
277.14899	0.7
283.02362	1.1
300.02744	66.4
301.03510	49.1
301.06232	0.7
302.03836	3.2
388.09747	0.8
447.09302	100.0
448.09610	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	510.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01379	3.0
60.99305	0.2
61.98831	100.0
62.98545	0.2
69.03469	0.1
69.41965	1.4
71.01390	1.0
72.99324	0.3
73.02937	0.7
75.00877	2.1
82.03010	0.4
85.02966	0.6
87.00903	0.4
87.04531	0.2
89.02470	0.5
93.03487	0.3
93.30025	0.1
95.01416	0.1
97.06589	0.8
99.00934	0.3
99.04569	0.2
101.02475	0.7
102.21138	0.1
111.04526	0.1
113.02476	0.6
119.05047	0.1
121.02968	0.2
122.06152	0.2
125.02460	0.3
129.02020	0.2
137.02469	0.4
137.09753	0.5
138.05634	0.2
141.05630	0.4
145.35541	0.2
150.91408	0.1
155.10786	5.9
164.03586	0.4
173.04633	0.2
177.04103	0.3
186.04152	0.2
194.04587	0.1
195.05145	0.3
199.09764	3.2
287.10361	1.0
331.09430	0.5
363.12112	0.7
363.16739	2.3
510.18997	2.9
511.20245	3.8
511.31073	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	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.18901	0.1
61.85978	0.1
61.98830	100.0
62.98531	0.3
69.39659	1.4
71.01391	0.2
72.87979	0.1
89.02432	0.2
129.59549	0.2
197.06761	0.1
225.32436	0.2
241.01169	0.2
434.17416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
57.11050	0.1
58.00593	0.1
59.01382	1.5
61.98830	100.0
62.98540	0.2
64.98552	0.1
69.03456	0.2
71.01388	1.0
72.01693	0.2
72.99321	0.3
73.02951	0.3
73.08923	0.1
75.00877	0.2
77.39529	0.1
78.95916	0.1
78.96922	0.1
79.64073	0.1
82.58225	0.1
83.01406	0.2
83.04384	0.1
85.02962	0.4
87.00909	0.3
88.98801	0.3
89.02465	0.4
89.92931	0.1
90.02789	0.1
93.03488	0.5
95.01424	0.1
99.00901	0.2
101.02479	0.6
109.02970	0.2
113.02478	0.4
117.03475	0.7
118.03838	0.2
119.03487	0.1
119.05055	0.7
120.05412	0.2
121.02968	0.3
121.56871	0.1
123.04578	0.2
124.01640	0.1
124.52549	0.1
125.02477	1.0
131.03551	0.2
133.02965	1.4
134.03801	0.2
135.04559	0.6
137.02458	0.9
145.02977	2.0
146.03326	1.0
149.99620	0.4
150.06973	0.2
151.00423	0.6
153.01979	0.2
155.10844	0.2
160.01669	0.2
161.02466	5.0
161.04578	0.2
163.04091	0.5
167.03546	0.3
168.00685	0.9
173.04716	0.2
175.04091	0.3
178.99876	0.2
179.03554	0.5
190.02769	0.2
202.98460	0.1
205.05194	0.1
207.91608	0.1
250.63530	0.2
271.03326	0.2
271.06226	0.5
273.04016	0.3
277.45407	0.1
281.54456	0.1
301.03741	0.3
308.08466	0.2
319.17453	0.2
340.51495	0.2
419.09808	0.2
447.09631	0.5
472.13379	0.7
473.13980	0.2
475.16980	0.3
484.97745	0.2
510.25732	0.9
511.22134	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	509.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98628	0.9
59.01369	1.1
61.98818	2.6
71.64258	0.9
76.37872	0.8
78.95905	18.0
81.15840	0.8
96.96972	2.6
147.93820	0.9
152.99602	29.0
171.00635	1.6
227.03242	3.7
245.04245	1.2
281.24850	100.0
282.25211	11.3
341.99332	0.9
421.07178	2.2
422.07910	1.5
465.09332	1.2
486.59921	0.9
509.12601	7.4
509.28787	65.7
510.12628	1.8
510.29053	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	509.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70300	0.5
55.01873	3.9
57.03444	3.7
58.00577	2.6
59.01377	69.1
60.01718	0.6
61.98830	20.3
61.99160	1.0
67.01904	0.5
69.03474	1.7
69.47979	4.6
71.01382	46.2
71.35282	0.6
72.01739	1.4
72.99310	3.8
73.02944	17.0
75.00876	1.8
81.03503	0.7
83.01391	10.4
85.02954	24.5
86.00127	0.8
86.03292	0.9
87.00893	2.6
87.04521	24.3
88.98820	0.7
89.02451	14.9
90.02804	0.5
93.03469	13.6
95.01396	3.1
97.02976	2.0
99.00888	7.2
101.02452	48.2
102.02821	1.0
109.02969	1.5
111.00887	3.7
113.02452	18.2
115.04029	1.1
119.03546	1.3
119.05027	1.0
124.00758	0.6
125.02494	3.3
125.03303	0.7
129.01965	1.6
131.03517	32.1
132.03857	1.2
135.37315	0.5
137.02464	15.8
138.02853	0.5
143.03516	2.2
145.03012	1.3
149.00771	0.5
149.04579	4.2
151.00430	1.4
151.03979	0.6
153.01926	0.8
153.09204	0.6
155.10814	2.1
155.79219	0.5
159.03009	2.7
160.01688	1.2
161.02422	1.1
161.04556	11.5
161.05891	0.8
163.04033	0.7
165.12860	1.7
173.04483	0.6
175.04033	1.2
177.04071	0.9
178.99902	0.6
183.13875	2.1
199.09840	1.1
205.03590	0.7
227.12936	1.9
229.08716	0.9
230.09285	0.6
233.06664	1.3
241.10739	0.5
251.12933	1.1
265.14456	0.6
271.02368	0.6
271.05832	0.9
273.04105	0.6
293.13812	3.9
294.09290	0.5
300.02753	0.7
301.03595	1.5
317.19684	81.0
318.20056	8.2
341.23608	0.9
347.18854	0.8
361.18872	0.7
371.16949	2.4
377.21747	2.0
378.22446	0.7
447.09106	1.5
449.23904	100.0
450.24207	13.9
509.18393	1.4
509.25784	3.6
509.36057	2.7
510.25385	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	509.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.4
58.00573	0.7
59.01099	0.7
59.01377	12.1
61.98830	33.2
66.24033	0.3
68.99780	0.4
69.03448	1.3
69.75220	0.7
69.75622	2.1
71.01383	8.9
71.05003	0.3
72.99290	1.2
73.02949	5.3
75.00877	6.5
81.03452	0.4
83.01386	1.1
83.05012	0.6
85.02953	4.4
87.00870	2.5
87.04519	4.1
89.02449	5.4
93.03437	1.0
95.01405	0.4
97.02945	1.3
98.19886	0.4
99.00888	1.5
101.02454	6.1
103.04037	0.3
108.02166	0.6
109.02966	1.5
111.00874	0.9
112.04077	1.8
113.02485	3.1
115.03992	0.4
117.03416	0.4
119.03527	2.1
119.05042	0.8
120.99657	0.6
123.04530	0.4
125.02467	0.7
129.01945	1.0
131.03584	0.5
132.02203	0.7
133.02951	0.5
134.03761	2.2
135.08179	2.6
136.04083	0.8
137.02492	2.1
137.08745	0.7
137.09737	11.0
139.11288	0.9
141.01976	0.5
143.03510	0.3
145.02954	1.2
147.04564	0.4
147.06639	0.8
147.44601	0.3
149.06070	0.6
151.04018	0.5
152.01224	0.6
152.03554	1.0
153.01947	0.6
155.10794	80.1
156.11145	3.1
160.01663	3.4
161.02457	0.8
161.04576	1.1
163.04073	0.7
163.82149	0.3
165.07706	3.5
165.09132	0.5
167.10838	0.4
169.12387	1.9
175.04019	4.1
176.04601	0.4
177.01959	0.5
177.04091	1.1
179.05693	0.8
179.10817	0.5
181.07245	0.6
181.08701	3.1
181.12332	0.4
183.10352	0.7
183.64052	0.4
185.11824	0.8
191.05615	0.5
191.07161	0.7
193.05028	2.2
193.12131	0.3
199.09760	28.1
200.10094	1.8
213.11301	2.0
213.14952	0.8
225.11479	0.6
235.06152	1.7
241.10803	7.6
241.14462	0.5
242.11217	0.6
243.12398	0.5
265.06998	0.8
284.03326	1.4
285.04053	3.5
287.09174	0.5
295.08228	1.2
317.15952	0.5
327.13013	0.6
341.06720	0.6
391.15826	1.6
397.11392	5.9
398.11694	0.3
447.09222	3.5
449.24130	1.0
509.22552	100.0
510.22891	15.1
510.34174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03448	3.6
58.00585	1.1
59.01374	42.3
60.01694	0.8
61.98833	11.2
69.03437	2.2
69.27239	5.6
69.27644	2.1
71.00671	0.7
71.01383	20.8
72.99309	2.6
73.02947	7.2
75.00468	1.2
75.00873	17.3
83.01390	2.4
85.02953	8.6
85.80229	0.7
87.00885	4.6
87.04516	2.3
89.02457	10.0
93.55558	0.7
95.01398	1.0
95.05036	0.8
97.02943	2.7
97.03547	0.8
99.00903	3.4
101.02442	12.4
108.02143	0.8
109.06606	0.9
111.00936	1.2
111.08189	0.8
113.02470	7.7
116.54067	0.7
116.92863	2.2
119.03493	3.7
121.05087	6.1
121.10234	1.3
125.02463	1.8
129.01939	2.8
131.03494	2.7
134.68056	0.8
137.02463	1.3
137.06107	1.0
137.09732	6.4
139.11302	30.5
140.11676	1.4
143.03511	1.2
151.11299	0.7
155.10789	40.1
156.11111	1.7
160.01680	1.5
161.04608	3.4
161.05843	0.7
163.04095	0.9
163.06136	1.4
163.11247	1.7
165.09216	1.6
169.12312	2.3
175.04004	1.4
177.04047	10.5
179.05585	1.3
179.10701	2.4
181.07161	4.6
181.08621	1.1
181.12343	8.7
183.10272	47.2
184.10527	3.4
185.11749	0.8
197.11801	3.2
199.09784	17.0
200.10181	1.0
205.06848	0.7
207.10301	1.1
209.61313	0.7
225.11290	9.7
235.06058	0.7
241.10756	4.5
243.12314	3.6
265.09259	1.9
267.12137	0.9
283.10223	3.0
285.13495	1.3
325.11322	4.4
327.14108	0.8
341.16031	0.8
343.12326	6.7
347.14899	2.0
359.13361	2.4
361.14914	1.1
377.14481	6.5
415.26999	0.9
445.32617	0.9
449.23776	2.7
473.16470	2.7
491.17087	2.3
491.21680	2.4
492.17914	0.9
509.21985	100.0
510.23532	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	509.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61632	0.7
55.01867	2.0
57.03442	8.7
58.00585	3.8
59.01376	59.2
61.98825	9.1
69.03454	14.8
69.41180	4.1
69.41598	2.0
71.01382	52.0
71.05011	2.8
72.01704	1.3
72.90495	0.7
72.99317	5.2
73.02549	1.6
73.02946	24.6
75.00868	7.2
81.07143	0.8
83.01415	4.7
84.02167	0.8
85.02956	22.9
86.03719	1.2
87.00883	11.1
87.04513	4.7
89.02445	37.6
90.02746	1.1
93.07099	2.8
95.01398	2.4
95.05037	1.4
96.96037	1.2
96.96969	1.3
97.02966	4.5
97.06601	1.3
99.00882	6.2
101.02452	46.2
102.02799	1.2
103.04012	1.5
105.01954	12.9
109.06600	4.5
111.08171	5.0
113.01721	1.4
113.02464	23.2
113.06171	1.0
115.04006	5.5
119.03516	14.5
121.06568	0.7
123.08160	3.1
125.02441	2.3
125.06103	2.4
127.03982	1.3
127.07663	16.6
128.07930	0.9
129.01915	1.6
131.03508	4.4
133.05052	1.1
137.06078	11.0
137.09746	8.5
139.11304	24.1
140.11662	1.2
143.03494	4.3
145.05090	2.0
149.04500	1.9
151.11270	1.4
155.07169	11.2
155.10786	44.8
156.11119	2.3
157.04987	1.0
161.04549	6.6
163.03984	0.8
163.06123	18.1
165.09195	2.6
169.12323	2.3
175.03954	1.0
175.06155	1.6
177.04053	6.0
179.05632	7.2
179.10753	1.5
181.07188	55.9
181.08615	2.3
182.07553	1.1
183.10269	100.0
184.10593	6.8
197.11835	23.0
198.12161	1.7
199.09750	22.3
200.10072	1.3
200.81093	0.9
205.07127	6.3
207.10205	1.7
213.11314	1.7
225.11316	36.3
226.11612	2.1
235.08012	0.8
241.10791	8.3
247.08191	2.1
255.12242	4.1
279.82510	0.9
283.10303	1.6
285.13370	3.6
301.12964	1.3
315.14185	0.9
325.11383	56.4
326.11649	4.5
343.12436	71.9
344.12717	4.4
359.13220	1.2
361.14929	2.7
377.14453	4.4
380.31735	0.9
403.16031	3.5
412.72171	0.9
430.89822	0.8
449.23752	1.4
473.16461	1.7
491.17569	0.9
509.18805	55.1
510.18002	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	509.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.1
57.03447	12.7
58.00586	3.8
59.01378	68.6
60.01709	1.1
61.98832	12.3
67.01883	0.8
68.53916	0.7
69.03452	14.6
69.28947	3.8
69.29375	4.7
69.72932	0.9
71.01383	57.3
71.05022	2.5
72.01693	1.0
72.99312	6.9
73.02947	14.0
73.09341	0.7
75.00880	14.1
81.03504	1.3
83.01395	5.9
85.02955	27.6
87.00895	7.3
87.04526	4.3
88.98853	1.0
89.02451	43.0
91.01909	8.8
93.03477	1.7
93.07108	2.5
95.01396	2.6
97.02956	3.8
97.06602	1.9
98.19836	1.6
99.00906	4.3
99.04515	5.3
101.02452	54.1
107.05034	1.9
109.02963	1.7
109.06581	2.8
111.00887	2.3
111.08141	3.0
113.01698	1.7
113.02461	24.8
113.06114	1.0
114.02739	0.8
115.03976	2.0
119.03510	15.4
119.04971	1.1
121.02987	1.3
122.03734	2.5
123.04546	1.8
123.08170	3.0
125.02457	3.4
125.06088	2.0
127.00350	1.0
127.04038	2.0
127.07655	11.2
129.01933	4.2
131.03482	4.3
133.05075	1.0
134.03760	1.9
135.00893	7.7
135.04538	3.7
137.02412	1.2
137.06099	6.3
137.09750	5.6
139.04033	1.7
139.11314	26.1
140.11604	1.0
141.01926	1.0
141.09209	0.9
143.03494	4.2
145.05089	5.4
147.03090	1.8
149.04596	1.1
151.04054	1.0
153.01956	3.6
153.09212	1.8
155.07152	7.6
155.10793	39.7
155.44550	0.9
156.11099	2.0
159.03052	1.8
160.01689	2.8
161.02473	1.3
161.04568	11.6
163.04099	1.1
163.06134	28.0
165.02049	1.3
165.05531	1.9
165.09210	2.3
175.03996	4.2
177.04063	12.1
178.99896	7.8
179.05602	8.5
180.04262	1.1
181.07185	32.7
181.08649	1.4
182.07498	1.0
183.10274	89.5
184.10628	5.8
185.11783	1.1
193.05016	1.8
195.04962	1.1
195.06657	1.7
197.00897	1.1
197.11844	16.0
199.09750	22.3
200.10109	1.8
205.07152	14.0
207.10303	1.1
213.11264	1.1
217.07271	1.2
225.11330	19.0
226.11716	1.4
235.08275	1.0
241.10825	3.5
255.12366	2.5
301.12717	1.5
325.11398	100.0
326.11795	7.7
329.12317	1.8
331.13922	1.3
343.12451	60.7
344.12817	2.8
347.13422	1.7
347.17273	2.3
350.26944	0.9
359.13351	3.3
361.14902	2.8
365.17886	1.1
377.14575	6.6
419.15286	2.0
449.16660	3.0
449.23825	7.8
450.23953	1.1
461.18564	1.8
473.16544	6.4
476.11011	1.0
491.17184	1.2
509.09323	10.2
509.18832	32.6
509.29855	1.6
510.10458	1.3
510.19022	4.4
510.23685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14499	0.8
55.01857	1.5
57.03447	6.7
58.00558	3.0
59.01376	40.1
61.98831	11.5
61.99619	0.8
69.03456	6.8
69.25726	0.7
71.01382	37.3
71.04990	2.0
71.19210	2.3
72.99282	3.0
73.02948	24.9
75.00876	7.5
75.49274	0.8
81.03438	1.6
83.01333	3.0
85.02954	16.5
85.27494	0.9
86.03700	0.8
87.00883	8.0
87.04535	5.6
89.02451	23.1
90.02744	1.0
93.07057	1.9
95.01326	1.5
96.95965	1.1
97.02930	3.4
99.00897	6.4
101.02452	29.1
103.03939	0.9
105.01948	10.8
109.06545	2.6
111.08103	3.0
113.01728	0.9
113.02451	11.4
113.06122	0.8
115.03983	2.3
117.01931	1.3
119.03532	7.6
120.67846	0.8
121.02927	1.2
125.02432	1.6
125.06092	1.8
127.03954	1.4
127.06842	0.8
127.07666	10.4
129.01877	1.4
131.03409	2.7
134.03702	1.2
135.08081	1.8
137.06073	6.4
137.09727	13.6
139.11304	15.8
143.03410	2.3
145.05003	1.5
147.02945	1.0
151.11163	1.2
155.07249	5.5
155.10791	84.3
156.11089	3.9
160.01588	1.1
161.04568	8.1
162.38123	0.9
163.06128	9.7
165.09149	1.5
169.12222	3.6
173.64503	0.8
175.03929	1.8
177.04056	5.7
178.99789	1.1
179.05673	4.6
181.07208	31.1
181.08676	4.2
182.07353	1.0
183.10274	55.5
184.10580	4.0
185.11676	1.2
193.05005	1.0
197.10240	1.0
197.11836	15.3
198.12132	0.9
199.09761	54.9
200.10081	4.5
205.07040	3.1
213.11298	4.3
225.11320	20.1
226.11574	1.5
241.10806	16.6
242.11000	1.8
247.08025	1.7
255.12291	1.7
271.11569	1.5
285.13248	2.0
301.12924	5.8
325.11374	32.4
326.11398	2.5
343.12442	40.3
344.12552	2.0
359.12982	1.0
361.15067	8.0
377.14337	4.5
403.16144	4.2
449.23346	2.3
473.16223	2.4
491.17142	3.3
509.18298	100.0
510.11322	1.0
510.18594	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	509.1239
Annotation	Isolophirone C
Peak:m/z	Relative Intensity
59.01378	2.2
59.38209	0.6
61.98833	5.9
62.63099	0.5
70.96205	1.1
75.00878	1.0
85.88374	0.7
87.89951	0.5
91.94173	0.6
110.39087	0.6
115.49409	0.6
131.82896	0.7
131.83833	0.6
197.01537	0.6
219.10847	0.6
253.06200	0.6
291.99911	0.6
298.35565	0.7
323.07117	1.4
375.06561	1.0
377.08408	1.6
379.05988	1.0
383.62564	0.6
393.07599	2.8
403.06348	1.2
405.07809	2.0
407.05017	2.7
408.06366	0.9
409.06970	1.1
419.05573	2.2
420.06351	1.9
421.07126	37.2
422.07809	18.1
423.08438	2.7
435.05249	1.6
439.08279	0.7
447.09134	1.4
447.23926	1.5
450.07294	3.0
451.07843	0.8
453.09900	0.7
464.09106	0.8
464.16843	0.6
465.09805	17.2
466.10440	12.4
467.10886	2.6
473.32474	0.9
481.12717	0.7
494.10147	3.9
509.12381	100.0
509.34753	1.9
510.12720	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	509.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55051	0.2
59.01371	2.0
62.67195	0.2
70.86565	0.3
70.86905	0.4
71.01387	1.8
72.99310	1.3
73.02938	0.4
75.00872	4.8
77.95746	0.2
78.95898	1.2
85.02954	0.5
87.00880	20.6
88.01213	0.5
89.02456	1.0
96.96021	0.5
96.96970	3.4
99.00890	3.1
101.02478	1.6
104.15961	0.2
105.01942	21.5
106.02310	0.7
107.02393	0.4
113.02417	0.3
115.00399	0.4
115.01835	0.3
117.01945	0.7
119.03502	0.4
129.01979	1.2
130.64371	0.2
133.01434	0.7
135.02968	0.7
147.02989	3.8
149.04533	0.3
165.04054	100.0
166.04393	4.1
167.04489	3.1
194.94713	0.5
195.05147	2.5
228.97649	0.3
266.94012	0.3
272.00052	0.2
277.05560	0.6
313.11386	0.6
326.96243	0.7
337.07733	3.2
338.08154	0.4
464.25214	0.3
484.76740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	29.7
61.98823	33.8
71.30179	6.2
71.30522	13.0
78.95899	19.7
96.70708	5.7
115.19112	5.9
152.99588	31.6
240.84373	5.6
274.59467	5.5
277.21716	39.0
278.22049	45.9
279.22357	71.0
290.30441	5.7
295.88571	5.4
471.34833	100.0
472.35190	16.0
507.26236	72.3
507.33038	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	508.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.2
57.03458	0.3
59.01378	2.4
61.98829	100.0
62.98536	0.2
63.60769	0.1
63.99247	0.2
69.03456	0.1
71.01391	1.8
71.53672	0.2
71.64312	0.3
72.99322	0.3
73.02934	0.7
75.00883	0.7
83.01410	0.4
85.02962	0.9
87.00893	0.4
88.98816	0.4
89.02443	0.8
91.01917	0.4
93.03466	1.6
94.03800	0.2
95.01367	0.3
97.02982	0.3
99.00893	0.3
101.02451	1.2
108.02186	1.4
109.02972	0.7
113.02466	0.8
117.03474	1.4
119.03537	0.2
119.05029	0.9
121.02984	0.4
123.00883	0.2
123.04533	0.7
124.01652	0.2
125.02482	0.8
133.02985	0.4
134.03719	0.2
135.00916	0.4
135.03017	0.7
135.04547	0.3
137.02458	4.0
137.09718	0.2
138.02829	0.5
145.02968	7.3
146.03333	0.4
149.06131	0.2
149.99635	0.4
150.03149	0.2
151.04016	0.3
152.01154	0.7
153.01991	0.5
155.10835	0.5
159.04660	0.2
160.01671	0.4
161.02448	1.1
161.04628	0.2
163.04053	1.2
164.04366	0.2
165.12897	0.4
167.03545	1.2
168.00665	0.3
168.95380	0.2
175.02689	0.2
175.04051	0.6
177.01971	0.5
177.04106	0.3
178.99944	0.4
179.03555	0.5
179.10866	0.1
181.07162	0.2
181.08725	0.2
183.13933	1.1
184.10533	0.2
184.14276	0.4
187.04056	0.5
187.07729	0.5
189.01988	1.0
190.02719	0.3
191.03423	0.4
193.05107	0.2
199.09744	0.4
205.05151	0.3
213.15031	0.3
216.00664	0.2
217.01414	0.8
219.03043	0.4
227.12965	0.7
228.13292	0.4
239.05699	0.4
257.08286	0.5
261.65619	0.2
281.06766	0.8
294.83612	0.2
315.07086	0.3
341.06659	2.3
346.16003	0.2
375.87198	0.2
445.11380	3.5
446.12003	0.6
465.06699	0.4
465.17844	0.7
507.21378	0.8
507.28870	0.8
508.11520	0.3
508.22668	2.7
508.28970	0.7
509.05157	0.6
509.11893	1.3
509.21375	1.3
509.30014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62685	0.9
53.04163	0.9
53.69012	0.9
55.01884	1.5
57.03452	1.6
58.00583	3.4
59.01376	100.0
60.01688	1.3
61.98815	2.4
69.25431	11.9
69.25802	1.5
71.01379	56.2
72.01702	1.1
72.99296	2.7
73.02956	8.3
83.01392	4.0
85.02953	10.1
87.00872	6.7
89.02448	88.3
89.77026	0.9
91.67760	0.9
95.84428	0.9
97.02953	1.2
99.00889	1.6
101.02450	44.7
111.00867	1.6
113.02466	14.6
119.03516	10.7
125.02464	3.3
131.03517	43.2
143.03467	1.8
149.04564	78.1
150.04941	1.9
161.04501	3.0
179.05600	4.6
191.05612	20.4
251.07741	2.0
311.09738	1.3
315.18085	1.5
447.22324	54.7
448.22702	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	507.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
60.08326	0.4
61.82240	0.3
61.98827	8.1
78.95905	22.5
84.50491	0.3
88.55744	0.3
92.50719	0.3
96.96969	2.1
98.19857	0.9
113.02467	0.3
118.20325	0.3
125.02454	0.4
150.98018	0.5
152.99599	35.6
154.00005	0.6
159.37582	0.3
171.00652	1.4
204.40448	0.3
227.03264	5.0
245.04333	1.4
256.23587	0.6
261.22333	0.6
279.23279	100.0
280.23645	11.0
338.42578	0.4
415.22684	0.9
507.27188	65.3
508.27554	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	507.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69580	10.8
59.01379	29.8
59.98803	13.8
61.98841	95.6
70.00511	48.6
78.95909	57.1
152.99591	63.2
153.85306	12.2
167.96660	12.7
194.91492	12.6
196.89395	22.4
255.23235	14.6
279.23312	100.0
280.23495	17.0
301.60025	11.4
302.09604	11.6
507.27286	54.3
507.32895	20.8
508.27164	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	507.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49551	0.3
57.03448	0.4
58.00593	0.6
59.01379	8.5
61.98829	5.8
69.35177	0.3
69.35612	0.6
69.36021	2.5
71.01382	6.2
72.99292	0.5
73.02959	1.3
75.00879	0.4
83.01402	0.8
85.02953	2.2
87.00884	0.4
88.98809	1.6
89.02451	3.2
93.03476	0.6
94.27200	0.3
95.01406	0.5
95.05009	0.4
97.02955	0.3
99.00890	1.1
101.02458	3.4
104.02688	0.4
105.03488	0.8
113.02473	1.6
117.03500	1.1
119.03502	1.2
119.05061	0.9
120.64384	0.3
121.03013	0.3
123.04492	0.3
125.02459	0.5
131.03558	0.5
132.02182	17.9
133.03001	5.3
134.03755	15.3
135.04462	1.0
137.02435	2.7
139.04048	0.5
145.02977	1.3
147.04576	0.4
149.04617	0.8
149.06097	2.4
150.03236	0.4
155.10762	0.5
160.01672	81.9
161.02022	4.6
161.04549	1.0
163.04041	0.5
168.00696	0.7
173.06079	0.5
174.03218	0.3
175.04012	87.4
176.04344	5.7
177.01929	1.0
178.02672	1.0
179.03551	1.4
179.05696	0.3
183.62471	0.3
187.04076	0.3
187.07706	0.4
193.05058	12.6
194.05418	0.6
201.05611	0.9
201.09267	0.5
202.06406	0.6
211.13388	1.1
229.08740	1.9
230.09401	2.1
235.06097	0.8
246.08473	0.3
379.66388	0.4
409.15222	0.7
410.15646	1.6
447.22052	1.7
492.20038	1.5
507.22318	100.0
508.22702	19.1
508.28690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03443	1.4
57.94637	0.5
58.00590	0.9
59.01376	21.5
60.01705	0.6
61.98829	20.8
65.27754	0.5
69.03471	1.0
71.01381	15.3
72.99320	2.2
73.02946	3.8
75.00889	0.8
75.38985	0.5
75.45544	0.5
78.95911	1.5
83.01389	2.8
85.02954	6.8
86.01276	0.5
87.00884	1.6
88.98823	0.8
89.02461	7.7
90.81055	0.5
93.03461	1.4
95.01384	1.3
97.02955	1.3
99.00881	1.5
101.02446	10.4
102.02801	0.8
108.02155	0.7
109.02970	1.7
111.00883	1.1
113.02459	5.5
117.03480	1.2
119.03523	3.3
119.05034	2.2
121.02980	1.0
123.04498	1.0
123.08261	0.5
124.01682	0.9
125.02437	3.4
131.03525	0.7
132.02188	17.4
133.03000	5.7
134.03755	17.1
135.04483	2.0
137.02458	4.2
139.04015	0.8
143.03479	0.9
144.03300	0.6
145.02951	2.7
147.04526	0.7
149.06090	1.7
149.99599	1.0
151.00388	1.9
151.04048	0.8
155.10733	0.8
159.03053	0.7
159.04469	0.6
160.01675	84.1
161.02066	4.7
161.04568	2.1
161.05966	0.7
163.03993	2.3
168.00673	1.3
172.05269	0.7
173.06079	1.6
173.09666	0.9
174.03273	0.7
174.06952	0.6
175.04012	96.4
176.04372	5.3
177.01840	1.2
177.05539	0.6
178.02689	0.6
179.03490	1.5
179.05618	1.1
186.07040	0.6
187.04019	1.6
187.07634	2.9
193.05066	13.8
194.05341	0.9
201.05579	6.9
201.09131	2.8
202.06316	4.8
203.07155	0.8
221.04553	0.6
229.08694	10.4
230.09462	11.3
231.09883	1.1
233.61206	0.6
235.06033	0.8
242.05785	0.6
243.06360	0.8
261.46060	0.6
310.21152	1.0
331.06409	0.7
341.24954	0.7
345.30026	1.7
401.57748	0.6
409.14783	3.5
410.15768	8.8
411.16220	1.6
447.12952	1.0
447.23486	2.3
492.20035	1.5
507.22266	100.0
507.34763	20.9
508.22586	18.3
508.34760	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	507.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84484	0.5
54.97890	0.4
55.01891	0.6
56.09787	0.5
57.03447	1.7
57.45020	0.5
58.29047	0.5
59.01381	19.0
60.01720	0.6
60.64619	0.4
61.98830	13.9
69.03466	1.6
71.01389	10.8
71.01758	0.8
71.05039	2.9
71.65964	0.9
72.01753	0.6
72.91820	0.5
72.99310	4.1
73.02951	8.8
74.99101	0.9
75.00878	9.1
81.03460	1.8
83.01415	2.1
83.05030	8.5
85.02956	5.4
87.00880	2.5
87.04518	6.7
87.71379	0.5
88.98837	1.5
89.02446	5.5
89.02921	0.5
90.21031	0.5
90.83585	0.5
93.03462	5.3
93.03918	0.5
95.01420	1.0
97.02967	3.5
97.06607	3.8
99.00921	1.2
99.04558	2.3
101.02457	8.8
101.03076	0.6
101.06118	0.9
107.01409	0.7
108.02223	0.7
109.03009	1.3
111.00903	0.9
113.02447	4.8
115.04057	1.3
116.92871	1.7
117.05606	0.7
118.98127	3.5
119.03548	1.6
119.05019	2.9
121.02965	2.7
123.00902	0.8
123.04598	0.9
124.01692	0.7
125.02489	2.5
125.06116	0.5
127.04070	3.0
129.01982	0.9
131.03487	0.6
135.04552	1.2
135.08252	1.5
137.02475	5.2
137.06090	0.5
137.09746	8.1
139.11337	1.4
141.01962	0.7
141.05637	3.1
143.03571	1.3
145.03058	1.2
145.05089	14.8
147.03008	0.6
147.06711	0.9
149.02440	0.5
151.00412	3.3
152.00917	0.9
153.09250	2.0
155.10803	59.6
156.11119	3.5
156.79593	0.5
160.01706	1.3
161.02571	1.2
161.04634	2.1
163.04076	1.6
163.06232	3.1
163.07527	0.7
165.01920	1.1
165.05560	5.2
167.10898	1.1
168.00688	1.1
169.01489	1.3
169.12370	2.6
171.10266	0.6
173.04573	0.8
175.02650	0.5
175.04041	1.3
177.04112	1.0
178.02473	0.8
178.99974	1.0
179.05728	0.6
179.10909	0.6
181.05164	0.7
181.07365	0.7
181.08699	2.4
183.10262	6.1
184.10634	0.8
185.11891	0.7
191.03531	0.6
191.05704	1.1
199.09781	22.5
200.10179	1.1
213.11304	2.8
215.09311	2.2
225.07796	2.3
225.11304	1.0
241.10834	8.7
242.11243	1.1
243.12454	1.0
271.06229	2.3
272.06467	1.6
273.06802	1.7
281.06616	4.1
281.12570	1.6
285.17221	0.7
307.10553	0.7
325.11731	1.1
345.15601	0.7
357.11960	0.7
359.13535	2.8
361.15161	0.9
365.14651	1.1
387.12759	0.6
393.36295	0.6
425.39694	0.6
433.17215	0.6
447.13254	0.8
471.19235	0.9
489.19983	1.6
507.21066	100.0
508.21436	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	507.1142
Annotation	Moghanin A
Peak:m/z	Relative Intensity
50.54606	0.3
59.01373	0.4
59.76254	0.4
62.97899	0.4
69.03460	3.2
71.21315	1.0
76.06448	0.4
79.01889	0.7
81.03468	0.9
83.01403	1.3
85.02968	0.4
93.03419	0.4
93.89269	0.4
95.01407	1.5
97.02958	2.8
107.01417	1.4
108.02205	1.1
109.02985	0.8
117.03474	0.7
121.03003	0.9
123.00904	10.0
124.01679	24.2
125.02463	41.0
126.02771	1.1
132.02177	1.5
134.03758	7.8
136.01639	0.9
137.02472	2.3
149.06120	0.9
149.99605	40.5
151.00400	2.2
151.04013	0.4
153.05658	0.4
160.01669	10.7
161.02367	1.2
165.01926	0.7
167.03528	1.2
168.00656	55.4
169.01364	4.2
175.04013	8.9
175.06407	0.4
178.02623	0.5
179.03560	0.6
193.01379	0.4
193.05054	2.5
313.05673	3.1
331.06696	11.9
332.07050	0.9
337.09180	0.7
389.92343	0.4
408.16516	0.4
489.10394	0.8
507.11401	100.0
508.11722	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	507.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99690	0.3
59.01370	1.7
71.01379	1.3
72.99304	1.3
73.02935	0.6
75.00869	3.9
87.00878	22.2
87.04536	0.4
89.02449	0.7
96.64668	0.4
98.20660	1.0
99.00887	2.8
101.02454	1.0
105.01942	21.6
117.01968	1.0
118.90590	0.3
122.04533	0.4
129.01974	0.8
135.03038	0.5
147.03000	3.8
157.05733	0.4
163.06151	1.0
165.04048	100.0
166.04370	3.3
229.57660	0.5
238.30855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
57.03446	4.1
58.00583	1.9
59.01379	37.1
59.57940	0.6
60.01709	0.9
61.98829	17.3
65.54448	0.5
68.85193	0.5
69.03451	1.4
71.01384	55.6
71.56711	0.9
72.99306	3.5
73.02950	17.5
75.00880	1.0
78.95906	1.2
83.01392	8.0
85.02958	26.1
86.00105	1.4
87.00886	4.7
87.04524	5.7
88.98816	0.6
89.02448	14.6
93.03477	1.2
95.01398	4.4
97.02946	2.7
97.06664	0.7
99.00878	8.1
99.04532	0.8
101.02453	44.6
102.02771	1.0
108.02196	0.6
109.02963	0.5
109.06605	0.7
111.00892	3.3
111.04574	0.6
113.02464	21.2
117.03492	9.6
118.03773	0.5
119.03665	4.5
119.05041	29.0
120.05376	1.4
121.03021	1.2
123.08192	0.7
124.01689	1.0
125.02496	3.7
125.06162	0.6
129.01985	0.6
131.03528	1.2
134.03763	0.6
135.04567	0.9
135.08228	0.9
136.07689	3.1
137.02480	2.1
137.06116	0.7
137.09731	7.9
139.04045	1.5
139.07655	1.1
139.11275	0.8
141.12878	0.9
143.03491	2.8
145.02968	28.1
145.06630	0.8
146.03320	1.9
149.99609	1.1
151.00381	0.9
151.11285	0.6
155.10793	49.5
156.11107	2.5
158.03760	1.3
159.03024	3.7
159.04552	1.5
160.01711	2.4
161.02531	0.8
161.04581	15.9
161.05898	0.6
163.04033	39.6
164.04340	1.6
168.00668	1.5
169.12390	2.3
171.13972	0.9
172.05331	1.5
173.06128	2.8
173.09752	1.2
174.03333	0.7
174.06950	1.3
175.04005	2.5
175.07590	0.6
176.04344	0.5
177.02008	0.5
179.05626	1.8
179.10818	1.7
181.08696	2.7
181.12370	0.5
186.06892	0.9
187.04036	4.3
187.07655	3.5
190.05084	0.6
191.10751	1.2
195.10226	0.9
199.09767	53.4
200.04785	1.8
200.10129	3.1
200.15788	0.6
201.05562	9.1
201.09183	3.1
202.06361	4.7
202.09975	0.6
203.07178	1.5
205.03481	1.0
209.11874	0.6
211.13452	0.7
213.11330	1.9
214.06274	0.5
215.07280	1.4
224.69577	0.5
229.05214	1.0
229.08707	15.0
229.10861	1.0
230.09450	16.5
231.09929	1.7
241.10822	11.8
253.10820	1.7
255.12320	0.7
271.06094	1.7
271.11862	3.0
283.11865	7.3
284.12521	0.7
289.07022	0.6
299.26013	2.5
301.12915	9.7
302.13168	0.6
307.08212	0.7
327.16122	0.8
343.14014	6.5
345.26474	0.7
345.30130	15.6
346.30533	1.3
361.15036	25.1
362.15573	2.4
409.15082	4.1
410.15805	12.9
411.16272	1.5
417.75305	0.6
476.18448	1.6
507.11292	2.1
507.19821	2.1
507.22906	4.0
507.35498	100.0
508.21222	1.3
508.35880	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	506.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73560	0.2
53.05910	0.2
57.03421	0.3
58.66303	0.2
58.99594	0.3
59.01379	2.6
59.91969	0.2
60.24473	0.2
60.72821	0.2
61.98828	100.0
62.70315	0.2
62.98538	0.4
63.99256	0.7
69.03454	0.2
69.51318	1.3
70.05551	0.2
70.85509	0.2
71.01379	2.4
71.48897	0.2
72.99313	0.6
73.02957	0.7
73.06544	0.2
75.00877	0.7
83.01389	0.4
83.05064	0.2
84.43277	0.2
85.02938	1.2
87.00878	0.9
88.98819	0.9
89.02452	1.1
93.03481	0.4
97.02950	0.3
98.19923	0.4
99.00880	0.5
101.02482	1.0
102.98619	0.7
105.01958	0.5
105.52677	0.2
109.02995	0.3
111.00909	0.8
113.02471	0.9
116.92883	0.9
117.03487	0.9
117.92905	0.4
119.03522	0.5
119.05043	1.3
121.05073	0.2
122.03803	0.2
123.04514	0.3
124.07732	0.2
125.02441	0.6
129.01955	0.3
133.03000	0.2
134.03754	0.2
135.04529	0.6
135.08182	0.2
137.02455	0.6
137.09750	0.2
139.00391	4.1
139.01424	0.3
145.02980	4.7
146.03326	0.4
149.06123	0.2
151.00421	0.2
151.04033	0.6
152.03514	1.4
153.01990	0.6
153.09207	1.0
153.95534	0.2
155.10803	1.4
160.01691	0.3
160.03877	0.2
161.02477	0.9
161.04593	0.5
163.04007	1.5
164.04518	0.2
173.04591	0.7
175.04036	0.4
177.04080	0.7
179.03688	0.3
179.05547	0.3
182.99362	0.4
191.05676	0.5
195.05171	0.3
195.10349	0.3
197.08226	0.4
199.09808	0.5
205.05125	0.3
235.06062	0.4
265.07428	0.2
283.05029	1.1
315.40244	0.2
334.64835	0.3
343.11960	0.2
344.12244	0.8
359.13672	0.6
397.11407	0.3
443.15561	9.5
444.15875	1.0
463.08575	0.4
506.18271	0.4
507.17456	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	507.114
Annotation	Moghanin A
Peak:m/z	Relative Intensity
50.54372	0.4
57.03447	6.1
59.01379	16.1
61.98833	6.8
63.02414	0.5
65.00328	9.1
69.03460	1.4
69.31010	5.4
71.01378	6.8
71.05007	0.5
72.99312	1.5
73.02956	2.9
75.00880	4.8
81.03474	1.6
83.01393	9.6
83.05058	0.8
84.66992	0.4
85.02950	3.7
87.00893	2.2
87.04538	0.6
89.02468	3.1
91.01913	0.7
93.03471	2.3
95.01398	0.8
97.02970	2.1
98.19833	1.0
99.00887	1.3
99.04565	0.6
101.02448	4.7
107.01399	16.4
109.02959	1.1
111.00925	1.2
111.04552	0.5
113.02505	2.4
117.03460	0.5
119.03541	1.7
119.05083	1.0
121.02950	1.1
122.03793	1.0
123.04609	0.8
124.01682	3.2
125.02464	31.6
126.02846	1.1
129.01997	0.9
131.03575	0.7
132.02173	2.9
133.02942	1.3
134.03763	4.3
135.00912	0.6
135.04538	1.1
137.02463	2.0
137.09795	2.2
139.00365	0.5
139.04042	1.5
139.11305	4.8
141.01965	0.6
143.03513	0.4
145.02962	1.3
145.05122	0.7
149.02458	1.9
149.06099	0.9
149.99644	0.5
151.00391	72.6
152.00723	2.8
153.01999	0.9
153.09166	0.6
155.10805	15.6
156.11153	0.7
160.01680	12.7
161.02437	3.6
161.04573	0.7
162.02290	0.6
163.04018	0.7
165.01941	1.6
167.03522	1.2
168.00652	3.4
169.01451	20.1
169.05170	0.5
170.01750	0.6
171.08250	0.7
173.04643	1.1
175.00430	5.1
175.04015	10.9
176.00803	0.6
176.04341	2.5
177.02077	0.7
177.04097	4.7
177.05588	0.6
179.03474	1.7
179.05573	1.1
181.08701	1.0
181.12334	1.8
183.02989	0.6
183.10281	6.7
191.07256	0.6
193.01469	3.4
193.05099	2.8
195.05191	0.5
197.09784	1.0
199.09755	8.0
200.10167	0.7
205.01471	0.6
211.02454	0.6
215.09271	0.7
221.04459	0.5
225.11313	1.4
239.10831	0.5
241.10788	1.3
243.12379	1.6
257.11609	0.6
281.12375	0.8
283.09717	1.7
301.03421	0.6
301.10794	2.0
302.17737	0.5
313.05853	0.6
323.07782	0.8
337.09482	0.7
345.15839	0.9
359.13388	1.4
361.15167	1.2
363.16849	0.6
433.07816	0.8
463.15143	3.8
475.08371	0.5
505.48251	0.6
507.11325	100.0
507.17532	5.4
507.23679	10.4
508.11676	14.4
508.17783	0.5
508.24319	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3533
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
50.47769	0.2
57.03441	0.6
59.01090	0.3
59.01379	6.0
60.99316	0.2
61.98832	3.4
68.52419	0.2
69.03414	0.2
69.73792	0.2
71.01382	0.8
71.05022	1.4
72.99292	0.2
73.02954	0.7
78.95913	0.3
81.91933	0.2
83.01380	0.3
83.05017	0.4
83.95564	0.2
85.02944	0.6
88.98801	0.4
89.02425	0.6
93.03491	0.4
95.05045	0.2
96.63633	0.2
97.06589	0.4
99.97145	0.2
101.02433	0.6
109.06595	0.3
113.02460	0.3
119.04987	0.3
121.02962	0.5
123.04523	0.2
123.33756	0.2
125.02435	0.3
129.68384	0.2
137.02429	0.3
138.01999	0.4
146.25551	0.2
147.04526	0.2
147.87799	0.2
151.00423	0.2
156.86655	0.2
163.04004	0.2
175.04016	0.2
179.03424	0.2
209.11884	1.6
232.05405	0.2
253.09229	0.3
266.17239	0.2
353.24890	0.6
381.28217	0.3
383.25992	0.5
385.23621	0.2
399.25235	1.0
400.25604	0.4
423.32529	0.9
425.30606	2.2
426.30658	0.3
427.24728	0.7
445.25919	4.1
445.33231	4.2
446.26215	0.6
446.33444	0.4
463.26889	0.3
487.31046	0.5
489.32397	0.3
505.28232	7.6
505.35275	100.0
506.35645	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3539
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
51.68739	0.1
55.88526	0.1
57.03419	0.3
57.31457	0.1
59.01377	2.2
61.98832	1.2
71.42823	0.2
71.61215	0.3
73.02949	0.4
78.95901	0.3
83.05054	0.2
87.04517	0.2
95.82892	0.2
113.02493	0.2
124.94093	0.2
125.00404	0.2
144.97058	0.1
160.54488	0.1
161.02406	0.2
180.03009	0.2
245.04413	0.3
301.18137	0.4
311.12958	0.2
361.20251	0.2
399.25424	0.4
421.31079	0.9
439.32214	1.1
441.33832	0.3
445.26105	0.6
457.32822	0.3
459.28094	0.4
459.34683	0.5
467.31448	0.6
469.32455	0.3
471.33649	0.5
475.32318	0.4
503.33655	1.3
504.33801	0.3
505.35095	100.0
506.35538	17.8
515.32947	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
58.00574	0.2
58.99587	0.2
59.01379	3.3
60.99323	0.2
61.98829	100.0
62.53300	0.1
62.98515	0.2
63.22699	0.2
63.99260	0.5
69.03458	0.3
71.01382	2.7
71.59447	0.2
72.01746	0.2
72.99321	0.6
73.02942	0.9
74.59169	0.2
74.99091	0.2
75.00874	1.2
83.01410	0.5
85.02959	1.2
87.00879	0.9
87.04552	0.1
88.98798	0.8
89.02450	1.6
93.03477	0.6
95.01402	0.4
97.02988	0.3
99.00903	0.6
99.04551	0.2
99.93415	0.2
101.02457	1.4
102.98629	1.2
105.01952	0.7
105.83194	0.2
107.05039	0.2
108.02213	0.2
109.02954	0.3
111.00883	0.9
111.04533	0.2
113.02456	1.1
115.00394	0.2
116.92883	1.1
117.03492	0.6
117.92897	0.3
119.03497	0.8
119.05080	0.7
120.99739	0.2
121.02952	0.2
123.04550	0.3
125.02485	0.8
129.02016	0.3
131.03552	0.2
133.02933	0.3
133.10323	0.2
135.03053	0.3
135.04562	0.5
136.01680	0.3
137.02464	0.6
137.09758	0.4
139.00389	6.4
143.03513	0.1
144.14961	0.2
145.02969	5.4
146.03333	0.4
151.04063	0.6
152.03519	1.4
153.01965	0.8
153.09227	1.1
155.10800	1.0
160.01691	0.2
161.02466	1.1
161.04616	0.5
161.06062	0.2
163.04042	1.7
164.98352	0.5
165.04170	0.2
167.10860	0.3
173.03314	0.2
173.04546	0.7
175.04041	0.5
177.04102	0.8
177.05534	0.2
179.03560	0.4
179.05624	0.5
181.12465	0.2
182.99417	0.6
183.10252	0.2
189.05629	0.1
191.05679	0.5
193.05121	0.2
195.05180	0.2
197.08258	0.5
199.09839	0.5
205.05116	0.3
220.03423	0.2
224.21150	0.2
235.06110	0.3
249.06268	0.2
265.07245	0.2
283.04910	1.3
285.17188	0.2
300.02631	0.2
301.05911	0.2
315.14728	0.3
317.11588	0.2
323.07767	0.2
327.09277	0.2
344.12396	0.6
359.13501	0.7
369.11203	0.2
375.12851	0.3
397.11902	0.2
443.15567	8.6
444.15823	1.1
447.22415	0.3
463.08795	0.8
506.17807	0.6
507.08389	0.3
507.17538	2.8
507.28439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3016
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
53.04836	0.5
54.16145	0.5
55.01888	0.5
57.03458	2.4
59.01378	11.1
61.98830	3.2
67.01878	0.8
68.99821	1.0
69.03454	0.8
71.01006	0.8
71.01384	12.3
72.99310	3.8
73.02935	1.0
75.00877	14.1
81.03448	0.5
83.01366	0.7
85.02956	15.2
87.00877	4.0
89.02449	2.5
93.03467	0.7
93.04946	0.6
95.01402	3.7
97.63993	0.6
98.19867	1.1
99.00882	8.1
103.00381	1.4
103.88628	0.5
111.00892	0.6
113.02457	18.2
114.02782	0.8
115.00384	1.6
117.01974	3.0
157.01399	0.8
175.02499	3.2
191.76585	0.5
229.30312	0.7
231.05003	1.4
249.03842	0.4
249.06136	14.0
255.23279	84.3
256.23621	7.9
267.07196	2.0
360.58362	0.7
464.79605	0.6
487.29196	3.0
488.29358	0.6
505.30139	100.0
506.30499	16.3
506.37924	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3532
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
54.80936	0.2
57.03437	0.8
59.01372	0.3
60.99297	0.5
61.98823	0.3
63.29202	0.2
71.55436	0.3
73.02937	0.2
83.05027	0.3
87.04522	3.5
97.39538	0.2
99.35644	0.2
101.39539	0.2
109.06602	0.3
147.31108	0.2
178.34552	0.2
254.49983	0.2
298.84341	0.2
365.28629	0.3
371.29688	0.3
379.30139	0.3
381.28043	0.4
383.29721	0.5
397.31210	0.4
399.29156	0.3
409.31039	0.2
413.30719	0.2
427.32278	1.3
428.32397	0.3
441.33942	0.4
443.31351	0.8
457.33298	0.3
487.34265	6.1
488.34549	1.3
489.32101	0.2
505.35318	100.0
506.35678	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	505.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.4
61.98817	1.0
70.45966	1.3
78.95905	25.4
96.96974	2.3
104.54092	0.4
113.82337	0.4
114.81181	0.3
136.42450	0.3
139.12018	0.3
150.98038	0.5
152.99596	43.1
153.99916	0.6
171.00697	2.0
227.03232	6.7
233.22722	0.8
245.04227	2.0
259.20667	0.6
275.20151	0.5
277.21704	100.0
278.22064	11.2
279.23193	0.7
280.23578	1.1
354.07178	0.4
413.20999	1.5
431.22025	0.4
505.25665	83.3
506.25995	13.5
512.71265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2807
Annotation	Mucronine A
Peak:m/z	Relative Intensity
55.01736	0.6
55.01970	0.9
57.03267	0.7
57.03577	1.3
59.00976	0.7
59.01513	16.7
60.99149	0.5
60.99404	0.6
61.79683	0.4
61.98605	4.2
61.98969	9.3
70.79838	1.2
71.01092	2.4
71.01540	6.9
71.05153	0.4
72.01057	0.4
72.01861	0.5
72.99114	0.4
72.99453	0.9
73.02646	1.4
73.03112	3.8
78.95573	0.6
78.96082	2.0
83.01536	1.0
83.05196	1.8
85.02570	0.6
85.03131	3.1
87.00556	0.4
87.01017	0.8
88.98990	2.2
89.02641	4.0
93.03011	0.9
93.03650	2.5
95.01042	0.4
95.01536	0.9
97.06710	0.7
99.01044	0.7
101.01908	1.2
101.02652	6.5
107.05235	0.4
108.02330	0.5
109.03177	0.4
111.01054	0.7
113.01820	0.9
113.02666	3.3
113.93189	0.4
119.03725	1.7
119.05203	0.6
121.03117	0.9
135.04759	0.5
136.32507	0.4
137.02684	4.9
138.02971	0.4
143.03702	0.5
143.11005	0.4
145.03113	0.5
149.04889	0.3
151.00525	0.5
153.12962	0.7
159.03210	0.7
161.02611	0.6
161.04805	2.1
179.05803	1.0
187.11432	0.4
191.05873	1.3
209.11975	0.6
291.19873	0.7
307.20911	0.5
323.23907	0.8
337.25516	1.0
339.23270	1.0
343.28549	1.1
353.25070	0.5
357.24396	0.9
365.25040	0.9
367.22836	3.0
368.23395	0.5
371.22311	0.7
381.24438	1.5
383.25919	4.0
384.26190	0.6
385.23843	17.9
386.24295	3.0
399.25366	7.1
400.25858	1.1
401.27042	1.8
427.24838	2.8
445.25906	58.2
446.26239	9.6
459.27612	0.5
505.27850	100.0
505.34088	12.0
506.28403	18.5
506.34650	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3015
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
51.11544	0.3
55.01876	0.6
57.03446	2.0
58.00579	0.6
59.01089	0.6
59.01379	10.6
61.98827	3.7
62.92368	0.3
68.99831	0.3
69.03470	0.3
70.21722	1.3
71.01385	15.7
72.01721	0.3
72.99310	4.5
73.02955	1.4
75.00880	14.1
78.95914	0.3
83.01391	0.8
84.02164	0.4
85.02957	18.2
86.03251	0.3
86.28595	0.3
87.00887	6.2
89.02443	4.2
95.01392	4.2
99.00890	8.2
101.02457	0.7
102.62119	0.3
103.00370	2.7
111.00902	0.7
113.02462	24.6
114.02794	0.8
115.00405	1.9
117.01961	1.8
118.21131	0.3
129.01918	1.9
131.03537	0.5
146.80019	0.3
157.01433	0.7
175.02486	2.9
193.03497	0.6
205.07185	1.9
223.08279	0.6
231.05107	0.7
249.06125	4.0
255.23277	67.5
256.23630	6.5
267.07166	5.3
445.27942	0.5
467.43011	0.3
487.29050	1.8
505.30136	100.0
506.30515	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
68.01701	0.4
68.27055	0.4
68.34453	0.4
70.92822	1.2
75.19451	0.4
78.95905	27.3
82.53984	0.4
96.96970	2.5
102.76498	0.4
118.28705	0.4
127.07583	0.4
135.05359	0.4
150.97997	0.4
152.99602	41.8
153.99911	0.7
171.00623	1.9
203.35855	0.4
211.27634	0.4
227.03230	4.8
228.03438	0.5
231.61935	0.4
245.04277	1.5
259.20486	0.5
277.21707	100.0
278.22043	11.6
303.63782	0.4
345.03809	0.5
413.20834	0.9
469.33511	2.0
469.39075	0.5
475.13373	0.4
505.25662	85.9
506.25989	14.8
506.33536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.02776	0.4
57.03443	0.8
58.00591	1.4
59.01376	18.9
61.98830	9.6
65.00324	0.4
65.02364	0.4
69.65760	1.8
69.66180	1.1
71.01379	12.9
72.99327	1.4
73.02952	5.1
75.00864	1.2
81.03478	1.2
81.61878	0.4
83.01379	2.3
85.02952	6.1
86.03742	1.2
87.00890	1.8
87.04528	1.6
88.98820	1.0
89.02441	8.4
90.02753	0.5
91.01920	0.5
93.03473	1.8
95.01376	0.8
95.05064	0.9
97.02985	1.2
97.06587	0.4
99.00915	1.1
101.02444	7.9
102.26244	0.4
103.04042	0.7
107.01402	0.8
107.05050	0.5
109.02982	0.8
109.06551	0.6
113.02469	4.1
114.42847	0.5
116.92880	0.5
117.05603	0.5
119.03531	2.9
119.05015	3.3
121.02985	0.7
121.06537	0.4
123.04537	0.6
125.02467	1.3
131.03485	1.0
133.02988	0.6
135.04488	0.6
135.06642	4.9
135.08244	0.6
137.02457	0.9
137.09746	2.2
143.03496	1.1
145.02991	1.3
147.00784	0.5
149.02480	2.5
149.04597	0.4
151.00362	3.7
155.10785	13.2
156.11133	0.7
161.02495	0.9
161.04567	0.8
163.04066	0.7
163.11290	3.8
164.04784	2.2
165.02036	0.7
173.04567	0.5
175.00369	3.6
175.04005	0.8
177.01891	0.6
177.12871	1.2
178.99911	0.6
179.03404	0.6
179.05661	0.9
181.12354	36.5
182.12718	2.6
183.02425	0.4
190.02742	9.1
191.03528	1.5
192.04254	0.4
195.13924	12.0
196.14316	1.1
199.09747	6.5
200.10191	0.5
205.05070	8.4
207.10333	1.0
209.04611	0.7
217.13258	0.4
223.06113	2.3
223.13388	3.0
225.11322	10.7
226.11711	0.5
241.10811	0.6
241.76810	0.4
267.12418	1.1
271.03058	0.7
271.06036	6.6
272.06464	0.8
279.10962	0.8
297.12103	1.7
300.02966	0.8
325.11386	0.8
343.14001	0.5
399.26501	0.4
439.29703	0.5
445.20163	0.7
487.21729	1.2
505.17908	7.9
505.23135	100.0
506.17795	1.5
506.23465	15.8
506.30505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
57.03453	1.2
58.00600	1.0
59.01096	1.4
59.01377	22.4
60.99298	2.2
61.76912	0.7
61.98527	1.3
61.98829	20.6
69.28088	2.1
69.28491	6.1
70.23285	0.8
71.01377	18.6
72.99299	1.3
73.02938	4.5
75.00851	1.1
80.46495	0.8
80.91705	1.9
81.03480	1.8
83.01384	2.8
85.02958	10.1
87.00876	5.0
88.98812	26.8
89.02454	8.8
93.03465	42.4
94.03806	1.4
95.01390	3.5
96.99297	1.3
98.20622	1.9
99.00897	2.0
101.02449	12.9
107.01405	1.2
107.05032	1.5
108.02184	64.9
109.02995	16.6
110.03349	0.9
111.00869	1.4
111.08161	0.8
113.02471	6.9
115.77076	0.8
115.92044	0.9
117.03509	1.0
119.03480	1.8
119.05034	5.9
119.51417	0.8
121.02956	4.3
121.06615	1.9
121.10228	1.0
123.00865	1.0
123.04500	2.0
124.01636	1.4
125.02461	2.4
131.03549	4.9
133.02975	1.8
134.03763	4.7
135.04556	2.2
136.01689	6.7
137.02455	100.0
137.09753	1.1
138.02795	3.6
143.03564	1.2
145.02910	2.4
147.04480	2.3
147.08174	4.2
149.02429	1.3
149.04547	2.3
149.06088	1.6
149.09752	1.3
151.00385	2.2
151.04012	4.1
152.01161	43.6
153.01955	14.3
155.10832	1.3
159.03008	1.3
160.01727	1.6
160.08832	0.8
161.02440	2.3
161.04576	3.1
161.05937	1.3
161.09705	2.3
162.01920	1.1
163.04024	5.9
163.11304	52.1
164.04626	0.7
164.11650	3.0
167.10812	1.4
175.04031	1.3
175.11305	11.4
176.11575	0.9
177.05525	1.2
177.12851	1.3
178.99858	1.6
179.03500	12.5
181.12305	1.7
183.10503	0.9
183.83626	0.9
187.11247	5.0
190.02727	2.7
191.03561	1.0
191.05630	2.1
191.10835	1.2
192.00658	0.9
193.05084	5.9
193.08638	0.8
199.09720	1.2
205.05014	2.1
205.10509	1.5
205.12341	21.4
206.05571	0.8
206.12714	1.9
209.04579	4.1
221.04671	1.2
223.06041	1.0
225.11290	2.9
226.11662	1.8
227.11865	1.5
239.05618	9.5
240.06068	1.1
241.01129	1.0
242.02213	1.2
242.05772	1.1
243.02994	1.2
270.01526	1.4
271.02402	5.2
272.03171	3.9
281.06659	53.4
282.07010	3.9
298.01233	1.2
299.02029	7.2
299.07748	2.1
300.02560	1.2
313.16455	3.5
316.02243	2.9
317.02823	1.6
327.14481	1.0
337.09158	1.1
341.08771	72.1
342.09064	7.0
445.20462	2.3
487.19702	46.4
488.20145	7.1
488.26608	1.1
505.13290	55.7
505.20905	16.4
505.26379	2.2
506.13651	10.6
506.21170	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	505.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62691	0.8
55.01884	0.8
57.03447	2.4
59.01378	29.9
61.98567	1.0
61.98835	12.0
66.65424	0.8
69.64548	1.8
69.64958	3.9
71.01383	29.3
72.99307	2.1
73.02953	5.3
75.00875	6.7
76.83349	0.7
83.01397	3.0
85.02957	10.3
87.00896	4.2
89.02450	26.9
93.03470	21.9
95.01397	1.8
96.99329	3.6
97.70960	0.9
98.19854	1.1
99.00892	2.6
101.01786	1.2
101.02447	21.1
101.03093	1.5
102.98582	0.8
109.02983	1.6
111.00869	1.3
113.02463	12.3
115.00397	1.1
115.04000	0.8
116.44399	0.8
116.92860	6.6
117.03440	1.5
117.92885	2.7
118.92696	3.3
119.03528	12.5
119.05021	8.7
121.02966	13.5
123.04538	1.2
125.02445	2.2
127.44227	0.8
129.01958	3.2
131.03528	2.9
131.05031	2.9
133.02969	3.8
135.04523	2.1
137.02460	19.7
138.02849	1.2
139.36008	1.0
143.03505	3.0
143.05025	13.9
145.03008	1.0
149.04512	1.4
151.04001	1.1
161.02425	2.2
161.04585	9.2
163.04015	8.0
171.04559	1.7
177.04070	4.9
179.03799	1.7
179.05617	28.4
179.07205	1.5
180.06024	1.1
191.05550	1.1
195.05113	10.5
209.08235	2.7
211.07663	7.1
220.33858	0.8
221.06691	7.6
221.09718	1.6
222.06776	0.9
223.07739	1.2
235.07663	1.6
237.09250	5.7
249.06076	1.0
265.08661	16.6
266.08963	1.5
309.07596	4.0
313.10318	2.5
327.08734	100.0
328.09039	10.0
445.17352	15.8
446.17258	1.8
505.13016	8.7
506.13779	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	505.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37197	1.0
57.03444	2.9
59.01103	1.7
59.01376	24.2
60.99301	10.7
61.98826	26.4
69.20971	1.4
69.21370	11.0
71.01382	21.4
72.99301	2.0
73.02934	6.2
75.00886	2.2
78.51568	0.9
80.91681	2.1
81.03448	1.6
83.01396	3.1
83.05043	1.6
85.02955	9.8
85.98849	1.0
87.00885	4.3
88.98809	73.8
89.02445	15.7
89.99135	1.4
93.03465	42.3
94.03827	1.6
95.01390	2.4
96.99313	1.9
97.02943	1.6
99.00894	2.8
100.41026	1.0
101.02452	16.0
107.05042	2.3
108.02184	44.9
109.03001	10.1
113.02464	9.3
115.92056	1.0
117.03426	1.1
119.03539	2.1
119.05039	7.1
121.02958	3.4
121.06592	2.9
121.10234	0.9
122.03767	0.9
122.97261	0.9
123.00851	1.3
123.04539	3.3
125.02448	3.4
131.03545	5.4
133.02924	1.9
134.03741	3.6
135.00845	1.9
135.04520	2.3
136.01688	6.8
137.02455	100.0
137.09714	1.6
138.02794	3.4
139.11264	1.2
145.02972	2.1
147.04491	3.2
147.08173	4.1
149.02461	1.7
149.04547	3.9
149.09735	1.8
151.00383	3.4
151.04007	3.5
152.01169	29.0
153.01950	7.3
155.10797	2.2
160.01706	1.8
160.04054	1.6
161.02463	2.8
161.04630	4.7
161.05890	1.4
162.03278	1.5
163.04004	7.0
163.11301	55.2
164.11574	3.4
165.01785	1.4
167.10808	1.4
175.03984	2.3
175.11293	11.0
177.05582	1.3
177.12918	1.1
178.99940	1.3
179.03513	15.7
179.10728	1.3
181.12364	2.0
187.11267	5.8
189.02011	0.9
189.05501	1.3
190.10069	1.1
191.03456	1.3
191.05623	2.0
191.10815	1.4
193.05048	4.0
193.08760	1.2
199.09776	1.6
204.11551	1.2
205.05031	1.2
205.10535	1.9
205.12340	23.2
206.12654	1.5
209.04547	4.2
209.11816	3.3
221.04475	1.9
223.06061	1.3
225.11292	3.3
239.03297	1.6
239.05608	13.0
242.05763	1.1
243.02963	1.1
243.12360	1.3
255.02945	1.5
270.01614	1.3
271.02481	3.8
272.03415	2.1
281.06662	55.1
282.07016	3.1
299.01984	6.6
299.07648	2.8
300.02444	1.4
302.18085	1.1
302.80124	0.9
313.16425	2.2
316.02240	3.4
329.41608	1.2
341.08762	66.2
342.09100	6.9
342.82294	1.1
445.20871	3.7
461.18396	2.8
487.09021	1.8
487.19730	46.5
488.20139	8.3
500.11292	1.1
505.13272	31.3
505.21109	17.0
505.26907	3.4
506.13797	6.5
506.21008	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	505.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
57.03433	1.7
58.00594	0.6
59.01377	20.5
61.98829	7.8
69.03448	0.8
69.25573	5.4
71.01385	18.4
72.99310	1.5
73.02956	3.2
75.00875	14.5
81.51126	0.4
83.01392	1.3
85.02962	6.9
87.00887	5.9
88.98798	0.7
89.00637	0.5
89.02455	15.0
90.02803	0.5
93.03467	18.5
95.01365	1.2
96.99311	3.5
97.02944	0.6
99.00887	2.0
101.02454	11.6
111.00907	0.9
113.02456	6.8
115.04018	0.6
116.92850	3.6
117.01921	0.6
117.03471	1.1
117.92873	1.7
118.92690	2.0
119.03547	5.1
119.05038	12.1
120.05412	0.5
121.02971	25.3
122.03333	1.1
123.04517	1.1
125.02467	0.8
129.01968	7.2
131.03494	1.7
131.05031	3.1
133.03000	3.1
135.04555	5.7
137.02467	8.7
138.01956	1.0
141.01952	1.4
143.03554	1.7
143.05032	12.0
145.02945	1.8
145.06593	0.9
147.04501	0.9
158.03729	0.6
159.03021	2.7
159.04367	0.5
160.36911	0.5
161.02483	1.3
161.04562	5.1
163.04019	9.8
164.04433	0.8
171.04518	1.5
177.04054	4.8
179.05615	18.5
180.05989	0.6
193.05064	0.6
195.05106	36.0
196.05440	1.7
211.07625	7.2
212.07883	0.6
221.06657	3.4
221.09666	0.7
223.07770	1.2
235.07655	1.9
237.09152	5.2
239.10532	0.8
255.10567	0.6
255.91118	0.6
265.08676	16.9
266.08960	1.2
283.09616	1.0
309.07651	5.1
310.08005	0.5
323.09818	3.7
327.08737	100.0
328.09055	9.9
445.17966	7.2
505.13412	11.7
506.13843	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	505.156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.9
61.98817	1.3
67.84537	0.4
69.58524	3.7
69.58880	0.5
71.01388	6.9
72.97537	7.4
72.99297	0.5
73.02959	2.1
75.00887	0.7
83.01411	0.5
85.02943	2.4
87.00888	0.7
89.02452	5.5
93.03430	0.8
98.19940	0.6
101.02450	5.2
109.02970	0.4
109.75734	0.4
113.02447	2.2
114.58797	0.4
118.68318	0.4
119.03506	2.2
119.05019	1.1
121.02966	10.5
125.02460	0.6
129.01936	0.6
132.02156	1.1
133.02968	30.1
134.03598	0.9
134.97604	2.2
135.04539	15.6
136.04865	0.7
143.05006	0.6
149.06110	1.1
161.02457	100.0
162.02794	4.9
163.04008	0.7
177.05602	1.9
179.03517	12.5
179.05608	1.6
181.07178	3.7
195.05052	2.1
221.04558	2.6
221.06512	0.7
237.09303	0.8
251.05539	1.5
270.69897	0.4
281.06717	3.0
323.09747	1.3
327.08640	4.5
341.08942	0.9
343.12512	0.9
370.63184	0.5
384.64755	0.4
437.02911	0.5
443.08963	0.5
467.69778	0.5
487.16595	1.2
500.98080	0.4
505.15601	91.1
506.15976	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	505.1559
Annotation	CHEBI:69792
Peak:m/z	Relative Intensity
57.01942	0.3
59.01377	6.6
61.98824	0.3
69.90237	1.7
71.01386	4.2
71.01763	0.4
72.97533	0.6
72.99332	0.3
73.02954	0.6
75.00837	0.3
83.01369	0.3
85.02970	1.2
89.02446	4.0
101.02446	3.9
105.03487	0.4
107.05064	0.3
109.02937	0.4
113.02464	1.3
117.03460	0.9
119.03505	1.2
132.02205	1.3
133.02969	25.8
134.03288	0.7
135.04536	14.3
136.04924	0.5
137.02452	0.5
149.06111	0.6
159.04849	0.3
161.02458	100.0
162.02786	5.8
163.06133	0.7
167.80513	0.3
176.96861	0.3
177.05519	1.5
178.04086	0.3
179.03503	13.0
180.03856	0.8
181.07179	2.7
197.04596	0.6
221.04564	2.0
251.05632	0.9
281.06473	1.6
327.08826	0.8
341.08847	0.7
343.12408	0.4
456.08139	0.4
505.15588	73.6
506.08380	0.6
506.15936	10.5
511.21091	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46296	0.9
55.01877	4.1
57.03437	4.5
58.00577	1.4
59.01102	1.9
59.01378	24.7
60.99279	1.2
64.90127	1.1
69.42823	1.0
69.67936	6.5
71.01382	52.0
72.97548	1.5
72.99319	1.9
73.02952	17.0
75.00890	4.7
78.95911	6.0
83.01393	9.0
85.02954	26.4
87.00890	3.3
87.04521	1.5
88.98828	2.0
89.02445	8.3
93.03474	2.2
95.01395	5.2
96.96017	2.5
96.96986	4.1
97.02964	2.0
99.00917	7.5
101.02448	40.5
101.03107	2.5
102.02857	1.2
107.05042	1.1
109.02921	1.8
113.02460	19.5
117.03471	2.3
119.03519	2.5
119.05048	2.8
129.01973	2.2
133.02968	25.0
135.04543	15.7
136.59399	1.1
137.02512	2.9
143.03487	2.9
145.01414	1.6
149.06146	1.4
158.30444	1.1
158.92514	4.0
159.03004	4.3
161.02464	97.1
161.04506	25.4
162.02823	5.0
163.04092	1.9
163.06151	9.6
164.03877	1.4
177.04095	1.3
177.05638	1.6
179.03477	11.9
181.07185	3.2
191.05659	2.8
195.05109	5.8
221.04575	1.8
225.59903	1.1
237.09250	2.2
255.10304	3.0
269.10263	18.1
277.65274	1.1
281.06506	1.7
313.09283	100.0
314.09604	8.5
323.13342	1.7
327.08743	9.3
505.15613	83.1
506.15924	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	505.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.0
59.01377	38.7
61.98827	24.2
69.03449	1.6
69.47190	12.3
71.01379	21.1
72.99314	4.4
73.02943	8.9
75.00871	8.8
81.29442	1.5
83.01398	3.3
83.05070	1.7
85.02961	12.3
87.00887	5.3
87.04582	1.7
88.98810	4.4
89.02455	11.3
91.01891	7.5
93.03472	9.2
95.01411	3.1
95.05062	2.1
96.05454	1.4
97.02976	2.8
98.20605	3.1
99.00903	3.9
99.04530	2.3
101.02449	12.6
107.80700	1.4
108.02202	5.0
109.02989	12.2
113.02455	11.5
115.00387	2.1
116.92868	1.8
117.03467	4.0
119.03536	3.6
119.05057	8.0
121.02974	6.0
122.03763	21.9
123.04546	20.6
124.01650	2.3
125.02468	29.6
126.02757	1.7
129.01952	3.0
131.03532	1.3
132.02179	18.6
133.02968	8.7
134.03764	16.1
135.00864	3.4
135.03008	5.3
135.04523	7.0
135.11813	5.2
136.01685	2.5
137.02475	14.5
137.09695	1.9
139.04065	2.0
143.03560	1.4
145.02954	12.1
147.04509	1.9
149.02435	2.8
149.04582	2.7
149.06116	4.0
149.46030	1.3
149.99594	1.5
150.49908	1.5
151.04037	23.4
152.01149	2.5
153.01978	4.6
153.09210	2.6
155.10802	6.7
159.02956	2.2
159.04469	2.0
160.01672	93.1
161.02455	30.4
161.04533	2.6
161.06046	2.9
161.09718	2.1
162.02884	3.1
163.00362	2.0
163.04022	6.1
163.06152	3.2
164.01155	2.7
165.01942	3.8
167.03502	3.3
168.00624	3.0
173.04604	2.0
175.04010	100.0
176.04329	7.9
177.01906	6.5
177.04002	5.6
177.05470	2.4
178.99986	3.3
179.03470	8.3
179.10785	19.0
181.01457	2.2
181.07176	11.3
181.12379	3.1
185.06186	1.5
185.11868	7.5
190.02708	1.3
191.05606	2.5
193.05058	10.5
195.05066	3.1
199.09776	4.7
201.05476	1.5
203.03575	1.7
203.07115	3.9
205.05038	4.4
216.71289	1.5
217.05153	1.5
221.04538	1.5
223.09669	1.3
225.11299	3.8
229.05055	4.1
235.05962	1.8
241.05032	1.6
245.08217	4.8
257.08224	1.7
271.01767	1.7
271.06100	11.4
283.05099	2.1
287.05637	2.1
289.07217	20.7
290.07483	4.1
299.09341	2.0
323.07718	2.5
337.09201	12.8
338.09561	2.0
341.06653	1.5
343.12054	4.9
387.16714	7.7
388.17047	1.9
407.07785	3.9
408.08267	2.0
433.09604	1.5
433.24527	8.4
445.24606	2.4
461.14520	91.6
462.14844	12.7
473.10495	2.2
505.10199	14.3
505.19220	23.8
505.26202	3.0
506.19800	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	505.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35840	0.3
56.30194	0.4
57.03431	1.3
59.01376	12.3
60.28823	0.3
61.98828	12.4
63.02388	1.9
65.00316	4.9
71.01382	7.2
71.59229	0.5
72.99297	1.2
73.02965	2.2
75.00877	3.1
81.03439	0.4
83.01388	4.1
85.02949	3.3
87.00881	1.6
88.98805	1.6
89.02439	5.4
91.01897	0.5
93.03461	7.9
95.01357	0.6
95.05013	0.8
97.02924	0.9
99.00876	1.1
101.02453	4.4
102.98614	0.8
107.01397	8.2
108.02220	0.4
109.02959	1.7
111.00890	1.5
111.04539	0.4
111.19601	0.4
113.02463	3.0
115.00398	0.5
116.92809	0.4
117.03471	1.0
119.03532	1.6
119.05035	29.7
120.05383	1.4
121.02970	1.3
123.04547	2.4
125.02460	5.0
129.01939	1.4
131.03525	0.8
133.01468	0.5
133.02980	0.8
134.03757	0.5
135.00879	0.5
135.04482	0.6
136.04941	0.4
136.07626	0.4
137.02446	2.7
137.09665	0.5
139.04070	0.4
139.11311	0.6
140.79420	0.3
143.03432	0.6
145.02971	4.6
149.02458	1.0
149.04558	1.5
151.00380	34.3
151.03946	2.9
152.00758	1.0
153.01927	1.0
153.09193	1.5
155.10747	2.2
156.11179	0.5
159.02974	0.9
161.02463	3.0
161.04587	1.3
161.05974	0.7
162.02808	0.7
163.00443	0.7
163.04018	1.6
164.01154	0.8
165.01961	2.5
167.03522	0.6
167.10730	0.4
169.01431	1.3
173.04575	1.0
175.00343	1.1
175.03996	1.0
177.01932	5.7
177.04057	1.4
177.05466	0.5
178.02306	0.5
178.99893	0.5
179.03493	1.3
179.05624	1.2
179.10780	1.0
181.07123	0.5
181.12294	0.6
183.10266	0.5
185.06007	0.5
187.03903	0.5
191.03535	0.5
191.05602	1.0
193.01413	0.7
195.05122	0.7
196.71739	0.4
197.09819	0.4
199.07759	0.5
199.09685	0.8
203.07089	0.7
205.05052	1.0
208.16942	0.4
211.07675	1.4
225.11325	0.7
227.03537	0.6
227.07060	0.9
229.04950	1.1
239.10712	0.4
243.03038	0.7
245.08199	0.6
255.03023	1.0
255.10580	0.5
255.82498	0.3
260.53333	0.4
267.10913	0.4
271.02753	4.0
271.06085	100.0
272.03445	0.6
272.06427	9.8
281.06723	0.5
283.04932	0.5
283.09674	0.4
283.82803	0.4
289.07153	3.5
295.05978	0.8
295.10999	0.7
299.01990	1.3
300.02771	5.6
301.03403	2.2
302.03830	0.6
307.08228	1.3
313.07043	1.3
313.10388	0.4
323.10388	0.9
387.16422	0.4
399.11908	0.9
407.08179	0.5
433.11493	0.9
433.24307	1.0
462.17642	0.4
473.15323	0.4
505.09738	3.1
505.17529	2.8
505.26248	2.3
506.10156	0.5
506.17444	0.4
506.26926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08305	0.5
59.01372	3.7
61.98830	0.9
65.00323	1.4
65.03982	0.6
67.01891	0.6
69.38144	4.2
69.38551	1.0
71.01373	2.3
73.02937	0.5
75.00868	1.7
84.70210	0.6
85.02957	1.3
88.98835	0.7
89.02470	0.9
90.05273	0.5
91.01897	90.8
92.02245	3.5
93.03441	1.6
101.02428	1.5
109.02962	2.2
113.02445	1.3
117.03513	1.4
118.85041	0.5
119.05038	6.3
120.05411	0.8
121.02947	0.7
123.04514	1.7
125.02411	0.8
132.05814	0.5
133.06601	2.3
135.00894	38.3
136.01266	1.9
137.02478	1.1
137.06131	0.6
139.11263	0.5
145.02956	6.1
147.04550	0.6
149.02397	1.2
150.41991	0.5
151.03976	0.8
153.01952	15.4
155.10760	0.8
160.01608	0.6
161.02490	0.6
161.06085	3.7
163.04008	6.5
164.04622	0.6
175.04007	1.1
177.05574	1.6
178.99870	100.0
180.00218	4.9
181.12398	2.5
183.10283	0.5
190.02724	1.7
197.00937	10.7
198.01241	0.6
198.24600	0.5
205.05078	5.5
221.00821	1.1
223.13287	0.8
225.11346	2.9
235.06219	1.0
239.01929	0.6
265.07111	1.8
283.06113	0.9
296.89920	0.7
300.02719	1.0
331.12155	0.6
337.09152	0.8
341.05087	0.9
359.06143	3.8
393.04355	0.5
418.83948	0.5
487.08740	2.2
487.19827	1.0
505.09860	76.2
505.18488	7.4
506.10181	13.0
506.17599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01381	5.9
61.98819	3.9
65.00330	1.3
65.03964	1.0
67.01918	0.4
71.01390	3.4
71.62344	0.4
72.99319	0.5
73.02939	1.5
75.00881	0.7
83.01378	0.4
85.02942	1.6
87.00884	0.4
87.04507	0.5
88.98801	3.3
89.02435	2.4
90.83784	0.3
91.01899	81.2
92.02230	3.1
93.03454	1.3
97.02898	0.4
99.04517	0.4
101.02445	2.1
107.01401	0.6
109.02946	3.4
113.02473	1.7
117.03474	2.1
119.03587	0.4
119.05038	9.1
120.05333	0.9
121.02967	1.4
123.02719	0.5
123.04525	1.2
125.02454	1.0
132.05809	0.8
133.02950	0.8
133.06613	2.4
135.00899	37.0
135.04460	0.8
135.06648	0.8
136.01216	1.6
137.02440	1.6
145.02966	10.9
145.04106	0.6
146.03307	1.2
149.02477	0.7
150.05780	0.3
151.00310	0.5
151.02246	2.1
153.01950	17.1
154.02255	0.8
155.10754	1.5
155.11935	0.3
156.11122	0.7
160.01707	0.8
161.02411	1.4
161.06067	5.1
162.03116	0.6
162.06369	0.5
163.04027	8.6
163.11311	0.6
164.04332	0.8
171.33797	0.3
173.04741	0.3
175.04033	1.0
177.01883	0.4
177.05545	1.3
178.05905	0.5
178.99867	100.0
180.00211	4.8
181.12346	4.5
187.04102	0.7
193.05003	0.4
195.01231	6.6
196.01526	0.7
197.00914	48.2
198.01297	2.4
199.09825	0.6
205.05060	5.3
206.05423	0.4
221.00888	0.5
225.11313	2.1
227.03592	0.6
235.06184	2.0
236.06450	0.5
237.06369	0.5
239.00117	2.1
255.02959	0.6
265.07147	4.4
266.07529	1.7
267.07693	1.2
271.02417	0.8
284.03189	0.7
285.03973	0.7
287.05573	0.4
297.11890	0.5
300.02609	0.6
318.12320	0.3
323.04324	0.6
341.05136	1.5
359.06497	1.8
431.09671	1.2
432.10019	0.4
443.09753	0.7
461.22253	1.3
466.54935	0.4
487.08853	0.8
487.19885	1.2
505.09830	72.2
505.21796	9.1
506.10068	12.0
506.23172	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90974	0.1
59.01376	0.4
61.98829	100.0
62.98548	0.2
70.89703	0.1
74.96412	0.1
78.95925	0.4
91.99303	0.1
116.92093	0.1
116.92863	0.3
127.21789	0.1
141.78763	0.1
148.63536	0.1
152.99626	0.5
158.40987	0.1
164.19559	0.1
186.44026	0.1
198.93790	0.1
209.98892	0.1
223.51134	0.1
229.49811	0.1
277.21753	1.5
356.39957	0.1
469.33725	0.2
504.34491	0.3
505.25638	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.9
61.98830	1.8
62.18846	0.6
65.00330	0.9
67.30984	0.5
69.54176	1.7
69.54575	2.7
71.01391	1.4
73.02939	1.8
83.01394	1.5
85.02940	1.0
87.55347	0.5
89.02441	0.7
93.03461	1.8
99.00894	0.9
101.02440	0.8
107.01396	3.0
108.02198	1.9
108.59644	0.7
109.02980	2.0
111.00857	0.8
113.02471	0.8
119.05039	2.0
121.02994	0.9
123.04562	0.6
124.00782	1.0
125.02433	1.0
133.02986	0.6
135.00926	0.7
135.72855	0.6
137.02490	1.2
139.03951	0.5
145.02962	0.8
148.01648	1.7
151.00388	11.4
152.01097	0.9
155.10864	0.6
161.02489	1.6
163.00334	3.4
163.04059	1.3
165.01965	0.8
170.15541	0.6
175.04007	0.8
177.01920	1.3
178.99886	6.0
179.10783	1.0
191.03552	0.6
192.00662	0.6
199.04015	1.1
205.05237	0.7
211.04156	1.0
215.03445	0.8
226.02692	4.4
227.03555	3.9
228.04099	0.8
243.02963	17.1
244.03328	1.5
245.04565	1.1
249.06076	1.0
254.02176	5.5
255.02953	25.4
256.03384	2.6
257.04257	0.8
271.02466	75.8
271.05899	4.1
272.02905	8.3
283.02362	1.2
299.01971	1.6
300.02750	100.0
301.03461	40.5
302.03900	2.3
389.38885	0.6
463.08627	2.4
505.09851	89.9
505.22641	4.8
506.10208	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	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83586	0.6
57.03443	2.2
59.01376	15.0
60.99306	0.9
61.98819	4.2
71.01395	1.2
71.04984	0.9
71.59209	1.0
72.99307	0.8
73.02947	6.4
75.00839	1.0
78.95906	1.0
83.05050	0.6
85.02972	0.7
85.11283	0.7
95.05017	0.6
121.02958	1.0
140.84509	0.6
151.11252	0.7
191.05650	0.9
216.20828	0.7
325.21692	3.9
325.25500	2.1
326.25757	0.7
355.26355	6.6
363.26675	0.9
381.28076	3.1
382.28549	0.8
385.24142	0.8
397.27570	3.5
399.24945	0.9
399.29453	1.0
423.32581	2.4
425.26663	4.0
441.34082	2.0
443.27939	34.1
444.28351	6.1
445.33099	2.2
446.34149	0.8
455.27533	0.8
469.33038	0.9
485.32904	6.4
501.32138	0.7
503.33588	100.0
504.33856	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	504.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94355	0.2
57.03445	0.3
59.01376	3.0
60.99312	1.2
61.98828	100.0
69.03456	0.2
69.30759	2.5
69.31068	0.2
71.01376	2.3
72.99298	0.5
73.02951	0.9
74.02476	0.4
75.00869	0.6
80.18213	0.3
81.43649	0.2
83.01424	0.4
85.02933	1.1
87.00895	0.9
88.00412	0.5
88.98811	7.5
88.99337	0.4
89.02440	1.9
89.42427	0.2
93.03462	2.4
94.03791	0.6
94.18285	0.3
95.01403	0.3
95.46457	0.2
97.02949	0.4
97.06607	0.3
98.19855	0.4
99.00886	0.3
101.02463	1.1
109.02956	0.4
113.02471	1.0
116.04663	0.2
116.92064	0.4
116.92870	3.0
117.03472	0.7
117.92899	0.4
118.98129	0.3
119.03548	0.7
119.05001	1.2
121.02969	0.5
123.04546	0.4
125.02483	0.7
133.03043	0.4
134.03792	0.4
135.04451	0.2
136.01718	0.2
137.02499	0.8
145.02980	3.6
146.03394	0.3
149.04523	0.3
151.00394	0.7
151.04079	0.9
153.01953	2.8
153.09265	0.5
155.10805	0.6
159.03075	0.3
160.01744	0.5
161.02405	1.0
161.06166	0.3
163.04077	1.2
173.04520	0.5
175.04073	0.9
176.04436	0.3
177.01996	0.5
177.04092	0.4
178.08893	0.3
179.03561	0.5
179.05692	0.5
179.10832	0.2
180.06807	0.4
190.02782	0.3
193.05115	0.2
195.05177	0.3
205.05153	0.6
222.07710	0.2
235.06142	0.4
239.11710	0.2
249.06268	0.4
265.07306	0.8
323.10165	0.4
325.09338	0.8
337.09579	0.4
343.12061	1.0
357.12057	0.6
367.10321	5.0
368.10760	0.6
433.24609	0.5
441.14365	1.0
504.15866	1.2
505.18060	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.9
59.01379	3.4
60.99306	0.4
61.98823	3.2
67.85141	0.2
69.03455	0.5
70.81256	0.5
70.81625	0.4
71.01375	0.5
71.05023	2.4
73.02964	1.5
75.00867	0.3
78.95937	0.5
83.05047	0.8
85.02975	0.4
86.03340	0.2
87.04521	0.4
93.03477	0.7
97.06622	0.3
109.06619	0.5
111.04556	0.3
113.06698	0.2
116.92855	0.2
121.06707	0.2
123.04629	0.2
125.09779	0.3
133.03033	0.3
137.02460	0.5
140.01300	0.2
172.05345	0.3
173.04564	1.1
191.05713	0.5
201.05731	0.2
209.11858	0.7
215.03540	0.3
229.05096	0.6
230.05865	0.4
255.03014	2.0
256.03568	0.3
273.07669	1.0
283.13443	0.5
284.13705	0.3
289.18198	0.2
339.23242	0.3
353.24991	0.3
357.07870	0.2
369.28146	0.4
372.10260	0.3
373.11008	1.0
381.24161	0.3
383.05521	0.4
385.27774	0.4
387.29199	0.3
389.30579	0.3
399.25604	0.8
400.26041	0.3
411.28690	0.4
413.27097	0.7
415.11954	0.4
417.13428	1.5
421.31219	0.4
423.28946	0.4
427.08237	0.3
431.28323	0.6
435.29163	0.9
439.32474	0.7
441.34189	0.5
442.09921	0.3
443.28122	1.3
443.33286	0.3
453.30280	0.5
457.12668	0.3
457.33246	0.7
459.14627	0.8
459.35089	2.1
460.35486	0.5
467.11621	0.7
485.12460	2.4
485.32785	9.2
486.13043	0.6
486.33334	1.9
502.71420	0.6
503.13846	7.7
503.33960	100.0
504.13928	1.9
504.34280	20.0
529.31982	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	503.3389
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
53.67967	0.2
53.79656	0.2
55.01875	0.2
57.03421	0.3
59.01376	6.5
60.01714	0.3
61.98827	4.4
66.13918	0.2
71.01384	2.5
71.05007	0.3
72.00923	0.4
72.38238	0.2
72.99306	0.3
73.02964	0.8
75.00895	0.4
83.01411	0.3
83.67276	0.2
85.02954	1.0
87.00891	0.8
87.04519	0.2
88.98797	0.2
89.02446	1.2
93.03474	0.8
95.01386	0.3
97.02971	0.2
98.20764	0.3
99.00903	0.3
101.02441	1.3
101.58641	0.2
109.03005	0.2
111.00938	0.2
113.02465	1.1
117.03476	2.8
118.03805	0.9
119.04207	0.4
119.04975	1.2
120.05364	0.4
121.02975	0.5
123.04559	0.7
125.02496	0.3
132.02202	0.7
133.02975	0.6
134.03741	0.9
135.04318	0.3
137.02480	0.9
143.03552	0.2
145.02965	11.1
146.03302	5.3
146.04382	0.4
147.03493	2.3
148.03793	0.2
149.06012	0.2
151.00325	0.3
151.04059	0.3
155.10794	0.3
160.01662	3.6
160.02867	0.3
161.02312	0.9
161.06085	0.2
163.04021	1.0
164.04413	0.6
165.04579	0.2
165.09230	0.7
168.03123	0.3
173.04568	0.3
175.04036	3.5
176.04468	0.8
177.02005	0.2
177.04359	0.5
179.03508	0.4
181.12399	0.8
183.13942	0.3
187.04102	0.3
189.02023	0.2
190.06404	0.2
191.05672	0.2
193.05020	1.2
194.05371	0.3
204.20230	0.2
204.63275	0.2
207.06697	0.3
217.01530	0.2
224.72020	0.2
225.11435	0.5
229.59695	0.3
235.06207	0.3
255.03020	0.3
261.65817	0.2
265.07220	0.2
271.05875	0.3
279.91336	0.2
282.01776	0.2
285.04068	0.8
295.10291	0.2
307.08350	0.2
309.08722	0.4
312.10034	0.2
314.04092	0.2
323.13211	0.2
337.09384	0.9
338.09634	0.5
339.09943	1.0
341.06830	0.3
341.13974	2.0
349.25424	0.3
379.26575	0.3
379.40948	0.2
407.25818	0.3
425.30533	0.5
443.26437	0.4
457.29996	0.4
459.31125	1.2
465.11945	0.2
473.28888	1.1
474.30353	0.2
485.12524	0.4
503.14417	1.5
503.33887	100.0
504.34225	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	503.3374
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
54.63681	0.1
57.03440	1.0
59.01104	0.2
59.01374	2.9
60.99295	0.2
61.98827	4.9
69.03442	0.2
70.68391	0.1
71.01375	1.6
71.05032	0.7
73.02940	0.8
75.00869	0.2
83.01375	0.2
83.05003	0.2
84.69501	0.1
85.02960	0.7
87.00870	0.4
88.98817	0.4
89.02473	0.7
93.03461	0.9
95.05009	0.2
97.02953	2.6
99.00896	0.3
101.02446	1.0
106.06635	0.3
107.06969	0.2
108.02179	0.1
109.02984	0.2
109.06573	0.2
113.02472	0.6
117.03484	0.4
119.03522	0.3
119.05023	0.3
121.02960	0.2
121.14110	0.2
122.06091	0.1
123.04533	0.1
123.08116	0.1
125.02423	0.2
129.45363	0.1
133.02875	0.1
135.04602	0.2
137.02473	0.3
145.01953	0.2
145.02951	1.0
146.03178	0.2
150.05621	0.2
151.00346	0.3
152.07167	0.4
159.02953	0.2
160.01642	0.2
161.04578	0.4
163.04004	0.3
168.00673	0.2
169.01361	0.2
173.04573	0.5
175.04036	0.3
177.09225	0.2
188.07199	0.2
191.05629	0.4
194.04507	0.1
199.18109	0.2
209.06003	0.2
209.15450	0.2
211.13548	0.2
229.61969	0.1
255.02931	0.4
271.06168	0.3
341.27011	0.1
347.23779	0.2
355.26260	0.1
367.26312	0.2
379.26419	0.3
380.49680	0.1
381.11563	0.2
393.28256	0.1
411.29022	0.4
423.29236	0.3
425.30643	0.1
435.29092	0.2
441.30096	0.3
443.25311	0.6
443.31662	0.3
449.14606	0.3
453.30173	0.5
457.33154	0.1
459.10449	0.2
460.18723	0.5
485.12595	0.4
485.32761	2.3
486.32822	0.4
495.17490	0.2
503.33731	100.0
504.34097	18.4
504.41916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3377
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.53001	0.2
57.03446	1.1
59.01361	0.8
60.99295	0.4
61.98832	1.4
71.01379	0.6
71.05014	0.9
71.32864	0.4
73.02947	3.2
73.05199	0.2
83.05035	0.3
87.04514	0.3
93.03449	0.2
109.06635	0.5
121.06544	0.3
137.02441	0.5
154.01088	0.2
154.02898	0.2
184.62000	0.2
218.83041	0.2
259.38489	0.2
343.26181	0.3
377.28436	0.5
383.29556	1.9
389.28494	0.6
392.27280	0.8
393.27597	0.3
399.29144	1.0
407.29578	3.0
408.30038	0.3
409.31235	0.5
413.27011	0.3
419.29324	0.5
421.31003	0.5
439.32129	0.9
443.23819	0.5
443.31897	0.4
453.30246	1.9
454.30334	0.4
455.27887	0.3
474.43726	0.3
485.32700	19.5
486.33142	3.3
503.33807	100.0
504.34192	17.7
504.42078	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45739	0.2
59.01359	0.7
61.98817	0.5
71.05009	0.2
71.60526	0.3
72.99313	0.3
77.86803	0.1
78.95911	0.2
140.76936	0.2
151.00299	0.2
184.15677	0.2
269.95251	0.2
309.06708	0.1
425.30753	0.5
427.32254	0.8
428.32416	0.2
429.33682	0.6
439.32217	1.0
440.32785	0.2
441.33548	0.6
441.39328	0.2
442.33511	0.3
457.33167	9.2
458.33636	1.5
459.34918	1.5
460.34940	0.3
467.31818	0.4
471.31152	0.3
473.31839	0.5
485.32697	3.1
486.33154	0.7
503.33719	100.0
504.34088	19.7
504.41925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41196	0.2
59.01371	1.0
61.98817	0.3
63.06871	0.2
71.05014	0.4
71.36308	0.4
72.99298	0.4
76.63457	0.2
122.46185	0.2
125.60986	0.2
191.14436	0.3
193.15839	0.3
214.98970	0.2
237.14928	0.4
336.18439	0.2
383.33417	0.2
397.48196	0.2
423.32813	0.9
425.30548	1.4
426.30887	0.3
427.32382	1.1
428.32419	0.3
429.33502	1.2
439.32028	0.8
441.33887	1.1
443.31833	0.8
457.33221	11.9
458.33704	2.0
459.34900	1.1
467.31686	0.7
469.33194	3.8
470.33539	0.6
485.32581	0.7
503.33743	100.0
504.34097	20.8
504.41959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03388	1.2
59.01328	0.7
60.99264	0.9
68.10775	0.4
69.31231	3.1
69.31634	0.8
71.04976	0.6
73.02895	0.4
83.05030	2.3
96.78094	0.3
101.02399	0.6
109.06603	0.7
111.78945	0.3
138.31346	0.3
201.05501	0.5
229.05063	0.8
230.05699	0.8
231.06599	0.4
257.04504	0.5
269.32373	0.3
273.07635	1.7
319.19150	2.4
320.19339	0.4
327.19632	0.5
333.20850	0.7
345.20721	5.3
359.22226	0.5
373.10730	1.2
379.26105	0.5
383.05463	0.9
387.25418	2.4
391.29971	1.4
399.08676	0.4
401.26901	1.0
407.29486	1.2
409.31189	1.8
417.13608	1.8
425.30566	2.3
427.27585	0.4
441.09702	0.7
443.11523	0.5
443.27802	0.8
453.30099	4.3
454.30652	0.8
459.14328	1.9
467.11227	1.0
469.33487	2.8
470.33603	0.4
471.31134	72.2
472.31497	13.8
472.38354	0.7
485.12305	3.7
485.32462	0.8
486.13043	0.7
486.33371	1.3
486.59238	0.4
503.13632	11.1
503.33734	100.0
504.13934	2.7
504.34076	22.4
518.32465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83645	0.3
57.03435	1.0
59.01365	0.9
60.99292	0.8
61.98829	0.9
66.72819	0.3
71.05032	1.6
73.02939	1.2
78.95894	0.8
101.02470	2.0
109.06589	0.5
169.08636	0.5
189.12808	0.5
208.00098	0.3
215.03368	0.4
229.05104	1.2
230.05884	0.5
256.50040	0.3
257.04550	0.5
273.07721	1.2
273.18915	0.4
277.18591	0.5
277.21738	3.1
278.22089	7.8
301.18106	1.1
302.09598	0.4
305.17603	1.6
319.19135	25.5
320.19513	2.8
333.20551	2.0
345.20731	2.4
359.22296	5.5
360.22614	0.9
373.10977	1.0
383.05588	0.8
383.25751	0.5
387.25345	3.7
387.29294	0.4
388.25827	0.5
399.08884	0.5
401.26987	9.6
402.27286	1.3
415.11981	0.6
415.28391	0.5
417.13470	2.4
423.08618	0.7
441.09979	1.0
442.10800	0.6
443.11392	0.4
445.29645	1.3
448.28357	1.1
459.14716	1.4
467.11545	1.0
471.31207	2.5
472.31680	0.6
485.12335	4.1
485.32602	1.3
486.13010	0.7
503.13562	12.8
503.33804	100.0
504.13828	2.5
504.34207	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	503.3009
Annotation	Hongdoushan A
Peak:m/z	Relative Intensity
50.30172	0.4
59.01118	1.4
59.01451	10.2
60.69109	0.4
69.37770	1.7
69.38197	2.5
73.03014	0.9
80.70543	0.4
90.93584	0.4
98.19959	1.1
150.53514	0.5
176.78879	0.5
188.04782	0.4
198.38629	0.4
225.19501	0.5
233.77975	0.4
313.21869	0.7
315.77072	0.5
327.23523	0.6
343.26450	2.8
355.26389	2.7
356.26782	0.6
369.24283	3.1
381.28064	10.2
382.28098	2.0
397.27487	6.7
398.27850	1.1
399.29160	4.1
400.29279	0.9
425.26971	8.6
426.27353	1.8
443.27985	56.0
444.28333	11.8
461.29221	0.6
485.32919	2.8
503.30020	100.0
504.30331	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	503.3373
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
52.03805	0.1
59.01379	0.2
71.53843	0.1
87.04530	0.3
98.20670	0.2
109.67677	0.1
112.88058	0.1
152.85815	0.1
173.86313	0.1
307.24207	0.1
322.65381	0.1
336.02133	0.1
377.28348	0.2
407.29547	0.7
423.28851	0.1
425.30383	0.1
454.13943	0.1
455.31973	0.2
481.90332	0.1
503.33691	100.0
504.34048	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	503.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07520	0.1
55.87901	0.1
57.03419	0.2
59.01362	0.5
68.39586	0.2
70.88302	0.3
71.01380	0.2
73.02958	0.2
77.46078	0.2
85.92675	0.1
87.04535	0.5
99.04550	0.3
107.24600	0.2
139.19838	0.1
146.68756	0.2
169.37054	0.1
179.61519	0.1
307.24365	0.2
325.25284	0.2
355.26459	0.3
368.23318	0.2
375.26730	0.2
377.28604	0.2
389.28485	0.2
391.30194	0.2
405.27783	0.2
407.29553	1.0
408.29895	0.2
423.32877	0.4
425.30463	0.2
437.30392	0.3
443.27451	0.6
455.31647	0.3
459.34457	0.2
467.31595	0.4
469.33383	0.2
471.31586	0.4
472.31601	0.6
473.31757	9.2
474.32019	0.8
485.32697	0.5
503.33670	100.0
504.34070	17.5
504.41907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
57.03441	3.6
59.01377	100.0
60.01715	0.8
61.98830	16.0
65.00324	0.7
66.20419	0.6
69.03460	0.7
71.01382	25.7
71.56598	0.7
71.57027	1.1
72.99316	2.0
73.02945	7.7
75.00888	1.8
78.95912	1.2
83.01390	3.1
85.02960	11.1
87.00861	3.1
87.04544	1.9
88.98833	1.7
89.02448	8.1
93.03473	5.4
95.01405	2.2
97.02985	1.9
99.00903	3.4
99.04572	1.1
101.02454	16.9
101.03114	1.2
107.05086	0.7
109.03020	0.8
111.00897	1.0
113.02470	13.1
115.04017	1.0
116.92871	3.6
117.03454	9.0
117.04141	0.7
117.05712	0.7
119.03586	2.3
119.05038	30.8
120.05363	1.5
120.33891	0.6
121.02989	2.8
123.04567	1.5
125.02508	3.6
129.01968	0.8
131.03528	5.6
132.05849	2.1
133.02989	2.4
133.06596	7.2
134.03802	2.0
135.04572	1.7
135.06660	1.8
135.11772	1.1
136.01659	3.6
137.02449	5.0
139.11375	0.8
143.03488	1.0
144.49544	0.7
145.02966	47.5
146.03365	2.0
147.04570	0.9
149.04683	0.7
149.06123	0.6
151.00482	1.0
151.04002	4.5
155.10803	7.0
159.03130	1.2
159.04561	1.2
160.01735	1.9
161.02531	4.3
161.04630	7.5
161.06139	19.3
161.09784	1.2
162.03241	19.8
162.06485	1.0
163.04031	38.2
163.11345	1.2
164.04396	2.4
165.00201	1.4
165.05643	1.1
165.09212	0.7
173.04637	0.7
175.04095	1.8
177.01984	0.7
177.04205	0.8
177.05579	23.4
178.05975	2.8
179.03571	1.6
179.10794	5.3
181.12340	6.1
183.10342	1.5
187.04092	2.0
191.05649	1.0
191.07253	0.8
195.06615	1.0
199.09767	1.5
205.05057	25.8
206.05498	1.9
206.10637	0.6
211.07576	1.0
221.11792	0.8
223.13515	0.8
225.11319	6.2
225.34187	0.6
235.06114	24.2
236.06566	2.1
243.12463	1.0
255.03021	1.0
265.07153	46.2
266.07532	4.6
267.12485	1.8
271.06137	1.6
285.04117	2.1
297.08975	1.0
297.11731	3.8
307.08295	2.9
311.14987	8.5
311.17926	0.7
325.09286	6.8
327.14539	2.8
339.23203	0.7
357.13559	2.5
358.13440	0.8
371.20969	2.9
387.16516	1.5
399.23877	14.0
399.28732	1.0
400.24442	1.5
417.25101	4.3
429.17435	1.6
430.18094	0.7
441.00601	0.6
443.19144	13.9
444.19797	1.5
459.26312	2.6
503.15265	3.1
503.21527	10.7
503.33728	2.1
504.21936	1.3
504.33603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
58.00573	1.0
59.01109	1.0
59.01377	12.6
60.72965	0.5
60.99292	0.5
61.98833	4.3
66.74047	0.4
71.01008	0.6
71.01382	8.7
72.00893	0.5
72.99307	0.9
73.02945	5.6
77.28588	0.5
81.03440	0.7
83.01406	0.9
85.02951	4.2
87.00881	1.1
87.04520	1.1
88.98802	0.6
89.02447	4.0
89.47417	0.6
93.03458	1.6
93.22977	0.5
95.01400	0.6
95.05032	1.0
97.02982	1.0
98.20687	0.9
99.00866	0.6
101.02458	5.7
107.05024	0.9
109.06579	2.6
111.04494	0.7
111.08149	2.0
111.26035	0.5
113.02461	1.7
115.03989	1.3
116.07150	0.5
119.03487	1.6
119.04976	0.8
121.02915	1.1
122.06134	0.9
125.02402	0.6
131.03506	0.9
133.05077	3.5
137.02367	0.5
145.02968	1.4
149.04532	0.6
152.07140	1.7
161.04515	1.4
161.13364	0.5
163.11302	5.9
173.04567	1.0
177.12848	0.6
181.12355	27.7
182.12639	1.2
188.07162	0.6
195.13940	4.0
205.12346	0.7
207.10243	2.3
223.13406	9.3
224.13664	0.7
225.11324	50.8
226.11710	3.2
239.12857	1.1
243.03004	1.4
249.11171	0.9
255.02983	0.6
267.12363	9.8
268.12546	0.6
291.12363	0.6
295.10684	1.5
297.13556	1.2
307.10947	1.0
314.04501	0.7
315.05032	0.9
327.11331	0.6
327.14542	5.4
371.20535	1.3
387.16675	1.2
443.26047	0.7
449.14374	0.9
459.21835	0.9
460.18738	3.4
485.20218	4.4
503.21198	100.0
503.33258	3.9
504.21805	13.6
504.27460	0.5
504.62592	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19456	0.6
53.57932	0.6
55.01873	1.0
56.30743	0.6
57.03439	2.7
58.00590	1.6
58.67120	0.9
59.01377	32.0
61.98833	18.7
64.73511	0.8
69.03473	1.7
71.01385	24.4
71.05028	3.0
71.42566	0.8
71.42912	1.3
72.98080	0.8
72.99303	1.3
73.02953	13.3
75.00883	1.2
76.40020	0.7
83.01387	2.0
85.02962	18.0
86.00114	0.8
87.00862	6.6
87.04515	4.4
88.00428	0.8
89.02459	9.5
93.03481	3.2
95.01407	2.2
95.05064	0.9
97.02986	5.4
99.00874	2.3
99.04502	0.9
101.02457	19.8
107.05064	0.8
107.08686	1.0
109.02956	0.8
109.06628	1.5
111.08163	1.6
113.02472	10.5
115.04037	2.6
116.92867	1.0
117.03464	2.5
117.05571	1.5
118.98128	1.2
119.03531	3.3
119.05029	6.4
121.06594	1.4
123.04513	1.5
125.02449	2.4
131.03532	4.4
132.02168	1.7
133.02982	2.5
133.06647	1.7
133.10237	1.0
134.03801	4.4
135.04570	6.8
135.06651	8.2
135.11813	2.2
137.02460	2.6
137.09729	1.1
145.02956	8.2
149.06151	1.5
155.07112	0.8
155.10815	4.2
159.02983	1.9
159.08115	1.0
160.01678	11.0
161.02490	9.0
161.04582	6.9
161.06107	3.8
161.09717	5.4
161.13341	1.0
162.03244	4.8
163.03998	7.5
163.11285	7.3
163.37643	0.7
165.05591	7.7
165.09117	0.9
173.04581	0.8
175.00250	0.8
175.04001	13.2
176.04396	1.2
177.05600	5.8
178.02596	1.0
179.03583	1.8
179.10789	10.2
180.11081	0.9
181.12364	65.5
182.12671	4.0
190.02710	1.6
193.05058	3.4
195.13876	3.6
199.09770	1.0
203.10797	2.3
205.05104	4.6
207.10361	2.4
209.06076	2.2
211.07625	1.3
223.13347	4.7
225.11319	56.2
226.11671	2.9
235.06122	4.6
243.12364	2.5
265.07208	10.0
267.12405	9.2
271.06262	1.1
279.10880	2.3
281.06625	2.3
285.13507	0.8
291.12103	0.7
297.11761	21.5
298.12433	1.6
309.22211	3.3
311.15002	4.1
323.07697	2.0
325.09158	1.4
327.14481	16.4
328.14859	1.8
337.09311	7.9
367.10272	2.1
371.20749	1.4
387.16656	11.5
388.17084	1.2
395.25867	1.6
402.98477	0.7
407.26053	4.1
409.27609	2.0
414.84641	0.8
415.23447	1.1
425.27026	4.7
429.17673	50.5
430.17950	7.5
439.27963	0.9
443.19226	22.5
444.19525	3.0
457.29590	4.9
459.22385	2.7
459.31219	22.8
460.31573	3.8
485.20184	2.3
485.28851	1.5
503.15176	11.6
503.21393	51.6
503.30093	100.0
504.15320	2.5
504.21848	8.0
504.30441	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	503.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23674	0.5
55.94336	0.5
57.03441	1.7
59.01373	7.4
61.98830	13.2
68.99814	2.2
69.03452	1.8
71.01385	6.4
71.56873	0.7
72.69083	0.5
72.91328	0.5
72.99297	1.5
73.02939	2.9
75.00871	2.3
80.58808	0.5
83.01390	2.3
85.02958	5.4
87.00883	3.1
87.04539	0.6
88.98801	0.7
89.02449	2.5
93.03456	1.6
95.01394	1.7
96.96010	0.7
96.96981	0.7
96.99327	0.8
97.02988	1.4
99.00883	2.9
99.92597	2.0
101.02448	2.7
109.02963	1.6
110.01957	1.4
111.00880	1.6
112.98841	0.5
113.02454	4.8
113.99600	12.2
115.00403	5.7
115.03902	0.5
116.92872	30.0
117.01968	1.7
117.03465	0.6
117.92876	1.8
118.98121	1.3
119.03505	0.9
119.05038	0.9
123.04545	1.7
124.01653	0.8
125.02459	3.4
127.00397	2.3
129.01970	2.6
131.03555	0.7
131.05049	0.8
133.02962	0.7
135.04503	0.5
137.00542	0.5
137.02475	1.2
138.01997	1.3
139.11322	1.4
141.01952	0.6
145.03004	1.7
149.99623	1.3
151.00328	0.7
151.04016	1.2
157.01460	2.3
161.02490	1.2
161.04628	0.7
163.04124	0.6
165.07436	2.5
168.00609	2.3
169.01447	1.7
174.01715	11.5
175.02351	1.4
175.03937	0.7
177.01961	1.3
177.03998	0.9
178.99899	1.1
179.03578	0.8
179.10867	1.1
183.10281	4.0
189.01935	4.3
190.02728	1.6
195.05130	1.2
200.09210	0.5
203.03438	1.2
205.05099	0.8
207.06812	0.6
209.06433	0.6
216.00581	0.6
217.01408	2.7
218.01903	0.5
219.03062	1.0
223.76691	0.6
237.09167	0.8
253.05313	2.6
259.04681	0.9
277.05655	1.9
341.06616	8.9
342.07059	1.1
443.15601	6.3
443.22153	1.0
444.15704	1.1
503.17722	100.0
504.18030	17.3
504.23538	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65317	0.7
57.03437	1.3
59.01374	18.2
59.06334	0.7
61.98833	3.5
64.23244	0.6
69.03452	0.7
69.33551	2.2
69.33967	4.7
71.00998	0.7
71.01382	12.5
72.99312	0.8
73.02953	2.8
75.00894	1.0
83.01390	1.4
85.02949	4.4
87.00894	1.8
87.04509	1.0
88.98834	0.8
89.02444	9.3
90.98584	0.8
93.03468	3.0
95.01389	1.0
96.96995	0.8
97.02943	1.2
99.00916	1.0
101.02452	8.6
113.02459	6.9
117.03478	17.2
118.04231	1.2
119.03558	2.4
119.05042	61.6
120.05341	5.6
121.02948	3.3
123.04510	1.2
124.86392	0.7
125.02515	0.9
131.05042	1.6
132.05844	2.9
133.02985	2.0
133.06619	15.3
134.03722	1.5
135.06635	5.0
135.11824	2.8
136.06822	0.7
139.11276	0.9
143.03455	0.8
145.02968	67.7
146.03281	4.3
155.10796	5.5
159.03162	0.6
159.04510	2.0
159.08157	0.8
160.01691	1.5
161.02397	2.4
161.04625	1.9
161.06090	41.4
161.09705	3.8
162.03244	49.1
162.06432	2.6
163.04022	70.8
164.04350	7.8
164.80058	0.8
165.04536	2.1
173.06097	0.7
175.03986	2.0
176.04263	1.1
177.05589	60.0
178.05931	3.9
179.05611	1.0
179.10770	12.7
183.10303	1.2
187.04045	3.4
189.01837	1.3
191.07193	1.3
199.09831	1.6
203.10870	1.4
205.05066	48.1
206.05428	1.9
217.01375	0.9
221.11531	1.1
235.06113	50.0
236.06453	4.3
265.07147	100.0
266.07468	8.5
279.10953	1.7
297.08640	0.8
297.11890	12.7
298.12137	1.2
307.08344	0.9
319.06015	0.9
325.05499	0.7
325.09293	14.2
326.09460	1.5
337.09244	0.7
339.09845	2.0
341.06616	2.6
460.21982	4.5
503.15137	4.0
503.21344	11.5
504.21841	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	503.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60540	0.8
59.01376	14.0
61.98825	11.0
63.62475	0.8
66.56607	1.0
69.55888	0.8
71.01381	14.8
72.99315	1.8
73.02945	10.6
74.98485	0.8
75.00866	5.8
80.02065	0.9
83.01385	1.4
85.02950	4.0
87.00880	69.1
88.01234	1.6
89.02446	6.7
89.50136	0.8
93.03461	1.6
96.96053	1.1
97.57655	0.8
98.19788	1.6
99.00887	1.9
101.02451	7.1
105.01916	1.8
109.02965	1.2
113.02462	5.2
117.03446	2.4
118.98114	1.0
119.03487	3.0
119.05047	1.2
125.02484	1.1
129.01953	1.1
131.11816	1.0
132.02187	1.3
133.02946	7.5
134.03752	32.3
135.04500	3.7
137.02417	2.7
145.02974	0.9
147.04529	5.7
148.05353	4.6
149.02431	2.1
149.06116	7.5
151.03935	1.6
158.03746	1.1
160.01695	10.7
161.02423	4.8
161.04488	1.9
163.03996	2.3
164.04727	3.1
173.06075	3.4
175.03998	18.5
176.04794	18.0
177.01932	2.7
177.05313	2.2
178.02722	5.1
179.03471	2.3
179.05609	1.1
191.05632	1.7
191.07137	24.5
192.04274	2.2
192.07466	1.8
193.05052	39.2
194.05377	3.7
207.06641	8.1
208.03719	2.9
220.03705	4.1
223.06134	5.4
235.06107	54.0
236.06425	3.1
265.07144	10.0
295.08209	15.2
296.08444	1.2
309.08276	1.1
327.09293	31.6
328.09488	2.5
341.11179	1.4
355.10312	6.7
385.11273	1.2
411.22421	0.9
443.12140	2.6
443.19485	2.5
471.11084	1.3
485.13019	3.3
503.13950	100.0
504.14435	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	503.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14931	0.2
56.50941	0.2
57.03459	0.5
58.00595	0.3
59.01377	8.2
61.98822	0.7
69.94692	1.1
71.01389	5.8
72.99319	0.4
75.00886	1.6
78.95907	6.5
83.01377	0.2
85.02962	1.2
87.00868	1.6
89.02451	5.9
89.03977	0.3
93.03463	0.3
96.95370	0.4
96.96020	7.1
96.96976	12.8
98.02500	0.3
99.00886	0.5
101.02458	2.8
105.01948	0.6
105.03512	0.3
113.02480	2.1
117.03477	0.9
119.03542	1.9
119.05031	2.6
123.04552	0.3
125.02462	0.3
131.03571	0.4
132.02184	1.1
133.02982	21.6
134.03664	0.9
135.04552	3.3
137.02483	0.4
143.03491	0.3
145.02963	0.6
149.04704	0.2
149.06091	0.4
160.01643	0.6
161.02469	100.0
162.02786	5.2
163.04025	2.4
175.04001	0.3
177.01875	0.2
177.04062	1.8
177.05450	0.5
178.02756	0.3
179.01971	0.2
179.03510	4.2
179.05595	1.0
191.07077	0.4
193.05019	1.4
235.06178	0.8
251.05641	0.4
295.08179	0.4
323.07654	2.0
324.08054	0.3
327.09241	0.4
341.08600	1.1
341.10995	1.0
459.96924	0.2
467.12067	0.3
503.14032	32.8
504.14407	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	503.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	0.9
59.01377	14.6
61.98821	3.3
69.38736	6.9
71.00997	0.8
71.01382	11.6
72.90411	0.7
72.99297	1.9
73.02948	16.6
75.00903	4.2
78.95870	0.9
83.01366	1.2
85.02941	2.8
87.00883	47.2
88.01284	1.2
89.02460	6.9
93.03456	1.4
96.96009	1.0
97.02316	0.7
99.00905	5.5
101.02448	6.5
105.01945	11.4
106.61939	0.7
110.70909	0.7
113.02438	3.6
116.92891	0.7
117.01960	1.9
117.03460	3.2
119.03516	2.7
125.02465	1.5
129.01936	1.1
132.02208	1.7
133.02974	5.1
134.03760	30.4
135.04579	3.9
136.01636	0.9
137.02449	2.3
143.03458	0.9
145.02896	1.0
147.03101	1.6
147.04533	6.6
148.05348	3.3
149.02380	0.9
149.06111	7.6
150.06349	0.9
151.04013	1.3
153.05557	1.0
158.03786	1.4
160.01691	10.8
161.02361	2.6
161.04631	1.2
163.04001	1.7
164.04837	1.4
165.03998	0.8
168.35332	0.7
173.04672	1.5
173.06081	3.1
174.03162	1.0
175.04025	23.1
176.04808	18.9
177.01939	3.6
177.05368	2.0
178.02725	4.3
179.03488	1.7
191.05739	1.3
191.07161	25.6
192.04300	2.2
192.07536	1.8
193.05072	42.8
194.05400	1.9
207.06651	9.2
208.03868	1.0
217.04968	1.4
220.03799	3.7
223.06056	1.9
226.55908	0.7
235.06108	50.4
236.06392	3.2
242.18892	0.7
265.07156	10.9
266.07272	1.3
267.07217	1.0
295.08215	16.7
296.08557	1.6
297.08176	0.8
309.08044	1.3
327.09302	23.5
328.09399	2.4
329.09198	2.1
355.10263	5.1
397.11307	1.2
485.13040	2.5
503.13968	100.0
504.14301	15.3
528.97272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.2
58.28503	0.7
59.01374	8.1
68.99785	0.6
69.03457	1.1
69.36920	5.9
71.01380	10.8
71.76823	0.6
72.99300	1.4
73.02962	1.1
75.00874	26.1
78.95902	6.3
83.01398	0.7
84.02160	0.9
85.02955	8.3
86.35651	0.6
87.00884	8.6
89.02432	2.9
89.79752	0.5
96.96031	9.0
96.96967	14.6
97.02951	1.2
98.02473	0.8
99.00873	4.3
101.02449	2.8
103.00392	0.6
105.01913	1.8
111.00910	1.2
113.02425	1.0
115.04034	0.8
117.03474	2.0
119.05038	54.7
120.05373	2.5
129.01950	10.6
133.02937	2.4
133.06610	1.0
134.03757	1.3
135.04500	1.3
141.01927	1.3
145.02969	14.2
146.03273	1.4
147.04561	1.4
149.06122	0.7
157.77681	0.6
159.02989	2.3
161.02452	2.2
161.06111	3.5
162.55339	0.7
163.04019	47.2
164.04350	2.9
177.04051	46.9
178.02831	0.7
178.04309	1.4
179.03526	1.7
187.07593	0.7
191.07210	1.1
193.05055	1.5
195.05138	6.5
203.07243	0.7
205.05063	5.3
217.05005	0.7
231.06596	0.7
235.06088	1.8
238.81219	0.6
240.92671	0.6
261.07587	1.5
305.06812	1.0
323.07690	16.0
323.11435	0.8
324.08176	1.4
325.09354	1.4
327.09201	1.6
341.08743	6.3
383.09891	0.6
451.58093	0.6
467.11847	6.7
468.12393	1.1
503.14011	100.0
504.14343	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	501.3218
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
53.07935	0.2
57.03452	0.3
59.01376	2.2
61.98834	1.7
64.31108	0.2
67.82221	0.2
71.01385	1.0
71.05018	0.2
73.02952	4.8
74.30229	0.2
77.82169	0.2
83.05031	0.2
85.02967	0.5
87.04523	0.4
89.02425	0.2
98.19770	0.3
100.56758	0.2
116.95402	0.2
118.95702	0.2
125.02400	0.2
132.93974	0.2
137.02446	0.5
150.85588	0.2
165.01968	0.3
167.03519	0.2
182.97545	0.2
191.05606	0.3
191.14496	0.2
215.14462	0.3
222.88557	0.2
289.18015	0.4
321.20627	0.8
339.12335	0.4
349.25272	0.3
358.93658	0.2
377.24750	0.3
381.66623	0.2
383.58206	0.2
389.28412	0.3
391.26367	0.5
392.26801	0.2
393.27939	0.4
405.28052	0.6
407.29684	3.3
408.29779	0.6
409.31183	0.6
421.27158	0.3
423.29279	2.4
424.29587	0.3
425.26035	1.1
425.31345	0.5
437.30496	1.0
439.28207	1.0
441.26385	1.3
442.26385	0.3
448.86429	0.2
455.31631	52.7
456.31979	10.5
456.38544	0.4
457.33511	1.8
458.33237	0.2
469.29510	0.2
471.31268	0.3
501.32272	100.0
502.32635	20.6
502.38562	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1343
Annotation	Bequinostatin A
Peak:m/z	Relative Intensity
55.73971	0.3
56.43414	0.3
57.03447	0.6
59.01382	2.7
59.61763	0.3
60.99308	0.3
61.98821	1.6
68.55492	0.3
71.01369	1.6
71.05015	0.3
71.18398	0.9
73.02937	1.6
78.29269	0.2
81.33581	0.3
83.05023	0.8
94.93994	0.3
96.53846	0.3
97.06582	0.3
101.02415	0.3
109.06599	0.8
109.68886	0.3
157.06689	0.3
159.04549	0.6
160.18864	0.3
173.06154	0.4
174.03168	0.3
185.05991	0.4
188.04892	1.5
189.05508	0.4
201.05580	2.7
202.02698	0.5
202.06139	0.3
213.05568	0.4
215.03493	3.1
217.05104	0.4
228.04150	0.6
229.05057	8.0
230.05783	5.2
231.06557	1.6
243.06636	0.5
245.08170	0.4
257.04532	4.4
258.04919	0.4
266.05820	0.4
271.06082	1.3
273.07660	13.2
274.07965	1.1
276.04391	0.4
291.06519	1.0
301.07257	1.3
301.18283	0.3
302.09552	1.0
303.09964	0.3
305.17618	0.4
315.06702	0.6
316.10797	0.4
317.04401	0.4
317.08212	0.4
319.19089	5.0
320.19501	0.5
326.09421	0.5
327.10321	0.4
329.08292	0.6
329.11884	0.4
330.08737	0.4
331.06046	1.7
331.09778	2.1
333.20728	0.4
341.08224	0.5
342.08987	0.6
343.05988	1.3
343.09848	0.8
344.06778	0.7
345.11389	0.9
345.20746	1.4
346.08270	0.4
351.26950	0.4
353.07932	0.4
353.12036	0.3
354.08963	0.6
355.05908	0.6
355.09750	0.8
357.07529	1.7
358.08209	0.5
359.09372	0.5
359.22256	1.2
363.22754	0.3
369.07523	0.7
369.11478	0.6
370.04483	0.4
370.08438	0.8
371.05316	0.5
371.09268	2.5
372.06033	0.8
372.09958	0.9
373.07065	0.5
373.10809	12.2
374.11368	2.0
375.08508	0.5
380.06851	1.5
381.07574	1.2
383.05521	6.4
384.05777	1.3
385.07022	0.5
387.12524	0.9
387.25394	1.2
389.10162	0.6
395.09393	0.5
397.06497	3.2
397.11768	2.2
397.31320	0.5
398.03937	0.8
398.07919	1.2
399.04669	0.5
399.08701	3.1
400.09134	1.0
401.05991	0.5
401.10648	0.7
401.27023	2.2
406.28448	0.4
408.06140	1.4
409.07059	0.7
409.30957	0.6
411.04895	0.7
412.05884	1.0
413.05652	0.5
413.10757	2.3
414.11133	0.8
415.12009	4.3
416.12497	0.8
417.13535	16.2
418.13928	3.3
423.08768	5.0
423.32904	0.5
424.09030	1.3
425.06287	3.1
425.30759	0.5
426.07797	1.6
427.08243	3.9
428.08701	1.0
432.12045	1.3
433.12698	0.9
435.09476	0.4
441.09515	8.6
441.34460	0.6
442.10223	3.9
442.26620	0.6
443.11765	3.0
443.27579	1.1
445.08896	1.2
453.30124	0.7
455.07639	1.0
457.12872	3.0
457.33322	0.7
458.13361	0.8
459.14560	13.4
459.34369	0.3
460.11646	2.0
460.15012	1.3
461.12198	1.1
467.11383	7.2
468.11813	1.2
469.33163	4.1
470.10001	1.8
471.10791	0.6
471.31137	12.4
472.31421	2.9
473.31485	0.5
475.13815	1.6
485.12396	29.2
485.32416	1.9
486.12741	5.0
486.32739	0.4
502.32797	5.1
503.13425	100.0
503.33856	48.7
504.13776	17.1
504.34134	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	501.3217
Annotation	16alpha-hydroxygypsogenic acidid
Peak:m/z	Relative Intensity
50.99415	0.2
60.98926	0.2
65.10809	0.2
87.04515	0.2
113.12721	0.2
135.96442	0.2
144.52388	0.2
154.88615	0.2
423.06717	0.2
425.30576	0.4
453.29907	1.0
465.84183	0.2
471.31165	9.9
472.31583	1.9
501.32178	100.0
502.32504	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	501.3218
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
55.32581	0.2
57.03447	2.6
58.70302	0.2
59.01376	15.5
60.99291	0.9
61.98815	0.4
62.07308	0.3
62.68008	0.3
67.60194	0.3
69.03455	0.7
71.15974	0.6
73.02950	2.5
87.00306	0.2
117.47184	0.3
125.45880	0.3
126.88931	0.3
145.50989	0.3
156.49840	0.3
164.39911	0.3
325.25339	1.0
341.28528	1.1
355.26242	0.4
363.27023	0.4
377.28674	0.4
379.30206	5.1
380.30389	0.6
393.28006	1.0
395.29657	1.6
396.29742	0.5
397.16458	0.3
397.30942	1.0
423.29016	8.2
424.29486	1.7
439.31818	0.4
441.30072	51.6
442.30383	9.1
457.33304	0.5
459.30786	0.4
469.33212	1.1
483.31607	0.5
501.32150	100.0
502.32532	20.3
502.38220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3218
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
59.01377	1.5
61.98822	0.4
67.66801	0.2
68.96446	0.2
71.01385	1.5
73.02951	0.4
86.31234	0.2
87.04516	0.3
91.66753	0.2
99.04540	0.2
178.91504	0.2
311.23709	0.2
377.28195	0.2
379.26318	0.2
383.25873	0.2
389.28354	0.2
423.29514	1.4
424.29376	0.2
425.30646	0.6
439.32172	1.8
440.32471	0.3
441.26318	3.0
442.26797	0.6
453.29889	0.8
454.30380	0.2
455.31577	0.2
457.33569	1.4
458.33719	0.2
471.31146	18.0
472.31488	3.4
483.31082	0.8
501.32269	100.0
502.12778	0.5
502.32654	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	501.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38757	0.2
57.03444	0.5
58.52773	0.2
59.01376	1.6
69.40835	1.5
71.01392	0.3
71.05024	0.2
71.35798	0.2
71.84270	0.2
83.05013	0.3
87.04508	0.7
100.87325	0.2
136.05391	0.2
146.16499	0.2
163.93694	0.2
304.74969	0.2
307.24304	2.0
308.24509	0.4
345.26004	0.3
347.27307	0.6
348.27939	0.2
373.25079	0.3
374.88016	0.2
375.26923	0.6
387.26855	0.4
389.28793	0.4
393.28064	0.9
405.27887	1.9
406.28314	0.3
406.51920	0.2
407.29364	1.0
423.28973	2.3
424.29071	0.3
453.30206	0.3
455.31601	1.6
456.32004	0.4
463.06158	0.2
501.32178	100.0
502.32523	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	501.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.2
59.01379	1.0
69.03456	0.2
69.86172	1.0
71.01390	0.2
85.02932	0.2
87.04528	1.5
91.45474	0.2
94.63390	0.1
98.20612	0.2
100.91314	0.2
113.07224	0.3
133.04184	0.2
138.21463	0.2
307.24222	0.6
311.28094	0.2
325.25449	0.3
365.28387	0.3
367.22754	0.2
377.28360	0.2
379.26276	0.4
389.28613	0.2
395.24969	0.2
395.29779	0.3
407.29382	0.4
423.25015	0.4
425.30649	1.0
426.30237	0.2
441.26480	3.9
442.26669	0.6
453.29993	1.4
457.33691	0.4
458.33224	0.3
471.31125	66.9
472.31464	13.7
501.32306	100.0
502.32678	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3215
Annotation	Dianic acid
Peak:m/z	Relative Intensity
70.50738	0.5
70.51102	0.5
75.17871	0.2
87.04482	0.3
97.05743	0.2
98.20592	0.2
136.68788	0.2
137.79045	0.2
153.73787	0.2
204.80731	0.2
307.24136	0.4
382.35583	0.3
411.58505	0.3
425.30338	1.2
426.30731	0.5
441.26437	0.4
445.84122	0.3
453.24670	0.3
453.29904	1.8
454.30255	0.3
471.31116	66.7
472.31448	14.2
501.32159	100.0
502.32489	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	501.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73180	0.4
57.03431	0.5
58.00592	0.6
59.01376	15.5
60.01706	0.5
61.98830	6.2
67.01875	0.9
71.01377	5.7
71.58855	0.5
72.99304	1.2
73.02927	0.8
78.95911	1.5
83.05011	0.5
85.02952	4.7
87.00874	2.5
89.02448	2.5
93.03465	12.5
94.03807	0.7
96.96029	2.0
96.96946	2.2
96.99309	1.5
99.00898	0.7
99.92590	0.5
101.02423	3.2
108.02232	0.5
109.02975	0.7
111.00906	0.4
111.04503	1.3
114.00911	0.4
115.00408	0.5
115.92141	0.4
116.92855	0.6
117.01938	1.5
117.03456	0.9
119.05030	7.6
123.04567	0.8
125.02448	0.8
127.04068	0.7
131.05032	1.6
133.02966	0.9
137.02435	1.1
143.05052	4.8
145.02982	2.5
155.03545	0.8
161.02475	0.7
161.04526	1.0
161.07201	1.0
163.04053	5.7
163.08810	1.0
164.04387	0.4
173.04559	10.4
176.05905	8.0
177.06700	13.6
178.07063	0.8
191.05609	32.2
191.08255	23.4
192.05966	1.8
192.08630	1.3
199.85954	0.4
203.08290	1.7
205.06177	40.3
206.06595	2.0
211.07637	1.8
219.07744	42.2
220.08072	3.1
223.07787	0.5
235.07661	0.8
237.09129	2.9
239.10548	0.7
245.09279	1.2
261.08804	0.8
265.08688	6.3
266.09045	0.6
279.08771	0.8
283.09662	1.1
303.04901	0.5
309.07663	2.1
321.11014	2.9
327.08716	42.0
328.09076	4.6
339.11954	100.0
340.12280	9.5
411.09201	0.9
441.19644	2.5
501.17526	19.5
502.18008	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	501.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.0
57.03435	4.2
58.00578	1.2
59.01381	30.7
59.35681	1.0
61.98838	7.6
67.01884	3.2
69.03428	1.8
69.30306	3.5
69.30740	7.6
71.01386	54.6
72.01687	0.9
72.99321	2.3
73.02956	17.0
73.74662	1.0
75.00880	3.8
83.01392	8.6
83.05048	1.2
85.02959	31.8
87.00880	7.4
89.02465	7.9
93.03467	27.4
94.03793	1.0
95.01389	3.7
96.26374	0.9
96.96954	1.5
96.99318	1.3
97.02959	2.4
97.47292	1.0
98.19945	2.7
99.00887	7.3
99.78393	0.9
101.02453	43.9
102.02816	1.0
109.02952	1.3
111.00903	3.2
111.04531	3.0
113.02461	19.3
115.92084	1.9
117.03455	1.9
119.03533	3.0
119.05035	18.0
121.02957	1.3
123.04550	1.8
125.02433	2.9
127.04051	2.4
129.01958	2.7
130.08739	2.6
131.03473	1.2
131.05048	2.4
133.02919	1.4
135.04504	1.8
137.02425	2.7
143.03514	2.8
143.05038	7.9
145.02951	3.9
145.05067	1.1
145.06541	1.4
149.00644	1.4
151.03928	1.8
155.03522	1.7
155.10828	1.0
159.02975	4.5
161.02444	1.2
161.04576	21.8
163.04022	11.1
164.04408	1.0
172.09738	2.1
173.04575	35.7
174.04984	1.4
177.04121	1.7
179.05673	2.7
191.05629	89.2
192.05994	2.2
193.04980	1.0
203.03490	1.4
211.07625	3.3
235.07660	1.5
237.09161	4.5
239.10690	1.5
263.07574	1.5
265.08707	10.9
277.09247	1.6
279.14517	27.1
280.14850	1.9
283.09729	2.4
309.07663	2.9
325.11362	1.5
327.08734	66.5
328.09103	8.2
337.09119	2.5
367.60715	1.0
441.19757	100.0
442.20078	12.5
491.91644	1.1
501.14505	9.3
502.14508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2858
Annotation	Casearlucin F
Peak:m/z	Relative Intensity
59.01384	12.1
60.99293	1.0
69.39565	4.1
73.02944	2.0
89.40596	0.5
93.27689	0.4
104.75648	0.4
120.86234	0.4
192.93604	0.4
200.11105	0.5
231.63643	0.5
285.18646	0.4
305.16232	0.4
305.42886	0.5
309.18799	0.6
341.24933	3.1
353.24863	2.7
356.53284	0.5
367.22754	2.8
379.26453	6.2
380.26733	1.0
393.24210	0.7
395.25974	4.9
396.26080	0.6
397.27545	4.0
398.27469	0.6
423.25378	10.1
424.25888	1.8
425.29913	0.5
441.26459	60.1
442.26758	9.0
453.29984	0.8
471.31134	15.9
472.31448	2.4
501.27914	100.0
502.28430	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57975	0.3
55.01878	0.3
57.03451	0.7
59.01377	6.7
61.98830	20.8
69.03458	2.5
71.01385	3.4
71.59631	0.4
72.99348	0.3
73.02954	2.0
75.00893	0.6
81.03462	0.9
83.01395	1.0
83.05032	0.5
85.02956	2.8
87.00881	0.8
87.04534	0.4
89.02458	1.5
93.03468	0.6
95.01396	1.5
97.02966	2.8
97.06628	0.5
99.00912	0.3
99.04538	0.4
101.02474	1.6
103.00386	0.8
107.01456	0.6
108.02184	1.1
109.02982	0.7
111.00887	0.5
113.02451	1.5
115.04010	0.4
116.92876	0.9
119.03480	0.5
119.05040	1.3
121.02950	0.6
123.00893	6.0
123.08166	2.2
124.01682	18.9
125.02469	35.6
125.09747	6.3
125.10651	0.6
126.02795	1.5
129.01981	0.5
135.02985	0.4
135.08156	0.5
135.11790	0.6
137.02458	2.1
137.09784	0.4
137.74884	0.3
145.02957	0.7
149.02394	0.4
149.99606	23.8
151.00407	2.5
153.01875	0.4
153.09221	0.6
155.10803	1.3
159.03017	0.5
161.02498	0.6
161.04591	0.6
161.09702	0.5
163.04030	1.2
166.02701	0.4
167.03497	1.1
167.10817	0.9
168.00658	60.2
169.01395	6.8
169.08742	0.9
175.03981	0.6
179.03471	0.6
179.10812	3.3
180.11172	0.4
183.10268	1.0
185.11842	0.3
187.09770	6.4
191.05617	0.5
199.09679	0.5
201.11311	0.5
203.10818	0.7
211.02513	0.7
211.07782	0.4
211.09825	0.8
215.12692	1.6
221.11884	0.4
223.09723	1.1
229.10857	0.6
248.75703	0.3
271.11798	1.1
277.10776	0.4
295.12079	1.8
307.07785	0.3
313.05634	1.0
325.12976	1.1
360.54272	0.4
379.13876	0.5
385.15067	0.5
427.15918	0.7
457.16919	0.6
483.14941	0.4
501.16061	100.0
502.16391	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	501.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33059	0.4
55.01873	0.6
59.01375	4.3
59.47732	0.4
61.98831	2.9
69.03457	0.5
69.34537	3.4
71.01382	5.3
73.02943	2.1
73.11292	0.4
75.00879	0.7
82.62782	0.3
82.95435	0.5
83.01401	0.7
85.02942	3.1
87.00877	1.1
89.02451	2.2
93.03437	0.9
95.05022	0.4
99.00861	0.4
101.02447	3.2
109.02966	0.4
111.04530	0.4
113.02470	2.8
117.03470	1.8
119.05035	100.0
120.05367	4.5
121.02976	1.2
122.03647	0.4
124.01647	0.4
125.02434	1.1
131.03516	1.3
132.02159	3.5
133.02974	7.3
133.10341	0.8
134.03773	5.7
135.04565	5.0
135.11794	1.8
145.02953	3.1
149.06097	1.0
149.99638	0.8
159.08189	0.5
160.01671	19.7
161.02458	26.0
161.04585	1.7
161.09705	2.2
162.02898	1.4
163.04016	49.5
164.04324	2.4
168.00673	1.5
175.04010	25.4
176.04384	1.8
177.05568	10.4
178.02811	0.4
178.05972	0.6
179.03506	4.8
179.05057	0.5
179.05679	0.5
179.10773	7.6
180.11133	0.4
193.05052	4.7
193.12320	0.6
203.10854	2.4
203.12384	0.4
221.04515	2.1
221.06686	2.1
221.11787	1.3
223.09702	0.6
227.03493	3.5
235.06110	0.5
255.02969	3.2
284.03311	1.7
295.10400	2.9
323.07697	25.0
324.07974	2.0
325.12897	0.8
337.09262	24.6
338.09616	2.4
383.17044	0.5
385.14987	0.7
398.77811	0.5
427.15997	2.8
428.16122	0.6
457.20956	2.2
474.52036	0.5
501.13864	24.9
501.19946	5.2
501.30652	0.7
502.14417	4.5
502.20432	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.5
61.98825	2.7
70.74291	0.4
70.74660	0.7
71.01376	4.1
73.02959	0.8
83.04996	0.3
85.02942	1.6
87.04514	0.3
87.10876	0.2
88.98791	0.3
89.02435	3.1
93.03484	0.5
101.02446	1.8
113.02460	1.3
117.03473	25.8
118.03834	1.3
119.03524	1.0
119.05035	7.9
119.05881	0.3
125.02466	0.4
131.03519	0.4
131.04976	0.4
132.02177	2.0
133.02966	0.4
133.06589	0.7
134.03743	5.1
135.04550	0.4
137.02507	0.4
143.82408	0.3
145.02960	100.0
146.03296	6.3
147.04529	0.9
148.05280	0.3
149.00688	0.6
149.06061	1.7
158.03755	0.3
159.04520	0.8
160.01663	10.1
161.02295	1.2
161.04652	0.4
161.06078	1.2
161.09676	0.4
162.03108	0.3
163.04021	9.6
164.04420	0.4
175.04005	14.9
176.04692	1.7
177.01901	0.6
177.05632	0.3
178.02687	0.8
179.03471	0.6
179.05655	0.3
179.10759	0.7
187.03998	4.2
189.05592	0.4
191.05655	0.3
191.07144	1.6
192.99565	0.4
193.05055	6.7
194.05310	0.4
198.41798	0.2
202.02815	0.3
203.10701	0.5
205.05019	0.7
207.06599	0.5
217.05060	1.2
220.03722	0.5
221.11757	0.4
235.06110	3.7
265.07224	2.7
295.07956	2.5
307.08231	2.9
323.07816	1.6
337.09256	12.9
338.09567	1.6
351.44678	0.3
355.10358	0.9
369.19110	0.5
441.11786	1.0
457.20746	0.8
465.11621	0.6
501.13733	9.1
501.20020	2.3
501.29901	1.2
502.13992	1.3
502.20551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83537	0.3
57.03464	0.5
59.01384	2.7
61.38281	0.4
61.98835	2.5
67.01910	1.2
69.03460	0.5
69.55784	1.7
69.56217	1.5
71.01382	2.8
73.02950	0.4
75.00900	0.6
81.03481	0.5
83.05035	0.9
85.02956	7.4
85.03450	0.5
87.00876	3.5
89.02442	0.7
93.03465	25.5
94.03816	0.6
96.99319	3.1
99.04526	0.4
106.04257	0.4
109.02973	1.1
111.04531	2.4
115.00423	0.7
117.03500	1.1
119.05038	12.5
120.05394	0.5
123.04536	1.3
125.02484	0.7
127.04025	2.2
129.01965	0.8
130.04225	0.6
131.05048	3.2
133.02983	3.0
134.03680	0.5
137.02464	1.8
141.57486	0.4
143.05035	13.8
144.05373	0.8
145.02974	2.5
145.06602	1.4
146.59084	0.4
147.04483	0.4
155.03542	1.2
159.04515	0.8
160.01726	0.5
161.02484	0.7
163.04013	9.1
168.00652	0.4
171.03104	0.5
171.04532	1.4
173.04562	9.6
174.04913	0.4
191.05618	61.6
192.05936	3.0
202.22977	0.4
203.03456	0.8
206.08125	0.5
211.07639	4.6
219.08081	1.0
221.09764	0.8
222.06709	0.5
223.07645	1.1
235.07703	3.1
237.09196	4.8
238.09537	0.8
239.10751	1.0
247.07495	0.7
263.07016	0.7
265.08679	17.8
266.08981	1.7
283.09732	0.7
289.05740	0.5
309.07718	5.0
310.08005	0.8
325.11426	0.5
327.08728	100.0
328.09088	9.5
501.13913	16.1
502.14438	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99394	0.3
57.03442	1.1
59.01377	2.9
60.77816	0.4
61.98826	4.4
64.96512	0.4
66.61917	0.4
67.01886	2.2
69.03457	0.9
69.38046	4.0
71.01382	3.4
72.24644	0.4
72.99313	0.6
73.02938	0.5
75.00889	0.6
78.95911	0.7
81.03474	0.6
83.05024	0.9
85.02951	2.9
87.00879	1.4
89.02458	0.5
93.03470	30.8
94.03792	1.0
95.34779	0.4
96.96048	0.5
96.96946	0.9
96.99329	2.9
98.95605	0.6
99.00888	1.8
99.04529	0.4
99.48424	0.4
101.02466	0.8
108.02200	0.6
109.02944	0.8
111.00918	0.6
111.04543	3.4
113.02454	0.8
114.93377	0.4
115.92086	2.0
116.92100	0.4
116.92845	0.9
117.03505	1.0
119.05041	17.5
120.05395	0.5
121.02959	1.1
123.04543	1.1
125.02411	0.8
127.04003	0.8
129.01959	1.0
130.04224	0.5
131.05054	2.3
133.02930	2.3
134.03720	0.9
137.02464	4.2
140.05266	0.4
143.05043	10.6
145.02950	2.4
145.06625	0.9
153.01900	0.4
155.03513	3.2
155.10797	0.8
159.04460	0.5
161.02443	1.0
163.04025	9.5
169.40440	0.4
171.04549	1.1
173.04565	62.5
174.04922	1.9
177.04085	1.0
177.05417	0.4
191.05621	16.8
192.05959	0.6
193.05055	1.3
197.05939	0.6
211.07655	3.5
219.08185	0.6
221.09691	1.6
223.07658	1.0
235.07637	2.5
237.09221	7.0
238.09573	0.7
239.10843	2.0
265.08688	12.2
266.09018	1.5
277.09296	1.4
279.12335	0.8
281.08261	0.4
283.09753	6.7
284.10178	0.6
293.33197	0.5
309.07669	2.6
327.08734	100.0
328.09079	11.2
337.09308	1.7
377.14499	1.1
501.07153	0.7
501.14774	4.4
502.14359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69998	0.3
57.03455	0.4
59.01378	2.6
61.98830	7.7
70.87216	1.0
71.01391	2.3
72.99348	0.3
73.02953	0.6
79.77957	0.3
83.01377	0.4
85.02955	1.2
89.02457	0.6
93.03464	1.2
97.03028	0.4
98.59058	0.4
99.00890	0.3
101.02431	0.8
113.02479	1.1
117.03514	0.5
119.05042	100.0
120.05370	4.6
123.04479	0.4
123.12675	0.3
125.02489	0.6
125.06025	0.4
128.03362	0.3
132.02180	6.6
133.02965	1.3
134.03758	6.4
135.04497	0.6
137.02518	0.5
139.03970	0.3
145.02974	1.1
147.04568	0.5
149.06108	1.4
150.06346	0.3
158.99818	0.4
160.01680	31.4
161.02440	3.6
161.09837	0.3
162.02820	0.5
163.04024	90.9
164.04356	5.2
165.01967	0.4
167.07144	0.4
175.04012	30.2
176.04362	1.9
177.04164	0.5
177.05493	1.9
178.02654	0.7
179.03484	0.7
179.10764	1.4
188.30779	0.4
191.07144	0.4
193.05070	5.3
194.05432	0.3
205.05032	0.4
217.05083	0.5
221.04576	0.4
260.10999	0.3
263.05905	0.3
307.08109	0.5
323.07712	4.2
325.12970	0.4
337.09280	32.3
338.09641	2.8
339.18079	0.6
427.16150	0.6
501.13913	19.8
501.20041	1.2
502.14328	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	499.3424
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
50.09657	0.3
55.18118	0.3
59.01371	1.2
61.98824	1.0
70.05292	0.9
70.05708	0.8
78.95889	0.6
80.65186	0.4
90.63778	0.3
94.05636	0.4
98.19940	0.4
113.49785	0.4
118.77562	0.3
125.54099	0.4
397.19952	0.4
437.64844	0.4
439.32303	0.8
453.33652	1.2
455.35251	0.4
467.31985	0.5
491.37091	0.4
499.34290	100.0
500.34674	20.2
500.42215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.01377	4.1
61.98829	100.0
62.98531	0.3
65.65887	0.1
70.28106	0.1
71.01387	1.2
73.02937	0.4
74.81624	0.2
83.01408	0.3
85.02962	0.5
86.89367	0.2
89.02466	0.7
98.20641	0.4
101.02428	1.0
113.02484	0.5
119.03603	0.2
119.05043	0.3
121.02998	0.2
125.02463	0.3
134.03766	0.2
137.02478	0.3
151.00352	0.2
151.04033	0.2
155.10797	0.2
160.01704	0.3
161.04590	0.3
165.01971	0.2
175.04010	0.3
179.20071	0.2
205.74167	0.2
271.06195	0.4
289.07321	0.2
397.23950	0.5
441.22617	0.9
457.26135	0.2
457.33109	0.2
471.31119	0.8
500.21283	0.2
500.29529	0.8
501.24988	1.7
501.32040	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	499.3061
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
68.99844	0.2
86.80318	0.2
87.04508	0.3
96.54931	0.2
98.19822	0.4
99.21337	0.2
114.94044	0.2
135.81175	0.1
151.07722	0.2
193.58469	0.2
307.24142	0.4
355.48422	0.2
378.12164	0.2
391.26376	0.2
405.27972	0.4
423.28711	0.2
469.29553	4.7
470.29831	0.6
499.30612	100.0
500.30948	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	499.3064
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
56.91758	0.2
57.03447	0.2
59.01370	1.4
61.98816	1.0
71.62592	0.2
71.63302	0.3
72.99314	1.6
77.85206	0.2
80.34597	0.2
92.51051	0.2
173.28604	0.2
186.06734	0.2
271.22806	0.3
279.03040	0.2
332.85541	0.2
398.58444	0.2
425.26678	0.4
437.30353	0.2
439.28632	0.4
441.30173	0.9
451.28513	0.9
469.29562	4.8
470.29733	0.9
496.94196	0.2
499.30563	100.0
500.30905	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	499.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36073	0.2
55.08385	0.2
59.01383	1.1
61.98830	0.7
69.03475	0.2
71.59248	0.3
76.53857	0.2
85.02942	0.5
87.04563	0.2
117.98663	0.2
130.69562	0.2
144.39630	0.2
271.22839	0.9
355.26385	1.4
425.30621	7.3
426.31015	1.3
455.31296	0.3
463.26483	0.2
469.29498	1.6
470.29962	0.4
499.30618	100.0
500.30966	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	499.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98381	0.2
59.01374	1.0
61.98817	0.8
69.50479	1.2
69.50902	1.0
72.99310	0.3
85.02982	0.6
87.04557	0.4
95.28503	0.3
355.26544	0.5
356.26868	0.3
411.32690	1.9
425.30682	7.1
426.31003	1.1
437.30518	0.7
441.30386	0.4
451.28595	0.9
455.31589	19.6
456.31912	3.9
469.29697	1.7
470.30212	0.3
499.30618	100.0
500.30960	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	499.3063
Annotation	Sodwanone A
Peak:m/z	Relative Intensity
53.57378	0.2
57.03430	0.6
59.01379	5.4
61.98835	1.3
62.47388	0.2
68.94993	0.4
70.17300	1.0
71.01378	0.2
72.29881	0.2
72.99300	0.8
83.05037	0.3
85.02932	0.3
87.16866	0.2
97.06580	0.3
98.19975	0.3
100.45108	0.2
113.02442	0.4
118.21320	0.3
121.63332	0.2
129.05891	0.3
138.50053	0.3
253.09247	0.4
263.20139	3.4
264.20370	0.4
377.28424	0.3
395.29333	0.4
408.39178	0.3
419.29202	0.3
427.32037	1.3
437.30417	0.5
439.28418	0.8
453.30084	0.5
455.31845	0.7
469.29196	0.3
481.29529	0.4
499.30569	100.0
500.30875	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.306
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
50.79924	0.2
51.92955	0.2
57.03451	1.2
58.00572	0.4
59.01368	0.5
61.98816	0.4
71.05028	0.2
71.62384	0.3
85.02949	0.5
87.04522	5.7
88.74252	0.2
89.52914	0.2
92.75320	0.2
123.08076	0.2
126.31832	0.2
222.69460	0.2
225.14890	0.2
319.24432	0.3
325.25500	0.2
377.28726	0.4
380.26944	0.2
381.33414	0.2
387.27188	0.3
395.29715	0.4
397.31339	0.3
403.26505	0.2
405.28021	1.3
406.28470	0.2
423.28912	0.3
437.26889	0.8
439.28522	0.4
441.30020	0.7
451.28625	0.6
453.30087	0.3
455.31519	0.4
469.29492	6.0
470.29791	1.2
474.01639	0.2
499.30594	100.0
500.30927	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.306
Annotation	6alpha-Hydroxylup-20(29)-en-3-oxo-27,28-dioic acid
Peak:m/z	Relative Intensity
57.03355	0.7
57.03611	0.3
57.21368	0.2
59.01290	0.8
71.01310	0.3
81.03368	0.2
83.04949	0.4
87.04411	1.7
98.19809	0.5
117.47528	0.2
120.98990	0.3
136.05246	0.3
169.67644	0.3
224.64494	0.3
254.27968	0.2
307.24304	2.6
308.24634	0.6
326.49808	0.3
337.24924	0.4
386.91653	0.3
393.27780	0.4
405.27859	1.1
406.28268	0.3
423.28851	0.9
439.24606	0.4
451.28448	0.6
469.29565	61.0
470.29883	12.4
499.30634	100.0
500.30966	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	499.1822
Annotation	Rolapitant
Peak:m/z	Relative Intensity
57.03436	0.4
59.01377	4.5
61.98829	17.0
69.03452	2.3
69.40002	2.0
69.40415	0.8
69.96851	0.3
71.01378	2.9
73.02921	0.6
81.03471	0.8
83.01399	1.7
85.02972	1.1
87.00845	0.3
88.98815	1.3
89.02464	1.9
93.03468	0.6
95.01398	1.5
97.02959	2.4
101.02454	1.3
107.01398	1.1
108.02219	0.8
109.02960	1.0
111.00922	0.3
113.02456	1.1
113.09723	0.4
119.03526	0.8
119.05009	0.4
121.02985	0.9
123.00893	6.8
123.04525	0.6
124.01681	29.0
125.02466	41.8
126.02805	1.3
133.02995	0.4
134.03745	2.1
135.04495	0.7
135.08173	0.5
137.02461	2.8
143.10840	0.5
147.04625	0.4
149.02448	0.5
149.06094	0.8
149.99603	28.3
151.00406	5.3
153.01880	0.8
155.10802	2.7
156.99438	0.3
157.24989	0.3
160.01692	1.1
161.02458	0.9
161.04665	0.4
166.05096	0.5
167.03487	1.3
167.05298	0.4
168.00655	56.9
169.01392	5.9
170.01241	0.3
172.99211	0.3
175.03990	1.6
176.04810	1.0
179.03484	0.5
179.10748	0.4
185.11823	2.7
191.07144	1.2
193.05064	2.6
199.09798	0.7
207.06548	0.6
213.11432	0.4
213.19499	0.3
235.06129	3.0
241.10870	0.4
252.08797	0.3
265.07166	1.0
269.06677	0.4
293.09305	0.3
295.08133	0.3
313.05679	1.3
323.13522	4.1
330.02618	0.4
383.13474	0.4
415.41324	0.4
481.16711	0.8
499.18155	100.0
500.18289	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	499.2697
Annotation	Kadcoccilactone E
Peak:m/z	Relative Intensity
51.69334	0.3
54.82043	0.3
55.01876	0.3
57.03444	0.9
59.01377	16.5
60.01721	0.3
60.99306	1.1
61.98825	2.4
65.72701	0.3
69.03480	0.4
71.01369	0.6
71.05022	0.4
71.63340	0.5
73.02950	3.6
78.95905	0.5
83.05027	0.6
85.02943	0.4
89.02444	0.3
93.03465	0.4
95.01424	0.3
95.05008	0.2
96.95946	0.3
97.02938	0.5
97.06593	0.3
109.06628	0.5
113.02466	0.3
125.02477	0.6
127.04000	0.5
135.04567	0.4
137.02448	0.8
139.07654	0.6
159.04514	0.3
165.01906	0.7
165.97501	0.3
167.03587	0.3
183.13933	0.4
195.13940	1.6
211.13344	2.3
213.14966	0.6
237.14803	0.3
271.87646	0.3
309.18582	0.8
327.19284	0.3
339.23297	1.1
340.23767	0.4
349.25647	0.4
365.21060	0.7
377.24725	1.9
378.25558	0.4
391.22781	0.9
393.24457	1.0
394.24725	0.4
395.25751	1.0
405.28134	0.5
421.23798	8.1
422.24030	0.9
423.29117	0.3
425.29169	1.9
427.28525	0.6
437.31305	0.3
439.24881	56.2
440.25195	11.0
453.30283	3.2
454.30328	0.7
455.27332	0.5
469.29437	1.2
481.18741	0.4
499.26505	100.0
500.26932	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	499.1455
Annotation	kn-93
Peak:m/z	Relative Intensity
51.67884	0.4
51.81806	0.4
57.03439	0.9
57.31099	0.5
59.01370	1.2
59.45784	0.4
60.99305	3.7
65.03957	0.4
67.01885	9.3
69.03453	2.5
69.51466	3.8
69.51856	1.0
71.01382	3.1
81.03471	1.1
83.05020	1.2
85.02951	3.6
87.00882	11.7
90.31053	0.4
93.03465	62.7
94.03797	2.4
96.96032	0.8
99.00889	1.8
99.04498	1.0
103.68702	0.6
109.02962	1.1
111.04535	8.6
113.02457	0.8
119.05040	27.8
120.05402	1.0
126.90086	0.4
127.04021	1.1
129.01956	2.0
143.03671	0.5
143.56198	0.4
145.02965	1.9
146.08272	0.4
155.03531	2.8
157.94749	0.4
163.04015	19.4
164.04338	0.9
173.04568	17.9
174.04898	0.8
191.05617	72.5
192.05978	3.1
333.17072	0.4
337.09311	10.0
338.09653	1.1
379.10345	1.6
499.14520	100.0
500.14838	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	499.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91994	0.2
57.03441	1.0
58.00608	0.2
59.01374	2.2
60.99302	0.2
61.98836	0.6
67.01891	4.2
67.75126	0.2
69.03468	0.7
69.79109	1.0
71.01382	3.3
73.02937	0.3
81.03475	0.7
83.01389	0.4
83.05036	0.6
83.95667	0.3
85.02963	0.7
87.00892	0.5
89.02468	0.2
91.94367	0.2
93.03464	25.1
94.03815	1.0
101.02449	0.8
109.02979	0.8
111.00906	0.8
111.04540	4.5
113.02502	0.6
119.05039	22.1
120.05364	1.0
127.04019	0.3
131.66469	0.2
136.07701	0.3
137.02460	7.3
149.06129	0.6
155.03532	3.3
163.04022	24.4
164.04384	1.4
168.06720	0.4
173.04559	100.0
174.04898	4.4
179.03516	1.4
181.07178	0.3
191.05612	0.9
209.04556	0.4
239.05554	1.0
271.10907	0.3
277.11972	1.1
280.81299	0.2
299.07690	0.3
325.09271	3.2
337.09201	0.6
447.59448	0.3
463.14584	6.0
464.14801	0.9
499.14374	9.0
500.14545	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	499.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99393	0.4
55.31923	0.4
59.01377	6.9
61.98833	2.6
65.31467	0.4
67.01868	1.1
70.07033	2.0
70.07412	0.9
71.01376	7.6
73.02953	1.6
75.00892	0.5
83.01393	0.8
83.05003	0.7
85.02954	2.4
87.00890	0.8
89.02454	4.8
93.03467	34.1
94.03819	1.2
95.01387	0.7
95.30800	0.4
98.19919	0.7
99.00894	0.5
101.02450	6.8
108.08484	0.5
111.04523	1.6
113.02482	2.6
119.03509	1.2
119.05050	7.2
119.05829	0.9
131.03500	0.4
135.04521	0.8
136.01695	5.3
137.02467	77.2
138.02806	4.2
143.03557	0.5
149.02425	0.8
151.04010	2.4
155.03545	1.6
161.04497	0.6
163.04036	7.1
163.05365	0.5
163.06107	1.6
173.04575	28.1
174.04890	1.1
175.31129	0.5
179.03514	21.3
180.03914	1.3
181.07214	5.1
191.05669	1.4
205.07227	0.9
206.19273	0.5
209.04546	4.2
239.05608	16.5
240.05856	0.8
277.11755	0.9
281.06818	2.3
299.07751	1.8
325.11453	0.8
429.33249	0.5
463.14542	100.0
464.14899	11.5
499.14252	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	499.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
59.01375	1.3
60.99308	0.6
61.98828	6.4
67.01881	1.1
69.03458	0.7
69.47758	1.7
69.48177	0.6
71.01370	1.5
72.99313	0.6
73.02959	0.4
75.00903	0.4
75.29546	0.2
81.03471	0.5
83.01415	0.3
83.05028	0.8
85.02936	0.6
87.00888	1.8
88.98820	0.9
89.02459	1.1
93.03461	9.3
94.03808	0.3
96.96003	0.5
96.96965	0.4
98.19939	0.5
99.00886	0.5
99.04545	0.3
101.02450	1.0
109.02947	0.4
109.70087	0.3
111.04527	3.4
113.02493	0.6
116.92889	0.4
119.05036	92.8
120.05359	4.4
125.02343	0.3
129.01898	0.4
134.97560	0.3
137.02454	2.2
145.02910	0.3
155.03488	3.4
163.04018	100.0
164.04347	5.4
168.49413	0.3
173.04552	9.1
173.07944	0.3
177.01915	0.3
179.03467	0.8
191.05588	2.6
205.05058	0.3
239.05696	0.6
277.12021	0.3
319.08551	0.3
325.09271	13.6
326.09579	1.1
327.05084	0.3
337.08334	1.1
463.14410	1.4
499.14468	31.4
500.14804	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	498.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61205	0.5
54.98231	0.4
57.06131	0.5
59.01380	6.7
60.55506	0.4
61.98829	7.4
68.54261	0.5
69.03458	1.7
71.01381	4.4
71.58739	0.8
72.99293	0.9
73.02944	1.1
75.00864	3.8
78.95898	0.7
81.03436	0.9
83.01390	1.6
84.04537	0.5
85.02963	3.0
87.00866	1.6
89.02457	2.7
91.01897	0.8
93.03481	2.4
95.01389	1.2
96.96022	0.9
96.96950	1.0
97.02966	3.1
99.00881	0.9
101.02427	3.2
107.01359	1.1
108.02168	0.8
109.02933	1.7
110.02453	0.7
111.00861	1.0
112.04058	3.7
113.02449	1.7
116.32137	0.5
119.03506	0.7
119.04991	0.5
122.06120	0.9
123.00886	6.5
123.04538	1.0
124.01683	16.1
124.04043	4.0
125.02461	40.5
126.02800	1.2
126.52068	0.5
131.03529	1.1
133.02916	0.6
133.90211	0.6
135.00906	0.5
135.04526	1.1
136.01579	0.8
136.07689	1.0
137.02454	6.1
138.05565	0.6
140.07156	1.3
143.03477	0.6
145.02916	1.0
149.02486	0.7
149.99596	26.9
151.00410	3.5
151.03996	1.4
161.02507	3.8
161.04535	0.8
162.02800	1.7
165.01970	0.6
166.05087	8.0
167.03468	1.4
168.00650	51.9
169.01436	6.4
173.04584	1.1
177.04007	1.4
178.99850	1.4
179.03500	0.8
184.06148	4.3
191.05516	1.1
193.01424	0.8
195.05104	0.9
208.06223	0.7
209.04668	0.5
217.16945	0.5
269.06702	0.6
289.07187	0.6
307.17508	1.8
313.05582	2.7
331.06750	1.6
386.59229	0.6
407.86359	0.6
424.41452	0.5
439.21753	4.6
480.11371	1.5
498.12418	100.0
499.12726	12.9
499.19479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03245	0.5
57.03508	1.4
59.01126	0.5
59.01442	4.6
61.98900	3.2
67.01934	0.4
68.99893	1.6
69.03539	1.1
71.01466	4.3
72.99356	0.8
73.03020	1.4
75.00959	3.8
75.14175	0.4
78.91956	0.5
78.96000	2.0
83.01044	0.4
83.01485	1.3
85.02494	0.4
85.03047	5.8
87.00882	2.5
89.02551	1.6
93.03468	2.7
95.01495	1.2
96.96025	5.4
96.96965	3.0
97.03027	0.8
99.00892	4.7
101.02456	3.7
106.83670	0.4
109.03039	0.5
111.00871	2.2
111.04653	0.5
111.08270	1.5
113.02454	6.7
113.99599	12.3
115.00386	4.9
117.02047	1.3
119.03556	0.8
119.05151	1.1
123.04604	0.4
125.02428	1.7
127.00389	3.3
129.01945	4.2
131.03554	0.5
132.62527	0.4
133.03078	0.6
134.03802	0.4
135.04552	2.7
136.07741	0.5
137.02576	1.4
139.00464	0.9
141.02020	0.7
145.03113	0.7
148.22353	0.4
149.00806	0.6
151.04115	0.6
156.00717	0.8
157.01427	4.9
159.03113	0.4
161.02556	1.3
163.04118	1.6
169.01523	1.5
173.04665	1.6
173.08162	1.9
174.01720	12.9
175.02541	1.6
175.92572	0.3
177.04103	1.9
177.05554	0.4
179.03575	1.2
181.07100	0.3
187.09801	0.4
191.04042	0.6
191.05576	2.9
192.99809	0.7
195.05083	3.5
203.12959	0.5
220.09859	0.5
243.96941	0.4
277.05649	26.1
278.06073	1.4
313.11432	0.6
319.06683	1.5
321.15628	0.9
335.09839	0.5
337.07748	100.0
338.08109	6.8
341.10544	0.5
388.01172	0.4
439.08710	0.5
481.09500	0.6
498.67786	0.4
499.10715	29.4
499.20895	4.9
500.10965	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	497.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
58.00571	0.3
59.01363	0.6
59.83885	0.2
61.98814	0.5
69.03410	0.2
69.49451	1.9
71.05017	0.3
71.93343	0.2
72.99294	0.6
74.84646	0.2
75.00867	0.2
83.05025	0.4
85.02956	0.9
87.04516	2.1
103.00658	0.2
105.48509	0.2
115.04020	0.7
160.09790	0.3
171.98457	0.3
188.32451	0.2
197.19113	0.2
225.22282	0.3
269.21121	1.0
293.23071	0.2
307.24231	0.5
353.24963	0.3
365.28513	0.6
375.26917	0.3
387.27112	0.3
393.28058	0.4
395.29440	0.3
397.27704	0.2
405.27823	0.4
409.31009	0.4
410.31900	0.3
423.29050	3.3
424.29398	0.4
453.29907	1.1
467.28113	1.0
474.86615	0.2
497.29059	100.0
498.29398	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	498.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93709	0.1
59.01377	0.5
59.88623	0.1
59.90191	0.1
61.98827	100.0
69.40604	1.5
71.01381	0.3
75.68290	0.1
76.62766	0.1
80.91667	0.2
81.03480	0.2
84.21012	0.1
84.25692	0.1
85.02979	0.2
87.91657	0.1
89.02441	0.2
93.03472	0.5
98.20704	0.2
109.02962	1.4
113.02438	0.2
117.03456	0.2
119.05030	0.2
123.04527	1.4
125.02491	0.2
133.02928	0.2
137.02507	0.3
145.02945	1.0
147.04587	0.3
151.04028	0.6
161.02480	0.3
163.04103	0.3
175.03909	0.2
177.01932	2.5
189.01958	4.7
189.03635	0.3
190.02669	1.0
191.03520	0.9
203.03560	0.5
216.00600	0.7
217.01398	3.7
218.02005	0.3
218.09120	0.1
219.03012	1.5
231.03032	1.1
232.03645	0.2
271.06204	0.4
283.06174	0.2
289.07172	0.6
311.05649	0.8
323.13394	0.2
341.06647	11.3
342.07150	1.0
414.91229	0.2
435.10831	13.6
436.11206	2.3
452.14410	0.1
499.18686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01380	2.5
61.98831	100.0
63.89381	0.1
69.03449	0.2
71.01388	2.0
71.66196	0.2
72.99339	0.2
73.02959	1.0
75.00885	0.5
78.56921	0.1
78.91903	0.3
80.91698	0.4
81.03430	0.2
82.87549	0.1
83.01405	0.3
83.04945	0.1
85.02966	0.8
87.00899	0.2
88.98824	0.2
89.02431	0.9
93.03474	0.4
95.01428	0.2
99.00890	0.3
99.04514	0.2
101.02446	1.1
108.02190	2.3
109.02413	0.3
109.03094	0.9
110.03313	0.3
111.00893	0.1
111.04563	0.1
113.02438	0.9
119.03537	0.4
119.05045	0.4
121.02975	0.6
123.04552	0.4
124.01705	0.3
124.07749	0.1
125.02456	1.1
129.01994	0.1
129.66022	0.1
135.04520	0.2
135.08165	1.1
137.02481	0.7
138.01976	0.7
143.03531	0.1
145.02963	0.7
147.04489	0.2
149.02527	0.2
149.06062	0.1
151.00388	0.3
151.04088	0.2
151.07626	0.2
152.01181	1.6
153.01671	0.8
160.01672	0.2
161.02446	0.3
161.04555	0.4
161.05956	0.2
161.09785	0.2
162.03291	0.2
163.04002	0.4
165.01967	0.3
168.00685	0.2
173.04610	0.3
175.04021	0.4
177.01979	0.2
177.05562	0.3
178.05914	0.2
179.03517	0.2
179.10805	0.5
179.79173	0.1
189.02005	0.2
191.03726	0.1
191.05544	0.2
217.01358	0.2
221.08411	0.1
240.46735	0.2
267.07217	0.2
271.06256	0.2
282.09698	0.2
283.10214	0.2
292.14029	0.2
297.11942	0.2
298.12286	0.2
337.23657	0.2
341.06757	0.4
342.06982	0.1
421.19870	0.3
422.20068	0.2
435.10837	0.3
466.18906	0.6
473.15686	0.2
497.20282	0.7
497.31195	0.3
497.69165	0.2
498.21027	5.1
499.21042	0.7
499.33569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2906
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
57.03447	0.8
59.01358	0.5
61.98830	1.3
65.16549	0.1
69.38857	0.1
71.36268	0.2
72.99313	6.5
83.05033	0.4
85.02956	0.2
87.04493	0.4
97.02952	0.1
97.06535	0.2
99.04539	0.1
104.92385	0.1
108.02204	0.1
113.02468	0.4
115.04000	0.1
135.08170	0.1
199.26379	0.1
215.48468	0.1
293.22690	0.2
307.24176	0.2
319.24362	0.5
321.22156	0.3
333.25873	0.9
334.26199	0.2
349.25385	0.2
351.27234	0.2
353.24841	0.1
363.27133	0.4
365.28458	1.3
366.28876	0.3
367.30148	0.2
375.27136	0.1
377.28613	0.2
379.30084	0.3
391.26526	0.4
393.28040	0.6
395.29416	0.6
397.27499	0.2
405.27771	0.3
407.22214	0.2
407.29514	2.1
407.34424	0.2
408.29831	0.3
423.29346	0.2
425.30569	0.6
426.31445	0.2
451.28384	0.4
453.30075	4.5
454.30328	0.8
463.98584	0.2
495.65262	0.1
497.29068	100.0
498.29419	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	497.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59296	0.2
57.03435	0.8
58.74996	0.2
61.98888	0.2
71.06767	0.5
72.99310	11.8
83.05032	0.4
85.02955	0.4
96.38130	0.2
97.02960	0.4
136.39857	0.2
175.11227	0.2
185.54213	0.2
288.83871	0.2
311.79498	0.2
323.23840	0.3
347.27338	0.3
365.28452	2.2
366.29050	0.4
375.26868	0.6
377.28452	0.5
393.27863	0.7
394.28436	0.2
395.29639	0.9
453.30045	0.7
497.29034	100.0
498.29379	18.5
498.37155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2906
Annotation	Globostellatic acid F
Peak:m/z	Relative Intensity
50.52323	0.2
57.03449	1.0
58.00574	0.4
59.01373	0.2
70.65131	0.7
71.05016	0.3
72.99311	0.7
85.02958	1.0
87.04517	2.3
88.04876	0.2
98.69278	0.2
113.06113	0.3
115.03996	0.4
118.74107	0.2
135.08141	0.3
176.62386	0.2
186.80647	0.2
198.73882	0.2
216.93559	0.2
245.50098	0.2
269.26877	0.2
304.73727	0.2
307.24280	0.4
321.22058	0.3
361.28625	0.2
365.28607	1.0
375.26855	0.3
377.28745	0.3
381.24213	0.3
387.27087	0.3
393.27869	1.0
395.29630	0.5
405.28015	0.4
410.31403	0.2
423.29050	3.8
424.29318	0.8
449.26572	0.2
453.29968	1.5
467.27780	1.0
469.30151	0.2
497.29050	100.0
498.29373	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	497.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74541	0.1
58.22557	0.1
59.01363	0.4
61.98832	1.4
65.45388	0.2
69.30447	1.6
69.30860	0.4
98.89236	0.2
101.89903	0.2
104.38884	0.2
115.03960	0.2
192.52017	0.2
264.96085	0.2
393.27866	0.8
394.28711	0.2
395.29681	0.3
410.68668	0.2
497.29028	100.0
498.29364	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00730	0.5
55.89170	0.5
57.03444	1.1
58.00591	1.2
59.01374	4.8
61.98830	40.2
67.17336	0.4
69.03444	0.9
69.62964	3.3
71.01372	3.0
72.99313	1.9
73.02958	1.6
75.00888	0.5
81.03460	0.7
81.51265	0.4
83.05036	0.7
85.02967	2.6
87.00858	0.6
87.04519	9.1
89.02451	0.9
93.03482	0.8
94.81054	0.4
95.05043	1.1
95.95174	0.5
97.02957	1.6
97.06588	0.7
99.04522	1.0
101.02460	2.7
108.02187	0.5
109.02972	1.0
111.04526	0.7
113.02454	1.3
119.05033	0.6
122.03773	1.2
123.04536	100.0
124.04860	4.2
125.02447	1.5
125.06083	1.1
135.04588	0.6
135.08176	1.3
137.06119	0.8
137.09723	7.3
138.10060	0.6
139.07655	1.9
139.11279	0.9
141.09253	0.6
145.02896	0.7
151.11256	1.0
152.01178	0.6
153.05589	95.0
154.05939	5.5
155.10791	38.2
156.11124	2.2
160.01627	0.6
163.04041	0.6
167.10732	1.6
169.12357	1.7
169.77281	0.5
177.01982	1.1
179.03450	0.5
179.10773	3.8
181.08722	3.5
181.12311	0.7
189.01926	1.8
191.10805	3.0
193.12436	0.7
195.10313	2.1
199.09766	33.4
199.13420	1.3
200.10109	2.1
213.11295	2.0
217.01353	2.4
223.09785	1.0
224.39554	0.5
225.11234	0.7
227.12938	1.0
237.11311	1.4
241.08571	1.0
241.10811	9.7
242.11046	0.5
253.10736	3.0
255.12315	2.4
283.11853	16.9
284.12216	1.4
299.60928	0.5
341.06769	4.1
343.13919	11.4
344.14346	1.3
376.05103	0.5
435.10800	6.4
497.20288	53.9
498.20688	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	497.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87996	0.4
55.01875	2.6
57.03441	2.7
58.00593	1.7
59.01377	44.7
60.01704	0.9
61.86715	0.4
61.98829	11.5
69.03457	0.7
70.47927	1.0
70.48319	1.0
71.01383	36.0
72.01708	0.8
72.99313	2.5
73.02537	0.8
73.02946	12.0
75.00860	0.6
78.95895	1.6
81.03483	0.6
82.23209	0.5
83.01387	7.9
83.05017	0.5
84.01737	0.6
85.02956	17.9
87.00875	2.4
89.02449	16.2
89.02998	0.8
95.01385	1.7
95.04996	0.4
97.02966	1.4
99.00893	5.1
99.04530	0.8
101.02452	34.7
102.02799	0.6
109.02970	0.7
111.00884	3.1
113.02459	12.2
115.04035	0.9
119.03504	1.5
119.04980	0.5
123.04530	1.5
123.08213	0.4
125.02457	2.8
129.01973	1.3
131.03516	13.0
132.03847	0.6
135.08209	1.0
137.02454	1.3
143.03502	1.3
149.02567	0.5
149.04576	3.8
151.00471	0.7
151.07663	1.0
152.01117	0.6
152.99553	2.1
159.03004	1.4
160.01712	0.7
161.04546	7.0
165.01863	1.2
167.03511	2.3
175.04086	0.6
191.03459	0.8
191.05574	1.0
195.89459	0.4
201.11244	0.5
205.05164	0.4
209.11845	0.4
214.68727	0.4
229.15959	0.8
233.06639	1.6
305.19675	33.2
306.20081	3.1
309.16977	1.1
335.22305	2.8
437.23901	100.0
438.24261	13.5
478.92572	0.5
479.30219	1.5
497.16724	1.0
497.20383	0.7
497.26950	8.3
498.17618	0.8
498.27850	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	497.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01394	3.2
59.01637	0.5
69.60162	0.6
71.01389	2.0
71.02940	1.3
73.02941	1.6
81.03472	0.8
85.02953	1.9
87.04509	3.8
89.02444	1.6
95.01404	0.8
97.02986	1.0
108.02184	45.4
109.02983	29.8
110.03326	0.6
119.21004	0.5
123.00911	1.2
123.04546	0.8
125.02481	1.0
135.08112	1.2
137.09753	5.5
143.10800	2.1
151.03983	0.6
152.01175	67.6
153.01967	26.5
154.02315	1.4
155.10800	21.7
156.11127	1.5
163.04042	0.9
163.11351	0.8
165.01854	0.8
169.12289	0.9
179.10809	1.6
181.08742	1.6
195.10429	0.6
199.09824	5.2
213.11270	0.8
223.09901	0.7
241.10869	1.1
255.12392	1.2
283.11847	1.7
293.08704	1.4
382.44080	0.6
453.17661	3.0
463.23071	0.6
497.16620	100.0
498.16971	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	497.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
55.02188	0.4
57.03455	2.3
58.00589	1.1
59.01377	25.0
60.13717	0.5
60.99299	0.5
61.40937	0.4
61.98834	4.1
67.37569	0.4
67.80807	0.5
69.03452	0.8
71.01387	21.1
71.64965	0.5
72.99311	8.1
72.99709	0.3
73.02945	7.1
75.00877	17.3
80.05022	0.5
83.01392	1.7
85.02954	7.9
87.00868	4.1
88.15974	0.5
88.98797	3.3
89.02449	15.9
89.99139	0.5
90.99200	0.6
91.00378	2.2
93.03460	0.6
95.01403	1.0
97.02956	1.5
97.06581	1.8
99.00895	2.8
99.04515	0.6
101.02460	14.0
109.06612	4.1
111.00914	1.2
111.08173	2.0
113.02473	6.5
115.04046	0.6
119.03510	5.8
121.02943	0.5
123.08175	0.5
125.02449	1.5
127.07664	17.5
128.08003	0.7
129.01956	4.2
131.03494	1.2
133.02985	0.5
135.04573	1.1
137.02487	0.8
138.05634	0.8
139.07693	1.7
141.01929	0.7
141.05576	1.6
141.09238	6.6
143.03433	0.8
145.02986	0.5
149.04518	0.8
151.07666	1.9
153.01927	0.8
153.09335	0.6
157.08623	0.9
159.03027	1.2
161.02454	1.4
161.04558	1.8
163.06110	2.8
166.05049	0.7
168.00661	1.3
169.08646	0.9
171.06639	5.0
173.04636	0.7
177.04059	12.7
179.03534	1.0
179.05669	1.1
181.07178	7.4
181.08665	0.8
195.05042	0.9
205.07164	0.4
215.09193	0.8
297.12006	1.0
305.16144	0.8
313.11478	0.5
319.13907	4.6
325.11426	2.0
328.10480	0.8
335.07791	1.0
343.12396	3.8
344.12961	0.7
372.09399	1.8
379.15961	1.3
437.20132	0.5
461.16553	3.7
479.17242	0.5
497.18735	100.0
498.12354	1.4
498.18997	10.7
521.84625	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01380	1.3
59.01365	6.0
71.01378	5.4
71.58068	2.0
72.99303	4.2
73.02928	2.0
75.00864	3.9
78.95901	5.8
81.03471	1.5
85.02955	4.4
87.00867	2.3
89.02434	3.4
96.96952	6.1
99.00869	1.5
100.04067	2.3
101.02457	3.0
102.98885	2.8
108.01460	2.9
108.02184	59.0
109.02979	19.1
113.02457	2.9
114.98872	1.8
121.02918	1.5
125.02396	1.6
137.02438	2.7
138.05583	1.3
144.02921	1.6
149.00697	7.8
151.03972	2.7
152.01163	54.8
153.01927	22.1
156.99892	1.8
163.04012	2.8
165.01933	2.0
165.04063	3.0
167.65485	1.6
172.99425	6.2
184.99362	2.8
192.99693	7.1
215.00453	14.4
227.00455	2.5
236.98656	2.2
245.01517	4.1
275.02560	2.9
285.19907	1.4
315.07190	100.0
316.07489	8.9
335.04715	2.3
341.10593	1.5
399.03867	1.6
497.18478	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	497.166
Annotation	Globulusin B
Peak:m/z	Relative Intensity
53.79269	0.2
57.13452	0.3
59.01374	3.0
61.98830	2.2
68.31726	0.3
69.03451	3.0
71.01383	2.6
79.01908	0.4
81.03458	0.9
83.01390	1.1
85.02976	0.7
89.02462	3.1
95.01382	1.6
97.02966	2.9
101.02466	1.0
107.01411	1.3
108.02171	0.8
109.02973	1.2
113.02499	0.3
118.61274	0.3
121.03001	0.3
123.00892	6.6
123.04607	0.3
124.00740	0.7
124.01672	22.7
125.02460	52.3
126.02811	1.4
131.03508	0.9
137.02466	2.6
139.04140	0.4
141.76649	0.3
143.10788	4.5
147.04517	0.3
149.02489	0.4
149.04552	1.8
149.99594	29.7
151.00397	3.2
152.01144	0.6
153.01944	0.9
155.10684	0.4
161.02599	0.3
167.03481	0.9
168.00648	59.1
169.01358	4.9
191.03508	0.5
219.33763	0.3
261.07626	2.5
293.08792	2.3
313.05557	1.1
420.13702	0.3
497.16605	100.0
498.16956	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	496.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
57.43409	0.1
59.01373	1.3
59.98642	0.2
61.98829	100.0
62.98521	0.2
63.99266	0.2
65.00337	0.2
69.67960	0.9
71.01395	0.9
71.21688	0.1
72.99319	0.2
75.00880	0.3
78.95905	0.1
81.03476	0.2
83.01395	0.8
85.02982	0.4
87.00906	0.2
89.02474	0.5
93.03481	0.6
95.01410	0.2
98.20620	0.2
99.00888	0.1
101.02466	0.5
107.01424	0.5
108.02201	0.5
109.02995	0.7
113.02460	0.3
117.03512	0.4
119.05067	0.5
121.03012	0.2
123.04558	0.4
124.01659	0.2
125.02455	1.9
133.02989	0.2
134.03806	0.3
136.57246	0.1
137.02480	0.6
143.04973	0.2
145.02992	0.7
149.99644	0.1
151.00397	2.6
151.01535	0.2
151.03922	0.3
152.01207	0.5
153.02023	0.4
155.10818	0.3
156.11185	0.2
160.01695	0.3
161.02466	1.1
163.04089	0.4
166.05147	0.3
167.03516	0.1
168.00690	0.5
169.01430	0.9
173.04602	0.5
175.00455	0.2
175.04048	0.6
177.02005	0.4
177.04028	0.1
178.02426	0.1
183.10435	0.1
189.02016	0.4
190.02423	0.2
191.03282	0.2
191.05678	0.3
193.05067	0.2
211.07695	0.2
213.82547	0.2
217.01384	0.3
218.01880	0.2
255.03032	0.2
271.02551	0.3
271.10898	0.1
272.11255	0.4
300.02878	0.5
301.03558	0.8
341.06842	0.2
342.07153	0.6
368.55365	0.1
391.88123	0.1
404.12985	0.2
419.15036	0.3
433.07703	0.9
434.08252	0.2
461.14606	0.2
479.17215	0.3
496.13461	0.3
497.16513	5.4
516.70789	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	496.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01378	9.2
61.13695	0.5
61.98831	75.5
63.99238	0.9
71.01383	6.4
71.56767	0.6
71.57182	0.6
72.99315	1.0
73.02959	2.5
75.00872	1.9
78.91885	1.5
80.91708	0.9
81.03465	0.9
83.01389	1.4
85.02962	3.9
87.04520	1.1
88.98820	1.9
89.02460	2.3
91.00303	0.5
93.03484	2.3
95.05042	0.8
96.95993	0.6
97.02991	1.0
99.00889	1.3
99.04569	0.7
101.02448	3.7
108.02191	10.7
109.02974	6.8
111.00914	0.7
113.02475	2.2
115.67573	0.5
116.99966	0.6
117.03461	1.0
117.61905	0.5
119.05037	2.8
121.02995	2.1
122.03704	0.6
122.06194	1.3
123.00877	0.8
123.04568	2.6
124.01719	0.6
124.07692	4.6
125.02497	3.7
129.35419	0.6
133.02995	1.4
135.04581	3.4
135.08183	1.6
137.02452	3.6
137.09764	2.4
137.30818	0.6
138.10101	1.0
141.63197	0.6
144.04561	8.3
145.02943	4.4
146.06113	0.8
147.03288	0.9
147.04550	0.6
149.02438	1.0
149.99683	0.7
150.03223	0.8
150.05629	1.0
151.00401	2.6
151.04024	1.5
151.07661	0.9
152.01161	9.6
152.99496	0.7
153.01965	4.9
155.10803	9.7
156.11111	6.0
160.01700	1.6
160.04097	2.0
161.02448	3.3
161.04633	3.4
162.03146	1.4
162.05626	2.3
163.04016	2.9
165.01941	1.6
168.00629	1.6
172.04042	5.0
173.04663	4.0
174.05617	2.2
175.03998	2.2
177.01973	2.0
177.04105	0.8
177.05609	2.2
188.03584	2.4
189.01971	1.8
189.04303	1.0
190.02634	0.6
190.04984	0.9
191.05650	1.1
199.09756	2.5
200.10164	1.9
203.05746	4.1
204.06647	10.4
205.07019	0.9
212.05901	5.1
217.01428	1.1
223.08687	0.9
225.06691	2.1
225.10216	0.8
227.11920	0.8
228.12650	0.6
229.08557	1.0
237.10300	5.9
238.11102	0.7
239.08221	5.4
240.09038	1.8
241.09818	1.7
251.11925	4.1
252.12645	5.3
253.06169	7.1
253.09785	5.8
255.11469	1.5
263.08331	0.9
265.06152	0.7
266.06903	1.8
267.07785	8.4
267.11417	2.2
268.08597	3.9
268.12024	2.9
269.09033	0.9
269.12912	4.5
271.02536	0.7
271.06076	1.1
277.09827	0.9
279.07822	0.9
279.11285	1.2
280.08621	2.7
281.09296	14.1
282.05151	0.6
282.09875	0.9
284.11630	1.2
285.03748	0.7
285.08902	1.8
287.05582	1.5
289.07178	1.7
294.09872	0.7
295.10883	8.5
296.11627	21.5
297.12180	3.3
299.10321	3.4
300.02765	1.0
300.11121	1.6
301.03494	1.1
311.10364	1.0
312.11133	0.8
313.11942	5.8
322.09567	1.0
327.13589	3.3
328.10675	9.2
328.14316	1.9
335.22418	0.8
340.10693	1.9
341.06689	1.7
342.06961	4.6
346.15674	1.1
360.13312	1.2
372.13327	1.2
376.20313	2.3
390.14450	0.9
418.17874	1.0
420.19232	26.9
421.19635	4.0
433.07828	1.4
433.24585	1.1
436.11166	2.3
446.17450	1.1
452.20309	12.8
453.20782	1.1
464.18259	30.4
465.18564	3.8
478.19724	2.3
479.17450	0.9
496.20853	100.0
497.20972	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48364	0.2
52.72527	0.1
59.01390	0.8
61.98826	100.0
71.01386	0.7
71.13832	0.2
72.99323	0.2
73.02959	0.2
73.77114	0.2
75.00875	0.3
85.02950	0.2
87.00893	0.2
88.98820	1.0
89.02470	0.7
90.01986	0.2
91.00372	0.2
93.03481	0.5
101.02476	0.4
113.02505	0.3
116.92777	0.2
127.07655	0.3
136.01648	0.2
137.02470	1.7
144.66960	0.1
150.03230	0.2
151.04033	0.2
151.06204	0.2
159.34190	0.2
163.04059	0.2
171.06721	0.2
179.03572	0.4
179.05621	0.2
198.92296	0.1
217.94821	0.1
239.05624	0.2
272.06854	0.2
287.09253	0.4
335.11292	0.3
349.12018	0.2
433.13474	2.8
434.13718	0.3
437.16608	0.4
497.19275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36317	0.6
55.01871	2.2
55.49573	0.5
57.03448	1.9
58.00594	0.6
59.01380	16.5
60.01694	0.9
61.98831	35.5
64.57989	0.5
65.00342	0.5
66.72963	0.4
67.01888	0.5
68.80896	0.4
69.03447	0.9
70.52661	2.2
71.01386	29.2
72.01731	3.6
72.99321	1.2
73.02946	9.4
74.21368	0.4
75.00871	0.9
77.96919	0.4
78.91891	0.8
78.95918	0.6
81.03432	0.7
83.01380	4.7
85.02956	11.7
86.03300	2.3
87.00881	1.2
89.02449	6.7
90.02778	0.6
93.03487	2.4
95.01399	2.0
97.02962	1.2
99.00886	3.3
99.04510	0.8
99.61125	0.5
100.01205	0.7
101.02459	22.1
102.02795	3.9
107.01386	0.9
108.02148	1.3
108.04530	0.8
109.02990	2.5
111.00874	0.6
113.02467	11.1
113.75408	0.6
114.02785	2.3
117.03442	0.6
119.03510	2.3
119.05024	2.4
120.03838	0.6
121.02940	1.0
122.06129	1.0
123.04523	0.9
124.01671	1.7
125.02456	5.9
129.01958	0.6
132.02139	0.5
135.04536	1.4
137.02455	2.2
138.05592	0.5
143.03537	1.3
144.04620	5.4
145.02994	3.5
146.06128	1.1
147.03212	0.6
149.04828	0.4
149.99590	1.9
150.03192	0.5
150.05637	1.4
151.00407	2.8
151.07664	0.8
152.01114	1.9
152.07190	0.7
153.01964	3.8
155.10812	0.6
155.14833	0.5
159.03038	2.4
160.01714	0.7
160.04060	1.5
161.02383	1.5
161.04599	17.4
162.03555	0.7
162.04915	3.0
163.04019	1.5
165.01877	1.7
168.00659	3.2
169.01456	0.6
172.04068	4.3
173.04712	3.3
174.05557	1.7
175.04033	1.2
177.01978	0.6
179.05681	1.1
188.03519	1.4
190.05106	0.8
191.05611	0.6
202.04955	0.5
203.05777	3.0
204.06638	7.6
205.03542	0.7
212.05951	4.8
213.10188	0.6
223.08693	0.8
225.06659	2.3
225.10118	0.5
227.11850	0.9
232.49669	0.6
237.10309	5.6
239.06090	0.6
239.08279	5.5
240.08948	2.6
241.09825	1.2
251.08267	0.7
251.11902	3.8
252.12640	4.6
253.06180	5.1
253.09756	5.6
253.12837	0.7
254.06461	0.8
254.10518	1.6
255.11345	1.9
260.44534	0.5
265.06131	0.6
266.06998	3.0
266.09692	0.5
267.07703	9.3
267.11276	2.4
268.08548	4.2
268.11972	3.8
269.09280	0.5
269.12894	3.5
271.03168	0.6
271.06122	1.3
278.10635	0.6
279.07751	1.9
279.11237	1.0
280.08585	3.0
281.09314	15.1
282.09769	2.1
284.11545	1.6
285.03732	0.7
285.08847	2.1
287.05585	1.0
289.07153	1.0
293.09286	0.5
294.10007	0.6
295.10880	7.8
296.11618	19.2
297.12079	3.1
298.09772	1.0
299.10394	3.5
300.02737	0.9
300.11072	2.1
301.03589	0.5
305.09747	0.5
310.09818	0.6
311.10468	1.1
313.12042	4.5
321.08835	0.6
322.09512	0.7
323.10086	0.6
327.13403	2.9
328.10675	6.8
328.14285	1.7
334.24704	1.8
340.10574	1.3
360.13193	1.5
367.11926	0.5
372.13205	1.7
376.20267	1.4
377.19092	0.7
378.23608	0.7
418.17667	1.2
420.19244	18.7
421.19559	2.3
433.07834	1.0
433.24182	0.8
446.16928	1.3
452.21994	3.1
453.22049	0.7
464.18222	18.1
465.18704	2.9
478.19833	1.8
496.20831	100.0
496.29688	17.4
497.21094	19.0
497.30899	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	496.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
61.02682	0.4
61.98827	59.5
62.65215	0.4
63.02382	0.6
63.48520	0.4
65.00336	0.9
68.25320	0.5
69.61684	3.1
71.01382	1.4
77.02156	0.5
83.01373	1.2
85.02969	0.8
89.02470	1.4
93.03458	0.9
99.00901	0.5
101.02463	1.2
105.52748	0.5
107.01384	2.5
108.02222	0.5
109.02970	2.2
113.02450	0.8
121.02962	2.6
125.02438	0.7
125.07556	0.5
126.49934	0.4
137.02477	0.7
145.03032	0.6
148.01709	1.2
149.02490	1.0
151.00389	13.0
152.01109	0.5
153.01955	0.6
156.60457	0.4
161.02469	0.5
163.00383	3.7
164.01083	0.7
164.40215	0.5
169.01450	0.6
178.99884	6.9
183.04532	0.5
201.05389	0.6
211.04037	1.2
215.03476	0.7
226.02669	0.7
227.03490	2.3
229.05042	1.0
243.02962	7.0
244.03384	0.6
245.04568	2.0
254.02155	1.9
255.02954	21.7
256.03329	2.0
257.04581	0.6
271.02448	39.6
272.02869	4.9
273.04016	1.4
283.02396	2.0
299.02182	0.9
300.02747	83.1
301.03488	75.5
302.03848	7.2
433.07742	100.0
434.08121	12.5
435.25885	1.1
436.26483	0.6
484.61826	0.5
497.17331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08615	0.3
61.98826	100.0
70.23345	1.2
98.20554	0.5
123.88020	0.3
163.46819	0.3
210.64619	0.3
211.95319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49195	0.1
59.01380	1.4
60.99311	0.3
61.98832	100.0
62.98547	0.2
71.01380	1.3
71.58858	0.3
72.99301	0.3
73.02969	0.4
75.00867	0.3
78.95927	0.4
85.02953	0.6
87.00887	0.4
88.04042	0.3
88.98835	0.5
89.02479	0.8
89.30374	0.2
93.03502	0.4
96.96061	0.4
96.97007	0.3
99.00883	0.3
101.02480	0.6
106.36950	0.2
113.02516	0.4
116.92854	0.3
119.04965	0.2
123.04585	0.2
125.02504	0.2
127.07680	0.6
127.58191	0.2
135.04564	0.3
135.26451	0.1
137.02444	1.0
138.03239	0.2
145.02966	0.3
146.08264	0.5
151.04016	0.2
151.06203	0.2
151.07539	0.2
155.10823	0.2
161.02573	0.3
161.04524	0.2
165.01993	0.2
166.05070	0.2
167.18454	0.2
171.06873	0.2
173.04521	0.2
177.04094	0.4
179.03511	0.5
181.07286	0.2
191.05647	0.2
195.05116	0.3
218.10429	0.5
287.09274	0.4
319.13977	0.2
433.13480	1.8
434.14285	0.2
496.17499	0.3
497.19272	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
58.00595	0.5
59.01378	7.8
61.98833	6.5
69.03439	0.5
69.14910	0.4
69.59769	3.0
69.60113	0.5
71.01389	6.7
72.99319	0.5
73.02949	3.5
75.00867	3.7
77.63680	0.5
83.01374	0.5
85.02946	2.0
87.00871	0.9
87.04527	2.8
89.02461	3.8
95.01394	0.4
97.02971	1.0
98.20747	0.4
99.00877	0.8
101.02453	4.1
113.02460	1.7
119.03542	1.3
125.02444	1.6
126.02860	0.7
135.08186	2.0
137.02521	0.4
137.09734	10.8
139.11317	0.7
149.99602	0.7
150.35127	0.4
151.00021	0.5
151.06140	7.7
151.11320	0.4
155.10797	72.2
156.11099	3.0
161.02515	1.0
168.00699	1.8
169.01047	0.4
169.12370	1.4
170.01085	0.9
179.10822	0.6
181.08754	1.9
191.10875	0.5
199.09770	24.6
200.10092	1.5
213.11281	1.8
241.10786	6.1
242.11243	0.5
255.12352	0.4
259.83099	0.5
283.11847	0.5
313.11240	0.5
331.06662	0.6
332.06824	0.8
333.07208	1.4
333.19113	0.6
495.10696	4.8
495.20798	100.0
495.32144	3.1
496.21173	12.7
496.32101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.275
Annotation	Ardisenone
Peak:m/z	Relative Intensity
58.88735	0.3
59.01377	2.9
61.98834	3.3
67.34148	0.2
70.73929	0.3
70.74275	0.6
72.99316	0.4
78.95905	0.4
83.05032	1.2
88.08524	0.2
97.06619	0.2
152.99614	0.2
155.10657	0.2
206.33664	0.2
211.13240	0.3
215.78816	0.2
310.06973	0.3
391.26511	0.7
410.93158	0.3
417.33545	0.4
419.26105	0.3
465.70862	0.3
495.27496	100.0
495.36166	3.6
496.27832	20.3
496.36600	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.9
61.98827	67.3
64.00609	0.5
65.00329	0.6
69.49688	1.2
69.50092	3.3
71.01368	6.0
72.99309	0.8
73.02927	1.5
75.00877	4.9
75.11436	0.5
76.81890	0.5
78.95908	0.6
79.95738	0.5
83.01389	1.2
85.02955	2.0
87.00909	0.7
89.02453	3.2
90.39444	0.5
92.71767	0.5
93.03468	2.9
94.05527	0.5
95.01405	0.6
97.02931	0.7
99.00917	0.7
101.02445	3.2
104.93388	0.5
107.01383	1.6
108.02187	2.2
109.02963	2.3
113.02452	2.5
117.03486	0.6
119.03455	0.7
119.05037	1.4
121.02946	1.6
125.02441	2.3
137.02415	3.0
145.02948	1.6
148.01761	0.7
149.99579	0.9
151.00366	9.1
152.01108	1.0
152.90508	0.6
153.01932	1.4
155.10767	2.3
156.11076	0.9
159.03232	1.8
160.04059	7.8
161.02405	1.8
161.04544	0.8
163.00348	2.2
163.04036	0.6
169.01492	0.6
175.04082	0.8
177.03999	1.2
178.99886	5.1
179.05626	1.3
187.04109	0.7
191.26302	0.6
199.09723	1.9
200.09979	1.1
204.02939	0.7
211.03865	0.6
218.59178	0.5
218.80193	0.5
226.02921	1.2
227.03461	1.6
229.04990	0.9
243.02969	5.4
245.04494	1.4
254.02237	1.1
255.02969	19.9
256.03311	1.3
262.08740	1.2
271.02435	43.2
272.02933	5.0
273.03857	1.0
273.20615	1.0
283.02344	1.2
290.08292	4.2
299.02130	0.8
300.02744	83.5
301.03464	46.6
302.04004	2.8
344.05038	0.7
433.07730	100.0
434.08041	12.7
435.26016	4.7
436.26425	2.3
495.31134	3.5
496.11362	2.7
496.32144	1.2
497.16742	2.5
497.22797	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2081
Annotation	Selexipag
Peak:m/z	Relative Intensity
57.03415	1.2
57.74360	0.4
58.00588	0.6
59.01378	10.4
61.98835	3.0
69.03434	1.3
69.41022	3.9
71.01384	10.7
72.99281	1.0
73.02948	6.0
75.00879	7.1
81.03455	0.4
83.01369	0.8
85.02956	4.5
87.00903	2.8
87.04516	3.4
89.02458	4.7
95.01411	0.4
95.05024	0.4
97.02926	1.5
99.00879	0.7
99.04528	0.4
101.02451	7.2
111.04446	0.4
113.02466	2.1
113.86149	0.4
119.03505	1.1
125.02414	0.4
129.01953	1.8
132.56630	0.4
133.05103	0.5
135.08189	2.5
137.09743	13.2
137.10808	0.6
138.10089	0.7
141.01918	0.7
151.06146	7.0
153.01921	0.4
155.10794	100.0
156.11115	5.6
159.02974	0.9
161.02464	0.4
163.20078	0.3
165.01929	0.4
168.03059	0.4
168.78413	0.4
169.12328	2.5
177.04044	9.7
178.99867	0.8
181.08707	2.7
199.09758	31.0
200.10179	1.4
206.79462	0.4
213.11353	2.0
241.10808	6.8
242.11261	0.8
301.13190	0.5
313.11780	0.5
317.12213	0.5
359.13379	2.7
377.14542	7.3
377.19351	0.5
378.15161	0.6
419.15829	0.5
435.26471	0.6
477.15778	2.0
495.21228	98.4
496.21588	15.7
496.31952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52751	0.6
59.01374	5.1
60.99306	12.3
61.98823	4.8
69.68803	1.4
69.69220	2.2
71.01378	3.6
72.99301	0.8
73.02938	1.5
73.94910	0.5
75.00876	1.6
76.93018	0.5
78.94926	0.5
85.02953	1.3
87.00874	2.0
88.00403	1.6
88.98810	100.0
89.02452	21.3
89.03017	1.1
89.99120	0.8
90.02773	0.7
90.03584	0.5
97.02955	0.5
97.06577	0.6
98.19852	0.6
101.02441	1.6
103.91012	0.5
109.77525	0.5
111.04514	0.6
113.02441	1.5
127.07626	0.5
129.01964	1.3
141.05634	0.6
145.02968	1.0
149.04620	0.8
154.38986	0.5
155.10803	3.9
161.02434	0.8
161.04570	0.5
163.03952	0.6
177.04080	0.8
187.66705	0.5
199.09773	1.4
218.11896	0.6
271.10745	0.9
325.11081	0.7
398.63794	0.6
459.14890	1.0
495.15924	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
58.00588	0.6
59.01379	10.1
59.09044	0.3
61.16366	0.3
61.98827	8.8
65.61026	0.3
69.03452	0.6
69.42693	2.2
71.01385	9.2
72.72012	0.3
72.99322	1.4
73.02950	3.7
75.00877	13.7
78.95912	0.3
81.03470	0.5
83.01379	0.8
84.58452	0.3
85.02956	4.3
87.00868	1.5
87.04515	2.8
88.98801	0.5
89.02456	5.8
91.01913	0.5
95.01389	0.6
97.02953	0.7
97.06567	0.3
99.00892	1.4
101.02457	5.5
105.01950	0.3
108.02166	0.4
109.02959	1.6
109.06573	0.5
113.02473	2.8
115.00427	0.3
119.03525	1.2
125.02425	0.8
126.23244	0.3
126.24178	0.3
129.01971	0.6
131.03537	0.3
133.02965	0.5
135.00885	0.5
135.04567	0.6
135.08214	1.4
135.72444	0.3
137.02397	0.7
137.09737	9.7
138.10046	0.5
141.01978	0.4
151.06139	8.0
151.11331	0.4
152.01170	0.5
153.01929	1.3
155.10794	71.0
156.11143	3.5
161.02466	1.3
161.04543	0.6
163.11220	0.4
165.12900	0.9
167.10771	0.5
169.12337	1.7
177.04057	2.0
178.99895	1.0
179.05627	0.6
179.10817	0.6
181.08719	2.2
185.11902	0.3
191.10750	0.4
197.00996	0.3
199.09766	24.1
200.10132	1.5
209.11871	1.1
213.11357	1.2
227.12851	1.7
239.13382	0.3
241.10818	6.0
242.11166	0.3
245.13951	1.3
249.06224	0.5
255.12335	0.4
272.09238	1.2
283.11838	0.7
301.12790	0.5
313.11374	0.5
315.07245	2.6
333.11981	0.4
333.19092	0.7
347.17151	0.8
359.13431	0.7
363.16461	0.4
377.14490	1.2
477.15842	0.4
492.82602	0.3
495.20840	100.0
495.31146	12.9
496.09821	0.5
496.21240	13.2
496.31534	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	495.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66724	0.5
57.03437	1.0
59.01378	7.7
60.99302	12.3
61.98827	38.6
69.03456	0.8
71.01380	5.6
71.58808	0.5
72.99303	1.7
73.02939	1.6
75.00877	2.7
78.95897	1.6
83.01407	1.0
85.02963	2.1
87.00880	3.0
88.00412	2.2
88.98808	100.0
89.02446	28.7
89.03011	1.1
89.99143	0.9
90.01967	1.4
93.03453	1.0
95.01382	1.7
95.05030	0.5
95.11611	0.5
96.64005	0.5
96.96023	0.8
96.96963	2.4
97.02979	0.7
99.00890	0.7
101.02443	3.5
103.51353	0.5
107.01414	1.7
108.02171	1.7
109.02933	1.4
113.02468	2.1
118.80959	0.5
119.03522	1.4
119.05009	1.9
123.00890	1.2
123.04539	1.0
124.01694	1.0
125.02464	4.6
129.01955	1.0
131.07158	0.8
132.22098	0.7
137.02429	3.0
138.05614	0.7
139.04195	0.6
141.05489	0.8
145.02997	1.6
146.08327	0.9
151.00385	8.8
151.04065	1.3
153.01941	2.2
155.10800	3.4
161.02457	0.8
161.04504	0.6
163.03981	1.0
165.01942	0.7
168.00665	0.9
169.01398	6.1
177.04092	0.9
178.99879	2.9
179.05603	0.6
181.07272	0.8
181.92621	0.6
195.03250	0.6
197.00916	1.0
199.09818	1.6
211.02527	0.6
215.09138	0.9
218.10197	0.7
229.05031	1.7
243.06644	0.6
271.06363	0.6
271.10834	2.6
273.38892	0.6
331.06631	0.6
347.13037	0.8
369.07422	0.6
403.12222	0.7
435.22092	1.7
459.15176	2.2
495.11218	9.2
495.17880	0.6
496.12521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.8
59.01374	6.4
60.01652	0.5
61.98825	45.1
63.99246	0.7
65.94225	0.4
68.99786	1.0
69.03458	8.2
69.46786	4.2
71.01381	26.1
71.05013	2.3
72.01736	1.1
73.02946	7.8
75.00878	1.3
77.74837	0.4
78.91871	0.4
81.03455	1.3
83.01383	3.1
83.05035	1.4
85.02949	14.2
87.00886	1.2
89.02451	1.7
93.03471	2.7
95.01405	3.6
96.86213	0.4
96.96017	1.0
96.96949	0.6
97.02958	1.9
97.06563	0.5
99.00877	2.6
99.04527	4.9
101.02451	13.0
102.02804	0.6
108.02179	12.5
109.02969	15.9
109.03700	1.1
110.03281	0.7
111.08195	0.9
113.02449	14.1
113.06111	1.8
117.03504	0.7
119.05032	0.9
121.02970	2.5
122.03065	0.8
122.03748	51.4
123.04540	74.1
124.04871	2.8
125.02467	2.7
127.04030	0.7
127.48200	0.4
129.01920	0.6
135.04564	3.5
137.02455	10.8
138.02808	0.9
139.11299	29.9
139.32928	0.4
140.11649	1.5
141.09229	0.4
143.03487	2.8
145.02971	4.7
148.12772	0.5
149.02489	0.7
149.06116	1.0
151.04054	0.5
152.01208	1.0
153.01952	1.0
159.03015	3.1
161.02449	1.1
161.04564	24.2
162.04935	0.8
163.04034	1.4
163.06224	0.5
165.05536	1.0
165.09265	1.3
172.05310	0.5
177.01840	1.0
177.04211	0.6
183.10275	100.0
184.10625	5.6
187.07646	1.7
189.01945	1.2
191.05611	1.2
216.00639	0.6
217.01347	1.2
225.11282	0.8
227.03531	0.8
228.03896	0.8
231.06586	0.5
255.03021	1.0
256.03333	1.4
257.08176	1.7
267.08820	1.4
284.03259	1.0
285.03802	2.2
285.09747	3.4
286.04462	1.5
289.07315	0.7
327.14725	0.7
341.06607	3.5
342.06570	0.5
367.50803	0.6
419.11777	0.4
419.17664	0.6
432.10141	4.4
435.11050	0.5
451.16125	1.8
495.18738	31.7
496.19009	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	495.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.2
58.00594	1.2
59.01375	34.3
61.98829	100.0
62.85159	1.3
69.03444	2.2
69.35783	12.0
71.01015	2.0
71.01384	31.5
71.54797	1.1
72.99289	3.0
73.02956	13.1
75.00844	3.7
78.29444	1.2
81.03434	1.9
83.01389	5.8
83.05006	2.2
85.02954	18.8
86.04934	1.3
86.65102	1.3
87.00877	2.9
87.04034	1.4
87.04522	22.4
88.98807	5.9
89.02450	9.8
90.38299	1.1
93.03424	2.6
95.01336	3.0
95.05017	1.8
97.02917	4.9
97.06580	1.4
98.20626	2.1
99.00848	3.7
99.04482	2.0
101.02453	21.4
103.03993	2.0
107.05041	81.8
108.02188	8.0
108.05315	4.7
109.02993	6.7
111.04522	2.3
111.08102	2.3
113.02448	13.5
115.04034	1.5
117.03432	5.3
119.03486	3.2
119.05006	4.9
121.02916	2.6
122.03723	1.6
123.00884	1.6
123.04475	3.4
125.01651	1.3
125.02455	14.6
125.06071	2.2
127.07622	2.6
131.03522	1.6
133.02888	3.7
135.08130	3.8
137.02391	4.3
137.09727	18.9
139.07588	4.6
139.11282	1.8
145.01941	2.0
145.02974	28.4
146.03313	1.8
147.04497	1.4
149.02336	1.7
151.04022	30.2
151.11246	2.5
152.01089	4.2
153.01871	1.8
155.10791	92.7
156.11102	4.4
159.02980	1.3
160.01549	4.0
161.02470	8.6
161.04593	9.2
162.02744	1.5
163.03935	4.1
163.07599	1.5
163.11186	1.6
164.03500	2.2
165.01866	1.9
165.09158	1.7
167.10728	2.3
169.01355	1.7
169.12259	5.4
169.13744	1.1
173.04523	4.6
174.16930	1.3
175.03983	6.2
177.01897	2.6
177.03952	2.0
177.05431	1.5
177.09149	2.2
179.10785	8.8
181.08736	8.9
189.01831	3.4
191.05678	2.2
191.10797	6.3
193.05054	1.3
193.12204	2.5
195.10243	3.3
196.31143	1.4
199.09763	51.9
199.13480	1.7
200.09990	2.8
202.12326	1.5
203.03357	1.4
205.04860	1.7
211.13448	1.3
213.11188	2.4
217.01387	1.4
223.09714	2.9
229.14275	3.0
241.10825	14.2
253.10536	3.4
255.12206	4.9
267.07285	2.4
269.03885	1.2
271.05820	1.9
281.09195	1.9
283.11871	22.3
284.12186	2.2
289.07043	2.7
295.10803	3.4
296.11508	3.9
300.02469	2.3
303.17972	4.8
327.21646	2.3
328.10458	2.2
341.06406	4.5
343.14087	7.0
349.14844	2.7
420.19147	7.1
433.20282	3.5
435.22208	5.3
451.13889	2.0
451.19751	36.5
452.19870	4.8
464.13232	1.1
464.18201	10.4
474.10403	1.2
477.17337	1.6
495.18393	98.3
495.29691	9.1
496.18643	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	495.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68800	1.2
57.03448	5.7
58.00574	2.0
59.01379	29.1
61.98828	85.4
69.03428	2.4
69.43072	1.8
69.43482	9.2
71.01385	25.5
71.15300	1.0
72.99288	2.5
73.02951	11.3
74.10502	1.1
75.00864	2.7
78.95905	1.6
81.03440	1.7
83.01343	3.9
83.05011	2.1
85.02957	16.3
87.00846	3.2
87.04519	19.6
88.98817	6.1
89.02442	7.7
93.03448	1.4
95.01364	3.2
95.05049	1.6
97.02930	4.8
97.06583	1.9
99.00848	4.1
99.04505	2.0
101.01879	1.7
101.02454	19.8
103.04028	2.3
106.04210	1.5
107.05035	78.4
108.02209	6.6
108.05369	1.4
109.02963	6.8
111.04487	2.1
113.02463	9.2
117.03492	7.9
118.64155	1.0
119.03458	1.7
119.05008	3.6
121.02902	2.6
122.03703	2.4
123.04477	5.1
123.08126	1.6
125.02460	14.0
125.06057	1.9
127.07661	1.5
131.03468	1.4
132.02202	1.2
133.02928	4.1
134.03746	2.0
135.04509	1.9
135.08116	3.5
137.02405	3.9
137.06099	1.5
137.09743	21.8
139.03958	1.2
139.07594	4.2
139.11249	1.1
143.03474	1.3
145.02971	22.1
146.03229	2.3
147.04480	1.5
149.02354	1.7
149.06041	1.6
151.00436	2.0
151.04028	23.9
151.11255	2.7
152.01080	5.2
152.04289	1.4
153.01865	2.5
155.10793	100.0
156.11121	6.9
159.02934	2.6
160.01598	4.7
161.02502	7.8
161.04567	9.3
163.04063	6.3
163.07541	1.8
163.11269	1.7
165.09212	2.1
167.07057	1.5
167.10721	2.6
169.12283	3.2
172.03929	1.4
173.04521	3.5
175.03929	5.0
177.01897	1.7
177.09082	2.2
179.03534	1.7
179.05435	1.5
179.10754	8.9
180.11101	1.4
181.08725	8.8
182.09105	1.3
185.75179	1.4
191.05478	1.7
191.10690	4.9
195.10149	4.6
197.11719	1.4
198.53165	1.1
199.09767	51.7
199.13412	2.1
200.09996	3.0
202.12280	2.4
205.05054	2.3
213.11263	3.1
214.60535	1.3
219.02895	1.6
223.09631	1.4
225.11331	2.6
229.14438	1.7
237.11253	1.9
241.10803	13.2
253.10544	2.9
255.12233	5.1
255.14612	1.2
261.78976	1.1
267.07080	2.0
271.05917	1.1
283.11884	23.5
284.12024	1.6
287.05246	1.6
289.07092	1.4
295.10703	2.4
296.11526	3.6
303.17902	3.9
327.21445	1.9
328.10355	1.7
336.49963	1.1
341.06570	3.5
343.13983	6.7
349.14633	2.0
420.19357	9.3
433.20370	4.0
435.21976	4.5
444.28088	1.1
451.19690	34.5
452.19885	4.7
464.18375	12.8
477.17276	2.5
495.18393	94.2
495.29691	6.9
496.18634	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	495.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.7
58.00589	0.5
59.01378	8.8
61.98827	3.2
69.03464	2.8
69.42972	4.6
71.01384	10.1
71.71600	0.5
72.99302	2.0
73.02945	4.5
75.00877	14.3
83.01386	0.8
85.02950	5.8
87.00883	5.0
87.04519	3.8
87.18665	0.5
89.02464	4.5
91.01912	1.0
95.01379	1.0
97.02967	3.0
99.00905	2.6
101.02470	4.0
110.13364	0.5
113.02458	1.9
119.03522	0.9
123.04537	0.7
129.01959	5.6
131.03583	0.9
135.00867	0.9
135.08154	1.9
137.09743	13.3
137.10793	0.8
138.10083	0.8
139.11314	0.8
141.01956	1.6
151.06158	3.3
151.11243	0.5
153.02000	0.9
155.10796	100.0
156.11118	6.1
157.58220	0.5
159.02910	0.9
161.04602	0.6
168.03033	0.6
169.12325	2.7
177.04062	21.1
178.04408	1.0
178.99843	1.5
179.14574	0.5
181.08655	2.6
188.15997	0.4
199.09767	37.3
200.10138	2.5
206.94403	0.5
213.11343	2.2
241.10818	9.8
242.10997	0.8
301.12741	0.7
317.12445	1.2
359.13434	5.0
360.13821	0.7
377.14532	14.0
378.14935	1.0
418.58835	0.5
419.15399	0.8
477.16055	4.2
478.16269	0.7
495.20895	46.0
495.31012	4.5
496.17337	4.4
496.21545	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	495.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.7
57.03431	4.0
59.01376	28.8
61.98827	9.7
71.01386	63.3
71.60727	2.7
72.99292	2.8
73.02953	24.8
75.00888	2.9
75.53461	2.1
78.95911	4.1
83.01392	12.3
85.02956	33.2
87.00891	4.0
88.98814	2.8
89.02449	13.3
95.01390	3.5
96.96967	3.9
99.00871	11.7
101.02452	49.6
102.22600	2.5
106.04214	2.7
107.05037	30.5
107.08978	2.1
108.02181	3.6
109.02948	2.7
113.02464	25.1
124.22965	2.1
125.02472	3.2
142.13631	2.1
143.03503	2.9
151.04027	36.8
152.01118	5.6
152.99603	2.2
153.01895	4.6
154.06161	3.1
157.84947	2.2
159.03008	6.5
161.04581	36.9
165.04074	4.3
168.00558	2.2
173.26424	2.0
181.07188	47.5
269.10379	14.7
270.10345	2.8
302.52213	2.5
313.09265	100.0
314.09598	12.3
315.07166	8.3
363.40741	2.1
410.88522	2.1
495.16788	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	495.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22908	0.5
56.72187	0.5
57.03448	2.7
59.01374	8.4
61.98822	4.6
67.19480	0.5
69.03455	2.6
69.37810	3.7
69.38217	1.2
71.01382	11.0
72.99312	1.3
73.02948	4.4
75.00874	17.0
83.01396	1.0
84.02174	0.7
85.02948	7.7
87.00883	5.8
87.04522	3.9
89.02454	3.5
91.01894	1.5
95.01358	0.7
97.02951	3.8
99.00893	2.3
99.12711	0.6
101.02447	4.2
113.02458	1.6
119.03461	0.8
119.22714	0.6
123.04533	1.0
125.02447	0.8
129.01962	6.3
135.08163	1.9
137.09735	12.2
139.11267	0.6
141.01961	2.1
145.02997	0.7
151.06104	3.5
151.11313	0.7
152.47282	0.6
155.10791	100.0
156.11133	5.0
159.02966	1.5
161.02359	0.9
168.03050	0.6
169.12344	2.1
177.04050	23.9
178.99864	0.8
181.08717	3.2
195.99902	0.6
199.09756	38.1
200.10117	1.6
200.37875	0.6
213.11337	2.5
241.10811	9.3
257.73737	0.6
297.70126	0.6
301.12982	1.0
317.12549	1.3
359.13470	7.1
360.13806	1.0
363.16589	0.9
377.14520	19.0
378.14630	2.7
419.15732	1.6
433.11658	0.9
477.15933	4.8
495.17221	37.5
495.21082	40.8
495.31091	5.9
496.17621	7.3
496.21265	5.3
496.31998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76117	0.2
57.03459	0.2
57.53089	0.2
59.01379	3.7
61.98828	100.0
62.19800	0.2
69.40643	2.0
71.01381	2.0
73.02959	0.9
75.00890	0.4
83.01382	0.4
85.02972	0.8
89.02453	0.9
95.01435	0.2
99.00909	0.3
101.02446	1.4
103.03999	1.2
107.01448	0.3
107.05025	0.4
109.02955	0.5
113.02457	0.7
114.33868	0.2
117.03463	0.4
123.04527	0.6
125.02470	1.0
133.02954	0.4
133.79158	0.2
137.02469	0.3
145.02968	1.6
146.03325	0.6
151.00343	0.4
151.04024	0.3
153.05479	0.3
155.10854	0.4
161.02454	0.9
161.04599	0.6
162.02827	0.4
163.04027	0.4
163.95119	0.2
177.01936	0.5
178.69820	0.2
184.51338	0.2
189.01967	0.5
190.02747	0.3
190.80853	0.2
199.09610	0.2
200.62222	0.2
217.01462	0.4
219.02997	0.2
229.08711	0.4
229.14571	0.3
284.03070	0.3
285.04010	0.6
289.07211	0.3
299.97745	0.3
303.18341	0.5
341.06567	1.6
431.09888	1.2
435.22348	0.4
494.21155	2.0
494.30704	0.3
495.12698	0.4
495.18982	1.3
495.23602	0.5
495.29071	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
59.01389	0.6
61.98829	100.0
62.98526	0.2
69.03458	0.5
69.33524	1.6
71.01384	1.4
71.05038	0.2
72.14214	0.1
73.02949	0.5
74.24391	0.1
83.01388	0.2
85.02972	0.9
87.00877	0.2
89.02446	0.3
93.03450	0.2
95.01418	0.2
99.00914	0.3
99.04536	0.4
101.02449	1.2
107.01450	0.2
108.02177	0.8
109.02956	0.7
113.02480	1.2
122.03761	3.4
123.04536	5.1
125.02472	0.3
137.02457	0.9
139.11302	2.2
141.79233	0.2
145.03146	0.2
156.94930	0.2
161.04562	1.5
183.10284	6.6
196.84280	0.2
227.03482	4.9
227.05669	0.3
228.03931	0.4
229.05083	0.8
255.02975	7.2
256.03360	1.2
257.04648	0.6
284.03241	9.4
285.04001	8.8
285.09186	0.2
286.04330	0.8
341.06494	0.1
376.22012	0.2
431.09818	17.6
432.10226	2.5
438.46039	0.1
454.58865	0.2
495.18655	2.4
503.01596	0.2
516.02899	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	494.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
58.10704	0.1
59.01382	1.6
61.98829	100.0
69.03460	0.2
69.54520	1.1
71.01395	0.9
72.99313	0.3
73.02940	0.3
75.00887	0.4
77.85341	0.1
78.95927	0.2
83.01429	0.2
85.02967	0.7
87.00924	0.2
88.98820	0.6
89.02477	0.6
91.01918	0.2
92.74983	0.1
93.03486	0.3
95.01419	0.3
97.02961	0.2
99.00908	0.2
101.02467	0.7
108.02185	3.5
108.08203	0.2
109.02966	11.4
113.02477	0.4
117.03481	0.3
118.00988	0.1
119.05029	0.4
121.02932	0.3
123.00891	0.3
123.04572	0.6
125.02479	0.5
132.14719	0.2
133.02968	0.3
134.03668	0.2
137.02477	0.6
145.02971	1.3
151.04024	0.3
152.01158	4.1
152.07231	0.5
153.01952	10.4
153.09311	0.5
155.08298	0.3
155.10776	0.3
160.01740	0.3
161.02481	0.4
161.04640	0.2
163.04022	0.4
167.03598	0.2
168.00732	0.3
168.04268	0.2
173.04622	0.2
175.04019	0.3
193.05156	0.2
199.09857	0.3
213.48012	0.2
230.80624	0.2
271.02142	0.1
285.04074	0.3
296.13177	0.1
315.07227	0.7
345.21875	0.1
349.15274	0.2
379.11832	0.2
431.10013	0.3
434.24646	0.2
450.14297	0.4
451.15884	0.9
465.80447	0.1
466.83224	0.2
494.12735	0.7
494.19601	0.3
495.14929	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	495.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.8
58.79609	0.5
59.01126	0.7
59.01381	7.1
61.98830	44.4
69.03413	0.5
71.01389	4.5
71.66158	0.7
73.02925	1.3
75.00882	1.9
76.84798	0.6
83.01411	0.9
85.02977	2.7
87.00870	0.7
89.02448	2.1
93.03452	1.8
93.68613	0.5
95.01409	1.1
95.05037	1.7
99.00884	0.5
101.02475	2.8
103.05556	0.7
105.03478	0.7
107.05045	0.6
108.02193	1.9
109.02969	16.0
110.03345	0.5
113.02452	1.3
117.03495	3.6
118.81622	0.5
119.05051	3.3
121.02962	2.1
122.03762	1.6
123.00908	8.4
123.04540	19.3
124.01701	0.9
124.04856	0.5
125.02488	3.1
127.11501	0.5
128.65486	0.4
129.01971	0.5
131.03519	1.0
132.02196	0.8
133.02975	5.8
134.03825	1.1
135.00934	0.5
135.04547	2.3
137.02432	3.1
138.03252	11.0
139.03899	0.5
145.02971	7.9
146.03395	0.6
147.04559	4.9
149.02473	2.3
149.06108	0.5
150.03236	1.4
151.00375	0.9
151.04033	8.4
153.01968	1.1
153.05579	6.6
153.09195	0.7
155.10817	1.1
159.04547	1.4
160.01678	5.3
161.02475	12.0
161.04521	1.1
161.06049	0.5
162.02817	5.7
163.02945	1.5
163.04039	1.6
165.01932	0.9
167.03543	0.9
167.23634	0.5
168.00667	1.1
173.02505	0.6
173.04486	0.9
175.00385	1.1
175.04018	8.2
176.01166	1.7
177.01956	26.4
178.02292	1.0
179.03435	1.4
182.67740	0.5
187.04054	2.7
188.04796	0.8
189.01952	56.7
190.02713	16.6
191.03526	13.3
191.05345	1.1
192.03778	0.6
193.05035	1.5
201.01979	0.6
201.05626	0.7
203.03511	6.1
203.07135	0.9
204.03758	0.6
205.05113	4.1
211.07669	1.2
212.07866	0.7
216.00642	10.0
217.01418	43.9
217.27298	0.5
218.02017	3.7
219.03000	15.6
220.03279	1.5
227.07239	0.8
229.08585	0.7
231.02972	13.6
232.03546	1.5
233.04530	1.9
245.08086	1.1
255.06750	0.7
259.06296	0.5
269.04538	0.8
271.06149	4.8
272.06396	0.5
273.20660	1.1
281.04492	2.2
285.03995	0.9
287.05276	0.6
289.07227	5.2
290.07544	0.8
297.04370	0.7
297.07739	1.5
301.03665	0.7
301.06906	0.5
303.18130	0.7
319.13895	0.5
323.05627	2.1
328.06046	0.8
329.06750	0.6
331.08087	1.5
341.06671	100.0
342.06998	10.5
343.08359	1.4
355.08212	10.2
356.08670	0.9
371.07709	8.2
373.09332	0.6
385.09210	1.0
432.13672	1.7
435.22504	0.8
494.21072	1.4
495.12970	45.2
495.20511	10.8
496.13071	6.2
496.19556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03458	1.7
58.00585	0.9
59.01377	21.8
61.98830	15.4
66.99778	0.3
69.03449	0.5
69.52316	0.8
69.52710	2.4
71.01383	21.1
72.99300	1.2
73.02940	4.3
75.00870	2.6
79.33848	0.3
83.01400	1.8
83.05010	0.5
85.02957	6.5
85.27363	0.4
87.00901	1.7
88.98799	0.7
89.02450	13.5
89.03005	0.7
93.03498	0.4
95.01398	1.7
97.02933	0.6
99.00878	2.1
101.02456	15.0
102.02751	0.4
103.77548	0.4
109.02962	0.8
111.00835	0.4
111.08169	2.1
113.01701	0.7
113.02465	7.8
117.03480	5.7
119.03534	4.5
119.05021	2.0
121.02975	4.7
121.05081	11.9
124.38763	0.3
125.02454	1.2
131.03542	0.8
135.04536	1.0
137.02461	0.6
143.03502	0.9
145.02972	22.5
146.03285	1.3
151.04007	0.4
155.10745	0.5
159.03014	0.9
160.01697	0.3
161.02477	0.7
161.04579	3.7
163.04034	2.8
163.06122	0.5
165.05551	0.5
165.12868	14.0
166.13217	1.0
168.00653	0.4
179.05621	1.3
181.12241	0.4
183.13927	58.9
184.14246	3.5
191.10744	0.4
193.05028	0.6
197.15471	5.9
207.13812	0.8
209.11835	1.8
225.14825	0.6
227.12886	5.8
265.09354	1.5
283.10330	15.9
284.10742	0.8
362.50903	0.4
364.96198	0.4
369.32916	0.4
375.20267	0.4
389.18533	0.5
433.24564	1.3
435.12924	0.4
457.15115	0.5
475.22202	0.6
493.22870	100.0
494.23206	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	493.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.2
57.03439	4.1
58.00589	2.9
59.01376	100.0
60.01709	1.4
61.98829	68.4
69.03445	1.7
71.01383	54.4
71.05048	1.1
71.64258	1.0
72.99309	5.2
73.02581	1.4
73.02950	13.2
75.00874	27.0
81.03466	0.9
83.01383	4.3
85.02960	18.8
86.03276	1.1
87.00885	5.7
87.04512	8.1
88.98844	0.9
89.02448	47.5
90.98559	1.3
93.03469	1.9
95.01388	4.2
95.74289	0.9
97.02932	2.1
99.00873	3.8
99.04512	2.6
99.56715	0.9
101.02448	39.8
103.89185	0.9
107.58320	0.9
108.02165	1.2
109.02954	3.4
113.02457	24.0
114.02710	1.0
119.03519	22.4
119.04927	1.4
121.02971	2.2
123.00900	1.0
124.01642	1.1
125.02470	5.0
129.01909	1.1
131.03516	3.1
133.02974	1.7
135.08131	2.8
137.02438	1.8
137.09731	18.0
139.11304	9.5
143.03499	6.1
145.02954	3.6
149.04594	5.6
149.99617	1.9
152.01132	1.6
153.01932	4.4
155.10785	78.2
156.11122	5.4
159.02986	2.3
161.02429	3.4
161.04555	15.4
163.04054	1.0
168.00642	4.0
169.12358	2.9
175.03946	2.0
177.01991	1.1
177.03995	2.6
179.05600	17.2
179.10844	1.1
181.08723	4.5
181.12369	4.1
183.10275	10.6
199.09763	38.7
200.10120	1.4
213.11278	3.3
225.11250	1.8
241.08617	1.5
241.10815	12.5
243.11809	0.9
271.19070	7.0
301.12814	2.6
315.07181	1.4
331.06738	1.4
361.14941	1.3
361.18835	1.1
401.14194	1.4
417.17661	10.3
418.18027	1.5
433.24411	88.8
434.24701	13.7
475.21582	1.3
493.10590	3.4
493.18448	97.2
494.11392	1.4
494.18878	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	493.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21447	0.6
55.01872	1.6
55.50810	0.5
55.99239	0.6
57.03448	5.0
58.00595	3.9
59.01380	100.0
60.01725	1.5
61.98830	9.0
68.52252	0.5
69.03484	1.3
71.01385	68.2
71.59080	1.0
72.01723	1.3
72.99306	6.0
73.02954	12.1
75.00876	6.6
81.03487	0.6
83.01384	3.7
83.05030	0.8
85.02961	17.9
87.00887	12.5
88.98819	1.4
89.02454	64.6
90.02795	1.1
93.03465	5.9
95.01415	5.0
97.00965	0.6
97.06614	1.9
99.00902	4.6
99.04543	2.6
101.02459	40.4
102.02809	0.8
105.01931	2.9
108.02260	0.7
108.94975	0.6
109.02993	1.1
109.06605	1.1
111.00889	1.7
111.04500	0.7
111.08212	1.2
113.02467	26.3
113.06100	0.9
114.02769	0.8
115.00388	0.8
115.04118	0.7
119.03522	32.0
125.02477	4.4
127.07672	2.9
128.03554	2.0
129.01999	2.1
131.03522	4.2
133.02998	1.8
133.10316	0.8
135.03050	1.0
135.04561	1.6
136.01726	1.1
137.02470	5.7
137.06128	1.8
137.09785	0.7
139.00426	2.2
139.11328	0.9
140.00833	0.6
141.01933	0.6
141.05664	0.8
143.03560	4.6
146.04678	1.0
147.03067	0.9
149.00673	0.8
149.04613	2.2
151.00475	0.9
151.04057	2.7
151.05130	0.7
152.03587	2.2
153.09236	6.8
155.07214	2.7
155.10817	5.2
159.03012	1.3
161.02538	3.5
161.04578	10.0
163.04051	0.9
163.11382	0.7
166.04616	0.7
168.00710	1.3
175.25597	0.7
177.04077	5.1
177.05458	0.8
179.03490	1.3
179.05637	17.7
181.12384	1.5
183.10294	4.0
191.05766	0.9
195.05101	0.7
197.08246	1.4
197.09868	2.0
197.11920	2.5
199.09784	3.0
199.13486	1.8
209.09843	1.7
215.09366	1.1
221.06619	0.9
225.09332	0.9
225.11378	5.2
240.14803	0.6
241.08699	1.3
241.11046	0.6
243.12466	2.1
249.06244	1.1
269.08148	0.6
271.09818	0.7
277.09387	0.9
302.07947	0.9
313.06784	0.7
315.11047	0.7
323.07877	0.7
329.84155	0.6
331.08478	3.1
331.17834	1.8
343.08261	0.8
345.11584	0.9
345.15817	1.7
349.18994	1.6
375.13065	1.8
377.06662	1.4
377.14639	2.8
383.10031	1.3
433.24521	8.6
434.25061	1.0
475.14105	2.4
493.19382	26.5
493.23373	26.3
494.23355	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	493.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25144	0.4
50.97420	0.4
51.28772	0.4
53.95138	0.5
54.25256	0.5
57.03438	0.9
58.00594	1.2
59.01376	15.8
61.98829	5.1
69.57791	3.0
69.58196	1.1
71.01377	10.2
72.99309	0.8
73.02950	7.3
75.00886	1.5
76.22070	0.5
81.03477	0.7
83.01382	0.9
85.02963	2.9
87.00897	1.7
87.04519	5.8
89.02451	13.9
97.02940	0.5
101.02451	7.0
113.02463	3.1
119.03528	2.6
125.02454	0.8
131.03526	2.1
135.08167	1.8
137.02556	0.5
137.09734	15.8
138.10101	0.7
139.11308	1.7
140.52048	0.4
143.03543	0.9
147.96988	0.5
149.04559	1.9
149.99608	0.7
151.11252	0.7
152.37007	0.5
155.10789	90.8
156.11119	4.7
161.02449	0.9
161.04536	2.4
168.00685	0.9
169.12344	4.2
179.05669	2.5
181.08719	5.5
183.10258	1.2
185.11861	0.8
197.09642	0.7
199.09760	52.8
200.10098	2.5
213.11330	4.3
241.10805	17.6
242.11192	2.0
271.11899	1.4
275.79214	0.6
301.13062	5.6
331.06693	0.8
361.15015	4.1
362.15048	0.6
403.16205	6.4
404.16489	0.9
433.24500	5.5
434.25058	0.5
493.19171	100.0
494.19534	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	493.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51863	0.2
57.03440	0.5
59.01379	8.1
61.98831	10.8
65.00314	0.2
71.01385	5.4
71.13651	0.2
71.66151	0.4
72.99310	0.4
73.02946	0.9
75.00879	3.3
80.01279	0.2
83.01389	0.8
85.02955	1.8
87.00888	0.4
88.98827	0.3
89.02459	3.6
89.03984	0.3
91.01915	0.3
93.03477	0.4
95.01408	0.2
97.78779	0.2
99.00893	0.4
101.02454	3.3
105.03496	0.5
107.01440	0.3
107.05042	0.7
109.02954	0.4
109.98010	0.2
113.02468	1.7
117.03488	1.8
119.03513	1.0
119.05033	2.0
121.02998	0.2
123.04540	0.4
125.02451	0.6
131.03539	1.2
132.02174	1.6
133.02972	31.9
134.03419	1.2
135.00876	0.2
135.04539	8.3
136.04840	0.4
137.02441	1.0
145.02972	2.0
147.04535	0.9
149.04556	1.2
150.03192	0.2
151.00423	1.2
151.04053	0.3
153.09232	0.8
155.10825	0.4
159.02945	0.2
160.01619	0.3
161.02461	100.0
162.02794	4.5
163.03992	2.6
164.04337	0.2
165.12721	0.3
175.00371	0.3
177.05600	0.4
178.99857	0.6
179.03514	4.3
179.05606	0.6
180.03923	0.2
183.13863	0.4
191.05649	1.0
211.07552	0.2
219.02972	0.2
221.04541	0.5
230.29088	0.2
271.19073	0.4
281.06625	0.4
301.16422	0.4
329.78876	0.2
424.94003	0.3
431.13730	0.3
433.24551	0.9
493.20782	75.0
494.21133	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	492.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.94707	0.8
70.95061	1.5
96.96045	0.6
186.01225	0.6
218.03687	0.5
412.22250	0.6
493.35474	0.8
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
55.01870	0.5
56.03501	0.4
57.03445	1.5
58.00586	0.6
59.01379	19.2
61.98832	8.9
69.03470	2.4
69.41943	4.4
71.01386	11.1
72.99317	1.8
73.02950	3.6
75.00883	4.8
75.41502	0.5
79.19122	0.5
81.03456	0.6
83.01395	1.9
83.05047	1.5
85.02961	4.5
87.00895	2.1
87.04527	0.8
88.98827	0.6
89.02449	8.5
90.98589	0.7
91.01915	0.9
93.03471	1.1
95.01400	2.1
97.02946	3.2
97.06609	1.6
97.62634	0.5
99.00883	2.4
99.04545	0.9
101.02446	6.7
105.01964	0.7
107.01437	0.9
108.02192	1.0
109.02990	0.8
111.00870	0.6
113.02463	5.0
117.03504	1.3
119.03529	3.3
121.02940	0.9
123.00891	5.1
123.04551	0.7
124.01685	16.4
124.03949	0.6
125.02464	44.9
125.06036	0.7
126.02790	1.3
129.01976	1.2
131.03542	0.7
132.02155	0.5
133.02968	7.3
134.03731	0.8
135.00856	0.5
135.04512	5.0
135.08153	0.5
136.01526	0.6
137.02467	3.5
137.09735	1.1
139.04051	0.7
141.05579	0.8
143.03569	0.7
145.02982	0.6
149.04546	0.8
149.99603	30.8
151.00420	2.3
151.04015	0.8
152.01137	0.9
153.01950	0.7
153.09236	4.6
155.10800	13.0
156.11130	0.9
159.02951	0.7
159.10365	0.5
160.01683	0.5
161.01106	1.1
161.02460	21.3
161.04445	3.6
162.02811	1.1
163.06155	0.6
163.11252	0.7
165.01901	0.8
165.05589	0.6
167.03499	1.5
168.00655	64.9
169.01393	6.7
170.01926	0.5
171.10281	1.0
175.03975	0.9
177.01942	0.9
177.04050	2.8
177.05511	1.0
178.99879	1.3
179.03462	2.9
179.05603	1.9
181.12408	1.7
183.01080	0.5
183.10239	0.7
187.00386	1.6
193.05130	0.8
195.05180	0.7
199.09769	7.5
207.10303	0.6
215.09264	0.6
217.75388	0.6
225.11296	3.3
241.10851	1.2
243.12311	2.5
249.06172	1.3
271.19031	1.5
301.10544	0.6
313.05606	8.9
314.05911	0.5
315.07346	0.7
317.15906	1.0
321.15384	0.7
323.07660	1.1
331.06696	63.4
332.06979	4.7
345.15738	0.7
361.15045	1.2
375.12921	2.2
415.16660	0.5
433.24435	12.3
434.24911	1.1
436.88196	0.6
449.10593	0.7
475.08554	1.1
493.09818	100.0
493.18976	15.5
493.30270	2.6
494.10117	14.4
494.19342	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	493.1194
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
50.64512	0.3
54.41316	0.3
57.03439	0.3
59.01382	1.5
61.98836	1.1
69.03459	2.7
71.01373	1.7
71.64452	0.7
72.97542	3.1
73.02949	0.6
75.00883	0.6
78.95919	0.7
79.27392	0.3
81.03468	1.0
83.01396	1.4
85.02944	0.7
87.00883	2.7
88.00408	0.5
88.98814	1.0
89.02447	1.2
93.03490	0.4
95.01405	1.2
96.96033	0.8
96.96970	1.2
97.02958	2.5
101.02455	1.3
107.01405	1.1
108.02198	0.6
109.02966	0.6
113.02448	1.0
116.92860	0.9
121.02937	0.5
123.00898	6.0
123.04549	0.7
124.01677	16.3
125.02460	51.4
126.02811	1.6
128.03505	0.4
133.02994	0.5
134.32140	0.3
134.97595	0.6
135.04599	0.3
137.02477	2.0
138.96133	0.3
139.04007	0.4
149.02504	0.4
149.99600	24.3
151.00389	3.9
151.04041	0.5
161.02457	0.5
165.01898	0.4
167.03525	2.8
168.00653	61.4
169.01398	6.4
170.01793	0.4
173.09355	0.3
177.04111	0.4
179.03569	0.5
181.01534	0.3
181.05153	0.3
191.05600	0.4
193.01414	0.7
209.04515	0.4
211.02448	0.6
212.41888	0.3
227.26228	0.3
271.33014	0.3
331.06699	0.7
475.10864	1.3
493.11926	100.0
494.12195	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	491.301
Annotation	Lemnabourside C
Peak:m/z	Relative Intensity
57.03428	1.1
59.01378	46.9
60.89481	0.8
61.98832	4.9
65.56548	0.7
73.02952	1.6
82.14388	0.8
84.98038	0.8
93.58047	0.7
98.19937	2.1
101.02454	1.1
135.70644	0.7
149.57452	0.7
151.55074	0.7
240.05518	0.9
247.13535	0.7
301.18033	1.5
327.19501	1.2
341.21222	1.2
362.20227	0.7
369.24243	5.6
385.27292	2.2
387.21542	1.0
388.15677	0.8
399.25439	8.9
400.25632	1.3
401.23077	1.1
413.26740	3.3
429.26321	3.4
431.27985	10.8
432.28137	1.3
459.27524	7.9
460.27902	1.9
490.35046	1.2
491.29935	100.0
491.35898	11.4
492.30466	20.5
492.36798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53355	0.3
52.77129	0.3
56.83041	0.3
59.01372	6.4
61.98826	100.0
71.01384	3.9
71.59189	0.4
73.02945	1.2
75.00899	0.4
83.01383	0.5
85.02965	1.2
87.00892	0.6
88.98824	0.8
89.02444	2.3
90.02801	0.3
93.03474	0.8
95.01383	0.5
99.00879	0.3
101.02457	3.1
102.02774	0.4
105.88110	0.3
108.02241	0.3
109.02969	0.5
110.02437	0.3
113.02457	1.2
114.02748	0.3
117.03485	1.6
119.03513	0.6
119.05065	1.3
120.05361	0.4
121.02975	1.2
125.02465	0.8
131.03575	0.4
133.02965	0.6
135.04512	0.4
136.05287	0.5
137.02492	0.9
143.03485	0.4
145.02963	7.0
146.03294	0.8
149.02470	0.3
149.06120	0.4
160.01704	0.7
161.02487	1.5
161.04576	0.7
161.06094	0.3
163.04037	1.7
170.76869	0.3
173.04565	1.2
174.04945	0.4
174.71754	0.3
175.04065	0.9
179.05603	0.8
191.05670	0.3
205.05206	0.3
221.06680	0.4
235.06157	0.4
236.06541	0.3
265.07217	0.6
307.08289	0.7
308.08585	0.5
318.17944	0.4
319.40961	0.3
433.22302	0.6
491.26788	0.3
492.23663	0.9
492.29907	0.4
493.19919	5.3
493.30942	0.4
507.22437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03439	1.2
58.00588	0.5
59.01379	16.7
59.01684	0.9
61.98825	18.4
62.05519	0.3
69.03477	0.6
69.36872	1.6
69.37296	2.1
71.01379	13.2
71.05023	0.4
72.99311	0.9
73.02952	5.0
75.00866	1.5
77.07874	0.4
81.03464	0.7
83.01390	1.2
85.02970	5.1
86.03714	0.7
87.00877	1.3
87.04509	1.0
89.02445	7.0
93.03478	1.0
95.01380	0.5
97.02943	0.8
99.00887	1.3
101.02444	8.3
108.02180	9.5
109.02959	46.9
110.03307	1.8
113.02457	3.2
119.03541	3.3
121.02960	1.4
121.05089	9.3
123.00901	1.9
123.04513	1.5
125.02476	0.8
127.89910	0.4
132.02164	1.0
133.02974	0.9
134.03752	5.5
135.04500	1.3
137.02483	0.9
137.09718	0.6
139.11292	1.3
141.14871	0.5
143.03476	0.6
145.02953	0.9
149.06131	0.9
151.00452	0.5
152.01167	13.8
153.01949	47.7
154.02267	2.0
155.10799	3.3
160.01674	7.4
161.02455	2.6
161.04541	1.5
163.04057	0.5
163.11327	2.2
167.03519	0.7
169.12421	0.4
175.04015	7.6
176.04457	0.5
177.01979	0.6
178.02684	0.5
179.03363	0.4
179.05621	0.8
181.12346	38.5
182.12665	2.0
183.10226	1.4
191.69984	0.4
191.80588	0.4
191.92216	0.5
193.05069	3.4
195.02817	0.5
195.13902	4.9
199.09743	1.4
207.10231	0.8
211.13365	0.5
223.13403	1.2
225.11342	8.7
226.11716	0.4
243.12282	1.5
265.09225	1.3
269.17630	0.6
283.10306	1.7
285.13239	0.4
287.05511	0.5
297.06122	0.7
315.07205	18.3
316.07520	1.7
323.07739	0.7
337.09201	0.6
373.18640	1.5
411.44507	0.4
430.86877	0.5
431.22815	1.3
473.20251	1.2
487.84747	0.4
491.11945	50.6
491.21262	100.0
492.12271	7.5
492.21564	14.6
492.28751	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
59.01379	47.3
60.01691	0.8
61.98831	23.4
65.00316	0.6
67.75430	0.6
70.90022	1.9
71.01386	8.2
71.05021	1.7
72.02191	0.6
72.99300	0.9
73.02959	3.3
74.02477	1.8
75.00877	2.8
83.01392	1.8
83.05022	0.5
85.02959	5.1
87.00875	1.5
87.04523	50.0
87.86206	0.5
88.04848	1.1
89.02447	4.3
92.76247	0.5
93.03461	0.8
95.01388	1.0
97.02940	0.9
99.00845	0.9
99.04523	2.4
101.02454	6.0
107.01394	1.3
108.02180	1.7
109.02934	1.3
113.02467	4.1
114.02852	0.6
119.03558	2.7
119.05053	2.4
121.02959	3.8
123.04554	4.1
125.02457	1.8
125.09676	0.8
134.03783	1.0
135.04564	4.7
137.02420	1.7
137.09705	1.7
139.11346	1.1
143.03575	0.8
145.02957	2.9
150.03198	0.5
151.00388	6.0
152.01131	2.1
153.05594	1.2
155.10817	10.5
160.01639	1.2
161.02483	1.2
161.04588	3.7
163.03999	1.5
165.05600	5.2
165.09375	0.6
167.10736	0.7
175.04018	1.4
177.04102	0.6
178.36971	0.6
179.05569	0.7
181.12326	1.0
183.10240	0.9
185.11818	1.3
199.09789	5.2
207.17520	2.9
209.15454	0.8
213.11353	0.8
225.07707	5.1
241.10846	0.9
251.16557	0.7
263.11148	0.7
269.17560	100.0
270.17926	8.7
272.02966	0.8
273.03043	0.9
287.05600	3.9
293.17529	2.9
300.02786	1.2
300.26196	0.6
301.03244	0.9
302.03339	1.7
355.06693	0.8
357.14304	0.6
373.64890	0.7
431.22806	5.5
432.23224	0.6
436.19754	0.6
462.23456	1.1
491.11368	2.7
491.15073	0.8
491.21152	3.9
491.25433	5.6
492.24878	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	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
57.03440	1.0
58.00595	0.4
59.01085	0.7
59.01379	12.0
61.98833	9.2
69.39563	4.1
71.01389	5.5
71.05025	0.8
72.99321	1.1
73.02952	3.2
75.00882	0.7
83.01402	0.8
83.05038	1.0
85.02957	2.5
87.00891	1.1
87.04534	3.2
89.02459	2.3
93.03458	0.8
97.02962	0.8
101.02460	4.4
101.06083	1.7
103.04010	0.5
103.44943	0.4
104.39573	0.4
108.02204	0.8
109.02981	0.6
109.06624	0.5
111.04535	1.5
113.02492	2.0
119.03503	1.1
119.05018	0.9
123.04544	1.1
125.02451	1.0
129.05597	6.6
134.77589	0.4
135.08141	1.0
137.02480	0.7
137.09741	11.8
137.10808	0.7
138.10100	0.6
139.11317	1.8
143.03555	0.5
145.02963	0.9
147.06659	6.6
149.02235	0.5
151.00392	1.8
151.11313	0.6
152.01120	0.7
153.01979	1.0
155.10802	58.1
156.11128	3.1
159.03102	0.5
160.04065	2.6
161.02480	1.3
161.04633	0.9
163.04028	0.6
167.03525	4.1
169.12337	2.3
170.12643	0.4
175.04034	0.4
181.08754	3.1
181.12396	0.8
183.10280	1.5
192.48935	0.5
197.11856	0.6
199.09782	21.5
200.10146	1.3
213.11319	3.0
225.11447	0.6
241.10806	10.9
243.03012	1.3
243.12360	1.2
244.03294	1.7
245.03555	1.1
255.03044	3.4
256.03314	3.5
257.03561	4.3
258.03857	0.4
269.17557	1.5
271.02472	7.1
272.02814	6.7
273.03003	9.6
274.03543	1.1
287.05627	0.7
291.10870	1.3
300.02756	9.9
301.03146	13.1
301.12811	0.7
302.03363	21.0
303.03928	4.3
309.11942	2.9
313.03571	0.4
431.22855	1.6
491.11020	25.4
491.21442	100.0
492.11441	2.1
492.21664	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	491.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77120	0.6
55.01878	2.5
57.03452	4.4
58.00589	3.3
59.01376	100.0
59.98519	0.7
60.01715	1.2
61.98827	42.8
62.39339	0.7
69.03451	5.5
71.01381	82.2
71.59438	1.0
72.01735	1.9
72.99313	6.7
73.02948	13.3
75.00878	3.7
81.03466	3.8
83.01386	5.7
83.05013	1.2
85.02954	18.4
86.00089	0.7
87.00885	8.3
87.04514	1.8
88.98796	0.7
89.02447	79.3
90.02795	1.7
93.03445	3.4
95.01389	5.6
95.51833	0.6
97.02957	7.7
99.00903	3.6
99.04540	1.2
101.02450	62.3
102.02810	1.1
107.01384	0.9
108.02206	2.2
109.02982	2.6
111.00925	1.9
111.04515	1.4
111.08170	1.1
113.02457	33.0
114.02826	1.2
116.92941	0.9
117.03495	2.0
119.03510	41.5
119.05019	2.2
120.03898	1.2
121.06650	0.8
122.51050	0.7
123.00911	0.9
123.04539	4.7
125.02457	32.4
126.02765	0.9
131.03517	7.3
133.03038	1.3
134.03745	6.4
135.04550	0.9
137.02499	2.7
137.09732	3.9
139.04059	1.4
143.03522	11.8
145.02939	3.9
149.04568	3.6
149.06084	0.7
151.00427	1.6
152.01306	1.4
153.01949	1.2
155.02611	0.7
155.10796	18.9
159.03033	1.0
160.01712	1.3
161.02464	2.6
161.04572	15.9
163.04045	1.1
165.09253	1.2
165.12846	9.4
167.03596	1.7
167.10785	47.1
168.11214	2.2
173.04552	9.9
175.04045	1.7
179.05614	22.3
179.10931	0.7
180.06001	1.4
183.13904	12.8
193.05054	8.2
197.15430	0.9
199.09756	9.3
201.11403	1.8
209.11923	1.7
213.11407	1.7
221.06644	21.7
221.08708	1.3
222.07106	1.2
227.12909	3.6
229.14473	0.7
241.10825	3.6
245.06750	2.5
256.03467	0.7
263.07730	8.8
265.20596	0.7
269.17722	2.3
271.02484	0.7
273.03122	1.1
281.09131	1.0
281.12448	1.5
287.05701	0.8
300.02795	1.3
302.03558	2.6
311.22507	0.9
315.07394	0.7
317.17551	1.5
323.09793	24.0
324.10315	2.1
329.10333	4.0
329.23242	0.9
431.23038	2.6
474.67038	0.7
491.11359	3.6
491.21744	22.5
491.28326	15.9
492.22043	3.7
492.29343	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
58.00587	0.8
59.01380	4.5
61.98822	2.4
63.02393	0.4
65.00317	1.1
65.19444	0.4
69.00218	0.3
69.03429	0.4
69.52148	2.3
69.52558	0.8
71.01382	2.8
71.05014	3.0
73.02941	3.8
75.00865	1.2
81.03457	0.5
83.01382	0.8
85.02933	1.1
87.04521	6.2
89.02452	0.6
93.03466	0.5
97.02956	1.0
99.04517	0.4
101.02441	3.4
107.01401	2.0
108.02201	0.5
109.02937	1.4
113.02444	0.8
119.05026	3.9
121.02977	1.4
135.00842	0.6
135.08185	1.9
136.08466	0.4
137.09723	16.1
138.10039	0.8
139.11278	1.4
147.06639	7.5
148.07043	0.5
151.00397	5.0
151.11308	0.7
152.00684	2.2
153.00797	1.4
153.01950	0.5
155.10786	86.9
156.11113	4.3
163.00356	1.3
163.04021	3.0
167.10753	0.4
169.12370	4.8
175.04008	0.5
178.99835	2.2
180.00218	1.3
181.00302	1.7
181.08737	4.7
181.10280	0.6
183.04436	0.4
184.36482	0.4
199.09756	43.1
200.10008	2.6
211.03923	0.9
212.04320	0.5
213.11275	4.9
215.03307	0.4
227.03421	1.1
228.03752	0.7
229.04071	0.7
241.10793	21.4
242.11107	1.4
243.02946	2.7
244.03322	2.6
245.03438	2.7
246.04907	0.4
254.02156	0.9
255.02931	7.8
256.03259	6.3
257.03534	8.2
258.03882	0.7
271.02438	13.5
271.11969	0.7
272.02795	13.0
273.02994	18.0
274.03406	1.4
275.04404	0.6
283.02457	0.5
285.03101	0.6
300.02731	20.1
301.03198	28.4
301.12769	4.2
302.03384	42.1
303.04001	18.3
304.04376	0.8
361.14862	1.2
448.09439	0.5
449.09998	1.4
473.19986	0.4
491.10916	56.3
491.21301	100.0
492.11145	5.8
492.21634	14.5
492.28757	0.7
514.43665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.1
58.00583	1.2
59.01379	35.4
61.19141	1.0
71.01385	29.0
72.99301	5.6
73.02955	4.2
75.00888	4.5
83.01392	1.4
85.02946	7.4
87.00881	8.7
89.02454	32.3
90.02785	1.1
93.03472	3.1
95.01375	1.6
96.96953	1.7
98.20660	2.6
99.00874	1.5
101.02454	15.1
101.06106	2.0
103.04008	2.6
105.01972	2.0
109.58164	1.2
113.02483	7.1
115.00391	5.7
119.03513	7.6
120.05480	1.1
121.02994	1.4
126.44659	1.1
129.01958	4.1
129.05569	1.5
131.03497	8.3
133.01476	2.7
137.45331	1.2
145.13885	1.4
147.03021	10.6
147.06621	6.7
149.04572	100.0
150.04977	3.0
153.01959	1.4
165.01880	1.5
165.04097	6.5
165.05386	1.2
166.29659	1.2
177.04066	1.5
179.05627	3.5
181.07277	2.8
182.02234	1.6
191.05592	6.5
195.05142	3.2
309.11908	68.1
310.12219	3.6
341.11011	1.5
342.11157	1.4
343.12415	13.6
491.14059	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	491.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.3
57.03446	3.8
58.00593	1.5
59.01379	34.1
60.99299	1.4
61.98824	3.1
62.86386	0.8
69.03481	0.9
71.01383	54.6
71.07388	1.7
71.07736	1.2
72.99308	1.8
73.02950	18.2
75.00874	1.1
81.03452	0.8
83.01399	7.4
85.02957	28.6
86.40588	0.8
87.00873	3.1
88.98801	10.0
89.02443	10.2
95.01400	4.3
97.02964	2.5
99.00891	7.5
101.02456	52.4
111.00882	1.2
113.02460	23.1
114.02801	1.3
119.03519	3.5
120.01266	0.8
121.02887	1.0
125.02438	3.5
129.01991	0.9
143.03502	3.0
145.02989	1.6
146.03348	1.3
152.93628	0.8
159.03027	4.6
161.04579	27.9
162.04861	1.1
162.21489	0.8
167.03470	0.9
179.05568	1.4
221.06779	1.1
263.07709	1.5
269.10287	27.9
270.10602	2.5
270.59882	0.8
286.85590	0.9
323.09854	1.6
431.15582	100.0
432.15955	13.2
491.16586	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	491.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57370	1.7
57.03451	7.1
58.00587	2.7
59.01377	58.6
60.99330	2.5
61.98832	44.1
62.67913	1.8
71.01392	43.7
71.05011	2.1
72.99307	8.3
73.02946	14.7
75.00888	16.0
83.01392	4.9
83.05058	2.2
85.02969	27.2
87.00896	10.7
88.98819	14.1
89.02453	22.0
93.03461	13.1
94.03825	2.4
95.01419	4.3
96.96037	2.1
97.03004	3.0
98.20670	3.8
99.00879	11.2
99.04530	3.4
101.02468	16.5
103.00430	3.2
103.03979	1.6
105.01997	6.6
108.02207	2.9
109.03007	4.7
111.00230	2.1
111.00885	8.4
112.25987	1.5
113.02481	18.0
115.00404	8.0
115.57797	2.1
117.03535	2.2
119.03541	7.8
119.05047	2.9
121.02973	100.0
122.03312	3.6
123.04560	6.9
125.02496	7.9
129.01994	6.7
131.03523	2.4
133.02965	17.2
134.03712	1.8
135.04561	31.5
136.04849	2.6
137.02496	7.4
139.00400	29.8
145.02986	5.0
150.05692	2.4
152.01257	2.7
153.09254	10.4
153.36066	1.9
161.02457	56.9
161.04477	8.2
161.06042	2.8
162.02837	8.0
163.04048	5.8
165.07713	2.6
173.04521	2.4
175.02579	7.6
175.03989	3.4
177.01912	2.1
177.04070	11.3
179.03575	5.0
179.05539	3.5
179.10721	4.1
182.99280	3.7
191.05605	2.6
193.05164	2.8
195.05142	5.7
197.08260	7.4
197.11873	6.2
211.07855	2.3
211.32405	1.8
235.06198	2.8
236.90593	1.8
249.06117	8.6
265.07132	2.2
267.07202	9.8
276.46136	1.9
289.07242	2.3
295.10513	1.9
299.11258	4.1
299.14270	2.3
309.11887	13.9
315.14578	2.2
325.08499	3.3
327.08713	2.4
343.12799	2.3
371.12534	3.0
373.14679	2.3
375.12930	22.8
376.13477	3.3
428.12851	3.1
431.15555	14.0
431.22900	8.2
447.12848	10.9
455.12213	2.4
473.10376	2.6
473.16696	3.0
491.11844	12.0
491.17700	83.3
492.11661	2.5
492.18069	12.8
492.24255	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	491.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03442	1.2
57.12427	0.5
57.31960	0.5
58.00597	0.6
59.01376	25.3
61.98827	40.0
68.62366	0.6
69.03468	0.7
69.57702	0.5
71.01383	15.9
71.62215	1.1
72.99310	1.0
73.02943	4.2
75.00863	3.5
81.03448	1.0
83.01382	1.3
83.05064	0.6
85.02954	5.1
87.00892	2.1
87.04526	1.4
88.98819	0.9
89.02446	9.9
93.03458	3.9
95.01389	1.5
95.05048	2.6
96.95995	0.6
97.02957	0.7
99.00904	1.1
99.04520	1.1
101.02448	9.1
102.02778	1.0
103.03972	0.7
108.02203	6.0
109.02962	5.8
113.02457	6.0
115.92101	0.6
117.03477	1.1
119.02804	0.7
119.03516	4.2
119.05044	2.1
121.02958	1.3
121.05073	2.1
121.06645	0.7
122.03779	1.0
123.04537	98.0
124.04884	3.5
125.02440	2.3
129.05562	0.7
132.02191	8.1
133.02965	2.4
134.03751	15.3
135.03041	0.7
135.04446	2.0
137.02425	4.2
137.09756	2.6
139.00412	0.8
143.03494	0.8
145.02971	2.2
149.06104	2.6
149.99667	0.6
151.03986	1.0
152.01175	6.6
153.02020	4.6
153.05591	100.0
154.05928	4.3
155.10796	12.9
159.02879	0.7
160.01669	46.2
161.02475	5.9
161.04536	3.4
161.09767	0.6
163.11311	2.4
167.10786	10.6
168.11168	0.9
175.04012	62.7
176.04376	4.3
177.01904	1.4
177.04013	0.8
178.02782	1.0
179.03505	1.6
179.05576	2.7
179.10858	1.4
181.12413	3.6
183.10291	0.6
191.07120	1.0
192.36009	0.6
193.05086	15.5
194.05353	0.7
195.05023	0.6
199.09753	7.4
200.10165	0.7
217.05173	1.1
225.11330	2.9
235.06178	1.0
241.10783	2.6
269.17474	1.0
271.06039	1.6
283.10303	2.8
284.10654	1.4
285.10843	2.0
301.13062	0.7
315.07242	2.6
315.10934	1.6
323.10336	1.0
337.09268	91.0
338.09634	7.3
431.23001	5.0
447.13126	0.9
491.12198	10.6
491.21222	27.4
492.12228	1.9
492.16238	0.6
492.21835	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	491.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03452	1.2
58.00595	0.9
59.01380	10.4
61.98832	6.8
69.44971	1.7
69.45374	1.0
71.01382	5.5
71.01762	0.4
72.01745	0.3
72.99311	0.5
73.02948	4.4
75.00887	1.3
79.59233	0.3
81.03452	0.6
83.01409	1.1
85.02950	2.9
87.00900	1.0
87.04520	6.4
88.98765	0.4
89.02457	2.9
93.03483	0.9
95.01389	0.5
97.02969	1.0
99.00896	3.4
99.04538	0.4
101.02452	8.9
101.03090	0.6
108.02206	0.8
109.02979	1.0
111.00883	0.6
111.04536	0.5
113.02483	2.6
117.03526	0.6
119.03540	0.9
120.05736	0.3
121.02972	0.8
123.04528	0.5
125.02480	0.9
125.06082	0.4
129.01959	0.4
131.03496	0.7
132.02248	0.4
133.02979	0.4
134.03725	0.6
135.04553	2.3
135.08191	1.3
137.02484	1.2
137.06091	0.3
137.09743	15.8
138.10059	1.0
139.00386	3.1
139.11319	1.3
143.03526	0.9
145.02997	1.8
145.05136	0.4
147.02974	0.5
151.00404	1.5
151.11343	1.0
152.01129	0.5
153.01944	1.3
153.09306	0.9
155.10797	100.0
156.11121	4.7
157.50266	0.3
160.01677	1.6
160.05284	0.5
161.02463	1.1
161.04515	1.5
163.04088	0.5
165.05597	0.7
166.18137	0.3
167.10719	0.5
169.12386	3.7
175.04013	1.7
175.07602	0.5
177.09340	0.3
179.03461	0.5
179.05637	0.9
181.07259	0.6
181.08730	4.0
183.10258	0.7
185.11896	0.4
191.05684	0.6
193.05063	0.3
199.09766	76.4
200.10126	3.8
213.11322	4.4
241.10808	19.4
242.11092	1.3
243.12332	0.5
253.10710	0.6
271.02527	0.3
271.11896	4.5
287.05664	2.0
300.02774	0.5
301.12927	16.9
302.13297	1.5
315.05078	1.0
329.14059	1.4
337.09125	0.5
343.13638	0.7
361.15021	18.8
362.15402	1.5
431.22961	2.1
432.22955	0.5
455.21298	1.0
459.05197	0.3
473.14630	1.0
491.17548	46.5
492.17984	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	491.1566
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
55.01870	1.0
57.03430	0.9
59.01371	19.9
60.01707	0.9
61.98826	29.8
62.98525	0.7
66.34222	0.5
69.03440	0.8
69.23641	6.9
71.01377	12.3
72.01721	0.7
72.99325	1.2
73.02952	2.9
75.00864	3.1
81.03465	0.6
83.01394	1.8
85.02958	5.3
87.00870	1.4
88.98824	0.9
89.02451	7.2
91.48227	0.5
93.03465	5.0
95.01395	1.3
95.05023	2.4
97.02963	1.5
98.20591	1.3
99.00921	1.4
99.04528	1.3
101.02458	8.5
103.04064	0.5
108.02168	4.7
109.02966	5.2
111.00928	0.6
113.02441	4.4
117.03484	1.3
119.03528	2.9
119.05058	1.3
121.02946	1.3
121.05054	0.9
122.03786	1.4
123.04531	97.5
124.04859	5.1
125.02447	2.1
131.03499	0.6
132.02197	8.9
133.02992	2.8
134.03751	14.6
135.04471	1.3
137.02437	4.6
137.09731	1.2
143.03494	1.2
145.02956	2.1
149.04857	0.5
149.06096	2.7
152.01152	5.1
153.02031	5.3
153.05580	100.0
154.05884	5.0
155.10789	6.8
156.11139	0.6
159.02985	0.5
160.01663	45.1
161.02383	4.7
161.04549	3.0
161.05838	0.6
163.03978	1.4
163.11314	1.1
167.10783	8.9
168.11096	0.7
175.04001	64.3
176.04337	3.1
177.05360	0.8
178.02684	1.2
179.03471	1.6
179.05618	2.2
179.10809	1.4
181.12408	4.6
183.10210	0.6
191.07207	0.7
193.05060	16.5
194.05322	0.7
199.09819	4.1
200.09871	0.7
217.05081	0.8
221.06635	1.0
225.11333	2.2
241.10867	1.9
269.17648	0.9
270.80984	0.6
283.10291	1.9
284.10999	0.7
285.10675	0.8
315.07227	2.4
315.10880	1.8
337.09262	85.2
338.09598	8.6
389.68576	0.6
431.23102	3.4
491.11945	6.7
491.21274	17.2
491.28250	1.5
492.11664	1.3
492.21478	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
51.01310	0.2
55.01876	0.2
57.03449	0.8
57.36975	0.2
59.01377	6.1
60.57011	0.2
61.98832	2.6
68.99854	0.3
69.03455	0.3
69.52843	1.2
69.53262	0.8
71.01388	5.6
71.05016	0.5
72.99312	1.1
73.02962	1.3
75.00874	3.5
78.95911	0.6
80.99223	0.2
81.03490	0.3
83.01398	0.8
85.02960	3.0
87.00892	1.0
88.98808	1.1
89.02466	1.3
93.03465	1.0
95.01397	0.9
95.05066	0.4
96.96034	1.1
96.96969	1.1
97.02938	0.5
98.19846	0.4
99.00906	1.4
99.04532	0.4
101.02448	1.9
102.02830	0.3
103.00415	0.2
105.03458	0.4
105.74868	0.2
108.02200	1.2
109.02950	1.5
111.00871	0.5
113.02470	3.2
115.00383	0.4
117.03477	1.2
119.03529	0.7
119.05024	0.6
120.99681	0.6
121.02975	1.4
122.03760	6.8
123.04547	6.5
124.04844	0.3
125.02453	0.6
129.01923	0.5
132.02168	1.3
133.02972	33.7
134.03459	1.3
135.04543	12.5
136.04848	0.5
137.02480	1.6
137.06255	0.3
137.09737	1.8
139.00372	1.0
139.04031	0.5
145.02946	0.7
149.02513	0.9
151.04085	0.2
153.09247	1.0
159.03073	0.4
161.02460	100.0
162.02800	4.6
163.04041	0.6
163.07686	0.4
165.05609	0.4
175.04056	0.3
177.04037	1.0
177.05608	1.1
179.03508	7.4
179.05270	0.4
179.05737	0.4
179.10802	0.6
180.03862	0.5
182.06068	0.3
187.03876	0.2
191.05606	0.3
197.11821	1.0
199.08844	0.4
203.03534	0.6
203.07173	0.2
205.05081	0.5
221.04602	1.1
229.33713	0.3
245.48521	0.3
249.06140	1.5
254.19019	0.3
265.06918	0.2
267.07178	0.4
276.83237	0.3
280.06003	0.4
307.08466	0.3
311.41919	0.2
315.14499	0.5
323.07700	4.8
329.08768	2.5
375.12994	2.4
385.52960	0.2
412.69824	0.2
431.15512	0.8
431.22906	1.3
447.12949	30.3
448.13342	5.4
455.12070	0.4
473.10852	9.4
474.10855	1.3
491.11960	30.5
491.17905	8.6
492.12280	5.1
492.18283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08227	0.4
51.66520	0.3
54.02242	0.3
55.01869	0.8
57.03442	0.9
58.00588	0.7
58.27246	0.3
59.01374	14.4
61.98823	7.6
69.03440	0.5
69.33528	1.4
69.33953	2.3
71.01380	13.6
72.99306	0.7
73.02951	5.0
75.00862	1.1
78.80511	0.3
81.03471	0.6
83.01389	1.7
83.75831	0.3
85.02952	4.6
86.03735	0.4
87.00889	1.1
87.04504	0.9
88.90140	0.3
89.02448	7.3
91.01881	0.5
93.03487	1.3
95.01392	1.0
97.02946	0.8
99.00911	1.4
99.04520	0.6
101.02457	7.4
103.04000	0.5
108.02171	6.9
109.02959	39.9
110.03308	1.4
113.02439	3.3
113.06110	0.5
119.03512	2.2
119.04995	0.4
121.02945	0.6
121.05077	8.0
123.00878	1.0
125.02444	0.6
131.03677	0.4
132.02171	1.2
133.03020	0.8
134.03751	4.1
135.04515	1.1
137.02470	2.2
137.09712	0.5
139.11296	0.5
143.03497	0.5
147.89420	0.4
151.03972	0.4
152.01169	9.9
152.57410	0.5
153.01945	39.6
154.02280	1.5
155.10773	2.0
159.11911	0.4
160.01686	7.0
161.02486	3.1
161.04599	1.3
162.02737	0.5
163.11281	2.3
170.60635	0.4
175.04008	8.6
177.04228	0.4
177.12886	0.8
178.02711	0.6
179.05644	0.6
181.12344	42.4
182.12634	2.1
183.10284	0.7
193.05084	3.0
195.13921	5.6
199.09758	0.8
207.10162	0.7
223.13409	1.0
225.09200	0.7
225.11313	7.1
226.11635	0.4
243.12402	0.8
265.09195	1.2
267.12271	0.5
283.10339	1.7
315.07217	14.5
315.10907	0.9
316.07629	1.1
343.13821	0.5
407.06412	0.4
431.22668	0.9
442.44919	0.4
473.20221	0.8
491.11993	33.5
491.21286	100.0
492.12305	5.9
492.21622	13.4
492.28809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01381	8.0
61.98825	9.4
67.22393	1.0
69.04897	0.8
71.01383	1.6
71.05012	1.8
71.58872	1.1
71.59232	1.4
72.50781	0.8
73.19502	0.7
78.95911	14.9
85.02961	0.8
108.02161	0.9
135.88043	0.8
140.01205	4.8
140.07118	0.8
145.02888	1.0
152.99550	1.8
171.00636	2.0
179.14409	1.5
195.13892	8.7
196.03784	2.4
196.14458	1.2
205.12273	1.4
214.04823	5.5
223.13402	7.0
224.13734	1.0
256.13159	1.3
271.02505	0.9
275.20193	4.4
293.21222	100.0
294.21573	10.0
301.03110	1.4
394.07172	0.9
430.26874	1.4
430.33936	2.6
460.27878	0.9
489.35727	1.4
490.10532	1.4
490.25766	38.7
490.36096	74.0
491.12839	1.3
491.26205	9.8
491.36905	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	491.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
64.18854	0.4
69.03439	0.7
69.25525	5.5
71.01388	1.3
73.02944	0.5
81.03487	0.7
85.02982	0.8
93.58932	0.5
95.01397	1.0
97.02964	0.5
98.20759	0.9
99.87032	0.5
101.02467	0.6
108.02185	49.6
109.02979	31.8
110.03317	1.0
111.48068	0.5
115.09164	0.5
117.03436	0.7
123.00897	1.1
132.02182	5.7
133.02963	3.0
134.03766	6.3
135.00854	0.8
135.04539	2.5
137.02341	0.5
140.34177	0.5
152.01173	47.4
153.01964	22.7
154.02309	1.1
160.01668	26.3
161.02467	12.4
162.02872	0.6
165.01947	0.7
175.02541	1.0
175.04013	16.8
176.04359	1.7
177.05461	0.7
178.02771	0.6
179.03520	1.3
183.96960	0.6
193.05081	2.4
209.67003	0.5
228.04115	0.6
242.05769	0.7
243.06569	1.3
261.21417	0.5
288.49521	0.6
315.07199	18.1
316.07547	1.3
321.32272	0.5
323.07849	3.1
337.09317	1.2
371.64581	0.5
401.94437	0.6
447.12814	1.4
459.09341	1.2
491.11920	100.0
492.12262	13.3
495.42007	0.6
506.53351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01377	4.4
61.98826	100.0
62.98528	0.3
69.32242	0.4
69.32648	0.8
71.01374	1.9
72.01725	0.2
72.99312	0.2
73.02952	0.7
75.00878	0.6
83.01363	0.1
85.02965	0.8
87.00874	0.2
87.42854	0.1
89.02448	1.1
90.02789	0.1
90.87356	0.1
95.01381	0.3
97.02989	0.2
98.20671	0.3
99.00870	0.2
99.04551	0.1
101.02448	1.3
108.02179	1.8
109.02953	1.7
113.02446	0.7
114.02846	0.1
115.92071	0.2
119.03541	0.5
119.05068	0.3
121.02956	0.6
121.05070	0.2
125.02495	0.3
131.03493	0.1
132.02180	0.3
133.02959	0.4
134.03773	0.4
135.02995	0.2
135.04539	0.4
135.11838	0.1
137.02475	0.2
137.09755	0.2
139.11284	0.6
143.03560	0.2
145.02960	0.4
147.04527	0.2
152.01161	2.6
153.01941	1.4
153.05513	0.3
155.10802	0.8
157.11368	0.1
160.01660	1.2
161.02470	1.4
161.04593	0.4
161.05989	0.2
161.09717	0.2
163.04057	0.4
164.03459	0.2
175.03987	1.6
177.04106	0.2
179.03514	0.3
179.05627	0.2
179.10835	0.4
180.11151	0.3
181.12366	0.8
183.10269	0.8
191.05618	0.1
193.05121	0.2
199.09851	0.5
199.13348	0.2
225.11345	0.9
241.87807	0.1
243.12370	2.3
255.15997	0.1
269.17828	0.1
283.10361	0.6
284.10712	0.4
285.13379	0.7
290.57373	0.1
301.13022	0.1
315.07166	0.7
315.14642	0.2
323.07858	0.2
325.08737	0.1
337.09457	0.4
343.13953	0.2
345.15494	1.0
357.82651	0.1
373.18915	0.4
388.82172	0.1
405.17746	0.4
427.16251	0.4
431.22922	0.7
455.15417	0.2
490.13892	0.2
490.20810	0.5
491.12152	4.6
491.21408	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3588
Annotation	Armatinol B
Peak:m/z	Relative Intensity
55.94535	0.3
56.45528	0.3
57.03442	0.9
59.01384	4.7
61.98836	2.2
64.14954	0.3
69.03448	0.3
71.01395	3.2
71.05031	2.3
71.46900	0.4
71.47250	0.3
72.99319	0.4
73.02962	1.3
75.00883	0.4
78.95908	8.3
83.01388	0.4
83.05020	0.4
85.02952	1.4
88.98837	0.6
89.02466	0.8
97.06665	0.3
99.00913	0.6
101.02465	2.3
113.02498	1.0
125.21366	0.2
131.03560	1.0
140.01201	0.3
151.00400	0.5
152.99637	1.7
161.04645	0.9
167.12300	0.3
171.00713	1.9
195.13911	2.5
196.03804	0.4
214.04842	1.3
215.03525	0.6
223.13414	2.2
230.05888	1.1
255.03038	0.9
260.78549	0.3
261.44467	0.3
271.02496	1.4
275.20145	1.1
293.21234	22.1
300.02774	2.2
301.03583	1.1
357.22861	2.3
358.23239	0.5
385.27475	0.3
409.31247	0.9
411.25415	0.5
429.26468	2.3
429.33887	4.8
430.26859	0.4
430.34021	0.9
489.10556	1.9
489.29483	4.3
489.35944	100.0
490.10733	0.4
490.25919	14.5
490.36310	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	489.3585
Annotation	Sodwanone M
Peak:m/z	Relative Intensity
59.01376	1.3
60.99298	0.2
61.98840	0.8
67.49249	0.2
69.51654	0.3
69.52054	1.2
71.01406	0.2
73.02949	0.4
101.02458	0.2
103.91006	0.1
106.30224	0.2
108.04703	0.1
111.17575	0.1
117.97793	0.2
161.79269	0.2
183.69583	0.1
201.05396	0.2
271.02414	0.2
300.02533	0.4
407.28992	0.2
409.31195	0.4
411.24872	0.2
423.32639	0.7
425.34592	0.4
429.30414	8.3
430.30630	1.5
441.33966	0.3
443.35257	0.5
444.35388	0.2
457.29660	0.4
459.30270	0.3
469.33142	0.3
471.34195	0.2
487.34293	1.5
488.34814	0.4
489.36136	100.0
490.36487	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	489.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18036	0.5
59.01376	100.0
60.01714	1.1
61.98831	3.6
64.89621	0.7
76.13869	0.6
79.65611	0.7
91.04035	1.2
122.06078	0.6
140.27136	0.6
149.52589	0.5
167.75012	0.5
229.70950	0.6
355.32220	1.5
418.56262	0.7
452.20813	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
58.00615	0.1
59.01378	4.2
61.98829	100.0
62.98533	0.2
71.01392	2.0
71.64113	0.1
71.64557	0.1
72.99337	0.1
73.02939	0.6
75.00885	0.4
76.02856	0.1
85.02971	0.6
87.00899	0.2
87.04543	0.2
89.02443	1.1
93.03490	0.1
95.01393	0.2
95.82001	0.1
97.02956	0.2
98.38771	0.1
101.02450	1.2
108.02179	2.0
109.02948	1.6
113.02476	0.7
115.00405	0.1
119.03543	0.4
119.05072	0.4
121.02963	0.6
123.04542	0.2
125.02438	0.2
132.02214	0.3
133.02972	0.3
134.03783	0.3
135.03017	0.2
135.04558	0.2
137.02475	0.4
137.09737	0.2
139.11322	0.6
143.45074	0.1
145.02977	0.4
147.04590	0.1
149.99635	0.2
151.00392	0.1
151.03993	0.2
152.01154	2.4
153.01971	1.5
153.05690	0.2
155.10815	0.8
160.01680	1.3
161.02473	1.1
161.04626	0.4
162.02849	0.1
163.04088	0.4
168.00591	0.1
173.04599	0.1
175.04001	1.4
177.04123	0.3
177.05594	0.2
179.03548	0.2
179.05653	0.2
179.10847	0.3
180.11165	0.3
181.12411	0.6
183.10286	0.8
191.07213	0.2
193.05132	0.3
199.09802	0.4
225.11328	0.8
243.12334	1.9
283.10413	0.4
285.13397	0.7
315.07135	0.9
323.07788	0.2
337.09079	0.2
340.73669	0.1
345.15460	0.8
363.46646	0.1
373.18881	0.2
405.17737	0.5
427.16055	0.2
431.23154	0.8
473.06146	0.2
490.13153	0.2
490.20703	0.5
491.12103	5.1
491.21417	2.8
491.28470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
59.01376	3.7
61.98848	0.5
64.38310	0.2
73.02959	0.7
78.95897	1.4
89.30407	0.2
97.05918	0.2
98.20734	0.4
104.83879	0.2
183.13969	0.4
207.59544	0.2
223.13226	0.2
229.73615	0.3
255.03194	0.2
258.70160	0.2
271.02615	0.3
293.21161	2.3
300.02707	0.9
301.03647	0.5
305.21228	0.5
311.20200	0.4
351.23242	0.3
353.25046	0.2
357.20795	0.2
359.36914	0.2
367.26791	0.4
383.26138	0.4
384.26517	0.2
393.28323	0.4
411.25177	1.0
412.25812	0.3
428.32431	0.2
429.26453	8.2
430.26871	1.4
441.30716	0.3
471.31400	0.5
489.32538	100.0
490.32874	18.1
493.58429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3584
Annotation	Armatinol B
Peak:m/z	Relative Intensity
57.03445	0.6
59.01380	5.9
60.99307	0.6
61.98835	1.0
69.03451	0.3
71.01384	0.4
71.05021	1.9
71.36139	0.4
73.02943	1.1
78.95914	0.7
83.05103	0.2
85.94102	0.2
89.02435	0.3
89.67728	0.2
109.06636	0.3
120.15858	0.2
121.06622	0.2
123.08176	0.3
124.72260	0.2
126.55030	0.2
169.66599	0.2
181.12369	0.2
187.20384	0.2
187.24025	0.2
202.16460	0.2
245.19089	0.2
249.07928	0.2
271.02621	0.4
293.21222	0.9
300.02811	0.7
301.03375	0.3
313.21558	0.3
329.24927	0.6
339.23444	0.2
341.24954	0.8
342.24945	0.3
351.23318	0.4
355.22858	0.6
367.22797	0.3
367.26492	2.5
381.24478	0.3
383.25739	1.7
383.29715	0.3
384.26358	0.3
385.27341	1.0
409.31195	0.6
411.24930	2.8
411.30191	0.3
412.25775	0.8
423.32822	0.3
425.30093	0.4
427.32120	0.9
428.32324	0.3
429.26459	22.0
429.33615	5.5
430.26804	4.3
430.34103	0.9
443.31430	0.4
445.37244	0.3
459.30341	0.4
471.30890	2.6
472.31671	0.3
473.32672	0.5
489.29031	20.6
489.35754	100.0
490.29102	4.4
490.36090	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	489.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87772	0.5
56.80206	0.5
59.01377	8.3
60.99309	14.4
61.98831	7.0
69.71413	1.4
69.71821	2.1
70.34040	0.4
71.01377	1.9
72.99302	0.7
73.02955	1.1
75.00877	0.8
87.00882	1.2
88.00403	2.2
88.98817	100.0
89.02451	29.0
89.99165	1.2
90.02791	1.0
92.43262	0.6
93.03432	0.6
98.19869	0.8
99.00898	0.6
101.02471	0.8
111.00887	0.6
113.02498	0.8
116.56876	0.5
119.05043	1.3
121.02968	0.7
125.02476	0.6
130.08740	0.5
137.02467	0.6
145.02977	1.1
147.04555	1.3
151.00395	1.7
152.03535	1.9
155.10834	0.7
173.04594	0.7
175.04063	0.6
178.99876	0.7
191.05682	0.7
255.03014	2.7
271.02441	3.9
271.05664	0.8
300.02719	5.7
301.03519	3.7
341.12439	0.5
395.42233	0.6
429.26425	2.0
439.47147	0.6
489.10178	4.4
489.28632	4.6
490.10413	0.8
490.27911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51845	0.4
59.01376	13.0
60.07887	0.4
60.99326	1.0
62.58407	0.3
63.94743	0.3
71.36003	0.5
71.36344	0.3
72.72125	0.3
73.02985	1.0
76.78508	0.3
82.11904	0.3
90.98733	0.4
107.50637	0.3
133.72569	0.3
141.18800	0.3
160.79214	0.4
234.97369	0.4
289.52786	0.4
299.20215	0.4
313.21970	0.5
329.24854	2.4
341.24814	2.7
351.23026	0.5
355.22849	2.4
367.26404	7.6
367.30225	0.3
368.26758	1.4
383.25839	4.4
384.26312	0.6
385.27472	3.5
386.27573	0.6
411.25406	7.1
412.25745	1.9
429.26434	62.5
430.26804	11.0
489.28528	100.0
489.35187	5.1
490.28922	19.0
490.35706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03447	3.8
58.00594	2.7
59.01378	70.6
60.82444	1.0
61.98829	40.2
69.40598	5.5
69.41032	4.4
71.01383	55.9
71.05015	1.3
72.01736	1.1
72.99326	3.4
73.02946	11.8
75.00899	4.7
83.01383	6.5
83.05057	1.1
85.02956	18.2
85.06620	1.4
87.00903	4.7
87.04532	2.0
88.69187	1.0
89.02448	41.5
90.02835	1.4
93.03477	4.4
95.01416	3.6
97.02982	1.7
98.20747	2.0
99.00874	5.5
99.04558	4.1
101.02454	44.6
101.03104	2.6
108.02145	1.9
109.02985	3.0
113.02463	20.8
115.00372	7.5
115.04012	1.4
117.03484	3.1
119.03522	15.1
119.05067	3.9
121.02991	2.4
121.05087	31.5
121.05904	2.3
123.04539	1.2
123.08121	1.3
125.02460	5.8
131.03555	1.8
132.02242	1.1
133.02968	18.9
133.10289	3.9
134.03754	1.8
135.04520	10.2
135.11836	12.4
137.02512	2.4
137.09773	4.2
139.11336	1.3
143.03578	4.0
143.08627	1.3
145.02977	7.7
145.05153	1.3
146.07396	1.4
149.02451	3.0
149.04553	1.4
149.09691	1.2
151.04054	2.5
153.01959	2.1
155.10793	24.1
159.08189	4.0
160.01665	2.1
161.02460	57.3
161.04507	11.5
161.05980	2.0
161.09737	17.1
162.02863	1.9
162.10196	1.7
163.04094	3.8
165.09236	9.5
175.04066	1.3
177.00461	2.3
177.01941	17.8
177.04231	1.4
177.05655	2.0
179.03506	5.5
179.05762	7.6
179.07315	3.3
179.10791	76.0
180.11148	3.9
181.01437	1.9
183.10341	2.0
189.01949	4.1
192.00781	1.7
192.94589	1.5
193.12413	1.3
199.09749	10.2
203.10832	3.0
205.01495	1.6
205.05074	2.8
207.98457	3.4
216.00623	2.5
217.01430	1.8
220.99200	2.3
221.11896	1.3
223.09834	1.5
225.11298	1.8
241.10915	3.0
243.12491	4.6
265.09290	15.7
267.16031	6.2
271.02570	1.1
283.10333	100.0
284.10666	6.9
300.02731	2.7
301.13034	1.4
307.08276	1.3
323.07828	4.8
334.17902	1.2
341.06726	2.0
345.15790	1.4
357.06418	4.6
361.15009	1.2
373.03876	18.9
374.04181	2.3
405.17831	1.5
429.21555	1.9
445.20782	6.7
446.21143	1.7
471.19101	1.4
489.19666	99.6
490.19922	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	489.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37519	0.4
55.01901	0.6
57.03444	1.6
57.33731	0.3
59.01378	64.5
60.01718	0.7
61.98829	5.2
65.33285	0.4
69.84094	0.4
71.01382	8.4
71.05032	1.2
71.33882	0.8
72.99321	0.6
73.02939	4.2
75.00875	0.7
83.01401	1.1
83.05040	1.5
84.33376	0.4
85.02958	4.8
87.00890	0.8
89.02447	2.0
91.66043	0.4
93.03477	1.3
95.01434	0.9
96.95370	0.4
97.02935	0.6
99.00918	1.1
99.04539	0.7
101.02446	4.6
101.06091	2.3
107.01460	0.6
107.02404	0.4
107.05053	1.6
113.02454	3.3
117.03440	1.1
119.03493	0.4
119.04999	0.9
125.02484	1.3
129.01920	0.3
132.02185	1.7
133.02979	1.0
134.03755	1.3
135.04541	1.5
135.08119	0.5
137.02440	0.6
137.09767	1.6
139.11307	19.8
140.11690	0.9
145.02966	2.4
146.03313	0.5
151.00412	1.7
151.04068	0.7
153.01988	1.2
153.09178	0.7
155.10800	6.8
159.04501	0.4
160.01678	9.6
161.02426	1.6
161.04579	2.5
161.05983	0.8
162.02789	0.6
163.02913	0.4
163.04091	0.9
163.11281	0.9
165.09264	1.2
175.04013	10.0
176.04405	0.6
177.01955	0.5
179.00012	0.4
179.03513	1.3
181.01485	0.7
181.12341	6.4
183.04581	0.7
183.10274	21.4
184.10628	1.7
187.04092	0.5
191.05443	0.4
193.05098	1.2
199.09796	3.1
199.13379	0.5
211.03931	0.7
225.11296	4.2
226.06418	1.0
227.03488	45.0
228.03838	3.2
229.05048	0.9
241.04959	0.5
241.08661	0.9
241.10846	0.7
243.12444	1.4
255.02971	55.4
256.03564	7.9
257.04514	1.0
263.11276	0.8
267.15994	2.2
273.91858	0.4
283.09747	0.9
284.03247	37.6
285.03940	16.4
286.04385	0.8
325.08133	0.6
327.05075	0.7
337.09320	2.4
343.09543	0.6
417.25311	0.6
445.15182	4.3
445.20670	0.8
446.15585	0.7
457.11191	0.8
471.22473	4.3
472.22739	0.6
489.10437	61.4
489.23456	100.0
490.10724	10.3
490.23721	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	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33518	0.3
57.03444	0.4
58.00574	0.5
59.01375	9.0
69.44675	3.4
69.44999	0.7
69.85735	0.4
71.01387	8.0
73.02953	3.7
83.01377	0.5
85.02960	3.1
87.00911	0.9
89.02455	4.8
89.37514	0.4
93.03465	0.8
97.02923	0.6
101.02459	5.7
111.17775	0.3
113.02467	3.0
117.03480	23.0
118.03785	0.8
119.03556	1.7
119.05041	28.0
120.05375	1.4
121.02962	0.6
123.04514	0.5
125.02473	0.4
131.03491	0.4
131.05089	0.4
132.02150	0.5
132.05829	0.7
133.06612	4.0
134.03758	1.7
139.05482	0.4
145.02968	100.0
146.03319	5.5
147.04477	0.9
149.06079	0.4
151.06143	0.4
157.17740	0.4
159.04478	0.4
160.01707	2.7
160.58745	0.3
160.95084	0.4
161.02472	0.6
161.04768	0.8
161.06110	10.0
162.03145	0.4
163.04024	42.1
163.06223	1.4
164.04341	2.0
175.04041	3.7
177.05591	4.5
181.07195	5.2
187.04048	0.9
193.05042	2.5
205.05075	13.3
205.07054	0.8
206.05420	0.7
210.18265	0.3
211.07613	0.7
218.45476	0.5
235.06166	4.3
265.04318	0.5
265.07135	9.1
266.07571	0.9
307.08185	2.9
325.08698	2.4
343.12515	1.1
388.67264	0.4
489.16116	88.8
490.16446	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	489.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25687	0.6
59.01090	1.0
59.01377	17.2
61.98835	3.1
69.03423	0.5
69.40409	5.2
69.40811	1.3
71.01389	12.5
73.02940	1.8
75.00883	2.7
83.01394	0.9
85.02962	3.7
85.57469	0.6
87.00875	1.1
89.02451	13.0
89.03008	0.8
89.72532	0.8
93.03478	1.9
95.01418	1.2
97.02988	0.7
99.00866	1.6
101.02458	6.5
103.00381	2.9
103.03984	0.9
109.02990	1.0
113.02451	4.3
117.03491	2.2
119.03511	2.5
119.05006	1.4
121.02980	1.9
128.76750	0.5
132.02188	12.7
133.02945	2.1
134.03755	32.1
135.04344	0.8
137.02463	1.8
143.03487	0.6
145.02911	0.9
147.04529	0.6
149.02498	1.6
149.06126	4.9
151.06128	12.1
160.01677	65.1
161.02211	2.8
161.04570	0.7
163.04065	1.5
164.04793	2.7
175.00673	3.4
175.04012	76.9
176.04518	6.6
177.01891	0.9
178.02771	1.2
179.05667	0.6
181.64529	0.6
190.02736	7.6
191.07143	4.0
193.05066	45.0
194.05418	2.8
203.07220	0.6
204.27657	0.7
205.05055	10.0
206.05319	0.6
207.06619	1.6
210.06842	1.2
211.07643	17.0
212.08011	2.1
220.03830	0.7
223.06100	4.4
225.16586	0.7
235.06108	14.7
249.06201	0.7
265.07104	3.0
295.07968	2.9
303.99365	0.5
313.11417	0.7
327.08710	1.6
327.80371	0.7
337.09332	3.7
355.10403	1.2
471.15756	1.6
489.16113	100.0
490.16473	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	489.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97266	0.6
58.00594	0.8
59.01377	12.6
69.30650	0.9
69.31049	4.7
69.75870	0.6
71.01380	8.8
72.99292	0.7
73.02940	1.6
75.00857	1.7
83.01361	1.2
85.02957	2.5
87.00889	6.4
88.00419	0.9
88.42934	0.6
89.02453	7.0
93.03484	1.1
95.01366	0.7
97.06573	0.7
98.19924	1.0
101.02439	4.8
103.00377	0.6
111.00912	0.6
113.02470	3.8
117.03473	3.5
119.03529	1.7
119.05049	1.4
121.03016	0.6
123.04512	0.6
132.02184	13.2
133.02942	2.4
134.03749	44.1
135.04135	2.0
144.60211	0.6
145.02953	2.2
147.04527	1.6
148.05270	0.6
149.06125	4.4
151.06129	7.2
156.08005	0.6
160.01669	72.1
161.02055	4.1
163.04019	1.9
173.04657	0.6
173.06084	0.8
175.04007	85.6
176.04625	7.0
177.01910	1.2
178.02681	1.7
179.03406	1.7
191.07138	5.9
193.05058	55.7
194.05370	3.2
207.06624	1.9
211.07632	3.3
220.03764	1.1
235.06096	17.9
235.08337	1.2
236.06499	1.5
265.07135	2.8
295.07941	3.3
313.11130	1.1
314.46112	0.6
331.56665	0.7
337.09238	1.6
355.10364	1.5
391.12613	1.1
489.16095	100.0
490.16425	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	489.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.5
57.48165	0.8
59.01375	15.9
60.79947	0.9
64.76657	0.7
69.79378	5.1
71.01383	86.0
71.05008	1.0
72.01753	1.7
72.99313	25.1
77.42899	0.7
83.01390	0.8
83.63873	0.8
85.02977	1.9
87.00882	30.5
89.02445	10.7
92.80322	0.8
93.03468	3.8
96.96969	0.8
96.99282	0.9
101.02464	4.1
101.06122	4.1
108.00584	0.8
108.02184	1.7
113.02432	3.3
115.00378	29.1
116.00700	1.1
119.03524	2.8
119.05045	6.9
129.01941	8.6
133.01472	4.3
133.02953	1.1
135.04543	1.0
143.03488	1.1
143.05045	1.2
145.03038	1.1
145.06598	1.0
146.04605	2.9
147.03011	100.0
147.06651	22.1
147.07851	1.2
148.03336	1.5
152.01140	1.2
161.02432	1.0
161.04536	1.8
163.04025	3.2
171.04451	1.1
179.05663	6.5
186.36917	0.7
195.05151	1.0
198.26430	0.7
209.54378	0.8
210.06903	2.5
211.07646	8.4
213.25659	0.8
223.07759	1.0
235.07483	1.2
237.09216	11.1
239.10732	2.5
253.08582	1.4
264.07968	1.2
265.08685	3.0
309.11890	1.0
315.07281	3.7
327.09198	0.8
341.10898	30.0
342.11322	1.5
362.52676	0.9
415.63232	0.8
448.96564	0.8
489.13992	29.3
490.14197	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	489.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71384	0.3
59.01377	7.9
63.02697	0.4
69.31200	0.8
69.31525	3.9
71.01385	6.6
73.02950	1.8
83.01438	0.5
85.02945	2.0
87.00919	0.4
89.02449	5.0
93.03477	0.5
101.02446	6.1
113.02431	2.2
116.97694	0.4
117.03472	21.5
118.03793	0.9
119.03548	1.4
119.05036	26.1
120.05378	1.1
121.02977	0.7
126.43192	0.4
131.03516	0.5
133.06619	2.1
143.03510	0.4
145.02966	100.0
146.03304	4.9
147.04562	0.6
161.06094	7.2
162.06410	0.7
163.04018	47.2
163.06198	1.7
164.04375	2.3
175.03990	0.5
177.05580	3.8
181.07187	3.4
187.03941	0.5
191.07152	0.4
205.05075	8.2
205.06966	0.5
206.05367	0.8
235.06088	2.9
265.07138	5.5
307.08255	1.1
325.08716	0.5
325.11533	1.3
335.66010	0.4
343.12418	0.8
462.61209	0.4
489.16098	80.6
490.16501	8.6
510.08725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34687	0.5
55.33442	0.6
57.03453	0.9
59.01381	10.9
61.98828	8.3
69.73501	3.6
71.01388	8.3
72.99314	1.3
73.02934	3.8
75.00867	1.0
83.01403	1.2
85.02948	4.8
87.00903	1.4
89.02449	2.7
93.03471	1.7
95.01373	0.9
97.02933	0.7
99.00900	1.2
101.02455	4.7
105.03448	0.9
106.04195	1.0
107.05048	21.1
108.05339	0.8
113.02470	3.4
116.92880	4.8
117.01943	0.7
117.03477	2.4
117.92847	0.8
119.03534	1.3
119.05041	1.8
121.05102	1.0
123.04539	1.6
125.02454	1.0
132.02193	18.3
133.02994	7.1
134.03761	21.0
135.04509	2.8
135.08195	1.2
137.02477	0.9
137.09746	2.6
145.02969	2.8
149.06036	2.8
151.04062	7.0
155.10806	11.1
160.01678	89.7
161.02478	14.9
161.04565	1.5
162.02829	0.9
163.04007	1.3
165.05536	1.3
175.04022	100.0
176.04390	5.1
177.01894	1.1
177.04147	0.9
177.05608	0.7
178.02754	1.1
179.03506	2.6
179.10789	2.8
181.12260	0.7
193.05075	18.2
197.06050	1.1
199.09814	3.5
210.06837	2.4
226.06371	8.0
235.06209	0.7
241.08717	10.6
242.09094	0.8
265.09451	0.6
267.06625	0.6
267.15848	3.1
268.16269	0.6
283.09836	9.4
284.10101	1.0
323.07684	2.6
337.09286	27.4
338.09671	3.1
357.13638	0.7
427.16293	1.1
445.15060	47.5
446.15396	7.1
457.11386	10.2
489.13754	11.1
489.19785	12.4
490.14050	2.2
490.20197	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
59.01371	20.6
61.98827	26.0
71.01379	93.1
71.58248	2.1
72.01714	2.3
72.99306	26.9
73.02956	1.3
75.00871	2.4
78.95910	4.0
83.01363	2.0
83.01888	1.1
83.71899	1.1
85.02953	4.6
86.67085	1.1
87.00877	26.1
88.98807	1.5
89.02448	14.3
92.03156	1.1
93.03460	14.3
96.96024	2.5
96.96987	5.0
96.99299	1.5
101.02451	6.8
101.06089	3.4
106.73138	1.4
108.02180	2.5
109.02990	1.3
113.02440	6.6
115.00379	32.0
117.03463	3.7
119.03590	2.6
119.05037	41.7
120.05370	1.1
121.02931	1.4
123.04549	2.2
129.01944	8.2
131.03584	1.5
131.05009	3.5
132.05809	1.7
133.01425	3.4
133.06622	1.6
134.03766	1.7
135.03018	1.6
135.04524	3.2
143.05048	3.8
145.02954	14.9
145.06595	4.6
146.03300	4.1
147.03000	95.4
147.06619	17.5
148.03363	2.7
159.04532	4.8
159.66113	1.1
161.02409	2.9
161.04587	1.4
163.04025	20.0
171.04492	2.6
177.05536	9.0
179.05663	5.8
191.05583	2.2
210.06857	10.5
211.07643	42.0
212.08028	4.3
215.03596	1.2
219.07979	1.5
223.07591	3.9
235.07634	3.8
236.08530	1.5
237.09195	38.8
238.09645	4.7
239.10793	14.1
240.10995	1.5
250.06558	1.3
253.08638	5.1
263.06778	2.7
264.07889	3.3
265.08655	10.8
267.08765	1.9
283.09784	1.6
308.07053	1.2
327.09332	1.4
341.10886	28.7
342.11432	1.3
371.05588	2.1
373.12881	2.6
454.87463	1.1
489.14011	100.0
490.14334	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	489.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54560	0.6
52.93467	0.7
58.48910	0.7
59.01376	15.5
59.49204	0.7
61.98834	6.5
69.59422	5.0
69.92284	0.7
71.01382	14.9
72.99301	1.3
73.02956	2.2
75.00908	0.9
75.95107	0.8
83.01409	1.4
83.05045	0.7
85.02972	3.6
87.00896	2.2
89.02448	8.4
90.65667	0.7
93.03467	15.6
93.04010	1.2
95.01421	1.3
97.02963	1.1
98.19880	1.6
99.00922	0.9
101.02453	6.2
106.95208	0.7
109.02969	2.3
113.02472	3.6
115.00410	1.3
116.92837	0.8
117.03479	11.5
119.03568	2.9
119.05039	86.9
120.05359	3.9
120.38127	0.7
121.02990	3.6
123.04568	2.5
125.02483	1.0
131.03505	1.1
131.05034	1.3
132.05881	3.6
133.02992	2.8
133.06636	2.6
134.03806	3.6
135.04543	2.6
136.04048	0.8
137.02454	3.1
137.05986	0.7
143.03545	0.8
145.02968	49.7
145.06589	3.2
146.03310	2.8
147.04558	1.2
149.02457	1.2
149.06116	1.3
151.04070	1.8
160.01701	4.7
161.02470	8.2
161.04758	0.9
161.06071	5.1
162.03236	1.2
163.04024	61.5
163.06212	1.6
164.04395	3.0
165.01904	1.7
165.05618	1.1
173.04587	1.0
175.04012	6.3
176.04662	0.9
177.01958	1.5
177.05577	15.2
179.03482	1.7
179.05656	0.9
181.07133	2.4
187.04118	0.8
191.03554	1.4
191.05583	1.5
192.28714	0.7
193.05043	4.4
194.05470	0.9
195.04884	0.9
203.07242	0.8
205.05107	5.6
210.06851	15.0
211.07646	96.1
212.07953	7.1
223.07788	0.7
235.06097	2.4
237.09204	5.8
238.09695	0.9
239.10770	18.8
240.11078	1.2
253.08734	1.3
265.07031	3.6
281.07526	0.8
283.09723	6.4
289.07111	2.2
323.07693	1.5
327.05353	0.9
327.08884	3.1
345.52356	0.8
370.43631	0.7
373.12698	3.3
417.14081	1.8
427.10367	1.1
432.60056	0.7
471.09259	4.8
472.10208	0.8
489.14716	100.0
490.14835	16.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
57.03447	2.2
58.00588	0.5
59.01379	81.9
60.01716	0.9
61.10392	0.3
61.98829	10.2
65.00322	0.7
69.03461	0.8
71.01382	10.8
71.05022	1.3
72.99323	1.1
73.02949	4.4
75.00889	1.3
79.27584	0.4
81.03490	0.5
83.01384	2.1
83.05038	1.6
85.02959	6.2
87.00909	0.8
87.04514	0.7
89.02458	3.3
93.03468	2.0
95.01392	0.9
95.05046	0.6
97.02985	0.7
99.00879	1.7
99.04527	0.8
101.02448	6.6
101.06106	3.0
107.01402	1.0
107.05036	3.1
109.02969	0.8
109.06609	0.5
111.00890	0.5
111.04572	0.5
113.02467	5.0
117.03515	0.8
118.98109	1.0
119.03535	1.0
119.05063	1.7
120.99693	0.6
121.02920	0.6
124.01658	0.4
125.02470	1.9
127.04059	0.4
132.02171	2.5
133.02982	1.9
134.03778	2.8
135.04539	1.3
135.08124	0.5
137.02452	1.7
137.09767	1.9
139.11310	22.0
140.11650	0.7
145.02962	3.4
145.05084	0.5
146.03267	0.4
149.02448	0.5
149.06047	0.7
149.99687	0.5
151.00406	2.4
151.04068	0.8
153.01978	3.1
153.09229	0.8
154.04254	0.4
155.10796	9.9
159.03195	0.4
159.04549	0.4
160.01678	11.8
161.02466	3.7
161.04576	3.0
161.05927	0.6
161.09598	0.4
162.02771	0.8
163.00366	0.8
163.04036	1.4
163.11292	1.4
165.09236	1.0
167.10808	0.7
168.00642	1.1
169.01289	0.7
171.04500	0.4
174.03300	0.4
175.04016	14.2
175.05534	0.7
176.04431	0.7
177.01938	0.6
177.04109	0.5
177.05525	0.6
179.03505	1.0
179.10793	1.0
180.03902	0.6
181.01520	0.8
181.08719	0.4
181.12363	8.4
183.04509	1.6
183.10271	26.5
184.10582	0.8
185.06111	0.5
187.04016	0.8
193.05000	1.7
199.03935	0.4
199.09801	4.0
199.13373	0.5
205.05005	0.4
211.04028	2.1
211.09673	0.5
225.11317	5.2
226.06389	0.8
226.11713	0.6
227.03496	73.0
228.03831	5.9
229.05077	1.8
239.03564	0.5
241.04942	0.7
241.08702	1.1
241.10922	1.2
243.12343	2.0
249.06252	0.4
255.02971	91.7
256.03552	12.8
257.04431	1.1
263.11426	1.0
267.15930	3.9
283.09848	1.2
284.03256	63.3
285.03949	26.2
286.04449	1.9
301.03439	0.4
325.08084	0.5
327.05109	1.3
337.09305	3.6
343.10098	0.4
391.92609	0.4
417.25046	0.8
429.21469	0.7
445.14987	5.9
445.20828	1.4
446.15161	0.8
457.11560	0.9
469.36478	0.4
471.22476	4.6
472.22675	1.0
488.18701	0.5
489.10388	100.0
489.23544	97.5
489.38107	1.0
490.10721	14.2
490.23825	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	489.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
58.00599	1.2
58.87449	1.0
59.01375	32.0
61.98822	3.1
69.37158	5.3
69.37595	3.6
69.43737	0.9
71.01385	28.8
72.99313	2.7
73.02951	4.3
75.00880	3.7
78.95941	1.1
83.01388	2.0
85.02960	7.3
87.00887	14.0
89.02454	20.7
93.03474	7.1
95.01376	1.8
96.96004	1.5
96.96985	2.2
96.99326	1.6
99.00881	11.9
101.02464	22.7
105.01943	39.1
109.02985	1.5
113.02469	10.9
115.00376	1.5
116.92774	0.9
117.03474	21.9
118.03748	0.9
119.03553	10.8
119.05035	36.2
120.05344	2.0
121.02988	2.2
123.04562	1.0
129.01990	1.4
131.03523	3.4
131.05011	2.2
132.53116	0.9
133.02971	8.4
133.06593	2.2
134.03755	1.9
135.04533	26.7
137.02448	3.5
143.03528	1.4
143.04993	1.5
143.39133	0.9
145.02971	100.0
146.03304	7.0
147.03014	10.0
147.04588	1.4
148.05315	1.2
149.06087	3.5
160.01697	1.3
161.02461	44.5
161.04602	2.4
161.06056	8.2
162.02856	2.9
163.04025	50.6
163.06122	1.6
164.02274	1.0
164.04344	3.5
165.05556	2.4
171.04536	1.2
175.03952	2.3
177.05589	13.1
179.03522	25.0
179.05547	2.7
180.03938	1.1
181.07137	4.1
191.05527	1.0
193.04939	1.2
205.05067	10.5
210.06792	3.1
211.07655	14.0
212.08006	1.1
221.04552	8.9
223.07599	1.6
231.10263	2.9
235.06093	2.5
237.09258	10.4
238.09671	1.0
239.10789	4.7
251.05547	5.2
253.08694	1.0
265.06754	5.1
281.06619	7.3
289.07220	1.8
292.48196	1.0
297.08264	3.8
307.08087	1.6
309.07846	1.4
325.11548	1.7
327.09290	89.4
327.60843	1.0
328.09634	4.6
341.08655	4.7
343.12271	1.1
383.09830	9.2
417.14005	1.4
489.12723	86.9
490.13327	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	487.3426
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.92429	0.3
57.03442	3.2
59.01379	5.6
60.99300	0.9
61.98825	2.5
71.01398	0.4
71.05033	0.4
73.02927	1.7
83.05046	0.9
85.02959	0.8
88.83546	0.4
97.06579	0.4
99.04479	0.4
113.02509	0.4
121.02943	0.4
121.06586	0.5
128.93961	0.3
150.06891	0.4
229.89742	0.4
307.24271	0.5
311.20059	0.6
353.25009	0.6
365.24765	1.3
379.22574	0.4
381.24191	0.5
383.25980	1.3
391.25815	0.5
391.30481	0.7
391.67691	0.4
393.27365	0.8
393.32047	1.9
395.29596	1.4
405.31952	0.4
407.29587	0.8
409.23410	2.0
415.28586	1.3
421.31384	0.7
423.32944	1.4
425.30649	1.3
427.24777	15.1
428.25064	2.9
435.29126	3.4
436.29593	0.6
437.30856	12.2
438.31180	2.8
439.28455	13.2
440.28619	2.5
451.32285	1.5
455.31754	1.9
456.31860	0.6
457.33490	0.4
467.31693	13.5
468.31995	3.0
469.28629	2.5
469.33200	7.9
470.34317	1.7
487.27121	26.9
487.34232	100.0
488.27557	4.6
488.34558	18.0
513.32416	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	488.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62479	0.2
59.01382	2.2
60.01730	0.2
61.98829	100.0
64.50010	0.2
71.01385	2.4
73.02959	0.3
75.00870	0.3
78.95914	0.5
83.01394	0.3
85.02971	0.7
87.00903	0.5
88.98811	0.2
89.02457	1.9
90.02784	0.2
93.03485	0.9
96.96031	0.6
96.96977	0.5
97.02975	0.2
99.00894	0.2
101.02448	1.0
102.02757	0.1
113.02464	0.9
115.00336	0.2
116.92868	0.4
117.03480	3.0
118.03800	1.1
119.03568	0.5
119.05038	6.1
120.05375	1.8
121.02955	0.2
123.04522	0.2
125.02457	0.2
131.03471	0.2
131.05031	0.3
133.01453	0.4
133.03033	0.3
133.06602	0.2
134.07028	0.2
135.04564	0.8
137.02509	0.3
139.00401	0.6
145.02971	14.6
146.03305	6.9
147.03595	0.2
161.02406	1.1
161.04564	0.2
161.06107	0.6
162.06454	0.2
163.04034	6.7
164.04376	2.3
177.05589	0.7
179.03561	0.6
181.07271	0.3
182.99379	0.3
188.04378	0.2
191.05597	0.3
205.05075	0.8
206.05447	0.3
210.06882	0.3
211.07657	1.8
232.56071	0.2
235.06163	0.2
237.09390	1.1
239.10841	0.5
266.07410	0.2
289.07062	0.2
307.08398	0.2
325.09027	0.8
326.09515	1.7
327.09952	0.4
341.08679	0.3
343.10892	0.2
344.11755	0.2
371.09665	0.2
386.12677	0.4
412.26462	0.2
487.34488	0.3
488.15140	2.3
489.15253	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	488.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
59.01379	15.8
61.98829	100.0
62.82990	0.5
71.01380	5.8
71.56940	1.1
73.02962	1.4
75.00877	2.4
76.44314	0.6
83.01374	0.9
85.02955	3.5
85.45000	0.6
87.00899	1.5
88.53373	0.6
88.98812	0.9
89.02451	2.7
93.03491	1.7
94.98071	0.9
96.96053	0.9
97.16199	0.6
101.02461	3.8
101.06094	0.6
103.00401	1.1
108.02200	0.8
109.02991	1.2
113.02470	2.3
117.03469	1.4
119.03576	0.7
119.05037	1.7
121.02979	1.9
123.04530	1.1
123.71875	0.6
125.02428	0.9
129.01959	0.9
133.02974	17.2
134.03694	1.3
135.04543	6.7
137.02454	1.8
143.03564	0.6
145.02971	2.5
151.04016	1.2
152.01158	0.6
160.01683	0.8
161.02458	79.4
162.02875	4.1
163.04034	2.0
175.03975	0.9
177.04033	1.3
178.99878	0.7
179.03549	3.3
179.05710	0.6
191.05594	0.9
195.05034	0.7
205.04916	0.6
211.07619	1.1
212.08076	1.0
219.59288	0.6
239.11124	1.1
267.07480	0.5
289.07034	0.7
312.10379	0.7
425.14520	77.5
426.14871	9.3
428.09827	0.7
488.14047	2.0
489.16309	0.7
508.39822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.5
60.38800	0.4
65.00317	0.6
70.95271	0.8
83.01405	0.4
107.01388	1.5
108.02184	0.8
109.02947	1.4
114.19106	0.4
121.02963	1.6
124.01614	0.3
125.02440	0.5
135.00858	0.6
147.46227	0.4
147.60966	0.3
148.01712	0.6
151.00381	9.2
163.00403	2.2
164.01068	0.5
178.99873	7.2
190.99947	0.5
199.04021	0.5
211.03929	1.3
226.02800	0.9
227.03447	2.2
229.05090	0.6
239.23930	0.4
243.02977	4.6
244.03583	0.6
245.04517	1.4
254.02156	1.4
255.02965	16.8
256.03378	1.9
258.68073	0.4
271.02457	31.2
272.02893	3.5
273.03964	2.3
283.02429	1.6
299.01996	1.2
300.02750	100.0
301.03464	52.2
302.03812	3.6
429.08585	0.6
447.09503	2.4
489.10364	68.7
490.10672	9.9
490.17242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1037
Annotation	Isoorientin 6''-O-acetate
Peak:m/z	Relative Intensity
50.68661	0.3
59.01382	7.1
61.98828	5.6
65.00038	0.3
65.00306	1.5
65.03961	1.2
67.01895	0.8
69.03458	0.3
69.35247	0.8
69.35660	2.2
71.01390	3.6
72.99323	0.6
73.02933	0.6
75.00883	0.7
83.01373	0.4
85.02960	1.6
87.00850	0.4
88.98820	0.8
89.02456	1.4
91.01904	86.7
92.02229	2.8
93.03471	1.5
95.01398	0.4
99.00883	0.8
101.02480	1.5
103.21848	0.3
107.01412	1.1
109.02967	5.0
113.02454	1.8
115.05574	0.4
117.03477	0.6
119.01381	0.3
119.03578	0.3
119.05044	1.9
121.02986	1.7
123.04544	0.8
125.02458	0.6
131.05054	1.3
133.06607	0.9
135.00902	32.4
135.04492	0.5
136.01251	1.2
137.02449	1.1
145.02979	2.9
145.06575	0.5
147.04538	5.7
148.01645	0.3
148.04883	0.5
149.02446	1.8
151.00328	1.7
151.03990	1.3
153.01955	26.2
154.02316	0.8
160.01648	0.7
161.02515	0.4
161.04625	0.8
161.06100	8.0
162.06458	0.4
163.00397	0.8
163.04008	1.1
166.02383	0.3
167.03481	0.5
173.04564	1.2
175.04024	1.1
177.01945	0.6
178.99873	100.0
180.00211	3.9
180.01677	0.4
183.13992	0.3
189.05617	1.1
191.05632	0.6
193.05159	0.4
195.03035	0.3
197.00920	10.6
197.02737	0.5
198.01309	0.6
221.00902	1.6
227.03502	0.3
227.12946	0.3
239.01917	0.5
243.02972	0.6
255.02849	1.4
267.16064	0.4
271.02463	3.5
271.06113	2.4
272.02844	0.3
272.06470	0.6
300.02783	5.7
301.03485	2.8
302.03699	0.4
323.04135	1.2
341.05151	1.1
401.32281	0.3
429.22772	0.6
430.24207	0.4
453.21027	0.5
471.09311	3.0
472.10010	0.3
489.10373	80.8
489.24582	2.3
489.31897	2.0
490.10715	11.6
490.17825	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23650	0.2
59.01370	1.9
61.98824	0.9
63.02391	0.5
65.00311	0.9
69.43147	2.2
71.01379	0.8
83.01390	0.7
88.47256	0.3
88.91667	0.2
89.02438	0.5
91.01897	0.4
93.03458	0.4
101.02448	0.6
107.01413	1.5
108.02187	1.6
109.02956	0.8
121.02960	1.2
125.02429	0.4
133.02980	0.3
135.00883	0.7
135.04543	0.3
137.02405	0.3
145.03012	0.8
146.40833	0.2
148.01677	1.8
151.00377	5.7
153.01981	0.3
155.10863	0.6
161.02515	0.4
163.00369	1.7
163.04074	0.3
164.01158	0.8
169.01443	0.2
175.04033	0.5
178.99886	3.8
179.75681	0.2
181.12303	0.6
183.04564	0.5
187.03975	0.4
189.02036	0.2
198.03117	0.3
199.04005	0.7
201.02083	0.3
203.03529	0.3
211.03986	0.9
215.03488	0.7
216.04315	0.6
225.11208	0.3
226.02690	1.5
227.03490	2.9
228.03998	0.4
229.01057	0.3
229.05067	0.5
240.03998	0.3
243.02986	10.4
244.03462	1.0
245.04504	0.7
254.02213	2.0
255.02980	26.6
256.03357	2.3
271.02451	57.3
272.02866	5.7
273.03873	0.4
283.02286	0.5
299.02017	1.1
300.02747	100.0
301.03378	24.7
302.03928	1.5
429.08322	1.6
447.09167	0.7
489.10352	59.5
490.10693	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	487.3428
Annotation	Yardenone
Peak:m/z	Relative Intensity
57.03437	0.5
58.00592	0.5
59.01376	3.1
60.99293	0.6
61.98827	2.9
64.34875	0.2
69.03447	0.6
69.94649	0.3
71.01363	0.6
71.04514	0.4
71.04990	0.6
72.99336	0.3
73.02930	0.7
75.00881	0.4
78.95873	0.3
83.05021	1.3
85.02956	0.6
87.04519	0.3
88.98833	0.5
89.02430	0.3
97.06605	0.7
98.03738	0.6
101.02432	0.3
101.43793	0.3
109.06612	0.3
111.02998	0.2
116.92857	0.3
161.02405	0.3
177.03989	0.3
184.00920	0.3
230.05882	0.5
242.05745	0.3
242.99532	0.2
273.18530	0.4
281.87109	0.3
340.23123	0.3
367.26447	0.4
377.28622	0.6
391.30042	0.6
393.27472	0.3
393.32111	0.7
395.29449	0.8
397.31250	0.3
405.31537	0.7
407.33206	1.0
409.22949	0.3
409.31073	1.2
415.32062	0.5
423.32953	2.8
424.33020	0.5
425.30103	1.7
427.24823	3.5
427.32077	1.2
428.25131	0.6
439.32571	0.6
441.33728	1.4
442.34164	0.3
443.35846	1.5
457.29321	0.4
467.31665	0.5
469.28397	3.4
469.33914	1.0
470.29541	0.4
473.12161	0.6
487.34637	100.0
488.14853	1.1
488.34952	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80087	0.5
60.99310	1.2
61.98835	1.0
71.05027	0.9
71.35320	1.0
78.43042	0.5
81.03449	0.7
85.06549	0.6
94.03741	0.6
97.06592	3.2
169.72742	0.5
170.10329	0.5
189.12758	0.6
191.14467	1.2
244.20839	0.6
289.21674	0.8
375.26828	0.6
389.28763	1.5
391.30511	2.5
393.27878	1.6
405.31586	5.2
406.31827	0.9
407.28702	0.9
407.33380	10.7
408.33459	2.9
409.31079	1.6
423.32843	2.6
424.33450	0.6
425.34113	1.2
441.33688	13.2
442.34122	3.0
443.34894	1.0
449.30725	2.0
451.32144	18.0
452.32278	2.6
453.33719	100.0
454.34067	19.5
459.34494	0.9
467.31577	4.2
468.32040	0.8
469.33459	3.2
470.33289	0.7
471.34921	0.8
472.35312	0.7
485.32596	1.6
487.34372	32.7
488.34485	7.7
497.32660	1.7
513.32007	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	487.343
Annotation	Ganoderiol D
Peak:m/z	Relative Intensity
52.13130	0.5
54.49452	0.5
57.03317	1.0
57.03587	1.1
58.11692	0.5
59.01264	0.7
59.01497	0.7
60.99190	0.7
60.99478	0.5
61.98673	0.8
61.98984	1.0
69.35521	5.4
72.65394	0.5
83.04880	0.9
83.05331	0.6
86.94434	0.5
94.78090	0.5
109.03158	0.5
109.03905	0.4
111.63712	0.4
152.99390	0.7
200.36671	0.5
303.19635	3.5
329.21188	3.7
371.25745	1.9
385.27325	1.4
393.31564	3.8
394.31989	0.6
407.29291	0.7
409.31268	2.9
427.28497	1.3
437.30609	6.0
438.30835	0.8
441.34094	0.6
453.33664	2.2
455.31644	62.4
456.32013	11.4
469.33530	1.1
470.33829	0.7
487.34302	100.0
488.34698	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	487.343
Annotation	2-Epitormentic acid
Peak:m/z	Relative Intensity
51.51995	0.8
51.82878	1.0
59.01368	3.6
59.98520	1.6
60.99015	1.5
60.99303	9.8
61.98828	4.0
71.05028	1.2
81.03484	2.0
83.05034	1.0
85.06620	1.2
95.05027	1.0
97.06612	12.4
110.12235	1.3
129.61920	1.0
137.09775	1.0
190.97569	1.0
191.14444	1.0
223.69489	0.9
229.66156	1.2
235.17073	1.7
247.17157	1.4
289.21579	2.3
373.25089	1.3
375.26541	1.1
389.28342	2.2
391.25903	1.4
391.30270	1.7
392.30536	1.1
393.28268	2.6
403.30014	1.7
405.00711	0.9
405.31851	12.2
406.31946	2.8
407.33493	23.1
408.33713	5.2
409.31287	3.6
410.31271	1.4
421.31134	1.9
423.32721	12.3
424.32968	2.0
425.34378	5.0
437.30701	2.1
439.32257	1.4
441.33771	22.3
442.34183	5.2
443.35043	2.7
449.30600	1.6
451.32126	9.1
453.33569	28.8
454.34161	6.2
455.34500	21.3
456.35199	1.4
467.31714	32.9
468.31976	5.8
469.33145	10.4
470.33655	1.3
485.32285	4.4
487.14294	2.9
487.34305	100.0
488.34787	19.0
499.33051	1.5
513.32196	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	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01379	5.1
60.99306	0.5
61.98829	0.4
66.11289	0.2
68.16526	0.2
70.58624	0.2
71.05015	0.3
73.02941	1.1
77.22794	0.2
83.05016	0.3
85.09261	0.2
85.39914	0.3
93.11899	0.3
94.39355	0.2
98.19862	0.5
124.01637	0.3
127.00396	0.2
158.51259	0.3
177.03787	0.2
215.23328	0.2
227.41441	0.3
311.23886	0.4
327.26965	0.2
365.28445	2.0
366.28998	0.5
381.28116	0.6
383.29504	0.5
409.27390	2.6
410.27780	0.8
421.31213	1.0
425.34293	0.3
427.28543	17.8
428.28943	3.1
443.35318	5.1
444.35709	0.8
451.31921	0.4
469.32965	0.6
487.34872	100.0
488.35248	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	487.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01380	4.1
60.99306	1.8
61.98819	1.2
69.46697	1.4
69.47132	1.4
71.05029	1.5
72.99313	3.2
73.02953	1.1
81.03429	0.3
83.05048	0.6
85.06596	0.6
86.55900	0.3
97.06596	1.8
144.15913	0.3
164.73451	0.3
171.43591	0.3
174.15987	0.3
187.74025	0.3
191.14462	0.8
357.28046	0.4
365.28555	1.2
375.27060	0.3
381.28015	0.8
387.28925	0.8
389.28232	1.2
391.30081	2.2
392.30096	0.4
393.31674	0.5
395.29498	0.9
397.31113	0.5
405.31650	4.2
406.31851	1.1
407.33380	4.3
408.33618	0.6
409.27319	1.0
409.31223	1.1
411.32776	0.5
413.34204	1.1
421.31244	0.6
423.32983	2.4
424.33264	0.4
425.34497	4.6
426.34756	0.7
427.28165	7.9
427.33716	0.5
428.28510	1.4
433.11981	0.3
434.14655	0.3
437.30725	1.9
439.32242	2.0
440.32272	0.4
441.33743	9.0
442.34225	1.6
443.30988	0.6
451.32141	7.3
452.32504	1.5
453.33740	39.3
454.34082	7.3
457.29376	0.8
458.29916	0.3
467.31757	0.7
469.33304	11.7
470.33591	2.4
485.32947	0.5
487.34708	100.0
488.35092	19.1
497.32684	1.1
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
59.01385	0.2
67.37775	0.1
69.33125	0.8
69.33533	0.2
93.87634	0.1
114.87665	0.1
159.10548	0.1
299.64664	0.1
365.28500	0.2
389.28552	0.1
391.30048	0.3
421.31366	0.2
427.28168	0.5
469.33093	0.2
487.34259	100.0
488.34637	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	487.3428
Annotation	Rubianol a
Peak:m/z	Relative Intensity
57.03443	0.3
58.31987	0.1
59.01375	0.5
59.98521	0.5
60.99304	1.6
61.98829	0.4
66.61777	0.1
69.03468	0.2
69.33370	1.5
71.05036	0.8
73.02957	0.5
76.98811	0.3
80.02679	0.2
83.05052	0.5
91.82908	0.1
95.05061	0.2
95.50897	0.1
98.03752	0.2
108.11424	0.2
109.06635	0.4
113.86136	0.2
137.09843	0.2
166.87776	0.1
183.36580	0.1
224.53287	0.2
263.20142	0.3
363.26993	0.2
365.28574	0.8
379.30307	0.2
381.28162	0.3
383.29678	1.1
384.30048	0.2
393.27783	0.2
395.29700	0.3
399.28812	0.2
405.31757	0.5
407.33249	4.1
408.33722	0.9
409.27393	0.3
409.35040	0.6
421.31387	0.3
423.33179	1.8
424.33029	0.3
425.34875	1.6
427.28821	0.7
427.36017	0.4
428.29056	0.3
435.30325	0.2
439.31683	0.3
441.33832	1.5
442.34171	0.3
443.30957	0.3
443.36035	0.5
449.30829	0.5
451.32498	0.2
453.33765	2.1
454.34296	0.4
455.31906	0.6
456.32272	0.8
457.32315	9.7
458.32697	0.9
467.31784	1.0
469.33301	10.5
470.33722	1.8
471.34308	0.2
485.32816	0.3
487.34274	100.0
488.34720	17.3
513.32288	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Arjunic acid
Peak:m/z	Relative Intensity
59.01370	4.5
60.26181	1.0
60.99303	16.4
61.98844	5.9
70.97347	2.2
71.05019	0.9
75.83192	0.9
97.06596	5.4
102.27753	0.9
111.08147	4.3
132.87903	1.1
137.09746	1.4
149.52795	1.0
168.47786	0.9
189.12842	2.0
190.97464	0.9
205.16006	1.0
235.18074	1.1
311.23654	2.4
355.26508	1.5
373.25275	3.6
375.26892	1.4
389.28464	6.2
391.25723	2.0
391.30402	9.1
392.30316	1.9
393.28058	3.6
405.31763	8.9
406.32059	2.5
407.33423	22.4
408.33331	4.1
409.31067	5.6
419.29947	1.1
423.32733	46.3
424.33209	7.2
425.34253	32.3
426.34756	3.9
427.28232	6.7
427.36203	1.2
437.30573	2.1
439.32062	7.3
441.33762	10.1
442.34171	1.8
443.35495	8.0
451.31946	2.0
453.33575	1.8
457.33408	1.1
467.31201	1.6
469.33194	22.7
470.33463	4.1
487.34604	100.0
488.35007	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
58.67823	0.2
59.01376	3.2
60.99293	1.5
61.98824	0.5
69.49062	0.8
69.49499	1.1
71.05022	0.5
73.02972	0.6
83.05064	0.7
91.46510	0.2
98.20717	0.3
109.06630	0.6
189.13141	0.2
222.92027	0.2
341.25125	0.3
357.28104	0.3
363.27060	0.3
365.28448	1.2
366.29102	0.3
377.24936	0.3
381.28061	0.6
383.29745	0.6
391.30298	0.6
395.29947	0.4
396.30106	0.3
405.31915	0.9
407.33530	0.4
409.27371	1.8
421.31226	0.5
423.20508	0.2
423.32785	1.4
425.34708	0.6
427.28497	9.7
428.28995	1.6
439.32599	0.7
441.33630	2.5
442.34329	0.4
443.35236	2.1
444.35818	0.6
469.33221	7.4
469.39618	0.4
470.33527	1.4
487.34576	100.0
488.34918	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	487.3061
Annotation	Chabrolohydroxybenzoquinone G
Peak:m/z	Relative Intensity
55.01870	0.5
55.37108	0.4
57.03439	0.7
59.01379	17.9
60.99305	1.6
65.17104	0.4
70.17258	1.5
70.17670	0.9
71.05028	0.5
73.02952	3.5
81.94327	0.4
85.05465	0.4
92.55108	0.4
98.20567	0.5
112.26508	0.4
128.56024	0.4
204.65465	0.4
241.06502	0.4
248.61937	0.4
250.66966	0.4
311.23843	0.9
327.26935	1.5
341.24985	0.5
343.97995	0.4
353.24988	0.7
363.27017	0.9
365.24182	0.6
365.28445	7.3
366.28833	1.0
379.26517	1.0
380.26526	0.7
381.27890	2.3
382.28296	0.6
383.29480	0.8
399.28986	0.6
409.22433	0.8
409.27496	10.2
410.27698	2.0
427.28522	62.1
428.28796	9.7
451.23517	0.5
469.32922	0.8
487.30362	100.0
488.30774	20.1
513.71136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31953	0.3
71.32287	0.2
101.74870	0.2
102.83172	0.1
182.04524	0.1
353.57053	0.2
391.29855	0.2
409.30933	0.3
421.30862	0.2
487.34250	100.0
488.34586	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.5
59.75903	0.2
60.99305	0.9
69.33388	1.7
69.33770	0.3
71.05012	0.4
73.02935	0.3
83.05031	1.3
94.37277	0.1
102.43130	0.2
109.06633	0.4
128.38490	0.2
151.12964	0.2
159.44911	0.1
383.29510	0.3
391.30096	0.5
395.29361	0.2
397.31082	0.2
407.29489	0.6
409.31235	1.5
410.31561	0.3
423.32608	0.7
425.30597	0.6
441.33484	0.4
442.33292	0.2
443.34906	0.3
452.29877	0.2
453.30234	0.2
469.33221	7.5
470.33487	1.5
487.34268	100.0
488.34601	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	487.3064
Annotation	Chabrolohydroxybenzoquinone G
Peak:m/z	Relative Intensity
57.03446	1.2
59.01378	15.5
60.99302	1.7
61.98823	1.0
66.30742	0.4
69.31066	2.0
69.31490	2.3
73.02948	2.9
83.05051	0.5
88.00912	0.4
113.74042	0.4
202.26863	0.4
311.23709	1.3
327.26901	1.8
363.27127	0.7
365.28494	7.1
366.29071	1.0
379.26477	1.3
381.27701	2.3
382.28427	0.5
383.29489	0.6
395.29581	1.5
409.27417	7.8
410.27713	1.8
413.30664	1.6
414.30777	0.6
421.31320	0.8
423.31848	0.8
425.30664	1.3
427.28543	54.9
428.28854	9.4
439.28662	0.6
441.33688	0.6
443.30777	1.3
443.35440	2.3
457.29501	5.3
458.29752	1.2
469.32852	1.5
485.32550	0.7
487.30783	58.2
487.34277	100.0
488.30728	11.4
488.34650	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	487.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.0
59.01369	5.6
61.22306	0.4
61.73969	0.4
61.98822	3.8
69.03491	0.8
69.78163	0.4
71.01372	1.8
73.02947	3.2
75.00882	0.4
77.27863	0.5
78.95876	0.5
83.05033	0.8
85.02977	1.0
100.67010	0.5
121.06629	0.8
129.67464	0.6
145.02917	0.5
150.46280	0.5
177.04050	0.5
181.12326	0.5
218.61368	0.6
229.44945	0.6
230.05702	0.5
235.72075	0.5
307.24332	2.3
333.25967	0.5
335.23996	0.5
339.23230	0.7
349.25351	1.3
358.23019	1.0
359.23630	1.1
365.24603	1.1
375.26974	3.4
377.28732	1.1
383.25870	0.6
389.19391	0.5
391.26331	2.3
393.27335	0.6
393.31659	1.9
395.25595	0.5
407.29102	0.7
408.30316	0.6
409.27243	0.9
421.41391	0.5
423.32904	2.9
424.32932	0.9
425.34592	2.3
427.24640	5.3
428.25305	0.7
437.26791	0.8
469.29224	2.9
469.33685	2.4
487.30701	100.0
488.15686	0.9
488.30441	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	487.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01378	1.8
61.98832	0.8
71.01385	0.7
71.05034	0.2
71.30001	0.3
72.99299	0.1
73.02946	0.9
76.10998	0.1
78.95911	0.7
83.05009	0.3
84.02171	0.2
85.02940	0.3
87.04504	0.4
97.06599	0.2
107.15305	0.1
109.06586	0.1
114.03210	0.2
119.05074	0.2
123.08180	0.2
163.11185	0.1
171.00644	0.2
299.01959	0.2
307.24332	1.8
308.24780	0.3
333.25793	0.2
335.23907	0.3
347.23474	0.2
349.25330	1.3
350.25876	0.2
351.27133	0.1
358.22580	0.2
359.23730	0.5
360.24020	0.2
361.25464	0.3
363.26871	0.2
365.24734	0.2
373.25137	0.3
375.27032	0.7
379.26453	0.7
384.17010	0.2
391.26401	3.5
392.27087	0.6
393.27670	0.2
403.26096	0.2
405.23776	0.2
409.27454	0.5
421.27338	0.5
427.24652	0.9
428.25458	0.2
439.28668	0.2
441.30029	3.2
442.30508	0.6
469.29224	0.3
487.30573	100.0
488.30908	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.27
Annotation	11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B
Peak:m/z	Relative Intensity
57.03445	0.7
59.01376	15.9
60.99290	1.0
61.98836	2.5
71.01381	1.8
71.05008	1.1
73.02942	2.6
75.00872	0.7
78.95918	0.5
83.01408	0.4
83.05031	0.4
85.02949	0.4
87.00903	0.4
89.02454	1.0
97.06602	0.4
98.19888	0.6
99.04535	0.5
101.02450	0.4
102.18619	0.3
106.47668	0.3
109.06638	0.4
110.13695	0.3
113.02430	0.5
116.88097	0.3
119.03522	0.6
139.04016	0.4
192.64418	0.3
271.06262	0.4
290.62006	0.4
311.20230	0.6
327.23285	1.7
337.25299	0.5
339.23370	2.8
347.20059	0.4
353.21274	1.7
365.20911	0.3
365.24811	5.6
366.25101	0.7
379.22745	1.1
381.24326	3.1
383.25754	2.2
409.23593	7.2
410.24106	1.1
421.31561	0.5
421.92307	0.4
423.28418	0.7
423.33133	0.7
425.30646	2.1
426.30606	0.4
427.24857	62.2
428.25195	9.8
428.31165	0.4
437.30606	1.6
439.32611	1.6
445.26157	0.4
449.30484	1.3
453.30051	0.5
455.31607	12.1
456.31958	2.0
467.31647	9.0
468.32275	1.6
469.33643	0.5
485.32471	0.9
487.26968	100.0
487.34216	65.8
488.27307	17.3
488.34531	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	487.2702
Annotation	11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B
Peak:m/z	Relative Intensity
50.15960	0.9
52.75732	0.8
54.07716	0.8
54.15170	3.2
55.01873	1.1
57.03452	2.7
59.01379	25.1
60.99302	1.9
61.98838	12.0
69.03462	1.2
71.01361	1.4
71.05030	2.6
73.02945	6.9
74.79865	1.0
75.00882	0.9
78.95926	2.7
82.03290	0.9
83.05030	1.7
85.02950	1.2
87.04520	1.1
96.96918	1.0
97.06591	0.9
98.20712	1.8
109.06625	1.6
138.97134	1.0
139.30659	0.9
242.66968	0.9
291.19763	1.9
299.01852	1.1
307.24228	1.3
311.20099	1.1
327.23315	3.4
339.23294	1.6
349.21677	3.0
351.26813	1.7
363.23157	1.1
365.24857	5.3
366.25549	1.2
379.22647	1.2
381.24347	2.5
393.27808	1.7
395.29706	2.1
409.23831	9.7
410.23993	1.7
411.29236	1.5
415.27151	1.6
427.24854	76.6
428.25110	10.6
439.28305	4.3
443.27765	2.9
469.28967	2.0
487.27112	100.0
487.33829	21.9
488.27515	19.6
488.34497	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	487.2702
Annotation	11alpha-O-tigloyl-12beta-O-Acetyltenacigenin B
Peak:m/z	Relative Intensity
55.01849	0.5
57.03448	2.5
59.01378	19.6
60.99290	1.7
61.98822	2.4
71.01376	0.8
71.05030	0.9
71.59191	0.8
72.99292	0.5
73.02947	4.7
78.95934	0.5
80.72682	0.4
83.05032	1.9
84.85854	0.5
85.02957	2.4
87.04511	0.6
97.06583	0.5
109.06581	0.9
111.10384	0.5
123.08189	0.7
139.07562	0.5
200.44614	0.5
279.17490	0.9
295.20602	0.8
297.18457	0.6
305.21118	1.3
307.24353	1.3
311.20172	1.6
327.23291	1.4
343.69174	0.5
347.23752	0.7
349.21680	1.3
351.19479	0.6
365.24780	3.8
366.25027	0.6
379.22778	1.2
381.24225	2.0
383.25919	2.1
389.24515	0.7
389.28888	0.6
391.30411	0.7
393.31683	1.5
395.29681	1.1
405.31870	0.5
407.29446	1.3
409.23666	9.3
410.24155	1.9
421.31427	0.7
423.33316	0.7
425.31009	2.3
427.24854	61.2
428.25201	9.1
435.29276	3.3
437.30746	11.6
438.31094	2.2
439.28174	6.9
449.30386	1.1
455.31638	8.3
456.32001	1.6
457.29266	0.8
467.31604	13.6
468.31885	3.4
469.28683	2.2
469.33319	4.5
470.33728	0.7
485.32623	0.7
487.27106	100.0
487.34091	78.5
488.27438	18.5
488.34402	13.9
513.31982	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.4
69.93734	0.6
69.94147	0.5
71.01385	4.9
72.99324	0.3
83.01366	0.3
85.02958	0.6
87.00884	0.4
89.02448	5.9
95.01438	0.3
101.02453	2.3
113.02463	1.9
117.03481	19.3
118.03824	0.7
119.03540	2.1
119.05028	3.1
128.63986	0.2
133.01427	0.2
143.03520	0.3
145.02969	100.0
146.03307	5.1
155.71812	0.2
163.04031	6.8
179.05603	1.1
195.28947	0.2
217.05212	0.3
221.54045	0.2
235.05957	0.2
307.08240	2.2
341.10837	2.8
487.14594	14.9
488.14835	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1954
Annotation	Terretonin
Peak:m/z	Relative Intensity
53.59585	0.5
54.79881	0.5
57.03439	1.3
59.01376	11.0
61.98829	36.8
69.03474	0.8
71.01382	6.0
71.05002	0.7
71.59638	0.8
72.99314	1.2
73.02956	1.6
74.99104	2.5
75.00872	1.6
75.28542	0.5
78.95904	22.6
80.02682	1.9
81.03472	2.4
83.01400	1.5
83.05023	6.8
84.02162	1.7
85.02950	1.7
85.06544	0.5
87.00882	1.2
88.98825	1.5
89.02454	2.3
93.03487	2.6
95.01382	0.6
95.05025	1.2
96.96024	1.1
96.96974	3.2
97.02994	0.7
97.06634	0.8
99.00876	0.8
101.02439	3.4
109.02975	1.1
109.06577	0.7
111.04559	0.5
113.02438	3.0
116.92885	1.0
117.03494	0.8
119.03501	1.3
119.05022	1.6
121.02984	2.3
123.04566	0.8
124.01662	1.0
125.02470	3.7
125.06094	1.0
125.09749	0.5
126.02818	0.8
131.03575	0.6
133.02974	0.7
135.04568	1.6
135.08189	1.8
137.02457	5.3
145.02968	2.3
147.04532	1.7
149.02426	0.7
149.99562	0.8
151.00317	1.7
151.03995	0.6
152.01152	0.9
152.99599	34.1
153.99904	0.6
160.01619	1.1
161.02454	1.9
161.04617	0.9
163.04028	1.1
163.11307	7.2
165.02048	0.9
165.12857	2.8
167.03542	2.6
168.00696	2.4
169.01222	0.9
170.01125	0.7
171.00717	3.4
173.04556	0.8
175.04010	1.8
179.03450	1.0
179.05649	0.7
179.10765	1.0
181.12346	0.6
190.02672	0.8
191.05569	0.9
191.10844	1.5
203.10799	0.6
205.05038	1.0
207.06683	0.7
209.11830	100.0
210.12195	7.0
223.09785	0.5
227.03261	3.1
227.12878	10.9
228.12880	0.5
237.09558	0.5
239.05769	0.5
245.04303	1.3
281.12134	1.6
287.05673	0.6
337.45020	0.5
350.88965	0.5
395.14661	0.7
405.68076	0.5
425.14362	1.0
455.16885	12.3
456.17233	1.6
487.13611	5.3
487.19495	81.3
488.13354	0.6
488.19800	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	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65634	0.2
58.16289	0.2
59.01380	6.0
68.19135	0.2
69.66331	1.6
71.01385	4.9
72.99321	0.2
73.02995	0.2
79.35931	0.2
85.02959	0.8
87.00861	0.3
89.02448	4.9
90.53132	0.2
95.01386	0.3
99.00880	0.2
101.02451	2.3
110.97809	0.2
113.02452	1.8
117.03479	19.3
118.03798	0.8
119.03593	1.6
119.05030	7.1
120.05344	0.3
131.03511	0.3
133.01443	0.3
143.03539	0.3
145.02968	100.0
146.03297	5.0
151.00136	0.2
161.04611	0.3
163.04024	8.2
164.04398	0.4
171.04494	0.2
179.05627	0.9
179.11977	0.2
217.05107	0.3
265.07190	0.3
285.78543	0.2
307.08276	2.6
308.09018	0.2
341.10846	2.8
342.11102	0.3
364.88123	0.2
434.93930	0.2
487.14563	21.2
488.14960	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	487.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01565	0.6
58.00584	1.0
59.01376	22.7
61.98812	1.0
69.03454	1.0
69.66849	4.2
71.01383	18.6
72.99293	1.0
73.02948	9.5
75.00867	1.2
75.80091	0.6
83.01342	0.7
85.02953	3.2
87.00877	2.1
89.02451	34.9
90.02763	0.6
93.03468	1.5
95.01408	0.7
99.00842	1.1
101.02449	12.7
103.04021	1.6
108.02168	0.6
113.02466	6.1
117.03495	3.5
119.03522	5.5
119.04991	1.7
121.02962	0.6
123.04518	0.6
125.02448	1.5
129.01944	1.0
131.03513	5.6
132.02174	2.0
133.02968	5.1
134.03757	40.1
135.04468	3.0
136.01668	1.2
137.02419	0.9
145.02942	2.1
147.04533	6.1
148.05370	3.2
149.04573	2.1
149.06061	6.6
151.04016	1.3
158.03790	1.5
159.02921	0.6
160.01672	22.0
161.02457	8.7
161.04562	0.9
163.03987	2.4
163.07594	1.1
164.04730	0.9
173.06064	1.9
175.04013	27.7
176.04794	20.2
177.01945	4.0
177.05435	1.5
178.02742	4.3
179.03329	1.1
179.05663	0.8
191.07140	25.9
192.04243	1.6
192.07442	1.7
193.05061	43.3
194.05400	2.9
202.02750	0.8
207.06627	8.2
208.06987	1.0
211.07629	5.3
217.05037	1.2
220.03773	4.0
226.04576	0.6
235.06093	55.8
236.06432	3.7
237.09190	0.8
237.41873	0.6
265.07056	12.6
266.07632	1.3
293.08908	1.1
295.08203	16.7
296.08420	1.4
304.38113	0.6
311.09827	59.1
312.10129	3.9
327.08646	2.3
336.92529	0.8
341.10913	1.0
354.76535	0.6
355.10452	3.0
383.09857	5.0
384.10229	0.7
397.11331	5.9
427.13733	1.0
469.14359	1.5
476.66595	0.8
487.14529	100.0
488.14917	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	487.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
57.03431	0.8
59.01377	9.0
59.42726	0.5
61.98833	19.7
69.03456	1.9
71.01385	4.2
71.64309	0.8
72.99299	0.7
73.02932	1.6
75.00883	0.8
80.67524	0.5
81.03475	0.9
83.01385	1.7
83.05031	1.9
85.02948	1.7
87.00864	0.8
88.98821	1.2
89.02443	3.1
93.03472	1.0
95.01395	1.6
97.02921	2.5
99.00875	1.0
101.02480	2.7
109.02939	1.1
111.08159	7.4
112.65526	0.5
113.02467	2.0
116.92879	3.2
119.03511	1.9
119.05036	5.7
121.02979	1.9
123.00893	5.9
123.04540	0.7
124.01682	16.5
125.02468	39.8
133.02960	2.3
133.06593	0.7
134.03815	0.6
135.04527	1.9
137.02441	2.6
145.02977	1.2
147.04546	1.3
148.05295	1.4
149.99597	23.4
151.00339	2.2
151.03999	0.6
153.09206	1.1
160.01663	0.8
161.02449	7.7
161.04581	0.8
163.04034	2.9
163.07663	0.7
165.09212	0.9
167.03493	1.3
168.00655	56.9
169.01378	5.5
173.04538	0.6
173.08212	4.5
175.04018	0.8
179.03502	1.9
179.10765	0.8
197.08199	1.4
255.02989	1.1
268.75763	0.6
281.10199	0.9
285.04004	1.0
302.03223	0.7
310.12161	0.9
311.12378	1.6
323.07660	3.7
323.11078	0.6
425.14648	0.9
443.15302	0.6
449.09933	0.8
469.13440	1.3
487.14526	100.0
488.15015	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	487.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02283	0.2
54.27236	0.3
57.03442	0.6
59.01378	8.5
61.98829	11.7
66.34972	0.3
67.01879	0.3
69.50188	1.0
69.50607	1.3
71.01382	5.0
73.02969	1.2
75.00898	0.6
83.01409	1.0
83.05053	0.3
85.02946	2.1
87.00903	0.7
88.98844	0.4
89.02449	2.8
93.03460	2.2
95.01429	0.6
97.02949	0.4
98.20559	0.4
99.00887	0.6
101.02443	3.9
101.03043	0.4
105.03522	0.3
109.02980	0.9
111.00944	0.3
111.04565	0.5
113.02457	2.2
116.92947	0.3
117.03468	3.7
119.03570	1.5
119.05035	6.0
119.05830	0.5
121.02982	0.8
123.04540	0.5
125.02457	1.6
127.03996	0.3
130.04236	0.3
131.05064	1.7
131.05902	0.3
132.02185	2.6
132.05901	0.3
133.02971	28.4
133.06636	1.3
133.10298	0.3
134.03682	1.0
135.04538	16.4
135.11815	0.7
136.04877	0.9
137.02489	1.6
143.03516	0.3
145.02968	9.7
146.03368	0.8
147.04538	0.7
149.02588	0.3
149.06110	2.6
149.09723	0.4
151.00357	0.7
151.04015	0.7
155.10806	0.5
159.04527	0.6
159.08127	0.3
160.01677	3.4
161.02458	100.0
161.05971	3.3
161.09746	1.3
162.02789	4.3
163.04016	5.5
164.04343	0.4
168.00714	0.4
173.04568	1.1
175.04010	5.3
177.05559	4.4
179.03514	20.2
179.10783	3.7
180.03859	0.9
183.10301	0.4
187.04056	0.9
187.07635	0.7
191.05623	6.6
191.07350	0.3
192.05827	0.3
193.05022	0.7
194.19656	0.3
202.06451	0.4
203.03497	3.1
203.10797	0.9
205.05086	2.4
205.12262	0.4
207.38489	0.3
221.04559	4.0
221.11804	0.5
222.04857	0.4
231.10120	0.6
233.04619	0.3
235.06140	1.6
241.01195	0.6
242.02200	0.3
251.05586	5.0
265.07077	4.0
270.01819	0.3
271.02396	0.4
271.05997	0.5
281.06430	6.0
281.08838	1.0
281.12454	1.3
282.06897	0.6
289.07181	0.9
299.02036	0.4
307.08307	1.5
323.07648	6.0
324.08032	0.7
325.09662	0.6
337.09338	2.5
341.08798	7.5
342.09128	0.7
427.10251	0.5
443.18967	1.4
449.14590	1.7
457.29630	0.6
487.12262	12.3
487.18091	0.8
487.25189	0.6
487.31592	0.6
488.12430	2.0
488.25626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.3
61.98835	14.0
62.39161	0.4
69.03467	0.5
69.60888	2.7
71.01394	5.2
72.99309	0.6
73.02940	1.2
75.00858	0.6
83.01360	0.8
85.02952	1.6
89.02457	2.4
93.03418	0.9
95.01360	0.6
97.02964	0.8
101.02444	3.6
107.01402	0.5
107.05035	0.6
109.02954	1.6
113.02479	2.2
115.08309	0.5
117.03482	12.7
119.03629	0.5
119.05046	9.4
121.03005	0.6
123.00829	0.7
123.04540	1.0
124.01698	2.4
125.02471	5.3
132.02161	0.8
133.02975	28.3
133.06682	0.7
134.03683	1.7
135.04541	44.9
136.04871	1.8
137.02480	1.9
145.02969	33.2
146.03400	0.9
147.04550	0.9
148.05295	1.1
149.06090	5.8
149.99556	3.3
151.00381	1.7
155.10809	0.6
155.67604	0.5
159.04547	1.1
160.01686	1.2
161.02460	100.0
162.02786	5.7
163.04039	6.4
168.00676	5.2
175.03992	2.1
177.01936	1.0
177.05583	12.6
178.02762	1.0
178.05945	0.6
179.03511	59.3
179.10791	2.3
180.03917	2.8
180.05374	0.4
187.04027	1.0
189.05573	0.6
191.05609	0.7
193.12398	0.9
203.03481	2.8
205.05112	0.6
217.01379	0.6
221.04555	19.5
222.04929	1.3
233.04521	1.0
235.06201	0.7
251.05591	24.4
252.05992	1.5
263.05676	0.8
265.07169	0.9
281.06644	28.4
282.06927	1.2
289.07123	0.6
305.06885	0.9
323.07721	31.7
324.08163	2.5
341.08838	36.6
342.09167	3.8
412.31039	0.5
427.10440	0.8
443.19073	0.8
451.10464	0.9
464.50070	0.5
487.12384	27.7
487.18451	9.9
488.12735	3.7
488.18765	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	486.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21046	0.1
61.98830	100.0
62.98531	0.2
69.57314	0.2
69.57732	0.7
83.84496	0.1
85.32833	0.1
118.24909	0.1
124.48496	0.1
202.64603	0.1
253.40913	0.1
270.01740	0.2
282.33008	0.2
299.01978	0.2
339.96271	0.1
372.14075	0.1
389.36777	0.1
426.23239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47667	0.1
52.56599	0.1
57.03448	0.1
59.01376	0.8
61.98827	100.0
62.98542	0.2
62.99259	0.1
71.01389	0.5
73.02949	0.2
85.02967	0.2
87.00873	0.2
96.59063	0.1
98.20639	0.3
101.02424	0.3
113.02439	0.2
119.05055	0.1
123.04535	0.2
123.50056	0.2
125.02460	0.3
135.04501	0.1
135.08214	0.2
137.02457	0.2
145.03006	0.4
151.00302	0.2
153.01970	0.2
177.01952	0.2
178.99930	0.2
179.10876	0.2
188.58127	0.1
195.03027	0.2
229.64955	0.2
234.59247	0.2
235.06006	0.2
281.12411	0.2
285.04028	0.2
341.03162	0.3
443.31693	1.5
487.10873	0.1
487.23480	0.2
487.30594	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	487.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.7
59.01385	4.4
71.01386	18.0
71.64270	1.0
72.99310	3.1
73.02946	0.9
78.95918	1.7
85.02950	3.0
87.00870	0.8
89.02451	5.3
93.03470	1.0
95.01388	0.5
96.96011	1.5
96.96967	3.1
99.00885	0.6
101.02457	3.5
102.05634	1.3
113.02462	2.5
115.00391	39.2
116.00710	0.7
117.03484	6.8
119.03551	0.8
119.05043	12.7
128.03546	0.9
131.03566	0.7
133.01450	100.0
134.01797	2.4
135.04530	0.9
137.02490	0.8
142.99879	2.1
145.01651	1.1
145.02972	34.7
146.03300	1.8
146.04585	2.4
151.04109	0.6
161.04596	1.6
163.04022	10.0
164.04356	0.8
173.00873	0.8
173.04593	2.0
179.03572	1.0
191.05615	7.6
206.34435	0.5
207.01718	0.5
269.10309	1.0
295.10324	2.3
307.08179	0.8
309.20547	0.6
313.08936	3.5
317.30124	0.5
341.04004	0.5
353.08771	1.2
407.42764	0.6
487.14609	10.7
488.14771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.3
61.98828	9.1
68.13681	0.2
69.03477	0.3
70.95216	0.3
71.01382	3.6
71.64394	0.5
72.99365	0.5
73.02981	0.8
75.00884	0.3
83.01423	0.6
83.05027	0.2
83.24024	0.2
85.02944	1.8
87.00903	0.4
89.02457	1.7
89.04001	0.3
89.27821	0.2
93.03461	1.3
95.05072	0.3
97.02926	0.3
99.00877	0.3
101.02450	2.7
105.03477	0.4
109.02919	0.6
109.06538	0.3
113.02474	1.7
117.03474	2.7
119.03570	0.6
119.05029	5.1
121.02966	0.7
123.04559	0.4
125.02490	1.1
130.04285	0.8
131.05035	3.1
132.02187	2.6
133.02971	29.5
133.06616	1.0
134.03833	1.6
135.04533	14.9
135.11865	0.4
136.04868	0.8
137.02466	0.8
145.02957	10.7
146.03326	0.4
147.04572	0.5
148.05324	0.4
149.06104	4.1
151.00381	0.4
151.04045	0.5
159.04482	0.5
160.01671	7.1
161.02454	100.0
161.05981	3.1
161.09770	0.8
162.02815	4.4
162.06386	0.3
163.04025	5.2
173.04556	0.5
175.02507	0.5
175.04012	8.2
177.05569	3.5
178.05908	0.3
179.03506	20.7
179.10788	2.1
180.03886	0.9
183.10242	0.3
187.07559	0.4
191.05620	3.0
193.05017	1.1
203.03514	2.6
203.10796	0.5
205.05037	2.3
221.04556	4.2
221.11667	0.3
233.04622	0.3
235.06050	2.4
241.01366	0.9
243.02913	0.3
245.04285	0.3
251.05577	4.4
257.08234	0.4
265.07150	2.9
270.01474	0.4
271.02350	0.7
271.05814	0.3
281.06464	5.3
281.11664	0.5
282.06824	0.3
299.01926	0.5
307.08286	1.3
323.07739	4.4
324.07968	0.8
325.06488	0.5
325.09274	0.8
337.05396	0.3
337.09250	5.7
338.09473	0.4
341.04910	0.3
341.08807	6.1
342.08890	0.3
427.09995	0.8
443.18665	0.8
449.13922	0.6
456.14255	0.3
487.11987	12.2
487.24185	0.5
487.30908	0.4
488.11768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3633
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
60.99300	0.6
70.77916	0.8
71.05008	1.0
85.06574	0.4
96.29257	0.3
97.06594	6.8
101.76121	0.2
162.50317	0.3
190.00441	0.3
191.14351	0.7
231.13527	0.3
255.23328	0.4
256.23254	0.3
257.23923	0.5
276.43158	0.3
373.25198	0.5
374.25974	0.5
375.26947	0.5
377.28476	0.4
389.28479	2.7
390.28635	0.4
391.25821	0.3
391.30164	4.1
392.30283	1.1
403.29956	0.4
405.31659	7.1
406.31992	1.2
407.33182	10.3
408.33377	1.8
421.31250	0.4
423.28253	0.4
423.33142	0.7
437.30463	0.9
438.30771	0.4
439.32071	2.1
440.32437	0.3
441.33740	9.4
442.33890	1.7
451.32153	36.7
452.32492	6.8
453.33698	100.0
454.34021	19.4
454.43481	0.4
471.34833	4.0
472.35153	0.8
485.36636	20.5
486.36957	5.0
497.32684	9.0
498.32919	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	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
60.01701	0.1
61.98829	100.0
62.98534	0.2
71.01394	0.3
73.02955	0.2
75.03411	0.1
79.38552	0.1
85.02962	0.2
87.00909	0.1
89.02441	0.1
101.02453	0.3
113.02398	0.1
114.04369	0.1
131.03503	0.1
133.02979	0.2
135.04594	0.1
145.02963	0.2
161.02440	0.5
177.93953	0.1
179.03511	0.2
179.10835	0.2
212.61394	0.1
241.01410	0.3
242.02310	0.1
270.01767	0.2
271.02621	0.1
281.06610	0.1
281.12473	0.2
291.18301	0.1
292.18512	0.3
293.18793	0.3
294.19022	0.3
304.37146	0.1
340.85538	0.1
341.08893	0.1
392.35999	0.1
426.23285	0.2
487.08511	0.2
487.21689	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	485.3271
Annotation	beta-Kudinlactone
Peak:m/z	Relative Intensity
57.03450	0.3
59.98526	0.2
60.99310	1.3
61.98813	0.2
71.05011	0.4
71.41800	0.4
83.05036	1.0
85.06596	1.8
109.06605	0.6
123.08212	0.2
132.20920	0.2
212.96391	0.2
289.84409	0.2
336.08881	0.2
355.26208	0.2
377.99948	0.2
383.29498	0.2
393.28033	0.6
403.30124	0.3
405.31839	1.5
406.31961	0.3
419.29840	0.2
421.31024	1.4
422.31375	0.3
423.32761	5.2
424.32980	1.1
437.30417	0.5
439.32144	2.8
440.32489	0.4
441.33850	0.6
455.31744	0.6
456.28610	0.2
467.31644	9.1
468.32092	1.3
485.32721	100.0
486.33072	19.8
486.40558	0.3
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	Unknow
Peak:m/z	Relative Intensity
54.93222	0.3
67.34969	0.3
70.93092	0.7
73.02884	0.6
108.99026	0.3
124.81277	0.3
132.62503	0.3
140.92870	0.3
142.38045	0.3
163.03139	0.3
220.64658	0.3
278.50974	0.3
281.37073	0.3
300.26779	0.3
336.68713	0.3
355.25870	0.3
391.30157	0.4
409.30927	1.0
417.19751	0.3
437.30670	2.3
438.31061	0.4
455.31628	62.6
456.31934	12.2
485.32706	100.0
486.33084	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
72.11430	0.2
72.33894	0.2
73.02962	0.2
85.32438	0.2
152.24040	0.2
156.62228	0.1
178.34528	0.1
363.26929	0.4
379.30231	0.3
407.25940	0.3
409.31046	0.9
410.31436	0.2
415.64008	0.2
425.26956	1.8
426.27066	0.4
437.30603	3.6
438.31003	0.7
455.31644	12.8
456.31995	2.7
485.32761	100.0
486.33109	20.2
486.40381	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97026	0.1
58.51243	0.1
66.10310	0.1
67.20305	0.2
69.30761	1.6
73.02956	0.4
180.85411	0.2
186.54575	0.1
241.19521	0.2
339.23303	0.2
407.29706	0.2
409.31186	0.3
439.32098	0.2
473.32608	0.3
479.68533	0.2
485.32693	100.0
486.33051	19.6
486.40405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
57.03452	0.3
59.01384	1.3
60.99316	0.3
61.98837	0.5
70.08859	0.5
70.09269	0.3
71.05042	0.3
73.02959	1.8
78.95902	0.1
86.07114	0.2
97.06588	0.4
115.25894	0.1
162.53699	0.2
347.24063	0.2
355.26535	0.4
363.26990	0.7
364.27905	0.2
377.28720	0.3
379.30145	0.5
381.27933	0.2
391.30280	0.3
395.29681	0.2
403.30136	0.3
405.31815	0.3
407.26080	0.6
409.31485	0.9
411.29068	0.3
421.31229	0.3
423.32925	1.7
424.33426	0.3
425.26959	3.0
426.27551	0.5
437.30692	1.2
439.32321	0.7
441.29401	0.3
441.34280	0.5
449.30743	1.4
450.31210	0.2
455.31717	17.0
456.32138	3.2
467.31863	2.6
468.32202	0.5
485.32904	100.0
486.33282	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
57.03442	0.8
59.01377	21.3
61.98816	1.4
69.03455	0.6
70.03580	1.0
70.03965	1.2
71.01383	22.1
72.99313	1.0
73.02942	7.1
75.00899	0.6
83.01387	1.9
85.02955	7.6
86.00096	0.6
86.59798	0.5
87.00871	6.0
89.02446	7.6
93.03467	2.3
95.01388	2.0
96.96016	0.8
96.96957	0.8
97.02956	0.5
99.00900	1.7
99.92570	0.6
101.02452	13.5
109.02899	0.6
111.04490	0.7
113.02455	7.7
115.92075	1.6
116.92842	0.8
119.03526	2.5
121.02986	3.4
129.01968	1.0
131.03548	4.9
133.02994	0.6
135.04527	1.8
137.02376	0.6
143.03514	1.2
145.03012	0.8
145.07704	0.9
146.04871	1.3
149.00659	2.1
151.22510	0.6
153.01932	0.6
159.02963	1.3
160.06439	6.3
161.02463	1.5
161.04588	6.6
161.07214	56.2
162.07549	2.1
173.04584	2.8
175.08778	19.9
176.09047	1.5
179.05643	0.7
181.07100	0.8
187.08778	2.5
189.06700	80.8
190.07062	5.6
191.05632	10.6
192.99640	1.6
201.10321	0.8
203.08270	16.7
204.08542	1.4
205.08788	1.3
221.06685	7.0
229.09825	2.2
249.11279	1.1
262.95871	0.5
277.11807	1.3
287.05511	0.8
305.11432	8.9
323.12396	1.8
325.11502	1.2
447.15042	3.4
448.15479	0.6
467.16193	2.8
468.16156	0.8
485.17755	100.0
486.18115	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	485.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68981	0.5
55.87533	0.5
57.03440	0.6
57.21642	0.5
59.01378	8.4
60.19640	0.5
61.98836	7.4
65.00308	1.0
65.03954	1.4
66.76833	0.5
67.01878	1.2
69.03464	0.6
71.01373	5.2
71.63724	0.9
71.81102	0.6
72.99266	0.6
73.02942	1.7
73.22962	0.6
74.72491	0.5
83.01402	0.9
83.05040	0.6
84.18657	0.6
85.02964	1.2
89.02439	1.4
91.01901	73.6
92.02258	3.2
96.96013	1.1
97.06618	0.8
101.02462	3.1
105.45981	0.6
107.01486	0.7
109.02975	4.9
113.02454	2.2
119.03516	0.9
121.02931	1.2
125.02502	0.9
135.00900	29.0
135.04433	0.7
136.01239	1.2
137.02463	1.4
143.10773	4.7
144.95085	0.6
149.00697	0.7
149.02451	1.6
151.00345	1.0
153.01945	22.7
154.02324	0.9
155.10774	0.8
157.12338	7.6
161.04558	0.7
163.00299	0.8
163.03920	0.6
167.03488	0.8
178.99870	94.2
180.00232	4.9
192.99596	0.8
195.12787	0.6
197.00919	10.5
198.01227	0.6
201.11244	1.0
209.11812	1.2
221.00766	1.3
287.05609	0.8
323.03937	1.6
383.11871	0.7
411.29068	1.4
423.29239	1.1
435.29184	0.7
439.32175	2.6
453.30191	3.5
465.30167	2.3
465.59265	0.7
467.15359	2.3
485.16641	100.0
485.28455	9.4
485.32974	10.2
486.16943	14.3
486.29175	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	485.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09538	0.4
57.03434	0.6
58.00577	0.7
59.01387	3.9
60.07482	0.4
61.98826	14.4
69.03454	0.7
71.01379	2.7
71.64552	0.8
73.02944	0.8
75.00853	0.8
81.03455	1.0
85.02959	4.3
85.53008	0.4
87.00871	0.6
87.04502	1.0
89.02435	0.5
93.03458	2.4
95.01386	1.5
95.05034	0.6
97.06589	1.4
99.00880	0.6
99.04524	0.4
101.02444	1.6
105.03455	0.5
108.02183	35.1
109.02972	23.4
109.06683	0.5
110.03289	0.7
111.04557	0.5
113.02429	1.0
113.06100	0.5
121.02971	1.4
121.06673	0.5
123.00889	1.3
123.04579	0.6
123.08178	5.3
125.02451	1.4
125.09734	13.7
127.03951	0.5
129.01952	0.6
133.02916	1.1
135.04553	0.6
137.02428	1.4
137.09717	0.5
139.07635	0.4
143.10757	1.1
145.02968	0.5
149.02359	0.5
152.01167	51.6
153.01961	18.9
153.09239	0.7
154.02338	0.9
155.10770	1.7
163.04030	0.9
167.10747	0.6
168.00662	0.7
169.08685	2.3
173.04573	0.8
177.00479	0.7
177.01936	9.5
177.03593	0.6
178.02176	0.5
183.10298	1.4
187.09784	12.1
191.05615	11.1
192.05952	0.6
201.11252	1.2
205.04968	0.8
211.09734	1.1
215.12892	3.3
225.11339	0.4
229.10779	1.2
271.11826	2.0
315.07150	0.6
329.42477	0.5
419.09436	0.4
422.10693	0.7
441.17737	3.0
449.14398	1.2
453.14297	0.8
485.16599	100.0
486.10648	0.6
486.17062	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	485.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54601	0.8
51.84158	0.8
54.56533	0.8
58.00593	1.7
59.01379	34.2
61.98832	58.8
65.00307	1.2
69.63850	1.7
69.64257	4.8
71.01382	24.9
72.99294	2.6
73.02912	2.8
74.67959	0.8
81.03435	1.0
83.01393	1.9
83.05035	1.2
83.77567	0.8
85.02953	5.7
87.00874	2.2
89.01935	1.5
89.02451	23.1
93.03474	5.5
96.96956	1.0
97.02927	1.2
101.02458	13.1
101.06058	1.2
107.01366	3.6
108.02131	1.1
109.02967	2.5
111.04486	1.5
113.02461	9.3
117.03410	1.3
119.03492	6.7
121.02966	2.6
123.04489	0.9
124.01646	1.1
125.02422	3.7
126.83289	1.0
129.05608	14.4
129.09219	1.3
130.04245	1.7
131.03462	2.4
131.05060	6.7
132.02113	3.3
133.02965	6.2
134.03766	13.4
135.04520	1.1
137.02367	3.6
145.02898	1.2
147.04436	1.6
147.06677	4.5
148.01663	1.3
148.05275	1.7
149.04483	2.9
149.05928	1.4
151.00401	13.7
151.03987	1.4
160.01678	20.5
161.02454	18.1
161.06009	1.1
162.02771	1.7
163.00336	3.4
173.04494	3.7
175.04012	22.9
176.04619	3.4
176.56303	0.9
178.02533	1.1
178.99861	6.4
179.03429	1.1
179.05556	1.5
191.05516	9.1
191.07094	3.4
193.05066	10.1
195.04944	1.0
207.06546	2.2
211.04037	1.2
227.03409	1.0
229.04843	1.1
235.06157	6.2
243.02966	6.4
245.04437	2.1
254.02039	2.1
255.02971	18.9
256.03192	2.1
257.03531	1.2
265.07095	1.8
271.02451	33.2
272.02829	5.3
273.03143	3.1
283.02451	1.1
293.08768	5.6
295.08267	1.0
299.01849	1.2
300.02756	69.1
301.03485	57.1
302.03622	12.5
303.03918	3.9
309.11905	90.4
310.12305	5.6
393.38422	0.9
430.49789	1.0
439.21539	1.4
447.09320	100.0
448.09717	15.3
449.09766	15.4
450.09641	2.2
467.15598	5.6
468.15479	1.3
485.16266	52.7
486.16098	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	485.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23701	0.5
57.03423	0.9
58.00584	1.1
59.01378	25.4
61.98828	18.9
69.03488	0.7
69.29687	1.8
69.30097	4.0
70.85660	0.6
71.01382	15.0
71.05010	1.4
72.09767	0.6
72.99300	2.0
73.02948	1.7
75.00869	1.0
75.24473	0.5
81.03462	0.7
83.01394	1.3
84.57126	0.5
85.02948	4.7
87.00866	1.7
87.04507	0.7
89.02448	14.8
90.92089	0.6
93.03449	2.2
95.01372	1.6
97.02924	1.0
98.20605	1.2
99.00890	1.2
101.02457	13.7
108.02165	1.0
109.02947	2.0
111.04490	0.7
113.02457	6.4
117.03471	3.0
119.03516	7.8
121.02926	1.9
122.03736	1.1
123.04493	0.7
124.01653	2.2
125.02446	5.2
132.02173	1.7
133.02977	6.3
134.03755	29.6
135.04594	4.1
136.01656	1.6
136.03905	0.6
137.02469	3.9
139.00357	0.8
145.02974	1.3
147.00847	0.6
147.04555	4.4
147.06624	3.4
148.05309	3.4
149.06113	6.1
149.99564	2.7
151.00423	0.9
152.01186	0.8
153.01924	2.0
158.03725	1.6
160.01677	13.0
161.02478	14.7
161.04538	1.3
161.05939	0.6
162.03073	0.5
163.03972	1.1
163.07616	0.8
164.04681	0.7
168.00626	4.5
169.01276	0.9
173.04613	0.7
173.06085	2.8
173.11873	0.9
175.04016	16.5
176.04799	15.7
177.01958	3.5
177.03795	0.5
177.05435	1.0
178.02744	3.7
179.03479	1.3
190.02679	1.8
191.05661	1.5
191.07138	21.6
192.04283	1.9
192.07372	1.1
193.05066	32.4
194.05405	2.0
195.01157	2.5
205.04987	1.7
207.06618	7.8
217.04993	0.8
220.03746	3.9
223.05965	0.6
235.06113	46.3
236.06474	3.3
239.00130	0.8
265.07196	6.8
295.08173	7.8
296.08630	0.9
309.11908	47.0
310.12186	2.6
355.10129	1.0
373.82236	0.7
425.17969	0.9
469.15231	0.7
485.16504	100.0
486.16876	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	485.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92184	0.4
53.77266	0.5
55.01873	1.0
57.03437	1.0
58.00591	1.0
59.01377	26.6
61.98574	0.4
61.98833	5.2
62.59975	0.4
69.03442	0.4
71.01385	17.5
71.05029	2.1
71.56718	0.4
71.57100	0.7
71.63043	0.4
72.99300	1.8
73.02950	1.0
75.00895	0.6
80.11399	0.5
81.03458	0.5
83.01401	1.4
83.49214	0.4
85.02952	4.4
86.66389	0.4
87.00871	1.6
89.02453	15.3
89.03938	0.5
91.01886	0.8
93.03473	2.3
95.01402	1.4
96.96033	0.5
97.02945	0.7
99.00903	0.9
101.01797	0.8
101.02460	13.8
104.65976	0.4
108.02171	0.8
109.02997	0.6
111.00893	1.7
113.02458	7.5
117.03483	2.5
119.03523	6.9
119.05021	0.5
121.02972	1.0
122.03758	1.6
123.00847	0.7
123.04528	1.7
124.01656	1.7
125.02497	3.2
131.03474	0.6
132.02211	2.1
133.02959	7.7
134.03758	38.9
135.04582	5.0
136.01646	0.9
137.02457	3.6
141.01990	2.6
143.03575	0.7
145.02962	0.6
147.04546	6.2
147.06609	3.6
148.05293	3.7
149.02505	0.6
149.04831	0.7
149.06100	6.6
149.82515	0.4
149.99576	1.8
150.03238	0.7
151.03996	1.5
153.05629	0.7
155.10806	2.0
158.03731	2.2
160.01668	14.6
161.02466	16.6
161.04581	1.3
162.02820	0.9
162.06906	0.8
163.03986	1.2
163.07664	1.3
164.04788	1.1
168.00633	3.0
173.04529	1.3
173.06070	2.3
173.11830	1.5
174.03244	0.6
175.04019	21.4
176.04793	22.2
177.01891	3.7
177.05283	1.6
178.02728	3.9
178.99911	2.1
179.03458	1.4
179.05687	0.6
189.05310	0.5
190.02702	1.4
191.05653	2.1
191.07144	25.7
192.04382	2.0
192.07480	1.6
193.05063	42.3
194.05441	1.6
199.09744	1.5
205.05099	1.8
206.05466	0.4
207.06627	10.5
208.06898	0.6
220.03801	4.3
221.08159	0.7
231.10124	0.6
235.06105	52.6
236.06413	3.5
247.05936	0.4
248.79546	0.5
265.07153	8.3
266.07501	0.7
295.08228	9.5
296.08551	0.9
307.11752	1.2
309.11899	53.7
310.12244	3.7
337.09390	0.7
343.13959	0.6
355.10379	1.6
361.16183	0.5
447.08591	0.6
467.15707	1.2
485.16586	100.0
486.16916	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	485.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	0.7
57.03469	1.1
58.00635	1.3
59.01101	1.9
59.01380	32.0
59.87486	0.7
61.98831	17.8
69.03533	0.7
69.58288	2.0
69.58708	2.3
71.01031	0.9
71.01384	18.0
71.05075	0.7
72.99323	2.7
73.03019	1.5
75.00945	1.6
83.01439	1.1
83.05095	1.0
85.02950	5.6
85.06654	0.7
87.00961	2.6
88.98891	0.6
89.02451	18.9
93.03461	4.6
95.01455	1.3
96.96046	0.8
96.97067	0.7
99.00970	1.1
101.02455	16.5
101.06131	1.1
108.02216	0.9
109.03025	0.9
111.04514	2.9
113.02455	8.0
117.03573	0.9
117.94368	0.5
119.03510	8.7
119.05014	0.8
120.46592	0.5
121.03020	1.1
123.04568	0.7
125.02561	1.3
129.05602	14.3
132.02274	2.4
133.02972	6.7
134.03767	11.4
134.04697	0.9
135.04562	4.8
137.02438	4.7
143.01917	0.7
143.03595	1.1
145.03049	2.2
147.04570	1.0
147.06641	4.6
149.00845	0.7
149.06183	1.4
150.29022	0.6
151.00488	1.7
151.04074	0.7
160.01668	16.4
161.02466	21.3
161.04546	0.9
162.02911	1.4
163.04123	0.9
168.00790	0.8
173.04636	2.5
175.04025	21.2
176.04752	2.9
178.02815	1.2
179.03587	3.2
179.05595	0.8
185.67581	0.6
191.05684	4.4
191.07242	3.0
192.99744	0.9
193.05098	9.3
193.06784	0.8
195.05147	0.7
204.36008	0.5
207.06592	0.9
220.03848	0.7
221.04590	0.8
235.06122	6.2
240.70164	0.7
243.03055	0.7
255.02951	1.5
271.02460	2.6
281.06726	1.1
295.08322	1.1
300.02765	5.6
301.03491	3.8
302.03928	0.7
309.11914	100.0
310.12210	7.1
323.13495	14.7
324.13754	1.4
341.08737	0.8
425.14233	1.1
447.09280	8.6
448.09451	1.8
449.09732	1.7
467.15555	4.0
485.16449	64.5
486.16803	8.7
506.71780	0.7
513.69183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01093	1.2
59.01377	19.3
61.98520	0.9
61.98829	13.6
69.03452	2.6
69.68848	0.6
69.69185	4.8
71.01387	10.6
71.26299	0.6
72.99303	1.4
73.02961	0.9
75.00909	0.9
78.83115	0.7
81.03473	1.4
83.01393	2.5
83.05034	1.2
85.02948	4.4
87.00882	2.3
88.98817	1.5
89.02452	7.5
93.03475	4.6
95.01395	2.6
97.02948	2.2
99.00886	0.8
101.02456	8.3
101.06084	0.7
107.01396	0.8
109.02934	2.4
109.06610	3.6
111.04536	2.1
113.02460	4.3
117.03416	0.7
117.58874	0.7
119.03524	3.8
119.05027	1.7
121.02956	1.2
121.69579	0.6
123.00906	7.7
123.04544	0.9
124.00848	1.2
124.01683	19.8
125.02464	65.5
126.02781	2.7
127.07637	4.5
129.05609	8.8
131.03505	0.7
132.02216	0.9
133.02975	2.9
134.03764	9.5
135.04527	1.9
136.01678	1.4
137.02467	4.2
145.02945	0.9
147.04501	0.8
147.06621	1.6
149.02429	0.8
149.06128	1.7
149.99596	30.5
151.00322	2.9
151.03955	0.9
151.07675	1.0
152.01085	1.0
155.03583	0.7
159.66293	0.6
160.01666	9.8
161.02467	9.7
166.75269	0.6
167.03456	1.6
168.00656	68.9
169.01414	8.3
171.06621	0.8
173.04561	4.1
174.34210	0.7
175.04016	11.5
176.04706	2.1
177.05550	1.5
178.02748	1.1
179.03624	1.6
191.04057	0.8
191.05609	5.8
191.07176	2.8
193.05048	5.7
194.05388	1.3
195.05032	1.1
207.06546	0.8
217.11116	0.6
219.06607	0.6
235.06053	4.0
237.06493	0.7
249.37204	0.6
259.86108	0.7
279.10410	1.5
287.07828	0.9
309.11896	52.0
310.12277	2.7
313.05469	1.6
331.06622	8.0
335.62656	0.9
381.06079	1.5
467.16122	4.0
485.12326	100.0
486.12839	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	485.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.20491	0.8
58.56375	0.8
59.01377	100.0
60.01697	1.0
61.98829	3.6
69.03460	2.5
70.06865	3.4
71.01385	30.5
72.99336	1.3
73.02955	5.3
75.00888	1.1
78.95904	9.3
83.01389	17.3
85.02952	9.4
87.00887	7.7
89.02448	32.2
90.02796	0.9
95.01405	3.4
96.96980	2.0
97.02950	2.0
98.20621	1.5
99.00903	1.4
101.02457	17.4
105.49289	0.8
111.00935	1.0
113.02454	28.5
119.03507	12.8
119.04936	0.8
125.02456	1.9
131.03511	2.0
141.01903	0.9
143.03528	9.1
149.04576	1.3
161.04541	9.3
179.05627	16.6
191.05658	1.2
192.99667	0.9
202.28989	0.9
204.12442	0.9
305.08740	1.7
323.09857	22.2
341.10901	85.1
342.11356	5.8
365.10892	6.2
383.11938	84.5
384.12289	6.8
425.12723	2.2
479.03662	0.9
485.18036	3.6
494.68158	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16557	0.5
56.17298	0.4
57.03440	3.0
59.01380	3.1
61.98834	3.0
63.02390	0.7
65.00329	1.5
71.01382	3.0
71.56476	0.7
81.03455	1.2
83.01390	3.3
83.36005	0.5
85.02953	1.9
87.00880	0.9
88.98769	0.6
89.02452	1.1
93.03467	6.0
99.00925	0.6
101.02448	2.2
107.01408	1.7
108.02202	1.0
109.02978	1.3
111.00860	0.6
113.02455	1.2
121.03010	0.8
123.04513	0.7
124.01649	0.8
125.02456	36.4
126.02807	1.4
132.04616	0.8
132.30586	0.5
133.02957	1.7
134.03699	0.6
135.04495	0.9
137.02473	6.5
145.02921	0.9
146.08209	0.8
149.02513	0.6
151.00397	7.4
151.04047	0.6
152.01170	4.2
153.01988	2.7
157.06622	0.7
159.03290	5.1
159.10445	0.5
160.04051	37.6
161.02455	1.2
165.01930	1.7
169.01564	0.7
172.05278	1.0
173.04619	1.2
173.06087	3.6
175.00381	0.9
175.04019	0.7
177.05554	3.9
177.09264	0.7
178.99867	6.7
181.01427	0.7
181.07153	1.0
191.05617	6.0
199.07625	1.2
200.04906	0.6
201.05585	5.1
203.03528	1.2
204.03023	1.6
213.05522	0.8
215.07152	5.2
216.07637	0.7
219.06537	0.7
241.05072	0.9
243.06598	7.9
244.06944	0.6
259.06091	52.4
260.06445	4.4
269.04453	1.5
273.07718	0.5
281.06671	8.4
283.06180	3.4
287.05603	100.0
288.05933	8.8
301.07123	2.7
311.05688	1.0
321.15347	1.2
322.09332	0.9
337.09329	0.6
421.11539	3.9
425.20361	0.6
440.86371	0.5
442.11432	6.7
449.10898	12.8
450.11307	1.6
467.15567	0.8
485.18002	2.4
486.10358	9.5
486.16544	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	484.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.2
59.01378	1.4
61.98832	100.0
62.98543	0.2
62.99282	0.2
65.54681	0.1
65.82605	0.2
66.64946	0.2
67.01903	0.3
68.83807	0.2
70.81205	0.5
71.01385	1.1
73.02966	0.4
75.00888	0.3
78.95921	0.3
85.02963	0.8
87.00886	0.2
89.02465	0.6
93.03478	0.8
96.96014	1.3
96.96978	0.4
101.02468	0.6
108.02168	1.5
109.02979	0.8
110.03328	0.3
113.02506	0.3
117.03493	0.2
119.03516	0.2
119.05073	0.4
121.03012	0.7
123.04571	0.3
124.86434	0.2
125.02509	0.5
133.03017	0.6
134.03876	0.2
135.04587	0.2
137.02487	1.0
140.03578	0.3
145.02969	1.1
147.04593	0.4
152.01198	0.9
152.02284	0.2
153.01793	0.8
155.10809	0.5
157.06769	0.2
160.01724	0.2
161.02548	0.4
161.04637	0.3
161.06108	0.5
163.04071	0.4
173.04613	0.5
175.03981	0.2
177.01979	0.5
177.04120	0.2
183.25450	0.2
187.07635	0.2
191.05624	1.9
191.07092	0.2
192.94833	0.2
193.05103	0.2
199.09830	0.3
200.11949	0.2
202.06374	0.2
250.42480	0.2
309.11792	0.2
311.09473	0.3
383.12177	0.2
449.14850	0.4
449.66840	0.2
450.03696	0.2
484.18344	3.3
485.16772	1.1
485.24857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13615	0.2
51.47863	0.2
54.87640	0.2
61.98830	0.3
68.57066	0.2
71.32655	0.4
74.52650	0.2
78.95909	8.8
84.41734	0.2
96.96964	0.7
103.60490	0.3
109.69223	0.2
150.98022	0.3
152.99612	15.7
153.99985	0.5
171.00630	1.2
227.03261	3.6
245.04190	1.5
255.23285	100.0
256.23624	9.4
303.64670	0.2
393.18304	0.3
406.61496	0.3
483.27234	38.8
484.27515	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3113
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
57.03430	0.2
59.01392	0.2
61.98816	0.4
71.62617	0.3
73.02952	0.2
73.62209	0.2
90.34259	0.2
97.06578	0.2
108.37099	0.1
139.07681	0.1
178.83875	0.2
339.23169	0.3
357.25021	0.2
377.28754	0.2
379.30219	0.2
405.27875	0.2
407.29517	0.5
408.29865	0.2
411.28934	0.2
421.27658	0.3
435.29092	1.0
439.28177	0.8
453.30069	60.8
454.30414	11.2
483.31195	100.0
484.31519	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	483.3115
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
50.62976	0.1
51.11972	0.1
57.03447	0.3
61.98823	0.1
68.74464	0.1
70.80128	0.2
70.80481	0.3
71.01366	0.1
73.02957	0.1
74.39689	0.1
101.06074	0.3
139.07707	0.1
171.62131	0.1
391.26538	0.2
407.29514	0.5
435.29114	0.7
436.29120	0.1
439.28503	0.3
453.30090	7.2
454.30353	1.4
483.31152	100.0
484.31512	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3112
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.04448	0.2
55.90109	0.2
57.03442	0.4
59.01373	4.4
61.98833	1.1
70.80962	0.8
71.01404	0.3
71.05040	0.3
72.33482	0.3
73.02584	0.3
73.02955	1.1
74.63368	0.2
78.95943	0.3
81.06557	0.3
95.08684	0.3
97.06608	0.3
187.11320	0.5
251.63968	0.3
259.05930	0.3
339.23239	0.6
369.24609	0.5
407.29602	1.1
409.31195	1.0
419.29254	0.4
421.31308	0.8
437.30646	4.4
438.31064	1.1
439.27975	0.7
439.32916	0.5
453.29935	0.7
465.29819	0.5
483.31198	100.0
484.31525	20.6
484.38724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83496	0.2
54.96847	0.2
57.03457	0.4
59.01385	0.8
61.98833	2.2
70.81165	0.6
80.91705	0.9
94.43340	0.2
100.78513	0.3
108.88193	0.2
111.00906	0.7
113.61796	0.3
133.39494	0.2
137.02461	0.8
145.02956	0.3
146.93875	0.4
165.01892	0.5
191.07216	0.4
203.95972	1.3
206.46883	0.3
217.37485	0.3
217.39642	0.2
218.54051	0.3
218.56081	0.3
253.16095	0.2
294.94312	0.3
305.21249	0.7
321.22220	1.0
355.22769	1.1
361.25446	0.3
371.25900	0.6
381.23495	0.3
385.12897	0.4
386.13428	0.3
389.28677	0.3
391.26270	0.3
403.26483	0.9
405.28116	0.5
407.25317	1.3
408.26205	0.3
409.27429	0.7
421.27274	0.6
423.22961	0.2
423.29279	1.6
428.99500	0.2
435.29126	1.0
437.30652	49.2
438.30984	8.9
439.32184	18.3
440.32559	3.2
453.30219	0.3
481.29831	0.3
483.31180	100.0
484.31519	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03446	2.4
58.00589	1.2
59.01373	70.1
60.01709	0.8
61.98822	3.2
69.03462	0.5
69.49380	2.3
71.01379	26.3
72.01729	0.8
72.99301	1.0
73.02946	12.3
75.00872	0.5
83.01382	7.1
83.77859	0.3
85.02952	17.3
86.00090	0.7
86.03268	0.4
87.00871	1.4
89.02442	3.1
90.00726	0.3
95.01386	1.9
97.02982	0.7
99.00881	5.8
101.02447	35.4
102.02757	0.6
109.02975	0.8
111.00873	1.0
113.02451	14.1
114.02781	0.6
115.61890	0.3
119.03498	0.6
125.02462	1.0
129.01933	1.0
131.03510	37.8
132.03859	1.3
137.02457	0.4
143.03493	1.5
152.01183	0.5
153.01929	0.5
153.05455	0.3
159.02992	2.6
161.02507	0.5
161.04570	11.6
162.04855	0.4
199.13309	0.6
215.05411	0.3
227.33917	0.3
291.18097	100.0
292.18472	8.8
335.17068	0.6
423.22318	32.0
424.22665	4.4
467.42920	0.3
483.18567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23800	0.3
52.62280	0.3
57.13700	0.3
61.98831	0.6
62.25500	0.3
66.35654	0.3
78.95904	17.9
96.96980	1.3
124.48680	0.4
140.40572	0.4
150.98010	0.5
152.99599	30.0
171.00647	1.4
227.03256	4.8
245.04352	0.9
255.23277	100.0
256.21024	0.7
256.23611	10.1
301.26834	0.3
451.32034	0.6
483.27246	62.2
484.27548	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	483.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58154	0.9
55.01865	1.2
57.03437	1.9
58.00584	3.2
59.01374	74.5
61.98828	50.6
61.99155	2.1
62.99260	1.0
69.03445	5.2
69.45828	0.9
69.56833	7.9
71.01379	86.2
72.01705	1.8
72.99303	3.4
73.02950	12.6
75.00879	1.2
78.31332	1.0
81.03464	3.5
83.01385	4.7
83.95069	0.9
85.02950	12.2
87.00878	3.0
89.02445	93.0
90.02797	1.0
93.03453	7.1
95.01418	2.0
96.95998	1.1
97.02950	6.8
99.00899	2.8
100.90324	1.0
101.02453	30.2
107.01396	2.4
109.03046	1.6
111.00903	1.2
111.50432	0.9
113.02457	12.7
117.03437	1.5
119.03499	3.5
119.05019	1.5
121.02998	1.0
123.04510	1.2
125.02452	35.0
129.09225	100.0
130.09541	3.9
131.03511	24.9
134.03778	1.6
137.02467	13.5
139.03969	1.7
141.62573	1.1
143.03484	3.7
145.02982	8.4
146.03281	1.3
149.04562	45.1
150.04904	1.3
151.00389	3.2
160.01633	2.2
161.02452	1.8
163.04019	1.3
164.64746	1.0
167.03487	1.3
168.00601	1.8
169.01486	1.1
175.03963	3.1
178.99741	1.0
179.03522	1.5
179.44817	1.0
191.05608	12.0
192.99652	1.2
193.04994	1.4
217.39073	1.0
233.06615	5.5
235.05916	1.0
255.02831	1.8
257.04495	1.4
271.02368	3.2
275.07550	2.0
284.03223	3.6
285.03952	5.2
289.07153	1.7
293.08777	90.3
294.09149	5.5
300.02625	6.0
301.03421	4.0
307.08148	4.0
391.35144	1.0
420.10156	1.4
423.18756	10.9
445.11407	4.1
447.09286	16.9
448.09671	1.5
483.14764	4.4
483.19260	3.0
495.47629	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03440	2.1
58.00590	1.5
59.01379	94.0
60.01719	1.3
61.98832	26.8
65.22853	1.0
70.74954	3.0
71.01382	41.5
72.99313	2.2
73.02950	17.0
75.00893	1.1
75.56812	0.9
83.01395	10.8
85.02959	23.2
86.00130	1.3
87.00886	1.8
88.98820	2.9
89.02461	9.0
90.43108	0.9
93.03487	1.1
95.01427	2.5
97.02989	2.0
99.00890	5.7
101.02454	48.5
108.02187	1.0
111.00934	1.7
112.51040	1.0
113.02465	17.2
113.03256	1.1
115.04026	2.3
119.05074	1.2
121.88831	0.9
125.02428	4.6
129.01962	1.3
131.03525	41.5
132.03874	1.2
135.04492	1.3
135.08145	1.7
143.03554	1.1
149.04564	1.7
149.99632	2.8
151.00349	1.5
152.99455	1.0
159.03017	2.6
160.01678	3.5
161.02519	1.3
161.04587	10.7
163.04015	1.7
173.04602	1.5
175.04021	3.6
179.10779	1.7
179.42912	1.0
191.05618	1.3
193.05101	0.9
271.06210	1.2
277.09198	0.9
291.18124	100.0
292.18469	9.1
313.05597	6.5
341.56213	1.0
423.22339	70.5
424.22726	9.6
483.19485	3.1
483.22092	3.7
483.33340	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	483.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03443	1.6
58.00616	1.2
59.01380	23.6
60.99311	1.1
61.98831	100.0
66.99310	1.0
67.01881	1.5
71.01385	14.8
71.59547	1.1
71.59977	1.6
73.02953	4.1
78.95908	1.8
83.01392	3.2
85.02944	6.5
85.36613	1.2
87.00940	1.2
88.98820	2.5
89.02454	8.9
90.57710	1.2
93.03485	13.5
95.01418	1.7
99.00893	1.5
101.02464	10.7
108.02164	2.9
108.41807	1.1
109.02950	5.4
111.04529	3.0
113.02454	4.6
115.03999	3.1
117.03479	1.6
119.05040	10.2
121.02980	3.3
125.02457	1.5
127.04043	1.4
131.03532	4.6
132.02193	1.2
135.08160	3.5
137.02481	5.7
139.04085	1.3
145.02971	4.4
149.04576	2.7
149.99612	8.7
151.00415	2.8
152.01193	4.9
152.99612	1.3
153.01945	1.5
155.03500	2.2
160.01671	2.8
161.04549	2.4
163.04008	12.9
165.01939	2.2
173.04570	55.0
173.06068	2.8
174.04936	2.2
175.04002	4.4
179.10791	3.1
191.05655	5.8
240.87668	1.1
277.09256	1.6
291.18185	7.6
313.05634	18.4
337.09262	26.1
337.15207	1.8
338.09625	2.8
421.11157	1.9
423.22427	20.0
424.22775	2.8
447.22070	1.3
483.19092	16.1
483.33041	4.4
484.19858	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	483.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
59.01374	17.1
61.98833	100.0
65.58199	1.3
67.01886	1.9
69.60231	2.6
69.60635	9.0
70.73080	1.2
71.01390	10.3
73.02957	2.7
85.02977	4.0
87.00890	1.6
89.02446	6.8
92.47054	1.5
93.03470	15.1
95.01370	1.4
97.03010	1.3
98.19865	1.7
99.00883	2.1
100.46265	1.5
101.02453	8.5
102.03437	1.2
108.02160	2.1
109.02965	3.8
111.04530	3.2
113.02460	5.7
115.04035	3.3
119.03396	1.4
119.05051	14.2
121.02982	2.0
131.03537	4.6
135.08163	5.0
135.11835	1.8
137.02469	4.8
145.02974	6.8
149.04573	3.5
149.99602	5.8
151.00378	2.1
152.01149	3.1
153.01971	1.9
155.03548	4.9
160.01741	3.2
161.04576	2.6
161.09651	1.5
163.04010	18.1
173.04579	73.2
174.04912	2.7
175.03998	5.0
179.10802	4.3
191.05606	8.1
212.46384	1.4
237.96669	1.4
265.52713	1.5
265.99664	1.4
272.06412	1.4
277.09250	2.2
291.18060	1.7
313.05649	16.0
337.09277	31.9
338.09592	4.3
421.11749	2.6
423.22385	4.5
445.15179	1.9
447.22348	5.2
483.19229	18.9
483.33557	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	483.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
58.00583	1.1
59.01376	21.1
61.98827	49.1
69.28579	7.5
69.28995	2.6
71.01382	20.6
72.99301	2.1
73.02941	4.4
75.00873	2.4
78.95887	1.1
83.01367	2.2
83.45901	0.9
85.02950	8.8
86.20676	1.0
87.00858	4.5
89.02437	12.6
89.03954	1.5
91.61578	1.0
93.03469	6.2
95.01395	1.6
96.95995	2.3
96.96951	1.9
97.02941	1.8
99.00874	2.7
101.02448	13.1
102.02786	1.0
108.02189	1.7
109.02905	1.3
111.00863	1.8
113.02460	9.4
114.22161	1.2
117.03476	12.2
119.03493	4.4
119.04992	2.2
121.02949	1.4
123.04510	2.3
124.01668	1.3
125.02438	3.6
127.04025	16.3
129.09186	1.4
131.03493	1.3
132.02190	6.3
133.02953	9.1
134.03751	100.0
135.04607	5.3
136.01643	1.6
137.02460	10.3
141.06882	1.1
143.03430	1.2
145.02937	3.9
147.04515	8.0
148.05344	4.9
149.02412	1.0
149.06065	12.2
150.03192	1.1
151.00357	1.3
151.03958	2.8
152.01120	2.3
157.05215	1.1
158.03691	3.7
160.01668	32.4
161.02464	10.9
161.04521	2.6
161.05966	0.9
162.03162	1.8
163.03972	3.4
163.07698	1.0
165.05556	1.4
167.03496	1.0
168.00520	2.8
173.06038	3.5
175.04001	49.3
176.04770	25.2
177.01900	6.9
177.03902	1.2
177.05357	1.5
178.02724	8.7
179.03549	4.7
179.07101	1.9
179.64632	1.1
180.03815	1.1
190.02676	3.1
191.03502	1.3
191.05754	1.9
191.07140	32.5
192.04263	3.1
192.07483	1.3
193.05054	94.5
194.05388	5.6
199.78955	1.1
205.05038	4.7
207.06606	12.8
211.07565	2.2
220.03709	4.0
221.04533	1.4
235.06102	76.9
236.06354	4.4
249.04074	1.2
263.07538	1.1
265.07162	17.7
266.07416	1.9
295.08185	17.3
307.10306	57.7
308.10605	4.7
322.62564	1.2
337.11514	1.3
355.10162	3.7
363.16772	1.2
424.13828	1.3
439.16043	14.1
440.16345	1.8
447.12759	2.0
483.14926	98.1
484.08994	1.3
484.15283	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1873
Annotation	Sachalinoside A
Peak:m/z	Relative Intensity
51.23727	0.2
57.03422	0.3
59.01378	1.3
61.98829	10.0
69.03450	0.4
71.01381	1.8
72.99291	0.4
73.02950	0.6
75.00874	0.3
78.95918	0.5
81.03466	1.4
83.01411	0.4
85.02960	2.5
88.98808	0.3
89.02451	0.7
93.03482	1.4
95.01389	1.9
96.96019	1.4
96.96980	0.6
99.00891	0.3
101.02470	1.2
108.02186	84.9
109.02987	33.5
110.03278	1.2
111.00827	0.3
113.02463	1.0
115.07628	0.2
117.03478	0.8
119.05056	0.3
121.02986	2.0
123.00902	1.6
123.04546	0.7
124.20670	0.2
125.02470	0.7
133.02998	0.5
134.03778	0.4
135.00925	0.6
135.04523	0.7
137.02466	0.8
139.00354	0.7
139.04007	0.4
145.02974	2.9
146.03313	0.4
151.04001	0.9
152.01167	61.1
153.01959	19.0
154.02267	0.7
161.02452	0.5
161.04640	0.5
161.06082	0.4
163.04027	1.5
165.01941	1.0
168.00629	0.2
173.04611	0.5
179.03435	0.3
185.11827	9.4
186.12149	0.8
195.02913	0.3
205.05049	0.3
232.82059	0.2
281.07108	0.3
289.07541	0.2
291.18109	0.3
297.06311	0.3
337.14960	0.6
356.77328	0.3
397.23093	0.3
423.22076	0.3
445.11469	0.8
483.18683	100.0
484.19009	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	483.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04582	0.6
57.03443	0.7
58.00574	1.0
58.03946	0.6
58.95822	0.6
59.01373	27.0
59.31199	0.6
61.98529	0.9
61.98824	14.8
68.49829	0.6
69.03450	0.9
69.09695	0.7
69.46979	6.2
71.01377	21.7
71.31372	0.6
72.99298	1.5
73.02945	2.4
75.00855	1.5
78.95925	0.7
83.01387	2.3
85.02954	6.4
87.00876	2.7
88.98826	0.8
89.01926	1.2
89.02448	18.1
89.03002	1.1
89.03954	0.8
91.01900	0.8
93.03470	4.2
95.01393	2.1
96.95987	1.4
97.06596	0.8
101.02452	15.3
108.02181	3.4
109.02975	3.7
111.00925	0.8
113.02463	8.4
117.03474	4.8
119.03521	7.1
119.05016	0.9
121.02959	1.3
123.00962	0.7
123.04531	2.2
124.01642	2.3
125.02442	5.7
127.03130	1.3
127.04017	14.4
131.03481	1.0
132.02159	3.6
133.02963	6.6
134.03749	46.2
135.04578	6.0
137.02475	6.8
143.03561	0.7
145.02934	2.8
145.07713	1.2
147.04512	2.7
148.05296	1.4
149.04959	0.9
149.06076	5.6
149.99597	1.7
150.03177	0.9
151.03981	0.8
152.01155	3.0
153.01953	1.8
160.01663	25.2
161.02470	16.4
161.04552	1.5
161.05977	1.1
162.02823	0.8
163.03976	1.8
165.05568	1.0
168.00661	3.0
173.04564	1.4
175.03998	28.4
176.04752	5.8
177.01955	1.6
177.05487	0.9
178.02682	2.4
179.03459	3.5
188.08296	2.5
191.05632	1.1
191.07118	6.8
193.05078	26.6
194.05386	2.1
207.06654	3.1
211.07594	0.9
214.09753	0.8
220.03806	1.0
221.04547	1.4
235.06119	9.5
248.62053	0.7
257.04422	1.0
259.13403	0.8
265.07162	1.0
281.06717	1.2
285.04028	0.9
287.09222	2.6
289.07135	3.1
295.08167	2.2
303.12314	1.8
307.10321	100.0
308.10654	6.3
321.11832	1.1
331.06671	1.3
397.11353	1.0
439.16864	5.6
483.15051	79.4
484.15268	8.7
498.54260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72349	0.2
60.36154	0.1
61.98829	100.0
62.98543	0.2
66.74799	0.2
72.57769	0.1
78.95906	4.4
91.12798	0.2
96.96992	0.3
98.20665	0.4
105.65639	0.2
117.08526	0.2
137.02489	0.2
150.98019	0.2
152.99600	7.6
171.00668	0.3
227.03267	0.9
245.04312	0.2
255.23286	23.5
308.99612	0.2
391.22150	0.2
483.27231	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	483.1139
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
57.03448	1.1
59.01376	5.6
61.98816	3.2
68.99816	3.4
69.03469	1.8
71.01384	8.0
71.61514	1.2
72.36053	0.8
72.99320	0.7
73.02945	3.7
74.29327	0.6
75.00890	1.6
78.43496	0.6
78.95929	1.8
80.91710	2.5
83.01419	3.1
85.02955	8.2
87.00888	4.4
89.02447	3.9
92.91792	0.6
95.01400	1.1
96.96018	4.1
96.96987	2.6
97.02991	1.4
97.88889	0.6
99.00880	6.7
101.02451	6.4
109.02972	1.3
111.00916	2.3
113.02459	10.7
113.99595	20.5
115.00404	8.0
119.03563	1.2
119.05046	9.3
121.02967	29.9
122.03336	1.0
125.02511	1.0
127.00405	4.5
129.01991	2.9
135.04533	13.3
136.04916	1.3
137.02441	0.6
139.00444	1.1
141.01897	1.0
142.21596	0.7
145.02997	2.1
153.64758	0.9
157.01460	6.8
161.04562	1.2
163.04007	11.7
163.06134	1.6
165.01981	1.1
169.01486	2.9
174.01700	19.4
175.02347	2.3
181.07187	4.8
191.05641	2.7
277.05624	42.4
278.06024	1.8
289.07220	1.0
319.06500	1.1
325.11426	7.5
337.07742	100.0
338.08148	6.3
423.09122	2.5
447.15042	28.1
448.15344	1.9
483.11368	95.2
484.11749	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	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51696	0.5
61.52579	0.5
69.60873	3.4
69.61279	1.0
78.95910	35.9
80.61753	0.6
96.96989	2.2
98.95740	0.5
148.21521	0.5
150.98021	0.9
152.99609	59.3
153.99947	1.0
171.00665	17.5
227.03246	3.5
245.04306	100.0
246.04640	2.9
253.21715	65.2
254.22073	6.8
481.25702	52.1
482.26138	6.9
509.89297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
57.36561	0.5
58.24982	0.5
59.01376	7.6
60.01728	0.5
61.98828	100.0
62.98537	0.8
63.99260	5.2
71.01379	4.3
73.02965	1.8
75.00891	1.0
81.03468	1.0
81.19167	0.5
83.01411	0.9
85.02964	2.4
85.68472	0.4
89.02435	3.1
93.03484	1.5
95.01397	0.7
96.96037	1.2
97.02969	0.6
99.00912	0.6
101.02445	4.2
102.23923	0.5
108.02184	61.8
109.02984	56.4
109.62061	0.5
110.03305	15.5
111.03468	0.7
113.02477	1.3
117.03423	0.6
119.05028	0.7
121.02966	4.3
123.00898	1.4
123.04520	2.2
124.01295	0.5
125.02445	0.7
131.03525	1.4
132.03868	0.7
133.02982	1.2
135.00893	0.6
135.04570	1.0
137.02432	1.2
143.03523	0.5
145.02971	2.0
149.04588	1.5
151.04039	1.8
152.01166	44.4
153.01959	44.0
154.02290	12.1
155.02345	0.6
155.10796	3.4
161.02444	1.1
161.04678	0.7
162.02782	0.8
163.04007	1.9
165.01933	0.6
175.03979	0.6
181.08771	0.6
191.05511	0.6
199.09814	0.8
200.88582	0.6
217.05147	0.5
235.06186	0.6
289.16678	1.4
290.16861	1.6
297.06125	0.8
325.53473	0.6
354.48019	0.5
419.09830	58.3
419.18390	7.7
420.10175	7.6
421.20621	2.7
422.21088	5.9
423.21082	0.7
481.16998	3.3
482.17474	60.5
483.09619	1.0
483.17712	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	482.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03438	0.9
58.27496	0.4
59.01374	6.3
60.71868	0.4
61.98834	3.2
68.99832	0.5
69.03455	0.7
69.98607	2.8
70.02998	0.5
71.01385	8.0
71.05024	0.6
72.99302	0.7
73.02950	2.2
75.00887	3.1
78.95906	16.9
79.01965	0.5
79.95757	1.0
81.03461	1.5
83.01393	1.5
83.05012	0.6
84.04560	1.0
85.02957	5.5
87.00865	1.1
89.02467	1.8
93.03471	2.2
94.02991	0.9
94.03778	0.6
94.98088	1.1
95.01396	1.6
95.05053	1.7
95.97625	0.6
96.33198	0.6
96.96024	41.4
96.96977	36.9
97.01714	0.8
97.02963	2.4
98.03305	0.9
98.19939	0.6
99.00903	1.9
101.02463	3.0
108.02185	47.3
109.02975	35.2
109.04070	0.8
110.02499	1.8
110.03299	2.3
112.04054	9.6
113.02457	3.3
119.03517	0.5
119.05054	1.5
120.05373	1.0
121.02976	1.8
122.06127	1.1
123.00908	2.3
123.04550	2.0
124.04066	6.3
125.02471	2.8
129.01967	0.9
135.04567	0.9
137.02480	3.1
137.20027	0.6
139.04012	5.5
140.04373	2.5
140.07170	1.3
145.02992	0.8
146.03316	0.5
151.04042	1.7
152.01167	65.1
153.01958	29.3
154.02283	4.6
155.10811	2.1
156.11145	1.7
161.02542	0.8
161.04604	1.1
163.04030	3.0
164.04442	1.2
165.01941	4.5
166.02299	1.9
166.05107	16.1
167.05479	1.2
168.00636	1.6
171.27319	0.7
173.08296	0.8
177.04010	0.9
179.03542	1.5
179.05586	0.6
183.03009	6.1
184.03383	3.0
184.06158	5.5
191.05548	2.2
200.10150	0.9
208.06090	0.7
213.11421	0.5
214.11749	0.6
217.14479	1.8
231.12589	0.6
249.06215	0.5
289.07111	0.7
301.03555	0.5
302.12244	0.8
315.07159	15.1
316.07596	5.7
320.08521	1.2
337.07928	1.0
341.08783	1.2
364.17038	1.1
423.18613	2.4
481.30005	1.7
482.13065	100.0
482.19302	6.9
482.30890	2.1
483.13373	15.2
483.20142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01376	3.4
60.99305	0.8
61.98829	51.7
63.99250	0.3
64.99932	0.2
66.77850	0.2
67.01890	1.5
69.03462	0.5
69.56374	0.7
69.56795	0.9
71.01379	2.0
72.99321	0.2
73.02948	0.4
75.00881	0.3
78.95900	1.7
81.03474	0.6
83.01382	0.2
83.05024	0.3
85.02959	0.7
87.00883	2.0
88.98820	0.3
89.02460	1.2
91.01882	0.2
91.08228	0.2
93.03465	12.8
94.03822	0.5
95.01369	0.4
95.05032	0.7
97.02975	0.2
99.00919	0.3
101.02457	1.4
102.29709	0.2
108.02210	0.6
109.02953	0.7
111.00893	0.2
111.04542	1.7
113.02470	0.7
117.03490	0.8
119.03530	0.4
119.05046	1.1
121.02974	0.6
122.03751	0.9
123.04537	72.3
124.04881	2.6
125.02462	0.8
129.01959	0.2
129.64377	0.2
131.03529	1.1
133.03038	0.5
134.03770	2.7
135.03061	0.3
135.04497	0.6
135.72966	0.2
137.02452	2.7
143.03587	0.3
145.02968	4.3
149.04575	0.2
152.01166	0.3
152.99620	2.0
153.05588	100.0
154.05943	4.1
155.03537	0.7
160.01669	0.6
161.02466	0.6
161.04524	0.3
163.04048	1.1
165.09216	0.3
173.04562	11.9
174.04852	0.4
175.04036	1.1
177.01938	0.7
178.02711	0.5
178.99911	0.3
179.03400	0.4
179.05544	0.3
183.10309	0.7
191.05647	0.5
193.05130	0.3
229.08745	0.3
231.10225	0.3
289.16519	0.7
297.09778	0.3
307.11868	0.7
421.20679	0.5
445.15027	2.7
449.14743	1.6
450.15158	0.3
481.17224	5.2
481.22137	1.5
482.16833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52349	0.4
57.03445	1.2
58.00592	0.7
59.01379	100.0
59.80850	0.3
60.01719	0.9
61.98837	1.3
65.76376	0.3
69.32834	2.9
69.33256	0.6
71.01387	10.5
72.99316	1.1
75.00870	2.8
78.95918	1.3
81.87311	0.3
83.01419	0.5
85.02959	1.5
87.00912	1.2
88.98820	0.3
89.02453	17.7
93.03491	0.5
95.01416	0.5
96.96045	0.8
96.96974	2.7
101.02455	6.2
107.03514	0.3
109.02972	1.5
111.04514	0.4
112.98029	0.3
113.02456	5.2
114.05646	1.1
117.05585	0.5
119.03513	7.5
119.05087	0.3
123.08191	2.2
125.02450	0.4
127.07673	0.4
131.03552	1.2
135.08167	0.8
136.01746	0.4
137.02457	1.9
139.00543	0.3
139.04065	1.1
143.03499	2.6
147.04593	0.4
149.04604	0.8
151.00346	0.4
153.00874	0.3
153.01973	2.0
156.06699	1.4
161.04565	2.5
164.07205	0.7
165.01932	2.1
165.09235	0.7
179.05630	9.9
183.03065	0.5
183.10283	0.4
188.63065	0.3
193.12421	0.7
213.05623	1.1
241.05042	4.6
242.05478	0.7
256.07355	3.4
257.07684	0.4
271.09760	8.7
272.10028	0.7
319.11932	1.4
343.12277	0.4
421.20786	2.9
422.20813	0.4
445.13943	0.4
481.09729	0.7
481.16165	0.5
481.22940	2.2
482.23416	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03445	1.0
59.01386	3.5
61.98836	0.8
69.03465	1.3
70.43934	0.6
71.01382	5.4
73.02947	1.9
75.28053	0.4
81.03479	1.3
81.82968	0.5
83.01376	0.7
83.39333	0.5
85.02952	3.9
87.17030	0.5
89.02459	1.9
93.03481	0.6
95.01408	2.7
96.14394	0.5
99.00919	0.6
101.02457	4.4
108.02190	56.2
109.02976	44.1
109.57449	0.4
110.03312	1.1
113.02477	2.7
121.02965	0.8
123.00880	2.1
124.43654	0.5
125.02480	0.7
131.03508	0.7
135.00870	0.8
139.11327	2.4
145.02966	1.0
151.04114	0.9
152.01178	61.8
153.01973	16.1
154.02325	0.9
161.04567	0.9
163.04004	1.2
165.01964	0.7
183.10274	2.5
226.04163	0.5
250.87138	0.5
289.16586	2.9
291.03189	0.5
315.07211	1.8
319.62888	0.6
421.20697	4.7
422.20984	1.2
481.17139	100.0
482.17511	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	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43760	0.2
59.01391	0.4
61.98818	0.8
69.63121	2.1
75.00873	1.1
79.12971	0.2
80.61078	0.2
80.70692	0.2
101.02409	0.3
109.02970	0.4
124.54789	0.2
134.03757	0.5
136.01668	1.3
137.02390	0.3
139.03995	0.5
151.04036	0.8
153.01910	0.5
154.44730	0.2
169.06737	0.3
185.06047	1.1
195.04517	1.0
197.06104	0.7
199.04059	0.4
212.04826	0.8
213.05574	9.4
214.05988	0.5
223.04030	1.8
224.04695	1.3
239.03558	0.4
240.04372	0.8
241.05054	59.9
242.05362	4.2
256.07391	41.8
257.07675	3.1
267.93280	0.2
271.09729	100.0
272.10062	7.7
319.11847	20.0
319.15720	0.4
320.12280	1.7
345.08398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98835	0.9
65.55531	0.3
69.53195	0.6
69.53631	1.6
71.01388	0.4
75.00893	1.3
77.53330	0.3
80.79043	0.3
85.02956	0.3
91.88758	0.2
96.44126	0.3
107.16579	0.3
134.03743	0.6
136.01711	1.5
137.02483	0.4
139.04008	0.4
151.04066	1.3
161.04576	0.3
185.06113	1.2
195.04514	1.3
197.06076	0.5
212.04758	0.9
213.05576	10.3
214.05951	0.6
218.97078	0.2
223.03958	1.8
224.04782	1.6
239.03503	0.5
240.04309	0.7
241.05057	58.8
242.05411	4.3
256.07401	45.4
257.07751	4.0
271.09729	100.0
272.10089	9.3
294.29623	0.4
319.11856	22.9
320.12180	2.5
393.87262	0.3
399.12772	0.3
421.20193	0.3
462.24826	0.3
480.28098	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27090	0.5
57.03434	1.6
58.00579	0.7
59.01378	10.0
60.99292	0.8
61.98823	5.5
67.01880	0.7
69.03445	0.8
69.40320	5.0
69.40723	1.2
70.35495	0.6
71.01042	0.8
71.01387	7.6
72.99272	1.4
73.02939	3.4
75.00876	9.2
80.60347	0.5
83.01389	1.5
84.34007	0.8
85.02947	6.9
87.00884	6.8
88.98811	2.1
89.02445	3.3
93.03475	5.6
94.98055	0.8
95.01385	2.4
97.02953	1.3
99.00854	1.4
101.02454	3.4
109.02959	2.0
111.04546	1.2
113.02467	2.4
117.03492	2.2
119.05045	2.9
121.03054	0.8
122.06166	3.0
123.04572	1.1
124.07699	1.0
125.02448	2.6
125.09735	1.3
127.04003	1.1
127.24744	0.7
129.01903	2.0
133.03009	0.7
135.02989	0.7
135.08125	1.0
136.07712	2.8
137.02466	1.9
137.09737	6.6
138.10141	0.8
139.00409	0.7
145.02966	15.6
146.03319	0.7
151.03961	0.8
152.03458	0.7
153.01962	3.4
155.10796	100.0
156.11150	7.1
157.11308	0.8
159.03078	0.8
159.04539	0.7
160.01733	0.7
161.02504	0.9
161.04544	0.6
161.06157	0.8
162.24857	0.7
163.04004	2.5
168.06685	1.2
173.04578	5.4
177.04070	5.3
181.07205	1.3
181.08679	0.7
185.11868	2.4
187.04048	1.1
187.07677	4.3
187.09746	2.2
191.05626	51.8
192.06003	2.3
199.09767	42.5
200.10112	3.4
201.10217	1.1
202.06407	2.3
205.05133	1.3
205.56279	0.6
213.09370	0.6
215.07184	0.9
231.10338	2.4
234.81813	0.6
257.08093	1.5
275.09305	2.2
285.12473	1.6
289.10733	1.4
317.12424	1.2
319.12836	1.5
335.13495	1.6
363.16614	32.8
364.17007	3.4
449.14682	2.2
481.19116	55.6
481.26801	9.3
482.19388	8.5
482.26593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68612	0.2
59.01379	2.2
61.92394	0.3
61.98832	100.0
69.03489	0.3
70.99849	0.3
71.01368	0.7
71.64357	0.6
78.95925	0.9
84.34965	0.3
89.02479	0.4
89.36670	0.3
101.02449	0.3
101.39313	0.3
109.02989	0.6
121.02970	0.3
123.04540	0.4
125.02492	0.9
136.05292	0.4
137.02455	1.3
146.39601	0.3
152.99593	0.4
165.01945	1.4
165.09247	0.4
167.03566	0.5
170.52859	0.3
175.07751	0.4
201.41650	0.3
203.07162	0.3
480.21338	0.4
480.34323	1.0
481.18240	0.7
481.31400	1.2
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
52.28853	0.1
59.01376	3.6
61.98829	100.0
69.58958	1.3
71.01395	1.4
72.97087	0.1
73.02937	0.3
75.00892	0.2
85.02963	0.7
89.02447	1.0
93.03484	0.3
98.20654	0.2
99.00887	0.2
101.02455	1.3
102.29188	0.2
108.02189	0.6
109.02964	2.0
113.02463	0.5
114.90121	0.2
125.02448	0.2
131.03529	0.6
137.02522	0.2
145.02972	0.2
149.04585	0.5
152.01170	1.1
153.01932	1.2
161.02402	0.2
168.05832	0.2
175.04095	0.2
191.05656	0.3
289.16583	1.1
316.45261	0.2
316.48911	0.2
406.11209	0.2
408.92346	0.2
421.20734	2.7
469.33514	0.2
481.17099	2.9
489.00266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98829	100.0
65.56998	0.2
69.27930	1.4
69.28345	0.6
71.01389	0.3
121.36820	0.2
122.14751	0.2
143.14510	0.2
201.04146	0.2
204.14630	0.2
481.17130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47449	0.2
59.01358	0.4
61.98829	100.0
62.98532	0.2
69.45304	0.3
69.45719	1.2
88.82510	0.2
98.19946	0.4
100.18635	0.2
121.02961	2.5
135.04492	0.2
145.03044	0.2
147.27092	0.2
161.02557	0.2
186.52827	0.2
212.78694	0.2
251.43195	0.2
313.12448	0.2
417.12119	0.2
425.61310	0.2
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
59.01373	0.3
61.98826	100.0
62.98548	0.2
69.46604	1.5
69.46989	0.3
72.52596	0.2
79.67226	0.2
80.03878	0.2
93.03473	0.5
97.36029	0.2
101.02470	0.3
104.29081	0.2
173.04515	0.3
175.03981	0.5
279.32556	0.2
481.17331	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0982
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
50.13800	0.3
55.01859	0.3
57.03453	0.5
59.01377	4.4
61.98515	0.5
61.98830	6.3
65.89438	0.3
67.01874	0.4
68.99844	0.4
69.03470	0.8
69.60071	1.5
69.60488	1.1
71.01382	3.0
71.05019	3.2
72.99313	1.0
73.02963	1.5
75.00878	19.1
77.03983	1.2
78.91888	0.7
78.95901	0.8
81.03474	0.4
83.01384	1.6
85.02962	1.0
87.00900	0.6
89.02448	2.3
89.20307	0.3
93.03482	1.5
95.01395	0.6
95.05032	3.7
97.02957	7.8
97.06590	0.5
99.00909	0.5
101.02464	1.5
108.02176	1.6
109.02965	42.1
110.03314	1.1
113.02466	1.1
115.04023	1.2
119.03590	0.4
121.02966	11.8
122.03290	0.5
123.00932	0.5
123.04522	0.4
125.02451	0.6
134.56718	0.3
137.02460	22.2
138.02786	0.6
139.04028	36.7
140.04379	1.5
141.05643	0.7
149.09717	0.5
152.01147	0.8
152.73427	0.4
153.01950	66.7
154.02229	2.1
155.10782	0.3
161.04617	0.4
163.03973	0.9
165.01944	100.0
166.02278	4.1
167.10794	0.8
177.03963	0.5
179.05701	0.6
183.02995	26.1
184.03387	0.7
189.05594	0.9
191.05624	0.4
231.06613	0.9
275.05585	7.8
276.05963	0.8
287.10501	0.4
301.03531	5.6
315.07211	5.9
319.04596	7.9
320.04987	0.8
345.08246	0.9
359.07516	0.9
421.20984	2.0
437.10785	1.3
463.08731	0.9
481.09802	21.0
481.18845	2.0
482.09534	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
60.06591	0.3
61.98830	12.2
69.03434	0.6
69.41724	2.1
71.01392	1.4
73.02952	0.5
80.02674	0.3
81.03473	0.8
85.02950	0.9
89.02444	0.5
91.01899	0.7
93.03477	0.4
95.01391	0.6
98.20679	0.6
101.02484	0.8
108.02187	15.7
109.02965	100.0
110.03291	3.1
123.00874	2.7
123.04551	0.9
125.02431	0.3
131.03557	0.5
137.02464	0.3
139.11298	0.3
145.03020	0.5
148.78783	0.3
149.04526	0.4
150.59987	0.3
151.03972	1.1
152.01172	18.8
153.01956	72.3
154.02304	2.6
163.04025	0.5
165.01874	0.3
175.04097	0.3
183.10237	0.6
195.03075	0.4
289.16522	0.6
297.06229	1.2
315.07269	1.3
419.09729	1.5
421.20734	1.7
422.20923	0.4
445.15134	0.6
449.11688	0.3
481.17130	92.7
482.17462	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	480.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42237	0.1
59.01371	4.9
61.98826	100.0
62.99267	0.1
67.55146	0.1
69.90024	0.2
71.01392	1.3
71.59457	0.3
72.00755	0.2
73.02950	0.4
75.00886	0.2
85.02969	0.6
87.00858	0.2
89.02435	0.8
91.01878	0.2
93.03508	0.1
99.00934	0.2
101.02454	0.9
102.58765	0.1
103.43760	0.1
108.02181	1.7
109.02956	6.8
113.02480	0.4
123.00955	0.2
131.03561	0.3
134.12961	0.2
137.02501	0.3
138.02083	0.2
141.96718	0.2
145.02979	0.4
149.04584	0.3
152.01180	1.6
153.01949	4.3
153.03128	0.3
155.10840	0.2
160.01564	0.1
161.04597	0.3
175.03967	0.2
191.63196	0.1
216.16809	0.2
229.70560	0.2
233.19135	0.1
257.26639	0.1
289.16696	0.5
318.17087	0.2
331.17664	0.4
373.18527	0.2
396.85596	0.2
421.20807	2.6
480.08130	0.2
481.17068	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	480.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21069	0.2
58.39718	0.2
59.01375	1.9
61.98828	100.0
62.98526	0.3
63.99248	0.4
69.89260	0.9
69.89661	0.4
71.01388	1.2
71.06668	0.2
72.99324	0.3
73.02956	0.3
75.00872	0.8
78.95914	0.5
85.02966	0.6
87.00914	0.4
89.02471	0.8
93.03467	0.3
97.06594	0.3
101.02480	0.5
108.02217	0.4
109.02982	0.5
109.60471	0.2
113.02469	0.3
117.38115	0.2
119.03526	0.3
119.05071	0.4
121.02959	0.5
123.00873	0.3
123.04531	0.3
125.02457	0.6
127.07706	0.3
135.04568	0.4
137.02498	0.6
139.04012	0.4
151.04065	0.3
153.01982	0.7
155.10782	0.9
161.02495	0.4
161.04524	0.3
163.04059	0.3
164.01138	0.2
165.02029	0.3
171.10292	0.3
177.02020	0.3
177.04059	0.3
179.03523	0.2
183.03003	0.3
189.05602	0.3
191.05499	0.3
199.09808	0.5
231.06601	0.7
255.83203	0.2
278.56827	0.2
286.04953	0.3
287.09320	0.2
288.09689	0.6
297.64310	0.2
301.07208	0.7
315.07236	0.4
318.10669	0.8
318.96375	0.2
363.16537	0.5
368.90814	0.3
480.11887	0.3
481.12680	0.8
481.19339	2.2
481.30371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29159	0.2
51.20093	0.2
59.01378	1.8
61.98829	100.0
71.01386	1.4
72.99329	0.4
73.02962	0.6
74.05642	0.2
75.00889	0.7
78.95918	0.7
85.02981	0.6
87.00904	0.2
88.80376	0.2
89.02462	0.9
93.03468	0.4
97.06590	0.5
99.00899	0.3
99.03185	0.2
101.02480	0.7
108.02178	0.3
109.02991	0.8
113.02469	0.6
119.03500	0.3
119.05039	0.7
121.02979	0.4
125.02460	0.9
127.07674	0.4
129.64935	0.2
129.95924	0.2
134.16986	0.2
135.04536	0.2
137.02481	0.7
139.04062	0.4
141.05585	0.3
153.01965	0.7
155.10815	0.9
161.02492	0.4
163.04051	0.7
165.01959	0.6
179.03615	0.3
189.05550	0.2
191.05661	0.5
199.09790	0.5
218.67885	0.2
231.06671	0.5
246.83789	0.2
253.24501	0.2
288.09528	0.3
301.03839	0.2
301.07047	0.5
315.07394	0.3
318.10751	0.6
421.21121	0.3
481.13190	0.5
481.19070	2.1
481.30307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03430	1.6
58.00580	0.7
59.01378	11.9
61.98832	4.8
69.03459	0.8
71.01382	7.4
71.61865	0.5
71.62251	0.5
72.99298	1.2
73.02951	5.0
75.00867	1.0
81.03472	0.3
83.01380	1.1
83.05039	0.4
85.02956	4.4
87.00869	1.1
87.04520	3.8
88.98824	0.4
89.02454	4.9
95.01403	0.8
95.05034	0.6
97.02952	1.1
99.00896	1.1
99.04513	0.4
101.02454	5.5
109.02950	1.2
109.06628	0.3
111.00935	0.5
112.04063	0.4
113.02480	3.1
117.03473	1.0
117.05574	1.4
119.03514	1.4
119.05045	1.4
123.04557	0.7
125.02470	1.8
125.09717	0.6
129.52356	0.4
131.03505	1.0
133.02933	0.4
135.00862	0.3
135.04567	0.6
135.06651	3.6
135.08176	3.4
137.09735	12.8
138.05629	0.4
138.10063	0.6
139.11307	2.2
139.28563	0.3
141.01955	0.8
143.03468	1.0
145.02979	3.8
149.02461	0.6
149.04614	0.4
151.00420	0.6
151.03955	0.4
153.01901	1.1
155.10793	87.9
156.11116	3.8
159.03012	0.4
160.01640	0.8
161.02469	0.8
161.04582	2.6
161.05801	0.6
163.04048	1.3
165.01938	0.7
166.02682	0.4
169.12383	1.4
169.13945	0.3
173.04622	0.4
173.11507	0.3
175.03975	0.5
178.99831	0.5
179.10799	0.5
181.08705	2.7
181.12369	0.5
183.10223	2.6
185.11848	1.2
187.09798	0.5
191.05640	1.4
191.10808	0.4
193.01501	0.7
199.09763	24.6
200.05000	0.4
200.10136	1.4
203.07333	0.4
205.05016	0.9
213.11285	0.9
235.06291	0.3
241.10805	3.5
243.12271	0.5
247.06200	0.3
253.09422	0.7
265.07190	1.2
281.06879	0.5
289.07108	0.4
297.11963	0.5
317.03156	0.6
317.06732	1.7
325.09296	0.4
347.17197	0.9
361.14798	1.7
367.10425	1.8
461.20233	0.4
479.21429	100.0
480.21741	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	480.078
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79347	0.2
57.03431	0.3
58.69787	0.2
59.01374	5.7
61.98827	100.0
65.98141	0.2
69.43503	0.8
69.43926	1.3
71.01383	2.2
73.02946	0.6
83.01415	0.4
85.02951	1.1
89.02456	0.9
93.03485	0.6
98.20663	0.4
101.02466	1.4
101.16116	0.2
109.02965	0.4
113.02477	0.8
117.03474	0.3
119.03539	0.3
125.02450	0.5
131.03484	0.6
137.02499	0.4
142.72476	0.3
145.02966	1.0
151.00398	0.3
161.02469	0.3
161.04596	0.3
163.00447	0.4
171.43968	0.2
173.04565	0.2
191.05605	2.7
217.33263	0.3
223.58734	0.2
227.03474	9.4
228.03949	0.9
229.05104	0.5
238.18877	0.3
239.16495	0.3
240.16815	0.5
255.02968	13.6
255.19640	0.6
256.03552	2.2
256.20026	0.7
257.04407	0.4
257.17566	1.6
258.17834	1.2
284.03244	15.7
285.03995	11.8
286.04379	0.9
289.16547	1.1
295.10654	0.3
408.70273	0.3
417.08249	25.8
418.08600	4.1
418.25470	0.3
419.22873	0.7
420.23300	1.4
437.14493	0.3
462.23935	0.3
479.25021	3.0
479.31461	0.4
480.18393	0.5
480.25235	9.3
481.17297	0.6
481.25146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03434	1.5
58.00583	1.8
59.01379	16.0
61.98832	16.2
65.00328	0.8
69.03445	1.0
69.79162	1.7
69.79575	2.2
71.01384	8.5
72.99313	2.3
73.02952	6.5
73.13490	0.5
75.00878	8.7
81.03461	1.1
83.01392	1.4
83.05057	0.8
85.02956	4.5
87.00894	2.9
87.04523	5.8
88.98819	0.6
89.02460	4.6
91.01895	0.7
93.03469	0.8
93.63201	0.5
95.01383	0.8
97.02976	1.3
98.56094	0.5
99.00890	2.1
99.04523	0.6
101.02451	8.1
107.01447	0.8
108.02185	6.9
109.03011	6.1
109.06594	0.6
110.03312	1.8
111.03606	0.7
111.04536	0.6
113.02454	2.4
115.00329	0.5
116.92836	1.1
117.03448	0.7
119.03513	1.4
119.05042	1.3
122.96378	0.6
125.02420	2.4
131.03520	1.5
132.02173	0.6
133.02936	1.9
133.40282	0.6
135.00891	2.1
135.03029	1.8
135.04539	2.3
135.08173	1.8
136.01245	0.9
137.02460	1.1
137.09740	16.7
139.07825	0.7
139.11246	1.4
139.40565	0.6
143.03502	1.6
145.02966	1.6
145.04883	0.6
151.00386	2.4
151.03975	1.2
151.11278	0.9
152.01198	5.8
153.01944	6.0
154.01419	1.0
154.02419	1.2
155.02470	1.1
155.10794	81.5
156.11101	4.3
161.02449	7.3
161.04568	1.8
162.02759	3.3
163.00366	0.8
163.02974	1.9
163.06136	2.3
165.01869	1.0
167.03485	3.0
167.10785	0.7
168.03854	2.4
169.12350	3.6
175.03941	0.7
177.04121	0.8
178.99879	0.9
179.03517	1.6
180.03845	1.0
181.08737	3.9
183.10278	1.7
185.11852	1.4
189.89026	0.7
191.05624	5.5
199.09763	42.1
200.10132	1.8
205.07179	1.1
213.11307	4.2
225.11436	0.7
229.08829	0.7
241.10815	15.7
242.11182	1.8
247.08282	1.0
251.05666	0.7
253.09305	0.9
254.98430	0.6
255.03061	0.7
271.02386	1.0
272.03180	0.7
299.01868	1.0
300.02393	0.7
301.12900	3.4
315.07254	1.9
316.07675	3.5
317.03040	0.8
317.07718	5.1
361.14969	2.5
367.02643	0.6
403.16104	2.8
419.22992	0.8
479.10873	22.9
479.17743	100.0
480.10983	2.6
480.17712	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15260	0.5
55.15905	0.5
58.00596	0.5
59.01377	6.4
59.55578	0.4
61.98833	2.6
69.51604	2.2
69.52040	1.8
71.01385	4.8
73.02951	3.8
74.85484	0.4
75.00893	0.7
85.02953	2.2
87.04512	3.3
89.02454	3.7
91.01938	0.4
93.01627	0.4
93.03462	0.9
95.05094	0.4
97.02964	0.7
99.00878	0.8
100.28979	0.4
101.02454	2.9
113.02466	1.6
119.03535	1.2
121.02974	1.6
125.02460	0.8
135.04576	0.8
135.06656	1.9
135.08162	2.1
136.01666	0.6
137.02461	2.0
137.09743	12.5
138.02837	0.8
139.11342	0.8
144.61337	0.4
149.99632	0.6
155.10797	70.3
156.11096	3.1
162.03214	1.2
163.03761	0.6
169.12361	1.5
175.50929	0.4
177.05531	0.8
179.03470	1.0
179.05624	0.7
180.03838	0.6
181.08723	2.6
199.09770	23.5
200.10135	1.6
213.11371	1.3
239.05556	0.9
241.06226	0.5
241.10808	6.5
479.21326	100.0
480.21692	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58864	0.7
55.01861	1.4
57.03447	7.3
58.00597	3.4
59.01377	56.2
60.01741	0.8
61.98828	41.3
69.03457	12.9
71.01382	45.0
71.05016	2.4
71.56847	1.0
72.01711	1.0
72.99309	4.8
73.02946	9.4
75.00874	6.2
83.01405	4.2
83.05033	1.1
85.02955	12.0
87.00885	5.1
87.04529	1.5
88.98801	0.9
89.02448	38.7
90.02805	1.1
91.01878	1.0
93.03438	1.7
95.01445	1.2
95.05030	0.8
95.13953	0.9
97.02971	3.0
97.06597	0.9
99.00902	2.3
101.02445	26.0
101.99856	0.8
103.04042	1.2
107.05025	0.8
108.02209	0.9
109.02995	1.9
109.06611	0.9
111.04552	0.9
111.08163	2.3
113.02457	14.9
113.06131	1.1
115.04033	1.9
119.02692	0.9
119.03522	12.9
119.05013	1.3
123.04561	1.6
123.08183	2.1
125.02456	3.5
125.06120	0.7
127.07697	5.5
129.01991	1.1
131.03520	4.1
133.02960	3.5
133.05067	5.4
135.04570	1.8
135.08215	0.8
137.02458	3.5
137.06110	3.1
137.09715	2.3
139.11307	29.8
143.03511	3.9
145.02963	3.0
145.05061	1.0
149.04579	2.3
151.00378	2.1
151.06136	67.2
151.11327	0.8
152.01181	1.7
152.06470	2.4
153.01959	1.0
153.09209	8.4
155.07141	3.0
155.10793	23.2
156.11104	1.8
160.01678	1.9
161.02473	12.4
161.04539	5.3
162.02802	1.2
163.04025	1.7
164.04890	0.8
165.09206	1.2
175.04004	2.1
175.06125	2.9
177.04103	1.9
178.99910	2.2
179.03529	1.2
179.05624	5.9
179.37570	0.6
181.07164	0.9
181.08794	1.0
183.10275	100.0
184.10634	4.2
185.11873	2.2
187.96199	0.8
189.05569	12.8
190.05873	1.3
191.05621	2.2
193.07167	1.0
197.08199	1.1
197.11827	7.8
198.12132	0.8
199.09760	13.9
207.10271	0.8
213.05569	1.0
225.11348	7.2
231.06712	1.1
241.10841	1.3
243.06711	0.9
255.11729	1.5
295.10330	24.1
296.10721	2.1
313.11389	73.7
314.11694	5.0
317.06647	1.5
317.12262	2.2
317.19827	0.9
318.12552	0.8
331.13794	1.3
351.10745	2.3
361.14993	4.3
363.16238	0.8
378.37192	0.7
389.13843	1.1
419.15659	1.4
435.12906	3.4
443.15585	6.0
444.15970	1.2
451.35223	0.8
479.08850	4.4
479.17572	9.8
479.22852	3.0
479.29025	1.0
480.14914	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	478.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11499	0.2
56.38190	0.2
57.03440	0.2
59.01376	2.5
61.98828	100.0
69.23107	0.3
69.23513	2.2
71.01384	1.5
73.02964	0.6
75.00886	0.7
80.05085	1.1
83.01392	0.3
85.02976	0.7
87.00885	0.3
87.04534	0.6
89.02450	0.5
92.31133	0.2
93.03463	0.2
97.02988	0.3
101.02454	0.8
101.65664	0.2
109.02970	0.4
113.02467	0.5
115.04036	0.3
119.03533	0.3
119.05017	0.2
121.02980	0.3
124.01661	0.2
124.04036	1.7
125.02455	0.4
133.05070	0.2
137.02478	0.5
137.09744	1.6
138.05615	0.4
138.10048	1.0
139.11240	0.3
145.02943	0.3
148.24834	0.2
149.99561	0.2
150.02031	0.2
155.10788	7.5
156.11133	5.6
157.11314	0.3
161.02481	0.3
161.04477	0.5
163.00407	0.4
163.04044	0.3
168.03029	2.7
169.12325	0.3
170.12683	0.5
177.04062	0.2
180.93964	0.2
181.08702	0.3
182.09061	0.3
199.09767	3.5
200.10104	3.0
201.11345	0.2
210.04176	0.5
213.11337	0.3
218.45009	0.2
241.10768	0.9
242.11119	1.4
283.11395	0.2
290.22510	0.2
301.12973	0.2
302.13177	0.4
401.17612	0.3
415.19537	0.8
418.17874	0.3
418.25342	0.3
454.18411	0.2
478.10083	0.5
478.19962	10.9
479.20587	1.9
479.31940	0.5
498.10904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08608	0.2
52.37462	0.2
54.90041	0.3
59.01377	4.3
60.01727	0.3
61.98827	100.0
63.82243	0.2
68.09952	0.2
69.66122	0.6
69.66533	1.2
71.01394	1.3
73.02972	0.6
75.00867	0.2
85.02956	0.4
87.04514	0.5
89.02468	0.8
98.19964	0.4
101.02458	1.2
102.02789	0.3
107.46158	0.2
109.76068	0.2
113.02486	0.4
115.96113	0.2
119.03452	0.2
124.61047	0.3
135.04500	0.3
137.02510	0.5
137.09766	0.9
138.10089	0.3
151.00375	0.4
155.10811	3.8
156.11118	2.6
157.11470	0.3
160.01613	0.2
161.04530	0.2
175.04042	0.2
182.09201	0.4
183.13942	0.4
199.09734	1.8
200.10120	1.3
213.11401	0.3
241.10876	0.5
242.11208	0.7
243.62157	0.3
247.23944	0.2
273.18707	0.2
287.05399	0.3
302.13263	0.2
418.25323	0.8
478.19839	6.0
479.20389	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
59.24239	0.2
60.01712	0.3
61.98830	100.0
62.98501	0.2
69.37540	1.5
69.37953	0.5
71.01387	1.2
85.02969	0.4
89.02472	0.4
99.00909	0.2
101.02487	0.8
107.05049	0.8
113.02456	0.5
115.27278	0.2
119.03506	0.2
125.02560	0.2
139.42432	0.2
141.91061	0.2
151.04039	0.4
161.04593	0.6
183.10255	0.4
208.44188	0.2
225.06165	0.2
340.18167	0.2
418.25391	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	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90904	0.7
58.99227	0.7
59.01358	1.2
61.98827	3.1
71.28756	1.7
78.95908	49.5
79.31991	0.9
80.53986	0.8
96.96975	2.8
131.26707	0.8
140.01208	5.6
152.99586	7.2
158.48355	0.9
171.00662	5.8
196.03821	10.5
214.04913	2.2
235.19392	0.9
244.12341	0.9
281.24841	100.0
282.25204	10.1
302.00253	1.0
478.29492	55.9
478.36255	8.7
479.29861	8.1
479.36932	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	479.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50521	0.4
57.03437	0.5
59.01376	7.2
61.75117	0.4
61.98831	5.7
65.00323	1.1
65.03957	0.4
69.03447	0.5
69.53851	3.6
70.72007	0.3
71.01385	5.1
73.02940	2.5
75.00877	0.9
83.01371	0.6
85.02960	3.2
87.04533	1.3
87.83292	0.4
88.98807	1.0
89.02444	3.1
91.01900	88.0
92.02242	2.5
92.02714	0.4
93.03461	5.6
97.02964	0.6
101.02465	3.2
103.47787	0.4
107.01367	0.7
107.05005	0.4
108.02212	0.5
109.02969	2.2
113.02451	1.7
119.03534	0.9
121.02947	0.5
122.15366	0.4
123.04476	0.6
125.02409	1.0
135.00896	39.8
135.06612	2.0
135.08176	1.8
136.01575	2.4
137.02469	12.5
137.09744	7.2
138.02878	0.6
138.10013	0.4
139.11270	0.5
145.03041	0.7
149.02391	0.9
151.04036	1.5
151.11278	0.5
153.01952	15.2
154.02307	0.4
155.10794	43.4
156.11174	1.9
165.01906	0.5
169.12378	1.1
175.73311	0.4
178.99867	100.0
179.03366	8.9
180.00194	4.5
180.03918	0.6
181.08655	2.1
185.11797	0.5
197.00906	8.9
199.09763	11.5
200.10068	1.0
209.04517	1.3
213.11375	1.4
221.00887	0.9
239.02083	0.7
239.05635	4.7
241.10825	3.1
297.12198	0.5
299.07794	0.8
323.04211	0.7
341.05093	1.0
359.06192	1.4
377.09799	0.5
461.07205	1.5
479.08304	88.8
479.21255	55.2
480.08609	11.4
480.14996	1.0
480.21619	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	479.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63405	0.2
55.01875	0.4
57.01540	0.3
59.01377	9.5
61.98833	4.0
70.17760	1.2
71.01381	7.9
72.99307	3.0
73.02953	0.7
74.99100	0.4
75.00893	0.7
78.95897	2.7
81.03470	0.6
83.01404	0.9
85.02958	2.3
87.00884	1.4
88.98809	1.8
89.02452	7.2
93.03488	0.4
95.01405	0.5
96.96021	4.0
96.96960	5.9
97.02963	0.4
99.00884	0.4
99.92641	0.4
101.02456	4.6
108.02182	4.9
109.02961	61.7
110.03306	2.0
113.02457	3.7
115.54893	0.3
116.92862	0.4
117.05591	1.6
118.98144	0.5
119.03526	2.9
119.05113	0.3
120.97684	0.4
121.02943	0.6
123.00911	1.5
123.04550	0.7
125.02473	0.6
126.36167	0.3
131.03510	0.5
135.00888	0.3
135.03062	0.4
137.02432	0.9
139.00328	0.3
143.03513	0.7
148.05266	0.4
151.00337	0.6
151.04056	1.7
152.01175	12.5
153.01949	79.7
154.02295	3.2
161.02493	0.4
161.04575	1.7
163.00456	0.4
163.03911	0.3
165.01933	1.0
165.05504	0.7
166.05124	0.8
167.03433	0.4
168.00682	0.5
168.04324	0.8
177.01968	1.8
178.99792	0.4
179.03653	0.6
179.05612	2.5
180.04268	0.7
181.07248	0.7
183.06584	1.0
187.04146	0.3
191.05667	0.3
192.04285	1.0
195.02974	0.6
195.06612	2.2
207.06566	0.6
218.10266	0.6
221.06712	0.6
243.08754	0.6
267.07077	0.4
287.03885	0.3
299.04657	0.4
302.97101	0.3
315.07190	100.0
316.07541	8.0
317.03058	0.5
317.08862	2.4
317.12167	0.5
325.11307	0.5
387.12830	1.1
389.13507	0.6
400.04645	0.3
405.13663	0.5
443.18033	0.9
479.13800	21.4
480.14099	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	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82729	0.2
55.01868	0.3
57.03455	0.4
58.00584	0.2
58.81503	0.2
59.01376	2.9
60.99302	0.2
61.98829	100.0
62.98512	0.2
63.99252	0.2
69.03461	0.2
69.62449	1.2
71.01382	2.7
72.01725	0.2
72.99316	0.3
73.02937	0.8
75.00883	0.6
78.85622	0.2
83.01393	0.3
85.02951	1.4
87.00901	0.4
88.98799	1.0
89.02462	2.0
90.02778	0.2
91.01906	1.9
93.03490	0.7
95.01376	0.2
98.20619	0.3
99.00898	0.5
101.02474	1.6
108.02190	1.2
109.03058	0.8
113.02470	1.0
117.03502	0.6
119.03570	0.2
119.05070	0.6
123.04581	0.2
125.02444	0.3
129.01939	0.2
131.03522	0.3
133.02969	0.5
134.03348	0.2
135.00909	1.5
135.04582	0.2
136.04939	0.2
137.02489	0.8
145.02974	3.7
146.03357	0.6
149.04649	0.3
152.01183	1.7
153.01900	1.6
153.09203	0.9
154.02393	0.2
155.10831	1.5
159.03041	0.2
161.02466	1.6
161.04578	0.5
161.05969	0.2
162.02887	0.9
163.04030	0.9
167.03601	0.3
177.04134	0.2
178.99872	2.6
179.01291	0.2
179.03514	0.3
183.10263	0.2
185.11819	0.6
189.05457	0.2
191.05721	0.4
197.08264	0.3
198.64850	0.2
199.09756	0.8
200.94237	0.2
258.05472	0.2
265.07205	0.4
289.07062	0.2
315.07184	0.5
316.07520	1.0
317.06552	1.2
317.12460	0.2
317.19885	0.2
323.04260	0.4
347.16943	1.0
361.15298	0.2
367.10574	0.8
368.10995	0.6
435.12997	0.3
441.14133	0.2
443.15509	2.0
478.10684	4.6
478.16913	0.3
479.08606	3.6
479.17795	0.7
479.22427	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07717	0.2
57.03427	0.2
59.01380	1.4
59.34583	0.2
59.64041	0.2
61.98827	100.0
68.66281	0.2
69.36691	0.2
69.36987	2.0
71.01398	1.1
72.99318	0.3
73.02950	0.3
73.67173	0.2
75.00874	2.1
84.32539	0.2
85.02972	0.7
87.00901	0.2
88.98812	0.4
89.02477	0.8
101.02453	0.7
108.02204	0.7
109.02967	0.7
113.02408	0.3
117.03471	0.2
119.03535	0.2
121.02981	1.6
122.03309	0.9
129.01968	0.7
145.02971	1.2
152.01196	0.7
153.01974	0.7
155.10785	1.2
177.04085	0.9
179.05618	0.3
199.09825	0.6
238.84270	0.2
277.09354	0.6
316.71957	0.2
322.08368	0.2
377.14575	0.8
443.15750	0.5
461.11069	0.6
478.19125	0.2
479.11896	1.0
479.17960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67390	0.1
56.50920	0.2
57.03453	0.3
59.01373	3.4
61.98828	100.0
62.98526	0.4
63.99249	0.2
69.03484	0.2
69.46151	0.8
69.46590	0.8
71.01381	3.0
72.99309	0.4
73.02946	0.9
75.00882	0.9
77.48914	0.2
83.01412	0.4
85.02956	1.0
87.00907	0.2
87.04554	0.2
88.98820	1.2
89.02449	1.7
91.01913	1.7
93.03455	0.9
95.01415	0.3
97.02976	0.4
99.00887	0.6
101.02466	1.9
108.02182	1.3
109.03023	1.3
113.02442	1.0
115.04072	0.2
117.03498	0.8
119.03544	0.4
119.04999	0.9
123.04524	0.4
125.02464	0.7
131.03496	0.3
133.03000	0.6
134.03374	0.2
135.00900	1.3
135.04533	0.4
137.02448	0.8
137.09772	0.3
145.02965	5.9
146.03319	1.0
149.04573	0.4
151.00385	0.2
151.04053	0.2
152.01160	2.0
153.01935	1.9
153.09267	1.1
154.02301	0.3
155.10780	1.8
159.03070	0.3
160.01694	0.2
161.02470	1.9
161.04599	0.6
162.02779	1.1
163.04022	1.2
164.04488	0.3
165.01976	0.2
167.03465	0.2
177.04021	0.2
178.99870	1.8
179.03577	0.2
183.10306	0.2
185.11894	0.4
189.05589	0.2
191.05795	0.3
197.08185	0.4
199.09802	1.0
205.05051	0.3
265.07312	0.3
273.01212	0.2
291.08426	0.2
311.07651	0.2
313.12244	0.2
315.07098	0.8
316.07599	1.1
317.06604	1.2
317.12436	0.3
323.04083	0.3
325.09171	0.2
341.05478	0.3
347.17197	0.7
361.15131	0.4
367.10199	1.3
368.10629	1.3
418.17026	0.2
435.13251	0.3
443.15491	3.1
461.06760	0.2
478.10608	5.0
479.08740	2.5
479.17639	0.8
479.22473	1.5
479.90402	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
57.03441	4.5
58.00586	2.8
59.01376	94.7
61.98824	17.6
63.46133	1.1
65.84885	1.1
68.04052	1.1
69.29620	1.2
71.01383	72.6
71.63497	1.3
72.01727	2.3
72.99310	4.2
73.02948	15.5
75.00867	1.4
75.17725	1.1
78.95908	2.0
83.01385	8.1
85.02956	21.1
87.00875	3.2
89.01917	2.9
89.02454	46.5
95.01398	3.4
99.00883	5.4
101.01784	2.8
101.02454	48.7
105.19447	1.2
109.02940	1.9
113.01703	2.0
113.02457	27.8
117.03519	1.7
119.03516	19.2
125.02457	4.7
131.03510	2.7
143.03534	6.6
145.02969	4.0
151.00407	2.7
152.01096	1.8
152.99586	3.0
157.82101	1.3
159.02977	3.1
161.04561	27.6
163.00385	1.5
163.03929	1.5
179.05611	12.9
185.02249	1.2
194.16403	1.2
197.11804	3.5
209.15457	1.4
255.19644	8.5
255.73186	1.2
271.06042	3.4
300.99881	7.6
301.03516	4.8
309.20651	2.3
355.22736	2.4
376.50317	1.7
417.24936	100.0
418.25293	12.7
477.10114	4.3
477.28662	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	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12190	0.5
50.59407	0.6
53.42693	0.5
55.01878	2.3
57.03450	1.2
58.00603	0.9
59.01379	100.0
60.01717	1.1
61.98499	0.7
61.98560	0.4
61.98828	21.4
69.43385	1.5
69.43806	3.2
71.01384	27.2
72.99309	0.8
73.02950	7.6
82.04143	0.6
83.01402	3.0
85.02963	10.1
87.00890	1.8
87.04562	0.8
89.02450	15.9
95.01397	2.0
98.19910	1.2
99.00880	3.2
101.02451	23.0
113.02460	13.7
119.03522	8.2
125.02486	1.0
131.03543	1.3
137.02512	0.8
137.79138	0.6
143.03497	3.7
145.03035	0.9
149.04613	0.8
159.03014	1.7
161.04567	19.7
179.05606	7.8
255.19749	1.3
304.54202	0.6
325.20316	0.6
417.24924	47.5
418.25269	6.8
434.24396	0.6
477.10327	0.6
477.23849	1.0
477.34262	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16157	0.6
55.01872	2.3
57.03437	2.2
58.00593	1.7
58.77794	0.6
59.01377	100.0
60.01706	1.3
61.98830	20.5
61.99152	1.0
63.89151	0.6
64.50638	0.6
71.01385	47.2
72.99329	2.0
73.02950	10.2
83.01389	5.7
85.02953	14.2
87.00903	2.7
87.04526	1.0
89.02449	32.9
90.02798	1.4
95.01352	3.2
97.02943	1.4
98.20646	1.6
99.00905	4.2
101.02456	39.1
108.02170	0.6
113.02457	21.7
119.03516	16.7
125.02503	2.1
129.01953	0.8
131.03540	2.2
143.03511	4.7
149.04544	1.4
159.03021	2.8
161.04575	26.5
162.04938	1.2
179.05621	18.3
179.07182	0.9
180.06050	0.5
221.06673	4.2
255.19789	2.1
296.85239	0.8
417.24927	60.2
418.25293	8.7
430.52750	0.7
477.23642	5.4
496.50052	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2856
Annotation	2-Dehydro-3-epi-20-hydroxyecdysone
Peak:m/z	Relative Intensity
59.01378	7.0
61.98824	4.8
71.30396	0.7
71.59373	0.8
73.02934	1.3
108.04014	0.6
119.04960	0.8
121.02932	1.0
125.02430	0.7
129.83859	0.6
151.00417	1.1
161.04517	0.7
168.00632	1.3
300.99844	4.8
301.03598	2.0
302.00226	1.0
315.23346	1.4
359.25833	1.2
369.83722	0.7
371.29605	7.3
372.29904	1.2
373.27536	2.2
374.80966	0.7
387.29028	4.7
387.33575	0.8
389.30579	0.9
397.27576	1.1
399.25058	1.2
415.28506	25.3
416.28806	4.2
433.24237	1.2
433.29617	12.7
434.29993	1.3
459.27563	2.3
477.10190	2.3
477.28528	100.0
478.28897	18.3
478.35886	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2132
Annotation	Divaricin B
Peak:m/z	Relative Intensity
51.94294	0.2
55.01878	0.2
57.03451	0.4
59.01376	5.9
59.59909	0.2
59.93763	0.2
61.98829	18.3
64.62679	0.2
70.83227	0.2
71.01380	2.1
72.99321	0.4
73.02952	0.7
83.01392	0.2
85.02943	0.9
87.00909	0.2
88.98812	0.4
89.02440	1.0
89.03988	0.2
93.03473	0.3
95.01427	0.2
99.00888	0.2
100.20426	0.1
101.02470	1.1
108.02221	0.3
109.02991	0.2
113.02459	0.7
116.92860	0.4
117.03479	26.4
118.03780	1.0
119.03638	0.3
119.05035	6.9
120.05375	0.4
121.02917	0.4
123.04565	0.2
125.02473	0.5
135.04559	0.3
145.02968	100.0
146.03305	5.2
151.00433	0.3
152.01173	0.2
161.02496	0.2
161.06094	0.5
163.04022	7.1
164.04359	0.4
168.00656	0.5
203.48126	0.2
205.05080	0.5
229.58289	0.2
235.06184	0.2
265.07175	0.5
278.08688	0.2
417.24130	0.7
477.21252	57.2
478.21591	8.3
478.26901	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03452	4.3
58.00588	4.3
59.01381	100.0
60.99287	1.0
61.98837	10.5
71.01389	62.2
72.01727	1.1
72.99307	6.0
73.02960	5.5
74.07145	0.9
75.00880	9.0
78.95924	1.5
83.01408	3.3
85.02970	15.4
87.00888	3.8
88.98829	5.0
89.02457	65.9
90.02781	1.5
91.01903	4.9
93.03494	1.5
95.01408	4.2
95.89825	1.0
96.96046	1.5
97.02946	1.8
99.00930	1.8
101.02460	32.7
101.03107	1.9
102.02801	1.5
106.98165	1.6
108.87955	0.9
109.02955	1.7
113.02467	21.7
116.92872	2.4
119.03524	28.8
121.02967	1.2
125.02454	2.8
131.03535	3.4
133.02977	2.6
133.06401	1.1
134.03273	1.0
135.00902	3.0
135.04570	1.7
137.02490	2.3
143.03488	5.9
149.00749	1.2
149.04553	2.7
151.00356	5.5
151.04103	1.2
153.01947	4.4
153.05548	1.3
153.09265	0.9
161.02484	7.7
161.04553	12.6
162.02808	3.2
163.02953	1.9
163.11281	1.7
167.10883	1.0
169.01447	2.8
175.02504	1.3
177.04076	1.2
178.99864	4.7
179.05640	15.0
181.12428	1.6
195.05101	1.2
209.04570	1.1
213.10367	4.8
243.16020	4.1
255.12463	1.7
259.19656	1.1
281.06720	1.5
301.00021	1.7
343.10461	4.3
343.14117	1.4
357.11490	1.2
405.21323	84.5
406.21640	10.7
417.21851	1.9
477.11707	8.5
478.13382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2133
Annotation	Divaricin B
Peak:m/z	Relative Intensity
55.01893	0.4
57.03452	0.7
58.00605	0.5
58.22604	0.2
59.01379	16.3
60.01706	0.6
61.01808	0.7
61.98830	25.6
65.00299	0.3
69.70484	0.2
71.01383	6.5
71.60006	0.4
72.01734	0.4
72.99319	1.1
73.02949	1.9
75.00873	0.6
81.03469	0.4
81.44963	0.3
83.01400	0.8
85.02957	2.9
86.03302	0.3
87.00912	0.7
88.98807	0.3
89.02444	4.7
90.02785	0.4
91.01904	2.3
91.02865	0.2
93.03487	0.6
95.01425	0.5
97.02982	0.3
99.00896	0.6
101.02441	4.5
102.02824	0.5
103.02893	0.3
103.04034	0.7
108.02187	0.8
109.02961	1.0
113.02467	2.7
115.04027	0.3
117.03481	25.1
118.03815	0.9
119.03568	1.9
119.05029	6.6
120.03822	0.4
120.05370	0.3
121.02955	0.5
123.04531	0.6
123.80588	0.2
125.02502	1.2
128.04337	0.3
131.03499	0.5
135.00891	0.9
135.04541	1.1
137.02495	0.4
143.03519	0.6
145.02971	100.0
146.03308	4.9
147.04526	0.4
149.06104	0.5
149.99617	0.5
151.00424	0.5
152.01053	0.3
153.01936	0.7
155.10811	0.3
161.02448	0.4
161.04619	1.5
161.05943	0.4
163.04037	7.1
163.06076	2.1
164.06473	0.7
165.06555	1.1
165.12907	0.3
167.03465	0.4
167.10785	0.8
168.00627	0.6
168.11133	0.5
177.01915	0.5
178.99887	2.6
179.05612	1.1
179.10777	0.4
183.13908	0.3
191.10861	0.3
205.05040	0.7
205.07045	0.5
247.08224	0.3
248.08530	0.3
249.08717	0.6
255.19682	0.3
265.07040	0.6
300.99896	0.3
305.81635	0.3
417.25089	3.7
418.24988	0.3
435.10651	0.5
477.10184	3.3
477.21219	53.6
478.10629	0.6
478.21622	8.7
478.28549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01458	0.4
57.03443	0.6
58.00593	1.6
59.01377	15.7
60.01696	0.7
61.98828	26.5
70.91990	1.0
70.92448	0.3
71.01385	6.4
71.04992	0.6
72.01734	0.5
72.99328	0.5
73.02951	4.5
85.02966	1.7
85.50749	0.4
87.00893	0.5
87.04519	5.8
89.02449	3.7
95.01376	0.5
97.02976	0.8
101.02450	5.7
101.62813	0.4
109.06609	0.5
113.02482	2.6
119.03493	2.1
121.02986	1.1
125.02483	0.5
126.88984	0.4
133.05070	4.1
135.04518	0.7
135.08180	1.8
137.02473	0.5
137.09731	17.3
138.10085	0.7
139.11304	1.2
143.03548	0.6
151.11339	0.7
155.10794	93.2
156.11145	4.9
161.04562	1.1
167.10713	0.5
169.12350	4.7
179.05640	1.2
181.08705	4.6
183.13899	1.2
185.11880	0.7
195.51111	0.4
197.11841	0.5
199.09763	49.1
200.10121	2.7
213.11310	6.5
221.78772	0.5
241.10809	21.1
242.11140	1.3
271.11795	1.3
272.02878	0.8
273.03079	0.9
300.02560	0.9
301.03308	1.1
301.12973	5.4
302.03500	2.0
303.04059	0.9
350.42203	0.4
361.14960	2.2
417.25009	3.8
477.10211	3.1
477.19727	100.0
478.20044	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	477.199
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69150	0.3
59.01375	1.9
61.08966	0.3
61.98826	1.4
69.03461	2.1
69.48792	2.2
69.49195	0.6
71.01371	1.8
73.02945	1.7
79.01885	0.4
81.03474	0.7
83.01402	1.1
85.02963	2.3
87.00867	0.6
87.04528	1.2
89.02428	0.5
93.03478	0.4
95.01388	1.4
97.02965	2.2
98.20661	0.6
101.02451	1.7
107.01417	1.0
108.02191	0.8
109.02957	0.9
113.02467	0.9
115.04082	0.4
117.03489	5.1
118.03796	0.5
119.05050	5.7
121.02982	0.6
123.00900	7.8
123.04508	0.3
124.01684	14.8
125.02464	32.2
126.02813	1.1
133.02911	0.3
135.04619	0.4
135.08208	0.6
136.01671	0.7
137.02489	1.8
137.09734	3.7
139.03976	0.5
145.02965	21.4
146.03326	1.3
149.02490	0.3
149.99603	29.2
151.00351	2.0
151.04100	0.4
152.01134	0.8
153.09172	0.4
155.10793	24.3
156.11133	1.5
156.51733	0.3
161.02588	0.6
161.04590	0.4
163.04022	3.9
163.33995	0.3
167.03481	0.9
168.00655	63.6
169.01370	5.7
169.12402	0.7
170.01802	0.5
181.08710	1.2
193.01588	0.4
199.09760	12.6
199.11615	0.7
200.10088	0.9
213.11320	0.7
241.10812	3.1
269.04239	0.4
271.11722	0.4
301.12881	2.4
307.08258	1.3
313.05640	4.0
331.06705	22.7
332.07037	1.8
361.15109	1.6
365.37912	0.3
403.16110	13.8
404.16547	1.5
417.17694	1.9
459.09528	0.7
477.10339	100.0
477.19363	8.6
478.10718	15.7
478.19641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.0
58.00585	1.9
59.01377	75.6
61.98827	14.2
63.10179	0.8
65.00340	4.9
66.91929	0.9
67.01867	0.9
71.01384	46.8
71.63256	1.4
72.01715	1.1
72.99325	4.7
73.02954	4.7
74.99074	0.9
75.00855	2.8
83.01395	8.0
85.02957	11.7
86.05978	0.9
87.00881	5.3
88.98804	1.6
89.02451	57.2
93.03472	4.4
95.01394	4.6
96.32298	0.9
96.57774	0.8
96.96955	1.5
97.02921	1.2
99.00864	2.2
101.02454	29.0
105.01920	1.5
107.01398	12.3
109.02935	1.4
113.02461	19.2
118.98062	2.3
119.03513	24.8
121.02944	1.6
123.04552	4.7
125.02457	10.1
131.03487	3.5
136.04054	1.0
137.02428	2.8
138.05606	1.2
141.01949	1.4
143.03535	5.7
149.04547	2.4
149.09705	4.0
151.00391	100.0
152.00702	3.0
153.01909	2.2
153.05557	2.9
161.02406	1.0
161.04562	8.5
163.02843	1.0
164.03511	4.4
167.03543	1.3
167.10783	6.4
169.01440	75.2
170.01730	3.2
179.05630	17.1
181.08638	1.4
181.12335	1.2
211.00702	1.1
211.06166	1.3
221.06664	1.8
242.00250	0.9
243.16020	2.2
272.63126	0.9
300.99725	3.1
323.09818	7.2
350.09903	1.7
351.90048	1.0
405.21277	40.1
406.21564	4.3
411.21680	1.0
417.17645	3.7
477.12390	74.7
478.12329	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	477.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41232	0.7
59.01371	10.7
61.98830	4.6
69.03452	1.6
71.01378	6.3
73.02920	1.3
82.95308	0.7
85.02953	2.5
89.02446	2.8
91.01899	0.9
93.03462	42.7
94.03800	1.8
95.01389	3.2
96.18656	0.7
97.02968	1.4
101.02451	4.4
101.99210	0.7
107.05042	2.4
108.02203	2.2
109.02975	1.2
113.02445	3.7
117.03479	1.6
119.05042	1.9
121.02971	2.2
123.00875	1.7
123.04529	1.4
124.01691	3.6
124.72505	0.8
125.02455	8.2
134.03773	1.4
135.04526	4.4
136.01680	19.2
137.02455	100.0
137.09770	1.3
138.02786	2.8
145.02979	2.8
149.02429	2.9
149.99591	5.4
151.04022	10.0
153.01926	1.2
155.10791	7.5
161.02455	2.9
162.03232	48.7
163.04012	14.7
164.04399	0.9
165.05559	1.3
168.00658	11.9
169.01334	1.2
177.05568	48.3
178.05902	3.1
179.00041	2.4
179.03502	78.0
180.03822	3.5
199.09782	3.0
209.04547	24.5
210.04837	1.0
239.05589	78.2
240.05911	3.4
281.06711	1.0
299.07675	27.4
300.08179	1.9
331.06720	3.5
359.13580	1.6
459.09332	0.9
477.09790	9.9
477.14267	18.9
478.10037	1.1
478.15298	1.8
484.19617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03453	1.8
58.00602	1.3
59.01380	9.6
60.01711	0.3
61.98830	30.6
64.39937	0.3
68.09917	0.3
69.03484	0.6
69.47690	2.4
71.01374	5.2
71.05047	0.6
71.93307	0.3
72.99296	0.5
73.01767	0.3
73.02943	4.7
75.00876	0.5
81.03472	0.5
83.01407	0.9
85.02938	2.1
87.00881	0.8
87.04523	7.6
89.02456	2.0
97.02964	1.2
97.06586	0.4
98.20668	0.3
99.00894	0.4
99.04565	0.5
101.02450	5.0
113.02460	1.4
115.03988	0.5
117.03489	0.6
119.03532	0.6
119.05011	0.5
121.03014	0.4
123.00935	0.4
124.01669	0.9
125.02464	2.2
127.57322	0.3
133.05084	3.8
133.10291	0.4
135.08180	2.1
135.11839	0.5
137.02510	0.4
137.09737	19.6
138.10089	1.3
139.11313	1.6
143.03445	0.4
145.02959	1.2
149.99619	1.0
151.11307	1.2
155.10793	100.0
156.11128	5.0
160.01695	0.8
161.02373	0.7
161.04556	0.7
167.10776	0.6
168.00688	1.7
169.12341	4.6
175.03972	2.1
176.04321	0.5
179.03458	0.5
179.10741	0.5
181.08710	4.5
183.10197	0.4
185.11769	0.6
197.11852	0.6
199.09761	57.2
200.10126	2.8
211.09650	0.3
213.11328	5.8
214.11655	0.4
223.09674	0.5
241.10797	22.4
242.11133	1.0
271.02585	0.4
271.11798	1.4
301.12888	7.7
302.12872	0.5
313.06232	0.4
331.06708	0.6
361.14896	2.8
415.19675	0.8
417.24265	1.1
477.19662	99.7
478.10217	0.5
478.20074	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	477.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71359	0.4
57.03437	1.2
59.01375	12.2
61.98827	3.0
69.03448	0.9
69.61964	3.0
71.00999	0.8
71.01385	13.3
72.99304	1.0
73.02934	2.2
74.99070	0.6
75.00867	2.0
78.95899	0.9
81.03455	1.2
83.01389	1.5
85.02960	4.4
87.00882	1.8
89.02449	8.5
93.03477	3.2
95.01393	2.0
96.96022	0.8
96.96963	1.2
97.02953	0.7
99.00875	1.2
101.02454	7.2
108.02185	29.9
108.95409	0.4
109.02979	18.3
110.03337	1.0
113.02470	3.4
116.92863	0.9
117.01998	0.4
118.98100	5.3
119.03515	3.2
121.02959	1.6
123.00884	1.6
123.04518	0.8
123.96056	0.5
125.02443	2.2
129.01938	1.3
133.01462	1.1
135.04491	0.8
137.02460	5.8
143.03441	0.9
151.04042	2.1
152.01166	44.6
153.01961	17.7
154.02188	0.6
159.02921	0.5
161.02481	1.1
161.04555	1.4
162.02740	0.5
163.04013	1.2
165.01881	1.2
168.00565	1.2
177.04092	4.8
179.03526	0.6
179.05647	1.0
195.02979	1.0
235.43579	0.5
256.08264	0.5
295.10379	5.6
297.05951	0.5
300.99976	1.0
315.07141	3.3
372.56393	0.5
446.68298	0.5
477.12457	100.0
478.12766	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.5
59.01382	4.7
61.98833	0.9
62.30133	0.4
69.03449	0.9
71.01385	4.7
71.41269	0.8
72.99308	0.5
73.02934	0.8
74.99107	1.3
75.00858	0.6
81.03467	0.6
83.01408	0.5
85.02956	2.2
87.00916	0.7
89.02438	2.5
93.03469	0.7
95.01385	1.1
96.96027	0.7
96.96964	1.0
97.02953	1.0
99.00900	1.4
101.02454	2.2
108.02188	9.2
109.02974	4.7
113.02446	1.7
118.98097	7.5
119.03506	1.1
121.03001	2.3
123.00906	5.7
124.01678	21.8
125.02479	12.2
137.02449	1.6
149.02516	0.7
149.99602	28.3
151.00156	1.0
151.04007	1.1
152.01181	13.7
153.01968	9.6
160.68727	0.4
161.02394	0.4
161.04562	0.4
163.04010	1.1
167.03488	1.0
168.00653	70.7
169.01277	4.3
177.04153	0.6
178.99889	0.4
179.03474	0.7
193.01396	0.5
197.92767	0.4
300.99991	0.9
315.07263	1.1
315.10736	0.6
327.10815	0.5
331.06500	1.0
459.11749	0.4
477.12479	100.0
478.12778	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	477.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.2
58.00587	1.6
59.01377	33.1
61.98829	5.0
63.02410	0.5
65.00324	3.9
69.03455	0.6
70.04061	2.6
71.01385	21.6
72.01772	0.6
72.99310	2.3
73.02958	1.8
75.00870	1.0
78.95869	0.5
81.03473	0.5
82.02978	0.5
83.01391	6.5
85.02953	3.8
87.00895	1.9
88.63700	0.4
89.02451	25.3
93.03484	1.6
95.01410	1.8
96.97011	0.6
97.02965	1.0
98.02493	0.5
98.19947	0.6
99.00924	0.5
101.02454	12.5
107.01397	12.4
113.02446	7.6
114.28341	0.5
116.92876	0.8
118.98105	1.5
119.03513	9.9
121.02983	0.8
123.04524	0.7
125.02460	8.3
130.76062	0.4
131.03534	1.4
135.04506	0.5
137.02481	1.8
138.05620	0.7
143.03511	2.6
147.24628	0.4
149.04498	0.7
149.09744	1.2
151.00385	100.0
152.00714	3.7
153.01884	0.4
153.05591	1.0
161.04518	3.2
164.03592	1.6
167.10750	2.5
168.00563	0.4
169.01439	78.4
170.01727	3.3
179.03487	0.6
179.03967	0.7
179.05618	6.5
179.07034	0.7
181.08684	0.5
192.06683	0.5
211.00807	0.8
221.06738	0.7
228.48190	0.4
243.16043	0.9
288.51550	0.4
300.99881	0.9
320.95157	0.6
323.09824	2.7
350.09937	1.6
405.21332	15.4
406.21689	1.8
417.17630	1.6
477.12445	76.8
478.12610	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26162	0.5
59.01364	0.8
61.98833	3.0
69.03456	3.0
69.33846	6.5
69.34174	1.0
71.01378	1.0
73.02958	0.6
73.96896	0.7
81.03443	1.4
83.01392	1.3
84.60805	0.5
85.02944	1.3
95.01405	1.8
97.02968	2.7
98.20602	1.2
101.02484	0.6
107.01392	1.1
108.02206	1.1
109.02959	1.2
117.03472	6.0
119.05034	8.4
123.00886	10.7
124.01678	26.9
125.02461	56.6
125.75535	0.6
126.02826	1.4
130.11110	0.7
137.02509	3.3
145.02968	29.7
146.03302	2.1
149.02463	0.6
149.99596	46.7
151.00267	3.7
151.04033	0.9
155.10806	3.1
161.02507	0.8
163.04021	6.1
167.03519	1.9
168.00652	100.0
169.01407	8.8
170.01628	0.7
179.03453	0.8
199.09741	2.0
241.10675	0.8
269.04233	0.8
307.08243	1.6
313.05582	4.7
314.05942	0.9
331.06665	25.8
332.07098	2.4
444.41446	0.6
459.09351	2.1
477.10345	96.4
478.10645	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40754	0.5
57.32215	0.4
59.01368	1.0
61.98810	0.7
62.92374	0.6
69.03450	0.5
69.60733	0.5
71.01378	1.8
71.12309	1.4
81.03474	0.6
83.01365	0.6
85.02941	1.5
89.02440	0.8
93.03394	0.5
95.01385	0.9
97.71037	0.4
99.00893	0.6
101.02421	0.8
108.02181	32.9
109.02966	21.1
110.03255	0.6
113.02459	0.8
117.03461	0.5
121.02943	0.8
123.04498	0.9
125.02461	0.9
130.73734	0.5
132.02232	0.7
133.02977	15.4
135.04535	7.6
137.02443	0.8
151.00345	0.8
151.03955	0.9
152.01169	44.6
153.01956	24.3
154.02272	0.7
161.02463	42.7
162.02870	2.2
163.03972	0.9
165.01930	1.4
179.03496	4.6
183.10188	0.6
195.02884	0.5
221.04564	0.9
225.11354	0.9
300.24561	0.5
315.07193	36.3
316.07764	2.4
323.07843	0.9
433.11423	3.3
434.11578	0.6
459.09256	0.5
477.10336	100.0
477.20813	2.6
478.10690	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47108	0.5
59.01374	0.9
61.98842	1.2
64.25004	0.5
69.03442	2.5
69.40218	4.7
71.01371	2.0
73.02937	1.8
76.09989	0.5
81.03455	1.2
83.01411	1.1
85.02953	2.7
87.04495	0.8
93.03510	0.7
95.01383	2.0
97.02932	3.2
98.20589	0.9
101.02434	1.5
107.01392	1.4
108.02184	1.5
109.02946	0.9
113.02460	0.6
114.73698	0.5
117.03481	7.1
119.05046	7.4
122.99993	0.6
123.00895	11.0
124.01681	20.6
125.02463	41.6
126.02792	1.2
135.08107	0.6
137.02464	2.2
137.09750	5.0
145.02971	25.8
146.03293	1.4
149.99599	35.2
151.00461	2.7
155.10791	25.6
156.11145	1.4
161.02396	0.7
163.04016	4.5
167.03540	0.8
168.00656	62.8
169.01392	6.0
169.12306	1.4
181.08693	1.2
199.09767	14.2
201.57549	0.7
241.10728	2.4
271.06143	0.8
271.11722	1.0
301.12781	2.6
307.08234	1.5
313.05539	3.4
331.06705	21.6
332.07104	1.7
361.15060	1.7
403.16107	10.5
404.16647	1.0
417.17633	4.1
418.18457	0.8
459.09396	0.7
477.10364	100.0
477.19394	3.7
478.10651	13.3
478.20630	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
61.98811	0.5
69.11215	0.1
71.01366	0.1
71.26962	0.2
78.95903	13.1
87.81145	0.1
89.07549	0.1
96.96964	0.5
125.24207	0.1
135.21477	0.1
140.01195	2.2
152.99612	2.2
171.00638	1.5
196.03799	1.3
214.02760	0.2
214.04855	3.0
240.37672	0.1
261.22253	0.4
279.23267	100.0
280.23611	10.3
306.61957	0.1
476.27802	18.2
477.28058	2.8
477.35675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45403	0.5
59.01380	20.4
60.01691	0.7
60.99303	1.0
61.98833	11.1
69.03440	1.0
69.50732	3.7
69.51148	1.3
71.01390	7.5
72.99316	1.1
73.02944	2.7
75.00869	2.3
81.03493	1.0
83.01393	1.3
85.02964	4.3
87.00896	1.9
88.98830	4.1
89.02455	3.9
93.03458	1.5
94.06638	0.9
95.01395	1.3
97.02990	0.8
97.06587	0.7
99.00874	1.3
101.02439	3.8
108.02186	38.4
109.02988	19.8
109.06562	0.7
111.00909	0.7
113.02445	4.0
117.03445	1.8
119.03496	1.0
119.05002	0.9
121.02937	0.8
122.06126	5.6
123.00854	0.8
123.04507	0.7
124.01649	0.6
125.02445	1.8
132.02171	1.2
133.02974	21.4
134.03670	0.9
135.00923	0.8
135.04555	9.8
137.02469	1.8
137.09750	0.7
139.11371	0.6
145.02937	3.0
151.00356	1.4
151.04007	2.1
152.01169	52.9
153.01964	22.5
153.09259	5.1
154.02260	0.7
155.10789	7.5
160.01707	0.8
161.02457	49.4
161.04611	1.8
162.02812	3.2
163.04007	2.2
165.01974	1.4
166.05130	3.0
167.10670	0.7
168.00659	0.9
169.01350	0.8
169.05112	0.7
175.02556	0.7
175.04053	1.5
177.04063	1.0
179.03510	5.5
181.05052	1.0
183.06444	0.6
183.10315	1.3
184.06238	1.1
193.05176	0.8
197.11810	1.0
199.09700	2.9
221.04507	0.7
228.05135	7.8
297.11856	0.9
315.07193	39.6
316.07507	2.9
323.07587	1.2
329.12363	1.6
367.10364	2.0
417.25113	0.9
433.11301	3.8
477.10309	100.0
477.19733	10.2
478.10529	13.6
478.20117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05267	0.1
58.47665	0.1
59.01379	4.7
60.01708	0.4
61.98829	100.0
69.52221	0.8
69.52638	0.3
71.01378	0.6
80.22844	0.1
85.02977	0.2
89.02455	0.4
94.80705	0.2
101.02457	0.4
102.43414	0.1
113.02499	0.2
117.03480	2.1
118.33938	0.1
119.05056	0.7
130.86751	0.1
145.02968	7.0
151.00414	0.1
152.01163	0.2
161.04521	0.2
163.04047	0.5
167.03575	0.2
191.05672	0.2
287.05670	0.2
390.18289	0.2
477.21063	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55816	0.2
59.01364	1.0
60.56442	0.2
61.98827	0.6
62.96398	0.5
70.35337	0.7
71.01377	0.2
78.95907	53.9
96.96974	3.3
98.19933	0.2
119.95802	0.2
122.00140	0.8
122.98569	0.2
134.98503	0.3
140.01202	6.3
150.98079	0.3
152.99605	7.2
171.00647	6.2
196.03812	10.6
197.04202	0.4
214.04887	2.8
261.22147	0.4
279.23276	100.0
280.23621	9.4
290.44669	0.2
300.99817	0.6
384.23199	0.2
402.24222	0.7
412.54181	0.2
476.27808	51.9
477.28110	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.54190	0.2
61.98797	0.3
62.96399	0.3
70.17735	0.8
78.95908	100.0
96.96973	7.9
98.20020	0.3
99.36922	0.2
133.62459	0.2
140.01218	0.5
140.11012	0.2
150.98010	0.3
151.08850	0.2
152.99602	17.2
153.99918	0.3
157.71413	0.2
158.13771	0.2
170.61945	0.2
171.00653	19.5
196.03726	0.2
279.23285	0.9
301.00055	0.5
301.03366	0.3
339.46997	0.2
402.24280	1.7
476.27817	60.8
477.28204	8.3
477.35092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.27
Annotation	Petrosaspongiolide G
Peak:m/z	Relative Intensity
57.03462	0.2
59.01377	11.3
60.99327	0.6
61.98861	0.5
66.52953	0.2
70.78728	0.5
73.02937	1.2
75.41398	0.2
84.09776	0.2
113.07234	0.3
121.62083	0.2
136.82732	0.2
173.14618	0.2
178.03554	0.2
209.11879	0.5
285.18588	0.2
299.20169	0.7
313.21832	0.6
315.23257	2.2
323.20248	0.2
327.23227	2.6
328.23648	0.3
337.21790	0.6
341.21161	2.6
342.21701	0.3
351.23184	0.5
353.21481	0.4
353.24863	7.6
354.25168	0.9
367.22946	0.8
369.24368	4.7
370.24719	0.6
371.25864	2.8
372.26392	0.5
397.23828	8.1
398.24225	1.0
415.24890	62.7
416.25232	9.0
429.26224	0.3
433.25891	0.3
445.53369	0.2
475.26974	100.0
476.27319	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	475.3064
Annotation	Polyporusterone B
Peak:m/z	Relative Intensity
56.14365	0.3
57.03446	0.4
59.01378	17.0
60.99294	0.7
61.98827	0.4
69.03454	0.5
71.30289	0.6
73.02953	2.6
75.63481	0.3
77.52158	0.3
78.35243	0.3
118.92063	0.3
126.53012	0.3
136.50603	0.3
207.35817	0.3
225.01501	0.3
246.17049	0.3
313.21487	0.3
315.26907	1.3
339.23203	0.4
341.24832	0.5
351.26965	3.4
352.27289	0.7
353.28476	0.5
367.26398	0.9
369.27951	2.4
389.10040	0.3
397.27515	8.5
398.27866	1.5
415.28531	55.5
416.28851	8.8
463.55365	0.3
475.30643	100.0
476.30978	19.6
476.38092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
56.53831	0.3
57.03442	1.4
58.00595	0.3
59.01374	100.0
60.01714	1.5
61.98831	2.2
69.54038	0.9
69.54466	2.2
71.01379	8.3
73.02943	2.2
83.01404	1.3
85.02947	3.2
87.00928	0.6
89.02445	4.1
93.03468	0.5
94.06209	0.3
99.00918	0.9
99.04538	1.3
101.02445	7.3
105.05608	0.4
107.01360	0.4
109.02985	0.6
113.02454	4.8
119.03519	1.4
119.05078	0.3
121.02975	0.8
125.02462	0.9
131.03482	0.5
132.15555	0.4
134.03764	0.7
137.02473	1.7
139.04065	0.5
143.03499	0.8
146.03424	0.4
148.01672	0.6
151.00375	3.3
155.10872	0.6
159.03004	0.8
160.01707	1.0
161.02423	0.4
161.04552	7.5
163.00357	0.4
166.05058	0.4
168.78288	0.3
173.04541	0.7
175.04057	1.1
178.99870	1.8
179.05661	1.5
181.12343	3.2
193.05174	0.5
225.11520	0.7
227.03586	0.7
243.03001	2.3
245.04576	0.5
254.02390	0.7
255.02960	4.2
271.02444	9.5
271.05429	0.6
272.02847	1.4
283.02454	0.4
300.02725	14.4
301.03464	13.4
302.03900	1.1
323.07736	0.8
337.09302	0.6
345.19141	4.1
346.19513	0.5
415.23370	10.4
416.23816	0.9
433.07614	0.8
475.08698	8.6
475.22098	5.6
476.09180	1.6
476.22336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.2
57.03433	0.7
58.00593	0.4
59.01374	100.0
60.01712	1.1
61.98825	3.1
68.99781	0.2
69.03454	0.4
69.64977	0.1
69.65285	1.3
70.17915	0.2
71.01379	5.6
72.01707	0.2
72.99318	0.7
73.02947	1.9
75.00883	1.2
83.01408	0.5
85.02953	2.6
86.03284	0.2
86.04205	0.2
87.00853	0.4
87.04510	0.3
88.98831	0.7
89.02438	4.3
91.05374	0.2
91.72603	0.2
93.03461	16.0
93.17736	0.2
94.03825	0.7
95.01418	0.7
97.02936	0.2
99.00884	1.1
99.04542	0.5
101.02451	3.7
103.00398	0.3
105.01965	0.5
113.02457	3.8
115.14768	0.2
119.03488	1.6
121.02969	0.2
123.04487	0.2
125.02468	0.5
129.01956	0.3
129.32732	0.2
131.03563	0.4
132.02159	1.5
133.02956	0.6
134.03740	1.5
135.04533	0.4
137.02451	16.7
137.06039	0.3
137.09735	0.6
138.02814	0.9
143.03464	0.4
145.02953	0.6
146.59608	0.2
149.04517	0.2
149.06058	0.4
151.04059	0.5
153.09247	0.5
155.10789	3.1
160.01666	7.4
161.02492	1.3
161.04533	1.6
167.10774	0.2
173.04561	0.3
175.03993	7.5
176.04340	0.5
179.03458	0.2
179.05653	1.3
179.10782	0.4
181.12338	2.1
191.05547	0.2
193.05061	1.6
195.10109	0.3
197.08359	0.2
199.09752	1.5
211.07533	0.2
225.11188	1.0
241.10785	0.3
249.06146	0.9
253.18053	0.3
255.02980	0.2
269.08212	0.3
271.02628	0.2
277.06787	0.2
299.11115	0.2
300.02737	0.2
313.10922	0.6
322.30383	0.2
323.07608	1.5
324.07932	0.2
337.09244	8.9
338.09726	0.9
351.98914	0.3
376.01822	0.2
413.18655	0.2
415.23343	3.6
416.23724	0.3
431.18774	0.4
433.24576	0.3
457.17200	0.3
475.12387	1.1
475.17914	11.9
476.12073	0.5
476.18466	1.6
485.84848	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93239	1.3
58.00589	2.5
59.01380	96.8
59.51239	1.7
61.57249	1.5
61.98828	39.5
69.30421	17.4
71.01384	75.5
72.99310	3.0
73.02944	12.0
83.01397	2.8
85.02956	14.4
87.00877	5.6
88.98812	25.5
89.02449	100.0
95.27825	1.4
97.02946	1.9
98.48981	1.6
99.00919	2.4
101.02454	46.2
113.02454	19.4
117.03509	3.9
119.03523	15.0
119.05019	3.5
123.04562	3.9
125.02477	2.9
131.03520	27.4
134.06111	11.3
143.03540	3.6
145.02940	13.5
148.04047	14.5
149.04575	74.3
150.04916	2.4
155.24724	1.6
160.04073	7.0
161.02353	2.0
161.04639	4.3
163.04143	1.7
174.05583	3.3
179.05664	14.4
185.61848	1.7
191.05606	14.2
251.07791	3.3
267.11420	5.1
283.12018	3.3
293.08804	1.5
295.10883	22.2
296.11148	1.9
304.12640	1.8
307.08374	2.0
344.04138	1.8
415.16083	40.5
416.16479	4.7
475.17392	60.4
475.23975	3.3
476.17752	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	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03447	1.4
57.60922	0.3
58.00591	5.4
58.00876	0.3
59.01376	100.0
59.98515	0.3
60.01706	1.2
61.27536	0.3
61.98831	3.6
69.03451	1.3
69.10954	0.3
69.51113	1.5
69.51535	0.7
71.01382	33.4
71.05029	0.5
72.01733	0.5
72.99311	6.0
73.02950	18.9
74.03313	0.4
75.00887	1.5
81.03479	0.8
83.01387	3.7
83.05032	0.6
84.67750	0.3
85.02956	15.3
86.00117	1.4
86.03255	0.4
87.00338	0.5
87.00881	11.1
87.04520	3.8
89.02449	30.6
90.02770	0.4
95.01400	0.7
97.02972	0.9
98.19929	0.6
99.00878	1.7
99.04534	1.7
101.02451	44.6
102.02808	1.1
103.04018	21.9
104.04346	0.5
108.02193	0.5
109.02991	0.8
110.18085	0.3
113.02468	6.3
115.04016	5.3
119.03516	21.6
120.03838	0.6
122.03726	0.5
123.04495	0.5
125.02462	1.2
127.04049	2.6
131.03519	9.1
133.05122	0.4
134.03757	0.4
137.06018	0.3
143.03516	10.6
144.03929	0.5
145.02959	0.5
145.05077	6.9
147.11806	0.8
149.09700	1.6
155.10808	0.7
159.03049	0.5
160.01643	0.5
161.04559	1.6
163.06137	78.2
164.06462	3.0
165.12788	0.4
166.05162	0.4
167.03532	0.7
167.10789	23.5
168.11105	1.2
175.04015	0.6
179.05623	0.6
181.12347	1.6
191.10782	10.5
192.11159	0.8
199.09897	0.4
200.90311	0.3
205.07175	18.6
206.07489	0.7
209.11806	5.3
221.11697	0.5
233.11710	0.5
247.08205	27.3
248.08621	1.8
271.06210	0.5
286.04333	0.7
300.02582	0.4
307.10312	2.0
325.11401	0.7
355.17526	0.7
415.23267	1.5
475.10345	0.4
475.22015	1.3
475.27829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03466	1.7
57.50883	0.4
59.01375	15.4
61.98819	2.4
63.02404	0.4
64.15971	0.4
65.00333	0.9
66.78795	0.4
67.01901	0.5
68.99847	0.5
69.03486	0.5
69.40995	2.9
69.41418	1.2
71.01382	8.4
72.99328	2.3
73.02942	3.9
75.00885	5.8
80.12831	0.4
83.01411	1.6
85.02954	6.5
85.36150	0.5
87.00885	3.1
87.04581	0.5
88.98860	0.9
89.02442	3.1
93.03502	1.5
95.01405	1.1
99.00893	4.4
99.04533	0.9
101.02449	3.0
105.01935	0.4
107.01398	2.5
107.19405	0.5
108.02197	2.1
108.08329	0.4
109.02969	1.1
113.02467	7.0
115.00429	1.5
117.01971	0.9
119.03552	0.6
119.05025	3.8
121.03010	1.2
125.02499	0.8
126.76392	0.4
129.01976	0.5
131.03531	0.8
135.00897	1.0
137.02496	1.0
137.09782	1.4
144.41049	0.5
145.03004	1.4
146.03375	0.5
148.01723	1.9
149.00729	0.8
151.00385	9.0
151.01547	0.6
155.10802	6.1
157.01453	0.5
160.01685	0.8
161.02431	0.5
161.04620	1.0
163.00412	2.3
163.11348	1.4
164.01155	0.8
165.01880	0.4
165.12825	0.5
169.01421	0.7
175.02501	1.2
175.04037	1.4
177.01927	0.6
178.99905	4.0
179.05678	0.6
181.12355	17.6
182.12675	1.2
183.04475	0.6
187.03906	0.6
199.04010	1.1
199.09778	2.2
211.04059	0.5
215.03510	0.6
223.13370	0.7
225.11316	7.0
226.02751	1.7
227.03510	3.5
243.02957	10.8
244.03398	0.6
245.04459	0.7
249.06126	7.1
254.02159	2.2
255.02954	29.0
256.03458	2.3
267.07166	0.7
271.02475	57.8
271.06012	7.1
272.02933	5.0
272.06119	0.8
281.06512	0.7
283.02377	0.8
299.01941	1.5
299.14926	2.9
300.02750	100.0
301.03363	27.6
302.03860	1.7
312.06799	0.5
337.09335	0.9
343.04407	0.5
349.05225	0.6
413.18063	2.8
415.23300	2.2
431.19254	0.8
451.82407	0.5
457.17114	1.2
475.08704	47.4
475.18073	68.9
476.02921	0.8
476.09024	8.1
476.18427	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	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09422	0.3
50.84124	0.4
52.54934	0.3
59.01384	4.5
60.98991	0.7
60.99306	13.2
61.98824	1.6
63.74221	0.3
70.90711	1.1
71.01396	3.1
72.99345	0.4
73.02947	1.0
75.00860	0.4
81.03452	0.5
85.02947	1.2
87.00871	1.3
88.00409	0.7
88.98810	100.0
89.02448	10.6
89.99115	0.8
91.01884	0.6
93.03462	3.0
96.99323	0.7
101.02451	1.8
101.03022	0.4
101.38446	0.4
113.02467	1.1
114.85478	0.4
119.05036	2.7
119.63066	0.4
121.02969	11.9
121.03846	0.6
123.04502	0.5
125.02464	0.9
126.68022	0.4
128.03551	0.7
131.03546	0.6
131.04962	0.5
135.04527	0.4
137.02461	1.5
143.05057	2.4
145.02975	2.1
149.00735	0.4
149.04538	0.8
151.05122	0.4
153.01936	0.4
161.02451	0.8
163.04044	0.8
173.04567	0.7
175.04001	0.5
178.99910	1.9
181.08920	0.5
183.57562	0.4
190.70924	0.4
192.99738	0.6
195.78619	0.4
197.01060	0.5
211.07565	0.9
237.09198	0.8
265.08743	2.3
269.10284	0.5
293.08838	1.3
299.08752	0.5
317.52036	0.5
327.08728	14.2
328.09149	2.1
377.06491	0.5
415.12021	0.6
475.11041	2.0
475.19034	0.5
497.16159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96622	0.3
57.06125	0.3
58.71019	0.3
59.01372	4.3
60.99303	13.4
61.98830	1.4
70.88261	1.0
71.01390	2.1
72.54621	0.3
72.99319	0.5
73.02942	0.6
85.02979	0.9
87.00883	1.7
88.00394	1.0
88.98813	100.0
89.02452	9.1
89.99162	1.2
91.01911	0.9
93.03472	4.1
96.99304	0.4
97.02953	0.4
101.02476	1.3
110.07217	0.4
113.02441	1.0
117.03490	0.4
118.31802	0.3
119.03529	0.4
119.05035	2.5
121.02973	4.6
125.02467	0.6
131.05034	0.6
133.02972	0.9
135.00874	0.6
137.02446	0.9
143.05048	2.5
145.02936	1.3
146.04578	0.4
149.00655	0.6
153.01952	0.4
158.67085	0.4
161.02388	1.1
161.04648	0.6
162.90909	0.3
163.03969	1.8
173.04582	0.4
175.03978	0.4
178.99896	1.2
179.05589	0.5
192.99760	0.7
193.05038	0.3
211.07683	0.9
237.09172	0.9
265.08624	2.6
293.08957	0.7
297.07434	0.5
309.07538	0.8
327.08728	17.1
328.09073	2.0
377.06497	0.4
415.16119	1.1
475.13412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96535	0.5
55.01875	0.6
57.03451	3.6
58.00602	0.9
58.82801	0.5
59.01379	24.3
61.98824	3.3
65.00336	0.8
67.01867	0.7
69.03437	0.8
69.39996	5.1
71.01385	13.7
72.77452	0.5
72.99313	1.3
73.02953	6.8
75.00883	4.6
81.03456	0.6
83.01408	1.7
83.83920	0.5
85.02946	8.2
87.00890	4.1
87.04537	4.1
88.95399	0.5
88.98814	0.8
89.02438	4.6
93.03463	2.4
95.01434	1.1
95.04996	0.6
97.02954	1.0
98.20669	1.2
99.00890	3.6
99.04518	2.3
101.02454	5.6
103.03991	0.7
107.01395	2.1
108.02195	1.6
109.02980	1.4
113.02467	7.7
115.00385	0.9
117.01965	0.9
119.03515	1.4
119.05011	2.7
121.02979	1.3
125.02468	1.5
129.02019	0.6
131.03519	3.3
135.00876	1.2
135.08212	0.8
137.02458	2.9
137.09753	6.3
145.02962	1.0
146.03355	0.8
148.01698	1.7
149.00644	1.3
151.00398	7.8
155.10800	39.4
156.11086	1.7
161.02475	1.1
161.04538	2.5
163.00403	1.7
163.04027	0.8
163.11299	1.5
169.12363	1.6
170.01888	0.5
175.02559	0.9
175.04018	1.0
178.99886	4.2
179.05743	0.6
181.08727	1.8
181.12366	13.4
182.12595	0.8
187.04039	0.7
192.99803	0.9
193.05084	0.5
198.74474	0.6
199.04036	1.3
199.09778	12.0
200.10172	0.9
213.11301	0.9
215.03482	0.7
216.04219	0.5
225.11357	6.6
226.02756	1.6
227.03557	2.8
241.10800	2.5
243.02951	10.0
244.03384	1.1
245.04497	0.8
249.06194	4.5
254.02216	1.7
255.02983	25.0
256.03448	1.4
267.12418	0.7
271.02469	53.4
271.05997	5.3
272.02908	6.9
273.03876	0.6
281.06549	0.7
283.02563	0.9
283.11752	2.1
299.01971	1.0
299.15027	2.4
300.02756	100.0
301.03381	25.1
302.03925	2.3
337.09430	1.0
343.03983	0.5
413.18152	1.8
415.23550	3.3
433.07776	0.7
445.82330	0.6
457.16959	0.9
475.08826	46.4
475.18192	97.9
476.09128	8.6
476.18555	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	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30628	0.3
53.48668	0.3
57.03435	0.4
59.01379	7.7
61.98819	0.7
69.03449	0.3
71.01386	5.6
72.17696	0.3
72.31260	0.3
72.99311	0.9
73.02957	1.2
75.00885	0.6
83.01402	0.6
85.02954	1.6
87.00887	1.2
88.98825	0.5
89.02458	6.0
89.03968	0.3
90.98597	0.9
91.01895	0.4
93.03451	0.9
97.02966	0.3
99.00865	0.5
101.02454	3.0
105.03461	0.5
109.02995	0.4
112.61809	0.3
113.02464	1.9
115.00349	0.5
116.92870	0.5
117.03482	0.9
119.03544	1.4
119.05028	0.8
123.04553	0.5
131.03554	0.3
132.02216	1.3
133.02972	29.3
134.03476	0.8
135.04546	12.1
136.04889	0.6
136.06210	0.3
137.02483	0.9
137.06097	0.3
142.99835	0.4
145.02963	0.7
149.06018	0.4
151.04140	0.4
151.06133	5.1
161.02461	100.0
162.02803	5.7
163.04053	0.6
175.02541	0.6
177.04158	0.3
177.05592	1.0
179.03513	10.0
179.07008	0.3
180.03889	0.8
191.03506	0.4
192.99675	0.3
205.05124	0.4
221.04570	1.2
251.05634	0.6
263.73184	0.3
281.06635	1.4
293.08755	0.3
293.75418	0.3
323.07526	0.4
327.08719	1.4
329.09808	0.7
475.14551	79.2
476.14890	8.5
476.21304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
55.92958	0.3
57.03450	1.1
58.00584	0.7
59.01377	72.3
60.01717	0.4
61.98828	9.8
68.99835	0.3
69.03464	0.7
71.01382	18.8
71.32725	0.4
72.99307	1.3
73.02945	3.2
83.01397	2.1
85.02952	6.1
87.00887	2.1
88.98804	2.6
89.02452	12.5
93.03478	1.0
95.01395	1.3
95.05042	0.4
97.75986	0.4
99.00911	2.0
101.02454	11.4
105.03452	0.5
107.01432	0.8
108.02178	0.9
111.00930	0.3
113.02464	7.4
117.03475	2.6
119.03518	4.2
119.05037	5.7
121.02962	2.6
123.04543	0.5
123.08215	0.5
125.02454	1.2
125.06132	0.4
125.22172	0.3
127.07647	0.9
129.01930	0.5
131.03497	0.9
132.02184	17.6
133.02225	0.3
133.03009	5.1
134.03754	25.4
135.00858	0.5
135.04585	3.9
136.01608	0.4
137.02454	2.9
137.06055	2.3
139.00346	0.9
139.11337	0.4
143.03540	1.4
145.02951	2.5
147.04521	1.4
147.06628	0.5
148.01727	0.7
148.05328	0.5
149.04663	0.7
149.06091	3.1
151.00412	1.8
151.03987	0.4
153.09283	0.4
155.07153	0.8
155.10786	0.4
159.02975	0.7
159.06622	0.5
160.01671	88.0
161.02452	12.5
161.04533	4.8
161.05923	0.7
162.02863	0.6
163.00337	0.5
163.04039	0.8
163.11368	0.5
167.03462	0.5
170.60588	0.4
175.04015	89.0
176.04439	4.8
177.01915	0.8
177.05563	1.2
178.02744	1.4
178.99873	0.8
179.03525	4.5
179.05612	3.7
179.10852	0.5
180.03867	0.4
181.12355	0.9
182.99422	0.4
183.10248	1.6
186.92058	0.3
189.05652	0.3
191.05598	0.5
191.07097	2.5
193.05063	22.2
194.05345	1.1
197.11748	0.8
199.04013	0.4
199.09726	0.5
207.06650	0.9
215.03502	0.6
217.05074	0.5
219.06523	0.4
221.04544	1.5
223.16385	0.4
225.11348	2.2
226.02783	0.6
227.03436	1.9
229.71906	0.5
235.06079	4.6
243.02974	6.4
244.03801	0.4
249.06192	0.4
249.09706	0.4
251.05641	1.0
254.02193	1.0
255.02957	16.1
256.03333	0.9
265.07034	0.8
271.02441	35.1
272.02893	3.9
281.06738	1.6
295.08231	0.9
299.01996	2.1
300.02737	66.2
301.03177	7.4
307.08270	0.9
309.12000	0.6
313.16443	1.2
360.69461	0.3
413.14517	2.5
415.06616	0.7
415.23407	6.1
416.23425	0.5
475.08752	25.1
475.16022	100.0
475.21921	9.8
476.09122	3.5
476.16373	14.4
476.22305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64011	0.4
59.01378	9.5
60.99309	2.9
61.98818	0.8
63.49889	0.4
65.18278	0.4
69.03462	0.6
69.40047	4.1
71.01382	7.6
72.99309	2.8
73.02947	1.6
75.00855	0.7
83.01376	0.6
85.02957	1.3
87.00892	0.6
88.98816	18.9
89.02445	12.3
91.01916	0.9
93.03466	0.7
97.02957	0.6
99.00905	0.4
99.06410	0.4
101.02448	3.6
113.02460	1.2
121.02970	100.0
122.03301	3.6
124.04064	0.5
125.02445	2.9
131.02699	0.4
131.03520	2.8
135.04601	0.5
142.66130	0.4
145.02951	1.2
149.04562	5.2
153.47835	0.4
161.02478	1.5
161.04456	0.5
163.04073	0.5
165.04115	0.7
178.99837	1.0
181.08615	0.5
191.05612	1.4
233.06693	0.6
290.23071	0.5
293.08722	9.3
294.09213	0.6
327.08801	1.6
379.55548	0.4
383.98923	0.5
415.12515	3.2
442.93735	0.4
475.15363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
58.00611	0.3
59.01380	6.9
59.15412	0.3
69.48670	0.5
69.49075	2.0
71.01385	3.5
73.02945	0.6
85.02961	1.1
88.10297	0.2
89.02445	3.7
98.19924	0.5
101.02449	2.8
105.03457	0.4
113.02449	1.2
116.92866	0.3
117.03484	1.1
119.03536	1.6
131.07198	0.4
132.02194	1.0
133.02972	27.9
134.03334	1.2
135.04536	12.1
136.04872	0.7
137.02472	0.7
137.77330	0.3
149.00690	0.5
151.06149	3.3
161.02461	100.0
162.02806	5.0
177.05606	0.9
179.03508	9.7
180.03813	0.6
221.04518	1.0
251.05533	0.7
269.96625	0.3
281.06674	1.4
282.38724	0.3
293.12463	0.5
327.08868	0.6
328.97177	0.3
475.14563	80.9
476.14963	9.8
476.20169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87531	0.5
55.01876	0.6
57.03440	0.9
59.01376	30.7
60.99290	0.4
61.98838	3.0
71.01385	5.9
72.99319	0.6
73.02939	1.6
75.00858	0.8
83.01459	0.4
85.02964	2.2
87.00903	0.5
88.98803	1.5
89.02447	4.0
93.03464	89.4
94.03812	2.7
95.01382	0.4
99.00900	0.7
101.02459	3.6
111.00902	0.4
113.02448	3.1
119.03506	2.0
119.05052	0.6
121.02903	0.5
125.02461	0.6
131.03442	0.5
132.02185	9.6
133.03015	2.4
134.03749	7.7
135.04497	1.7
136.01695	0.7
137.02457	100.0
138.02827	3.4
143.03487	0.6
145.02943	0.6
149.06056	1.5
151.03998	2.6
153.09238	0.8
155.10803	1.7
160.01669	43.5
161.02454	7.6
161.04573	1.1
175.04015	45.8
176.04401	2.9
177.05565	0.4
178.02699	0.8
179.03516	2.4
179.05600	1.5
181.12299	0.9
193.05064	9.4
194.05321	0.6
199.09738	1.5
217.05034	0.7
221.04562	0.9
225.11327	0.8
235.06029	0.4
249.06190	0.7
277.07220	0.5
323.07709	9.5
324.08087	0.8
337.09283	53.2
338.09604	4.5
415.23477	3.0
475.12427	7.8
475.18384	5.1
476.12759	1.4
476.18655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66074	0.3
60.30336	0.3
69.36688	3.5
69.37042	0.4
71.01003	0.8
71.01382	12.4
72.58651	0.3
72.99294	2.7
87.00877	0.6
89.02444	1.8
92.10044	0.3
104.82919	0.4
115.00382	38.2
116.00733	1.0
120.76608	0.4
132.94693	0.4
133.01442	100.0
134.01793	2.6
160.10548	0.4
217.79582	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.4
59.01377	14.2
60.01708	0.3
60.61438	0.3
69.03447	0.7
69.55652	2.0
69.56055	0.7
71.01382	11.9
72.93653	0.3
72.99317	0.6
73.02953	1.2
75.00863	0.3
81.03449	0.5
83.01396	0.5
85.02958	1.7
87.00898	1.0
88.72579	0.3
88.98840	0.4
89.02451	12.8
91.01907	1.8
93.03443	1.7
95.01407	0.6
95.84083	0.3
97.02962	1.0
98.19945	0.6
99.00866	0.6
101.02451	6.4
107.04915	0.3
109.02935	0.4
111.00902	0.3
113.02471	3.3
117.37933	0.4
119.01395	0.5
119.03509	3.9
121.02969	100.0
121.71886	0.3
122.03291	3.9
125.02452	4.4
128.75710	0.3
130.72852	0.3
131.03517	3.2
136.57393	0.3
137.02438	1.7
138.69673	0.3
138.84845	0.3
143.03493	0.9
149.04578	5.3
151.04022	10.6
152.04434	0.4
161.02440	0.4
161.04572	0.8
163.04041	0.4
163.68860	0.3
179.05609	1.1
187.08907	0.3
189.12621	0.3
191.05656	1.0
221.06618	1.6
263.07751	0.5
265.08865	0.3
265.17758	0.3
289.07031	0.4
293.08807	6.4
297.12598	0.3
323.09583	1.4
327.08759	0.9
415.12494	3.6
475.08032	0.6
475.14261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
56.06120	0.5
57.03435	1.6
59.01376	18.0
60.17471	0.4
61.98830	18.3
69.03438	0.7
69.53345	2.3
69.53772	1.6
71.01389	11.4
72.99274	0.6
73.02943	5.1
75.00876	1.0
83.01398	2.2
83.11958	0.4
85.02958	4.7
87.00877	1.6
88.98817	2.2
89.02457	3.3
89.03973	0.7
90.05260	0.5
93.03474	1.6
95.01402	1.2
99.00916	0.8
99.04528	2.2
101.02456	6.3
107.05043	12.5
108.02203	0.9
108.05384	0.5
109.02953	1.1
113.02460	4.1
117.03477	21.7
118.03818	1.1
119.03556	0.7
119.05025	6.4
121.02971	1.3
122.03751	5.6
123.04569	5.5
125.02468	1.8
132.02180	1.5
133.02972	32.5
134.03371	1.1
134.14806	0.5
135.04549	12.6
136.04843	0.7
137.02452	2.0
145.02968	91.3
146.03319	4.8
147.04553	1.3
148.04938	0.6
149.04633	1.0
149.06114	0.8
151.04007	2.0
159.02931	0.8
161.02461	100.0
161.04626	2.4
162.02766	5.1
162.06454	0.7
163.04018	5.0
169.12608	0.5
175.04044	0.6
177.05586	1.9
179.03499	7.6
181.12332	1.5
191.05722	0.6
192.14279	0.5
211.07710	3.0
212.08029	0.6
221.04539	1.3
225.11417	0.9
226.60062	0.5
227.07181	1.6
234.84644	0.6
249.06175	0.9
293.08792	1.2
307.08215	6.7
308.08545	0.5
323.07700	8.4
413.14685	0.6
415.23328	1.4
431.13461	60.4
432.13806	8.3
439.12784	0.6
457.11475	7.0
458.11722	1.5
475.12390	41.9
475.18124	4.3
476.12784	7.1
476.19147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.5
61.85979	0.4
62.96376	0.6
71.14756	1.2
71.57542	0.4
78.95904	100.0
95.07472	0.5
96.96964	7.4
99.68717	0.5
122.00139	0.7
140.01195	5.7
152.99593	16.2
153.99831	0.5
161.58392	0.4
171.00645	17.1
196.03801	9.6
197.41618	0.5
214.04883	2.7
277.21701	71.7
278.22040	8.9
400.22528	0.9
446.75397	0.6
474.26218	85.2
475.26535	13.1
475.33603	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11802	0.2
57.03438	0.4
59.01378	4.0
61.98817	0.7
63.02380	0.4
63.09154	0.3
65.00314	1.4
69.23549	2.7
69.23947	0.5
71.01397	1.6
71.95351	0.3
72.99312	0.3
73.02954	0.6
81.80215	0.3
83.01405	0.7
84.62290	0.3
85.02948	0.8
87.00887	0.3
88.98810	1.5
89.02455	0.4
93.03475	1.2
95.01414	0.3
99.00883	0.6
99.82307	0.2
101.02433	0.8
107.01408	3.1
108.02192	1.1
109.02951	1.1
113.02460	1.0
119.05031	3.0
121.02966	0.8
125.02455	0.6
125.43110	0.3
133.22343	0.3
135.00858	0.6
137.02429	0.5
148.01683	1.6
150.99199	0.6
151.00391	9.3
152.00914	0.3
155.10736	0.3
159.04515	0.4
160.01672	0.9
161.04549	0.4
163.00423	1.3
163.03923	0.2
164.01173	0.8
165.01929	0.5
169.01399	0.4
174.03253	0.3
175.04010	1.0
177.01886	0.5
178.99870	4.4
181.12379	2.2
183.04449	0.4
187.04008	0.5
192.00629	0.5
193.01448	0.3
199.04018	0.9
203.03583	0.5
211.03983	0.8
215.03459	0.6
216.04239	0.7
225.11343	0.3
226.02705	1.4
227.03526	2.3
229.05090	0.5
243.02979	10.7
244.03349	1.2
245.04465	0.5
249.06197	0.7
254.02162	1.8
255.02974	25.4
256.03320	2.5
271.02472	53.6
271.06009	8.4
272.02890	5.4
272.06131	0.5
273.04004	0.5
283.02527	0.7
299.02011	1.3
300.02747	100.0
301.03378	24.8
302.03781	1.4
337.09277	0.6
343.04605	0.5
415.23413	0.8
429.34470	0.3
433.07529	0.5
457.17346	0.4
475.08813	49.1
475.18011	5.2
476.09097	7.1
476.18719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56815	0.4
59.01378	19.7
59.77154	0.3
61.98834	2.3
63.02384	1.1
65.00320	1.7
69.40263	2.5
69.40674	0.8
71.01384	4.2
72.61632	0.3
73.02965	0.5
83.01389	1.6
85.02940	1.0
88.98837	0.4
89.02458	3.6
93.03468	2.1
95.01397	1.1
99.00891	0.5
101.02454	2.1
107.01392	5.2
107.02052	0.6
108.02219	2.2
109.02963	2.7
111.00867	0.4
113.02465	1.9
117.03469	0.5
119.03558	1.6
120.38126	0.3
121.02958	3.9
122.60963	0.3
125.02454	1.0
132.02202	3.1
133.02937	0.7
134.03767	2.5
135.00902	1.6
136.01682	0.4
137.02437	3.2
139.00352	0.5
139.04047	0.5
143.03571	0.4
145.02998	0.8
148.01653	2.0
149.02463	0.9
149.06137	1.1
149.99570	0.8
151.00380	16.1
153.01964	0.4
155.10785	1.2
159.04552	0.6
160.01671	14.5
161.02489	2.9
161.04607	1.8
163.00375	5.3
164.01131	1.1
165.01926	0.3
169.01454	0.9
171.04491	0.6
175.04016	17.2
176.04477	0.8
178.99872	8.7
179.03427	1.9
179.05602	1.4
181.12329	1.0
183.04530	0.8
187.04021	1.1
188.04277	0.4
190.99858	0.4
192.00604	0.6
193.05093	2.4
198.03201	0.7
199.03978	1.4
199.09767	0.4
201.05534	0.9
202.02754	0.6
203.03590	0.8
209.08177	0.8
211.03955	2.5
213.01932	0.4
214.02606	0.3
215.03510	1.0
216.04221	0.6
217.04999	0.5
226.02702	1.3
227.03526	4.3
228.03864	0.6
229.05037	1.3
235.06104	0.7
239.03430	0.4
239.05624	1.3
243.02971	11.4
244.03380	1.3
245.04515	2.8
254.02289	2.1
255.02957	33.6
256.03406	3.1
257.04532	0.5
271.02451	65.2
272.02914	7.1
273.03958	1.8
281.06628	1.3
283.02502	3.0
299.02042	1.9
300.02747	100.0
301.03491	87.3
302.03882	6.5
302.19159	0.4
323.07959	0.5
337.09351	0.7
391.90195	0.4
415.06555	2.0
415.23331	2.0
433.07742	5.7
434.07855	0.8
475.08804	62.6
475.16028	7.6
476.09119	7.2
476.16238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.0
60.77357	0.6
61.98831	12.5
69.03452	2.4
69.53240	1.3
69.53629	6.0
71.01385	5.2
73.02948	1.2
75.00879	1.8
81.03461	0.7
84.04547	3.1
85.02955	3.0
87.00872	1.9
88.03515	0.7
88.04054	13.4
88.98812	1.9
89.02466	4.1
91.98959	0.6
93.03456	1.6
95.01388	1.5
97.02943	2.4
98.20619	1.4
101.02451	3.1
105.01963	0.6
108.02177	1.0
109.02985	1.4
112.04070	1.6
113.02453	1.8
117.03476	1.7
119.05052	1.9
121.02984	1.1
123.00915	6.2
123.04556	1.1
124.00840	1.0
124.01684	13.3
125.02473	46.5
126.02812	1.4
130.05113	6.7
133.03000	12.7
134.03781	0.9
135.04559	4.4
137.02469	6.6
141.38324	0.7
145.02971	1.4
149.02556	0.8
149.25388	0.7
149.99612	20.8
151.00342	2.2
151.04034	1.2
151.06099	1.5
160.06172	5.9
161.02473	37.9
163.04018	2.9
167.03496	2.3
168.00664	50.8
169.01437	5.7
173.04665	1.0
179.03474	4.9
189.15248	0.7
221.04602	1.0
266.11060	0.8
269.93604	0.8
269.96655	0.7
282.07025	0.8
293.12393	1.0
312.10757	1.1
313.05643	8.4
327.08615	4.6
331.06723	3.5
385.59442	0.8
394.92209	0.7
431.89288	0.7
433.27484	0.7
474.12564	100.0
475.14359	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
61.98824	0.8
70.78002	0.5
70.78362	0.3
78.52444	0.2
78.95909	100.0
79.47277	0.2
96.96972	8.3
100.99554	0.2
103.96639	0.2
135.05098	0.2
140.01186	0.6
150.98016	0.4
152.99605	18.7
168.44818	0.2
171.00659	20.3
172.01047	0.2
214.04895	0.5
237.07855	0.2
277.21732	12.3
278.22098	1.1
341.99924	0.2
400.22595	1.7
414.27237	0.8
457.32779	0.3
474.26212	62.6
475.26532	9.1
475.33453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
60.01707	0.3
60.99313	0.4
71.01374	0.3
72.03438	0.3
73.02932	0.6
78.95908	22.4
80.20760	0.3
96.96968	1.5
106.81969	0.3
113.60627	0.4
140.01198	2.3
148.24792	0.3
152.99571	3.3
166.35773	0.3
166.45949	0.3
171.00621	4.1
182.45877	0.4
186.51428	0.3
196.03833	1.2
214.04871	3.7
215.05527	0.3
259.20444	0.4
277.21719	100.0
278.22055	11.1
310.85492	0.4
314.25674	0.6
352.27206	1.7
366.25061	0.4
368.26883	0.6
376.62781	0.3
396.26236	2.2
413.27075	0.9
414.21680	0.7
414.27283	14.0
415.27591	1.6
474.26538	16.6
474.28867	16.4
475.26926	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	473.2906
Annotation	candelalide B
Peak:m/z	Relative Intensity
55.01914	0.3
57.03451	0.7
59.01378	16.2
60.99317	1.1
69.03464	2.6
70.93130	0.7
73.02940	3.2
78.95904	12.9
81.40934	0.3
92.76460	0.3
96.97002	0.8
132.55156	0.3
140.01215	1.5
141.86273	0.3
152.99651	1.6
171.00624	1.9
196.03789	0.9
214.04820	2.5
269.18033	0.3
277.21707	66.2
283.20596	0.4
297.22342	0.7
311.23633	0.5
313.25375	1.4
327.23148	0.8
335.23596	0.4
339.23337	0.6
349.25290	0.5
351.22922	0.4
351.26965	5.9
352.27493	0.6
365.24933	0.9
367.26404	2.7
369.27957	0.8
395.25958	8.8
396.26245	1.9
413.26953	58.5
414.27335	8.9
414.31717	0.2
473.28940	100.0
474.26486	10.5
474.28925	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	473.3269
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.03450	2.3
59.01378	2.7
61.98814	0.8
67.15015	0.2
69.32352	0.2
70.71206	0.4
70.71547	0.4
71.01353	0.3
71.05016	0.4
72.76204	0.2
73.02943	1.0
78.79190	0.2
83.05018	0.7
85.33838	0.2
92.42543	0.2
95.04989	0.3
98.20605	0.2
99.04539	0.2
99.46449	0.2
116.18194	0.2
123.08189	1.0
189.12822	0.8
191.14496	1.1
206.35538	0.2
319.86456	0.2
351.23416	0.3
369.27844	0.4
377.28839	0.3
379.26279	0.3
385.31281	0.5
391.30075	0.3
392.26968	0.6
393.31906	0.3
395.29626	0.6
407.29761	1.3
408.29703	0.3
409.31171	1.2
411.24774	0.3
411.32907	0.6
412.33151	0.3
413.26837	0.7
417.28073	0.4
421.31149	0.3
423.29401	0.5
429.25708	0.4
439.32080	4.0
440.32413	0.8
443.27716	0.4
455.31668	1.7
456.32248	0.3
473.32709	100.0
474.33133	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	473.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
59.01379	0.7
59.33039	0.5
60.99300	1.5
61.98834	0.7
69.03467	1.4
71.05024	3.6
71.60463	0.8
73.42322	0.5
73.73230	0.5
83.05079	0.5
85.73849	0.6
97.17377	0.5
109.06577	0.7
289.60840	0.6
381.27673	1.0
393.31729	3.2
409.30887	1.9
409.35391	0.8
411.32684	5.4
412.33032	1.1
413.27005	2.7
413.34198	8.6
414.34549	1.9
427.32227	4.3
428.33041	0.7
429.33466	0.7
455.31512	11.0
456.31839	2.2
473.32349	100.0
473.36703	86.6
474.32803	20.7
474.37073	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	473.3636
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
52.59164	1.1
57.03439	1.6
59.01387	0.3
60.99302	0.5
69.03434	0.5
70.96994	0.3
70.97377	1.1
71.05029	3.2
75.34733	0.3
83.05066	0.6
98.96560	0.3
108.70944	0.3
109.06603	0.7
128.95264	0.4
238.38867	0.3
323.10400	0.3
336.94409	0.4
381.28043	0.4
393.31613	1.0
409.30249	0.4
409.34689	1.1
411.32703	3.0
412.32645	0.5
413.26810	0.9
413.34241	6.7
414.34695	1.0
427.32135	1.1
453.33493	0.4
455.31485	4.0
456.32211	0.6
473.36172	100.0
474.32047	4.7
474.36557	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	473.2541
Annotation	Diterpenoid EF-D
Peak:m/z	Relative Intensity
51.05578	0.3
53.32934	0.4
57.03260	0.3
57.03507	0.9
59.01126	1.6
59.01455	12.7
60.99388	1.4
61.98910	1.9
69.03552	0.3
69.37434	3.2
71.01451	0.7
73.03046	3.2
73.13685	0.3
77.60415	0.4
83.56398	0.3
90.95386	0.3
97.03071	1.1
97.09973	0.4
123.23714	0.3
159.50261	0.3
165.09358	0.3
227.03526	0.5
236.86472	0.3
255.03096	0.5
297.18588	2.3
311.20105	0.4
313.21829	1.4
327.19781	0.6
333.18698	0.5
335.20248	1.1
339.23572	0.4
349.21796	0.7
351.19632	0.6
351.23291	3.0
353.21609	0.4
365.21307	1.3
367.22745	2.4
369.24384	1.1
395.22250	8.3
396.22629	1.1
413.23312	51.1
414.23685	8.3
473.25363	100.0
474.25699	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	473.2905
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
52.71419	0.4
55.93473	0.4
57.03442	3.3
59.01374	13.3
60.99301	1.0
61.65049	0.4
61.98832	3.0
66.73959	0.4
68.54458	0.4
69.03416	0.4
70.02094	1.6
71.01382	1.5
73.02954	0.5
77.88798	0.4
78.92137	0.4
79.27592	0.4
83.01386	0.4
83.05022	3.3
84.32995	0.4
85.02965	0.7
89.02425	0.5
93.03430	0.8
101.02460	1.0
107.01408	0.5
117.03490	1.6
119.05037	2.7
121.02945	2.6
134.20512	0.4
145.02974	4.0
151.00421	1.4
163.04002	2.1
165.10959	0.4
165.12863	0.5
181.07140	1.1
198.16884	0.4
199.71407	0.4
227.03548	0.6
271.06088	4.7
272.06317	0.5
284.03299	0.8
285.04037	0.6
309.20877	0.6
313.07364	0.4
347.72656	0.5
351.27048	0.9
367.30157	1.2
393.27966	1.1
401.09021	1.8
411.28928	4.2
412.29007	0.6
413.23242	2.3
413.28116	2.1
429.30627	2.1
455.27890	1.4
473.29114	100.0
474.29492	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	473.2905
Annotation	CHEBI:68039
Peak:m/z	Relative Intensity
57.03446	1.2
59.01381	16.6
60.99283	1.0
61.98815	2.2
71.01382	0.6
72.33231	0.5
73.02957	3.1
74.81889	0.6
80.96593	0.5
85.06573	0.9
109.25331	0.5
121.02925	0.9
187.14774	1.0
238.40419	0.6
285.22324	0.9
351.23322	0.6
363.56421	0.6
365.24789	0.8
367.26392	1.4
369.27896	0.7
395.21457	0.7
395.26016	6.3
396.26178	1.4
411.28998	0.8
413.27042	49.6
414.27313	7.4
425.26782	0.8
429.30460	0.8
443.28006	10.2
444.28195	1.7
473.28931	100.0
474.29257	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	473.2906
Annotation	CHEBI:68045
Peak:m/z	Relative Intensity
50.23709	0.3
52.19238	0.3
53.57818	0.2
54.18932	0.3
57.03004	0.3
57.03434	0.3
59.01373	0.9
60.82766	0.3
61.98816	0.5
70.04018	1.6
72.99310	5.6
75.00871	3.8
75.78386	0.4
79.73489	0.3
87.99416	0.3
111.41953	0.3
113.85091	0.3
123.56931	0.3
137.80907	0.3
157.12062	0.3
184.94389	0.3
306.72540	0.3
355.26627	0.6
365.28336	0.5
383.25864	3.3
384.26300	0.5
397.27460	10.1
398.27817	1.1
399.29092	4.2
400.29303	0.7
409.27597	2.3
410.27951	0.5
413.26636	0.7
427.28531	9.7
428.28732	1.8
429.29828	0.6
439.32220	0.9
455.27679	1.6
467.33539	0.3
473.28970	100.0
474.29330	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2906
Annotation	candelalide B
Peak:m/z	Relative Intensity
51.03598	0.3
57.03440	0.8
59.01375	17.6
60.99298	1.3
61.98816	0.9
69.03459	0.4
69.33192	3.6
71.05025	1.8
73.02946	2.7
75.00867	0.4
97.06603	0.7
103.80811	0.4
105.00925	0.3
107.97488	0.3
128.34187	0.3
138.18340	0.3
225.78407	0.4
297.22156	0.9
311.23877	0.3
313.25317	1.3
327.23172	0.6
335.23816	1.0
337.21381	0.4
351.22876	0.6
351.26901	6.8
352.27191	0.9
359.26105	0.4
365.24857	1.2
366.25369	0.4
367.26321	2.4
395.25919	8.7
396.26154	1.4
413.26953	56.0
414.27316	7.7
429.29858	1.8
473.28799	100.0
474.29144	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42843	0.2
57.03452	2.2
59.01375	46.7
60.01710	0.7
61.98825	7.2
69.03457	2.6
71.01373	2.1
71.05029	1.3
73.02950	0.7
75.00864	0.3
75.50778	0.2
76.14130	0.2
83.01372	0.3
85.02962	0.8
85.06595	0.6
86.50784	0.2
87.00903	0.4
89.02455	0.7
98.20676	0.5
99.04525	5.4
101.02439	1.8
111.08205	0.3
113.02430	1.4
117.03402	0.3
119.03526	0.8
119.05091	0.3
121.02993	0.3
136.34697	0.2
145.03006	0.4
156.82721	0.2
161.04570	0.8
165.12872	1.6
167.10794	0.4
168.70824	0.3
175.27361	0.2
179.10793	0.3
179.14438	0.3
181.12312	0.5
183.13939	0.7
191.14471	0.3
227.03465	0.5
251.16501	100.0
252.16830	9.0
255.02931	0.8
265.17905	0.5
284.03180	0.7
285.04056	1.0
293.17593	0.9
470.53189	0.3
473.10382	0.5
473.24716	2.2
474.26389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	5.1
59.01377	34.0
61.98829	4.0
67.01890	2.1
68.99816	2.8
69.03461	1.7
69.60889	2.1
69.61298	5.9
70.27219	1.0
71.01379	25.1
72.99316	8.4
73.02947	3.4
75.00875	24.9
81.03453	2.3
83.01395	2.7
85.02956	29.5
86.03310	1.1
87.00883	11.3
89.02455	6.1
91.04021	1.1
93.03464	1.6
94.36981	1.0
95.01396	8.2
97.02994	1.5
99.00896	15.2
101.02480	1.6
103.00388	2.7
109.02982	1.3
111.00884	1.9
113.02456	33.6
115.00405	3.1
117.01949	5.3
121.97618	0.9
129.01941	2.1
135.11800	9.0
144.24460	0.9
161.09746	2.3
175.02495	2.9
179.10789	32.1
180.11156	1.8
189.03976	1.1
231.05153	5.8
235.37465	1.0
249.06154	49.2
250.06555	2.0
267.07190	19.3
287.62073	1.2
331.02393	1.0
411.16547	3.1
429.17639	68.3
430.18091	6.6
473.16641	100.0
474.16934	12.6
498.50748	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21159	0.6
55.01886	0.7
57.03450	3.2
58.00584	1.0
59.01377	21.0
61.98834	5.4
62.62233	0.6
65.89464	0.6
67.01878	0.9
67.95480	0.6
68.99813	1.9
69.03448	1.5
69.64803	4.4
70.67930	0.7
71.01381	17.1
72.99300	5.0
73.02969	3.2
75.00467	1.1
75.00874	15.0
81.76008	0.7
83.01390	2.2
85.02956	17.1
87.00887	6.4
89.02441	5.1
91.04057	1.0
93.03458	1.6
95.01378	4.1
96.35609	0.6
99.00886	9.4
99.04530	0.6
100.74760	0.6
101.02457	3.0
103.00381	1.3
109.02951	0.9
111.00895	1.9
112.23973	0.6
113.02460	19.7
115.00391	2.3
117.01969	2.4
119.03521	1.0
119.05025	2.3
120.05360	1.1
121.02978	0.8
123.04436	0.8
125.02454	3.7
127.04006	1.1
129.01962	2.9
135.04541	1.6
135.11804	5.8
137.02429	1.1
145.02956	3.5
146.03308	1.3
151.03993	0.8
155.10788	1.7
157.01360	0.8
161.02440	1.9
161.04559	1.3
161.09689	1.5
163.04019	2.6
168.00653	1.8
172.36809	0.6
175.02492	2.5
179.03505	1.3
179.10786	23.3
189.04092	1.0
221.04393	1.0
227.03474	0.8
231.02814	0.6
231.05072	2.8
249.06143	29.0
250.06432	1.8
251.05708	0.8
255.03004	1.4
267.07178	5.6
281.06689	2.0
284.03320	1.7
285.04034	0.6
289.07150	0.9
297.13644	1.7
341.08948	1.3
345.44580	0.8
411.16721	1.4
413.21991	0.8
429.17670	20.3
430.17834	2.1
437.14444	0.9
452.23801	0.6
455.15463	2.1
473.16632	100.0
474.16989	14.2
474.23264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03430	2.8
57.78207	0.8
58.00593	0.9
59.01377	29.0
61.98825	3.9
63.36173	0.8
67.01890	1.7
68.99816	2.0
69.03432	1.2
71.01381	28.7
72.99300	9.0
73.02954	6.7
75.00872	24.9
81.03445	1.0
83.01402	0.8
85.02953	27.7
87.00880	12.3
87.04507	2.3
88.24601	0.8
89.02452	6.9
91.04012	2.5
93.03438	1.4
95.01393	6.9
98.19872	2.0
99.00891	13.2
101.02452	1.3
103.00382	3.8
111.00864	1.3
111.04510	1.2
113.02458	33.0
115.00381	3.0
117.01949	3.8
127.10084	0.9
129.01964	2.0
131.03487	1.3
135.11806	4.3
145.03000	1.0
157.01443	2.1
159.08139	0.9
161.09729	5.5
170.22911	1.0
175.02550	5.1
177.72832	1.0
179.10786	54.0
180.11116	4.5
189.04051	1.1
205.07072	2.0
207.05315	1.0
223.09828	1.1
229.66811	1.4
231.05093	4.4
232.22218	0.9
249.06128	42.8
250.06522	2.3
267.07211	16.2
297.13364	5.4
298.01251	1.6
300.17902	1.0
411.16406	4.4
429.17624	31.5
430.18021	4.1
455.15485	4.1
473.16605	100.0
474.16965	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	473.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03450	2.7
58.00578	0.8
59.01376	19.4
59.76567	0.6
61.98826	12.8
67.01888	1.2
68.99810	1.3
69.03107	0.5
69.03451	1.6
70.23450	2.4
71.01381	15.4
72.99306	4.8
73.02946	2.9
75.00872	15.4
83.01395	1.5
85.02950	15.5
87.00880	5.8
89.02455	4.0
91.01875	0.6
91.04024	1.2
93.03448	1.6
95.01383	4.0
97.02938	0.8
99.00877	9.2
99.04505	0.6
101.02444	1.9
102.64710	0.5
103.00385	1.7
109.02939	1.5
111.00877	1.2
113.02457	18.0
115.00388	2.0
117.01940	2.5
119.05033	0.9
125.02464	1.0
129.01953	1.5
133.02937	0.8
135.04456	0.9
135.11813	5.5
145.02945	1.2
149.06023	0.6
157.01439	1.8
161.02498	3.5
161.04568	0.7
161.09714	2.3
168.00627	0.6
175.02484	2.5
179.10776	23.0
180.11145	1.4
189.02045	0.8
189.04102	0.8
223.09753	2.5
231.05104	2.6
236.11609	0.5
249.06131	25.5
250.06500	0.7
267.07132	5.5
271.06085	1.4
272.06287	0.9
273.06641	2.2
293.08777	0.6
297.13403	7.7
298.13928	0.7
323.07703	0.7
341.06604	1.7
360.88525	0.7
371.18140	0.6
373.06824	0.6
408.62714	0.6
411.16580	2.0
413.21857	0.8
429.17627	19.6
430.17993	2.0
435.10895	1.7
455.15640	1.0
473.16620	100.0
474.16983	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	473.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
58.40673	0.3
59.01155	0.3
59.01375	3.1
61.98825	3.6
63.02395	0.4
63.11912	0.3
65.00317	0.5
69.47655	1.5
69.48074	1.0
71.68369	0.3
73.02949	0.6
74.90847	0.3
75.00860	0.3
77.40124	0.3
83.01375	0.7
85.02955	0.7
89.02430	0.5
93.03445	1.2
98.19932	0.6
101.02427	0.6
107.01381	1.4
109.02891	0.6
114.65606	0.3
117.03462	2.8
118.95997	0.3
119.05016	1.3
125.02512	0.4
129.05644	0.3
132.02177	0.9
132.61232	0.3
135.00906	1.4
135.04558	0.4
137.09689	0.4
145.02965	11.8
145.63148	0.3
146.03319	1.8
147.03505	0.3
151.00449	2.0
155.10822	1.4
157.06509	0.4
161.05989	0.5
163.00394	1.7
163.03989	1.1
163.11407	0.4
164.01111	0.6
165.09212	1.3
169.06616	0.5
178.99829	1.0
181.12372	1.5
182.03668	0.4
183.04506	1.4
185.02394	0.6
185.06068	0.8
187.03981	1.5
195.04617	0.5
195.13843	0.3
199.03978	0.7
199.09868	0.4
200.04724	0.5
211.03973	2.6
213.05618	0.6
220.14548	0.4
223.13519	0.5
225.11354	4.2
226.11595	0.3
227.03487	57.3
228.03815	4.6
229.05023	2.8
239.03482	1.0
240.04208	0.4
241.05011	0.6
243.02966	0.4
251.16479	0.6
255.02969	87.8
256.03516	11.4
257.04443	2.5
267.12317	0.7
283.02408	0.8
284.03244	100.0
285.03967	45.6
286.04358	2.9
307.08243	1.2
308.08734	0.4
327.14429	1.0
339.05621	0.3
413.08850	0.9
431.09845	0.6
473.10910	75.1
473.18457	4.9
474.11200	10.1
474.18164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.7
59.01378	11.5
68.99802	0.6
69.52570	5.1
71.01385	11.8
72.99299	3.3
73.02938	2.4
75.00888	3.5
83.01382	0.6
84.78532	0.5
85.02952	1.3
87.00885	15.5
89.02449	8.2
93.03450	1.0
99.00876	9.1
101.02448	7.9
105.01943	39.4
111.00979	0.6
113.02466	3.0
117.01993	0.5
117.03471	4.1
119.03506	2.1
119.05036	20.8
120.05360	0.9
121.02972	1.7
126.67493	0.5
131.03479	1.0
132.05818	1.0
133.02956	1.0
133.06609	5.3
134.03764	0.9
135.04556	4.1
137.02415	0.6
145.02963	35.3
146.03307	1.0
147.03024	4.7
149.06068	1.3
158.80182	0.5
161.02448	5.8
161.06088	14.6
162.06430	1.2
163.04022	23.8
164.04317	1.7
177.05563	7.6
179.03535	5.5
187.04001	1.2
193.05055	0.6
198.04681	0.5
205.05034	15.9
206.05359	0.8
221.04504	3.2
235.06119	5.7
251.05562	2.1
265.07141	12.1
266.07626	0.9
281.06644	4.2
297.08209	2.7
309.08191	0.7
311.09930	2.9
325.09308	1.8
327.09302	39.3
328.09552	2.8
341.08850	4.7
367.10370	3.8
473.12958	100.0
474.13272	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	473.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	1.1
59.01377	33.7
61.98852	0.6
69.63993	4.7
71.01383	21.0
71.64030	0.5
72.99335	1.4
73.02958	6.5
75.00901	1.9
83.01402	1.4
85.02946	4.7
87.00877	3.0
89.02452	42.6
90.02815	0.7
95.01421	1.2
98.20602	1.2
99.00899	1.2
101.02452	17.5
103.04041	1.5
113.02471	8.8
117.03512	0.9
117.77712	0.6
119.02657	0.7
119.03511	11.2
119.05041	2.1
121.03020	1.7
131.03513	6.2
133.02965	10.0
134.03711	2.1
135.04541	26.8
136.04924	1.1
137.02467	1.1
141.69026	0.5
143.03549	1.0
145.03000	2.0
148.05305	1.0
149.04929	0.8
149.06084	5.2
154.73331	0.5
159.02914	0.6
161.02464	40.8
161.67480	0.5
162.02835	2.0
163.03999	2.8
172.06299	0.7
175.04022	0.6
177.05598	7.0
178.02715	0.8
179.03516	25.1
180.03873	0.9
193.05043	0.9
203.03473	0.9
205.05022	0.9
221.04555	12.6
222.04865	0.8
232.42332	0.6
235.06215	0.8
251.05594	7.7
257.35925	0.6
281.06647	15.9
281.09607	1.2
282.06955	0.9
297.08264	0.8
311.09830	83.4
312.10126	4.8
327.09302	2.6
341.08765	8.9
352.43863	0.6
383.09741	3.6
428.62357	0.6
473.12958	100.0
474.13208	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	472.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03449	0.6
59.01376	7.8
61.98829	100.0
62.55284	0.2
62.98524	0.4
68.99819	0.3
69.03464	0.3
69.27161	0.8
69.27586	1.3
71.01384	4.3
72.99319	0.8
73.02954	0.9
75.00876	1.4
83.01395	0.7
85.02953	2.0
87.00880	1.9
89.02443	2.0
89.56016	0.2
90.90024	0.2
93.03463	0.5
95.01437	0.4
97.02945	0.4
98.20603	0.4
99.00890	0.9
101.02445	1.8
107.20554	0.2
108.02202	0.4
109.03001	0.6
111.00895	1.0
113.02459	2.4
115.04065	0.3
117.02052	0.3
117.03469	1.0
118.03858	0.4
119.03545	0.7
119.05039	5.2
120.05359	2.3
121.03021	0.5
123.04549	0.6
124.01725	0.3
125.02472	1.5
129.01950	1.1
131.03473	0.2
133.02957	0.8
134.03754	0.5
135.04567	1.6
135.11844	0.7
137.02467	0.6
145.02963	3.7
146.03319	1.5
147.04520	1.3
149.06131	0.2
149.99681	0.3
151.00412	0.5
151.04036	0.4
152.01167	0.3
155.10799	1.2
161.02463	1.4
161.04596	0.8
161.06114	0.6
161.09750	0.6
163.04022	4.8
164.04378	2.1
167.03514	0.5
168.00665	0.5
168.26775	0.2
175.04152	0.4
177.01906	0.2
177.04160	0.2
177.05605	0.6
177.09189	0.3
179.03484	1.7
179.10820	2.3
195.05293	0.2
198.06294	0.2
199.09775	0.9
203.10785	0.5
205.05118	0.6
221.04617	0.6
221.11870	0.5
227.03548	1.6
235.06151	0.3
235.08279	0.3
249.06149	1.5
251.05623	0.9
255.02940	2.5
265.07178	0.6
267.07263	2.4
267.10565	0.4
269.04504	0.3
273.07831	0.6
274.08209	0.4
276.09619	0.5
281.06717	1.4
283.02530	0.3
284.03232	2.0
285.03879	1.1
289.07193	0.5
307.08301	0.9
308.08502	1.5
325.09378	0.3
341.08713	0.7
343.13693	0.5
411.16409	0.3
413.21887	0.7
429.17627	3.1
451.16931	0.3
454.14612	0.4
472.13431	2.1
473.10782	2.7
473.16776	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	473.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
59.29493	0.4
63.02403	0.4
65.00342	0.4
69.35074	1.3
69.35498	1.7
83.01401	0.6
84.18988	0.3
93.03469	1.9
107.01386	2.1
109.02972	0.7
132.02168	0.9
133.92783	0.4
135.00876	1.1
143.05029	1.1
145.03011	0.4
151.00331	1.5
157.06616	0.4
157.65039	0.3
159.04500	1.2
160.58502	0.4
163.00412	2.2
165.01955	0.5
167.05052	0.9
169.06555	0.7
171.04510	0.6
178.99928	0.4
182.03629	0.4
183.04492	1.6
185.06129	2.4
187.04002	2.5
189.05630	0.8
195.04572	0.6
196.05206	0.4
197.06001	0.8
199.03943	0.9
200.04689	0.4
201.05591	0.5
211.04008	3.4
213.05513	1.7
223.65358	0.4
227.03484	57.5
228.03862	5.4
229.05031	9.8
230.05284	0.5
239.03497	1.8
240.04262	0.9
241.05067	1.7
255.02963	81.5
256.03494	12.6
257.04538	5.6
267.03012	0.9
284.03244	68.7
285.03995	100.0
286.04333	8.2
327.05103	1.1
415.67984	0.4
473.10858	78.6
474.11209	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	471.3479
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
56.75082	0.2
57.03446	1.9
59.01376	1.1
61.98833	1.2
70.80978	0.5
71.01357	0.2
71.05016	0.6
72.99313	2.0
75.00864	1.0
77.00735	0.2
83.00329	0.2
83.05042	0.2
85.02970	0.2
85.24617	0.2
103.21953	0.2
105.59513	0.2
106.07332	0.2
125.09716	0.4
136.51730	0.2
139.58186	0.2
145.26762	0.2
218.36678	0.2
337.25171	0.3
353.24789	0.3
363.26913	0.2
365.28653	0.2
381.24329	1.1
395.25821	3.2
395.30679	0.3
396.26166	0.6
397.27631	1.0
398.27859	0.3
407.25842	0.3
407.33383	0.3
409.31369	0.3
411.25430	0.2
411.32828	0.3
425.26944	3.7
425.34012	0.6
426.27359	0.6
453.25620	0.3
453.30759	0.3
471.27597	30.7
471.34729	100.0
472.27957	5.7
472.35095	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42277	0.2
51.20098	0.2
53.62395	0.2
55.01863	0.3
57.03447	0.4
59.01376	5.8
61.98828	100.0
62.98521	0.3
62.99240	0.2
69.03470	0.2
71.01385	3.0
71.64359	0.3
72.99313	0.6
73.02937	0.7
75.00875	0.7
83.01411	0.3
84.31856	0.2
85.02948	1.5
87.00888	2.1
89.02464	1.6
93.03471	0.3
95.01392	0.4
97.02986	0.2
99.00896	0.8
101.02463	1.7
108.02219	0.4
109.02963	0.7
111.00886	0.5
113.02429	1.3
115.92097	0.2
117.03490	0.7
119.03558	0.3
119.05038	3.7
120.05376	1.7
121.02969	0.3
123.04554	0.4
123.43657	0.2
125.02439	1.4
129.01987	0.7
133.02977	0.7
134.03743	0.2
135.04562	1.6
135.11826	0.3
137.02467	0.6
138.02888	0.2
145.02962	3.6
146.03304	1.1
147.04538	1.2
149.06157	0.2
149.09805	0.2
149.73776	0.2
150.41045	0.2
151.00372	0.4
151.03996	0.5
155.10829	0.7
161.02490	0.9
161.04575	0.7
161.05989	0.5
161.09770	0.5
163.04027	3.4
164.04370	1.4
167.03499	0.3
173.26183	0.2
177.02049	0.3
177.04143	0.4
177.05560	0.5
178.02513	0.2
178.09537	0.3
179.03468	1.6
179.10780	1.2
199.09760	0.8
203.10724	0.3
205.05093	0.6
220.98497	0.2
221.04533	0.4
227.03499	2.0
235.06104	0.5
249.06186	0.7
251.05626	0.6
255.02968	2.6
265.07193	0.9
267.07211	2.4
273.07843	0.5
281.06723	0.8
283.12091	0.3
284.03201	1.7
285.04053	0.9
289.07355	0.3
307.08194	0.7
308.08603	1.1
341.09161	0.3
343.13995	0.3
407.93549	0.2
412.21692	0.3
413.21625	0.3
429.17575	2.0
454.14560	0.5
472.14392	1.5
472.35471	0.3
473.10815	1.9
473.16730	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	471.348
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
54.70715	0.2
54.90789	0.2
58.08368	0.2
61.98828	0.4
63.69022	0.2
65.18076	0.2
83.68215	0.2
109.14613	0.2
152.99612	0.5
172.78307	0.2
190.04202	0.2
196.39014	0.2
229.57025	0.2
229.59009	0.2
407.33194	0.8
409.34729	0.3
411.32584	0.2
425.34167	0.4
427.35779	9.8
428.36298	1.8
453.33710	7.8
454.34048	1.2
471.34760	100.0
472.35114	18.0
496.29517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
57.03421	0.3
60.99310	1.2
71.03216	0.6
71.05003	0.2
83.05032	0.5
95.22872	0.2
103.66637	0.2
109.06606	0.7
123.08187	0.3
127.95303	0.2
143.01807	0.2
143.92885	0.2
221.81978	0.2
289.25235	0.3
327.19687	0.3
379.29861	0.5
407.33167	1.4
409.34778	0.4
425.34158	3.4
425.39423	0.3
426.34537	0.4
427.35672	0.4
453.33752	8.1
454.34103	1.7
469.33322	0.3
471.34778	100.0
472.35107	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
60.99302	0.7
61.65549	0.2
61.98829	0.3
93.17161	0.1
93.21599	0.2
93.25772	0.1
97.06593	0.2
137.33154	0.1
339.26910	0.3
367.26364	0.3
405.31970	0.2
407.33249	3.9
408.33621	0.7
411.25635	0.8
425.33859	0.2
427.35959	0.3
441.33643	0.5
453.33951	0.7
454.33942	0.3
469.33185	0.3
471.34845	100.0
472.35226	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13705	0.1
57.03447	1.8
61.98815	0.2
67.70460	0.2
70.25687	0.7
71.05035	0.5
83.05002	0.2
93.28230	0.2
97.02960	2.3
109.06680	0.2
111.60834	0.2
116.90900	0.2
189.34985	0.1
279.51141	0.2
287.20126	0.4
289.21762	0.6
325.19177	0.2
337.25470	0.5
368.05450	0.2
409.31335	1.3
411.32767	3.8
412.33160	0.6
423.28906	0.2
427.36087	0.8
435.32886	0.2
439.32162	0.3
453.33780	2.4
454.33890	0.5
471.34811	100.0
472.35181	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61633	0.2
53.16674	0.2
57.03438	0.9
59.01368	0.7
61.98832	1.0
61.99091	0.2
65.14580	0.1
69.18468	0.2
69.79840	0.9
71.05004	0.2
73.02937	0.4
76.68932	0.1
79.15330	0.2
81.77693	0.1
83.04958	0.1
97.06602	0.9
109.06632	0.2
123.08165	0.4
125.08803	0.2
125.09736	3.9
187.09756	2.2
221.19073	1.1
262.98270	0.1
265.18192	0.9
283.19156	1.2
284.19684	0.2
287.50589	0.2
301.20126	0.2
312.83221	0.1
339.29745	0.2
391.29776	0.2
393.28036	0.2
395.29538	0.3
399.29089	0.2
409.31073	0.6
411.25201	0.5
423.32584	0.4
425.26822	0.2
427.32806	0.8
437.30566	0.6
439.32156	1.4
440.32443	0.3
441.30206	1.5
442.30115	0.4
451.32025	0.8
453.29221	0.5
454.28424	0.2
469.33203	1.3
470.33554	0.3
471.35187	100.0
472.35538	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75532	0.2
51.40492	0.2
61.98817	0.3
78.95901	0.3
89.03149	0.2
98.20654	0.3
137.13129	0.2
152.99617	0.4
344.24704	0.2
407.33176	0.5
408.33527	0.3
409.34912	0.4
425.34280	0.6
427.35806	10.8
428.36243	1.7
453.27219	0.3
453.33719	8.2
454.33969	1.8
471.34760	100.0
472.35104	17.9
472.42065	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69402	0.2
58.90009	0.2
71.16037	0.4
136.76505	0.2
144.04604	0.2
151.05498	0.2
183.05032	0.2
191.13918	0.2
203.95047	0.2
348.45657	0.2
362.04547	0.2
385.12598	0.2
420.70383	0.2
471.34775	100.0
472.35126	20.0
472.42044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3478
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
50.99979	0.1
53.85939	0.1
64.81008	0.1
65.93261	0.1
70.88017	0.3
98.87371	0.1
108.86148	0.1
116.85019	0.1
137.09761	0.2
145.18756	0.1
221.15437	0.4
223.17099	0.3
224.17169	0.1
397.94885	0.1
407.29623	0.4
421.31119	0.3
423.32681	0.6
425.34250	0.2
471.34756	100.0
472.35104	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51398	0.4
70.51746	1.1
97.06449	3.8
97.07118	0.5
98.20577	0.3
121.21201	0.3
147.59088	0.3
203.91518	0.3
375.27057	0.6
389.28595	1.5
391.30078	5.0
392.30322	0.7
405.31638	4.1
406.32031	1.0
407.33191	10.2
408.33591	1.9
423.29071	1.9
437.30582	0.7
439.32590	0.5
441.33640	1.6
451.32126	11.5
452.32480	2.1
453.33716	50.3
454.34061	9.2
471.34793	100.0
472.35107	20.6
472.42142	0.5
497.32822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76161	0.1
58.00604	0.3
60.39473	0.2
70.33125	0.4
70.33516	0.4
77.36312	0.2
78.06485	0.2
84.14948	0.2
98.20605	0.2
145.89856	0.2
245.53583	0.2
276.94864	0.2
377.28552	0.3
393.31421	0.7
423.32755	0.9
424.32986	0.2
471.34756	100.0
472.35107	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	471.3478
Annotation	Hispidone
Peak:m/z	Relative Intensity
50.37273	0.2
61.98842	0.4
63.47910	0.2
70.95654	0.5
71.94725	0.2
95.83885	0.2
97.06586	0.3
98.19947	0.2
175.55118	0.2
185.59402	0.3
391.29953	0.4
407.33258	1.0
408.33215	0.3
425.34238	0.3
441.33609	0.4
451.32120	1.0
453.33759	1.3
454.34421	0.3
471.34784	100.0
472.35141	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
59.01377	1.6
60.56721	0.2
60.99306	1.5
61.98838	0.5
66.38197	0.2
69.03458	1.2
69.81963	0.8
69.82375	0.3
71.05025	0.6
72.99318	0.2
73.02941	0.5
76.98834	0.2
83.05048	0.6
84.32023	0.2
87.04516	0.7
109.06585	0.7
162.83939	0.2
186.85265	0.2
307.24237	0.4
308.24588	0.2
327.19574	0.4
337.25516	0.2
347.37054	0.2
349.25400	0.4
363.26883	0.2
379.26791	0.3
391.30121	1.7
393.24295	0.6
399.20450	0.2
399.29156	0.3
407.33334	7.8
408.33914	1.3
409.30502	1.6
409.35019	0.7
410.30927	0.2
411.25320	3.5
412.25754	0.5
423.29037	0.6
425.30862	2.3
426.31183	0.4
427.35785	0.8
435.29013	0.2
437.30493	0.4
441.29297	0.9
453.29538	6.7
454.30322	0.9
469.30124	0.2
471.31116	100.0
472.31473	16.4
485.32501	0.4
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	Unknow
Peak:m/z	Relative Intensity
54.09933	0.2
71.37292	0.2
71.37621	0.2
83.15043	0.2
115.80399	0.2
131.98865	0.2
180.04965	0.2
183.35338	0.2
310.57397	0.2
393.31665	0.3
471.34799	100.0
472.35165	17.0
472.42105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
59.01380	2.2
60.99307	10.8
61.98821	1.0
64.60594	0.4
69.03464	7.5
70.80222	0.5
70.80573	1.1
71.05013	1.2
73.02944	0.4
76.98803	0.8
80.02669	0.8
83.05037	0.6
85.03003	0.4
87.04527	1.4
87.70203	0.4
91.21896	0.4
97.06561	0.5
109.16236	0.4
131.08739	0.4
135.08145	0.4
137.09720	1.4
149.09729	1.1
198.54973	0.4
211.66521	0.4
244.30507	0.4
298.65387	0.4
351.31271	0.4
359.29422	0.8
361.25211	0.6
371.25790	0.7
372.15521	0.4
375.26956	1.4
377.28348	1.5
383.26001	0.7
391.25085	0.5
391.30063	7.9
392.30457	1.1
393.24301	0.5
393.31509	1.5
399.29141	5.0
400.29391	0.7
401.27554	0.5
405.31754	0.6
407.33234	52.7
408.28455	0.6
408.33560	8.0
409.34998	6.1
410.35214	1.1
411.25320	4.0
411.30667	0.5
411.32944	0.7
412.25888	0.7
421.31787	0.6
423.32596	1.4
425.30801	0.6
427.36438	4.5
435.28824	0.5
437.30774	2.2
439.32159	0.5
441.29691	2.0
441.33960	2.2
453.29694	9.3
453.34103	8.3
454.30450	2.2
460.67270	0.4
471.30695	100.0
472.31003	16.2
485.32568	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	471.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20162	0.1
57.03439	1.0
58.16639	0.1
59.01373	1.1
60.99305	0.9
61.98838	0.7
63.26074	0.2
69.41394	1.2
69.41817	0.3
69.94654	0.1
71.05012	0.4
71.76294	0.1
72.18301	0.1
72.70590	0.2
73.02937	0.6
78.95892	0.2
83.05029	0.7
97.06674	0.1
109.06589	0.7
136.77136	0.1
190.64708	0.2
267.81662	0.2
268.97665	0.2
273.95596	0.1
323.23688	0.2
327.19626	0.6
338.22787	0.2
341.24838	0.3
365.28528	0.3
379.26221	0.2
381.28119	0.2
383.29370	0.3
391.30292	0.8
395.25681	0.3
397.27051	0.2
399.29034	0.3
407.29504	0.9
409.26505	0.2
409.31244	2.4
410.31534	0.5
411.25259	0.6
423.28790	0.3
425.30850	1.7
426.30890	0.5
427.32840	0.8
437.30551	0.2
439.32022	0.5
441.29974	0.5
446.17108	0.2
453.30045	6.0
454.30508	1.2
461.83224	0.2
469.33084	0.5
471.31097	100.0
472.31448	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	471.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10371	0.3
57.03431	1.5
59.01361	1.6
61.98816	1.0
65.47654	0.4
69.48342	3.3
76.35413	0.4
82.34739	0.3
83.05029	0.6
97.06586	1.4
97.62225	0.3
115.59740	0.3
121.77212	0.4
123.08180	0.7
125.09733	7.6
140.15018	0.4
153.84277	0.4
172.85968	0.4
187.09772	5.2
221.19038	2.6
223.24756	0.4
253.67677	0.4
265.17978	1.6
283.19089	2.9
301.20090	0.8
324.64105	0.4
375.26291	0.4
395.29599	1.0
407.33224	1.0
409.31131	1.1
411.25308	1.4
423.28897	1.6
427.28116	0.5
439.32336	0.9
441.30087	27.7
442.30447	4.2
451.32120	0.7
453.29163	0.8
469.33139	0.7
471.30719	100.0
471.35257	65.3
472.30902	15.1
472.35489	13.1
491.36688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
57.03444	0.8
58.00597	0.3
59.01379	11.4
60.99286	0.7
61.98835	1.4
69.03450	0.3
72.99318	0.4
73.02961	2.4
75.00867	0.2
83.05032	1.1
86.80418	0.2
87.04517	0.7
96.13412	0.2
109.06615	0.3
119.05049	0.3
121.06571	0.3
123.34418	0.2
153.98662	0.3
161.09743	0.3
168.32840	0.2
174.32881	0.3
184.81755	0.2
209.11909	0.4
230.07661	0.3
281.19000	0.3
307.24628	0.3
311.23816	0.7
316.26474	0.2
323.23846	0.5
333.22119	0.5
335.67096	0.3
349.21866	0.3
349.25327	6.1
350.25659	0.7
363.23120	0.6
365.24814	1.5
367.26422	0.5
393.24316	7.5
394.24597	0.8
409.27173	0.3
411.25388	43.5
412.25760	6.5
425.31149	1.9
426.31351	0.4
437.31293	0.3
441.30042	0.6
453.30026	5.0
454.31039	0.4
471.26920	32.5
471.31091	100.0
472.26971	5.4
472.31448	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	471.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01370	0.8
61.98817	0.8
71.05005	0.4
72.99310	5.1
75.00877	3.7
77.56592	0.2
78.95911	0.2
83.05038	0.3
95.05035	0.3
95.20930	0.2
97.17914	0.2
98.20725	0.4
101.14834	0.2
121.06614	0.2
149.09618	0.2
161.09744	0.6
229.67314	0.2
267.17505	0.3
280.74014	0.2
283.20932	0.2
293.19165	0.2
337.25253	0.6
353.24710	0.5
353.28616	0.3
363.26898	0.7
365.24438	0.3
381.24213	3.2
381.28305	0.4
382.24576	0.5
395.25906	8.9
396.26279	1.8
397.27533	3.6
398.27710	0.5
399.28665	0.3
401.63754	0.2
407.25903	0.8
425.26868	10.8
426.27371	2.1
427.28488	1.0
453.25854	2.2
454.26566	0.4
471.27444	100.0
471.34613	27.6
472.27759	16.7
472.34988	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	471.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52304	0.5
57.03449	1.7
59.01377	15.6
60.99299	1.3
61.98829	2.1
69.35184	5.2
72.99303	0.9
73.02955	3.8
77.22229	0.5
78.35858	0.5
80.83466	0.5
83.05033	1.2
87.04530	2.0
89.85098	0.5
98.19891	0.6
103.52260	0.5
109.06594	0.6
109.53458	0.5
112.54932	0.6
117.32899	0.5
118.36678	0.5
119.05092	0.6
123.47313	0.5
161.09763	0.6
255.57709	0.5
279.14102	0.5
311.23846	1.2
323.23877	1.0
349.25427	6.0
351.23563	0.9
365.24875	1.6
367.26224	0.6
369.24170	2.0
371.26007	0.7
393.24310	8.2
394.24396	1.1
399.29025	6.2
400.29349	1.3
407.33521	1.1
409.31158	1.7
410.31482	0.7
411.25400	48.3
412.25726	7.0
413.26862	0.9
423.29187	0.8
425.30588	2.1
426.31174	0.8
427.28125	0.8
441.30103	3.7
442.30228	0.9
453.29996	12.5
454.30438	2.0
471.26865	45.6
471.31284	100.0
472.27103	8.1
472.31616	18.3
472.41382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.3
58.00594	1.5
59.01377	24.6
61.98824	12.5
63.79187	1.1
66.40565	1.0
69.03503	1.3
69.74310	8.6
71.01387	20.1
72.99322	2.3
73.02936	5.5
75.00888	3.0
77.81142	1.2
78.95936	1.7
83.01411	1.4
84.95133	1.5
85.02963	13.5
87.00887	2.6
89.02448	14.3
93.03489	1.7
95.01411	1.5
98.19958	2.2
101.02460	11.6
109.03027	1.5
113.02464	11.3
115.04041	3.1
117.03489	5.0
119.03509	6.6
119.05038	2.3
125.02485	5.2
129.05598	7.3
131.03532	2.2
132.02209	11.3
133.02983	15.3
134.03758	33.5
134.04720	2.3
135.04527	3.6
137.02484	3.0
145.03003	4.0
147.04567	1.7
147.06708	2.1
149.06137	6.9
149.99643	2.6
151.00443	1.3
152.99661	2.1
159.03009	1.7
160.01677	78.1
161.02466	36.6
161.04523	1.9
162.02863	1.7
163.04024	2.3
168.00633	5.9
173.06073	2.2
175.04012	100.0
176.04523	7.8
178.02733	3.0
179.03516	3.9
191.07149	8.2
193.05067	41.1
194.05498	3.0
195.05176	3.8
207.06665	4.5
225.11267	1.7
235.06117	32.3
236.06566	1.6
265.07101	11.2
295.07852	12.0
295.11063	2.6
309.11923	54.1
310.12381	4.1
355.10675	1.8
397.11395	91.9
398.11740	9.4
420.45953	1.4
433.95831	1.3
453.14337	1.7
471.15405	47.0
472.15460	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.2
59.01378	11.4
61.98828	6.0
69.41286	1.6
71.01386	2.1
73.02946	0.8
75.00865	0.4
83.01347	0.4
85.02965	1.1
89.02463	0.5
90.25458	0.2
93.03483	0.9
99.00897	0.3
101.02452	1.4
108.02147	0.3
109.02972	0.5
113.02466	0.8
117.03478	12.9
118.03831	0.4
119.05040	100.0
119.89692	0.2
120.05372	4.0
121.02969	0.6
123.04543	0.4
125.02468	1.1
129.01924	0.2
133.02937	0.8
133.06607	0.3
134.03712	0.5
137.02484	0.5
139.03999	0.2
142.95387	0.2
145.02968	63.0
146.03310	2.9
147.04549	0.3
148.15404	0.2
150.03218	0.2
151.00377	0.3
152.01234	0.3
153.01927	0.7
155.10796	0.3
159.04453	0.3
161.02477	0.3
161.04753	0.2
161.06071	0.9
163.04022	56.7
164.04367	2.6
168.00621	0.3
175.03992	0.4
177.01842	0.4
177.04053	0.6
178.02699	0.6
179.03520	0.3
179.10748	0.3
187.04071	0.4
195.05000	0.2
203.07005	0.2
205.05067	0.8
211.13411	0.4
231.10243	0.2
234.82047	0.2
247.06122	0.4
249.14972	0.3
265.07129	0.4
275.05502	0.2
275.09125	0.2
303.05341	0.2
307.08212	41.2
308.08554	3.5
356.07782	0.2
427.13522	0.2
453.13928	1.0
454.14288	0.2
471.12915	22.7
472.13177	3.1
497.16223	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03487	0.8
57.99784	0.9
59.01099	1.1
59.01379	19.2
61.98824	7.7
69.28630	8.9
69.29038	2.1
71.01391	14.1
72.99306	1.0
73.02946	2.0
75.00862	3.1
78.95888	6.2
81.19794	0.7
83.05010	1.1
85.02951	3.4
86.64942	0.7
87.00871	1.3
89.02457	9.4
93.03458	1.1
95.01370	1.4
97.02921	1.4
99.00906	1.6
101.02470	7.2
108.02154	2.0
109.02962	11.4
109.06586	3.2
111.08174	1.3
113.02444	6.5
117.03447	4.9
119.03506	3.1
119.05005	4.8
121.02972	2.8
125.02432	3.5
132.02191	1.3
133.02953	6.9
134.03755	38.0
135.04607	4.9
136.01682	1.7
137.02441	3.3
141.09193	1.0
145.02968	5.5
147.04539	7.4
148.05342	4.7
149.02452	1.6
149.06117	8.1
151.04027	1.3
152.01151	2.4
152.99608	7.4
153.01949	11.3
158.03709	1.7
160.01665	11.6
161.02478	5.6
162.03188	0.9
162.06778	0.8
163.04050	5.3
163.07681	1.4
163.11259	1.1
168.00661	1.8
169.53867	0.8
171.00638	2.9
171.30414	0.7
173.06030	3.0
174.03281	1.2
175.04010	19.4
176.04803	21.9
177.01944	6.7
177.05299	1.7
178.02817	5.1
178.04182	1.1
178.91850	0.8
179.03242	1.1
190.02641	3.3
191.03320	0.9
191.07162	31.7
192.04405	4.0
192.07329	1.6
193.05069	42.8
194.05385	2.3
195.05048	1.9
196.13707	0.7
203.84923	0.8
205.05026	3.5
206.05554	1.3
207.06612	14.5
207.10153	4.6
220.03847	5.2
225.11285	3.0
235.06110	59.7
236.06380	3.7
265.07086	9.7
265.09467	1.2
295.10574	35.9
296.10864	1.3
307.08286	1.9
453.14603	2.2
471.14938	100.0
472.15253	15.3
472.21350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.2
59.01375	1.9
61.98827	1.3
69.69824	0.2
70.36764	0.8
71.01373	1.1
83.01403	0.2
85.02962	0.2
89.02442	0.6
90.09846	0.2
93.03458	0.8
101.02442	0.6
101.47087	0.2
113.02474	0.4
117.03475	24.1
118.03807	1.1
119.05035	12.7
120.05354	0.4
121.02942	0.3
123.04546	0.3
131.04996	0.4
132.05853	0.3
133.06606	1.5
137.02434	0.3
145.02965	100.0
146.03299	5.5
159.04466	1.1
161.06088	3.6
161.09714	0.2
163.04019	13.9
164.04381	0.8
177.04155	0.3
177.05511	1.0
179.10791	0.3
187.04016	4.9
188.04385	0.3
205.05052	3.2
217.05165	0.2
229.04997	0.4
232.75034	0.2
235.06125	2.7
247.06108	0.4
249.14885	0.3
265.07135	4.9
284.92972	0.2
289.07230	0.2
307.08206	12.3
308.08582	1.0
309.07397	0.5
325.09155	1.4
351.02536	0.2
351.08621	0.4
381.09711	0.3
411.10907	1.4
412.10925	0.2
471.12943	5.5
471.20245	0.3
471.22678	0.3
471.31119	0.3
472.13333	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.98835	4.2
71.01385	1.4
73.02957	0.4
85.02950	1.0
89.02426	0.6
93.03449	0.6
93.73895	0.3
99.00893	0.4
101.02482	0.8
109.02954	0.4
113.02472	0.8
117.03476	17.9
118.03796	0.9
119.05039	100.0
120.05358	4.5
121.02934	0.5
125.02412	0.5
129.02039	0.3
133.03014	0.4
134.03783	0.5
135.04561	0.3
136.01636	0.3
145.02969	62.1
146.03326	3.6
147.04536	0.6
153.01939	0.5
159.04503	0.4
161.06122	0.5
163.04024	86.3
164.04370	4.7
175.03958	0.5
183.59564	0.3
187.04050	0.6
282.68961	0.3
284.25583	0.3
307.08215	32.6
308.08539	2.5
453.14075	0.7
471.12915	26.4
472.13388	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	469.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18190	0.2
68.82539	0.2
70.33178	0.9
80.75168	0.3
179.35023	0.3
283.00119	0.3
289.21707	2.3
290.22159	0.3
393.27823	2.5
395.29559	0.3
407.29538	2.8
408.29630	0.3
409.31070	2.7
410.31445	0.3
423.32675	69.4
424.32996	13.6
425.34326	2.1
426.34659	0.4
469.33221	100.0
470.33569	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	469.3322
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
71.05042	0.3
71.26873	0.5
79.80652	0.1
80.16119	0.1
85.06596	0.4
97.06604	0.8
109.51204	0.2
175.44525	0.2
241.21783	0.3
243.04253	0.2
315.85638	0.2
324.46420	0.2
391.30057	1.7
392.30545	0.5
393.31665	2.3
394.31992	0.3
413.33780	0.2
423.32898	2.7
424.33044	0.5
425.30417	0.9
437.30594	4.3
438.31180	0.5
439.32138	1.4
451.31989	0.2
453.72635	0.2
469.33313	100.0
470.33661	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	471.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
61.98832	1.7
64.25809	0.3
67.66374	0.3
68.02518	0.6
71.01386	1.2
73.02956	0.3
75.00886	0.3
85.02951	0.6
89.02461	0.5
93.03427	0.7
98.19863	0.7
101.02441	0.7
113.02464	0.5
117.03473	23.1
118.03835	1.0
119.05032	13.1
120.05372	0.7
126.99598	2.4
131.04997	0.4
133.06633	1.7
140.98300	0.3
145.02959	100.0
146.03305	5.5
159.04535	0.9
161.06088	3.4
163.04010	14.9
164.04343	0.9
177.05573	1.0
179.10764	0.3
187.04010	4.3
188.04387	0.4
198.44260	0.4
205.05025	3.0
217.05022	0.4
229.05052	0.4
229.67223	0.3
235.06081	2.2
265.07123	4.9
266.07666	0.4
289.07098	0.3
307.08191	14.1
308.08527	1.5
309.07568	0.4
309.17142	0.4
325.09375	1.7
326.09552	0.3
351.08765	0.3
381.09924	0.4
411.10880	1.8
427.10034	0.3
471.12894	11.4
471.20065	0.4
471.34491	0.3
472.13077	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	469.2957
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
52.76898	0.2
53.46345	0.2
55.79248	0.2
56.54541	0.2
57.51855	0.2
59.01363	0.3
59.87312	0.2
60.43764	0.2
61.98808	0.7
63.27334	0.2
64.20638	0.2
65.65936	0.2
65.94798	0.2
71.10928	0.4
71.11285	0.3
136.05272	0.3
217.95520	0.2
255.23138	0.3
260.10858	0.2
405.27618	0.5
405.67017	0.2
407.33096	0.3
425.34241	0.4
451.31854	0.4
469.29248	100.0
470.29602	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3321
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
50.33760	0.1
54.92509	0.1
55.19392	0.1
57.03433	0.1
71.39004	0.2
114.14521	0.1
164.89345	0.1
170.33829	0.1
176.21475	0.1
204.14644	0.1
233.01613	0.1
377.28448	0.2
393.31476	0.2
407.29541	0.1
423.32834	0.3
425.34366	0.8
426.34564	0.1
469.33197	100.0
470.33542	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	469.332
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
57.03445	1.5
59.01384	0.2
71.39442	0.2
71.39759	0.3
74.03749	0.2
119.88437	0.2
148.25583	0.2
195.03262	0.2
255.65027	0.2
375.27350	0.2
407.29367	0.3
425.34326	1.3
469.33496	100.0
470.33865	16.7
470.43463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.332
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.95626	0.2
58.43404	0.2
60.58046	0.2
66.79639	0.2
71.15984	0.7
83.49000	0.2
92.13311	0.2
94.79736	0.2
125.96384	0.2
156.30203	0.2
158.32249	0.2
247.40147	0.2
344.02310	0.3
355.26486	0.5
409.31183	0.3
423.32660	0.3
469.33221	100.0
470.33539	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	469.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08018	0.9
50.96206	0.8
51.91434	0.8
52.08970	0.8
55.01881	2.4
57.03448	10.8
58.00595	1.8
59.01373	39.2
61.98826	100.0
62.98529	1.2
63.99239	0.9
71.01379	32.5
71.59302	1.5
72.99309	2.5
73.02941	9.3
75.00869	2.2
81.03471	1.5
83.01373	4.3
83.05058	1.0
85.02953	15.0
85.05647	1.0
87.00875	4.3
89.02448	22.1
93.03461	7.5
94.03780	1.0
95.01408	2.8
97.02957	1.9
97.22937	0.8
99.00900	3.7
99.04520	9.5
101.02448	31.2
109.02961	3.6
113.02440	15.2
117.03474	3.9
117.04220	1.0
119.03519	8.3
119.05029	8.3
121.02997	5.6
121.05089	7.8
123.04537	2.2
125.02459	6.1
127.04041	1.4
129.01910	1.6
131.03464	1.5
133.02968	17.1
133.06577	1.2
135.04564	6.8
137.02451	7.6
139.04024	2.0
143.03519	2.4
143.10782	61.0
144.11139	2.8
145.02982	10.7
145.05090	3.1
147.04593	1.5
151.00372	5.3
152.01134	1.9
153.01979	2.6
155.10800	1.0
157.12325	2.5
159.03017	2.3
160.01627	2.0
161.02457	58.0
161.04456	9.5
161.05966	1.7
161.09653	1.1
162.02806	2.8
163.04044	5.0
163.06122	17.9
165.01950	2.7
173.04558	2.5
174.04919	1.0
175.03949	2.0
176.04675	1.0
177.02028	1.1
177.04018	1.0
178.99866	1.0
179.03471	3.2
179.05562	2.4
179.10767	1.8
181.07207	1.3
187.06004	1.0
191.05586	2.7
191.07217	1.3
192.06004	1.6
202.41840	0.9
205.05081	3.4
205.07190	4.5
217.90591	0.8
235.06099	2.0
265.07001	1.2
265.09296	10.7
271.06104	11.6
277.16437	1.6
283.10330	22.4
284.10654	0.9
289.07220	1.1
299.07736	0.9
321.15399	1.1
323.13470	1.8
325.11374	40.2
326.11758	2.9
328.28928	0.8
343.12476	5.3
405.02048	1.0
409.20764	11.7
410.20963	1.8
433.11374	2.0
451.15094	1.0
469.21243	45.4
470.21375	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	469.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96510	0.1
57.03437	0.2
59.01371	0.2
61.98815	0.1
63.97897	0.1
71.34586	0.2
116.95674	0.1
133.06650	0.1
151.07640	0.4
180.65775	0.1
391.26416	0.6
393.27927	1.6
394.28333	0.5
397.27469	0.4
421.27374	0.4
437.30548	0.2
439.28528	12.1
440.28937	2.5
467.31860	0.2
469.29550	100.0
470.29886	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	469.296
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
57.03446	1.1
59.01373	0.5
61.98820	0.6
63.86176	0.3
70.09929	1.0
70.10339	0.6
82.91151	0.3
83.05035	0.6
87.04529	1.1
97.06608	0.7
98.20009	0.4
136.81993	0.3
193.94136	0.3
229.68355	0.4
280.86484	0.3
287.54465	0.3
307.24078	0.8
315.51575	0.3
383.40729	0.3
405.27469	0.7
405.32199	0.6
407.29083	0.5
423.28964	0.7
438.79172	0.3
451.32816	2.5
452.32584	0.5
469.29550	100.0
469.33932	42.6
470.29941	22.0
470.34457	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	469.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01461	0.5
51.28487	0.4
52.86511	0.4
57.03433	2.0
59.01362	1.0
61.98825	2.6
71.59534	0.8
78.15381	0.4
85.02927	1.0
87.04517	2.9
96.96024	0.5
108.14263	0.4
128.28412	0.4
130.33498	0.4
148.17097	0.4
211.13313	0.5
278.49301	0.5
307.24136	1.0
332.11343	0.5
337.21445	0.5
369.24344	0.7
381.24295	0.6
395.29468	0.6
405.32336	0.6
411.25198	0.6
421.27261	0.7
423.29022	1.1
437.30588	0.9
439.28372	3.4
451.28494	13.0
452.28943	2.3
469.29529	100.0
470.29865	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01376	1.6
61.98826	3.4
66.69976	0.3
70.79163	0.5
70.79518	0.9
71.01394	0.7
73.27921	0.3
83.01392	0.3
85.02987	0.4
87.04531	1.1
90.57319	0.3
94.06622	3.0
101.02458	0.5
106.06651	0.7
107.01398	0.4
107.03776	5.6
107.04968	0.3
108.02135	0.4
115.87329	0.4
116.05139	0.3
118.42033	0.3
119.05019	0.9
120.04576	0.7
122.06130	30.3
123.06459	1.2
124.07694	2.0
130.02968	0.7
132.04480	0.5
133.67741	0.3
134.06119	1.7
135.04504	0.4
135.08167	0.6
137.02454	0.6
139.02760	2.1
145.02971	0.6
147.03239	0.4
150.05583	0.5
151.00362	0.7
152.07184	65.8
153.04279	0.3
153.07524	2.2
160.04056	0.6
162.05632	5.1
163.06018	0.3
169.05412	0.5
174.01952	4.0
174.05530	0.4
186.01956	0.6
188.07170	5.9
201.07935	1.3
202.08727	0.4
206.04567	0.7
216.10287	23.4
217.10765	1.6
218.04468	0.5
228.10353	1.0
234.11366	0.5
260.12885	23.4
261.13098	1.6
271.06070	2.4
272.09277	0.6
281.09348	0.4
304.11969	1.8
307.24332	0.5
311.10297	1.7
321.36151	0.4
339.09857	5.4
340.10086	0.8
349.15784	0.3
353.18661	0.6
360.63113	0.4
365.14838	0.3
371.12531	0.7
381.18152	1.1
397.17044	0.4
397.21512	1.0
397.27002	0.3
407.07608	0.5
425.16553	2.5
425.21719	5.7
426.16843	0.5
426.21622	0.5
441.20523	0.6
469.19766	100.0
469.29373	7.5
470.20093	14.9
470.30060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.7
57.03441	3.8
58.00587	1.5
58.81390	1.1
59.01378	97.3
60.01700	1.5
61.98827	16.9
71.01385	48.7
72.01754	1.2
72.99317	2.4
73.02946	14.9
75.00882	1.7
78.95900	1.1
81.03529	1.0
83.01389	10.2
85.02956	22.3
86.00113	1.2
87.00893	3.3
89.02451	17.0
93.03472	4.8
95.01384	3.0
96.96025	2.0
97.02940	2.7
98.20628	2.8
99.00870	8.2
99.92629	1.5
101.02457	51.5
107.01390	1.3
108.02185	14.2
109.02985	8.0
111.00861	1.7
113.02460	17.6
113.99581	7.2
115.03980	1.9
115.92118	4.4
116.92867	1.7
119.03538	5.0
119.05046	5.2
121.02955	2.3
123.04542	2.0
125.02450	6.2
129.01968	2.0
131.03522	40.9
133.02986	2.2
135.04500	1.2
137.02460	5.5
138.00516	1.1
143.03564	1.9
145.02979	6.2
149.04533	1.9
151.00418	6.1
152.01186	9.3
153.01930	5.0
159.03014	3.1
160.01636	1.3
161.02530	7.2
161.04568	15.9
163.04102	1.9
164.59143	1.3
167.03462	1.1
168.00658	1.7
173.04681	1.5
174.04958	1.1
177.01872	1.7
179.05568	1.8
191.05504	2.0
227.98442	1.2
229.74219	1.2
247.13397	1.5
271.06113	25.6
272.06433	2.9
277.16553	100.0
278.16968	5.3
407.07538	6.1
409.20782	93.3
410.21124	10.6
433.11243	3.2
469.16629	18.4
470.17776	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
59.01374	3.3
61.98830	4.9
67.01906	0.4
69.03445	0.6
69.29839	0.8
69.30246	4.4
71.01384	4.1
73.02958	1.6
75.35951	0.4
81.03457	1.0
83.01377	1.2
85.02965	3.9
87.00898	0.7
89.02431	0.6
93.03472	2.2
95.01393	2.2
97.02987	0.6
99.00896	1.2
101.02483	2.4
107.05031	2.2
108.02185	49.2
109.02979	33.4
109.06607	14.3
110.03293	1.0
111.00890	0.8
113.02450	1.8
121.02953	1.2
123.00898	1.5
123.04523	1.0
124.01704	0.5
125.02431	1.7
127.07664	7.6
133.02928	0.5
135.00941	0.7
135.04568	1.1
137.02399	2.1
145.02957	1.5
151.04041	1.5
151.07669	1.2
152.01166	63.9
153.01965	25.6
153.05545	1.1
154.02293	0.8
161.02477	1.3
161.04584	0.6
163.04056	2.2
165.01913	0.7
168.00641	1.1
171.06680	1.2
175.04047	1.1
177.05612	2.0
178.06155	0.5
179.03529	0.6
195.06607	0.8
227.07095	0.7
253.05072	1.1
271.06073	1.9
315.07208	11.4
316.07748	0.7
383.63281	0.6
417.98337	0.6
425.14520	2.9
433.11868	0.9
451.12372	3.9
469.13489	100.0
469.60883	0.7
470.13828	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	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
60.01709	0.4
61.01785	0.3
61.98831	100.0
62.98526	0.2
65.12228	0.1
69.89530	0.7
70.23075	0.2
71.01399	0.5
73.02978	0.2
75.48480	0.1
87.00951	0.2
89.02443	0.8
90.83752	0.2
101.02459	0.5
107.16986	0.2
113.02502	0.3
125.02481	0.2
131.03522	0.3
137.02512	0.4
149.04567	0.3
156.66405	0.2
165.01865	0.2
195.06737	0.3
228.79343	0.2
310.32687	0.2
373.95139	0.2
402.76852	0.2
468.12607	0.2
469.19016	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
60.01711	0.5
61.01812	0.4
61.98829	100.0
69.71327	1.7
71.01393	0.3
85.31290	0.2
99.64733	0.2
101.02473	0.3
165.01947	0.9
180.04298	0.5
195.06622	1.1
225.07663	0.3
421.15393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15625	0.8
59.01189	1.2
59.01460	2.6
61.98568	1.5
61.98925	9.5
63.02483	0.8
65.00407	0.9
65.22405	0.6
68.98251	0.6
69.74041	3.5
69.74453	1.2
70.09542	0.6
71.01147	0.7
71.01494	2.1
71.81081	0.6
78.16799	0.6
83.01491	0.8
85.03044	1.6
88.98911	0.8
89.02528	1.1
90.07088	0.7
93.03589	2.0
98.20656	0.7
101.02558	0.8
107.01546	2.1
108.02216	4.1
109.02302	1.7
109.03097	26.2
109.06696	0.9
110.03402	0.9
113.02576	0.8
117.03598	1.0
121.03138	2.6
125.02578	1.7
127.07771	1.3
133.03043	0.8
134.03825	1.2
135.01003	0.9
135.04634	0.9
137.02563	2.1
145.02991	3.5
148.01848	0.7
149.02586	0.6
149.99731	0.7
151.00388	11.6
151.04161	0.9
152.01163	4.9
153.00761	0.9
153.01944	23.5
154.02428	1.2
160.01836	2.1
161.02531	1.0
163.00398	3.2
163.04106	1.1
164.01302	0.8
168.00848	0.7
169.01462	0.8
171.06770	0.7
175.04175	3.0
177.02042	0.7
178.99860	9.1
187.04184	0.9
191.05779	0.9
193.05055	0.7
197.01181	1.0
211.04144	1.0
215.08891	0.7
226.02734	1.0
227.03650	2.3
229.05171	1.3
235.06180	0.8
235.14555	0.6
243.02962	6.9
244.03596	1.1
245.04678	1.5
254.02242	1.8
255.02954	21.2
256.03519	2.1
271.02454	39.5
272.02914	3.9
273.04108	0.9
283.02539	1.6
289.07162	0.8
299.02127	0.8
300.02744	77.6
301.03488	67.8
302.03839	5.3
315.07309	2.8
333.11960	0.7
433.07727	100.0
434.08084	12.2
469.13431	23.9
469.22818	4.3
470.13724	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	468.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.6
61.98829	100.0
62.98524	0.3
69.60650	1.2
71.01382	1.1
72.99334	0.1
73.02959	0.4
75.00848	0.3
78.95920	0.2
83.01423	0.2
85.02968	0.7
87.00916	0.3
89.02445	0.4
96.96037	0.3
96.97002	0.2
98.19858	0.2
99.00953	0.2
101.02467	0.6
102.27791	0.1
111.00916	0.2
113.02475	0.5
125.02477	0.6
126.02732	0.2
137.02477	0.6
144.04591	0.6
159.03073	0.2
161.04578	0.7
165.01976	0.5
177.04059	0.2
179.03580	0.4
180.04253	0.2
191.05716	0.2
195.06694	0.4
196.06955	0.3
207.03026	0.2
225.07777	0.2
306.10556	0.2
393.77777	0.1
409.17215	0.4
433.13913	0.5
468.17532	0.5
469.15582	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
61.98831	100.0
71.01392	1.4
71.65762	0.7
91.01879	0.5
93.03466	0.7
93.79521	0.4
101.02487	0.6
108.02197	0.4
113.02473	0.8
119.05088	0.7
125.02471	0.6
135.00867	0.5
135.04541	0.7
137.02472	1.0
145.02957	1.0
151.00403	1.4
152.01201	0.5
160.01674	3.2
163.03984	0.7
171.58331	0.4
175.04018	3.5
215.10777	0.4
243.06570	3.2
287.05740	0.5
405.11963	1.4
406.29523	0.4
437.08728	0.4
467.33221	0.5
469.20834	2.9
469.29779	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	468.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
59.47855	0.1
61.98827	100.0
62.98536	0.3
67.20031	0.1
69.32847	0.6
69.33279	0.9
71.01382	0.4
79.19603	0.1
83.01401	0.1
83.04900	0.1
89.02467	0.2
90.05201	0.1
90.41557	0.1
93.03487	0.4
99.00806	0.1
101.02467	0.2
102.23177	0.1
113.02441	0.1
115.77197	0.1
117.03508	0.4
119.05054	0.2
134.72855	0.1
137.02451	1.2
145.02977	1.0
151.00421	0.2
163.04053	0.3
221.48856	0.1
229.35507	0.1
240.49684	0.1
243.06616	0.4
264.24811	0.1
372.84506	0.1
468.16916	0.5
469.20776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01376	2.3
60.99309	0.2
61.44765	0.2
61.98829	100.0
67.01904	0.2
71.01378	0.9
73.02944	0.4
83.01405	0.1
85.02950	0.9
87.00889	0.5
89.02471	0.5
93.03468	1.9
94.03821	0.6
95.01427	0.1
99.04536	0.8
101.02447	0.9
109.02930	0.3
113.02509	0.5
113.69716	0.2
117.03448	0.2
119.03551	0.2
119.05085	0.2
121.02994	0.2
121.05059	0.2
125.02506	0.3
131.03546	0.4
133.03000	0.7
134.03746	0.4
135.04518	0.2
137.02473	1.4
138.02859	0.4
143.10780	1.3
145.03020	0.4
160.01750	0.3
161.02483	1.3
161.04607	0.4
161.06035	0.3
163.04045	0.5
163.06146	0.2
173.04539	1.5
174.04959	0.7
175.04044	0.2
178.02621	0.2
181.07249	0.2
191.05624	1.7
191.07205	0.2
192.06049	0.7
205.95767	0.1
229.61494	0.2
265.07022	0.2
265.09518	0.2
271.06110	0.2
277.16690	0.5
283.10471	0.4
299.79984	0.2
323.13449	0.2
325.11359	0.4
409.20712	0.8
450.14929	0.9
468.15643	1.4
469.16043	0.4
469.21152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2797
Annotation	Antcin B
Peak:m/z	Relative Intensity
51.17131	0.4
55.01884	0.5
57.03435	1.6
58.00577	0.7
59.01355	1.7
61.98821	7.0
69.54434	3.7
72.99294	1.3
79.26599	0.4
83.05022	1.2
84.61716	0.5
85.02949	4.0
87.04530	0.9
92.70086	0.4
96.95998	0.7
97.06592	0.6
98.20633	0.6
111.04494	0.5
120.11606	0.4
124.05322	0.9
125.06069	0.6
135.08173	1.0
285.18628	0.5
365.28568	1.0
368.55170	0.4
377.28598	0.8
381.24295	3.1
403.26196	0.5
405.27887	1.6
407.25851	1.9
409.27478	2.4
421.27383	1.9
423.29642	0.9
437.26831	1.2
439.28516	9.1
440.28741	1.7
449.26959	9.5
450.27325	1.1
467.27966	100.0
468.28275	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2803
Annotation	Antcin B
Peak:m/z	Relative Intensity
51.71114	0.2
57.81508	0.2
59.01360	0.3
60.20481	0.2
61.98815	0.8
69.97968	1.0
71.99561	0.2
97.40228	0.2
98.20557	0.3
111.03786	0.2
136.05307	0.3
153.06613	0.2
180.30374	0.2
202.88162	0.2
255.23199	0.2
256.23553	0.4
269.11353	0.2
313.25705	0.2
321.73389	0.2
388.23907	0.4
403.26373	0.5
405.27780	0.3
421.31555	0.2
422.91888	0.2
460.50128	0.2
467.27957	100.0
468.28271	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	467.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10815	0.3
59.01365	0.5
61.98830	1.3
71.50590	0.9
73.93615	0.3
83.97810	0.3
85.29363	0.4
103.03936	0.3
113.09673	0.3
383.70242	0.3
421.31369	1.1
467.31793	100.0
468.32135	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	467.3167
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
59.01271	0.4
59.01534	0.5
61.98689	0.8
61.99018	1.0
64.32413	0.4
123.56467	0.4
137.09543	0.7
155.89706	0.5
167.57137	0.4
191.14194	0.5
225.12154	0.5
287.20142	2.3
375.22556	0.5
391.26434	5.0
392.26712	0.6
405.27948	2.6
407.29782	2.9
421.31116	77.2
422.31424	13.3
423.26886	0.4
423.32703	2.7
467.31754	100.0
468.32043	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	467.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	37.2
59.01377	27.9
61.98827	10.6
69.35226	3.3
69.35651	6.6
71.01382	7.6
72.99326	1.2
73.02963	2.2
85.02959	3.2
89.02446	4.9
93.03457	4.4
97.02981	1.6
99.04532	20.6
101.02452	12.7
108.02221	1.0
109.02937	1.0
111.04505	1.2
113.02518	0.9
115.22681	0.9
125.02443	7.6
126.10904	1.0
137.02449	1.2
137.09676	1.0
145.02980	1.3
145.07742	4.1
149.93623	1.0
155.10812	2.5
160.06444	11.1
161.04591	10.6
161.07230	39.4
162.07587	1.7
173.04608	6.1
173.10863	1.3
175.08788	25.7
175.10321	1.5
176.09216	1.1
185.10921	1.5
187.07397	1.0
187.08795	6.1
189.06720	69.4
190.07095	3.6
191.05634	17.5
201.10339	7.3
203.08286	34.7
203.11900	7.7
204.08662	1.4
213.09329	1.2
217.09789	1.7
229.09834	19.4
277.11981	3.3
293.10324	1.3
305.11426	65.1
306.11588	5.0
323.12485	100.0
324.12827	7.1
365.13531	13.4
405.16666	3.7
449.14755	2.8
467.10730	1.2
467.15399	6.0
467.21228	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	467.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80777	0.6
55.01887	0.7
57.03445	1.8
59.01378	34.5
60.99321	0.8
61.98831	19.9
67.01892	1.2
68.23322	0.7
68.99821	0.9
69.03465	0.9
70.75677	1.9
71.01385	10.9
72.99312	4.8
73.02940	3.2
75.00872	12.9
78.91925	0.6
78.95921	1.0
80.91681	5.9
83.01377	1.4
83.05045	0.8
85.02956	13.5
87.00887	5.8
89.02479	3.2
89.34337	0.6
89.67038	0.6
93.03463	9.2
94.03822	0.7
95.01405	2.6
97.03032	0.9
99.00888	5.9
101.02460	3.3
103.00427	0.8
109.03003	1.7
111.00885	1.5
111.04561	1.8
111.08162	4.0
113.02462	10.2
113.09723	1.2
115.00405	1.8
115.92107	2.4
116.92902	2.6
117.01947	1.3
119.03561	0.9
119.05061	1.8
121.02999	2.4
123.04607	0.8
125.02418	1.0
127.04025	0.8
129.01996	1.8
137.02472	3.9
137.09746	1.7
143.07178	0.9
146.03761	0.9
151.00427	0.7
151.03976	0.9
155.03534	1.5
155.10793	20.2
156.11102	1.1
157.08717	34.2
158.09128	1.7
161.04611	1.0
163.04034	2.2
165.01924	1.2
169.01552	0.7
173.04579	8.7
173.06033	1.0
173.08197	3.6
173.11920	0.8
175.02562	0.8
175.07718	2.5
176.04817	1.2
177.09198	3.1
178.02687	0.9
180.04285	0.9
180.07793	0.7
187.07707	3.7
191.05620	41.1
192.06004	0.6
195.06741	0.8
199.09831	1.9
202.06505	0.8
203.07190	1.1
205.08788	2.9
217.10797	4.2
219.10387	0.7
225.07692	1.0
231.10277	3.3
241.07211	1.1
246.11415	1.0
249.06102	7.0
249.11328	5.0
267.07352	1.9
275.09174	2.9
291.14551	3.4
293.10309	2.9
405.17911	2.1
407.15607	2.4
407.22412	0.9
437.14337	0.9
449.16690	3.5
450.17249	0.7
467.17661	100.0
467.28796	4.0
468.18100	13.4
468.28928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
57.03461	2.1
59.01378	41.9
61.98831	9.3
67.01892	1.5
71.01385	46.7
71.01763	2.9
71.62010	2.3
72.99316	2.4
73.02953	29.2
75.00858	3.2
76.02423	1.6
83.01391	7.2
85.02957	13.8
85.53582	1.3
87.00896	3.1
89.02450	13.7
95.01394	1.4
96.96966	3.1
99.00888	12.2
101.02449	21.1
103.04010	9.0
111.00903	3.9
112.98821	19.9
113.02455	12.8
115.00411	2.4
119.03492	4.2
125.02397	3.6
129.01984	3.1
130.08742	1.9
131.03514	55.3
131.98625	1.4
132.03810	1.8
142.99873	6.5
145.01453	2.5
146.66737	1.5
159.02998	2.2
161.04565	18.6
173.00941	6.7
173.04590	1.9
196.06989	1.7
293.08762	100.0
294.09140	6.4
325.11377	1.5
448.59451	1.4
462.79904	1.5
467.12363	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Rhodioloside E
Peak:m/z	Relative Intensity
55.01865	1.3
57.03429	1.3
58.00589	3.6
59.01374	87.1
60.01716	0.8
61.98827	24.2
63.99267	0.4
69.03458	1.1
70.89783	0.5
70.90127	0.7
71.01381	65.9
72.01707	1.2
72.10849	0.3
72.99310	3.8
73.02950	15.0
75.00869	2.1
81.03443	0.6
83.01380	2.6
83.05038	0.3
85.02953	10.1
86.39977	0.3
87.00887	4.1
87.04509	0.5
89.02446	100.0
90.02753	1.7
93.03461	1.3
95.01400	2.2
97.02942	1.9
99.00883	22.2
100.01249	0.7
101.02449	48.0
102.02795	1.3
108.02203	2.1
109.02967	2.7
111.00925	1.2
111.08120	0.4
113.02451	15.8
115.04040	1.0
117.03484	0.5
119.03510	11.7
119.04914	0.5
121.03006	0.4
121.05054	0.4
123.04522	0.7
124.01649	0.4
125.02459	4.8
125.09759	0.6
129.01891	0.4
131.03513	28.0
132.03839	0.7
133.02966	0.5
134.98975	0.3
136.07672	0.4
137.02441	1.0
137.09761	1.1
143.03503	2.9
145.03020	0.9
149.04564	71.4
149.99641	0.5
150.04892	1.9
151.00401	0.9
151.04015	0.4
152.01157	2.1
153.01923	2.3
155.10783	8.6
156.11179	0.6
161.02463	0.5
161.04564	5.1
163.04041	0.6
167.03494	0.4
168.00681	0.7
173.04608	0.6
177.01924	1.7
177.04095	0.5
178.99904	0.4
179.05621	5.7
185.11813	2.2
191.05609	17.6
192.06032	0.9
195.05042	0.3
199.09734	2.9
199.13443	1.0
221.06595	3.0
227.12981	0.4
233.06682	1.1
251.07721	5.9
252.08240	0.4
285.12509	0.5
293.08807	1.8
294.29547	0.3
300.02710	0.4
301.03284	0.8
302.03680	1.2
303.04102	1.1
303.13351	0.7
311.09836	1.3
315.07224	0.5
317.12396	0.7
327.12595	0.4
333.19171	1.8
347.17261	0.7
349.17526	0.4
405.16492	0.5
405.21362	4.3
406.21494	0.5
458.38016	0.3
465.09900	5.5
465.23718	47.5
466.10471	0.5
466.23907	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	466.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
57.03446	0.7
57.51398	0.2
58.00590	0.2
59.01373	18.2
59.80855	0.2
60.01705	1.7
61.98825	100.0
62.98516	0.2
69.38629	1.7
69.39041	0.3
71.01379	2.8
72.99308	0.3
73.02943	0.3
75.00883	0.6
83.01389	0.4
85.02962	0.8
86.14757	0.2
87.00900	0.3
89.02441	3.0
90.02754	0.3
93.03461	0.5
95.01407	0.3
96.96017	0.3
97.02925	0.2
97.06672	0.2
98.20672	0.4
101.02452	1.5
102.02769	0.2
107.01415	0.2
109.02988	0.5
111.00146	0.2
111.04601	0.2
113.02462	1.4
114.02825	0.2
114.05611	0.4
119.03484	1.6
121.02967	0.2
123.04517	0.2
125.02455	4.4
126.02803	0.8
131.03513	0.2
132.89214	0.2
133.02959	0.2
137.02455	1.8
139.00349	0.3
143.03540	0.5
149.02477	0.6
151.00435	0.5
151.04060	0.3
153.01973	0.6
156.06642	0.4
161.02473	1.5
161.04576	0.8
165.01927	0.6
167.03551	0.3
175.04045	0.2
177.01942	0.4
178.99892	0.4
179.05605	0.9
180.00157	0.2
180.05952	0.3
181.01445	0.3
191.05630	0.5
195.03018	0.3
199.03963	0.3
217.05074	0.3
218.05457	0.2
242.05350	0.2
276.06070	0.2
285.04031	0.6
286.04413	1.6
287.05527	0.6
299.07745	0.3
303.05148	0.7
304.05371	1.3
305.06598	1.4
355.30399	0.2
357.08170	0.2
403.12503	1.2
405.21368	0.5
406.21619	3.0
407.21799	0.2
449.10867	0.4
466.10452	0.4
466.16226	0.5
467.11670	1.6
467.15988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
58.00591	0.6
59.01379	100.0
60.01719	0.8
61.98833	1.0
64.57544	0.4
69.46365	3.3
71.01385	6.7
72.99321	0.5
73.02940	0.4
73.48128	0.3
85.02962	1.3
89.02451	12.2
93.03482	0.7
98.19843	0.6
101.02454	5.2
113.02469	3.8
119.03509	5.0
119.04185	0.4
125.02479	0.6
130.49718	0.3
131.03577	0.8
132.35779	0.4
136.27315	0.4
137.02470	1.5
139.03043	0.5
143.03529	0.8
149.04602	0.5
154.78667	0.3
158.41965	0.4
161.04587	1.8
162.47507	0.3
179.04001	0.5
179.05615	4.5
187.26938	0.4
239.05713	0.5
405.21326	7.1
406.21701	0.6
465.15497	2.2
465.23654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1976
Annotation	Ustiloxin F
Peak:m/z	Relative Intensity
55.01867	0.4
57.03447	0.7
58.00593	0.7
59.01377	11.9
61.98827	10.3
62.98554	0.3
69.44598	0.8
69.45026	1.4
71.01387	9.9
72.01756	0.3
72.99336	0.6
73.02951	4.9
75.00883	0.5
81.03453	0.4
83.01386	0.6
84.66472	0.3
85.02954	2.4
87.00919	0.6
87.04529	2.0
89.02455	8.7
90.23605	0.3
93.03455	0.2
95.01424	0.6
97.02983	0.5
99.00914	1.4
99.04554	0.4
101.02458	6.3
102.02807	0.3
106.85734	0.2
107.05139	0.3
108.02233	0.4
109.02959	1.3
113.02464	2.8
119.03513	2.2
121.05093	4.1
125.02479	0.6
131.03523	1.2
133.57332	0.3
134.34369	0.2
135.08186	2.8
137.09737	12.0
138.10052	0.5
138.68066	0.2
139.11307	0.4
143.03511	0.3
149.04573	3.3
150.04950	0.3
151.00356	0.9
152.01030	0.3
153.01927	1.0
155.10797	79.5
156.11108	3.8
161.02554	0.3
161.04585	1.0
167.10822	0.5
169.12386	1.0
179.05626	0.9
181.08754	3.0
185.11906	0.4
191.05629	1.1
199.09767	19.7
200.10106	1.3
200.44646	0.3
213.11305	1.3
241.10788	3.9
242.11232	0.3
243.02995	0.3
244.03352	0.4
245.03473	0.5
251.07642	0.5
255.02943	1.1
256.03360	0.8
257.03549	1.4
268.60309	0.3
271.02509	2.0
272.02795	2.0
273.03009	3.4
274.03534	0.3
283.10361	0.8
300.02765	2.8
301.03223	4.4
301.12918	0.3
302.03360	6.8
303.04108	3.7
322.34650	0.3
324.71970	0.3
328.18271	0.3
347.17255	0.6
405.21115	0.4
465.10120	11.1
465.19699	100.0
466.09756	1.1
466.20035	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.3
57.03437	0.7
57.26620	0.2
58.79515	0.2
59.01376	12.2
61.98830	10.1
65.00330	0.2
65.03947	0.4
66.68462	0.2
67.79475	0.2
69.03455	0.3
71.01379	4.0
72.99298	0.6
73.02953	1.0
75.00875	1.2
78.91880	0.7
81.03442	0.3
83.01396	0.7
85.02947	1.7
87.00887	0.4
88.98775	0.7
89.02448	1.7
89.51392	0.3
93.03465	65.2
94.03801	2.0
95.01402	0.5
95.05000	0.3
97.02953	0.3
101.02456	2.0
108.02177	2.1
109.02979	3.9
112.40318	0.2
113.02431	1.3
114.25046	0.2
117.03477	3.1
119.03513	0.9
119.05026	1.8
121.02962	2.0
122.03786	0.4
123.00897	4.0
123.04528	3.9
124.01665	0.3
124.04873	0.3
125.02478	1.5
133.03006	0.8
134.03746	0.3
135.04520	0.8
137.02458	100.0
138.02724	3.4
139.04027	0.3
139.11328	0.3
140.38014	0.3
145.02968	14.2
146.03328	0.5
147.04538	0.6
150.03241	0.3
151.00348	1.6
151.04022	1.9
153.01874	0.4
159.04538	0.7
160.01683	1.0
161.02448	0.8
161.04582	0.6
161.05989	0.4
163.04051	1.8
165.01921	0.4
173.04579	1.5
173.05896	0.3
174.46571	0.3
175.04018	1.4
176.01205	0.3
177.01936	4.5
178.02415	0.3
179.03526	0.4
181.05147	0.6
187.04008	0.6
189.01941	7.7
189.05528	0.4
190.02641	2.0
191.03557	1.7
191.05630	1.2
193.05128	0.3
199.13419	0.5
203.03482	0.9
203.07158	0.3
205.05093	0.5
211.07677	0.3
216.00702	1.3
217.01396	5.4
218.01880	0.6
219.02971	1.8
229.04903	0.3
229.08815	0.3
231.02969	2.0
233.04669	0.4
235.38426	0.3
271.02579	0.4
271.06082	1.1
281.04398	0.5
281.07089	0.3
284.03174	0.3
285.03979	0.5
287.05560	0.3
289.07181	0.9
297.04260	0.3
297.07632	0.6
300.02676	0.2
301.03604	0.7
301.07077	0.3
302.03598	0.3
303.18304	0.4
303.21790	0.7
313.07034	0.5
323.05594	0.3
341.06650	17.6
342.07040	2.0
355.08072	1.4
359.34982	0.3
396.14563	0.3
405.11966	1.3
405.20926	0.6
405.25482	0.5
462.56055	0.3
465.11850	8.1
465.17770	6.9
465.27066	7.3
466.12045	1.4
466.17899	1.1
466.27658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22385	0.9
56.34042	0.9
57.03445	7.8
58.00579	1.2
59.01377	84.9
61.98825	10.0
63.38953	0.9
65.00318	3.7
71.01385	15.1
72.99327	2.0
73.02950	1.9
75.00854	2.1
77.63332	0.8
78.95914	1.5
83.01378	5.6
85.02963	3.1
86.77039	0.9
87.00893	3.3
88.98812	4.6
89.02446	19.3
93.03490	2.3
95.01405	1.6
96.96967	2.1
97.06611	1.0
98.19833	1.9
99.00897	1.1
101.02440	9.6
107.01402	6.9
109.02953	4.1
111.00920	1.8
113.02455	6.1
119.03522	9.5
121.02962	3.4
123.04537	3.7
124.01670	2.0
125.02460	100.0
126.02780	3.4
131.03491	1.7
133.02998	1.0
137.02498	7.9
138.02762	1.1
139.04013	3.7
140.03563	1.0
143.03529	2.7
145.70299	0.8
147.04515	1.2
149.02470	16.2
149.04433	0.8
150.02974	0.9
151.00395	25.9
151.04050	2.8
152.01147	3.0
153.01964	25.9
154.02336	1.3
161.02438	1.7
161.04591	4.1
164.07166	1.2
165.01952	6.2
165.04045	2.0
166.02727	1.4
167.03497	2.8
169.01434	1.5
174.03227	1.4
175.00410	4.5
175.04010	7.7
177.01950	28.4
178.02261	2.1
178.99889	20.6
179.03471	6.2
179.05598	6.3
180.00281	1.1
180.04274	3.6
180.05894	0.8
181.01450	13.3
188.04805	1.7
189.05553	4.8
191.03500	2.7
191.05608	2.4
192.04358	5.2
193.05115	1.4
194.05844	2.6
195.02994	2.5
195.06653	13.1
199.03989	5.9
199.29488	0.9
201.01991	1.9
207.06598	2.3
210.05428	1.3
213.05611	1.0
215.07137	1.0
216.04337	1.1
217.05061	6.3
225.07672	4.4
231.06702	1.1
241.05072	5.9
243.03180	1.3
256.03714	1.4
257.04440	1.7
259.06082	3.3
275.05591	22.1
276.05911	1.8
285.04037	49.8
286.04343	5.4
299.05548	7.5
303.05109	88.2
304.05472	8.3
309.04089	1.0
313.05646	1.3
315.07187	1.4
327.05206	1.4
341.05157	8.2
343.06610	7.6
357.12128	5.2
387.12894	3.5
405.21274	5.5
437.10916	1.2
447.09225	3.8
465.10175	2.0
465.15637	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82988	0.3
57.03455	0.8
58.00559	0.3
59.01376	15.3
60.99298	0.8
61.98827	13.2
65.00319	0.7
67.01875	0.5
68.15277	0.3
69.03455	0.5
71.01382	5.0
71.05027	0.4
71.59342	0.3
71.59737	0.3
72.99312	0.7
73.02946	1.0
74.36800	0.3
75.00869	0.5
78.90356	0.3
81.03453	0.7
83.01389	1.4
85.02948	2.0
87.00881	0.7
88.98808	5.6
89.02440	2.7
89.03996	0.4
91.01903	0.5
93.03465	8.7
94.03799	0.4
95.01385	1.0
95.05029	1.6
97.02969	0.9
99.00906	0.4
101.02460	2.9
103.05578	0.4
107.01381	0.4
108.02182	8.5
109.02962	19.2
110.03315	0.8
111.04591	0.5
113.02451	2.1
117.03483	2.1
119.03547	0.8
119.05045	2.7
121.02959	2.3
122.03741	1.3
123.04539	19.3
124.01662	1.4
124.04856	1.0
125.02463	3.0
133.02971	3.3
134.03734	1.6
135.04521	1.3
136.01648	1.5
137.02452	21.9
137.06056	0.6
138.02776	0.5
139.04077	0.8
139.11319	0.5
143.05139	0.4
145.02956	6.6
146.03656	0.6
147.04518	3.0
148.01685	0.5
149.02467	3.2
149.06050	1.2
149.67715	0.3
150.03256	1.0
151.00380	1.1
151.04018	9.1
154.02563	0.4
155.07147	0.4
155.10770	0.4
158.03769	0.5
159.03316	0.4
159.04453	1.7
160.01651	3.6
161.02454	3.7
161.04614	0.7
161.06123	1.2
162.03192	1.3
163.00421	0.7
163.04001	1.9
164.01262	0.7
165.02010	1.0
171.08218	0.5
173.02383	0.8
173.04564	2.7
173.06017	0.8
175.04001	5.9
175.07564	0.4
176.01170	1.5
176.04669	0.6
177.01938	24.5
178.02335	1.1
178.12224	0.4
179.03508	7.8
179.05609	0.9
180.03842	0.4
183.10316	0.5
185.06114	0.4
187.03987	3.7
188.04854	1.9
189.01930	29.9
189.05515	1.2
190.02687	10.0
191.03528	6.3
191.05539	1.0
199.04031	0.5
203.03473	3.3
203.07185	1.9
205.04993	1.3
209.04546	1.1
211.13387	0.4
213.05635	0.4
214.02715	0.4
216.00633	7.7
217.01408	23.5
218.02014	2.8
219.03001	10.4
220.03539	0.5
220.88792	0.4
221.08125	0.4
222.01669	1.3
223.16974	0.4
225.11168	0.5
227.03441	0.6
227.07111	2.2
229.05174	0.5
229.08640	2.2
229.14516	1.0
231.02945	8.3
232.03645	1.4
233.04533	0.9
239.05612	6.4
240.04041	0.6
242.05785	0.4
243.02907	0.6
244.03798	0.9
245.08151	2.2
253.05191	0.5
253.08847	0.4
254.05765	0.5
255.02846	0.6
255.06592	1.0
256.03528	0.7
257.04514	0.8
259.06018	1.7
265.04828	0.6
269.08075	0.5
270.05399	0.5
271.06100	7.1
272.06543	0.5
273.07629	0.4
279.06726	0.6
281.04086	6.7
281.06815	4.2
282.04944	0.9
284.03326	0.5
285.04099	1.3
289.07153	8.9
290.07516	1.3
297.04248	0.7
297.07529	4.6
298.04785	0.5
298.08047	0.6
299.04892	0.5
299.07770	1.4
300.02530	0.7
301.03827	0.7
301.07150	3.2
313.07214	1.9
323.05515	1.5
341.06650	100.0
342.06958	10.5
342.11099	0.5
343.08240	0.5
355.08215	8.1
356.08502	1.0
405.20596	0.6
421.13168	0.5
421.19604	0.5
444.12906	0.4
465.11844	38.9
465.17529	2.8
465.22644	1.2
466.12241	6.1
466.18277	0.8
468.40131	0.4
479.22864	2.5
480.22897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77979	0.8
57.03465	3.9
58.00599	1.2
59.01377	53.9
60.01712	0.9
61.98822	7.4
70.87324	1.8
71.01381	11.5
72.99308	0.9
73.02946	2.2
75.00895	1.3
83.01403	3.1
85.02965	2.9
87.00878	4.0
89.02440	8.7
93.03465	1.3
95.01402	1.6
99.00881	1.6
101.02450	4.8
107.01405	3.1
109.03010	1.6
110.39154	0.9
111.00941	1.0
113.02468	5.3
119.03546	3.8
123.04525	2.4
125.02462	43.6
126.02827	1.2
126.62914	0.8
137.02449	4.2
139.03987	1.7
149.02452	8.3
151.00371	11.5
151.04004	2.3
152.01128	1.6
153.01962	12.3
154.02295	1.0
156.15747	0.8
161.02431	1.0
161.04561	7.0
164.01158	2.2
165.01941	21.0
167.03499	1.6
169.01468	1.3
174.03278	1.4
175.00407	2.3
175.03983	4.9
177.01942	15.2
178.02426	1.1
178.99915	7.5
179.03523	41.2
179.05614	5.3
180.04306	25.7
181.01468	6.0
181.04634	1.2
189.05591	1.6
191.03487	1.2
191.05399	0.8
192.04344	4.0
193.04993	1.2
194.05879	16.3
195.02971	2.7
195.06641	100.0
196.07027	4.7
199.04045	2.5
207.06549	1.2
210.05357	1.4
217.05086	3.1
225.07681	22.7
227.03592	0.8
241.04965	2.0
243.03206	0.8
259.06113	2.0
275.05597	10.2
285.04037	20.6
286.04401	1.7
299.05658	2.3
303.05087	37.6
304.05527	3.5
327.05215	1.0
341.05124	2.7
343.06644	2.0
357.11917	29.4
358.12283	2.5
405.21368	4.4
437.10901	1.2
447.09354	1.8
465.16318	4.7
465.22595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.1
61.98827	2.3
71.01384	1.1
73.02942	0.4
74.79919	0.4
83.01398	0.5
83.14901	0.3
85.02967	0.4
88.50450	0.3
89.02455	0.5
89.03956	0.4
93.03471	1.2
95.05035	1.9
97.02964	0.4
101.02473	0.7
103.05539	0.5
105.03437	0.6
108.02191	12.3
109.02970	16.4
110.03292	0.5
113.02489	0.5
117.03490	1.7
119.05041	1.5
121.02991	1.3
122.03733	0.5
123.04537	20.8
124.01681	0.4
124.04832	0.6
125.02444	1.0
133.02971	3.3
134.03719	0.6
135.00838	0.6
135.04549	0.6
137.02454	1.6
139.04059	0.5
145.02971	2.6
147.04538	3.9
148.01683	0.6
149.02448	1.7
149.06091	0.4
150.03236	1.2
151.04025	7.4
152.04340	0.6
159.04488	1.7
160.01669	3.0
161.02458	2.7
161.06123	0.5
162.03188	1.0
163.04015	1.2
164.51497	0.4
173.02357	0.4
175.04034	4.9
176.01166	1.2
177.01945	24.6
178.02251	1.6
181.99342	0.4
185.06137	0.4
187.03995	2.5
188.04732	0.8
189.01945	51.5
190.02702	12.9
191.03505	12.7
192.03824	0.6
201.01955	0.4
203.03519	6.4
203.07297	0.6
205.05011	0.6
216.00633	8.8
217.01419	39.7
218.01988	4.3
219.02972	14.1
220.03246	1.0
221.07991	0.4
227.07024	0.7
228.04321	0.4
229.08694	0.4
231.03000	12.5
232.03569	1.4
233.04477	1.2
241.04996	0.5
245.08125	0.5
258.05347	0.4
259.06070	0.5
264.18466	0.4
271.03140	0.4
271.06091	3.1
281.04544	2.5
284.03339	0.5
285.04111	0.5
289.07172	4.1
297.04306	0.8
297.07693	2.0
298.04691	0.5
299.05487	0.4
301.07162	1.0
305.04401	0.5
313.07108	1.7
323.05643	2.5
325.03668	0.6
341.06668	100.0
342.07001	9.1
343.08502	0.5
355.08261	8.0
356.08600	1.0
465.11902	54.3
466.12192	7.6
466.18381	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03379	1.1
59.01289	29.4
59.01620	4.7
59.01789	1.2
61.98737	15.7
61.99096	2.4
65.00251	1.7
69.73553	2.4
69.73962	1.7
71.01288	7.5
72.99228	0.8
73.02862	2.9
75.00776	2.8
82.72150	0.7
83.01292	2.0
85.02854	3.6
87.00816	1.2
88.98772	1.2
89.02355	2.5
89.03880	0.7
93.03355	2.2
93.03892	0.7
94.60720	0.6
95.01266	0.7
95.04939	1.7
99.00813	0.9
99.04470	0.8
101.02448	5.5
107.01331	1.5
108.02183	9.4
108.33128	0.6
109.02974	15.1
113.02345	2.6
117.00951	0.6
117.03408	1.6
119.03465	0.9
119.05034	3.9
121.02933	4.5
122.03643	1.0
123.04530	19.5
124.04766	0.8
125.02338	2.5
125.09624	0.8
131.04997	0.8
132.01891	0.6
133.02840	2.3
134.03662	1.3
135.00790	0.6
135.04428	2.0
137.02325	2.3
137.09668	0.8
139.00378	4.7
139.03917	0.8
140.01173	3.4
145.02937	4.5
147.04544	3.1
149.02327	1.9
150.03165	1.5
151.00369	5.7
151.04002	7.3
152.00664	1.4
153.00739	1.4
155.10739	1.3
159.02992	0.6
159.04431	1.9
160.01666	4.3
161.02446	3.5
161.04446	1.8
161.05904	0.7
162.02902	0.8
163.04066	4.2
164.98218	2.4
173.04416	1.1
175.03984	5.5
176.01088	1.3
177.01936	23.8
177.87849	0.6
178.02100	0.6
178.99741	2.7
179.03395	0.7
179.05515	1.0
180.00073	1.4
181.08592	0.8
182.99361	6.3
187.03961	1.4
187.09702	1.0
189.01933	51.9
190.02681	11.9
191.03513	11.7
191.05293	0.8
198.01599	2.4
199.09694	1.0
203.03526	6.0
204.03894	0.7
211.07660	1.1
215.07237	1.3
215.98813	0.8
216.00621	9.2
217.01392	36.1
218.01900	3.4
219.02972	13.3
220.03334	1.0
227.06952	0.8
231.02997	11.4
232.03331	1.3
233.04449	1.2
245.08131	1.0
249.06110	1.5
271.05991	4.4
281.04504	2.1
289.07080	4.5
295.02457	0.8
297.03989	1.5
297.07565	1.2
301.03421	3.6
301.06891	1.4
302.04013	3.1
303.04071	6.9
303.13116	0.7
313.07074	1.6
323.05637	2.0
341.06638	100.0
342.06943	10.7
345.10110	1.4
355.08206	8.5
356.08923	0.8
405.25229	1.2
447.07291	3.7
465.11823	54.4
465.27045	37.5
466.12225	9.4
466.27325	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	465.1036
Annotation	(2R,3R)-Taxifolin 3-glucoside
Peak:m/z	Relative Intensity
57.03447	12.5
59.01377	24.4
61.98829	29.0
63.02399	0.6
65.00319	2.8
68.99837	0.8
69.03461	1.6
69.70049	3.8
71.01387	9.1
72.99308	1.1
73.02933	1.3
75.00873	2.1
75.99280	0.5
81.03448	0.7
83.01381	6.1
83.83981	0.5
85.02957	2.8
87.00881	1.9
88.98811	2.5
89.02441	10.6
91.01905	0.9
93.03471	1.6
93.61742	0.6
95.01385	5.0
101.02432	5.3
107.01421	3.6
108.02152	1.2
109.02987	4.4
111.00912	1.4
113.02482	3.2
119.03540	3.2
119.05035	0.7
121.02979	1.8
123.00912	2.6
123.04524	3.6
124.01665	10.3
125.02459	100.0
126.02824	3.7
131.03482	0.9
133.02972	2.1
135.04498	0.7
137.02470	4.2
139.00377	2.4
139.04039	1.0
143.03500	1.2
145.02951	1.2
147.04568	1.3
149.02438	4.6
149.04575	0.7
149.99588	2.2
150.03235	2.5
151.00395	11.2
151.04018	6.4
152.01169	15.9
153.01962	7.9
155.10767	4.6
159.04572	0.7
161.02457	2.5
161.04579	2.2
161.05952	1.1
163.00352	1.7
163.04047	1.3
164.88010	0.5
165.01968	0.9
165.05620	0.8
166.02727	0.8
167.10841	0.6
168.00636	2.4
169.01453	0.8
171.04518	0.6
173.06032	1.0
174.03230	1.8
175.04028	6.4
176.01158	2.3
177.01915	4.1
177.04062	0.9
178.99872	9.4
179.05646	3.8
180.00218	1.4
181.01440	0.6
187.04039	0.8
187.07507	0.7
188.04805	1.9
189.05605	4.6
191.03542	2.2
191.05615	2.2
193.05101	3.1
199.04089	1.8
199.09724	1.5
201.01970	0.8
203.07086	1.4
213.05637	1.2
215.03450	1.4
215.07158	1.9
216.04254	1.1
217.05077	9.2
217.80576	0.6
218.05234	0.6
219.03049	0.6
231.06548	2.3
235.06139	1.2
241.05058	2.3
241.09872	0.7
243.15826	0.8
247.81873	0.5
257.04575	2.1
258.05286	1.1
259.06097	13.0
260.06400	0.8
273.13553	0.9
274.04840	2.8
275.05573	7.6
284.03314	1.0
285.04022	25.6
285.08755	1.0
286.04428	2.1
303.05081	10.8
304.05283	1.3
347.17151	0.8
347.61285	0.6
359.20343	0.6
405.16611	0.8
405.21588	2.9
421.11453	2.3
437.10880	18.4
438.11276	1.8
447.09409	8.8
447.15164	1.2
448.09848	1.2
465.10345	98.0
465.19849	3.2
466.10574	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	464.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.2
61.98829	100.0
63.99265	0.5
71.01382	0.8
71.63954	0.4
73.02969	0.4
78.44277	0.3
78.95944	0.8
85.02966	0.7
89.02479	0.6
93.03464	0.6
101.02428	0.7
107.01410	0.5
109.02945	0.5
113.02486	0.5
119.05060	0.5
121.02939	1.0
123.04505	0.4
125.02484	1.0
135.04636	0.3
137.02477	0.7
138.99236	0.3
145.02971	0.8
151.00380	0.8
151.04277	0.4
152.99675	0.6
165.01988	0.5
179.88002	0.3
197.99219	0.4
199.00031	1.0
209.11926	0.5
211.07588	0.3
271.06186	0.9
301.03400	0.6
413.33539	0.3
414.13098	0.4
464.09494	0.4
464.21738	0.4
465.08179	0.7
465.21304	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1039
Annotation	Taxifolin 4'-glucoside
Peak:m/z	Relative Intensity
57.03447	6.9
58.00587	0.6
59.01379	35.7
61.98840	3.2
63.02403	0.6
65.00331	2.6
69.44145	2.1
69.44568	2.4
71.01386	11.9
72.99305	0.7
73.02951	1.4
81.03458	0.7
83.01391	5.5
85.02969	2.0
87.00901	0.7
89.02449	15.9
93.03433	1.4
95.01422	1.4
97.02960	0.7
101.02457	8.2
103.64851	0.5
107.01408	5.0
108.02187	0.8
109.02979	4.3
111.00877	0.6
113.02449	5.4
113.80907	0.5
119.03522	7.5
121.02961	1.8
123.00893	0.9
123.04565	4.1
124.01674	1.7
125.02466	100.0
126.02793	3.3
131.03543	1.1
137.02472	3.4
139.04045	3.0
143.03517	1.5
147.04510	0.6
149.02469	13.2
149.04466	0.8
150.03226	1.0
151.00388	27.2
151.04037	2.6
152.01122	2.6
153.01956	26.1
154.02351	1.3
161.02383	0.6
161.04601	3.8
161.05827	0.7
165.01945	1.6
166.02692	0.7
167.03511	2.5
169.01483	1.4
171.04468	0.7
171.34726	0.5
174.03252	1.9
175.00424	5.5
175.04030	10.0
176.01071	0.6
177.01945	18.7
178.99875	20.1
179.03419	0.9
179.04213	0.6
179.05652	5.5
180.00232	1.1
181.01447	14.6
182.01819	0.7
185.06084	0.7
188.04802	2.0
189.05658	3.5
191.03551	1.8
193.01405	1.1
194.17732	0.6
195.02997	2.3
199.03992	5.5
201.01904	1.7
205.01456	0.9
213.05605	1.4
216.04187	1.1
217.05055	5.4
227.07109	0.7
231.06651	1.3
240.04216	0.7
241.05058	6.0
256.03613	1.3
257.04535	1.4
258.05258	0.7
259.06116	3.5
275.05600	24.1
276.05920	1.6
284.03052	1.1
285.04041	48.7
286.04410	3.1
299.05624	8.2
303.05099	95.9
304.05466	8.3
309.04233	0.7
313.05493	1.1
317.06650	1.0
327.05060	1.4
329.06885	0.7
341.05115	7.9
342.05569	0.8
343.06738	8.1
405.21329	23.9
406.21649	2.6
437.10938	2.8
447.09296	4.1
465.10165	2.7
465.15988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.27
Annotation	Tritoniopsin D
Peak:m/z	Relative Intensity
57.03434	1.0
57.04435	0.2
59.01379	33.8
59.67913	0.3
60.01702	0.3
61.98832	2.9
69.35122	0.3
71.05020	0.3
71.63503	0.4
73.02951	1.4
78.95888	1.7
92.46522	0.3
96.96996	0.4
101.02451	1.7
107.01397	0.4
121.78519	0.3
151.00427	0.5
152.99585	0.9
165.01970	0.4
187.99599	0.3
230.60661	0.3
243.03201	0.4
255.03130	0.3
271.02579	0.4
279.17459	0.6
281.19031	1.3
300.02783	0.7
301.03403	1.3
309.18567	3.9
310.18851	0.5
327.19644	38.7
328.19977	4.7
341.21219	0.6
343.22717	0.9
353.21310	0.3
359.22287	1.5
361.20200	0.3
363.77356	0.3
371.22217	3.3
372.22626	0.4
374.20792	0.4
385.23901	1.2
387.21741	37.6
388.22092	5.4
402.23730	0.4
403.24863	5.8
404.25278	1.0
418.54169	0.4
431.24307	2.4
432.24466	0.4
434.23080	4.7
435.23349	0.5
463.26968	100.0
464.27335	15.9
464.33167	0.3
481.05466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67329	0.2
59.01371	0.5
61.98827	100.0
63.45660	0.2
69.44835	0.7
69.45269	0.9
69.52822	0.2
71.01405	0.4
79.04046	0.2
86.96775	0.2
93.03493	0.2
95.53149	0.2
113.02472	0.2
137.02501	0.3
241.05022	0.2
270.10458	0.2
275.87997	0.2
284.11261	0.2
404.15387	0.5
416.89676	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.2
61.98829	100.0
63.99265	0.5
71.01382	0.8
71.63954	0.4
73.02969	0.4
78.44277	0.3
78.95944	0.8
85.02966	0.7
89.02479	0.6
93.03464	0.6
101.02428	0.7
107.01410	0.5
109.02945	0.5
113.02486	0.5
119.05060	0.5
121.02939	1.0
123.04505	0.4
125.02484	1.0
135.04636	0.3
137.02477	0.7
138.99236	0.3
145.02971	0.8
151.00380	0.8
151.04277	0.4
152.99675	0.6
165.01988	0.5
179.88002	0.3
197.99219	0.4
199.00031	1.0
209.11926	0.5
211.07588	0.3
271.06186	0.9
301.03400	0.6
413.33539	0.3
414.13098	0.4
464.09494	0.4
464.21738	0.4
465.08179	0.7
465.21304	0.8
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
54.61435	0.4
55.01891	0.8
57.03449	1.1
58.00575	0.5
59.01378	10.1
61.98832	9.4
64.22376	0.4
69.03547	0.5
69.45023	1.0
69.45438	3.2
71.01385	7.7
72.99309	0.5
73.02958	1.8
74.02488	0.6
77.54724	0.4
83.01390	1.3
85.02950	2.4
87.00892	1.1
88.50683	0.4
89.02462	4.5
91.01903	12.8
93.03457	0.5
97.02976	0.5
101.02459	7.3
109.02962	1.4
113.02463	3.7
119.03508	1.3
121.02969	2.8
125.02466	1.4
129.01941	0.5
133.05136	0.5
135.00909	6.2
135.04536	2.5
137.02480	1.7
143.03520	0.5
145.03033	0.6
151.00415	0.5
153.01976	3.5
161.04601	2.3
163.04071	0.4
165.01944	0.9
165.12846	8.4
175.04059	0.4
175.40033	0.5
178.99866	16.0
180.00189	1.2
183.13908	100.0
184.14268	6.8
197.00972	1.6
209.10120	0.4
209.11723	2.4
221.92836	0.4
227.12881	8.4
228.13202	0.8
235.08275	1.7
238.86774	0.5
253.09273	7.3
300.02722	1.0
301.03497	1.3
445.20612	0.6
463.08798	15.5
463.21796	75.3
464.09360	2.4
464.16156	0.7
464.22131	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11520	0.3
55.01869	0.7
57.03444	1.0
57.04029	0.3
59.01377	18.0
61.98832	4.6
63.02394	1.2
65.00022	0.5
65.00307	2.5
69.03466	0.5
71.01382	8.2
71.05035	0.6
71.29600	0.3
71.56985	0.6
72.01666	0.5
72.99308	1.6
73.02956	5.3
75.00877	0.5
76.85467	0.3
81.03456	0.4
81.05772	0.4
83.01392	3.0
83.05047	0.4
85.02956	4.5
85.71940	0.3
87.00892	0.9
87.04508	1.7
88.98835	0.6
89.02463	3.3
93.03479	1.5
95.01398	0.8
95.05029	0.4
97.03004	0.4
99.00890	1.3
99.04566	0.3
99.76998	0.3
101.02460	6.1
107.01395	6.4
107.13502	0.4
108.02221	0.9
109.02989	0.9
111.00941	0.4
113.02460	3.4
119.03527	0.8
119.07178	1.6
121.02976	5.4
122.35527	0.3
125.02454	1.2
131.03537	0.5
135.04532	0.6
135.08167	2.7
137.02467	1.2
137.09737	10.6
138.10112	0.5
139.11313	5.1
143.03569	0.4
145.02982	0.5
148.01688	0.4
149.02495	0.6
151.00383	24.5
151.03998	0.6
152.00797	1.3
153.01990	0.5
155.10794	57.5
156.11151	2.8
159.03023	0.5
161.02473	0.6
161.04549	1.4
161.05774	0.4
163.04004	0.7
163.11316	0.5
164.01097	0.5
165.01872	0.4
169.01418	1.3
169.12274	0.5
175.03978	0.6
178.99876	11.6
179.03444	0.5
181.08717	2.8
181.12318	2.2
183.10266	5.6
184.68024	0.3
185.11833	1.6
191.05615	2.8
197.04709	0.4
199.09769	12.7
199.13438	0.6
200.10118	0.8
211.13113	0.4
213.11325	0.5
219.03009	1.0
225.11279	0.6
227.03575	0.4
227.07077	0.4
227.12894	0.8
229.05017	0.5
237.09804	0.5
241.10774	1.0
243.03001	0.7
243.12555	0.5
245.04623	0.4
255.03014	0.7
255.05956	0.3
271.02347	0.9
272.03354	0.5
273.03925	1.8
281.12311	0.9
283.12036	0.5
299.02170	0.5
300.02664	1.9
301.03528	43.2
301.20343	0.6
302.03833	4.9
333.73334	0.3
385.12296	0.4
435.09644	0.4
445.20532	1.3
463.08688	16.1
463.21664	100.0
464.09079	2.6
464.21994	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94389	0.4
57.03448	2.1
58.00574	0.5
59.01377	67.5
60.01714	0.5
61.40665	0.4
61.98835	5.1
65.00317	0.7
69.03468	0.5
69.43742	3.4
71.01383	8.5
72.99326	1.2
73.02940	4.3
73.03230	0.4
75.00873	1.4
78.71292	0.5
83.01411	1.4
83.05038	0.6
85.02956	4.2
85.70202	0.4
87.00893	0.7
87.04540	0.7
89.02435	2.7
91.01937	1.4
93.03467	1.9
95.01424	0.7
98.20643	0.8
99.00906	1.6
101.02451	6.7
107.01402	1.5
108.02174	0.6
109.02979	1.8
109.44180	0.5
113.02468	2.8
119.03545	0.6
119.05066	0.6
123.04567	0.8
125.02450	1.5
132.13000	0.4
133.02927	0.5
133.06583	0.6
133.70102	0.4
134.03767	2.2
135.00905	3.5
135.04492	0.6
136.05331	0.8
137.02464	3.4
137.09740	1.9
139.11304	19.6
140.11638	1.0
145.02969	1.1
146.03355	0.5
149.06123	1.1
151.00352	5.1
153.01961	4.2
155.10797	7.0
159.03008	0.8
160.01706	0.6
161.02463	0.8
161.04570	3.4
163.11275	1.2
165.09181	0.9
175.04053	0.8
178.99879	1.1
179.05623	0.7
181.08708	1.0
181.12358	8.3
183.10268	26.7
184.10587	1.8
185.11856	0.9
191.05568	0.6
199.09772	2.1
199.13440	1.0
219.90582	0.4
225.11258	2.9
237.09731	3.1
241.10802	1.1
241.72343	0.5
243.12337	1.6
271.02408	0.8
281.06616	1.3
293.08878	0.7
300.02612	1.9
301.03482	3.5
301.07120	11.0
301.20184	0.7
302.07416	1.0
323.07767	0.4
325.07758	0.5
343.08395	0.6
403.23572	0.8
427.16165	1.4
445.20514	4.7
463.08179	3.1
463.21661	100.0
464.08875	0.9
464.15564	0.7
464.21915	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	463.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50771	0.6
59.01377	12.4
59.04012	0.5
61.98827	1.7
70.87656	1.4
70.87991	0.9
71.01382	9.8
73.02961	4.9
79.65382	0.6
83.01416	1.3
85.02950	3.9
87.00892	0.9
89.02440	7.6
93.03458	34.0
94.03836	1.2
95.01393	1.3
99.00912	1.0
101.02453	9.2
106.59764	0.6
113.02448	4.2
115.04014	0.9
119.03507	1.8
131.03619	0.7
135.04533	1.2
136.01662	8.0
137.02452	92.8
138.02797	2.9
149.02402	0.8
151.04022	4.3
161.04611	0.9
163.06111	1.4
178.23439	0.6
179.03496	32.1
180.03876	1.5
181.07185	6.9
191.03616	0.7
209.04568	5.2
218.71690	0.7
239.05597	29.2
240.05928	1.6
281.06625	7.0
299.07693	7.6
300.08078	0.7
325.11310	1.9
463.14526	100.0
464.14886	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	463.147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.6
58.00581	1.4
59.01097	0.8
59.01382	9.1
61.98530	0.9
61.98829	13.7
63.52094	0.5
67.00106	0.4
71.01386	3.4
72.99282	0.6
73.02948	1.6
75.00880	4.3
76.57819	0.4
77.97178	0.5
83.05109	0.5
85.02959	1.6
87.00862	0.7
89.02464	3.0
93.03459	0.7
95.15239	0.5
98.19916	1.5
99.04563	0.5
99.97446	0.5
101.02451	2.6
111.00906	1.6
113.02470	2.0
117.03491	2.1
119.03530	0.8
119.05051	2.4
121.02950	0.6
125.02460	1.5
129.01990	0.6
131.77501	0.4
137.02429	1.2
143.03484	0.7
145.01883	0.9
145.02971	10.8
145.07710	1.0
146.06126	1.0
148.07800	0.6
161.04625	1.6
163.04050	1.6
167.05833	0.7
172.08830	1.8
173.04651	0.8
177.59364	0.5
179.05629	1.0
191.05614	1.1
198.06734	8.7
199.07069	0.6
204.06662	1.4
209.11745	0.6
211.07625	0.5
214.09859	1.9
223.13472	0.9
224.11848	0.5
237.06441	0.6
241.07304	65.2
242.07832	19.2
243.08801	8.8
243.31915	0.5
249.06146	1.1
256.09479	2.4
257.10413	4.4
269.10431	0.7
271.14566	1.3
283.10992	0.6
285.09915	9.5
286.10196	1.4
299.11435	2.1
307.08249	3.8
311.11435	2.2
311.83414	0.6
329.15036	2.2
341.04837	0.6
343.13107	0.7
353.12570	2.1
358.12750	1.1
359.13397	1.1
373.14096	9.7
374.14468	0.9
376.13980	3.4
377.14648	6.3
385.14163	1.1
401.14816	3.9
402.14780	0.7
403.15247	1.1
403.19894	1.1
419.15698	100.0
420.10605	0.9
420.16034	11.0
463.17197	7.1
463.23444	0.8
464.17728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.7
58.00605	4.8
59.01379	41.3
61.98830	52.2
69.32932	0.7
69.36063	0.7
71.01385	23.2
71.65321	0.9
71.65721	0.9
72.99318	1.6
73.02940	3.3
73.13609	0.7
74.64838	0.7
75.00887	5.0
81.03427	0.8
83.01405	1.5
85.02962	6.1
86.03308	0.7
87.00886	2.1
89.02449	18.9
93.03464	10.5
95.01387	1.3
95.72490	0.8
99.00901	2.2
99.04508	1.2
101.02444	12.8
109.02905	0.9
109.06573	1.1
111.00907	1.8
113.02454	10.2
118.06598	1.0
119.03525	6.2
119.05002	1.2
121.02975	2.3
122.06177	1.1
125.02495	1.3
127.07642	3.2
131.03534	2.1
132.04539	1.1
132.07916	1.0
137.02466	24.0
138.02722	1.2
141.09340	0.8
143.03577	1.8
145.02957	4.2
146.06168	4.3
148.07693	2.3
149.04475	1.0
153.09209	2.0
155.10779	1.6
159.02907	0.8
160.04060	2.6
161.04810	43.6
162.05666	8.2
163.06087	0.8
164.03577	2.6
165.04286	0.9
167.05894	1.5
171.06657	2.5
172.08855	1.2
173.04419	0.9
174.05630	1.4
175.02736	3.4
175.06456	0.8
177.04044	1.0
179.05634	7.7
188.06984	0.9
191.05733	1.2
192.03107	5.4
193.03799	18.8
194.04449	1.4
198.06778	4.5
204.06633	3.2
205.07408	1.2
209.11787	2.0
237.06425	2.6
240.10159	0.8
241.07292	27.4
241.14362	2.0
242.07735	7.1
243.08810	3.2
253.06303	1.1
256.09589	1.2
257.10489	1.8
271.14532	4.0
283.10873	100.0
284.11179	10.5
285.09875	3.6
297.12366	0.9
299.11307	1.3
307.08112	1.3
327.14545	2.1
329.15082	5.7
343.13025	2.1
345.15472	3.6
373.14044	23.6
374.14365	2.5
377.14447	3.8
385.13855	1.8
385.18533	1.2
401.14502	1.6
403.14975	3.2
403.19714	10.1
419.15710	39.5
420.16162	4.2
463.17413	22.1
464.17661	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	463.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
57.03446	1.3
58.00599	2.7
59.01381	13.2
60.01716	0.5
61.98833	20.2
69.30519	5.1
71.01385	7.6
72.99305	0.7
73.02946	1.8
75.00875	6.8
83.01402	0.7
85.02966	3.1
87.00885	1.2
89.02448	4.5
93.03477	1.5
95.01399	0.5
98.20638	1.1
99.00871	1.0
99.04508	0.8
101.02455	3.8
109.02950	0.6
111.00888	2.3
113.02486	2.9
115.53993	0.5
117.03506	2.8
119.03520	1.7
119.05049	3.4
121.02968	1.6
124.07691	0.7
125.02467	2.9
127.07654	1.0
132.04597	0.6
137.02475	3.5
141.09230	0.6
143.03514	0.5
145.02972	14.4
146.03261	0.6
146.06149	2.5
148.07707	1.6
151.04050	0.6
153.09215	1.1
155.10768	1.0
159.02962	0.5
161.04651	3.0
161.05843	0.5
163.04012	1.6
165.04327	0.5
167.05925	1.3
172.08820	1.8
174.05701	0.8
175.02483	0.6
175.06447	0.7
177.04039	0.5
179.05707	1.5
188.07161	0.5
190.78677	0.5
191.05614	1.3
193.03802	0.7
195.05122	0.8
198.06757	9.8
199.07092	0.8
199.09525	0.6
200.08235	0.5
204.06631	2.2
209.11862	1.4
214.09894	2.3
214.11649	0.6
223.13353	1.4
229.10239	0.5
237.06468	1.5
241.07303	67.0
241.14464	1.9
242.07816	18.3
243.08846	7.6
249.06364	1.0
251.77667	0.5
256.09445	3.5
257.10413	4.3
267.07028	0.4
269.10303	0.8
271.09161	0.7
271.14526	3.3
272.14999	0.4
273.27460	0.5
283.10825	2.3
285.09961	8.7
285.17026	0.8
286.10052	0.9
297.12457	0.7
299.11435	2.3
299.14383	0.8
301.03635	0.6
301.06888	0.5
307.08188	5.0
311.11285	2.2
329.15051	4.9
343.13055	1.6
353.12375	1.3
355.12982	0.7
358.13120	0.9
359.13846	0.9
373.14056	18.4
374.14294	1.7
376.14005	2.3
377.14722	6.1
385.14069	1.9
401.14645	4.6
403.15005	2.1
403.19778	2.9
404.14941	0.6
419.15686	100.0
420.10764	0.5
420.15976	12.2
427.14807	0.5
445.16580	0.8
463.17285	13.3
464.17834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01380	10.8
70.01572	0.9
70.01969	1.7
71.01382	10.1
72.99298	0.8
73.02943	3.3
78.36520	0.5
78.95882	0.7
83.01401	1.0
85.02956	3.5
87.00889	2.0
89.02443	6.0
93.03465	32.5
94.03810	1.0
95.01476	0.6
97.02964	1.0
98.20634	0.7
99.00909	1.0
101.02452	9.2
105.01942	0.8
107.05054	0.6
108.02203	0.9
109.02941	0.6
113.02444	4.4
119.03539	2.0
123.04529	1.0
131.03520	0.8
135.04536	1.2
136.01671	7.3
137.02463	97.0
138.02832	3.3
149.02470	1.0
149.04553	1.6
151.04034	3.8
153.05591	1.4
161.04585	0.7
163.06215	1.3
165.04047	1.8
179.03520	30.9
180.03792	1.2
181.07204	5.9
209.04532	4.6
215.83922	0.5
221.04509	0.7
239.05614	23.7
240.05946	1.5
281.06662	2.7
299.07715	5.1
325.11398	1.7
373.08813	0.6
424.03546	0.6
463.14542	100.0
464.14893	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	463.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89161	0.4
53.07084	0.4
55.01874	0.5
59.01086	0.6
59.01376	9.7
63.96584	0.5
64.76473	0.4
65.11607	0.4
69.38339	0.4
69.77471	2.8
71.01383	7.8
73.02950	1.6
74.48612	0.4
82.93579	0.5
83.01385	1.1
85.02957	3.1
86.47452	0.4
87.00894	0.6
89.02460	4.5
92.02704	0.8
93.03464	33.0
94.03778	1.1
95.01399	1.1
99.00910	0.5
101.02454	9.0
107.05017	0.6
108.02192	0.8
113.02479	2.9
119.03510	1.6
121.03001	0.7
125.02372	0.4
129.43143	0.4
131.03510	1.0
135.04524	1.1
136.01674	6.7
137.02458	92.4
138.02834	2.8
143.03520	0.6
149.02463	0.9
151.04025	3.2
153.26183	0.4
163.03984	0.5
163.06111	1.8
179.03510	25.3
180.03848	0.9
181.07188	3.9
209.04533	3.6
220.70168	0.4
239.05598	17.2
240.06015	0.8
281.06638	1.6
299.07684	3.9
325.11337	1.9
463.14529	100.0
464.14886	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	463.088
Annotation	Enzalutamide
Peak:m/z	Relative Intensity
59.01371	2.8
59.58670	0.5
61.98830	1.1
65.00329	0.8
65.03953	1.0
65.60888	0.3
66.65292	0.4
67.01897	1.1
71.01385	3.1
74.62353	0.3
84.54242	0.4
89.02448	0.6
91.01901	80.3
92.02257	2.1
98.20715	0.5
101.02483	0.7
102.15591	0.4
109.02962	4.2
113.02417	0.5
121.02968	12.7
122.03300	0.4
135.00897	34.8
135.04532	11.3
136.01215	1.6
136.04883	0.8
149.02452	1.0
153.01950	18.2
154.02383	0.4
163.00389	0.4
163.03983	1.0
165.12837	0.6
167.03529	0.6
178.99873	100.0
180.00215	4.6
183.13889	5.2
197.00906	9.1
221.00841	1.3
227.12917	0.8
323.04166	0.6
341.05176	1.4
445.07831	2.8
463.08789	81.6
463.21912	5.3
464.09140	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.088
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03451	0.4
59.01377	3.4
61.98829	10.2
63.02391	0.8
65.00323	1.3
69.46864	1.7
69.47292	0.8
71.01383	2.8
73.02943	0.8
83.01370	1.5
85.02961	1.4
89.02456	1.8
91.01913	0.4
93.03476	0.7
95.01356	0.3
97.03045	0.3
99.00908	0.4
101.02468	1.9
107.01391	3.6
108.02187	1.5
109.02960	1.2
113.02462	1.3
119.01371	0.6
119.03544	0.4
121.02970	3.4
121.05083	0.8
125.02410	0.4
135.00932	1.0
135.63783	0.2
148.01668	1.8
149.02467	0.6
149.04498	0.4
151.00386	13.6
152.01041	0.3
153.01926	0.3
153.09239	2.3
153.10277	0.4
155.10793	0.3
161.02403	0.6
161.04614	1.0
163.00380	2.9
164.01154	1.1
169.01471	0.5
171.04553	0.3
175.00359	0.3
178.99869	5.9
187.03946	0.3
192.00621	0.5
193.01518	0.4
198.03188	0.3
199.03934	0.9
201.05565	0.4
203.03520	0.3
211.03978	1.1
215.03490	0.6
216.04280	0.5
217.04863	0.4
226.02713	2.6
227.03517	3.1
228.03960	0.4
229.05038	1.0
243.02966	12.7
244.03525	0.9
245.04443	1.7
254.02234	2.2
255.02965	27.0
256.03357	2.2
257.04636	0.7
265.09549	0.3
271.02454	65.8
272.02856	5.9
273.03967	1.3
283.02460	1.4
283.10361	0.8
284.02780	0.4
299.01816	1.4
300.02744	100.0
301.03476	56.9
302.03842	4.0
331.17813	1.3
343.04523	0.8
347.17194	0.8
463.08780	82.2
463.22449	1.8
464.09113	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	461.2905
Annotation	Hongdoushan C
Peak:m/z	Relative Intensity
54.31199	0.2
57.03392	0.7
59.01324	17.7
59.01649	1.3
60.01677	0.2
60.99258	1.2
61.98779	0.8
65.85538	0.2
66.12992	0.2
66.44266	0.2
67.28002	0.2
69.29504	1.7
71.01344	0.4
71.04961	0.2
73.02949	3.4
78.95922	0.9
81.91889	0.2
83.05002	0.4
99.04465	0.2
100.59061	0.2
109.06497	0.3
121.02926	0.3
121.06562	0.3
152.99590	1.7
184.30220	0.2
207.10205	0.3
255.21361	0.2
264.21304	0.3
269.18823	0.3
270.01608	0.2
271.20731	0.3
283.20801	0.2
285.22159	0.5
299.20065	0.4
299.23514	0.3
301.25424	1.3
315.23193	0.4
318.45193	0.2
325.21756	0.5
327.23370	0.5
337.25323	2.6
338.25723	0.5
339.23169	0.6
339.27066	0.3
353.24838	1.1
355.22437	0.3
355.26453	2.5
356.26871	0.2
357.27960	0.5
365.24557	0.2
373.27374	0.3
381.24283	0.4
383.25909	8.6
384.26373	1.1
401.27008	61.8
402.27377	9.6
405.26114	0.2
419.28088	0.3
461.29144	100.0
462.29462	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	461.2909
Annotation	Verbacine
Peak:m/z	Relative Intensity
52.23137	0.1
59.01373	0.5
59.49512	0.1
60.99314	0.6
61.98825	0.8
71.01383	0.1
71.35846	0.2
73.02960	0.1
78.95921	0.2
83.05020	0.2
85.95269	0.1
93.03414	0.1
109.06613	0.4
152.99577	0.2
153.59900	0.1
195.13959	0.1
274.43298	0.1
355.26440	0.3
359.22092	0.1
373.27679	0.2
381.28058	1.4
382.28506	0.3
397.27652	0.8
399.29071	9.6
400.29355	1.6
401.23285	0.2
413.27072	0.5
415.28522	6.9
416.28802	1.0
417.30212	2.1
418.18604	0.2
418.30597	0.2
443.28000	6.5
444.28488	1.2
461.29089	100.0
462.29425	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	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87587	0.3
56.72618	0.3
57.01757	0.3
59.01388	0.5
61.80320	0.2
61.98829	100.0
69.74241	1.2
71.95657	0.3
86.08137	0.3
98.19977	0.6
261.22794	0.3
279.10309	0.3
314.87021	0.3
390.09402	0.4
446.58185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
57.03445	0.9
58.00597	0.4
59.01377	17.8
60.01711	0.3
61.98827	5.1
63.02398	3.0
65.00320	5.6
69.51314	0.5
69.51712	1.9
71.01383	5.6
71.05028	0.2
72.99313	0.7
73.02955	2.5
75.00881	0.6
83.01384	5.1
83.05034	0.4
85.02950	2.6
87.00890	0.3
87.04524	1.4
89.02454	1.6
93.03464	1.9
95.01383	0.7
95.05046	0.4
97.06633	0.3
99.00924	0.6
99.04518	0.3
101.02460	3.7
107.01398	14.0
108.02225	0.4
109.02957	0.9
113.02457	2.1
119.03515	0.5
119.05006	0.3
119.07133	0.6
121.02964	10.8
122.03312	0.3
123.04539	1.0
124.01665	0.7
124.04868	0.3
125.02451	1.4
129.02040	0.3
133.03003	0.2
135.04506	0.6
135.08145	1.3
137.02448	0.9
137.09743	4.0
138.10049	0.2
139.04016	0.5
139.11296	4.8
145.02921	1.4
146.03264	0.4
147.04533	0.4
148.01648	0.4
149.02443	1.8
151.00381	56.9
152.00700	2.5
153.01878	0.4
153.05621	0.4
155.10789	22.9
155.75842	0.2
156.11160	1.0
159.03046	0.3
159.04518	0.4
161.02440	0.9
161.04556	0.8
162.02913	0.4
163.00345	1.0
163.04024	0.7
163.11378	0.3
164.01102	0.6
164.04530	0.3
165.01932	0.3
165.09198	0.5
167.10822	0.3
169.01422	2.9
169.12357	0.5
170.01859	0.3
173.04604	0.3
175.00412	0.3
175.03949	0.4
177.01869	0.3
178.99869	24.7
180.00180	1.3
181.08716	1.3
181.12352	2.2
183.10262	6.4
185.11821	2.3
187.04068	0.4
191.03717	0.2
191.05623	0.9
192.00652	0.5
193.01501	0.8
199.09752	4.9
199.13403	1.5
200.04774	0.3
201.05751	0.4
203.03448	0.3
205.05042	0.4
209.11780	0.2
211.04005	0.8
219.02971	1.3
225.11400	1.2
227.03497	0.8
227.12862	1.0
228.04182	0.5
229.05029	1.4
237.09804	0.7
241.10796	0.4
243.02881	0.6
243.12407	0.7
245.04533	1.1
255.03038	0.8
257.04605	1.0
271.02402	1.4
272.03299	0.5
273.04028	3.7
281.06610	0.5
283.02469	0.3
283.19104	0.4
297.03995	0.3
299.02097	0.6
300.02725	3.4
301.03522	100.0
302.03860	8.8
307.08560	0.3
309.08752	0.4
311.05652	0.4
443.83829	0.2
445.20709	1.0
446.20889	0.2
463.08759	40.0
463.21631	52.4
464.09100	5.5
464.21991	6.3
473.84012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
56.99806	0.4
57.03445	2.3
58.00594	4.7
59.01376	100.0
59.98507	0.5
60.01709	1.0
61.98828	18.1
65.15065	0.3
69.03454	2.9
71.01383	59.0
71.04998	0.5
71.59362	0.7
72.01725	1.0
72.99312	6.8
72.99689	0.7
73.02949	21.2
74.33133	0.4
75.00871	1.6
75.63762	0.4
75.67748	0.4
81.03465	0.8
82.15769	0.3
83.01385	4.6
85.02956	19.6
86.00110	3.1
86.03296	0.5
87.00333	0.6
87.00473	0.3
87.00878	15.8
87.04516	5.7
89.02449	50.1
90.02791	1.0
93.03470	0.9
95.01374	3.3
97.02965	1.7
99.00893	1.7
99.04546	1.3
100.85573	0.4
101.02453	54.3
102.02795	1.4
103.04020	16.5
107.01391	0.5
108.04575	0.5
108.57872	0.4
109.02961	0.6
112.01712	0.4
113.02458	20.3
115.04028	7.8
119.03516	27.4
120.03886	0.6
123.00916	1.5
124.00844	0.6
124.01678	4.6
125.02460	13.3
126.02819	0.4
127.04037	1.7
131.03514	18.6
132.03799	0.4
133.02931	0.9
133.05086	0.5
135.04558	0.5
137.02478	1.7
143.03516	24.4
144.03885	0.9
145.03000	0.9
145.05086	6.1
145.06131	0.6
146.05455	0.5
147.04509	0.9
149.04558	1.7
149.99608	6.9
151.00410	0.9
161.02481	1.7
161.04546	4.6
163.06136	52.7
164.06465	2.2
167.10783	13.3
168.00648	11.6
168.11214	0.6
169.01123	0.7
179.03477	0.4
179.04222	0.5
179.05623	3.7
189.04141	0.4
205.07175	49.1
206.07512	2.5
247.08192	12.2
248.08630	0.7
270.01746	0.6
271.02460	0.7
293.08810	1.0
299.01874	0.6
327.21780	1.2
349.73312	0.4
401.14410	0.5
401.22968	2.3
443.09537	0.4
461.10959	19.7
461.24380	8.4
462.11246	2.9
462.24796	0.8
482.36380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20622	0.2
55.01866	0.3
57.03454	0.7
58.00603	0.4
59.01377	100.0
60.01711	1.4
61.98829	25.6
69.03448	0.4
71.01387	6.4
72.99310	0.4
73.02946	2.0
75.00871	0.6
78.95934	0.2
83.01393	0.5
85.02961	1.9
87.00869	0.5
87.53313	0.2
89.02444	5.2
93.03447	0.3
95.01399	0.4
97.06607	0.3
99.00883	0.7
100.25287	0.2
101.02446	4.1
108.02197	0.3
109.02866	0.4
113.02464	2.4
119.03509	0.6
121.03017	0.3
125.02421	0.8
125.09826	0.2
131.03522	1.8
131.50438	0.2
137.02426	0.5
143.03551	0.3
145.02946	0.4
149.04593	2.2
151.00362	0.6
152.99557	0.5
159.03014	0.5
161.04573	3.0
179.05589	0.6
191.05536	0.9
207.10236	0.3
208.36133	0.3
209.11780	0.3
252.03485	0.3
269.10263	0.3
271.06012	0.4
285.65317	0.2
321.22150	0.5
339.23019	0.6
373.33667	0.3
401.25272	6.0
402.24600	0.9
445.24164	0.8
461.25354	11.5
462.25647	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01377	100.0
60.01711	0.7
61.98830	27.1
71.01384	10.5
71.59351	0.6
73.02953	3.5
74.31851	0.4
75.00873	1.0
78.06621	0.5
78.95921	1.8
79.48219	0.4
81.03445	0.5
83.01391	1.5
83.05054	0.5
85.02962	3.9
87.00871	0.7
89.02450	10.9
93.03470	5.2
94.03831	0.5
95.01420	0.5
99.00916	1.6
101.02451	7.9
101.03085	0.5
107.01433	0.6
108.02177	0.6
113.02467	5.5
117.03447	0.8
119.03526	5.4
119.05017	2.8
121.02985	2.4
125.02496	1.1
128.18074	0.5
131.03499	1.3
137.02472	5.9
143.03505	1.4
145.02895	2.3
147.04558	0.6
149.04634	2.0
151.00426	2.2
152.99626	1.7
153.01950	0.8
161.04561	3.4
163.04016	1.0
165.01962	0.7
179.05710	2.8
186.26752	0.6
191.05605	0.7
193.76241	0.5
195.06703	1.3
207.10341	0.9
255.11568	0.7
269.10294	1.0
270.01794	0.6
271.02237	0.6
271.03204	0.7
271.06073	4.8
272.06378	0.5
289.07306	0.8
299.02084	1.4
315.07816	0.5
371.32480	0.5
383.22571	0.6
401.14859	1.2
401.25674	9.0
402.24121	0.9
403.09512	1.8
461.07220	1.1
461.18875	1.5
461.24777	15.5
462.25302	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	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03442	10.3
59.01378	34.9
61.98825	4.1
66.00077	1.0
66.05096	0.9
69.47414	8.5
71.01377	18.1
73.02956	3.0
75.00858	2.3
83.01429	1.3
83.05027	1.4
84.74049	1.0
85.02962	7.7
87.00892	1.3
88.98815	1.8
89.02439	12.1
91.01942	1.0
93.03474	5.6
95.01385	1.5
97.02964	1.9
98.20600	2.0
99.00905	1.5
101.02451	9.2
113.02455	8.1
117.03516	1.5
119.03528	3.3
119.05039	1.8
121.02972	2.3
121.06608	10.6
123.08173	3.8
131.08678	2.6
133.02977	1.4
133.06609	2.4
135.04526	3.0
135.08176	3.1
137.02454	10.1
143.03532	1.6
144.05800	9.8
145.02959	8.0
146.03305	3.8
147.03568	1.5
147.08195	1.4
149.09738	25.9
150.10129	1.1
151.07675	9.4
152.26627	1.1
153.09291	1.3
158.07321	1.1
159.03058	1.5
159.08194	11.8
161.00851	1.0
161.02524	1.5
161.04562	11.6
161.05969	1.7
161.09729	3.1
163.04118	1.2
163.07701	6.3
164.04437	1.1
165.05629	1.1
165.09312	2.3
170.05823	1.0
173.09680	2.3
175.11244	2.3
177.09221	100.0
178.09605	5.4
179.00049	1.5
179.05652	2.1
179.10776	7.4
187.07657	1.5
188.08485	6.6
191.10783	3.0
193.12318	1.3
196.85791	1.0
203.10786	22.0
204.11168	1.5
205.08675	4.9
206.09523	2.6
221.11829	75.5
222.12161	4.5
239.12885	37.2
240.13158	3.2
242.45184	0.9
337.82275	1.1
401.18164	63.7
402.18515	8.1
461.15881	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	461.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.5
59.01374	39.9
59.68067	0.4
60.99320	0.5
61.98828	32.3
63.02411	1.8
65.00321	3.7
69.38343	4.1
71.01386	5.3
72.99319	0.5
73.02969	2.0
73.92547	0.5
75.00871	2.3
78.95932	0.7
79.87282	0.5
83.01382	3.4
85.02972	1.9
89.02435	2.6
93.03467	8.1
93.04008	0.6
94.03824	0.5
95.05036	0.6
97.02988	0.8
98.19794	0.9
99.00878	0.5
99.04519	1.0
101.02458	4.3
101.75079	0.5
107.01398	8.3
109.02935	0.7
113.02489	2.3
117.03485	0.9
119.05038	100.0
120.05361	6.5
121.02949	1.3
125.02461	1.5
133.06584	1.3
137.02461	4.4
145.02995	2.3
151.00383	24.4
152.00786	1.6
152.99525	0.9
159.02980	1.1
161.04536	2.7
161.06081	1.9
163.04016	58.7
164.04346	4.3
165.01898	1.5
169.01340	1.3
175.00316	0.6
177.01913	3.5
177.59436	0.5
179.05577	0.7
185.06003	0.8
187.04062	0.6
193.01363	0.8
199.09732	0.8
205.05058	2.6
207.10182	0.8
209.11717	0.7
225.11171	0.9
227.07108	0.9
241.01501	0.5
258.51550	0.4
269.04309	0.4
269.10022	0.6
270.01517	0.7
271.06082	58.1
272.06421	8.0
273.06592	0.7
295.05908	1.1
299.01636	0.6
301.18170	0.6
313.06815	1.6
343.13672	0.7
357.20300	1.0
383.21887	1.1
401.14368	1.0
401.22864	8.1
402.23758	1.0
461.06253	0.8
461.24771	17.6
462.25119	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	461.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.4
57.03432	3.3
59.01099	2.2
59.01378	34.6
69.03449	1.0
70.47386	4.2
70.47762	1.1
71.01383	45.5
72.99306	1.8
73.02952	16.1
79.42979	1.0
83.01401	8.6
85.00494	1.0
85.02958	23.3
86.95395	0.9
87.00862	1.1
89.02452	5.5
95.01402	4.2
97.02939	1.8
99.00867	8.9
101.02460	35.6
110.60780	1.0
113.02479	19.4
121.02976	1.5
125.02500	2.2
129.01981	2.3
131.03531	1.7
134.56265	1.0
143.03477	2.1
149.04610	2.1
150.62088	1.0
159.03023	4.9
161.04582	23.2
168.12189	1.0
269.10291	100.0
270.10577	9.7
288.01532	1.1
293.09073	1.2
336.95627	1.3
401.14523	74.2
402.14795	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	461.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26570	0.5
55.01876	1.2
57.03453	2.8
58.00598	2.9
59.01378	22.8
60.01687	0.6
60.99309	2.9
61.98822	6.2
69.03458	3.6
69.32542	0.8
69.32950	5.4
71.01382	15.6
71.05028	1.2
72.99314	1.8
73.02943	3.4
74.92749	0.5
75.00879	2.6
77.20466	0.5
81.03437	1.1
81.07107	0.9
83.01386	1.8
85.02953	5.1
85.88496	0.5
86.00074	0.8
87.00878	1.6
87.04517	1.6
88.98816	15.9
89.02444	6.3
93.03441	0.9
93.07120	3.5
95.05016	0.8
97.02962	1.2
97.06584	1.4
98.19823	1.1
99.00890	3.2
99.08150	1.3
101.02450	5.0
107.05024	1.8
107.29916	0.5
108.02176	1.6
109.02967	1.5
109.06594	3.8
109.53777	0.5
111.04517	1.2
111.08163	2.9
113.02460	3.6
113.06063	0.7
115.03991	0.9
117.03478	4.6
118.03805	1.2
119.03516	1.2
119.05016	1.5
121.02956	2.0
123.04523	2.1
123.08173	2.2
125.02458	1.3
125.06089	1.6
127.07666	15.4
133.02966	1.1
133.05086	1.1
135.04520	2.3
137.02501	0.7
137.06090	10.7
137.09743	1.3
139.11284	4.3
139.45340	0.5
140.11546	0.6
143.03537	0.8
145.02966	19.7
146.03311	4.2
147.03542	1.6
151.00418	1.0
151.04008	1.2
152.01140	1.9
153.01958	1.6
153.09230	2.4
155.07124	12.1
155.10783	10.8
161.02460	3.0
161.04579	1.3
163.04013	1.3
163.11339	1.2
165.01982	1.2
165.09265	2.7
167.10756	0.6
175.03952	0.6
177.04066	0.7
178.99866	0.7
179.05556	1.0
179.10724	1.3
181.08730	0.8
181.12318	1.1
183.10258	17.9
184.10548	1.1
195.01291	1.2
195.02977	3.5
197.11826	10.8
198.12140	0.7
199.03870	0.6
199.09776	3.5
207.10287	2.2
211.13376	1.0
215.03497	0.7
225.11333	17.3
226.11671	1.5
227.03360	1.0
241.01578	1.2
241.07176	0.9
242.02104	2.3
243.02983	6.7
249.06039	1.1
255.02818	1.1
255.12280	0.9
257.04434	1.7
269.10413	1.1
270.01596	2.1
271.02390	8.6
283.11749	0.8
285.04059	3.6
286.04709	1.8
290.70477	0.6
295.10202	0.8
299.01962	4.6
299.05341	0.9
300.02557	2.5
307.92874	0.6
309.99258	0.6
311.01392	0.5
314.04276	9.0
315.04865	4.9
399.12744	0.7
403.16220	1.3
417.14621	3.1
443.19870	0.7
461.10620	16.7
461.20184	100.0
462.11029	1.8
462.20602	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	461.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66821	0.5
55.01813	0.7
55.28801	0.5
57.03410	1.0
58.00554	0.8
59.01315	18.7
59.01638	1.3
61.17229	0.5
61.98767	50.6
61.99118	3.9
62.98479	1.1
62.99207	0.9
63.99208	0.6
69.45444	5.0
71.01382	9.7
72.99285	0.8
73.02953	2.7
75.00831	1.4
83.01333	1.9
85.02949	3.9
87.00853	0.6
89.02451	3.8
93.03465	3.0
95.01371	1.4
97.02927	0.7
97.06547	0.7
98.20681	1.0
99.00849	1.0
101.02458	6.8
108.02158	4.0
109.02975	5.6
109.06541	2.1
113.02440	4.6
117.03478	21.5
118.03741	0.7
118.59550	0.5
119.03523	1.4
119.04278	1.0
119.05041	16.4
120.05344	0.7
121.02936	1.6
122.03757	1.0
123.04542	71.1
124.04868	2.9
125.02432	2.0
132.02202	0.7
133.02969	15.3
135.04544	4.3
137.02469	6.0
139.11304	0.7
143.03491	0.7
145.02975	100.0
146.03300	5.7
150.03246	1.0
151.00380	2.4
151.04019	1.3
152.01169	5.9
153.02016	5.7
153.05598	71.7
154.05910	2.8
155.10783	3.1
159.03043	0.6
159.04469	0.7
161.02464	44.3
161.04385	2.6
161.06107	1.6
162.02800	2.2
163.04033	14.1
163.11264	1.2
165.05548	1.8
166.99825	0.6
168.00656	2.5
169.01439	1.3
177.01949	0.8
177.04108	0.9
177.05533	0.7
179.03580	2.5
181.12357	0.6
182.92195	0.6
183.10310	1.6
187.04057	1.2
191.03525	0.9
195.06699	1.8
198.06816	1.2
199.09843	1.0
205.05139	1.5
207.10304	6.4
215.03587	0.9
222.62675	0.5
225.11328	4.6
227.03537	1.0
235.06276	0.9
241.01555	1.3
241.07301	12.3
242.02289	2.1
242.08186	1.8
243.03052	1.4
247.06241	0.7
249.05695	0.5
253.09248	1.3
255.02901	3.0
270.01871	2.1
271.02448	5.0
272.03177	0.6
283.02771	0.7
285.88022	0.6
289.07239	0.8
298.01382	1.4
299.01950	6.0
300.02747	4.5
301.03387	0.7
307.08218	74.1
308.08698	6.8
314.04562	1.2
315.05368	3.5
315.11157	1.1
316.08481	0.9
323.07941	0.7
341.06970	1.6
365.20123	2.1
383.20877	0.8
392.74133	0.6
399.13434	1.1
401.14365	1.0
401.22433	0.6
461.15399	31.5
461.21014	15.0
462.15643	5.2
462.21396	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1454
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
50.66821	0.5
55.01813	0.7
55.28801	0.5
57.03410	1.0
58.00554	0.8
59.01315	18.7
59.01638	1.3
61.17229	0.5
61.98767	50.6
61.99118	3.9
62.98479	1.1
62.99207	0.9
63.99208	0.6
69.45444	5.0
71.01382	9.7
72.99285	0.8
73.02953	2.7
75.00831	1.4
83.01333	1.9
85.02949	3.9
87.00853	0.6
89.02451	3.8
93.03465	3.0
95.01371	1.4
97.02927	0.7
97.06547	0.7
98.20681	1.0
99.00849	1.0
101.02458	6.8
108.02158	4.0
109.02975	5.6
109.06541	2.1
113.02440	4.6
117.03478	21.5
118.03741	0.7
118.59550	0.5
119.03523	1.4
119.04278	1.0
119.05041	16.4
120.05344	0.7
121.02936	1.6
122.03757	1.0
123.04542	71.1
124.04868	2.9
125.02432	2.0
132.02202	0.7
133.02969	15.3
135.04544	4.3
137.02469	6.0
139.11304	0.7
143.03491	0.7
145.02975	100.0
146.03300	5.7
150.03246	1.0
151.00380	2.4
151.04019	1.3
152.01169	5.9
153.02016	5.7
153.05598	71.7
154.05910	2.8
155.10783	3.1
159.03043	0.6
159.04469	0.7
161.02464	44.3
161.04385	2.6
161.06107	1.6
162.02800	2.2
163.04033	14.1
163.11264	1.2
165.05548	1.8
166.99825	0.6
168.00656	2.5
169.01439	1.3
177.01949	0.8
177.04108	0.9
177.05533	0.7
179.03580	2.5
181.12357	0.6
182.92195	0.6
183.10310	1.6
187.04057	1.2
191.03525	0.9
195.06699	1.8
198.06816	1.2
199.09843	1.0
205.05139	1.5
207.10304	6.4
215.03587	0.9
222.62675	0.5
225.11328	4.6
227.03537	1.0
235.06276	0.9
241.01555	1.3
241.07301	12.3
242.02289	2.1
242.08186	1.8
243.03052	1.4
247.06241	0.7
249.05695	0.5
253.09248	1.3
255.02901	3.0
270.01871	2.1
271.02448	5.0
272.03177	0.6
283.02771	0.7
285.88022	0.6
289.07239	0.8
298.01382	1.4
299.01950	6.0
300.02747	4.5
301.03387	0.7
307.08218	74.1
308.08698	6.8
314.04562	1.2
315.05368	3.5
315.11157	1.1
316.08481	0.9
323.07941	0.7
341.06970	1.6
365.20123	2.1
383.20877	0.8
392.74133	0.6
399.13434	1.1
401.14365	1.0
401.22433	0.6
461.15399	31.5
461.21014	15.0
462.15643	5.2
462.21396	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1299
Annotation	Sibiricose A3
Peak:m/z	Relative Intensity
59.01376	11.4
61.98827	3.6
70.87700	1.9
71.01385	10.0
72.99331	0.8
73.02950	3.2
75.00866	1.8
78.95906	1.5
83.01373	0.7
85.02954	5.4
87.00883	1.8
88.98791	1.2
89.02450	6.9
93.03462	22.4
94.78625	0.6
95.01379	1.7
96.96024	1.3
96.96976	1.7
97.02966	1.1
99.00900	1.2
101.02441	5.7
106.47691	0.6
107.05065	0.8
108.02181	46.7
109.02994	13.6
113.02442	4.8
116.33066	0.6
116.92802	1.4
119.03517	3.1
119.05052	0.9
121.02958	2.2
123.00880	1.0
123.04536	0.8
125.02457	2.0
131.03481	1.2
135.03076	0.7
135.04541	0.9
136.01685	1.2
137.02452	70.4
138.02782	2.3
139.00481	0.8
143.03517	1.7
151.03986	2.0
152.01161	95.3
153.01863	4.9
161.04573	2.6
162.86888	0.5
163.03966	2.7
167.03514	0.8
177.02002	1.1
179.03511	5.2
179.05611	1.7
184.22545	0.6
206.23407	0.6
221.06714	1.3
253.04527	1.0
299.11288	1.3
305.04453	1.5
315.06915	1.4
323.09863	1.0
344.16992	0.7
461.12961	100.0
462.13220	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.13
Annotation	Saccharumoside C
Peak:m/z	Relative Intensity
56.17789	0.4
57.03434	0.5
58.00587	0.7
59.01379	18.2
61.30532	0.4
61.98827	4.6
63.72256	0.4
65.00339	0.7
69.03453	1.1
69.34835	3.7
71.01387	12.5
72.99300	1.2
73.02939	2.2
75.00877	5.0
81.03477	1.0
83.01402	1.2
85.02947	2.5
87.00899	1.2
89.02449	15.0
91.01901	20.1
92.02256	0.7
93.03484	1.4
95.01408	0.6
97.02956	0.9
99.00913	0.6
101.02457	4.0
107.01365	0.5
107.05040	4.1
108.02160	0.6
109.02962	0.5
111.00860	0.6
113.02459	2.6
115.92089	0.4
119.03499	1.1
121.02972	7.0
123.04543	5.5
125.02454	4.1
129.01993	0.5
131.03511	3.1
135.00897	25.2
135.04559	1.2
136.01244	0.6
137.02454	3.5
143.03481	0.6
149.04587	4.6
151.00418	0.5
151.07614	0.7
152.01091	0.5
153.09236	0.6
161.02426	1.2
161.04570	1.2
165.09230	0.4
167.03508	100.0
168.03848	4.5
176.43259	0.3
177.03987	0.6
177.09207	0.6
179.05609	0.7
191.03529	1.0
191.05649	1.4
197.17482	0.4
209.04477	0.6
221.11803	0.9
233.06642	0.8
269.10114	0.4
281.06635	1.1
293.05524	0.7
293.08777	12.0
294.09171	0.8
299.07904	0.4
313.10501	0.7
341.06631	0.4
357.15637	0.4
399.12921	1.4
401.14502	1.5
404.64783	0.4
461.12918	12.3
461.19946	0.6
462.13043	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	Isoscoparine
Peak:m/z	Relative Intensity
55.01878	0.4
59.01379	8.4
61.98832	4.0
66.96970	0.4
69.03447	3.2
69.42154	3.7
71.01388	4.2
71.67427	0.4
72.99319	0.5
73.02946	1.2
74.38376	0.4
81.03484	0.9
83.01390	1.6
85.02971	1.2
87.00904	1.1
87.04508	0.6
89.02440	3.1
95.01405	1.7
97.02966	4.6
99.00879	0.4
101.02444	3.3
103.03999	0.6
106.94078	0.4
107.01424	1.2
108.02170	0.9
109.02993	1.0
113.02480	1.4
115.04033	0.4
119.03495	0.8
123.00909	7.6
124.01685	21.4
124.18472	0.5
125.02467	57.8
126.02788	2.4
137.02466	2.4
143.03514	0.8
147.04529	5.0
149.02480	0.7
149.99608	37.7
151.00374	2.8
157.43324	0.4
161.04538	0.4
163.06157	2.5
167.03537	1.0
167.10835	1.7
168.00665	64.3
169.01404	4.9
179.03502	0.7
187.05057	0.5
205.07239	2.4
247.08113	0.7
313.05588	1.9
443.09946	2.7
461.10870	100.0
462.11246	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	461.109
Annotation	Isoscoparine
Peak:m/z	Relative Intensity
50.00178	0.4
55.01868	0.4
59.01094	0.7
59.01375	8.2
61.98829	7.9
69.03465	3.4
69.38363	3.3
71.01386	3.3
72.99297	0.5
73.02963	0.8
75.00868	0.4
81.03467	1.2
83.01396	2.2
85.02963	1.7
87.11081	0.4
89.02454	2.1
93.03471	0.7
93.38184	0.3
95.01392	1.5
97.02961	3.2
98.19932	0.7
99.00886	0.6
101.02461	1.5
107.01422	1.8
108.02185	1.3
109.02988	1.0
113.02479	1.1
117.03503	0.5
117.17553	0.3
119.03563	0.6
119.05037	1.9
121.02969	10.3
122.03275	0.4
123.00897	7.6
123.04510	0.4
124.01686	19.9
125.02464	54.6
126.02802	1.7
126.26354	0.3
134.03711	0.6
135.04539	8.2
136.01686	0.5
137.02480	3.4
145.02977	1.1
145.54961	0.4
147.04549	3.5
149.02477	0.4
149.99603	37.0
151.00336	3.1
151.04036	0.5
152.01157	0.9
153.01929	1.3
155.10754	0.9
161.02460	0.7
161.04587	1.2
162.03230	8.7
163.00320	0.8
163.04010	2.8
165.02011	0.5
167.03528	0.8
167.10854	0.7
168.00659	60.2
169.01404	5.2
169.72256	0.4
175.04062	0.5
177.05583	14.1
178.05893	0.5
193.01279	0.4
207.35670	0.4
215.27644	0.4
235.06093	0.4
239.58139	0.4
255.03006	0.5
255.06616	0.5
269.10388	0.4
271.02386	0.9
299.01929	1.0
299.09311	1.0
313.05637	2.8
390.82486	0.4
401.21884	0.6
443.09845	3.1
461.10889	100.0
462.11246	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	459.3115
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
55.01851	0.4
55.25219	0.3
55.77933	0.3
57.03429	0.7
59.01379	20.0
60.99278	0.8
61.98798	1.0
68.85410	0.3
69.43417	0.3
71.50615	0.3
73.02947	3.3
125.06071	0.5
163.11310	0.5
275.53595	0.3
277.10382	0.3
282.73883	0.3
283.24457	0.7
299.27432	1.0
313.25250	0.5
323.23859	0.3
337.29111	0.5
346.85022	0.4
351.26950	1.0
353.28629	2.4
355.29898	0.3
381.27969	9.4
382.28137	1.7
399.29056	65.1
400.29385	10.1
417.30182	0.5
459.31174	100.0
460.31531	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	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.9
69.55853	1.9
69.56268	2.4
71.01378	1.8
72.16259	0.6
81.03443	1.0
85.02951	1.8
93.03475	1.8
95.01384	0.9
108.02184	53.1
109.02979	21.5
113.02493	0.7
117.02655	1.1
117.03478	18.7
118.03854	1.0
119.05009	5.6
121.02961	1.2
123.00881	1.0
123.04498	0.6
133.02979	1.5
145.02968	60.1
146.03300	2.5
152.01166	71.2
153.01959	21.0
154.02278	0.7
161.02489	3.0
163.04022	6.0
165.01950	0.9
183.27013	0.6
213.05611	1.8
214.70398	0.7
307.08191	0.9
315.07217	28.7
316.07538	1.6
318.52679	0.6
345.94977	0.6
417.11951	1.8
461.10825	100.0
462.11224	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	461.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35511	0.9
59.01379	6.8
61.98817	3.4
69.03490	0.8
69.53319	1.8
69.53732	4.3
71.01376	4.0
81.03461	0.9
85.02960	2.1
87.06304	0.7
89.02464	1.5
93.03452	2.3
101.02455	1.3
108.02189	12.4
109.02965	100.0
110.03291	3.6
113.02462	1.8
115.04010	0.9
117.03471	9.4
119.04261	1.2
119.05034	13.8
120.05383	0.9
121.02910	2.0
123.00893	2.1
123.04540	15.6
125.02376	1.1
133.02948	2.6
135.04547	1.9
137.02472	1.5
139.11252	1.0
145.02965	33.5
146.03331	1.9
151.04027	1.9
152.01161	22.8
153.01955	99.3
153.05566	11.2
154.02278	4.5
155.10789	1.3
160.01651	2.3
161.02461	11.7
161.06111	0.9
163.04021	9.9
175.04015	1.5
179.03500	1.4
183.10283	2.7
197.11838	0.9
214.40190	0.9
222.73665	0.8
225.11247	2.1
299.01999	0.8
307.08252	13.7
315.07214	47.4
316.07425	3.7
337.09070	1.0
341.06689	2.0
417.33240	0.8
461.10828	99.1
461.19910	7.5
462.11249	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	459.275
Annotation	12beta,20-Dihydroxy-16beta-Acetoxy-17-scalaren-19,20-olide
Peak:m/z	Relative Intensity
57.03499	1.0
59.01112	1.1
59.01442	14.7
60.99378	1.1
61.98875	1.0
71.16670	0.4
71.16994	0.6
73.03032	2.8
77.26154	0.4
83.05106	1.6
98.53781	0.4
163.52509	0.4
283.20731	0.9
297.22052	0.5
299.23965	1.4
321.22043	0.5
325.21762	0.6
335.23798	0.9
337.21756	0.9
337.25394	4.1
338.25323	0.4
344.61044	0.4
351.23441	0.6
353.24927	2.4
355.26352	0.5
381.24341	9.3
382.24622	1.7
399.25394	56.9
400.25763	8.0
415.32275	0.7
459.27420	100.0
460.27789	16.6
473.16791	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3113
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
50.87767	0.3
51.06108	0.4
51.33392	0.3
57.03441	0.8
57.25979	0.4
59.01382	8.1
59.15641	0.4
61.98833	1.2
73.02954	1.3
75.71924	0.4
98.19881	0.7
125.06139	1.0
151.11330	2.0
201.22711	0.4
283.20709	0.9
299.23788	1.0
305.19196	0.5
321.22119	2.0
337.25598	0.9
381.24371	2.9
382.24875	0.5
399.25293	12.0
399.29062	75.1
400.25378	2.1
400.29733	10.7
417.30255	1.1
441.29962	1.2
459.31873	100.0
460.27179	2.2
460.32343	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	459.275
Annotation	Lys Trp Lys
Peak:m/z	Relative Intensity
52.09286	0.1
57.03432	0.2
59.01374	7.2
60.99290	0.6
61.98828	3.5
65.13011	0.1
69.36996	1.6
71.01369	1.0
71.05027	0.3
72.99303	0.2
73.02943	0.6
83.05028	0.5
85.02937	0.4
89.02455	0.6
95.09484	0.1
99.04519	0.2
101.02437	0.6
105.51744	0.2
109.06619	0.5
113.02431	0.4
116.92866	0.2
119.03503	0.3
121.02959	0.2
123.04491	0.1
125.06096	0.3
140.50896	0.2
161.04523	0.4
167.03470	0.2
179.05615	0.3
185.58876	0.2
191.03380	0.2
209.54396	0.2
247.09778	0.2
272.79935	0.2
277.10806	0.2
327.19629	0.4
341.21298	0.3
345.20587	0.2
348.57117	0.2
353.24796	0.3
354.16016	0.2
367.22571	0.4
371.25909	0.3
379.26215	1.1
381.24463	0.2
395.25858	0.5
397.27484	7.4
398.27737	1.1
399.24066	0.5
411.25201	0.3
413.26962	5.4
414.27255	0.9
415.28671	1.1
441.26440	6.6
442.26743	0.8
457.25772	0.2
459.27484	100.0
460.27853	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.00151	0.1
57.03440	0.6
58.00571	0.1
59.01377	100.0
60.01264	0.2
60.01707	1.2
61.98833	3.8
65.00323	0.3
67.01887	0.3
67.14737	0.1
69.03454	0.3
69.50032	1.0
71.01384	8.6
72.01731	0.2
72.99325	0.5
73.02950	2.6
74.41158	0.1
75.00889	0.5
78.29131	0.1
81.03468	0.2
83.01391	1.2
83.05033	0.1
85.02959	4.7
87.00892	0.5
87.04519	0.9
88.98804	0.3
89.02449	2.3
93.03458	2.0
94.03810	0.2
95.01390	1.0
97.02953	0.3
98.20638	0.3
99.00884	1.1
101.02457	4.1
107.01409	0.3
107.05057	0.2
108.02203	0.2
109.02985	0.4
111.00927	0.1
111.04534	0.3
113.02457	6.9
115.04028	1.1
117.03479	0.7
119.03529	0.6
119.05036	2.1
120.05390	0.6
121.02968	3.8
122.03766	1.6
123.04537	0.4
125.02467	0.5
129.02005	0.4
133.02928	0.2
135.04509	0.2
137.02469	0.6
137.09729	0.8
138.01880	0.2
143.03526	0.5
145.02966	1.9
147.04640	0.3
149.00742	0.4
151.00406	1.3
151.04004	0.2
151.07639	0.2
152.01053	0.2
153.02011	0.2
155.03531	0.3
155.10797	4.1
156.11179	0.2
159.03050	0.3
161.02446	0.4
161.04573	3.4
163.03976	1.1
164.04390	0.2
165.05563	0.3
165.09219	0.3
168.04112	0.1
173.04559	3.8
174.04892	0.6
177.01891	0.2
177.04051	0.4
178.99840	0.4
179.03540	0.2
179.05592	0.2
179.10880	0.2
191.03513	2.1
191.05392	0.2
192.99628	0.4
199.09753	1.2
211.07631	1.2
212.07991	0.4
227.03430	0.3
237.14836	0.2
243.03012	0.2
255.02980	0.8
255.19701	0.4
256.03299	0.2
271.02490	1.3
271.06110	0.7
272.02814	0.5
272.06522	0.5
273.03281	0.1
284.03171	0.4
285.03970	0.3
297.07700	1.3
299.02036	0.2
300.02762	1.5
301.03311	1.6
302.03857	0.6
307.08286	0.2
399.23920	8.4
400.24182	1.0
417.24942	3.5
418.25223	0.4
459.13199	0.3
459.18747	5.9
459.26828	0.9
460.18900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2001
Annotation	brugunin A
Peak:m/z	Relative Intensity
55.01885	2.0
56.54002	2.2
58.99137	2.0
59.01382	18.5
61.98811	8.1
69.39577	18.9
71.01377	11.3
71.51471	1.7
73.02936	6.3
83.01370	3.1
85.02943	6.3
89.02443	4.8
93.03444	6.3
99.00881	2.5
101.02450	14.2
113.02429	5.3
119.05012	2.5
120.16374	1.7
122.03719	9.7
137.02431	4.2
144.21019	2.0
145.02968	6.4
151.00377	1.9
155.10770	5.7
173.04539	16.5
174.04845	3.6
177.01918	13.7
199.09763	6.0
205.04958	2.5
211.20421	2.0
227.03479	7.5
241.10768	2.5
255.03006	11.9
271.02332	4.0
281.06628	2.3
284.03351	10.1
285.04089	3.7
291.18121	10.1
300.02783	4.8
301.03229	6.5
423.22278	73.5
424.22623	9.0
428.10330	2.3
459.09348	6.5
459.19937	100.0
460.20282	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	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
55.59138	0.2
57.03447	0.4
58.00586	0.4
59.01376	100.0
60.01711	1.2
61.98828	4.3
65.00314	2.2
71.01382	9.3
71.05016	0.3
72.99315	0.4
73.02950	2.7
75.00884	0.3
81.00282	0.2
81.03460	0.3
83.01392	2.0
85.02958	3.6
87.00887	0.6
87.04535	0.7
89.02447	4.8
89.52258	0.2
90.02790	0.2
93.03465	0.9
95.01380	0.8
97.02943	0.4
98.19843	0.5
99.00900	0.8
101.02449	7.0
101.06086	1.1
107.01395	2.0
107.05042	7.8
108.05369	0.3
111.00887	0.4
113.02457	3.9
117.03474	2.7
119.03532	2.0
119.05026	2.6
125.02430	1.0
131.01422	0.4
131.03532	0.8
137.02354	0.2
143.03503	0.7
145.02968	13.2
146.03387	0.5
149.04578	1.4
150.99191	0.5
151.00388	8.1
151.04068	1.3
152.00749	0.3
159.02956	0.3
161.04597	3.6
163.04041	1.7
171.04553	0.3
173.04547	0.9
175.00381	1.5
179.05658	1.4
183.04529	0.4
185.06078	0.4
187.04034	0.5
191.05635	0.8
193.01520	0.3
199.03941	0.2
205.01337	0.3
211.04008	0.6
227.03488	12.4
228.03828	1.1
229.05099	1.1
229.15207	0.2
229.17511	0.3
237.14787	0.3
255.02969	14.6
255.19559	0.6
256.03571	2.3
257.04480	0.8
271.06030	0.6
284.03259	11.9
285.04004	17.7
286.04318	1.7
297.20618	0.5
301.44324	0.3
307.08200	6.6
308.08514	0.8
327.17993	0.3
399.23846	4.9
400.24005	0.7
415.13928	1.6
417.24933	5.3
418.25458	0.5
423.22165	0.7
443.22742	0.4
459.09195	13.0
459.21970	1.0
459.27466	0.5
460.09531	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2389
Annotation	Zahavin A
Peak:m/z	Relative Intensity
57.03422	1.6
59.01376	21.3
60.99291	1.4
61.98806	2.7
71.01365	0.8
71.50403	0.5
73.02959	4.2
83.04997	1.0
83.52599	0.6
104.21492	0.7
109.06573	0.9
109.68690	0.5
110.48660	0.5
112.91076	0.6
116.92799	1.0
121.02916	0.8
125.06054	1.0
130.75781	0.6
137.06158	0.5
149.06018	2.7
151.07553	2.0
170.23544	0.6
223.13242	0.8
281.15283	1.6
281.18918	1.0
291.19598	0.9
297.18384	1.6
299.19943	2.6
307.16635	1.1
311.20126	3.9
321.18552	1.1
325.17868	2.0
327.90881	0.7
329.21161	1.1
333.13049	0.6
335.19940	1.7
337.21719	14.6
338.21860	1.9
353.21060	3.4
355.22766	3.8
356.22775	0.7
381.20676	10.8
381.24878	0.7
382.21118	1.3
397.27161	0.8
399.21652	53.3
399.25748	2.2
400.21994	7.3
415.31885	2.3
459.23471	100.0
459.30154	7.0
460.23648	15.0
477.98331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.6
61.98821	0.5
67.23714	0.3
69.64114	1.0
69.64544	1.5
71.01382	5.1
73.02946	0.9
77.67588	0.3
83.01395	0.5
85.02952	1.3
87.00866	0.5
89.02456	4.7
93.03471	0.4
101.02448	3.0
113.02446	1.7
117.03474	24.1
118.03796	0.8
119.03532	1.2
119.05037	20.6
119.67052	0.3
120.05344	0.7
121.02958	1.2
132.02168	0.4
132.05763	0.6
133.02954	3.9
133.06599	1.3
135.04539	1.4
135.06657	0.5
143.33287	0.3
145.02966	100.0
146.03299	5.7
147.04532	0.6
150.96019	0.3
151.06125	4.4
155.08492	0.4
159.04539	0.4
161.02452	13.6
161.06070	4.6
162.02823	0.6
163.04021	33.4
164.04361	1.6
169.58379	0.4
177.05620	1.9
179.03508	0.9
205.05063	5.1
235.06091	1.3
265.07224	3.1
307.08246	1.0
313.11417	0.4
350.82373	0.4
417.17206	0.4
443.59680	0.5
459.15067	76.6
460.15414	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	459.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.4
59.01376	9.9
59.47629	0.3
61.98822	1.6
65.66050	0.4
66.20984	0.4
67.50352	0.4
69.68289	1.9
71.01385	7.4
73.02947	1.7
75.00896	0.5
79.92889	0.4
80.31997	0.3
83.01379	0.5
85.02955	2.4
87.00877	0.5
89.02449	6.0
89.82986	0.4
93.03434	1.1
101.02436	4.9
111.92896	0.4
113.02467	2.8
117.03477	23.8
117.17155	0.4
118.03786	0.6
118.98063	0.6
119.03520	2.5
119.05036	19.4
120.05376	0.9
121.02939	1.0
125.02444	0.5
133.02966	8.9
133.06593	2.0
134.03746	1.0
135.04530	3.3
135.06615	0.8
137.02431	0.9
145.02966	100.0
146.03293	4.8
149.00688	1.0
149.04564	0.4
151.06137	5.0
159.04550	0.4
160.01657	1.2
161.02455	28.6
161.04630	0.8
161.06055	5.4
162.02846	1.2
162.06438	0.4
163.04024	34.3
164.04391	1.7
175.03992	2.0
177.04204	0.5
177.05643	2.8
179.03462	2.1
179.05673	0.4
187.03955	0.5
188.48332	0.4
192.99673	0.6
193.05109	1.0
198.28575	0.4
205.05078	7.0
206.05479	0.6
209.00414	0.4
235.06126	2.0
249.11301	0.6
265.07114	5.2
266.07419	0.5
300.06699	0.4
307.08157	1.0
313.11475	0.8
325.09186	0.8
358.11273	0.4
387.12753	0.8
459.15057	92.2
460.15369	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	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38482	0.4
58.00577	0.7
59.01377	10.5
61.98822	1.4
69.50785	0.5
69.64018	3.2
71.01379	6.6
71.18283	0.5
72.99284	0.7
73.02949	1.0
75.00871	0.5
83.01405	0.5
85.02953	2.9
87.00887	0.8
87.04507	0.6
89.02442	5.5
93.03472	0.8
97.02921	0.6
99.00900	0.7
101.02461	5.0
113.02458	2.2
117.03477	15.7
118.98074	0.7
119.03529	1.5
119.05038	15.6
120.05363	0.9
121.02969	0.7
125.02452	0.7
132.02187	1.3
132.05835	0.5
133.02972	19.1
133.06575	0.8
134.03453	0.7
135.04536	6.5
135.06686	0.8
137.02458	1.0
145.02971	73.1
146.03313	3.6
149.00655	1.2
149.06122	0.5
149.99646	0.6
151.04128	0.6
151.06139	3.9
160.01678	0.7
161.02460	66.6
161.06017	3.2
162.02765	2.9
163.04022	22.7
164.04320	0.7
175.04062	1.1
175.11084	0.5
177.05536	1.7
179.03494	4.5
205.05086	4.0
219.10365	0.6
221.04379	0.7
235.06085	0.9
253.65800	0.5
265.07178	1.9
307.08221	0.7
312.06268	0.6
351.39969	0.6
445.09323	0.5
459.15073	100.0
460.15408	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	459.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03437	0.6
58.47259	0.2
59.01376	7.5
60.99306	2.7
61.98828	2.7
67.39783	0.2
68.99843	0.3
69.59898	1.9
69.60210	0.2
71.01385	4.4
72.99316	0.3
73.02940	2.2
75.00881	0.7
83.01404	0.9
85.02951	2.3
85.74488	0.3
87.00891	0.7
88.98813	19.4
89.02452	2.9
89.99153	0.3
93.03454	1.0
95.01383	0.5
99.00915	0.6
99.58952	0.3
101.02451	3.1
107.05048	8.8
108.05391	0.4
113.02464	2.3
113.99596	0.7
115.00346	0.2
117.03481	26.2
118.03799	1.3
119.03588	0.4
119.05035	8.5
120.05381	0.5
121.02962	0.8
123.04520	0.4
125.02470	0.8
125.06071	0.3
129.01968	0.4
131.03650	0.3
133.02950	0.5
135.04517	1.1
135.11777	0.5
137.02409	0.5
143.03526	0.3
145.02968	100.0
146.03317	4.7
147.04543	0.3
149.00638	0.8
149.02473	0.3
149.99648	0.3
151.04028	2.2
155.10857	1.2
159.04524	0.3
161.02469	1.1
161.04578	0.9
161.06056	0.4
161.09775	0.6
163.04024	6.0
164.04366	0.3
165.12878	0.3
168.00641	0.6
179.10771	1.8
187.03964	0.4
192.34824	0.3
192.99631	0.9
210.06940	0.3
211.07658	3.4
212.08032	0.4
227.03409	0.5
247.06085	0.3
253.09091	1.0
255.03041	0.9
269.04697	0.3
284.03241	0.6
285.04129	0.4
291.19766	0.2
307.08231	13.3
308.08618	1.1
323.07791	0.7
415.13977	24.7
416.14282	3.3
441.11826	1.0
459.13144	6.9
459.18185	0.8
459.26840	0.7
460.13638	1.0
460.21805	0.5
465.68893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.6
59.01094	0.7
59.01377	9.4
60.33357	0.4
61.98820	1.5
65.14668	0.4
67.36626	0.5
69.47304	3.1
69.47698	0.7
71.01385	6.0
72.99303	0.8
73.02943	1.4
75.00860	0.5
79.03686	0.4
83.01385	0.6
85.02959	1.9
87.00862	0.7
89.02454	5.8
93.03458	1.0
95.01362	0.4
98.19981	0.9
98.21906	0.5
101.02446	4.2
113.02469	2.3
117.03480	14.1
118.03805	0.4
118.98080	0.5
119.03544	1.5
119.05035	13.2
120.05333	0.6
121.02978	1.2
125.02477	0.9
132.02168	0.9
133.02974	21.1
133.06604	1.4
134.03745	0.8
135.04553	6.5
135.06668	1.3
137.02475	1.4
145.02971	65.4
146.03308	3.5
147.04541	0.5
151.06131	3.6
160.01686	1.1
161.02461	75.9
161.06035	2.6
162.02795	4.0
163.04024	20.6
164.04271	1.0
168.00693	0.7
175.04005	1.3
177.04114	0.6
177.05568	1.8
179.03517	4.6
205.05055	3.3
221.04533	0.5
235.06126	1.3
265.07184	1.8
307.08527	0.7
433.81604	0.5
459.15073	100.0
460.15427	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	459.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03451	0.7
59.01376	11.6
69.54478	1.3
69.54895	3.7
71.01382	9.2
72.99309	5.1
73.02944	2.5
75.00874	0.8
83.01391	0.6
85.02955	2.4
89.02449	7.1
89.03979	0.6
95.01381	0.7
98.19893	1.0
99.00912	1.1
101.02426	6.0
113.02470	2.4
117.03483	2.9
119.03497	1.8
119.05035	1.1
121.03018	0.7
121.05106	3.2
132.02188	14.9
133.02980	6.8
134.03755	32.2
135.04611	3.8
137.02451	1.3
145.02943	0.8
149.06107	3.8
151.00325	0.7
160.01672	76.4
161.02458	24.1
161.04529	1.0
161.06078	0.7
162.02856	1.3
163.04022	1.2
175.04012	90.4
176.04405	4.4
177.05370	0.6
178.02705	1.4
179.03479	2.0
179.07248	0.6
180.37738	0.6
191.07114	1.6
193.05064	42.2
194.05423	2.4
207.06714	0.8
235.06044	4.9
265.07245	1.0
313.10373	1.1
334.56512	0.6
337.09198	1.4
342.76804	0.6
376.65350	0.6
385.10001	0.7
459.15042	100.0
460.15427	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	459.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89204	0.2
57.03462	0.2
59.01378	3.3
60.99288	0.2
61.98832	4.1
62.84319	0.2
70.89674	0.5
71.01373	2.9
73.02946	0.8
75.00868	0.7
80.95087	0.2
83.01376	0.6
83.05077	0.2
83.53501	0.2
85.02953	1.7
87.00884	1.0
88.98824	1.9
89.02451	0.8
93.03474	0.8
99.00866	0.5
101.02444	1.4
107.05042	9.2
108.72372	0.2
109.02995	0.3
112.87914	0.2
113.02451	1.2
116.11096	0.2
117.03479	26.5
118.03795	1.1
119.05036	7.9
120.05412	0.3
121.02950	0.7
123.04535	0.4
133.03009	0.3
135.03018	1.1
135.04541	0.3
137.02466	0.4
143.03603	0.3
145.02965	100.0
146.03308	4.9
151.00415	0.3
151.04030	2.2
153.01933	0.8
155.10779	0.5
156.64122	0.2
161.02451	0.4
161.04626	0.4
161.06049	0.3
163.04018	5.9
164.04411	0.4
173.04579	0.3
177.01917	0.6
179.10770	1.0
187.04070	0.5
200.30476	0.2
205.05125	0.3
210.06870	0.6
211.07663	3.0
227.03517	0.7
247.06195	0.5
250.79053	0.2
253.08728	0.8
255.02977	1.0
284.03250	0.9
285.03891	0.5
295.07114	0.3
297.12677	0.4
307.08218	15.4
308.08496	1.4
375.86035	0.2
386.16867	0.2
397.14859	0.4
415.13965	24.1
416.14246	3.2
441.11856	0.7
459.13095	6.4
459.18073	0.6
459.27557	0.6
460.13367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01375	3.0
61.98826	2.6
65.58130	0.3
71.01384	2.2
71.55363	0.3
73.02947	39.4
74.03296	0.6
75.00894	0.4
78.44781	0.3
78.95901	1.1
85.02946	1.0
87.04568	0.3
88.98827	0.7
89.02455	1.8
92.96006	0.6
96.96020	0.3
96.96973	1.9
97.02982	0.3
99.00880	5.1
99.92607	0.8
101.02451	0.9
103.04004	0.8
109.02950	0.4
113.02459	0.6
116.92875	11.8
116.93722	0.6
117.01950	100.0
117.92902	0.8
118.02293	2.7
119.03508	0.4
127.63743	0.3
133.05086	0.7
147.03041	0.3
161.02454	2.3
161.04607	0.3
165.04070	0.6
179.03493	0.4
181.07158	0.4
273.03085	0.5
274.03406	0.3
277.10703	0.4
295.10376	0.9
343.12360	0.5
369.13791	0.3
459.11215	0.3
459.14526	0.4
459.27536	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12497	0.3
59.01373	1.6
71.01392	1.9
71.58335	0.6
73.02945	39.6
74.03288	0.3
75.00876	0.4
78.95918	0.3
85.02954	0.6
87.00882	1.5
87.38427	0.4
89.02435	1.6
99.00885	4.6
101.02461	0.9
103.10303	0.3
105.01975	0.6
115.00400	0.8
116.92874	7.2
117.01948	100.0
117.92873	0.6
118.02279	2.2
119.03510	0.4
119.98653	0.3
123.13825	0.3
133.01427	0.8
135.04552	0.4
147.03000	0.6
149.04562	1.3
161.02463	0.4
165.04053	4.3
267.07159	0.7
279.11035	0.6
297.08133	0.7
446.16916	0.4
455.89224	0.4
459.11450	0.8
459.26804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01377	49.0
60.01703	0.5
61.98829	7.2
65.00334	0.2
69.03463	0.3
71.01386	4.5
71.61937	0.4
72.99312	0.3
73.02951	1.0
80.47906	0.2
83.01395	0.7
83.05056	0.3
85.02950	2.1
85.68102	0.2
87.00909	0.3
89.02447	2.3
93.03472	0.6
95.01414	0.4
97.02977	0.3
99.00906	0.6
99.77789	0.2
101.02453	2.7
113.02465	1.7
116.92876	0.4
117.03493	0.9
119.03510	1.0
119.05026	1.1
121.02966	10.0
122.03293	0.3
125.02529	0.4
125.06068	0.3
132.02187	16.4
133.02568	0.2
134.03760	12.2
135.04558	9.0
136.04889	0.4
142.67682	0.2
143.03491	0.5
145.02992	1.4
147.04541	0.9
148.05235	0.5
149.06088	1.9
151.00354	0.7
159.02997	0.4
160.01675	69.6
161.02013	3.3
161.04619	2.5
163.04018	0.9
173.04578	0.7
174.03210	0.7
175.04021	100.0
176.04381	5.6
178.02739	0.3
179.05649	0.5
191.05647	0.3
191.07167	2.3
193.05081	20.5
194.05392	1.0
202.02730	1.5
203.03410	0.2
203.07181	0.3
203.98892	0.2
207.06685	0.6
217.03009	0.5
217.05061	6.8
218.05362	0.5
223.13426	0.3
235.06157	1.9
237.14868	0.2
241.49725	0.3
251.16530	0.5
255.03072	0.4
268.65823	0.2
271.06042	0.6
273.06696	0.2
284.03439	0.4
285.03897	0.6
337.09329	0.4
399.23914	5.2
400.23996	0.7
401.08698	0.2
423.91168	0.3
459.12988	2.6
459.28204	2.1
460.13541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49589	0.2
52.02670	0.2
55.01867	0.4
57.03438	0.3
59.01376	6.0
60.99311	1.3
61.98826	3.4
63.34877	0.3
66.14835	0.2
69.03464	0.3
69.36141	1.0
69.36578	1.2
71.01380	4.9
72.99334	0.2
73.02951	1.8
73.03282	0.3
74.88457	0.2
75.00867	0.4
81.03470	0.3
83.01396	0.8
85.02959	2.4
87.00885	0.7
88.98815	9.6
89.02446	2.9
89.37691	0.2
93.03470	0.8
95.01411	0.5
98.19886	0.5
99.00876	0.7
101.02464	2.7
107.04308	0.4
107.05042	8.9
108.05350	0.3
108.49181	0.2
111.38586	0.2
113.02454	1.7
113.99606	0.7
115.00406	0.4
117.03481	26.4
118.03825	1.1
119.03570	0.4
119.05039	7.6
121.02979	0.7
123.04530	0.4
124.01696	0.3
125.02486	1.0
131.03537	0.5
135.04538	0.4
135.11792	0.3
137.02455	0.8
145.02974	100.0
146.03308	4.4
148.05313	0.4
149.05676	0.3
149.99658	0.4
151.04005	2.2
151.05048	0.3
155.10783	1.0
159.04466	0.3
161.04546	0.8
161.06076	0.6
163.04019	6.8
164.04323	0.4
168.00618	0.3
179.10777	1.1
187.04004	0.6
192.99680	0.7
205.05057	0.6
209.44766	0.4
210.06847	0.3
211.07671	3.1
227.03462	1.5
233.06734	0.4
236.59213	0.3
253.08989	1.3
255.02876	1.4
256.03619	0.4
261.12567	0.3
284.03363	1.0
285.03989	1.4
307.08221	14.5
308.08572	1.1
360.81845	0.3
399.19995	0.3
415.13974	24.3
416.14371	3.6
441.12125	0.9
459.13391	8.6
459.19177	0.5
459.26968	0.7
460.13794	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
55.65576	0.4
57.03420	1.0
59.01377	6.6
60.59585	0.4
61.98829	9.4
65.34653	0.4
69.03481	0.4
71.01387	8.5
71.64764	0.5
72.01709	0.6
72.99309	0.9
73.02953	3.1
75.00878	1.2
78.95907	0.5
81.03454	0.9
83.01409	1.1
84.04556	1.8
85.02959	6.2
85.06609	0.6
87.00880	0.6
88.04048	17.0
89.02454	3.8
93.03474	1.7
95.01397	3.0
97.02953	0.7
99.00896	1.9
101.02454	5.9
102.02821	0.6
108.02185	50.3
109.02975	34.1
110.03335	0.7
112.04066	7.9
113.02450	3.7
116.92875	1.9
117.03460	2.9
118.05157	0.5
118.98116	0.8
119.03527	1.4
119.05034	4.4
120.05363	0.7
121.02970	2.9
123.00905	1.5
123.04557	1.4
125.02468	1.0
130.05118	12.4
130.06105	0.7
131.07161	3.1
132.07515	1.4
133.02968	3.0
133.06628	0.5
135.00908	1.0
135.04576	2.6
136.01703	0.5
137.02460	1.3
145.02969	15.2
151.04071	2.4
152.01170	65.9
153.01959	29.4
154.02266	0.8
154.06210	0.5
159.02983	0.8
160.06181	1.5
160.15396	0.4
161.02452	7.0
161.04585	2.5
161.06070	0.9
163.04037	7.0
164.04379	0.7
165.01944	2.7
175.03999	0.5
177.04147	0.5
177.05634	0.8
179.03531	0.9
181.05193	0.7
191.07152	0.5
192.07489	0.4
195.03020	0.8
198.07811	0.4
205.05139	1.0
207.03082	0.7
225.04051	0.6
236.12241	0.5
252.09554	0.6
296.08618	0.6
297.06192	4.0
297.13541	0.4
298.06766	0.5
315.07196	21.9
316.07532	1.3
398.17419	4.2
428.11951	21.4
429.12427	2.3
458.12985	100.0
459.14493	21.0
459.27521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92546	0.2
57.03455	0.3
59.01376	9.0
61.98828	2.9
63.02388	0.4
65.00324	0.5
69.33838	1.9
69.34256	0.5
73.02946	0.3
83.01376	0.7
85.02956	0.3
88.98816	1.0
89.02441	0.7
91.01897	0.4
93.03471	1.4
95.01421	0.3
101.02444	0.7
107.01394	2.1
108.02177	0.5
109.02975	0.6
113.02416	0.4
117.03461	0.4
119.01394	0.3
123.04605	0.3
125.02466	0.4
131.05035	0.3
132.02182	0.6
135.00893	1.2
137.02414	0.5
143.05029	0.8
143.34540	0.3
144.31123	0.3
145.02962	0.7
151.00351	1.9
153.01971	0.4
157.06602	0.5
159.04489	1.2
161.04565	0.5
163.00386	2.0
166.29871	0.3
167.05052	0.6
169.06609	0.9
171.04524	0.8
173.04594	0.3
177.64999	0.3
178.99870	1.4
182.03667	0.3
183.04509	2.0
185.02513	0.3
185.06075	2.3
187.04036	2.5
189.05571	0.8
195.04584	0.5
196.05273	0.3
197.06001	0.8
199.03920	0.6
201.05519	0.7
211.03966	2.9
212.04573	0.4
213.05495	1.2
214.02718	0.4
227.03488	76.8
228.03859	6.7
229.05046	8.6
230.05383	0.5
239.03516	1.5
240.04193	0.7
241.04950	1.3
243.02974	0.5
255.02963	99.2
256.03510	14.0
257.04498	5.2
258.04761	0.3
267.02960	0.9
269.04202	0.4
283.02371	0.6
284.03247	67.5
285.04004	100.0
286.04349	8.2
291.36795	0.3
399.07187	0.4
399.23947	0.4
459.09293	75.8
460.09589	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	459.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63366	0.4
56.96481	0.4
59.01381	14.1
60.01744	0.4
61.98832	7.9
61.99141	0.5
62.78205	0.4
64.79935	0.4
71.66168	0.5
73.02946	0.5
75.00877	0.9
83.01419	1.2
85.02979	1.4
89.02453	0.9
93.03476	2.4
95.01471	0.4
96.73642	0.4
99.00917	0.6
101.02451	1.3
104.70293	0.4
107.01420	1.7
107.05069	2.1
108.02181	3.8
109.02982	3.2
113.02502	1.0
117.03487	1.2
119.05054	1.4
121.02985	1.7
125.02538	0.4
129.68304	0.4
132.02243	1.2
134.03749	1.1
135.00906	1.1
137.02478	1.2
141.38521	0.4
143.04941	0.6
145.02991	4.8
146.03270	0.5
151.00383	2.5
151.03995	0.7
152.01180	4.3
153.01955	4.8
161.04527	0.9
163.00403	1.1
163.04037	1.2
165.09366	0.4
169.01544	0.5
173.04572	2.3
174.04979	0.4
177.01956	0.7
177.03984	0.9
178.99875	0.7
179.03661	0.4
181.12357	0.8
183.04533	1.2
185.02403	0.5
185.06100	0.6
187.04008	0.6
191.05571	1.0
193.05060	0.4
195.05009	0.6
199.04092	0.5
200.04706	0.4
211.03981	2.5
211.07661	1.0
213.05528	0.5
225.11404	0.4
227.03510	69.9
228.03860	5.7
229.05086	1.8
239.03452	1.1
241.04875	0.5
255.02975	96.7
256.03531	13.2
257.04303	1.5
269.04346	0.6
271.02420	1.1
271.06085	0.5
277.10745	0.5
284.03262	100.0
285.03922	26.6
285.08624	0.6
286.04333	1.7
300.02777	2.3
301.03375	1.5
307.08340	0.5
327.05014	1.0
399.24042	0.7
459.09305	85.0
459.27097	1.7
460.09656	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	457.2593
Annotation	Manoalide 25-acetate
Peak:m/z	Relative Intensity
57.03443	1.0
58.82473	0.3
59.01377	22.7
60.99299	0.9
61.98824	1.6
69.51254	2.5
69.51685	1.0
71.01384	0.4
71.05011	0.4
73.02940	4.2
83.05057	0.6
106.79064	0.4
125.06068	0.7
189.12755	0.6
191.14436	1.2
199.50351	0.4
246.63489	0.4
297.22351	0.8
323.20132	0.6
335.20258	0.7
335.23859	3.6
336.23965	0.5
346.56146	0.4
349.21747	0.5
351.23346	2.4
353.25003	0.6
379.22733	9.3
380.23151	1.5
397.23740	64.0
398.24094	9.1
415.24591	0.5
439.32211	1.4
457.25507	100.0
458.25912	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	457.296
Annotation	CHEBI:68037
Peak:m/z	Relative Intensity
55.42778	0.5
59.01376	3.9
60.64606	0.5
61.98825	2.4
69.09024	0.4
69.38258	4.9
69.67950	0.5
71.05002	0.5
83.25170	0.4
94.28040	0.4
117.34219	0.4
185.98405	0.5
304.63556	0.5
392.19421	0.6
397.27457	76.7
398.27798	12.4
413.34454	0.9
415.28534	2.3
439.32199	0.8
457.29169	100.0
458.29556	17.8
463.09061	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28083	0.3
52.17471	0.3
57.03451	2.2
59.01103	0.5
59.01376	7.0
61.98817	0.5
66.56271	0.4
69.03428	0.4
70.92787	0.6
70.93107	0.5
82.38983	0.3
150.54227	0.3
311.88275	0.4
355.26392	0.6
397.27481	23.5
398.27740	2.7
413.30597	14.1
414.31183	1.9
439.28311	5.9
440.28516	0.9
457.29489	100.0
458.29840	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	457.297
Annotation	CHEBI:68037
Peak:m/z	Relative Intensity
51.90652	0.3
57.03439	0.6
59.01378	21.9
60.99302	1.2
61.98819	1.0
62.30146	0.3
63.08623	0.3
64.49249	0.3
69.43630	0.3
73.02945	3.2
98.20689	0.6
100.26240	0.3
126.42390	0.3
144.50293	0.4
153.10918	0.3
190.14687	0.4
255.18182	0.3
267.21176	0.4
281.22806	0.6
297.25900	1.5
319.24524	0.3
323.23926	0.6
335.23874	0.8
335.27435	0.7
349.25241	1.3
351.26923	2.7
352.27124	0.4
353.28729	0.5
379.26398	10.2
380.26608	1.3
397.27460	71.0
398.27783	10.5
456.35690	1.7
457.29556	100.0
457.35825	28.0
458.29849	17.5
458.35754	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	457.3321
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
57.34921	0.3
59.01366	0.9
61.98829	1.4
67.29237	0.3
68.34370	0.3
71.60651	0.4
114.54079	0.3
135.98557	0.3
187.31322	0.3
190.54889	0.3
191.02086	0.4
216.39363	0.3
230.68944	0.3
275.20035	0.4
393.31805	0.6
396.84088	0.3
397.31183	0.4
413.30023	0.5
457.33289	100.0
458.33621	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	457.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.3
57.03443	4.0
58.00579	1.3
59.01377	42.5
61.98829	24.0
62.68058	1.2
69.03451	1.1
71.01384	56.4
71.04734	1.9
72.97544	1.1
72.99304	5.5
73.02949	18.8
75.00865	3.9
78.95935	1.6
81.03422	1.5
83.01391	9.7
84.04572	2.0
85.02955	25.6
85.06590	7.5
87.00871	6.0
87.04509	1.2
88.04053	11.8
88.98827	8.0
89.02451	21.4
93.03471	3.4
95.01381	4.9
96.96027	3.1
96.96978	2.1
97.02940	2.3
99.00891	9.6
99.92570	1.8
101.02453	48.8
102.99711	1.0
108.02184	17.1
109.02968	35.8
111.00895	2.1
112.04045	3.3
113.02466	24.8
114.02794	1.2
114.93400	1.8
115.03973	1.1
115.92120	1.4
116.92867	10.3
117.03458	1.0
117.05588	3.8
118.98055	1.1
119.03579	6.0
119.04229	1.8
119.05034	30.8
121.02981	2.1
123.00905	1.6
123.04494	2.4
125.02458	4.5
125.68296	1.1
129.01938	1.9
130.05104	8.7
131.03519	2.3
131.07158	44.5
132.07487	1.6
133.02953	3.1
133.06627	5.1
135.03093	1.0
135.04530	1.7
137.02505	4.9
143.03484	3.7
145.02983	5.9
149.04570	1.0
149.06076	2.1
151.04042	2.5
151.99956	1.5
152.01170	25.1
153.01955	32.9
159.02966	3.9
159.04340	1.4
160.01662	1.1
160.06160	5.5
161.02487	2.0
161.04588	22.7
161.06027	3.9
163.04024	25.6
165.02034	1.3
173.04593	2.0
173.06015	1.2
174.01785	1.4
175.03961	1.9
177.04079	1.4
177.05547	1.1
179.05615	2.0
182.94185	1.1
189.12805	1.0
191.05602	1.8
203.03427	1.4
205.03542	1.3
205.05081	12.6
206.05443	1.1
215.07080	2.4
233.08134	4.3
235.06093	1.3
235.11868	21.7
236.06793	1.4
251.09357	3.1
259.06088	3.3
265.12802	3.3
277.05389	1.4
277.10953	1.2
279.10831	1.5
293.08640	1.3
297.06100	4.4
315.07178	12.6
325.11182	2.6
337.07709	3.5
397.17148	100.0
398.17444	8.0
428.11844	8.4
439.12195	1.8
457.09747	6.0
457.17261	12.3
457.25314	1.9
458.12955	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19250	0.2
56.56897	0.2
57.03456	0.2
59.01374	4.2
61.98826	1.6
69.02872	0.2
69.03455	3.0
71.01396	0.7
71.63402	0.3
73.02928	0.3
74.09540	0.2
81.03466	0.9
83.01394	1.0
83.04173	0.2
85.02962	0.8
89.02485	0.3
95.01398	1.4
95.05067	0.2
97.02966	2.5
100.33915	0.3
101.02467	0.5
106.79791	0.3
107.01402	1.4
108.02196	0.5
109.02965	0.6
113.02419	0.3
121.03002	0.6
123.00900	6.0
123.01746	0.5
123.04538	0.5
124.01682	18.5
125.02461	59.5
126.02792	1.8
136.01648	0.4
137.02448	1.9
143.10822	2.2
149.99600	30.6
151.00398	2.9
165.01959	0.4
167.03516	1.0
168.00652	63.1
169.01335	4.5
179.03561	0.4
193.01453	0.3
235.16971	0.6
251.16322	0.3
313.05701	1.1
439.15976	3.3
457.17123	100.0
458.17471	13.1
458.23877	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.4
59.01377	26.6
60.01710	0.5
61.98828	17.1
62.88905	0.3
63.02399	0.4
63.99251	0.3
65.00324	7.6
67.01889	0.4
69.35644	1.2
69.36068	2.6
71.01382	4.0
73.02962	1.7
75.12402	0.3
79.01902	0.3
81.03474	2.5
83.01390	16.3
85.02965	1.9
89.02444	2.4
93.03474	1.5
95.01414	0.7
95.05074	0.5
97.02966	1.7
98.19793	0.7
99.00907	0.4
101.02466	3.3
107.01401	14.2
109.02967	1.0
113.02495	2.1
119.03545	1.0
119.05029	0.8
121.02974	1.0
123.00890	0.6
123.04546	0.8
124.01698	2.3
125.02459	47.9
126.02792	1.3
131.01404	1.0
137.02487	2.1
139.04016	1.3
143.03491	0.6
143.10745	0.7
145.03050	0.5
149.02521	2.1
149.99640	0.4
151.00388	69.9
152.00705	2.2
161.02377	0.4
161.04558	1.7
162.06778	0.3
163.04022	0.8
165.01929	1.7
165.89078	0.3
167.03517	1.5
168.00635	3.1
169.01436	25.9
170.01820	0.8
173.04538	1.3
173.13429	0.7
175.00374	5.4
183.92029	0.3
186.01997	1.6
191.10826	0.7
193.01430	5.2
194.01823	0.3
205.01427	0.8
211.02513	1.4
217.12396	0.6
218.04605	2.7
223.02501	0.4
235.13393	3.3
235.35635	0.4
255.03113	0.4
284.03033	0.5
285.04001	0.8
313.05505	0.4
351.22122	0.4
383.19620	0.5
397.22366	1.8
439.18677	1.5
457.17075	100.0
458.17456	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	457.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.5
57.03446	5.2
58.00577	1.6
59.01378	37.6
61.98828	14.2
69.03441	2.2
69.46222	3.4
69.46639	6.6
71.01385	51.9
72.99313	3.2
73.02946	18.4
75.00875	3.4
78.95892	2.0
83.01396	9.0
84.04517	2.8
85.02957	26.9
85.06608	7.9
85.96423	1.1
87.00886	3.7
88.04052	13.0
88.98820	5.0
89.02454	18.0
93.03460	2.2
95.01403	2.9
96.82606	1.3
96.96001	2.1
96.96982	2.7
97.02979	3.6
99.00884	8.3
101.02454	53.5
102.02788	1.7
107.91114	1.1
108.02195	7.0
109.02964	44.8
111.00892	1.4
112.04083	1.3
113.02452	22.3
114.93391	2.1
115.00395	1.4
116.92874	13.0
117.03516	1.4
117.05618	1.6
118.05125	2.0
119.03519	5.1
119.05033	26.4
123.04536	2.0
125.02473	2.8
129.01938	1.4
130.05104	7.5
131.03511	2.2
131.07155	42.7
133.02995	2.0
133.06642	4.6
135.04497	1.4
137.02452	2.9
143.03542	3.3
145.02962	5.1
149.06146	1.6
151.04005	2.6
152.01144	9.9
153.01952	42.7
159.02982	5.0
160.06215	9.4
161.02502	1.7
161.04590	22.7
161.05942	1.7
163.04022	24.4
163.07704	1.5
164.04291	1.6
173.04631	1.6
175.03957	2.1
177.05502	2.0
179.03398	1.8
179.05676	2.1
187.04012	1.4
191.05597	1.8
205.03433	1.7
205.05060	10.9
206.48401	1.2
215.07170	1.7
221.01015	1.2
233.08157	2.7
235.11850	24.6
236.12303	1.5
251.09084	1.9
259.06247	1.9
265.13022	2.2
268.69702	1.2
277.07651	1.3
277.10745	1.4
291.62262	1.0
295.08054	1.7
296.21918	1.1
297.06088	3.1
305.00549	1.1
315.07156	8.0
325.11298	1.9
337.07813	3.0
397.17145	100.0
398.17496	10.1
405.74741	1.4
428.11975	3.7
439.12894	1.6
457.10004	4.9
457.17239	8.1
457.25531	2.7
458.12976	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58516	0.5
59.01376	8.6
61.98834	3.1
61.99101	0.5
69.03441	3.0
69.13011	0.5
71.01366	1.1
78.75338	0.5
79.01888	0.5
81.03442	0.9
83.01356	1.5
83.22795	0.4
85.02953	0.7
89.02438	1.4
93.03496	0.5
95.01425	1.4
97.02956	3.3
98.20638	1.5
101.02464	0.5
107.01395	1.3
109.02943	1.1
120.31945	0.5
123.00906	6.5
124.01677	17.2
125.02463	58.3
126.02760	1.4
137.02490	1.9
143.10834	2.7
149.99602	33.4
151.00400	2.6
167.03490	0.7
167.93781	0.5
168.00659	61.8
169.01398	5.1
193.01372	1.0
211.02612	0.6
313.05878	0.7
320.75504	0.5
365.23227	0.5
408.53326	0.6
439.16296	2.9
457.17114	100.0
458.17401	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85411	0.3
55.01880	1.4
57.03433	0.6
58.00594	3.1
59.01377	70.5
60.01721	0.6
61.98827	2.7
64.98792	0.4
65.93353	0.3
67.01887	0.6
69.03458	7.4
69.69281	2.3
71.01384	75.6
72.01724	1.6
72.99309	3.6
73.02950	11.1
75.00876	4.0
81.03456	4.4
83.01398	4.5
85.02956	7.9
85.03451	0.5
87.00890	4.2
87.30856	0.3
89.02450	100.0
90.02760	1.8
93.03454	1.1
95.01412	2.6
97.02961	11.8
98.20668	0.8
99.00892	16.0
99.04485	2.1
101.02451	14.8
102.02810	0.4
109.02956	1.8
111.00898	2.2
113.02460	7.9
115.04023	7.4
119.03522	1.9
119.04983	0.9
121.02975	0.8
124.71850	0.3
125.02460	48.8
126.02770	1.9
127.04052	1.9
129.01994	0.8
131.03519	11.6
135.03064	0.5
137.02469	1.1
143.03505	4.0
145.02968	0.5
147.04523	1.4
148.05319	59.3
149.04584	14.5
149.05676	2.6
150.04967	0.7
153.01935	1.3
155.03519	0.4
161.02402	0.7
161.04594	2.4
163.07660	17.7
164.07991	1.4
173.04533	1.5
175.06178	0.6
177.04045	0.8
191.05611	8.5
192.06036	0.5
195.05055	0.7
215.05536	0.9
233.06659	36.9
234.07056	2.0
285.04050	0.5
293.08771	34.4
294.09030	2.4
457.17014	1.2
457.25558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.00581	1.8
59.01379	36.5
61.98820	2.8
69.03468	2.3
69.48047	8.2
71.00986	1.5
71.01385	25.3
72.99305	2.9
73.02933	3.5
75.00859	2.9
83.01381	2.7
85.02956	10.1
87.00864	2.3
89.02452	32.9
93.03455	7.4
95.01397	1.8
99.00867	2.6
101.02451	18.1
105.01970	1.6
109.02966	1.7
111.00881	2.6
112.64268	0.9
113.02478	11.6
114.02767	1.6
115.03996	2.2
117.03464	4.0
119.03552	11.2
119.05037	24.4
120.05410	1.5
121.02975	3.2
123.04498	1.7
125.02451	3.1
128.36523	0.9
131.03545	2.8
131.05074	1.5
132.02147	1.2
132.05779	1.1
133.02954	13.0
133.06593	7.7
134.03758	2.0
134.06931	0.9
135.04530	13.0
137.02463	9.9
143.03505	2.1
145.02971	29.5
146.03317	1.5
147.04524	3.9
149.02438	1.4
149.04678	1.1
149.06082	3.4
160.01659	2.4
161.01105	1.9
161.02470	39.2
161.04593	4.5
161.06075	24.6
162.02853	2.1
162.04886	2.1
162.06442	1.1
163.04027	29.6
163.05374	1.5
164.04402	1.3
173.04601	2.0
173.06078	1.4
175.03947	4.9
177.02061	1.2
177.05574	13.0
178.05855	1.8
179.03485	12.0
179.05655	2.5
187.03970	1.5
191.05551	1.6
191.07178	1.0
193.05110	1.8
203.03487	2.1
203.07176	1.2
205.05043	18.4
206.05406	2.7
215.07150	2.0
217.05139	1.6
218.05724	1.2
221.04601	4.7
233.08197	3.8
235.06165	9.8
247.02490	1.0
247.06120	1.7
251.05602	2.1
262.04691	3.2
265.04605	1.5
265.07156	15.9
266.07349	1.1
277.07150	9.0
281.06561	5.4
289.07150	1.1
295.07327	1.1
295.10388	22.4
311.09869	29.0
312.09976	2.1
324.10187	1.1
325.09326	3.3
337.07803	1.2
341.08966	2.4
367.10025	1.5
397.11374	2.3
457.13461	100.0
458.13586	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	457.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01375	9.0
59.09098	0.4
61.98826	1.6
69.61362	2.2
69.61774	0.9
70.21173	0.5
71.01382	8.3
71.01771	0.5
72.99326	0.8
73.02957	3.5
75.00861	0.5
79.95602	0.4
83.01385	1.2
85.02948	4.4
87.00881	1.6
89.02451	6.6
93.03465	1.3
95.01394	0.5
98.19880	0.5
99.00888	1.1
101.02437	5.8
108.02164	0.5
109.02997	1.0
111.25352	0.4
113.02450	3.9
117.03466	1.9
119.03530	1.4
119.05045	7.2
120.05336	0.5
121.02987	1.9
125.02485	0.5
130.91359	0.5
131.03510	2.1
132.02164	1.2
133.02963	21.9
133.06580	2.2
134.03416	0.8
135.04535	12.6
136.04868	0.5
137.02461	1.0
145.02962	10.2
147.04567	0.6
149.04541	0.8
149.06096	1.1
152.01149	0.7
153.01904	0.5
161.02455	100.0
161.06024	5.6
162.02802	5.4
162.06439	0.5
163.04037	9.1
164.04462	0.5
168.00461	0.6
173.04527	1.5
175.04030	0.8
177.05566	5.0
178.02850	0.7
179.03505	12.9
180.03844	0.5
187.04012	0.7
205.05061	6.4
206.05504	0.6
221.04576	4.7
221.06616	0.6
235.06081	3.8
251.05586	4.8
265.07147	7.0
265.09818	0.5
266.07425	0.6
281.06616	7.9
282.07083	0.6
295.10361	1.1
311.09866	10.0
312.10287	0.7
319.26880	0.5
323.07733	0.8
325.09363	2.1
341.08691	3.9
367.10059	0.7
383.09814	72.0
384.10120	7.1
457.13504	19.6
458.13846	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1714
Annotation	Foliachinenoside B2
Peak:m/z	Relative Intensity
52.29901	0.6
55.01878	1.1
56.99477	0.6
57.03462	1.4
58.00591	2.7
59.01381	53.6
60.01724	0.8
60.99312	1.0
61.98829	9.5
62.32306	0.5
69.03474	0.5
71.01386	30.7
71.58613	0.6
71.59040	0.8
72.99303	4.0
73.02993	1.2
75.00874	1.3
78.95927	0.8
83.01418	2.3
83.05042	0.6
85.02952	7.2
87.00914	1.8
88.98816	4.3
89.02452	34.2
93.03487	2.6
93.07114	0.7
95.01418	2.4
96.96039	1.4
97.02950	1.0
99.00908	1.7
99.04565	1.3
101.02455	22.3
101.03109	1.2
107.05070	1.1
109.02955	2.8
111.04554	2.2
112.38286	0.6
113.02457	13.1
113.99677	0.9
115.00436	0.8
115.92123	0.8
116.92884	1.1
117.03500	0.9
118.05117	1.1
118.98130	0.7
119.03529	14.8
119.04192	0.9
119.05030	13.1
121.02983	0.8
121.06654	1.9
123.04592	1.1
123.08164	4.4
125.02480	2.0
129.07199	0.7
131.03537	2.6
131.07184	1.0
133.02969	3.6
133.06612	1.8
135.03116	0.7
135.04539	1.8
136.70325	0.7
137.02478	2.9
143.03561	1.8
145.02956	4.0
149.04581	1.4
149.06136	0.8
151.04082	1.0
154.07530	0.6
161.02455	5.6
161.04659	2.1
161.06131	4.4
163.04018	9.8
164.04454	0.6
171.11800	4.7
173.04602	1.2
175.04118	0.7
175.77690	0.9
177.01978	1.0
177.05579	1.4
179.03595	2.1
179.05647	2.6
179.07106	0.7
189.12878	8.2
190.13252	0.9
191.05719	1.3
195.05135	0.6
205.05074	6.8
215.10826	1.5
217.05139	0.8
221.04555	0.7
233.11845	2.1
235.06058	0.8
251.09334	0.7
251.13011	1.0
265.07330	1.4
277.10764	6.9
278.11420	0.9
281.06808	0.7
289.07248	0.8
295.12015	1.3
311.09863	7.0
323.27731	0.6
337.07941	2.1
383.10040	2.6
457.17355	100.0
458.17749	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.0
59.01373	21.0
61.98827	2.3
62.81283	0.5
69.42470	2.4
69.42901	3.2
71.01382	14.4
72.99329	0.9
73.02941	7.3
83.01402	1.4
85.02956	2.3
87.00871	1.2
89.02451	33.8
93.03446	1.9
101.02455	11.8
103.04008	0.9
113.02443	6.6
117.03459	6.0
119.03571	7.4
119.05035	28.7
120.05376	0.9
121.02962	2.3
123.04534	0.8
125.02512	0.6
131.03525	3.8
131.05020	0.8
132.05820	1.7
133.06602	8.6
135.04575	1.0
145.02966	38.9
146.03300	1.4
147.04521	0.7
149.06064	0.6
155.79012	0.5
159.04509	0.6
161.02495	3.0
161.06093	24.2
162.06418	1.7
163.04024	34.8
164.04364	1.6
177.05574	10.8
179.03583	0.8
179.05617	0.7
187.03986	1.0
205.05058	25.1
206.05469	1.5
213.35619	0.6
235.06097	5.1
265.07153	14.1
266.07416	0.8
295.10056	1.0
307.78860	0.6
311.09827	58.0
312.10168	4.2
325.09241	1.2
367.10437	4.1
368.88773	0.6
457.13470	100.0
458.13785	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	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01092	1.7
59.01374	26.4
59.89413	0.7
60.50758	0.7
61.98824	1.4
69.32523	2.3
69.32934	7.4
71.01385	20.3
72.01710	1.3
72.99307	1.8
73.02956	7.7
83.01413	1.5
85.02959	5.5
87.00896	2.1
89.01912	1.9
89.02448	31.8
93.03468	2.8
95.01337	1.1
99.00894	1.1
101.02444	15.5
103.04012	1.3
113.02460	7.4
114.02829	0.9
117.03468	6.9
119.03575	9.7
119.05035	35.0
120.05376	1.3
121.03004	2.1
126.07926	0.8
128.46297	0.8
131.03522	8.4
132.05792	2.7
133.02975	8.2
133.06621	10.8
135.04535	5.9
145.02968	46.9
146.03268	1.5
147.04506	0.9
149.04623	1.9
149.06070	1.9
151.03903	0.9
159.04466	1.3
161.02463	31.6
161.04610	2.1
161.06081	27.5
162.02965	1.4
162.06410	1.7
163.04019	41.7
164.04356	2.0
177.05586	11.0
179.03549	5.9
179.05670	0.9
187.04068	1.9
205.05055	26.7
206.05370	1.8
221.04576	1.5
235.06114	11.5
236.06487	1.0
251.05658	1.3
265.04294	1.3
265.07135	25.5
266.07465	2.1
269.26978	0.9
277.07135	1.8
281.06641	3.1
293.08960	1.3
295.10495	1.0
306.27396	0.8
311.09830	76.6
312.10114	3.9
325.09293	3.7
335.58649	1.0
341.08795	2.5
367.10538	4.1
367.14642	1.1
383.09839	22.1
384.09995	3.0
396.78790	0.9
439.12180	1.4
457.13470	100.0
458.13876	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	457.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28032	0.6
55.01875	0.9
57.03433	1.5
58.00602	1.0
59.01377	20.0
60.99315	1.8
61.98831	5.1
64.43576	0.7
68.99809	2.1
69.03440	1.3
71.01388	14.7
71.56413	0.8
72.00913	0.9
72.99305	2.1
73.02940	2.7
75.00878	2.8
78.95905	1.1
83.01408	3.7
83.05032	0.9
85.02965	8.1
85.06580	1.6
87.00889	4.5
88.98813	10.3
89.02454	12.6
93.03463	13.4
95.01385	2.6
96.96970	0.8
97.02911	1.0
99.00895	7.0
101.02452	8.6
102.44361	0.8
105.68085	0.7
108.02179	1.6
109.02934	2.4
111.00864	3.0
113.02467	9.2
113.99599	20.6
115.00414	7.8
116.92843	1.4
118.05146	0.9
119.03565	3.4
119.05042	15.3
120.05343	1.0
121.03004	1.0
123.04554	1.3
123.08208	1.4
125.02489	1.7
127.00365	4.1
129.01949	2.7
131.03542	1.2
131.07158	6.9
133.02980	3.7
133.06577	2.5
135.04541	1.5
137.02461	26.9
138.02849	1.0
139.00357	1.7
145.02940	5.6
149.02454	1.0
149.06161	1.0
151.03938	1.1
152.01224	0.9
156.00633	0.8
157.01454	5.7
161.02486	5.4
161.04564	1.9
161.06065	3.6
163.04033	13.3
169.01433	3.2
171.11757	0.7
173.04564	0.8
174.01714	19.2
175.02400	2.5
175.03842	0.7
177.01967	0.7
177.05589	1.2
179.03474	2.5
179.05673	0.7
189.12898	1.4
191.05586	0.8
191.07161	0.7
193.05045	1.0
205.05096	5.1
215.07094	1.1
235.06058	1.3
265.07214	0.9
277.05630	35.5
277.10696	1.8
278.05942	1.8
311.09775	4.9
319.06543	1.9
337.07761	57.2
338.08136	2.3
377.09982	0.7
383.09680	2.2
397.07788	4.9
397.17096	2.7
439.08578	1.4
457.09811	100.0
457.16891	18.1
458.09982	12.0
458.16840	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	456.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37460	0.1
59.01377	1.6
61.98828	100.0
62.98529	0.1
69.77917	1.0
71.01370	1.0
72.99318	0.2
75.00889	0.2
85.02968	0.4
87.00895	0.2
89.02457	1.0
95.01441	0.2
101.02466	0.7
108.02217	0.2
109.03033	0.2
111.00909	0.3
113.02457	0.3
119.03526	0.5
125.02456	0.2
131.03488	0.2
132.02213	0.2
133.02968	0.3
134.03787	0.3
135.04547	0.9
145.02953	0.2
149.05972	0.2
152.01176	0.3
153.01988	0.2
160.01711	0.6
161.02484	1.4
161.04568	0.2
168.00729	0.2
174.07864	0.2
175.04013	0.8
177.05556	0.4
179.03497	0.9
193.05014	0.2
197.19080	0.1
207.26990	0.2
214.19579	0.2
221.04572	0.4
228.58485	0.2
281.06482	0.2
287.13660	0.2
295.10345	2.3
396.18890	0.2
456.16089	0.2
457.12823	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	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29742	0.2
55.76808	0.1
57.03445	0.2
59.01375	2.7
61.98831	100.0
63.62170	0.2
69.37908	1.9
71.01383	1.3
72.29739	0.2
73.02959	0.2
74.00105	0.2
75.00896	0.5
83.01422	0.2
84.36926	0.1
85.02961	0.4
87.00893	0.4
89.02435	1.2
90.02790	0.2
91.01902	0.4
97.03008	0.2
98.19930	0.4
101.02460	1.2
108.02188	0.3
113.02501	0.6
115.03943	0.2
117.03534	0.4
119.03500	0.6
119.05077	0.5
121.02972	0.2
125.02462	0.4
132.02177	0.4
133.02965	1.4
134.03749	0.7
135.00894	0.2
135.04501	0.8
137.02504	0.4
145.02957	0.9
149.04604	0.2
149.06129	0.2
153.01994	0.4
160.01685	1.7
161.02466	3.9
161.03734	0.3
161.06186	0.3
162.02859	0.3
163.04047	0.6
168.00645	0.2
173.04430	0.2
175.04018	1.5
175.21930	0.2
176.04741	0.3
177.05504	0.2
178.99934	0.2
179.03539	0.7
180.00185	0.3
191.05658	0.2
191.07262	0.3
193.04935	0.9
205.05142	0.2
234.19299	0.2
234.43210	0.2
235.06091	0.6
244.82401	0.2
265.07202	0.3
281.06390	0.3
281.09073	0.4
295.10327	1.5
311.09888	0.7
342.02316	0.2
396.18686	0.3
456.08029	0.2
456.15970	0.6
457.13632	3.8
457.18237	1.3
457.26505	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2802
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
57.03446	3.5
59.01107	0.5
59.01379	8.0
61.98822	0.8
71.05009	0.3
71.58695	0.4
73.41399	0.2
83.05006	0.7
86.15355	0.3
117.70515	0.2
120.58834	0.2
165.12871	0.4
281.19138	0.4
284.64392	0.3
297.22333	0.5
298.57535	0.2
311.47665	0.3
311.51395	0.3
351.26770	0.7
353.24646	0.3
366.16241	0.2
367.30087	0.5
393.28018	0.7
395.25922	20.5
396.26251	3.2
411.28964	7.9
411.34155	0.4
412.29272	1.4
437.26874	5.4
438.27127	0.8
455.27924	100.0
456.28262	18.4
456.34927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42987	0.2
54.98822	0.2
59.01395	0.2
70.77220	0.6
92.36276	0.2
126.99033	0.2
128.62160	0.2
137.07074	0.2
147.73557	0.2
185.72119	0.2
186.05542	0.2
217.44124	0.2
222.45412	0.2
455.35281	100.0
456.35645	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18560	0.2
53.58510	0.2
69.39513	1.6
156.73288	0.2
222.58289	0.2
263.20935	0.2
407.33170	0.4
455.35263	100.0
456.35608	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01372	8.2
61.98827	45.5
63.99253	3.5
66.37405	0.7
69.62109	0.7
70.38587	0.8
71.01388	3.9
72.99288	1.1
73.02953	1.7
73.25451	0.8
74.02473	3.6
75.00882	2.6
81.03454	0.9
83.01379	1.7
85.02949	2.1
87.00896	1.1
88.35679	0.9
89.02449	2.3
93.03474	2.3
95.01379	1.0
97.02958	1.6
100.00446	1.2
101.02456	2.4
105.03511	1.3
108.02177	4.0
109.02963	13.2
113.02454	1.8
117.03476	1.8
119.05060	2.9
120.05354	1.2
121.02969	6.8
123.04546	11.0
124.04050	7.3
125.02458	7.0
131.03487	1.4
131.05066	2.6
132.02225	2.3
133.02985	3.4
133.06589	1.3
135.04546	3.1
137.02428	4.4
137.06093	1.1
139.04062	0.8
142.87422	0.9
143.05054	1.4
144.05298	0.8
145.02943	7.7
146.03368	3.5
147.04550	3.7
149.02461	8.4
149.06091	3.0
151.03986	7.3
152.01160	1.5
153.01968	1.4
155.10779	1.9
159.04532	3.6
160.01685	2.1
161.02438	13.6
161.06126	3.6
162.02837	2.6
162.06451	0.9
163.00380	2.1
163.04001	5.9
164.01215	1.8
164.04469	0.9
165.01880	3.8
168.03026	0.9
173.02454	1.2
174.03300	1.3
175.04010	8.9
176.01189	2.7
176.04462	1.1
177.01907	6.4
177.04121	1.5
177.05579	2.2
178.27496	0.8
185.02451	0.8
187.04018	7.0
188.01180	1.0
189.01933	12.1
189.05592	1.0
190.02702	7.5
191.03513	18.3
193.05025	5.0
195.05171	1.2
197.12059	1.1
201.05606	2.0
202.02713	3.3
203.03496	18.7
204.00648	0.8
204.04216	4.3
205.05048	29.7
206.05350	2.5
206.08147	1.5
215.03491	1.6
216.00655	15.0
217.01291	4.0
217.05013	1.1
218.08208	2.0
219.03023	4.2
229.01416	2.3
230.02229	3.7
231.02991	16.7
231.05156	1.6
232.03543	2.3
232.06059	1.0
233.04555	2.7
235.06013	1.0
245.04578	1.0
246.05368	1.8
257.00861	0.9
267.06567	1.1
281.04507	2.6
293.05188	1.0
293.08319	1.0
294.06238	6.8
304.04575	2.8
309.08060	1.0
310.12143	1.0
311.09216	2.2
313.07159	2.3
319.06195	1.9
337.07196	3.9
344.11465	0.8
353.06665	1.0
355.08206	18.4
356.08353	1.9
363.05042	1.1
381.06140	89.6
382.06378	9.9
397.11520	1.2
412.10196	5.4
438.08353	2.5
455.35312	1.2
456.09442	100.0
456.15964	10.4
456.35233	1.5
457.09586	14.0
457.16943	3.1
471.71597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.7
57.81327	0.5
58.00601	0.9
59.01377	24.9
61.98826	1.2
69.32901	3.2
69.33319	1.6
71.01382	14.1
72.99307	1.9
73.02975	1.0
83.01395	1.0
83.05043	0.6
85.02957	2.7
85.06544	0.5
87.00883	0.9
89.02448	18.1
95.01360	0.8
97.02987	0.6
99.00899	0.6
101.02450	11.5
101.06116	1.1
109.02956	6.7
111.04533	2.0
113.02465	5.8
117.03491	7.8
119.03525	7.9
119.05026	7.0
120.05465	0.7
121.02979	1.8
123.04576	1.5
125.02460	1.6
129.05591	13.3
129.09285	0.8
130.05917	0.5
131.03500	0.6
133.06641	1.9
135.00880	1.2
137.02472	4.2
145.02965	36.3
146.03317	1.4
147.06639	3.9
149.02457	0.8
151.04001	1.1
153.01956	22.2
154.02307	0.9
161.02420	1.2
161.04895	0.8
161.06099	4.8
163.04019	8.1
165.02007	1.3
165.04028	0.9
165.55312	0.6
177.05566	1.2
179.03592	0.8
187.04034	0.8
202.06355	0.6
203.07092	1.8
205.05127	3.7
215.07054	0.8
231.10516	0.5
245.08235	2.1
265.07175	1.2
289.07120	6.7
301.07077	1.8
309.11890	100.0
310.12238	7.6
414.70187	0.6
455.09790	5.4
455.15524	44.2
456.10162	0.9
456.15903	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	455.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59078	0.8
55.01867	2.7
57.03439	3.4
58.00579	1.9
59.01380	61.0
60.01677	0.9
61.98832	25.1
69.03441	1.1
71.01385	36.6
71.65678	0.7
71.66066	0.9
72.99297	3.1
73.02954	10.8
75.00858	1.7
78.95911	2.3
79.95709	0.8
80.91685	7.4
81.03453	1.2
83.01398	8.8
85.02954	18.5
86.00077	1.0
87.00873	3.8
89.02456	17.8
91.01911	2.5
92.02239	0.9
93.03481	2.4
95.01368	2.5
97.02968	1.4
99.00889	5.8
101.02453	42.9
108.02184	3.2
109.02973	6.0
111.00881	3.1
113.02461	14.5
116.92879	2.4
117.03487	3.3
119.03452	1.0
119.05039	4.2
121.02995	1.2
123.04536	1.2
125.02438	4.6
129.01970	1.0
131.03523	18.5
132.02187	1.2
133.02985	1.8
134.03683	1.5
135.00948	1.8
135.04514	1.6
137.02484	3.8
139.03947	0.8
143.03514	1.3
145.02966	17.1
146.03294	1.7
146.66315	0.7
149.04549	3.6
151.04005	1.3
152.01187	2.1
153.01964	9.0
159.02997	2.7
160.01717	5.2
160.95674	7.6
161.02480	9.3
161.04564	8.7
161.05966	1.4
163.00374	2.3
163.04091	5.1
165.04065	3.7
175.04028	6.3
177.05630	0.9
178.99892	2.6
180.00258	1.3
181.00348	0.9
187.07668	1.2
191.05692	0.8
191.07208	0.8
193.05045	2.1
193.35818	0.7
198.20862	0.9
199.64590	0.8
205.05104	1.5
209.11887	2.0
219.17914	0.8
231.10306	1.0
233.06743	1.2
235.06133	1.5
263.15002	53.2
264.15369	2.8
265.07211	1.8
289.07199	2.8
307.11719	1.4
309.11917	3.7
356.94370	0.8
357.08673	0.9
395.19235	100.0
396.19553	12.1
455.07349	2.6
455.14880	15.1
455.35370	1.3
456.09131	0.8
456.15558	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	455.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
59.01379	26.9
59.01682	1.3
61.98833	3.9
63.99250	0.6
65.37540	0.6
69.32912	5.8
71.01386	13.8
71.05013	1.4
72.99310	1.0
73.02931	1.3
75.00880	0.6
83.01389	1.7
85.02948	3.3
87.00864	1.0
89.02450	20.2
93.03457	2.2
101.02447	12.8
109.02930	0.8
113.01720	0.7
113.02464	7.8
117.03479	7.3
119.03573	11.0
119.05035	29.9
120.05376	1.6
121.02966	2.1
123.04547	1.1
125.02420	0.6
131.03526	0.7
132.02165	1.2
132.05806	2.4
133.02963	2.1
133.06601	12.9
134.03749	4.8
135.04498	1.0
137.02469	1.2
143.03502	0.8
145.02968	34.2
146.03313	2.2
147.04515	2.0
147.06657	4.4
149.02390	0.7
149.06058	1.1
159.04536	1.0
160.01689	7.2
161.02490	5.1
161.06087	25.1
162.03119	1.0
162.06445	1.5
163.04022	38.7
164.04306	2.0
175.04019	13.1
176.04619	2.3
177.05582	11.9
179.05721	1.0
187.03970	1.5
191.07112	3.0
193.05054	4.9
202.02812	0.7
203.03613	0.7
205.05061	28.1
206.05354	1.9
207.06766	0.8
216.00612	1.3
235.06099	12.5
236.06439	1.1
265.07156	16.0
266.07471	1.2
279.10803	1.6
295.08267	1.2
309.11896	65.5
310.12186	4.6
325.08990	1.3
381.06094	5.8
435.64319	0.6
455.15494	100.0
456.09277	3.3
456.15860	12.6
456.91266	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72920	0.5
53.07222	0.5
55.01886	0.7
57.03450	1.0
58.00591	1.5
59.01377	30.6
61.98831	3.7
65.03970	0.4
66.31504	0.4
67.01892	0.4
69.03500	0.4
69.38740	3.4
70.53224	0.5
71.01385	17.2
71.05020	0.4
72.99327	1.5
73.02950	2.0
75.00893	0.4
80.91690	0.7
81.03465	0.3
83.01411	1.8
83.05046	1.1
85.02950	4.3
85.06593	0.4
87.00903	1.5
89.02452	20.2
90.01420	0.4
90.02786	0.5
91.01905	0.8
93.03481	1.6
95.01430	1.0
95.05077	0.6
96.96011	0.4
97.02972	1.1
98.20647	0.4
99.00923	0.8
99.04526	0.7
101.02456	15.8
101.06059	0.7
102.02822	0.8
108.02201	0.7
109.02966	8.9
111.04533	2.1
113.02451	8.1
115.04020	0.6
117.03478	8.6
118.03802	0.6
119.03523	8.8
119.05021	8.5
119.05819	0.7
120.05431	0.7
121.02938	2.0
123.04530	2.5
125.02461	2.3
129.05595	13.8
129.09218	5.9
131.03604	0.7
133.02988	1.6
133.06648	2.2
135.00856	2.2
135.04520	0.8
137.02434	4.7
139.04100	0.9
143.03502	1.0
143.10809	6.1
145.02969	39.9
146.03214	1.8
147.06638	3.4
149.02480	1.5
149.04524	0.6
151.04076	1.6
153.01955	25.3
153.09256	0.9
154.02315	1.0
159.04466	0.6
160.01653	0.8
161.02470	6.2
161.04628	1.0
161.06104	5.1
163.04025	9.2
163.06091	0.8
164.04375	0.8
165.01955	1.4
165.04033	2.5
171.10294	1.8
173.04623	0.5
175.02577	0.6
175.04062	1.4
175.07635	0.7
177.04135	0.8
177.05589	1.9
178.05994	0.5
179.03577	1.6
179.05637	0.4
181.07202	3.7
187.04036	0.7
187.07684	1.1
201.05583	0.5
203.07111	2.1
205.05087	5.2
206.05418	0.8
215.07094	1.0
231.10324	0.5
231.12453	0.7
245.08179	1.5
263.15228	0.5
265.07126	0.8
289.07175	8.2
301.07205	2.1
307.11838	1.1
309.11908	100.0
310.12238	6.8
325.11508	2.5
343.12473	2.2
381.06131	0.9
395.14069	0.7
395.19278	0.8
440.40982	0.4
455.09763	5.9
455.15518	46.9
455.21146	4.5
456.09845	1.0
456.15717	6.8
456.21329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.0
61.77490	5.9
61.98827	90.3
69.33942	6.6
71.01379	30.6
73.02943	7.7
75.00880	7.0
80.88068	4.5
85.02953	10.5
87.04540	7.1
87.70036	5.0
89.02457	9.4
99.00908	6.9
101.02448	21.3
113.02442	11.0
113.89712	5.9
117.03452	11.6
119.03477	5.4
121.02953	7.8
135.04504	5.3
137.02440	12.4
137.56665	5.4
145.02950	39.1
160.01596	6.6
161.04605	11.4
175.03978	12.0
177.04037	18.2
213.26469	5.6
220.16530	5.3
223.84987	5.3
228.13185	10.4
228.15622	5.8
365.61835	6.0
453.22778	100.0
454.23041	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	453.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.4
57.03445	6.9
57.41608	0.5
58.00582	2.5
59.01377	52.5
59.43237	0.4
61.98825	1.3
68.99799	0.8
69.03452	1.6
69.46202	3.4
69.46603	1.1
71.01382	100.0
72.01705	1.3
72.99313	3.9
73.02948	33.8
75.00875	1.7
81.03467	0.9
83.01390	18.9
83.01888	1.0
84.02166	0.5
85.02956	47.8
86.00108	1.0
86.03306	0.7
87.00882	5.2
89.02452	20.0
95.01397	7.1
97.02943	3.6
99.00883	13.7
101.02453	97.5
102.02789	1.8
109.02941	0.6
111.00884	2.0
113.02462	42.4
114.02796	1.1
118.90719	0.4
119.03511	7.1
125.02458	4.5
127.11276	0.8
128.96626	0.4
129.01991	2.7
131.03516	1.1
137.02466	0.5
141.01938	0.7
143.03508	7.3
146.86472	0.4
149.04594	0.5
159.03001	9.7
161.04567	51.4
162.04919	1.2
179.05637	3.3
191.02528	0.5
205.03584	1.0
218.01581	0.5
221.06558	0.7
245.06654	1.0
263.07663	1.9
291.18121	65.3
292.18469	5.1
295.53821	0.5
323.09677	0.6
335.17126	0.9
342.06857	0.7
343.07101	1.6
453.23392	86.5
454.17978	0.8
454.23788	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	453.3006
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
59.01355	0.7
61.98805	1.1
78.95865	0.3
88.63579	0.2
97.41050	0.2
99.04483	0.3
107.79565	0.3
114.37380	0.3
128.64455	0.3
132.91093	0.3
170.90759	0.2
179.47502	0.3
284.16122	0.2
304.53201	0.3
382.44824	0.3
407.29333	1.0
453.29767	100.0
454.30066	15.7
477.99323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3371
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
57.46461	0.2
59.01380	1.7
61.98822	0.9
70.45506	0.6
70.45860	0.7
107.40070	0.2
145.81668	0.2
152.26065	0.3
175.17480	0.2
193.73003	0.3
279.23303	3.3
407.33173	1.1
453.20410	3.9
453.33731	100.0
454.19971	0.8
454.34076	19.8
462.90219	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98819	0.4
70.00247	0.8
70.00618	0.3
74.12398	0.1
98.19978	0.2
108.23146	0.2
111.89474	0.2
143.70740	0.2
248.95044	0.2
405.31479	0.3
453.33731	100.0
454.34052	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	453.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
61.98822	4.4
69.03170	1.0
84.02150	1.0
87.04009	1.2
91.67527	0.9
98.19861	1.8
148.29767	1.0
191.14413	1.3
229.70737	1.4
259.41843	1.2
407.33179	1.4
441.33691	14.5
442.34027	2.4
453.28824	16.4
453.34619	100.0
454.35034	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	454.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
59.01380	2.0
61.98829	100.0
68.02879	0.2
69.51266	1.5
71.01394	1.0
72.75271	0.2
75.00881	0.6
85.02946	0.4
87.00903	0.3
89.02458	0.5
93.03473	0.2
98.20704	0.2
101.02464	0.3
108.02181	1.3
109.02982	0.8
113.02477	0.4
117.03480	0.2
119.05051	0.7
121.02979	0.5
123.04525	0.3
125.71103	0.2
127.03995	0.2
129.01900	0.2
131.05045	0.2
133.03000	0.6
135.04552	0.3
137.02475	0.6
137.06143	0.3
137.34163	0.2
138.06439	0.3
145.02985	2.2
145.05043	0.2
147.04533	0.5
151.04013	0.2
152.01193	1.1
153.01981	0.8
155.98648	0.2
157.56720	0.2
160.01677	0.3
161.02467	2.0
161.06091	0.6
163.04071	0.9
163.05293	0.2
175.04033	0.5
177.04095	0.3
177.05603	0.3
179.03468	0.2
195.05135	0.9
205.05074	0.4
223.09418	0.2
230.79869	0.2
235.06038	0.2
258.08487	0.2
265.07141	0.3
289.07224	0.3
309.11972	0.8
372.07913	0.2
394.25098	0.2
443.27817	0.2
454.05704	1.6
454.18799	0.5
455.06219	0.3
455.15338	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	455.0972
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.30374	0.3
59.01381	3.8
61.60625	0.3
61.98827	3.4
71.01383	3.7
71.63257	0.3
71.63686	0.5
72.99315	0.3
73.02959	1.0
75.00881	0.5
78.95908	80.6
83.01420	0.4
85.02949	1.5
87.00869	0.6
88.98790	1.0
89.02438	3.3
93.03448	1.2
95.01413	0.4
96.96971	100.0
99.00887	0.6
99.92564	0.5
101.02464	2.1
101.06086	2.1
108.02169	0.9
109.02959	1.1
110.11475	0.3
113.02482	1.7
115.92143	0.4
116.92866	5.1
117.03457	0.4
118.98087	1.8
119.03551	0.4
119.05057	0.4
123.04537	0.4
125.02435	1.4
125.37645	0.3
131.03485	0.5
131.07127	0.4
137.02467	1.8
138.98036	3.8
144.08250	0.5
145.02934	0.5
149.04520	1.1
151.03960	0.7
152.01096	0.7
153.01891	0.7
161.02438	0.8
161.04515	0.4
169.07710	0.4
170.60248	0.3
173.04500	0.5
179.03525	0.6
180.99040	0.4
184.08765	0.8
191.05646	0.8
198.06699	1.4
199.00131	11.1
205.05077	0.5
211.07674	0.5
212.08301	4.9
213.01706	10.7
213.08589	0.3
214.01967	0.4
215.62714	0.3
241.07327	4.1
242.07692	0.5
243.08723	0.4
245.08231	0.3
255.08859	6.2
256.09140	0.5
271.96277	0.3
293.08688	1.2
357.11954	0.4
395.22830	1.0
406.19394	0.3
417.13977	1.2
437.08447	0.5
455.09662	29.6
455.35138	0.7
456.09857	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	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97231	0.6
55.01881	0.7
57.01465	0.6
57.03436	2.8
59.01377	45.6
60.99307	0.7
61.98825	13.1
64.23192	0.6
66.90044	0.8
68.11722	0.8
69.03441	1.6
69.23971	0.7
69.60275	5.1
71.01380	30.0
71.46092	0.6
72.01704	0.8
72.99300	2.1
73.02953	9.5
74.63675	0.7
75.00882	1.5
76.07877	0.8
81.03452	1.8
83.01398	6.6
85.02955	12.3
87.00879	2.5
89.02449	15.5
93.03465	5.3
95.01385	1.9
95.05038	1.2
95.31334	0.7
96.96058	0.7
96.96973	0.9
97.02968	3.5
98.20699	1.2
99.00904	3.7
99.04519	1.0
101.02454	27.8
102.02803	1.1
107.05054	1.2
108.02180	30.8
109.02962	23.5
111.00886	2.9
111.01604	0.7
111.04539	0.8
111.08165	3.1
113.02461	11.8
114.05607	8.7
119.03558	1.1
119.05027	9.4
121.02970	16.7
123.00880	1.3
123.04554	6.7
125.02460	7.6
127.04057	1.0
129.01942	0.9
131.03508	7.9
133.02979	0.9
133.06630	0.9
135.04504	4.5
137.02449	9.1
139.03978	1.7
143.03500	1.6
145.03017	4.2
146.03705	0.9
149.02452	2.5
149.04541	4.2
149.99574	0.9
151.04018	5.4
151.06126	1.9
152.01160	25.3
153.01935	12.2
156.06679	3.7
159.02989	2.3
159.04439	1.0
159.08163	0.9
161.02457	1.3
161.04559	8.1
161.06093	3.6
162.03206	0.9
163.04021	3.1
164.01183	1.0
165.01933	5.0
165.05566	0.8
167.03445	0.8
168.00630	0.7
173.04549	1.9
173.05962	1.0
173.08168	2.8
175.04063	0.8
175.07608	0.9
177.01958	0.7
179.03503	4.7
180.04211	2.3
181.04935	0.7
185.06201	0.8
187.04054	1.7
188.04727	1.0
189.05557	1.1
191.03551	0.8
191.05618	1.4
195.06596	2.5
199.07701	0.7
201.05403	0.7
201.09262	0.7
203.07147	8.4
205.05081	5.2
211.07751	1.5
225.07733	2.1
239.05562	1.4
245.08125	5.0
247.06030	1.0
250.91005	0.8
261.13391	23.7
262.13574	1.1
275.09280	1.3
289.07153	34.1
290.07474	2.3
295.10388	1.9
315.08841	8.6
316.08878	0.8
331.06757	1.1
341.06021	1.1
341.09018	2.1
393.17624	100.0
394.17975	10.8
417.14108	7.2
435.11017	2.1
453.11118	12.4
453.18948	5.2
454.13544	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	14.9
59.01381	100.0
61.90884	6.3
61.98829	51.9
69.48245	44.5
69.48672	19.4
71.01385	29.8
73.02943	6.9
73.74787	8.7
75.00896	34.2
83.01394	6.8
83.14529	6.3
85.02959	27.1
85.96474	8.6
87.04527	28.9
89.02468	16.6
93.03499	9.3
97.65707	7.1
103.04017	76.8
110.90739	6.5
114.18256	7.2
117.03498	13.6
119.05035	13.9
121.02938	20.8
129.01947	22.2
133.02979	14.5
134.03740	17.6
135.04555	8.3
137.02470	23.5
145.02977	54.8
160.01736	11.9
161.02419	11.3
162.03284	6.5
163.03874	7.5
175.03966	11.6
177.02013	6.9
177.04082	29.7
178.02808	13.7
195.05138	48.1
226.87560	7.2
275.09225	18.1
285.04071	17.0
356.07556	17.1
394.21521	7.0
417.17542	9.1
453.13385	14.7
453.22983	96.9
453.29272	9.6
454.22769	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	453.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80530	1.1
57.03438	1.7
59.01373	23.4
60.01724	1.0
61.98830	22.5
67.01894	2.3
69.86490	5.7
71.00994	1.1
71.01384	17.5
72.99307	1.9
73.02926	3.6
75.00874	5.7
76.94299	1.1
78.91895	4.1
78.95879	1.2
81.03448	0.8
83.01382	2.9
85.02962	8.2
87.00870	2.0
88.98817	1.0
89.02448	10.8
91.01900	49.4
92.02216	1.6
92.86993	0.9
93.03473	5.4
95.01394	1.9
97.02972	1.0
99.00890	2.5
101.02454	12.5
108.02199	2.8
109.02966	6.4
111.00890	8.1
111.08147	1.2
113.02449	7.1
115.04031	4.7
117.03479	21.8
118.03831	1.0
119.03549	3.8
119.05038	68.3
120.05352	3.2
121.02968	3.7
123.04523	2.4
125.02464	5.4
127.04023	11.7
129.01950	3.4
131.05028	1.5
132.02179	6.3
132.05798	2.9
133.02974	3.8
133.06612	13.4
134.03746	6.4
135.00905	19.7
135.04477	1.7
136.01180	1.0
137.02464	6.0
139.03983	1.1
145.02971	93.1
146.03290	4.4
147.04504	2.6
149.02461	2.0
149.06163	1.1
151.04044	1.2
152.01190	1.8
153.01958	14.1
159.02989	2.3
159.04417	1.6
160.01680	30.3
161.02458	6.1
161.04630	2.6
161.06073	32.1
162.03203	1.5
162.06398	1.4
163.04021	82.9
164.04379	3.4
165.01959	1.7
167.07129	1.0
169.01332	1.1
175.04024	34.6
176.04297	1.7
177.04019	4.1
177.05580	18.0
178.99876	64.5
180.00174	3.2
187.04012	2.5
187.07712	1.2
193.05067	6.3
193.77980	0.9
195.05122	9.6
197.00865	6.1
205.05070	40.2
206.05463	2.1
213.09229	2.4
231.10226	1.6
235.06119	14.3
253.91838	0.9
257.08276	5.3
265.07166	28.9
266.07419	2.4
275.09210	1.9
277.78381	0.9
289.07095	3.5
307.10370	44.8
308.10907	4.1
325.09241	4.0
409.15045	15.7
410.15350	2.8
435.05551	2.0
435.11606	2.0
453.06760	40.3
453.13959	100.0
454.07034	7.1
454.14307	14.6
454.19080	1.3
469.52518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80530	1.1
57.03438	1.7
59.01373	23.4
60.01724	1.0
61.98830	22.5
67.01894	2.3
69.86490	5.7
71.00994	1.1
71.01384	17.5
72.99307	1.9
73.02926	3.6
75.00874	5.7
76.94299	1.1
78.91895	4.1
78.95879	1.2
81.03448	0.8
83.01382	2.9
85.02962	8.2
87.00870	2.0
88.98817	1.0
89.02448	10.8
91.01900	49.4
92.02216	1.6
92.86993	0.9
93.03473	5.4
95.01394	1.9
97.02972	1.0
99.00890	2.5
101.02454	12.5
108.02199	2.8
109.02966	6.4
111.00890	8.1
111.08147	1.2
113.02449	7.1
115.04031	4.7
117.03479	21.8
118.03831	1.0
119.03549	3.8
119.05038	68.3
120.05352	3.2
121.02968	3.7
123.04523	2.4
125.02464	5.4
127.04023	11.7
129.01950	3.4
131.05028	1.5
132.02179	6.3
132.05798	2.9
133.02974	3.8
133.06612	13.4
134.03746	6.4
135.00905	19.7
135.04477	1.7
136.01180	1.0
137.02464	6.0
139.03983	1.1
145.02971	93.1
146.03290	4.4
147.04504	2.6
149.02461	2.0
149.06163	1.1
151.04044	1.2
152.01190	1.8
153.01958	14.1
159.02989	2.3
159.04417	1.6
160.01680	30.3
161.02458	6.1
161.04630	2.6
161.06073	32.1
162.03203	1.5
162.06398	1.4
163.04021	82.9
164.04379	3.4
165.01959	1.7
167.07129	1.0
169.01332	1.1
175.04024	34.6
176.04297	1.7
177.04019	4.1
177.05580	18.0
178.99876	64.5
180.00174	3.2
187.04012	2.5
187.07712	1.2
193.05067	6.3
193.77980	0.9
195.05122	9.6
197.00865	6.1
205.05070	40.2
206.05463	2.1
213.09229	2.4
231.10226	1.6
235.06119	14.3
253.91838	0.9
257.08276	5.3
265.07166	28.9
266.07419	2.4
275.09210	1.9
277.78381	0.9
289.07095	3.5
307.10370	44.8
308.10907	4.1
325.09241	4.0
409.15045	15.7
410.15350	2.8
435.05551	2.0
435.11606	2.0
453.06760	40.3
453.13959	100.0
454.07034	7.1
454.14307	14.6
454.19080	1.3
469.52518	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.2
59.01381	6.9
61.98829	4.6
67.01855	0.5
67.57925	0.4
68.99797	0.4
69.03420	1.0
70.10159	2.0
71.01384	2.8
73.02920	0.4
75.00840	1.0
78.95889	0.4
79.77749	0.4
80.02645	0.4
81.03465	2.2
83.01392	6.0
83.05015	0.5
85.02940	2.0
87.00845	0.8
89.02448	1.9
93.02951	0.5
93.03464	5.9
95.01367	1.0
95.05053	2.9
97.02957	6.3
98.20677	0.4
99.00870	0.6
101.02444	2.4
107.04994	1.4
108.02201	2.5
109.02964	27.2
110.03209	0.9
111.00882	0.7
111.04496	0.9
111.08144	1.0
113.02420	1.8
117.03431	1.3
117.10549	0.4
119.03561	0.9
119.05043	23.1
120.05334	0.9
121.02971	6.1
121.90163	0.5
122.03704	1.8
123.00854	0.5
123.04535	20.9
124.01620	0.7
124.04890	1.0
125.02464	13.8
129.01903	0.4
131.03519	0.4
133.02876	0.7
133.06628	3.1
135.04535	3.6
137.02452	11.3
138.02927	0.4
139.04019	4.4
143.05016	1.4
145.02968	6.4
146.03784	3.1
147.04488	1.0
149.01440	0.6
149.02449	5.7
149.06111	0.8
150.03085	1.4
151.04025	13.0
152.01091	1.5
153.01862	1.0
154.02553	0.5
157.06577	0.9
159.04533	3.5
159.08189	3.0
160.05190	1.3
161.02466	3.3
161.04683	0.6
161.06087	11.9
162.03259	2.3
162.06418	0.4
163.04024	5.8
164.01172	3.6
164.04742	0.6
165.01949	4.6
165.05557	1.7
167.03473	1.5
172.05264	0.5
173.04570	1.0
173.05959	0.8
173.08199	0.7
174.03200	0.7
175.03981	3.2
175.07616	1.9
177.01845	0.9
177.04242	0.4
177.05576	2.1
179.03479	5.3
185.06052	1.2
186.06772	0.6
187.04001	6.0
187.07629	0.6
188.04793	4.0
189.01910	1.4
189.05565	1.9
190.02693	1.3
191.03442	2.0
191.05428	0.7
195.05026	1.4
199.07619	1.3
201.05490	0.8
201.09082	0.7
202.06384	2.2
203.07140	24.6
204.07465	1.9
205.05054	16.4
206.05411	1.2
211.07570	1.5
212.04706	0.5
213.05577	1.0
215.10721	0.5
217.01375	1.2
217.04950	0.5
217.08669	0.9
221.08215	2.8
227.07022	2.4
229.05080	1.4
229.08595	2.0
229.53271	0.5
230.05783	0.8
231.02962	2.4
245.08167	17.5
246.08453	1.1
247.06097	4.3
247.09804	0.8
253.08603	0.7
261.13364	0.9
268.96832	0.4
271.06012	1.4
271.09711	2.0
289.07162	100.0
290.07498	8.6
301.07184	1.9
315.08716	27.0
316.09055	2.9
341.06653	6.5
342.06940	0.6
349.84845	0.5
365.14050	1.2
390.26926	0.5
393.17618	1.5
409.12878	1.0
435.10831	4.6
436.11438	0.7
453.11893	27.6
453.19299	1.4
454.12054	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	453.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56519	0.9
57.03426	4.2
59.01376	35.3
61.98829	98.5
62.98532	1.4
63.24137	0.8
63.99218	1.3
69.36996	10.7
71.01385	24.5
71.46945	1.0
72.99280	2.8
73.02944	5.5
74.76769	1.0
75.00887	10.7
81.03465	1.2
83.01386	3.8
83.57831	0.9
85.02965	11.5
87.00861	3.0
88.98771	1.6
89.02454	23.1
91.01440	1.2
91.01913	11.7
93.03468	36.1
95.01371	1.8
97.02923	1.2
97.06593	1.0
98.19859	2.0
99.00878	2.7
101.02450	15.8
108.02160	2.5
109.02943	3.8
109.06569	1.7
111.00893	2.1
113.02471	11.3
117.03478	15.6
119.03550	8.8
119.05038	31.2
121.02954	2.5
123.04524	2.5
123.08130	1.0
125.02425	3.1
127.04039	16.0
127.07646	8.6
129.01979	4.9
132.02217	1.0
133.03001	5.4
133.06596	4.2
134.03726	1.1
135.00894	5.2
135.04520	2.9
137.02463	54.7
138.02769	2.4
141.09189	1.9
143.03610	1.4
145.02968	60.9
146.03300	2.8
149.02417	1.0
149.04550	1.2
149.05984	1.6
151.03970	1.6
151.07730	2.3
153.01936	2.8
155.10796	1.2
159.02974	2.5
161.02467	19.2
161.04559	2.8
161.06036	6.5
162.03159	1.1
163.04030	22.6
163.06039	1.1
165.05528	1.1
171.06641	3.2
173.04575	1.2
173.06023	1.4
175.04050	1.6
175.07585	1.3
177.04004	3.5
177.05547	8.0
178.99873	14.2
179.03429	2.8
181.07140	2.9
187.07576	4.2
195.05112	28.0
195.06700	1.3
199.09489	1.1
203.10754	1.2
205.05087	6.9
211.07668	1.3
213.09235	1.9
215.06955	1.6
231.06648	2.5
231.10194	1.7
235.06076	1.5
237.07526	1.7
257.07916	1.1
265.07086	3.5
275.09311	2.2
281.06485	1.5
289.07056	3.8
307.10355	100.0
308.10623	7.1
315.10678	2.0
340.23013	1.0
343.12265	4.4
385.21039	1.2
409.14877	3.6
417.14279	1.5
435.11624	1.6
453.06998	9.9
453.13800	72.8
454.08093	1.8
454.13898	8.4
460.75455	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97842	0.5
57.03452	2.3
59.01375	6.3
61.98825	5.3
65.03957	0.9
68.99818	0.6
69.03441	1.0
69.23760	0.4
69.25414	0.9
69.25829	3.8
71.01382	2.8
71.05491	0.5
72.99313	0.6
73.02940	0.7
75.00854	0.8
81.03455	2.0
83.01385	6.2
83.05009	1.0
85.02973	0.8
86.94709	0.4
87.00878	0.5
88.98777	0.8
89.02475	2.3
90.48727	0.5
91.01863	0.5
93.03468	5.4
95.01378	0.9
95.05050	2.6
95.05530	0.5
97.02955	7.4
99.00880	0.7
101.02465	1.6
107.05040	1.1
108.02168	1.5
109.02960	25.9
110.03269	0.8
111.08156	1.4
113.02477	1.0
117.03432	1.2
119.05037	22.9
120.05363	0.4
121.02968	4.9
121.06641	0.6
122.03758	0.8
123.00947	0.6
123.04536	18.2
124.04826	0.9
125.02454	11.7
125.45309	0.4
129.01942	0.7
131.03554	0.6
133.02954	0.9
133.06595	3.2
135.04520	3.5
135.75941	0.4
137.01469	0.7
137.02461	10.9
138.03217	0.5
139.04036	4.3
143.05052	1.3
145.02974	4.9
146.03738	2.0
147.04474	1.3
149.02440	7.2
150.03249	1.2
151.04005	10.5
152.04355	0.6
153.01971	0.8
157.06540	0.6
158.03726	0.6
159.04529	3.0
159.08141	1.8
160.05278	1.3
161.02440	3.4
161.06088	10.8
162.01961	0.5
162.03210	2.6
162.06386	0.8
163.04028	6.9
164.01157	2.4
165.01935	5.2
165.05617	1.1
167.03491	2.1
173.04610	0.5
173.06070	1.0
173.08194	1.9
173.09515	0.5
174.03154	0.5
175.04015	2.8
175.07619	1.1
177.01884	0.8
177.05562	1.8
179.03513	4.9
180.04175	0.6
185.06082	1.4
186.06773	0.7
187.04030	5.4
188.04765	3.1
189.01970	1.4
189.05537	1.9
190.02686	1.6
191.03461	1.5
191.05370	0.5
195.05093	1.0
199.07628	1.0
201.05452	0.9
202.06400	2.3
203.03584	1.0
203.07146	23.2
204.07471	0.7
205.05055	15.3
206.05435	1.1
211.07654	1.5
212.04668	0.5
213.05554	0.5
217.01421	0.8
219.02988	0.5
221.08200	3.1
227.07114	2.7
228.07881	0.6
229.04962	0.9
229.08665	1.8
231.02846	2.2
245.08177	15.6
246.08434	1.3
247.05959	2.9
247.09726	0.7
271.06119	1.3
271.09692	2.2
285.81763	0.5
289.07159	100.0
290.07477	9.0
297.07809	0.7
301.07126	1.6
315.08737	24.9
316.09137	2.4
341.06622	7.2
342.07004	0.5
349.10953	0.6
365.14063	1.2
393.17673	1.3
409.12656	1.0
435.10849	5.2
436.11404	1.0
453.11868	24.6
453.19543	4.9
454.12546	3.1
454.18176	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
58.30190	0.1
59.01362	0.2
61.98825	0.8
62.96398	0.2
70.80396	0.2
70.80761	0.2
73.33516	0.1
75.79340	0.1
78.95907	20.4
96.24909	0.1
96.96984	0.4
101.14455	0.1
104.97529	0.1
120.09727	0.1
122.00160	0.7
122.66508	0.1
122.98537	0.2
134.98553	0.2
140.01202	5.7
152.99594	1.8
166.02744	0.2
171.00690	0.5
173.68631	0.1
196.03816	9.8
197.04147	0.3
214.04880	2.3
237.22145	0.2
255.23282	100.0
256.23618	9.3
318.82944	0.1
330.93243	0.1
435.28745	0.1
452.27777	31.2
453.28461	5.0
464.84134	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	453.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.7
59.73412	0.6
61.98517	1.3
61.98825	14.1
71.01373	7.2
71.58854	0.8
72.99297	1.2
73.02943	2.8
74.02489	0.7
75.00861	1.6
78.95919	4.2
79.86742	0.7
83.01397	1.1
85.02946	7.3
87.00868	2.2
87.04543	0.9
88.98804	2.1
89.02459	3.6
92.80593	0.6
93.03451	4.0
95.01377	0.9
95.07283	0.7
96.96010	6.5
96.96962	7.2
97.02976	1.0
97.06573	0.7
98.02442	0.7
98.95596	4.1
98.96458	1.0
99.00886	1.0
99.92587	32.0
100.92643	1.8
100.93370	3.5
101.02464	3.3
108.02158	3.7
109.02933	4.3
111.00895	1.0
113.02467	2.6
115.92082	50.2
116.92091	3.2
116.92870	9.1
117.03548	0.9
119.03503	1.4
119.05015	1.0
121.02944	0.8
123.04533	2.0
125.02444	3.1
126.98640	0.7
131.03525	0.8
132.92229	0.7
133.02983	2.3
134.03725	5.5
135.04547	10.3
135.27591	0.7
137.02440	7.9
138.05629	1.2
142.98184	0.7
145.03003	0.9
146.27357	0.6
149.02446	1.6
151.00320	0.7
151.04031	2.3
152.01169	2.5
152.95387	0.8
153.01959	2.2
161.02455	2.4
161.04567	1.6
163.03998	1.0
165.01955	1.7
173.04601	1.9
173.05984	1.2
175.03983	0.7
176.03955	0.7
178.02751	0.7
179.03491	8.0
179.05083	0.8
179.05687	0.9
180.12906	0.7
191.05595	9.0
192.05957	2.1
193.06137	3.3
195.05022	0.7
203.07037	0.7
205.04907	1.1
210.97049	1.5
211.07724	1.6
215.95265	3.5
216.95979	5.0
217.96753	13.0
218.97517	48.0
219.94730	1.4
219.97644	4.6
221.96225	1.6
243.94577	1.1
244.95494	4.0
245.08250	1.0
245.95694	0.7
256.97495	2.0
261.95670	2.0
262.96484	100.0
263.96677	10.7
289.07205	5.8
289.12997	0.7
290.07397	0.9
291.07919	0.9
294.95624	1.3
307.08151	2.1
355.09488	1.7
373.00177	13.1
374.00418	2.2
391.01257	48.6
392.01453	7.1
417.14078	8.2
435.00125	2.6
453.01462	0.7
453.10522	1.5
453.15363	1.3
453.20319	1.6
454.13513	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	452.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50453	0.2
59.01370	2.4
60.01714	0.3
61.01805	0.3
61.98830	100.0
69.45367	1.9
71.01402	0.2
73.02948	0.3
75.00870	0.4
98.01173	0.3
98.19911	0.6
125.02475	0.4
129.79478	0.3
134.03722	0.2
135.22551	0.3
137.02489	0.3
161.02426	0.3
163.03891	0.2
169.27315	0.3
195.05138	0.5
195.60887	0.3
227.03676	0.4
248.86557	0.3
255.03151	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27123	0.2
55.01886	0.2
55.20967	0.2
57.03442	0.4
59.01377	5.4
60.01718	0.5
61.01796	0.4
61.98830	100.0
62.98533	0.2
63.99278	0.6
65.28805	0.2
65.65681	0.2
69.70111	0.4
69.70518	1.3
71.01389	3.1
72.01747	0.5
72.99323	0.3
73.02956	0.8
75.00878	0.3
78.95906	0.9
81.03475	0.2
83.01411	0.6
85.02955	1.1
85.75543	0.2
87.00881	0.4
88.98816	0.2
89.02452	2.2
90.02814	0.5
93.03487	0.4
97.03026	0.2
99.00867	0.4
101.02453	1.7
109.02989	0.2
111.64859	0.2
113.02467	1.0
115.92050	0.2
119.03532	0.8
119.05021	0.3
121.02922	0.2
125.02477	1.2
126.02778	0.2
131.03485	0.2
137.02409	0.9
147.81906	0.2
151.00400	1.1
151.04050	0.2
152.00783	0.6
161.02455	0.5
161.04591	0.6
162.04881	0.4
163.03999	0.4
165.02020	0.6
167.03392	0.2
177.04094	0.3
179.03529	0.5
179.05707	0.6
180.04301	0.4
181.49330	0.2
189.05621	0.5
191.05602	0.3
195.05125	0.7
195.06721	0.5
225.07715	0.5
261.13443	0.6
289.07242	0.7
289.20169	0.2
290.20682	0.8
315.08701	0.3
328.10526	0.4
341.10077	0.2
365.70999	0.2
392.22736	0.8
393.17609	0.5
452.09015	2.1
452.25803	4.0
453.08527	0.8
453.19574	0.7
453.26071	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2853
Annotation	dihydrocelastrol
Peak:m/z	Relative Intensity
51.50402	0.3
52.33193	0.3
59.01344	0.5
61.35372	0.3
61.98820	1.9
78.95908	0.6
128.97882	0.3
136.05318	0.5
149.06030	0.4
163.07602	0.7
179.03506	0.5
181.05013	0.6
189.07985	0.3
189.09238	3.3
201.09242	3.3
301.21631	2.2
302.22116	0.4
307.17035	0.7
321.18454	1.8
322.19247	2.8
323.19656	0.5
335.20169	10.6
336.20712	2.0
349.21744	0.4
361.21649	0.4
363.23077	1.0
377.24857	4.3
378.25189	1.0
391.26364	1.7
392.27148	7.0
393.27374	1.0
405.28000	0.9
406.24393	0.4
407.29590	2.2
409.27380	0.5
434.43283	0.4
451.28354	100.0
452.28693	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46162	0.4
57.03468	0.5
59.01377	4.6
61.98830	100.0
64.51213	0.5
69.33673	5.1
71.01395	3.5
72.99344	0.6
73.02958	0.6
75.00876	0.8
75.93527	0.4
83.01448	0.5
85.02964	2.4
86.97602	0.4
89.02466	1.6
91.33658	0.4
93.03478	3.0
94.03768	0.8
98.19921	1.0
101.02476	1.9
113.02491	1.8
117.03459	0.7
119.05119	0.5
121.02968	0.8
123.26786	0.5
124.01778	0.6
134.03763	0.8
137.02460	5.7
138.02814	2.4
145.02974	4.7
160.01663	1.1
161.04590	0.6
163.04053	1.0
165.12842	3.6
175.03984	0.9
177.04066	1.3
179.05707	0.5
183.13921	9.8
184.14186	0.6
207.13983	0.6
227.12881	24.2
228.13257	1.4
251.12976	0.9
284.03226	0.7
285.04010	1.5
285.12512	1.1
321.19205	0.6
389.18161	4.0
390.18420	1.0
452.19989	12.7
453.22272	3.2
453.30325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14041	0.4
55.01880	1.4
55.02854	0.4
55.98633	0.4
57.03447	2.4
58.00598	0.7
59.01378	100.0
60.01717	1.1
61.98832	25.4
65.00319	0.6
68.43718	0.4
71.01385	24.3
71.62045	0.7
72.01733	0.5
72.99319	1.2
73.02950	8.6
75.00878	3.2
81.03515	0.4
83.01384	5.0
84.02204	0.4
85.02953	14.2
85.03452	0.7
86.03316	0.8
87.00890	2.3
89.02455	5.9
93.03483	1.2
95.01412	1.8
97.03003	0.6
99.00891	4.4
101.02452	21.0
102.02855	0.7
109.02966	1.4
109.83530	0.4
110.56145	0.4
111.00900	1.2
113.02464	11.1
114.02915	0.5
116.92876	1.2
119.03534	2.1
119.05090	0.7
123.04556	0.6
125.02476	1.7
129.01970	1.4
133.60336	0.6
135.04530	2.6
136.04869	0.9
137.02489	1.4
137.05154	0.5
137.09752	1.1
139.10345	0.7
139.11322	7.1
143.03510	1.3
143.52457	0.4
145.02977	1.0
149.99611	0.6
151.00389	3.2
152.00761	1.9
153.00890	0.7
155.10815	4.3
156.11101	2.1
157.11311	1.1
159.03014	2.5
161.02554	0.6
161.04567	10.7
165.02052	0.4
168.00665	0.7
173.04599	0.6
177.01942	0.5
177.04247	0.6
179.05650	0.6
183.10254	3.2
185.11906	0.5
189.34811	0.4
191.03943	0.4
191.05682	1.6
192.06096	0.7
193.06108	0.8
195.05005	0.5
199.09778	0.9
200.10197	0.5
201.11363	7.2
202.11610	0.5
205.05135	0.9
211.07680	0.5
223.08315	1.0
229.18091	2.6
231.03122	0.8
249.06204	1.2
254.92387	0.4
271.10828	3.7
275.15152	0.9
287.05554	1.6
288.06079	1.3
289.06238	2.5
289.16553	2.9
341.06702	1.8
391.23370	67.5
392.23767	8.5
433.16730	0.8
451.08264	2.6
451.18433	14.0
452.18900	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	50.1
61.98830	100.0
67.01890	5.8
69.30605	55.8
71.01376	16.9
74.67110	4.5
75.00867	10.5
78.18723	4.1
81.32753	4.9
83.01401	4.6
85.02957	12.4
89.02456	5.6
93.03452	38.1
94.03799	9.2
95.45291	4.4
97.02935	10.1
101.02461	10.4
109.02973	9.4
111.04560	4.9
113.02518	5.8
117.03492	7.5
119.05048	18.9
123.04550	9.8
125.02460	29.6
129.01999	6.1
132.05762	4.9
134.03786	6.6
135.04572	6.1
137.02457	27.6
140.93538	5.1
145.02971	24.7
149.99541	11.2
159.04584	8.7
161.02490	5.3
163.04027	17.2
168.00661	13.4
173.04590	28.0
174.04927	5.6
175.04979	6.0
191.05597	17.0
210.06712	5.3
211.07649	13.5
212.08046	5.3
227.03459	12.7
229.04921	5.8
255.02884	22.8
256.03455	8.0
283.02380	5.9
284.03235	25.2
285.03958	25.3
286.04294	9.5
288.06400	12.7
288.56659	10.9
289.06931	7.1
301.03485	5.4
385.65543	5.2
451.08615	24.5
451.15198	10.1
451.20908	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90406	0.7
55.01872	1.6
57.03445	5.3
58.00591	0.9
59.01378	29.0
60.01693	0.7
61.98831	18.8
65.70013	0.7
67.01905	1.0
68.99883	0.7
69.03473	2.2
71.01385	31.6
71.05026	0.9
71.64830	1.0
72.01704	0.8
72.99325	2.8
73.02953	8.8
74.03767	0.8
75.00886	4.6
78.95944	0.9
79.95757	2.4
80.96502	1.6
81.03472	3.5
83.01386	7.2
85.02956	17.4
87.00901	3.7
88.98814	2.4
89.02457	15.4
93.03490	3.0
95.01398	3.1
95.05045	3.4
96.96020	7.6
97.02951	7.8
99.00923	4.3
101.02459	22.7
107.01399	0.8
108.02222	1.1
109.02963	22.1
109.03679	1.5
109.06606	1.0
111.00890	3.9
111.04553	1.1
113.02449	12.3
118.71610	0.8
119.03523	4.8
119.04947	1.2
121.02247	0.8
121.02949	4.3
122.03738	1.0
123.04543	15.7
125.02460	19.3
126.02876	1.2
127.03008	0.9
127.04090	1.2
127.07646	1.4
129.01973	2.1
131.03554	1.3
133.02957	1.9
135.02934	0.8
135.04562	2.9
137.02466	19.8
138.03159	1.1
139.04027	3.7
143.03511	2.2
145.02971	1.6
146.03728	1.1
147.04581	0.9
149.02451	6.4
149.04568	1.1
150.03162	1.6
151.00410	3.0
151.04025	10.0
153.02029	1.6
159.03015	2.9
159.04514	2.5
160.04012	2.3
160.05252	1.7
161.02493	6.0
161.04582	15.6
161.06104	5.0
162.03206	2.2
163.00389	1.0
163.04027	2.4
164.01152	3.8
165.01947	5.1
166.02708	1.3
167.03549	2.0
173.04633	1.2
173.06030	1.2
175.03995	2.6
177.04108	1.7
177.05618	0.9
178.99895	1.8
179.03508	8.6
179.05655	3.1
180.04048	1.5
181.05003	0.8
185.06058	1.0
187.04013	4.6
187.33548	0.8
188.04819	3.4
191.05623	23.7
192.05981	1.2
195.05110	2.2
199.07713	1.1
201.05553	1.8
202.06322	2.2
203.03453	0.9
203.07166	12.4
204.07440	1.6
205.05080	8.2
206.05605	1.0
212.04739	0.8
215.06874	0.9
217.08664	1.1
221.08153	3.8
227.07077	2.0
241.00198	1.2
245.04404	0.9
245.08195	18.2
246.08453	1.2
247.06067	1.8
259.06073	1.9
259.08221	37.3
260.06396	3.5
260.08786	1.5
260.97272	0.8
261.06555	4.1
271.06116	1.8
283.04990	1.0
287.05634	2.9
288.06195	1.9
289.07172	100.0
290.07529	9.7
293.08804	1.5
309.11584	1.0
313.07162	1.4
331.08218	1.7
353.08908	4.1
391.12430	30.5
391.20056	1.2
392.12851	1.9
405.21402	5.7
423.11856	2.1
451.12363	13.9
451.16791	1.6
451.22180	2.3
451.31650	1.2
452.12680	2.2
452.18356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96788	0.5
57.03435	1.7
59.01381	13.4
61.01811	0.6
61.98828	23.9
67.01881	1.0
69.03461	4.1
71.01384	2.5
71.05024	1.3
71.62183	0.9
73.02946	0.6
75.00889	0.9
78.95906	31.3
81.03460	0.7
83.01422	0.9
83.05025	1.1
85.02963	2.0
85.06570	0.6
87.00881	1.3
89.02452	1.6
93.03455	3.8
94.03822	1.6
95.05023	0.9
96.95998	0.8
96.96955	2.8
97.06560	0.7
101.02453	1.9
109.02936	0.8
111.04490	0.8
111.08149	0.8
113.02443	1.1
117.03479	2.0
119.05051	0.8
121.02976	3.7
125.02482	2.4
125.09761	0.7
125.22510	0.6
130.08725	0.6
134.03726	0.6
135.04587	1.3
136.07614	0.5
137.02483	2.1
145.02998	6.9
145.14905	0.8
147.04576	1.3
149.06035	0.6
150.98015	0.8
151.00391	1.1
152.99603	55.3
153.09201	0.8
155.10794	1.1
157.12334	0.7
160.01619	1.2
161.02348	1.1
161.04466	0.7
161.06067	0.7
161.13358	1.3
163.04044	0.9
165.01993	1.0
167.10809	5.2
168.00703	0.9
171.00626	2.8
173.04575	4.4
174.04932	2.3
175.05070	1.8
177.12900	0.9
179.10779	2.5
179.14421	5.9
191.05643	7.7
192.06000	5.1
193.06079	4.9
195.13914	17.8
196.14317	1.0
205.12344	13.1
206.12781	1.0
223.13390	100.0
224.13741	7.4
227.03221	4.7
245.04321	2.0
259.08783	0.8
271.06247	0.6
273.14578	0.6
289.07047	0.7
302.95905	0.6
359.12738	1.9
360.08481	0.6
451.17337	94.3
452.17664	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	451.1973
Annotation	Absinthifolide
Peak:m/z	Relative Intensity
55.01885	0.7
55.09118	0.2
57.03433	0.9
58.00593	0.5
59.01379	12.2
60.35653	0.3
61.98829	3.4
67.01888	0.3
68.99815	0.8
69.03468	0.3
69.30672	0.6
69.31090	2.2
71.01384	8.7
72.99310	1.0
73.02947	2.3
75.00912	0.3
79.67870	0.2
81.03483	0.3
83.01393	1.6
85.02953	4.5
87.00876	0.7
89.02458	5.1
90.96687	0.2
93.03467	26.6
94.03805	1.0
95.01397	2.6
96.99324	1.1
97.02961	0.4
99.00880	0.7
101.02456	5.8
107.05051	0.6
108.02180	1.6
109.02971	0.3
113.02470	3.4
117.03478	0.9
119.03487	1.4
119.05034	1.3
121.02959	2.1
123.04524	0.4
125.02453	0.7
129.01927	0.5
131.05029	0.3
135.04552	1.2
136.01685	4.2
137.02461	62.2
138.02779	2.4
145.02969	2.6
147.04544	0.7
149.02385	0.3
149.99506	0.2
151.00363	0.8
151.04001	0.7
155.10860	0.5
159.03090	0.3
161.02444	0.2
161.04568	0.3
163.04041	1.2
173.04607	1.6
174.04900	0.9
175.05191	0.4
177.04068	0.5
177.05577	0.3
179.03514	4.4
191.03531	0.4
191.05605	0.8
192.05983	0.6
193.06017	0.4
209.04582	0.7
211.07658	0.7
221.04562	1.1
229.07135	0.3
239.05608	1.8
255.03004	0.8
281.06589	0.7
284.03192	0.8
285.03912	1.1
285.12259	0.3
286.04422	0.3
288.56726	0.3
289.07257	0.4
300.02869	0.3
301.03687	0.4
385.69571	0.3
451.19714	100.0
452.20041	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	451.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87749	0.7
55.01881	2.0
57.03448	2.7
59.01376	27.4
61.98826	11.4
69.03457	1.6
69.78007	1.4
69.78420	3.8
71.01383	33.5
71.95096	0.8
72.99294	1.8
73.02947	14.9
74.24116	0.7
75.00887	2.0
80.96552	1.1
81.03471	2.4
82.30135	0.7
83.01392	7.7
85.02960	18.9
87.00898	2.0
88.98795	0.9
89.02449	9.3
93.03470	2.2
95.01412	2.3
95.05054	2.0
96.96014	7.9
97.02970	7.5
98.20609	1.8
99.00880	6.0
101.02450	28.7
108.02199	0.9
109.02966	18.9
110.54667	0.8
111.00907	3.1
111.04499	0.9
113.02479	15.9
115.92131	1.3
116.92872	1.7
119.03521	1.5
121.02976	3.5
123.04549	11.7
125.02464	17.9
129.01973	1.4
131.03462	1.0
133.02969	1.1
135.04567	2.6
137.02463	14.1
138.82819	1.0
139.04030	2.3
143.03532	2.1
146.03748	1.1
149.02475	6.2
150.03195	1.3
151.04071	7.4
153.02057	1.2
157.23085	0.8
159.03027	4.2
159.04495	2.1
160.04059	5.1
161.02446	3.9
161.04613	19.8
161.06107	4.0
162.03253	1.9
163.04054	1.3
163.99915	0.9
164.01186	3.3
165.01974	4.5
167.03525	1.6
175.04005	2.8
175.07701	1.7
177.09027	0.9
179.03493	5.3
180.03992	1.2
181.04942	1.2
181.78275	0.9
185.06065	1.0
187.04056	3.1
188.04808	2.7
191.05630	29.5
192.06012	1.0
201.05608	1.1
202.06378	2.3
203.07129	12.7
205.05093	7.2
221.08176	3.2
227.07066	1.5
229.61366	0.9
245.08183	15.5
246.08554	1.5
259.06192	2.1
259.08206	55.4
260.08633	4.7
261.06619	3.2
265.89111	1.0
271.06030	2.0
287.05753	1.2
288.06155	1.3
289.07169	100.0
290.07458	9.5
353.08777	5.9
355.08618	1.3
391.12424	48.2
392.12762	6.7
451.12207	11.1
451.17853	2.1
452.12271	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1247
Annotation	Catechin 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.15110	0.3
54.67704	0.3
55.01871	0.3
57.03439	2.7
57.96260	0.3
59.01375	5.1
59.79614	0.3
61.98843	2.8
68.99795	0.4
69.03444	0.5
70.02351	0.4
70.02664	1.6
71.01376	3.1
71.05019	0.3
72.99326	0.4
73.02952	0.9
75.00862	1.5
76.98566	0.3
77.22909	0.3
81.03446	2.2
83.01380	3.4
83.05014	0.5
84.94989	0.3
85.02941	1.9
87.00880	1.0
88.98802	0.3
89.02457	2.2
93.03477	1.7
95.01366	0.9
95.05041	2.7
96.96009	1.4
97.02956	6.1
99.00896	0.7
99.04453	0.4
101.02440	1.2
105.03487	0.4
106.11733	0.3
108.02189	0.6
109.02962	20.9
110.03296	0.4
113.02460	1.4
116.92843	0.5
117.03432	0.3
119.03499	1.1
119.05038	0.5
121.02966	3.2
122.03719	0.9
123.04537	12.2
124.04866	0.7
125.02457	16.8
126.02812	0.7
127.07634	0.4
129.01950	0.5
131.07167	0.3
133.02963	0.4
135.04533	2.4
137.02457	14.3
138.03030	0.7
139.04019	3.8
141.01967	0.4
145.02957	1.1
146.03723	1.0
147.04509	0.7
149.02449	4.4
150.03209	0.9
151.00357	0.4
151.04018	9.9
152.04338	0.4
157.06693	0.4
159.03207	0.5
159.04503	2.3
160.05269	1.2
161.02478	1.9
161.04709	0.6
161.06091	4.8
162.03259	1.8
163.04025	1.7
164.01175	3.4
165.01941	5.2
166.02432	0.6
167.03477	2.1
173.04655	0.6
173.06015	0.5
174.03189	0.5
175.04004	2.8
175.07616	1.7
177.04042	1.7
177.05527	0.7
179.03493	6.8
179.05724	0.5
180.04050	0.6
184.05235	0.4
185.06140	1.0
187.02492	0.5
187.04021	5.0
188.04781	4.3
191.03830	0.4
191.05624	1.0
195.05063	0.5
199.07649	0.8
201.05576	0.7
201.11159	0.4
202.06366	2.3
203.07132	14.5
204.07442	1.1
205.05057	8.9
205.06819	0.3
206.05391	0.7
212.04776	0.7
217.08786	0.6
221.08168	3.4
227.07112	3.0
230.05772	0.7
245.08170	19.1
246.08487	1.4
247.06126	1.2
249.06049	0.5
255.12274	0.8
255.82423	0.3
259.05954	0.7
260.06555	0.4
261.06732	0.4
271.06006	1.2
287.05463	0.4
289.07156	100.0
290.07483	8.6
313.07025	0.7
331.08206	0.5
353.08646	0.4
367.60641	0.3
405.21277	1.0
423.12225	0.4
433.16235	0.3
444.43304	0.3
444.76593	0.4
451.12390	10.2
451.18246	6.2
452.12640	1.3
452.18304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56149	0.2
59.01375	2.2
61.98829	8.1
65.00311	0.3
65.58848	0.2
65.77187	0.2
66.27814	0.2
69.39378	2.1
71.01373	1.2
72.30169	0.2
72.99338	0.2
73.02943	0.2
73.11655	0.2
75.00875	0.3
78.00599	0.2
81.03481	0.5
83.01363	0.4
85.02920	0.4
87.00872	0.3
89.02434	0.7
89.03970	0.5
91.01881	0.4
93.03468	1.3
95.01405	0.2
95.05040	1.3
101.02448	0.8
103.05555	0.4
105.03464	0.3
108.02174	0.9
108.04962	0.2
109.02961	23.0
110.03298	0.7
113.02445	0.4
117.03474	1.3
119.03556	0.3
119.05040	1.6
121.02959	0.8
122.03741	0.3
123.00872	0.4
123.04531	12.1
124.04853	0.6
125.02444	0.7
131.05063	0.5
133.02985	3.3
134.03593	0.2
135.00885	0.7
135.04512	0.3
137.02451	0.7
145.02977	2.7
146.03427	0.2
147.03387	0.3
147.04535	4.1
148.04961	0.3
149.02469	0.6
149.99551	0.3
150.03235	1.3
151.00516	0.2
151.04018	6.4
159.04524	1.4
161.02448	6.4
161.04512	0.3
162.03191	0.7
163.04007	0.9
168.00638	0.4
173.02451	0.3
173.04550	0.8
173.33932	0.3
175.04037	0.4
176.01144	0.7
177.01942	22.6
178.02266	0.9
179.82257	0.2
185.51756	0.2
187.04013	1.3
187.13310	0.3
189.01935	52.1
190.02678	11.1
191.03508	10.8
191.05338	0.5
192.03888	0.7
193.06021	0.3
203.03502	6.1
204.03853	0.3
205.05133	0.3
211.07703	0.4
213.01971	0.3
214.02823	0.3
216.00645	8.3
217.01410	35.2
218.01994	3.9
219.02980	12.8
220.03394	0.9
226.11743	0.3
227.03470	0.5
229.04953	0.3
231.02971	11.3
232.03487	1.6
233.04527	1.0
245.08157	0.2
255.02997	1.1
281.04581	0.7
284.03217	0.5
285.03952	0.8
285.12476	0.3
286.04272	0.4
288.06387	0.6
288.56561	0.9
289.07129	2.2
297.07593	0.5
299.05780	0.4
323.05496	1.4
341.06650	100.0
342.06979	9.7
391.23328	1.0
451.10324	28.1
451.21136	0.8
452.10663	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	451.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15110	0.3
54.67704	0.3
55.01871	0.3
57.03439	2.7
57.96260	0.3
59.01375	5.1
59.79614	0.3
61.98843	2.8
68.99795	0.4
69.03444	0.5
70.02351	0.4
70.02664	1.6
71.01376	3.1
71.05019	0.3
72.99326	0.4
73.02952	0.9
75.00862	1.5
76.98566	0.3
77.22909	0.3
81.03446	2.2
83.01380	3.4
83.05014	0.5
84.94989	0.3
85.02941	1.9
87.00880	1.0
88.98802	0.3
89.02457	2.2
93.03477	1.7
95.01366	0.9
95.05041	2.7
96.96009	1.4
97.02956	6.1
99.00896	0.7
99.04453	0.4
101.02440	1.2
105.03487	0.4
106.11733	0.3
108.02189	0.6
109.02962	20.9
110.03296	0.4
113.02460	1.4
116.92843	0.5
117.03432	0.3
119.03499	1.1
119.05038	0.5
121.02966	3.2
122.03719	0.9
123.04537	12.2
124.04866	0.7
125.02457	16.8
126.02812	0.7
127.07634	0.4
129.01950	0.5
131.07167	0.3
133.02963	0.4
135.04533	2.4
137.02457	14.3
138.03030	0.7
139.04019	3.8
141.01967	0.4
145.02957	1.1
146.03723	1.0
147.04509	0.7
149.02449	4.4
150.03209	0.9
151.00357	0.4
151.04018	9.9
152.04338	0.4
157.06693	0.4
159.03207	0.5
159.04503	2.3
160.05269	1.2
161.02478	1.9
161.04709	0.6
161.06091	4.8
162.03259	1.8
163.04025	1.7
164.01175	3.4
165.01941	5.2
166.02432	0.6
167.03477	2.1
173.04655	0.6
173.06015	0.5
174.03189	0.5
175.04004	2.8
175.07616	1.7
177.04042	1.7
177.05527	0.7
179.03493	6.8
179.05724	0.5
180.04050	0.6
184.05235	0.4
185.06140	1.0
187.02492	0.5
187.04021	5.0
188.04781	4.3
191.03830	0.4
191.05624	1.0
195.05063	0.5
199.07649	0.8
201.05576	0.7
201.11159	0.4
202.06366	2.3
203.07132	14.5
204.07442	1.1
205.05057	8.9
205.06819	0.3
206.05391	0.7
212.04776	0.7
217.08786	0.6
221.08168	3.4
227.07112	3.0
230.05772	0.7
245.08170	19.1
246.08487	1.4
247.06126	1.2
249.06049	0.5
255.12274	0.8
255.82423	0.3
259.05954	0.7
260.06555	0.4
261.06732	0.4
271.06006	1.2
287.05463	0.4
289.07156	100.0
290.07483	8.6
313.07025	0.7
331.08206	0.5
353.08646	0.4
367.60641	0.3
405.21277	1.0
423.12225	0.4
433.16235	0.3
444.43304	0.3
444.76593	0.4
451.12390	10.2
451.18246	6.2
452.12640	1.3
452.18304	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.8
59.01653	0.7
61.98832	3.7
64.91445	0.4
68.54933	0.4
69.03444	1.4
69.42431	2.5
69.42848	1.6
70.44296	0.4
71.01366	1.4
72.26507	0.4
81.03461	0.5
83.01393	1.1
85.02943	1.5
93.03461	27.8
94.03806	1.3
95.01392	1.0
97.02952	1.4
101.02468	0.6
107.01377	0.7
108.02190	0.8
109.02932	2.1
113.02427	1.1
121.02959	0.6
123.00891	5.7
123.04494	0.6
124.01673	14.7
125.02454	28.8
126.02804	1.5
135.04454	0.6
136.01601	1.0
137.02454	53.6
138.02774	2.1
145.02950	1.1
149.02414	1.0
149.99597	26.0
151.00383	2.8
151.04048	1.1
161.02496	0.7
163.04031	0.7
165.01991	0.5
167.03477	1.0
168.00645	63.5
169.01411	8.1
173.04613	0.6
177.01991	0.8
183.04495	0.6
189.87018	0.4
191.03635	0.5
227.03447	4.8
261.80133	0.4
271.05984	0.6
285.04044	0.5
313.02130	0.9
313.05618	14.9
314.05954	1.4
323.06912	0.5
331.06683	30.4
332.07059	2.0
353.88281	0.4
433.08804	0.5
451.08780	100.0
452.09125	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	451.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98822	4.6
63.86311	0.5
69.03442	1.8
69.50890	1.9
69.51325	1.9
71.01381	1.2
71.01830	0.4
74.66449	0.5
80.52040	0.4
81.03461	0.9
83.01382	1.2
83.05029	1.1
85.02945	0.7
92.27663	0.5
93.03452	6.8
95.01384	1.4
97.02973	2.3
101.02441	0.8
107.01405	0.9
108.02197	0.5
109.02970	1.1
121.02914	0.6
123.00878	6.6
123.04478	0.5
124.01674	17.6
125.02457	36.1
126.02795	0.9
135.04478	0.5
136.01666	0.8
137.01451	1.0
137.02463	15.0
138.02858	0.5
149.99596	30.1
151.00252	2.0
151.04019	0.5
167.03500	0.7
168.00652	57.7
169.01405	4.7
177.01968	0.6
179.03580	0.7
188.04527	0.5
189.01970	1.1
191.03531	0.5
193.01340	0.6
217.01433	0.5
225.16106	1.1
239.05687	0.6
281.06644	4.8
313.05548	2.8
321.29962	0.5
330.25049	0.6
331.06674	6.9
332.07132	0.7
341.06573	1.1
354.59470	0.5
423.84259	0.5
433.07681	1.4
451.08780	100.0
451.32782	7.6
452.09125	11.9
452.33353	0.9
476.91806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.62432	0.3
69.11019	0.3
69.47796	2.0
71.01382	1.4
75.00860	0.4
78.95908	2.5
83.01385	0.4
83.05054	0.3
85.02959	4.9
87.00891	1.3
88.98820	0.5
93.03464	2.4
96.96021	11.2
96.96955	2.6
99.00875	0.3
108.02185	0.4
108.90224	0.7
109.02953	1.0
111.04530	0.9
113.02425	0.5
125.02432	0.4
125.56509	0.3
127.04031	1.2
133.02946	0.5
135.04530	3.0
137.02463	0.8
151.00418	0.4
155.03493	0.5
158.76958	0.3
161.02477	1.7
171.03003	0.4
173.04575	4.7
179.03531	3.4
191.05627	100.0
192.05981	3.4
245.08113	0.4
259.02237	0.8
277.07050	0.4
289.07153	3.0
319.60767	0.3
323.97943	0.4
353.08765	21.3
354.09024	2.2
451.08868	1.4
451.18369	0.4
478.90323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03445	5.8
58.00603	0.5
59.01375	23.5
60.01709	1.4
61.01792	1.2
61.98826	100.0
62.98528	0.5
63.99252	2.8
65.00322	6.5
65.00665	0.4
68.99831	0.3
69.03453	0.6
69.39636	1.7
69.40070	1.5
71.01383	12.1
72.01711	0.9
72.99284	0.6
73.02944	4.0
74.28207	0.4
75.00865	2.9
81.03466	1.4
83.01389	7.9
83.01890	0.6
83.05033	0.7
85.02953	4.7
87.00885	1.3
88.30685	0.4
88.98834	0.7
89.02447	5.2
91.01915	0.9
93.03460	8.7
94.03783	0.9
95.01395	1.4
95.05048	0.5
97.02970	2.1
99.00896	1.5
99.04501	0.5
101.02457	7.3
102.02790	1.0
103.02809	0.4
105.43314	0.3
107.01393	10.7
107.62598	0.3
108.02262	0.7
109.02984	2.5
111.00885	0.4
111.04496	0.5
111.08158	2.1
113.02447	4.4
114.02763	0.5
117.03480	0.4
119.03519	1.8
121.02973	1.3
122.03771	2.5
123.00835	0.5
123.04660	3.1
124.01687	2.5
124.04928	0.6
125.02455	35.2
125.06059	0.5
126.02781	1.5
127.03925	0.4
129.01959	0.8
131.01411	0.9
133.03052	0.4
135.00882	0.7
135.04526	1.3
136.01640	0.6
137.02457	15.6
137.03513	0.8
138.02773	1.9
139.02943	1.4
139.04033	0.9
143.03471	0.6
145.02953	1.9
147.04556	0.4
149.02502	1.9
149.04485	0.5
149.99554	1.0
151.00377	54.1
151.04019	1.1
152.00691	2.3
153.01958	1.2
153.05620	0.5
159.03027	0.6
161.02435	1.0
161.04590	3.1
162.04861	0.5
163.00348	0.4
163.03978	0.9
165.01910	1.4
167.03493	2.2
168.00703	2.5
169.01434	15.9
169.05075	0.6
170.01831	0.5
173.04474	0.4
173.08209	2.7
175.00372	5.1
177.01936	0.5
177.04045	0.5
178.99879	0.8
179.03468	1.0
179.05678	0.7
193.01437	3.7
197.08205	0.6
199.09753	0.4
205.01366	0.4
205.05196	0.4
209.04544	0.4
211.02354	1.2
227.03381	0.9
229.04932	0.6
239.05450	0.6
255.02907	0.7
256.03149	0.4
257.04251	0.6
263.07645	0.5
275.11484	0.5
281.06635	3.2
282.06998	1.5
283.07187	2.4
284.03204	0.9
285.04053	5.1
286.04282	2.6
287.04724	0.6
288.06018	0.5
289.06824	1.2
289.20023	0.6
296.57181	0.4
307.10373	0.4
313.05612	0.8
319.17715	0.7
377.14352	1.3
389.21841	0.6
390.21942	1.6
391.22614	4.5
401.12814	0.4
405.11966	0.7
407.12564	6.3
408.12686	0.4
413.14346	1.1
431.09732	0.8
433.10281	0.5
451.08658	76.8
451.24680	2.9
452.09006	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	450.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57840	0.3
53.06068	0.4
59.01376	4.8
61.98828	100.0
71.01392	0.9
73.02942	0.5
73.61005	0.4
78.95940	0.5
85.02956	0.6
87.22359	0.4
91.97250	0.4
96.81045	0.4
98.19848	0.6
101.02471	0.6
113.02496	0.5
131.03500	0.4
136.04953	0.4
136.07736	1.0
152.99644	0.5
154.25119	0.4
173.04535	0.4
264.80072	0.4
266.44714	0.4
292.09836	0.5
319.21313	0.5
362.49713	0.4
449.26257	0.5
450.11020	0.7
450.20761	1.7
450.28561	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01373	4.4
60.41537	0.2
61.01801	0.3
61.98827	100.0
62.98526	0.3
63.99231	0.3
67.80170	0.3
70.92105	0.7
71.01395	0.6
71.06217	0.3
71.06670	0.2
73.02939	0.5
75.00864	0.4
77.62473	0.3
83.01370	0.3
85.02942	0.3
87.00932	0.3
89.02457	0.9
101.02464	0.8
113.02493	0.4
119.03523	0.3
125.02450	0.3
137.02483	0.3
141.09109	0.4
142.05525	0.3
182.36472	0.3
259.06009	0.3
289.06970	0.3
451.09393	0.4
451.18307	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01377	3.8
60.99313	0.4
61.98828	100.0
63.15892	0.2
64.56824	0.2
65.92561	0.2
67.01885	0.8
71.01395	1.4
73.02982	0.3
75.00873	0.3
78.95911	0.2
79.55291	0.2
80.50858	0.2
81.03429	0.3
85.02959	0.7
87.00889	0.7
89.02447	0.4
93.03465	4.0
93.04015	0.3
94.03785	1.3
95.01431	0.2
97.02941	0.2
99.00900	0.2
101.02473	0.6
103.51270	0.2
109.02929	0.4
111.04579	0.8
113.02464	0.4
117.03430	0.3
123.04517	0.3
125.02511	0.5
134.03752	0.5
135.04556	0.5
136.04897	0.3
137.02475	0.7
145.02982	0.9
151.00424	0.6
151.03925	0.2
159.04520	0.2
161.02510	0.5
163.03856	0.3
165.01991	0.3
173.04550	3.4
174.04866	1.6
189.01990	0.2
191.05661	1.0
211.07594	0.4
242.05711	0.3
251.48436	0.2
276.09543	0.4
285.04187	0.4
287.05655	0.3
288.05774	0.4
289.07071	0.3
341.06924	0.3
450.14880	2.9
450.28250	1.4
451.09891	0.5
451.20203	0.7
451.32492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13280	0.3
55.01863	0.5
56.93683	0.3
57.03456	0.7
58.00592	0.4
59.01380	13.6
61.98831	8.7
65.00323	2.1
67.01908	0.6
67.53298	0.3
69.03461	0.7
69.31410	0.3
70.71981	0.4
70.72319	0.6
71.01389	4.1
73.02946	2.4
81.03444	0.5
83.01391	1.4
83.05074	0.3
85.02954	10.6
87.00881	2.2
87.04563	0.5
89.02453	1.1
93.03464	5.1
95.01418	0.5
95.54418	0.3
96.74513	0.3
99.00918	0.4
99.04574	0.5
101.02469	2.3
105.05573	1.0
107.01408	4.3
108.02187	1.4
109.02988	1.7
111.04517	1.5
113.02472	1.3
115.00386	0.3
119.05056	0.4
121.06613	0.4
123.04526	0.4
125.02455	1.9
127.04028	2.2
129.09244	0.4
133.02919	0.3
134.03722	0.5
135.04536	17.4
135.08150	1.6
137.02469	1.0
137.09743	5.3
139.04036	0.9
140.61514	0.3
151.00381	23.4
152.00865	1.1
153.01851	0.6
155.03488	0.4
155.10793	30.3
156.11157	1.5
161.02480	0.5
161.04559	0.9
165.01949	0.8
166.99747	0.4
171.02962	0.9
172.05260	1.3
173.04559	3.4
174.01791	0.4
177.01813	0.4
177.53369	0.3
181.08736	0.9
183.04521	0.5
187.04036	0.5
187.05949	0.5
187.07654	10.6
188.07996	0.6
191.05621	100.0
192.05974	4.0
195.06500	0.4
199.04037	1.3
199.08002	0.5
199.09766	7.5
200.04872	0.4
202.06424	0.4
213.09248	1.4
214.06302	0.4
214.96732	0.4
215.07140	2.1
225.07629	0.3
227.03467	2.1
228.04208	1.7
229.08682	0.6
231.10226	1.2
241.10786	0.5
257.08191	14.4
258.08496	1.3
275.09201	1.8
283.07477	0.4
286.04443	0.3
287.05612	22.0
288.05994	2.1
389.21655	1.1
404.21341	0.3
449.09283	3.9
449.14771	4.0
449.20218	40.3
450.15054	0.9
450.20514	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	449.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54406	0.3
55.04574	0.3
59.01377	100.0
60.01723	1.0
61.98838	1.3
63.02383	0.6
65.00320	3.1
69.59375	2.1
71.01389	3.1
73.02958	1.1
80.48300	0.3
83.01405	1.3
83.97189	0.3
85.02959	1.7
86.94376	0.3
87.00917	0.4
89.02472	1.0
92.53626	0.3
93.03507	0.5
98.19826	0.5
99.00899	0.5
99.92689	0.3
101.02446	1.6
102.43309	0.3
107.01404	5.6
109.02993	0.9
111.66717	0.3
113.02459	1.1
119.03526	0.4
125.02470	1.4
132.42268	0.3
134.03824	0.3
135.04535	19.7
136.04918	1.2
137.09731	1.5
151.00388	29.1
152.00745	1.5
153.01884	0.4
155.10793	9.1
156.11052	0.4
161.02376	0.3
161.04536	1.4
169.01390	0.3
173.04546	0.6
177.02023	0.4
181.08766	0.6
187.07658	0.7
191.05612	7.6
198.04584	0.3
199.09729	1.8
218.81618	0.3
231.10286	0.4
257.08322	0.7
275.09286	0.5
287.05606	20.9
288.05991	2.0
297.09982	0.4
305.87387	0.3
389.21783	5.2
390.22397	0.4
433.20969	0.4
449.11014	8.0
449.20514	11.1
450.11322	1.2
450.20807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87290	0.3
58.00848	0.2
59.01379	100.0
60.01722	1.2
61.98837	0.4
70.52392	0.9
71.01406	0.3
74.59295	0.3
78.73547	0.3
88.98833	0.3
89.02462	0.3
96.96060	0.4
96.97005	0.3
98.29460	0.3
101.02479	0.4
103.89307	0.2
125.02480	0.5
133.02876	0.3
141.01965	0.3
149.02454	4.0
161.04492	0.4
164.04822	8.2
164.07176	0.5
165.05165	0.6
179.07155	18.2
180.07509	0.9
221.06586	0.3
227.09256	10.9
228.09657	0.7
303.07120	0.3
336.19913	0.3
339.76511	0.3
391.38754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03439	1.2
58.00589	0.4
58.84457	0.3
59.01372	16.4
61.98824	12.9
63.02387	0.5
65.00317	3.0
67.01878	0.6
69.03440	0.5
69.37438	0.3
71.01382	6.4
72.99308	0.7
73.02953	3.0
74.65994	0.3
81.03479	0.3
82.14777	0.3
83.01386	2.2
83.05051	0.3
85.02957	11.2
87.00871	2.1
87.04510	1.1
89.02435	2.1
93.03462	4.6
94.03806	0.4
95.01361	0.6
97.02967	0.5
98.20654	1.1
99.00869	0.8
101.02465	3.5
102.02775	0.5
105.05563	1.6
107.01392	6.0
108.02197	1.1
109.02952	1.3
111.04523	1.3
112.50115	0.4
113.02470	1.7
119.03517	0.5
119.05027	0.5
119.16316	0.3
121.02966	0.6
125.02459	2.7
127.04024	2.1
135.04530	22.7
135.08150	1.8
136.04843	0.9
137.02451	1.5
137.09724	6.9
139.04013	1.0
145.02943	0.7
151.00375	36.8
152.00717	1.1
152.14511	0.4
153.01962	0.5
155.03484	0.4
155.10782	48.4
156.11160	1.9
161.02480	0.5
161.04599	1.1
165.01936	0.6
166.99774	0.4
169.01469	0.8
171.02953	0.5
172.05270	1.5
173.04570	3.8
181.08702	1.9
183.04465	0.6
187.07660	11.1
188.07938	0.5
191.05608	100.0
192.05943	3.6
199.03958	1.3
199.09738	10.9
200.04767	0.8
200.10065	0.4
213.09146	1.1
213.11226	0.5
215.07132	2.0
223.06223	0.6
227.03433	2.2
228.04303	2.2
231.10254	1.5
241.10814	0.8
257.08160	13.2
258.08548	1.2
275.09177	1.1
287.05573	29.9
288.06110	2.1
301.03387	0.5
302.03461	0.7
303.04031	0.4
389.21667	1.4
449.09991	6.0
449.15280	3.5
449.20230	58.4
450.10684	0.8
450.15393	0.5
450.20538	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65648	0.1
51.68843	0.1
55.01862	0.2
57.03449	0.2
57.25077	0.1
59.01377	100.0
60.01712	0.9
60.87125	0.1
61.98830	2.3
63.05772	0.1
67.01892	0.2
68.96272	0.1
69.03445	0.2
71.01382	2.1
72.99356	0.1
73.02952	0.5
81.03456	0.3
83.01414	0.2
83.05035	0.2
85.02953	5.7
87.00878	1.1
89.02464	0.7
93.03467	2.7
94.03818	0.1
95.01418	0.2
97.02970	0.1
98.19828	0.2
99.00890	0.2
99.04533	0.3
101.02454	1.4
108.02178	1.0
109.02964	5.1
110.03316	0.1
111.04530	0.8
113.02454	0.7
116.92815	0.1
119.03534	0.4
125.02415	0.3
127.04022	1.1
128.62558	0.1
129.01961	0.1
134.03827	0.2
135.04471	0.2
137.02470	0.2
143.03398	0.1
151.00381	0.4
151.04047	0.3
152.01172	0.8
153.01953	3.3
154.02263	0.2
155.03529	0.1
155.10779	0.8
159.02994	0.1
161.04562	0.9
171.03024	0.3
172.05281	0.7
173.04570	1.7
173.06023	0.2
183.04518	0.4
187.04086	0.2
187.07657	6.8
188.08008	0.4
191.05620	59.7
192.05995	2.4
199.04005	0.6
199.09755	0.2
200.04787	0.4
202.06310	0.1
204.04251	0.2
213.09230	0.8
215.07155	1.4
227.03516	0.8
228.04237	0.9
229.08693	0.5
231.10237	0.5
234.69887	0.1
257.08185	8.6
258.08481	0.6
275.09219	1.0
287.05533	0.3
297.05936	0.2
332.62234	0.1
389.21823	5.3
390.22369	0.6
433.20673	0.6
449.10544	2.5
449.14719	1.9
449.20203	0.4
449.24945	1.2
450.10794	0.4
450.24667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22653	0.5
52.69117	0.4
54.75372	0.4
55.01880	0.8
56.32483	0.4
57.03437	2.1
58.00596	0.5
59.01378	28.3
60.01731	0.5
61.98829	22.0
65.00343	0.7
67.01894	1.6
68.99792	1.2
69.03459	0.8
71.01383	13.2
72.99310	3.2
73.02947	4.9
75.00879	8.8
81.03474	0.7
83.01401	1.5
83.05033	0.6
85.02954	22.2
87.00887	8.3
89.02447	3.8
91.04019	0.6
93.03464	5.5
94.03764	0.5
95.01414	3.5
99.00896	7.5
99.04530	0.6
101.02471	1.6
103.00433	0.6
104.02944	0.4
107.01399	1.4
109.02953	1.5
109.06605	1.5
111.00889	1.8
111.04509	1.6
113.02468	11.4
115.00391	1.5
117.01942	1.4
119.03512	1.1
121.03006	0.7
125.02470	1.3
127.04018	1.9
127.07650	3.8
129.01942	1.4
133.03004	0.5
135.04567	5.2
135.08110	1.0
137.02483	1.1
137.09752	5.8
139.00369	4.0
143.03510	1.1
151.00401	7.8
151.07693	0.7
155.03606	0.8
155.10800	64.9
156.11131	3.6
157.01454	1.3
159.04477	0.5
161.02510	1.0
161.04614	1.1
171.03030	0.5
171.06613	1.3
172.05246	1.9
173.04561	3.9
173.06007	1.1
175.02512	1.3
175.04056	0.6
175.60857	0.6
179.05600	0.8
181.08713	1.3
182.99319	1.3
183.04553	0.5
187.04065	0.7
187.07669	12.6
188.08086	0.6
191.05637	91.2
192.06003	2.4
199.04126	0.6
199.09779	12.9
200.04788	0.7
201.05495	1.4
202.06314	2.4
213.09273	2.5
215.07092	3.1
227.03621	1.0
228.04305	1.0
229.08653	1.6
231.04897	0.7
231.10272	4.8
232.10832	0.5
246.64214	0.5
249.06155	11.9
250.06517	0.9
254.74130	0.5
257.08157	10.5
258.08444	0.6
273.13419	8.0
274.13916	1.0
275.09280	7.0
276.09702	0.6
287.05612	8.3
299.01913	0.6
387.16528	1.1
389.14285	0.8
389.21838	3.9
390.22058	0.6
413.14651	1.6
431.15686	2.3
449.16620	100.0
450.16898	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	449.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22036	0.2
57.03448	0.4
59.01377	27.6
60.01721	0.2
61.98834	2.3
64.55574	0.2
65.00329	0.6
67.01903	0.5
69.03450	0.3
69.59159	0.7
69.59570	0.5
71.01381	2.1
73.02939	1.0
81.03459	0.3
83.01404	0.5
83.05051	0.2
85.02955	9.9
86.03293	0.2
87.00887	1.8
89.02445	0.7
93.03461	4.1
95.01391	0.4
98.20592	0.4
99.00899	0.3
99.04530	0.5
101.02457	0.9
105.05569	0.3
107.01424	1.0
108.02180	2.0
109.02962	1.2
111.00897	0.2
111.04534	1.2
113.02440	0.5
119.05021	0.2
121.41895	0.2
125.02407	0.8
127.04021	2.1
134.03773	0.3
135.03511	0.3
135.04536	4.5
135.08115	0.3
137.02434	0.7
137.09746	1.2
139.03983	0.3
139.54784	0.2
140.88451	0.2
142.39873	0.2
149.02313	0.2
150.99248	0.3
151.00394	6.7
152.01169	1.2
153.01874	0.4
155.03514	0.3
155.10799	6.7
156.11057	0.4
159.04515	0.2
161.02435	0.2
161.04538	0.7
165.01904	0.2
171.02936	0.7
172.05342	1.2
173.04547	2.5
173.05910	0.4
175.04074	0.2
181.08688	0.3
183.04446	0.5
187.07649	11.0
188.08008	0.8
191.05620	100.0
192.05959	4.0
199.04013	1.2
199.09738	1.7
200.04675	0.6
202.06252	0.4
204.04137	0.3
211.07477	0.3
213.09203	1.4
215.07101	2.3
227.03471	2.1
228.04260	1.4
228.67413	0.2
229.08578	0.7
231.10339	0.9
257.08176	13.0
258.08499	1.1
275.09195	1.5
287.05600	6.8
287.08658	0.1
288.05673	0.5
389.21811	1.4
449.09302	1.3
449.14026	4.5
449.19653	8.6
450.09894	0.3
450.15158	0.4
450.20221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
53.16228	0.2
57.03431	0.5
59.01377	45.7
61.98828	4.8
63.02391	1.6
65.00323	8.6
69.46260	0.6
69.46664	1.8
71.01372	2.9
73.02956	1.6
83.01391	3.7
85.02962	1.6
87.00876	0.3
87.04530	0.4
89.02457	0.8
93.03446	1.2
95.94566	0.2
97.37309	0.2
99.00861	0.3
101.02469	1.9
105.05548	0.4
107.01398	17.1
109.02961	1.5
111.04552	0.3
113.02466	1.1
124.07707	1.7
125.02453	4.5
125.03316	0.4
133.03049	0.4
134.03738	1.2
134.72365	0.2
135.04538	69.3
136.01678	0.3
136.04852	2.3
137.09738	2.2
151.00385	100.0
152.00725	3.7
153.01909	0.4
155.10797	15.2
156.11087	0.4
159.04503	0.6
161.02533	1.3
161.04573	1.5
164.01176	0.7
165.01927	0.4
169.01459	1.4
173.04584	2.2
177.01897	0.8
179.05731	0.3
179.10704	0.2
181.08815	0.3
187.07683	0.3
191.05627	5.0
196.00137	0.4
199.09784	3.2
200.92471	0.3
241.10960	0.4
257.08206	1.0
269.04517	0.5
275.09274	0.8
279.56537	0.3
287.05594	70.5
287.13977	2.5
288.05896	6.3
288.14551	0.3
297.09882	0.9
389.21808	3.6
449.10797	28.5
449.20261	16.9
450.11093	4.2
450.20395	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Aromadendrin 3-glucoside
Peak:m/z	Relative Intensity
57.03454	1.1
59.01380	9.6
60.99318	0.8
61.98832	20.0
67.01888	4.2
69.03452	3.6
71.01381	2.8
71.33884	0.8
73.02972	0.6
74.29862	0.4
79.23937	0.5
81.03486	2.0
83.01421	1.7
83.05046	0.7
85.02958	2.8
87.00887	3.7
89.02454	1.2
91.05553	0.7
93.02875	1.2
93.03465	20.9
94.03776	0.7
95.01425	1.8
97.02966	2.5
99.00893	0.9
99.04543	0.6
101.02444	1.2
105.03466	0.9
107.01401	2.4
107.05024	0.4
108.02206	0.6
109.02998	1.5
111.00932	0.4
111.04536	4.4
113.02469	1.3
117.03485	1.3
119.03526	0.7
119.05065	1.0
121.02979	1.4
123.00905	6.7
123.04539	6.1
124.00754	0.8
124.01676	17.9
125.02464	64.9
126.02820	1.9
127.04034	0.7
132.02254	0.7
133.02983	3.9
134.03777	3.5
135.04550	4.0
137.02460	5.0
139.04102	0.5
145.02960	1.8
149.02441	0.8
149.99608	34.2
151.00412	4.3
151.04024	1.3
155.03558	2.3
155.10770	0.5
160.01701	1.7
161.02486	1.0
161.04608	0.6
162.03169	0.9
163.04060	1.1
167.02425	0.3
167.03510	15.0
168.00658	61.2
169.01382	5.5
169.12326	0.7
173.04561	28.3
174.04895	1.3
175.00363	0.5
177.01979	2.1
178.02692	0.7
179.03540	1.2
191.03563	3.1
191.05614	21.9
192.05922	0.8
193.01428	0.5
196.50687	0.5
199.13574	0.5
203.10699	2.4
209.04524	1.3
211.07663	1.2
231.10205	3.8
255.02940	0.8
257.08170	2.0
275.09232	10.5
276.09534	1.1
284.03049	0.8
285.03918	1.3
287.05365	0.9
287.08160	0.7
288.06351	0.7
308.08627	0.5
313.05597	3.4
331.06683	6.7
352.07745	0.5
389.21759	1.1
431.09570	2.4
435.48367	0.5
449.10632	100.0
450.10950	13.3
450.20355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1088
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
50.52310	0.3
57.03465	0.5
59.01375	68.4
60.01718	0.8
61.98829	4.8
63.02396	1.2
65.00320	8.5
69.03422	0.5
69.47570	3.2
71.01380	3.5
73.02962	1.3
83.01402	4.5
85.02962	1.8
87.04521	0.5
89.02451	1.4
93.03436	1.8
101.02454	2.1
104.11426	0.3
105.05643	0.4
107.01396	17.6
108.01677	0.6
109.02982	0.9
113.02467	1.6
119.03510	0.5
121.02956	0.4
124.07681	1.4
125.02453	4.8
134.03770	0.8
135.04536	68.5
136.01630	0.4
136.04884	2.8
137.09732	2.9
145.02998	0.5
151.00380	100.0
152.00746	3.7
155.10786	18.2
156.11163	0.9
161.02449	1.1
161.04590	1.2
164.01158	0.7
164.55115	0.4
169.01428	1.3
173.04561	0.9
177.01944	0.8
181.08795	1.0
187.07703	0.5
191.05617	4.5
199.09750	4.3
201.05577	0.7
213.11192	0.4
220.39296	0.4
222.34886	0.4
231.10341	0.6
243.14915	0.5
257.08405	0.4
269.04645	0.4
275.09131	0.4
287.05591	71.6
287.13977	2.2
288.05942	6.6
288.14371	0.4
297.09766	1.2
370.84998	0.4
389.21771	4.1
390.22134	0.9
428.04486	0.4
430.83887	0.4
449.10791	27.2
449.20221	21.3
450.11185	3.5
450.20547	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68835	0.5
53.33996	0.4
56.50362	0.4
57.03429	0.4
61.98822	0.5
63.02388	0.8
65.00320	6.4
69.39952	4.3
69.40337	0.9
79.48427	0.4
83.01385	2.7
93.03455	0.9
97.02961	0.5
107.00717	0.9
107.01406	12.1
109.02958	2.3
116.45454	0.4
123.04507	0.4
125.02448	4.1
131.01418	0.8
133.02934	0.7
134.03746	1.2
135.04538	61.3
136.04865	2.7
151.00383	86.6
152.00665	2.2
161.02490	1.7
165.01968	1.0
169.01469	0.7
175.00378	6.6
176.00479	0.5
177.01961	0.5
181.53319	0.5
191.05641	2.8
193.01448	1.3
217.01477	0.6
225.05595	0.6
269.04510	0.6
287.05609	100.0
288.05957	8.3
311.05630	0.7
313.05585	0.8
427.09268	0.5
431.09448	0.4
444.17877	0.5
449.10678	2.0
449.16302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03452	2.8
58.00587	0.9
59.01379	57.1
61.98829	100.0
62.98531	0.8
63.99253	1.1
65.67290	0.6
68.99824	1.4
69.74835	3.5
71.01384	30.2
72.99317	1.2
73.02953	9.3
75.00883	1.7
83.01394	5.7
85.02960	14.5
85.03458	1.1
87.00890	2.3
89.02451	13.1
93.03465	39.0
94.03817	1.0
95.01379	3.4
96.99330	1.7
97.02961	1.2
98.19867	0.8
99.00878	3.3
99.04547	2.6
101.02457	26.3
108.02193	5.8
109.02976	5.8
113.02460	14.9
119.03516	6.1
119.05067	0.8
121.02974	3.8
122.03756	50.6
123.04552	32.8
123.05460	0.7
124.04913	1.7
125.02477	3.1
131.03542	0.9
131.05061	0.6
135.04521	1.5
136.01660	3.7
137.02461	82.6
138.02783	3.3
143.03496	1.6
145.02988	1.4
147.04492	1.6
149.02432	2.7
151.04012	1.3
155.10829	1.5
159.03055	0.8
159.04446	0.8
161.04576	8.7
163.03966	0.7
165.05566	1.0
173.04604	2.4
177.05592	0.8
179.03519	1.4
179.05591	2.0
187.07642	1.4
191.03545	1.8
191.05623	6.0
199.09747	0.9
213.05821	0.6
221.04567	2.0
227.03456	0.8
243.06534	1.1
255.03185	0.9
275.09219	1.4
281.06656	54.4
282.07108	3.7
285.04086	4.6
287.05643	2.7
287.18530	0.9
307.10281	0.7
312.30234	0.6
389.21805	35.7
390.22195	3.7
401.12433	0.7
405.11908	74.7
406.12219	8.1
413.14600	0.8
431.09772	7.0
432.09708	0.8
449.10849	45.3
449.24591	2.9
450.11221	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	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02846	0.7
57.03446	4.2
59.01369	1.8
59.84850	0.8
61.98814	2.5
63.02383	2.0
65.00318	3.1
69.49670	5.6
69.50072	1.4
71.01388	1.1
81.03450	4.3
83.01374	4.5
93.03450	4.8
95.01427	0.7
97.02969	0.8
98.19886	1.3
100.07809	0.7
107.01404	4.8
108.87519	0.7
109.02975	1.1
114.59999	0.6
116.18219	0.6
121.02950	2.6
123.00867	0.9
123.04537	0.8
124.01683	1.4
125.02456	40.6
125.73531	0.9
126.02798	1.2
133.02960	2.0
137.02451	1.2
139.04048	1.4
145.06566	0.9
146.58221	0.7
148.01682	0.7
149.02440	2.7
151.00377	18.1
152.01143	3.5
153.01936	6.6
157.06723	1.3
158.03726	1.2
159.04520	0.8
160.22505	0.7
165.01965	1.6
167.03532	1.1
169.01465	1.9
172.05310	3.2
173.06102	10.0
175.00314	2.4
175.04013	2.1
177.05524	4.0
178.99870	14.5
180.00348	1.0
181.01440	2.7
187.07628	1.1
193.01505	0.8
199.07674	1.4
200.04704	1.0
201.05542	4.2
213.05518	0.9
215.07132	12.2
216.07428	1.0
241.05161	1.6
243.06641	6.5
259.06088	100.0
260.06390	8.7
269.04535	1.7
273.07684	1.5
283.06082	16.4
284.06427	1.8
287.05591	60.6
288.05957	6.5
301.07202	7.2
311.05496	1.2
313.07184	1.6
329.06546	0.9
341.05063	1.2
351.49002	0.8
351.75916	0.8
361.09384	1.2
378.46249	0.8
421.11429	17.9
422.11801	1.9
449.10849	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	448.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.6
59.01378	7.3
60.01716	0.4
60.99318	1.2
61.98830	100.0
62.98528	0.3
63.11755	0.3
66.61469	0.2
67.01888	3.7
69.03461	1.1
69.50745	2.1
71.01385	2.9
72.99306	0.3
73.02942	0.5
81.03484	0.7
83.01402	0.3
83.05038	0.8
85.02957	1.3
87.00882	4.2
89.02442	1.7
93.03469	22.0
95.01464	0.3
97.03025	0.3
99.00887	0.6
101.02481	1.4
107.98752	0.2
108.02213	0.3
109.03011	0.5
111.02051	0.3
111.04535	3.4
111.61515	0.2
113.02481	1.1
121.02984	0.8
123.04555	0.4
124.01730	0.4
125.02480	0.8
129.01982	0.5
131.03561	0.5
133.02985	1.8
134.03760	2.5
135.04549	4.9
137.02431	1.5
143.03539	0.3
145.02974	0.4
149.02486	0.4
149.04619	0.7
151.00420	1.1
151.04018	0.7
153.01825	0.4
155.03548	0.8
156.81682	0.3
160.01724	0.7
161.02448	0.5
161.04599	0.5
162.03288	0.4
173.04565	22.3
177.01944	0.6
178.02776	0.8
179.03549	0.8
185.36884	0.3
191.05641	6.2
191.10844	0.3
211.13416	1.0
212.13788	1.7
227.07114	1.7
231.10214	1.7
257.08151	0.5
273.98190	0.3
275.09235	2.8
287.05447	1.2
300.02682	0.4
301.03275	0.4
307.08435	0.3
308.09128	0.7
315.04910	0.3
316.05487	0.6
316.18637	0.5
351.07098	0.6
352.08041	1.1
385.12997	1.1
386.13718	0.3
448.10156	1.0
448.22507	1.2
449.14551	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55640	0.2
57.05626	0.2
59.01378	7.2
60.01709	0.6
61.98829	100.0
69.76649	1.6
71.01395	0.6
71.54673	0.2
89.02452	0.6
101.02456	0.3
119.03551	0.3
125.02487	0.7
151.00414	0.2
168.84909	0.2
222.25764	0.2
228.37015	0.3
259.06131	0.8
269.04559	0.3
287.05679	0.6
388.20395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82328	0.2
52.08068	0.2
53.86060	0.2
56.31971	0.2
57.03448	0.4
59.01377	7.0
60.01712	0.5
61.01811	0.2
61.98829	100.0
63.18479	0.2
67.01896	0.3
69.03455	0.3
69.29265	0.3
69.29680	1.5
71.01383	2.1
71.05028	0.8
72.01686	0.2
72.99335	0.4
73.02950	0.8
75.00877	2.2
76.77039	0.2
83.01420	0.4
83.04981	0.2
85.02957	1.3
87.00883	0.7
88.98844	0.2
89.02438	1.3
93.03471	3.5
94.03856	0.2
95.05052	0.4
97.02964	1.4
98.19866	0.3
99.00893	0.3
99.04531	0.2
101.02442	1.0
107.01427	0.3
109.02955	0.3
111.04518	0.6
113.02473	1.0
119.03512	0.6
119.05022	0.3
121.02965	0.6
123.00877	0.2
125.02460	0.8
127.04026	0.2
133.24767	0.2
135.04530	0.6
136.01682	0.3
137.02452	1.7
137.09724	0.2
137.36649	0.1
138.02847	0.4
139.04028	7.6
143.03511	0.3
145.02982	0.3
147.04529	0.7
148.04880	0.5
149.99652	0.2
151.00380	1.1
151.04099	0.2
155.03510	0.8
155.10811	1.7
159.04500	0.3
161.02441	0.4
161.04578	0.6
163.04012	0.3
165.01930	0.7
168.00616	0.4
172.05310	0.8
173.04576	7.6
173.06030	0.5
174.03250	0.3
179.03511	1.0
179.05614	0.2
180.03857	0.4
183.03047	0.4
187.04070	0.3
187.07664	7.5
191.05624	7.2
195.03004	0.2
198.06789	0.3
199.09734	0.6
200.04803	0.3
201.05563	0.8
202.06387	0.9
213.09203	1.7
215.07138	0.8
227.03511	2.2
228.03848	3.3
229.08720	0.4
230.08986	0.2
231.06630	4.4
231.10208	3.5
239.05553	0.5
240.05962	0.4
247.89377	0.2
255.02986	2.3
256.03342	4.3
257.03857	0.6
257.08163	1.7
270.01593	0.2
271.02432	0.8
272.03027	0.3
275.09241	5.8
281.06674	0.2
284.03232	1.5
285.03638	4.4
286.04169	1.4
287.05667	0.8
299.01920	1.1
300.08264	0.2
316.02130	0.5
388.20599	0.4
389.21826	1.0
405.12802	0.2
448.09598	7.5
449.11359	1.7
449.20172	1.0
458.93997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
60.01710	0.2
61.98829	100.0
62.98528	0.2
64.21679	0.1
67.01885	0.2
70.62233	0.5
71.01376	0.8
73.02946	0.2
83.01413	0.1
85.02957	0.9
87.00879	0.4
87.80714	0.1
88.51007	0.1
89.02455	0.5
93.03465	1.7
98.20016	0.1
100.29465	0.1
101.02470	0.5
109.02982	0.3
110.03626	0.2
111.04556	0.3
113.02460	0.4
119.03574	0.1
121.02991	0.2
123.04494	0.1
125.02454	0.4
127.04009	0.2
133.03035	0.2
134.03781	0.4
135.04559	0.3
136.03419	0.1
137.02451	1.0
145.02969	0.6
146.03566	0.1
151.00429	0.3
155.03571	0.2
155.09480	0.1
161.02522	0.2
161.04622	0.1
164.01248	0.2
165.01956	0.4
166.81424	0.1
167.03525	0.3
173.04594	2.2
177.01964	0.3
178.02852	0.2
179.03371	0.2
187.07706	0.2
191.05624	7.0
217.08682	0.2
229.08710	0.5
231.10341	0.3
257.08185	1.1
263.86594	0.1
272.02783	0.2
275.09338	0.7
286.55188	0.1
287.05679	0.3
301.03311	0.2
302.04010	0.3
367.11923	0.4
385.13107	0.4
389.21875	0.2
400.77478	0.1
407.08237	0.2
449.09213	0.5
449.15204	0.9
455.48126	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	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
57.03436	0.3
58.00578	0.1
59.01378	9.6
60.01708	0.4
61.98830	100.0
62.34544	0.1
62.98528	0.2
68.99821	0.2
70.00068	0.8
71.01385	4.2
72.99311	0.2
73.02953	1.5
75.00889	0.1
83.01379	0.7
85.02959	1.8
87.00894	0.4
89.02458	1.5
93.03469	4.1
95.01409	0.5
96.99323	0.2
97.02995	0.2
98.20600	0.2
99.00901	0.4
99.04546	0.3
101.02460	3.2
107.01402	0.1
108.02198	0.7
109.02959	0.7
109.71497	0.1
111.90148	0.1
113.02467	2.2
119.03520	0.4
121.02972	0.4
122.03757	5.9
123.04537	4.6
125.02486	0.5
129.01970	0.2
135.04535	0.7
136.01717	0.6
137.02460	9.7
143.03531	0.1
149.02493	0.3
151.00369	0.8
155.10747	0.2
159.03004	0.2
161.04523	1.1
173.04617	0.2
179.05600	0.2
191.05629	0.8
221.04657	0.2
228.03798	0.2
251.69055	0.2
259.06137	0.3
275.09180	0.2
281.06671	5.5
287.05731	0.5
303.05142	0.2
388.20679	1.0
389.21817	3.9
405.11899	7.6
431.09863	1.0
448.09711	0.2
448.21753	0.2
449.10861	5.3
449.24005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.5
59.01374	4.4
60.01703	0.4
60.23393	0.3
61.98828	100.0
63.40960	0.2
69.42487	0.3
69.58327	0.8
69.58757	1.3
70.86526	0.3
71.01378	2.8
72.01727	0.5
72.97898	0.3
72.99316	0.4
73.02954	1.1
85.02961	1.4
86.03266	0.3
87.00912	0.4
89.02451	1.7
93.03485	0.7
101.02444	2.2
102.02792	0.4
113.02460	0.7
114.02759	0.3
119.03545	0.7
119.69308	0.3
121.02964	13.9
122.03302	8.4
123.04595	0.5
125.02473	0.8
135.04539	6.6
135.05502	0.5
136.04877	4.0
137.02483	0.7
151.00400	0.4
161.04616	0.8
163.04037	0.6
163.06143	0.6
164.04381	0.3
170.21170	0.3
181.07185	2.6
182.07504	1.4
198.13509	0.3
225.05650	0.3
259.06229	1.0
269.04568	0.7
284.08548	0.4
287.05704	1.0
325.11539	0.9
326.11823	2.0
401.14914	0.4
402.14975	0.3
422.23306	0.4
448.15405	3.5
449.10907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79875	0.6
51.74112	0.5
52.41829	0.5
57.03440	1.0
59.01380	17.7
60.02673	0.5
61.98825	6.2
71.01383	54.1
71.05046	0.8
71.57938	0.9
72.01710	1.2
72.99310	15.9
73.02975	0.8
75.00884	0.7
75.42310	0.5
78.95907	1.2
85.02954	1.1
87.00880	17.8
88.98831	0.8
89.02453	1.6
92.68026	0.5
93.03465	4.6
94.02992	26.8
94.03795	1.7
95.03336	1.1
96.96026	8.1
96.96975	3.0
99.00890	0.5
101.02442	1.2
101.06096	2.2
113.02472	1.2
115.00389	16.4
116.92859	2.0
117.92841	0.6
118.98068	0.5
125.02467	1.1
129.01964	3.7
133.01422	2.1
137.02464	9.6
138.01979	100.0
139.02304	3.5
139.03964	0.6
144.04567	18.6
145.04883	1.6
147.03015	55.3
147.06648	13.6
148.03339	1.2
164.27922	0.6
167.03471	0.8
167.28795	0.5
179.05652	0.8
179.07060	1.2
227.09279	2.1
256.31885	0.5
287.05576	0.9
300.07248	3.2
301.08185	0.6
304.88513	0.6
306.09775	1.4
339.24918	0.6
351.07101	0.7
375.07864	0.6
448.10461	2.6
449.11990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61306	0.1
55.57647	0.1
59.01375	2.5
61.98830	100.0
69.32375	1.4
71.01402	0.3
73.02952	0.1
85.02970	0.5
87.00909	0.1
90.76896	0.1
93.03468	0.9
98.20649	0.3
101.02474	0.3
101.73913	0.2
109.02983	0.3
111.00868	0.2
111.04519	0.2
121.02940	0.3
123.04600	0.1
125.02468	0.4
133.02974	0.2
134.03792	0.3
135.04570	0.3
137.02486	1.0
137.09700	0.2
139.00392	0.3
151.00410	0.6
155.10797	0.9
156.11143	0.6
161.04535	0.2
163.04048	0.2
165.01965	0.4
167.03529	0.4
173.04604	1.2
175.07729	0.1
177.01994	0.1
179.03561	0.2
187.07605	0.2
191.05635	2.0
199.09810	0.4
200.10066	0.4
203.10831	0.3
217.08806	0.3
229.08702	0.3
231.10327	0.3
242.11246	0.2
243.02841	0.2
244.03410	0.2
247.09798	0.2
257.08261	0.4
275.09299	0.8
287.05508	0.3
300.02747	0.2
301.03406	0.5
302.03940	0.6
367.11996	0.5
385.12878	0.4
388.20535	0.1
389.22098	0.2
448.09518	1.0
448.19095	0.5
449.08566	0.2
449.14301	0.7
449.24277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2752
Annotation	Xenortide B
Peak:m/z	Relative Intensity
56.29443	0.1
57.03452	0.2
57.81605	0.1
59.01091	0.3
59.01376	3.5
60.99300	0.6
61.98830	4.1
69.45430	0.6
69.45859	0.6
71.01391	0.7
71.05004	0.2
83.05016	0.2
85.02960	0.3
89.02438	0.3
93.03487	0.2
98.20618	0.3
101.02473	0.2
107.01385	0.2
109.02941	0.1
109.06593	0.4
109.53520	0.1
119.03470	0.2
121.02956	0.5
122.03304	0.2
132.80630	0.1
137.02527	0.2
151.00388	0.7
161.04652	0.2
175.58174	0.1
180.95795	0.2
255.03036	0.4
271.02521	0.4
273.04117	0.2
284.03271	0.2
285.04086	0.3
293.19135	0.1
300.02762	0.6
301.03491	0.6
303.87814	0.2
341.24927	0.4
345.20779	0.2
351.23090	0.2
355.22717	0.3
357.24384	0.1
359.10413	0.2
367.26495	2.0
368.26819	0.3
383.25961	1.3
385.27487	6.4
385.32547	0.3
386.27701	1.0
387.20264	0.3
399.25485	0.6
401.26974	5.7
402.27170	0.9
403.28592	1.4
411.25409	0.3
429.20789	0.3
429.26440	5.8
430.26605	1.0
433.25995	0.2
447.27499	100.0
448.10461	0.3
448.27835	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	447.275
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25605	0.3
57.03418	0.6
59.01378	25.0
60.99268	0.8
61.98824	3.5
70.80841	0.9
71.01350	0.6
73.02954	2.8
78.95875	0.8
83.04967	0.3
83.78325	0.3
89.02446	0.7
93.03458	0.3
101.02448	0.5
102.55808	0.3
107.01339	0.5
113.02406	0.4
113.76357	0.3
121.02951	0.4
124.45988	0.3
142.50476	0.3
151.00385	1.6
152.99648	1.4
155.10643	0.3
161.04553	0.6
178.99838	0.7
211.13319	0.7
217.26123	0.3
245.04446	0.3
255.02945	0.7
257.04352	0.4
271.02420	1.0
271.20621	0.3
273.03967	1.1
284.03375	0.5
284.98969	0.3
285.03976	0.6
287.23782	1.2
288.24054	0.4
293.18921	0.4
300.02707	1.6
301.03546	2.1
301.21704	0.5
307.20743	0.5
309.22208	0.5
311.19974	0.3
313.21555	0.4
323.23843	0.5
324.23972	0.4
325.21686	0.6
325.25354	0.4
339.23236	0.7
341.24838	2.2
349.38016	0.4
369.24332	8.5
370.24576	0.9
387.25388	61.5
388.25735	9.3
419.09671	0.5
447.09320	1.7
447.27502	100.0
448.27884	15.5
457.19531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
58.00588	0.8
59.01378	100.0
60.01716	0.9
61.98832	13.0
65.00332	0.6
66.22170	0.3
70.19913	0.3
71.01389	13.5
71.65805	0.5
72.99331	1.1
73.02950	2.4
79.59055	0.3
83.01401	1.4
85.02959	4.0
86.00137	0.3
87.00898	0.9
89.02448	12.4
93.03469	0.7
95.01416	0.9
99.00909	0.9
101.02454	9.5
107.01407	1.0
109.02941	0.3
111.08234	0.4
113.02467	6.1
119.03513	8.2
119.04311	0.5
119.04933	0.4
121.02966	0.6
125.02493	1.2
131.03540	1.1
135.04536	0.7
137.02477	0.3
143.03452	1.6
149.04601	0.9
151.00397	2.8
153.01955	0.4
155.10797	0.5
155.52675	0.3
159.02988	0.4
160.01689	1.1
161.02191	0.6
161.04568	4.7
162.02200	0.5
163.00473	0.4
165.12863	3.9
166.13257	0.3
175.04044	1.4
176.04431	1.0
177.04593	0.7
178.99925	1.0
179.05646	3.7
183.13918	3.7
201.10585	0.3
206.99417	0.4
209.11932	0.5
211.13429	2.1
225.15005	0.4
227.03378	0.4
227.12933	0.5
229.05179	0.5
237.09831	0.5
245.04660	0.5
255.02995	1.7
255.11296	0.3
260.80423	0.3
271.02390	2.2
273.04086	1.3
284.03201	0.8
285.03983	1.6
300.02756	4.5
301.03458	3.8
302.03940	0.6
371.83353	0.3
387.15753	0.4
387.20132	0.4
387.23953	10.6
388.24362	1.1
391.18771	0.3
419.09933	0.7
447.09668	4.7
447.15540	1.1
447.22806	5.5
447.28043	1.0
448.09814	1.1
448.22983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2752
Annotation	Isolinaritriol triacetate
Peak:m/z	Relative Intensity
51.71206	0.2
52.99295	0.2
57.03434	0.6
59.01376	19.4
60.99303	0.8
61.98823	1.1
62.69974	0.2
71.01369	0.3
73.02946	2.6
101.02472	0.2
103.65139	0.2
103.91476	0.2
107.01389	0.2
109.68452	0.2
113.02390	0.2
140.54063	0.2
151.00380	0.7
211.13326	0.5
255.02979	0.3
257.19086	0.2
271.02579	0.4
271.20673	0.6
273.04068	0.5
284.03204	0.3
285.03946	0.4
285.22302	0.2
286.04630	0.2
287.23825	1.2
293.19049	0.3
300.02853	1.0
301.03506	0.6
301.21829	0.4
309.22266	0.5
313.21585	0.3
323.23950	0.2
325.21573	0.5
325.25470	0.5
339.19754	0.2
339.23224	0.8
341.24860	2.3
342.25296	0.3
343.26474	0.5
358.20016	0.2
367.22800	0.3
369.24283	8.3
370.24661	1.4
385.22717	0.2
387.25388	61.3
388.20758	0.4
388.25748	8.0
405.26340	0.4
419.09866	0.2
429.26025	0.3
447.27484	100.0
448.27802	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	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.6
57.34269	0.3
57.51351	0.3
59.01377	100.0
60.01713	1.2
61.98830	18.9
65.73853	0.3
69.85184	1.7
71.01382	9.9
72.99319	0.3
73.02959	2.2
75.00891	0.5
83.01404	1.1
85.02956	3.7
87.00386	0.3
87.00893	1.1
89.02450	6.8
89.03002	0.4
93.03502	0.3
94.26388	0.3
95.01412	0.6
98.19982	0.7
99.00919	1.1
101.02455	6.6
108.02222	0.5
109.02956	5.0
111.00897	0.5
113.02465	4.2
119.03504	3.5
125.02497	0.8
131.03529	0.7
135.69598	0.3
137.02440	0.5
137.09695	0.6
143.03537	1.1
158.94440	0.3
159.03032	1.0
161.04579	6.1
162.04976	0.4
163.11343	0.9
163.38667	0.3
179.05670	2.5
181.01376	1.8
181.12393	0.8
189.12854	0.3
199.04144	0.3
207.13988	0.8
211.09782	0.4
225.15021	2.9
227.03564	1.0
239.03551	0.3
250.53450	0.3
250.97142	0.3
255.03033	0.7
267.07373	0.6
284.03265	3.3
285.04004	5.6
291.15979	0.4
315.14871	0.3
385.11505	0.8
387.20251	14.6
388.20453	1.9
390.24249	0.4
447.09180	2.9
447.22806	0.8
448.09665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
58.00595	0.4
59.01379	100.0
60.01711	1.5
61.01831	0.3
61.98831	28.2
66.90379	0.3
69.60988	2.1
69.61378	0.7
71.01383	6.0
71.62445	0.2
73.02977	1.0
78.38496	0.3
83.01445	0.3
85.02970	1.3
87.00887	0.4
89.02451	7.1
101.02458	3.7
113.02456	2.3
119.03507	3.6
143.03554	1.2
159.03024	0.3
161.04588	3.3
164.77060	0.2
179.05637	2.8
189.12865	1.4
207.13913	0.4
214.69064	0.3
221.98553	0.3
274.58469	0.3
284.38086	0.3
385.15451	0.3
387.20172	6.6
387.24701	0.4
388.20554	0.9
447.22354	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	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01870	1.9
57.03453	1.8
57.16970	0.5
58.00586	3.4
59.01376	96.1
60.01713	1.1
61.98827	8.4
69.03464	1.1
70.74438	1.1
71.01383	65.0
72.01734	0.5
72.99303	3.7
73.02950	17.7
75.00890	1.3
83.01402	3.2
85.02943	9.6
87.00890	2.9
89.02448	100.0
90.02781	1.7
93.03444	0.7
95.01392	3.0
97.02950	2.1
99.00885	23.0
101.02450	47.2
102.02808	1.4
107.01418	0.7
113.02460	19.0
115.04037	1.7
119.02652	1.0
119.03510	17.5
120.03817	0.7
121.02963	0.6
125.02443	5.2
131.03513	17.8
138.53282	0.5
141.30077	0.5
143.03534	3.9
149.04565	54.5
150.04906	2.0
151.00410	1.5
155.10858	0.5
161.04599	5.4
178.99887	1.1
179.04131	0.7
179.05620	8.0
183.13895	1.2
191.03989	0.8
191.05626	13.3
192.05879	0.7
204.13599	0.5
211.13402	19.0
212.13741	1.3
216.08540	0.7
221.06657	1.8
223.12616	0.5
233.06586	1.6
251.07779	3.5
253.09276	2.4
255.02983	1.2
268.03571	0.7
271.02386	1.6
273.04025	1.1
284.03021	0.7
285.04028	1.1
293.08777	1.0
300.02753	3.1
301.03494	2.5
315.17941	1.4
322.14200	0.5
387.19843	0.9
402.53137	0.6
447.09616	4.2
447.22192	32.2
448.09882	0.7
448.22720	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
58.00598	0.4
59.01377	100.0
60.01719	1.3
61.98830	24.7
68.56143	0.3
69.67823	1.0
69.68254	1.2
71.01383	10.5
72.99316	0.6
73.02956	1.1
75.00893	0.8
83.01421	0.6
85.02941	1.7
87.00896	0.8
89.02448	12.3
93.03468	0.4
95.01405	0.7
99.00917	0.5
101.02448	5.7
103.22332	0.3
113.02451	4.9
115.04099	0.3
119.03521	6.2
121.86012	0.3
127.07697	0.3
131.03534	0.8
137.02466	0.3
137.09784	0.3
143.03531	1.2
145.03004	0.5
145.13568	0.3
148.56908	0.4
149.04584	1.1
153.09242	1.0
155.10829	0.3
160.37553	0.3
161.04550	3.2
179.05615	6.4
191.05688	0.9
227.03593	0.8
229.05098	0.5
229.08835	0.4
231.10835	0.3
249.06165	0.6
255.03047	0.8
270.98877	0.5
284.03284	0.9
285.04147	1.2
298.98495	0.7
299.34421	0.3
299.99063	2.1
314.00580	0.4
315.01541	1.7
349.11993	0.3
387.20187	3.2
388.20663	0.3
447.05463	1.1
447.10031	0.7
447.14355	1.8
447.22351	3.6
448.15851	0.4
448.22916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20340	0.3
55.01868	0.6
55.06337	0.3
57.03443	0.6
59.01379	100.0
60.01712	1.3
60.77229	0.3
61.98833	4.4
71.01388	9.9
72.99335	0.6
73.02958	2.3
80.97327	0.3
83.01406	1.5
85.02968	3.8
87.00903	0.7
89.02450	4.4
92.81531	0.4
93.03469	0.6
95.01394	0.6
99.00900	1.5
101.02457	7.4
107.01430	0.5
113.02460	5.4
119.03516	2.2
123.04539	0.8
125.02515	1.0
133.03004	1.1
135.04529	0.4
137.02414	0.4
143.03471	0.6
151.00432	1.6
153.31598	0.3
159.03036	1.0
159.04311	0.4
161.02570	3.0
161.04568	9.5
161.05878	0.5
178.99944	1.0
179.05690	1.5
206.99387	0.7
245.04500	0.7
273.04056	1.8
284.03403	0.4
285.04123	0.5
285.91324	0.4
290.67645	0.4
301.03540	1.2
387.20264	16.9
388.20731	1.5
419.10040	1.4
431.19223	0.7
447.14114	1.3
447.22775	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	447.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.2
60.39495	0.1
61.98822	1.8
62.55415	0.1
62.96398	0.2
71.01366	0.3
71.55774	0.2
71.56209	0.2
78.95904	54.3
88.14597	0.2
89.02434	0.4
89.60270	0.1
96.96967	6.6
96.97610	0.3
101.02464	0.2
121.02976	0.2
123.31570	0.1
149.00087	0.2
150.98055	2.0
151.00404	0.4
152.99594	100.0
153.99916	1.6
161.02512	0.2
161.04500	0.2
171.00644	4.1
178.99860	0.4
187.27013	0.1
206.99336	0.2
211.13391	0.3
223.28110	0.2
255.02882	0.3
271.02478	0.3
273.03992	0.5
284.03204	0.2
285.03989	0.3
293.21167	0.5
300.02716	0.7
301.03455	0.7
387.20358	0.3
419.09833	0.2
447.07825	0.7
447.13684	1.5
447.21472	14.4
447.27097	0.9
448.21909	2.0
448.27655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26151	0.2
55.01881	1.6
56.99792	0.2
57.03443	1.9
58.00591	4.6
59.01377	100.0
59.36797	0.2
60.01709	0.8
60.99337	0.3
61.98816	1.7
65.23152	0.2
66.90752	0.2
69.03465	0.6
69.58130	1.5
69.58543	0.3
71.01384	67.8
72.01724	1.1
72.99311	4.6
73.02949	10.0
75.00876	0.7
81.03458	0.3
83.01392	4.6
84.02180	0.3
85.02956	12.5
86.00111	1.0
86.03304	0.3
87.00885	6.5
89.02451	95.4
90.02320	0.2
90.02766	1.3
93.03474	0.4
95.01414	2.1
97.02955	1.4
99.00893	3.4
99.04512	0.3
101.02454	46.2
102.02789	0.9
107.01395	0.3
109.02984	0.2
111.00894	1.6
113.02460	16.2
114.02843	0.3
115.04002	0.7
119.03517	13.4
125.02460	2.8
129.01967	0.3
131.03517	43.2
132.03873	1.1
135.04533	0.4
137.02437	0.3
138.01984	0.7
139.02222	0.3
139.03987	0.3
143.03525	2.5
149.04572	59.6
150.04935	1.6
151.00349	0.6
151.16058	0.2
155.10786	0.3
161.04526	2.3
161.05466	0.2
178.99759	0.3
179.05627	5.0
191.05623	21.1
192.06007	0.8
211.13367	1.3
221.06721	0.3
233.06624	0.8
251.07657	1.1
273.03955	0.4
293.08817	0.2
300.02814	0.6
301.03372	0.7
315.18216	1.2
327.18228	0.5
345.18866	1.2
387.20486	0.5
413.15939	0.3
447.08972	0.7
447.22177	11.0
448.22589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99722	0.3
58.98977	0.3
59.01376	100.0
60.01722	0.9
61.98828	8.7
69.46276	2.6
71.01382	6.0
73.02943	0.6
82.32951	0.3
83.01379	0.6
85.02965	1.0
89.02451	7.8
98.19830	0.4
101.02448	4.2
113.02469	2.8
119.03507	3.8
131.03581	0.5
142.28287	0.3
143.03558	1.0
149.04628	0.4
161.04568	3.2
163.11186	0.3
179.05623	2.9
189.12875	1.8
207.14003	0.9
307.72214	0.3
387.20227	5.1
388.20654	0.6
418.70242	0.4
421.23517	0.4
447.22440	1.6
452.91418	0.3
457.23102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85070	0.2
55.01871	0.4
55.50028	0.2
57.03431	0.7
58.00594	0.5
58.02612	0.3
58.19654	0.3
59.01378	27.0
60.01686	0.3
61.98817	0.9
69.03451	0.4
69.69189	1.8
71.01385	12.5
72.99298	0.7
73.02950	2.9
83.01392	1.1
85.02958	5.0
87.00883	1.2
87.04570	0.3
89.02448	8.5
91.93115	0.2
93.03459	1.0
95.01416	0.6
97.02961	1.0
99.00900	0.9
101.02455	13.4
102.02794	0.3
103.03984	0.3
109.02966	0.3
113.02457	5.4
115.03982	0.6
119.03529	3.4
121.02968	100.0
122.03304	4.1
125.02461	0.6
127.03984	0.4
131.03510	1.1
135.04539	37.0
136.04871	1.7
137.02449	1.2
143.03522	1.2
145.05081	2.1
147.04494	0.3
149.04649	0.4
157.05080	0.3
161.02666	0.3
161.04561	3.0
163.04053	4.3
163.06131	9.2
163.60472	0.3
179.05646	1.2
181.07193	8.1
193.05075	0.6
205.07175	4.8
206.07396	0.4
217.07207	0.5
223.06122	1.5
257.84985	0.3
259.68869	0.3
283.08246	0.5
325.11411	32.2
326.11691	2.6
380.82806	0.3
387.20166	0.3
447.15570	3.3
448.15598	0.4
450.35373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03439	0.6
58.00591	0.6
59.01378	16.5
59.73901	0.3
61.98830	24.0
62.91375	0.3
67.59039	0.3
68.02176	0.3
69.03449	0.4
69.87086	2.0
71.01384	12.9
71.01782	0.7
72.99305	0.7
73.02942	6.0
74.03290	0.3
75.88694	0.3
83.01399	1.1
85.02955	4.3
87.00891	1.4
89.02449	6.4
93.03420	0.4
97.02965	1.1
98.19978	0.5
99.00874	1.0
101.02456	10.1
103.04015	0.8
107.04961	0.4
113.02463	5.3
115.04021	1.2
119.03516	2.6
121.02969	100.0
122.03300	3.7
131.03539	1.1
133.05107	0.4
135.04539	44.5
136.04863	2.5
137.02429	0.8
143.03499	1.0
149.02275	0.3
161.04561	3.4
163.04022	6.6
163.06099	3.4
179.05659	0.9
181.07210	17.2
182.07545	0.9
193.05121	0.7
205.07156	1.2
211.06094	0.8
223.06142	2.8
223.08154	0.4
269.10294	2.3
276.78162	0.3
283.08224	1.2
325.11380	12.8
326.11685	0.8
401.14606	2.7
402.15131	0.4
447.15048	16.2
448.15393	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79963	0.5
54.21464	0.6
55.54810	0.5
56.98026	0.7
57.03434	1.6
58.00583	1.6
59.01376	45.7
60.01756	0.9
61.98829	85.7
62.25529	0.6
63.02413	0.7
65.00327	1.2
66.93913	0.5
68.09012	0.5
71.01381	9.2
71.56799	1.1
72.99295	1.3
73.02947	6.2
74.69498	0.5
75.00873	7.2
83.01407	2.2
83.04999	0.5
85.02955	4.8
87.00904	1.2
87.04518	7.8
88.98811	0.9
89.02451	4.6
93.03463	2.3
95.01396	1.3
97.02952	1.6
101.02448	11.4
107.01411	2.4
108.02236	0.9
109.02956	1.1
111.00869	0.7
111.04543	0.8
113.02482	2.8
113.06055	0.7
113.24989	0.5
117.03480	1.4
118.98116	2.2
119.03522	1.6
119.05024	0.7
121.02989	1.0
122.03728	0.7
123.04559	1.2
125.02454	2.4
131.03455	0.7
133.02985	0.7
135.00902	0.7
135.04552	2.8
135.08194	2.9
137.02509	3.4
137.06117	0.7
137.09734	18.4
138.09995	0.8
139.11285	2.1
143.03519	0.8
145.02977	2.8
146.03300	1.1
147.03465	0.7
149.00700	1.3
149.09758	0.6
151.00374	6.4
153.01962	0.9
155.10791	99.6
156.11118	5.6
161.02441	1.5
161.04543	4.3
163.00410	1.0
163.04048	0.9
164.01111	0.8
167.10768	0.8
169.01447	0.6
169.12325	4.7
171.04471	1.0
173.04509	0.7
175.03990	1.0
177.04115	0.9
178.99837	2.1
179.03465	0.8
179.10742	0.7
181.08711	5.5
183.04503	0.9
185.06033	0.7
187.04036	1.1
191.05634	1.8
192.99666	1.1
197.02562	0.7
199.04042	5.2
199.09761	98.0
200.10138	5.3
201.01909	1.6
203.03499	1.2
213.11290	4.3
215.03511	4.5
216.03961	0.9
225.14948	0.9
226.02693	1.8
227.03459	5.9
241.10808	23.9
242.02151	10.0
242.11047	1.5
243.02966	44.5
244.03275	3.4
245.04407	1.0
255.03004	5.6
256.03540	1.0
257.04553	12.9
258.04871	1.2
270.01672	12.4
271.02435	49.6
271.11829	5.2
272.02808	4.2
273.04111	0.9
283.02206	0.6
284.03244	3.1
285.04053	26.4
286.04697	7.4
287.05399	0.9
299.01993	10.9
300.02704	16.3
301.03430	7.4
301.12915	22.7
302.03879	0.8
302.13303	1.6
314.04315	55.5
315.04971	16.9
316.05322	0.7
327.09277	2.6
357.05933	1.1
361.14999	10.1
362.15329	0.7
387.09906	0.6
387.20236	3.1
403.13974	1.1
418.57330	0.7
447.09302	100.0
447.18253	18.2
448.09625	13.7
448.19025	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	447.1297
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.02971	0.4
53.88385	0.3
57.03439	0.6
59.01378	100.0
60.01721	1.1
61.98832	4.0
65.00312	0.6
71.01369	2.0
71.56116	0.6
72.16971	0.4
73.02921	0.5
78.95891	0.6
85.02969	0.4
85.72764	0.3
86.66557	0.3
89.02455	1.1
93.03467	0.8
101.02466	1.2
107.01422	0.4
109.71206	0.4
111.40461	0.4
113.02485	0.5
119.03439	0.6
121.02969	64.8
122.03298	2.0
125.02441	1.0
135.04544	8.5
147.38705	0.4
151.00385	2.6
161.04585	0.6
163.04012	0.8
178.99843	1.2
203.03497	0.4
211.13257	0.7
225.14943	0.5
227.03409	0.5
255.02910	0.9
256.03122	0.4
271.02570	2.0
273.03995	1.6
284.03177	1.0
285.04022	1.5
286.04547	0.7
300.02756	2.7
301.03564	3.4
319.60812	0.4
387.20480	0.8
419.09631	1.0
447.09534	4.0
447.27393	5.6
448.09750	0.9
448.27200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03447	0.6
58.00593	0.6
59.01377	21.0
61.98826	1.6
69.03486	0.3
69.94238	1.5
71.01384	11.7
72.99303	0.5
73.02950	3.1
74.22943	0.2
74.61511	0.3
75.42069	0.2
77.03969	0.3
83.01393	1.1
85.02960	5.3
87.00894	0.9
87.04512	0.3
89.02454	7.1
93.03452	0.4
95.01399	0.6
97.02965	1.1
99.00891	0.8
99.04496	0.2
101.02454	11.5
102.02780	0.3
109.02996	0.4
113.02451	3.9
115.04003	0.4
119.03516	2.6
121.02970	100.0
122.03293	3.1
127.04010	0.3
131.03551	0.9
135.04539	37.1
136.04878	1.6
137.02457	0.9
139.04030	0.3
143.03517	0.9
145.05092	1.3
157.05122	0.4
161.04585	3.2
163.04077	3.8
163.06134	8.9
164.06459	0.4
165.05682	0.3
179.05666	1.0
181.07196	8.6
182.07683	0.3
189.05669	0.3
193.05011	0.3
205.07158	3.9
207.70828	0.2
214.55585	0.2
217.05116	0.4
217.07268	0.5
223.06151	1.1
235.08206	0.3
294.51874	0.3
325.11404	29.9
326.11679	1.9
346.98743	0.3
447.15341	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
58.00579	0.9
59.01377	50.3
60.39042	0.7
61.98824	6.9
69.03457	2.5
69.54440	6.7
71.01382	15.0
71.53547	0.7
73.02953	1.8
75.00859	1.8
81.03479	0.9
83.01389	3.1
85.02952	3.8
87.00890	3.9
89.02453	16.4
93.03465	30.4
94.03817	1.5
95.01392	2.5
97.02961	3.2
101.02457	6.5
107.01396	1.2
108.02203	1.5
109.02970	7.7
111.12517	1.0
112.64453	0.8
113.02461	4.3
119.03516	2.9
121.02944	3.3
123.00898	7.4
123.04539	1.8
124.01671	17.1
125.02463	53.9
126.02746	1.2
129.27612	0.9
133.05084	14.5
135.04562	1.4
136.01700	4.2
137.02458	88.7
138.02817	2.8
149.04510	1.7
149.99603	23.2
151.00426	7.5
151.04025	3.3
153.01953	10.0
153.05573	1.8
161.02559	1.3
161.04510	1.0
165.02051	1.2
165.07693	3.3
167.03510	2.3
168.00658	60.3
169.01396	8.3
177.03963	1.5
179.03506	19.3
179.05550	2.1
180.03812	1.0
191.03468	0.8
193.01477	0.8
206.01791	0.8
207.10281	0.9
209.04604	2.5
239.05585	12.4
240.05843	1.0
260.47427	0.8
269.06726	1.1
281.06650	3.1
284.03271	2.5
285.03876	2.1
299.07690	2.2
313.05655	13.3
314.06134	1.2
315.07239	1.3
331.06592	1.6
447.10333	100.0
447.15866	30.3
448.11700	11.7
448.16144	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	447.1295
Annotation	Siebolside A
Peak:m/z	Relative Intensity
55.01877	0.6
57.03453	0.5
58.96260	0.5
59.01379	20.3
61.98832	8.7
67.01908	0.5
69.03456	72.5
70.03786	1.5
71.01383	2.3
73.02952	0.7
77.80112	0.5
78.38077	0.5
79.01880	10.2
79.02304	0.7
81.03451	4.4
83.01396	2.0
85.02955	2.6
89.02460	1.4
93.03467	1.6
95.01394	8.4
97.02958	44.3
98.03298	0.9
101.02452	1.8
107.01399	33.3
108.02197	31.7
109.03012	3.3
113.02456	1.8
117.03477	1.0
119.03526	0.6
119.05020	0.9
121.02975	3.6
123.00906	17.7
123.04568	0.6
125.02459	100.0
126.02787	3.1
133.02989	1.3
134.03741	0.9
135.00897	68.7
135.04543	1.6
136.01741	4.3
137.02496	3.7
145.02969	1.7
149.02478	1.1
151.00385	70.7
152.01167	68.6
153.01933	6.0
161.02419	0.7
161.04541	1.3
163.04022	4.6
165.02045	0.6
171.28445	0.5
175.03960	0.6
177.01933	8.3
178.99884	1.7
189.01947	0.6
197.05997	1.2
206.99416	0.6
207.02983	0.7
221.07938	0.5
225.05595	1.6
242.05841	79.0
243.06587	98.0
244.06900	6.8
245.04442	0.6
255.02998	1.7
271.02441	2.6
273.04074	1.6
277.24414	0.6
284.03195	1.4
285.04071	1.5
285.07703	3.6
300.02802	3.9
301.03537	3.8
302.03662	0.8
339.07129	4.5
387.10855	2.8
387.20782	0.9
419.09906	0.8
442.50018	0.5
447.13193	42.4
447.27213	5.6
448.13666	5.9
448.27618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.7
63.02392	0.7
65.00333	0.8
107.01363	2.3
108.02230	0.7
109.02958	2.3
121.02962	2.9
135.00923	0.7
148.01694	1.0
151.00372	15.9
151.65656	0.4
152.00668	0.5
163.00375	3.6
164.01070	0.5
169.01408	0.5
178.99870	8.7
183.04506	0.6
192.00700	0.5
199.03902	0.5
211.03983	1.0
215.03503	0.5
215.54863	0.4
216.04416	0.5
226.02702	0.8
227.03523	2.0
229.04984	1.2
239.03525	0.7
243.02946	5.1
244.03375	0.7
245.04570	1.7
254.02121	0.8
255.02962	20.1
256.03345	1.2
257.04605	0.5
265.51636	0.4
271.02454	31.1
272.03015	3.3
273.03958	1.5
283.02420	2.4
284.03104	0.7
299.02057	0.5
300.02740	100.0
301.03488	84.6
302.03873	7.5
447.09293	84.1
448.09616	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	447.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.7
61.98826	3.3
68.99825	0.5
70.94173	0.7
70.94503	1.0
71.01382	11.2
72.99317	2.9
73.02962	2.4
75.00871	2.9
75.99559	0.5
78.95900	1.0
79.60201	0.5
83.01376	1.3
85.02940	2.2
87.00886	15.2
88.98804	1.1
89.02449	5.8
93.03465	23.4
94.03799	0.6
95.01388	1.7
96.96015	0.8
96.96983	1.1
99.00885	7.8
101.02460	6.9
105.01942	32.0
107.05013	0.8
108.02180	0.9
109.02985	0.5
113.02477	3.2
119.03522	1.9
120.79579	0.5
121.02962	1.1
123.04546	1.1
125.02474	1.0
135.04544	1.1
136.01672	8.3
136.65135	0.4
137.02460	58.0
138.02811	2.5
143.03458	0.6
147.03012	4.2
149.02444	1.1
151.00439	0.6
151.04030	3.7
153.01913	0.8
153.05582	1.1
161.04585	1.0
179.03505	35.8
180.03864	1.7
209.04530	5.0
209.08133	1.1
219.61575	0.5
225.07658	1.1
233.04564	0.6
239.05594	22.2
240.05893	1.2
268.84192	0.5
281.06656	1.1
285.09711	1.3
297.08353	0.8
299.07693	6.3
309.08188	3.3
327.09329	14.4
328.09515	1.3
341.08749	6.3
447.11349	100.0
448.11636	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	447.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
58.00578	1.1
59.01375	25.7
61.98829	23.5
63.02380	0.6
65.00315	0.9
69.03442	0.5
69.71910	3.0
71.01385	6.9
72.99302	0.6
73.02947	5.3
74.99082	0.4
75.00867	6.6
81.03428	0.6
83.01397	1.4
85.02960	4.8
86.39327	0.6
87.00858	0.7
87.04523	6.1
87.13786	0.4
88.98793	0.7
89.02438	3.0
93.03461	2.1
95.01411	0.9
97.02945	1.3
98.20658	0.5
99.00877	0.9
99.04531	0.6
101.02456	9.6
107.01405	1.0
109.02953	1.0
111.00951	0.7
113.02452	2.6
114.43514	0.5
116.34962	0.4
117.03493	1.1
118.98106	1.3
119.03489	1.2
121.02970	0.5
122.03764	1.4
123.04535	1.3
125.02440	1.8
129.92270	0.4
131.03455	0.6
135.04547	1.2
135.08151	1.7
137.02469	2.4
137.09732	17.9
138.10068	0.7
139.11296	1.4
143.03467	0.9
145.02992	2.3
146.03317	1.7
149.00574	0.7
151.00378	5.6
151.11345	0.7
153.01849	0.6
155.10789	100.0
156.11118	3.7
160.01601	0.5
161.04564	3.2
163.00392	0.6
163.04054	0.7
165.02019	0.5
167.10757	0.6
169.01413	0.9
169.12300	3.9
171.04514	0.9
175.03993	1.3
178.99886	1.3
179.03522	0.5
179.05577	0.6
181.08714	4.8
187.03954	0.6
191.05702	1.3
197.06413	1.1
197.11807	0.7
199.04063	4.4
199.09760	86.8
200.04668	0.4
200.08423	0.7
200.10107	4.3
201.01959	1.9
203.03444	0.6
213.11340	5.1
214.11729	0.5
215.03494	4.5
225.01900	0.7
226.02731	1.1
227.03508	4.9
228.79071	0.5
229.01527	0.8
241.10808	23.3
242.02217	8.4
242.11177	1.0
243.02959	41.9
244.03357	3.5
254.02254	0.5
255.02946	4.8
255.10522	0.7
257.04556	11.9
258.04703	0.7
270.01672	10.3
271.02448	45.2
271.11835	3.7
272.02850	3.5
273.04224	0.9
283.02338	0.8
284.03183	2.5
285.04031	25.4
286.04709	7.4
299.01962	11.5
299.05368	0.5
300.02707	13.0
301.03510	7.9
301.12936	20.0
302.13376	1.4
314.04309	48.1
315.04996	15.1
323.21497	0.5
327.09006	1.2
357.06122	0.6
361.15057	8.6
387.20163	1.5
403.13907	0.8
447.09323	92.8
447.18411	13.3
448.09702	11.0
448.19128	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2957
Annotation	CHEBI:68043
Peak:m/z	Relative Intensity
51.01047	0.4
57.03379	0.5
57.03659	0.5
59.01292	16.9
59.01623	3.0
60.99235	0.5
61.98743	1.3
61.99026	0.5
71.32241	1.0
73.02853	2.2
89.02366	0.5
103.41618	0.5
111.04491	0.5
148.03583	0.4
285.25845	1.0
337.25232	0.8
339.27026	2.2
350.17654	0.5
353.25113	0.4
367.26437	9.2
368.26944	1.2
375.97409	0.5
385.27472	63.5
386.27835	9.8
420.66632	0.5
445.29645	100.0
446.29950	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	445.2957
Annotation	Abeohyousterone
Peak:m/z	Relative Intensity
55.44744	0.3
57.03445	1.0
59.01379	13.8
60.01705	0.3
60.99301	1.5
61.98832	4.7
71.01396	1.1
71.16615	0.8
73.02950	3.1
78.59522	0.3
79.01895	0.6
83.05028	0.4
89.02482	1.0
96.49089	0.3
101.02460	0.4
109.06629	0.4
111.04543	0.7
113.02448	0.5
113.55091	0.3
121.02975	0.6
137.09749	1.9
153.09227	0.5
168.60281	0.4
179.05635	0.6
205.12326	0.5
209.11888	0.5
219.06587	0.4
263.09192	0.5
269.19238	0.5
285.22147	0.9
307.20667	2.0
317.13943	0.6
323.23718	1.3
333.13361	0.5
337.21985	0.5
339.23221	0.5
341.24701	0.4
351.19617	0.7
362.80322	0.4
367.22797	4.1
368.22934	0.6
383.29565	10.0
384.29861	1.5
385.23792	26.1
386.24133	3.9
397.27475	1.1
399.29050	7.9
400.29367	1.3
401.30685	0.8
427.28540	11.0
428.29111	1.8
445.24680	11.5
445.30356	100.0
446.30719	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	446.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26168	0.2
57.03428	0.3
59.01377	6.0
61.98829	100.0
70.78946	0.6
71.01389	2.6
72.99306	0.4
73.02959	0.5
75.00877	0.6
76.01344	0.2
78.95906	0.3
83.01389	0.3
85.02964	1.0
87.00892	0.5
88.98830	0.2
89.02463	1.8
93.03457	1.9
96.96059	0.2
96.96976	0.4
99.00873	0.3
101.02467	1.3
105.01952	0.2
109.03003	0.5
113.02473	0.7
116.92878	0.3
118.98135	0.3
119.03545	0.6
121.03002	0.8
123.04548	0.6
125.02479	1.2
131.03549	0.6
133.03011	0.6
133.05096	0.3
135.04547	0.5
136.01614	0.3
136.04921	0.2
137.02469	3.6
149.04543	0.3
149.99608	0.5
151.00356	0.3
151.04044	0.4
153.01993	0.4
153.05646	0.2
161.02458	1.9
161.04601	0.4
162.02808	1.4
165.01961	0.4
168.00644	1.1
169.01428	0.2
177.04146	0.3
179.03566	0.8
179.05682	0.4
180.04298	1.2
191.05737	0.5
195.03052	0.4
195.05130	0.4
195.06636	1.4
207.10448	0.3
210.05359	0.4
211.31464	0.2
217.70918	0.2
225.07669	3.6
239.00352	0.2
239.05688	0.3
281.06589	0.2
284.03448	0.8
285.03943	0.5
285.09900	0.3
445.26089	0.4
446.13943	2.6
446.26392	0.5
447.10043	0.8
447.15839	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	447.0722
Annotation	XL147
Peak:m/z	Relative Intensity
55.01889	0.5
56.98065	0.3
57.03473	0.9
58.00602	0.4
59.01379	16.5
61.98832	5.8
62.53645	0.4
65.00346	0.6
68.99841	0.5
70.99245	0.7
70.99588	0.5
71.01385	9.6
72.99312	0.4
73.02959	2.6
73.03285	0.2
75.00911	0.5
83.01395	2.1
85.02971	2.9
87.00938	0.8
89.02457	7.0
89.02988	0.4
93.00880	0.3
93.03469	1.9
95.01414	0.6
95.05074	0.9
97.02994	0.5
99.00910	1.8
99.04564	0.4
101.02457	7.5
101.03059	0.6
107.01411	1.5
108.02237	0.5
109.02970	2.7
111.00919	0.4
113.02464	4.1
113.03136	0.4
117.03504	0.4
118.98114	0.4
119.03522	1.9
119.05125	0.4
121.02954	1.4
123.00941	0.3
123.04536	4.0
125.02456	2.3
131.03494	2.0
135.00900	0.5
135.04562	0.8
137.02484	1.3
139.04080	0.3
143.03513	0.7
145.02980	1.8
149.02522	0.8
149.04556	2.6
150.03270	0.6
151.00388	7.4
151.01540	0.5
151.04082	1.0
152.01009	0.5
153.01961	8.0
155.10841	0.6
157.76660	0.3
159.03062	0.6
159.04599	0.8
161.04559	2.9
167.03601	0.6
167.04948	0.4
169.01509	0.7
177.01978	1.5
178.99884	3.4
179.05611	0.8
181.01437	5.5
181.05090	0.8
183.04568	0.6
185.11800	0.3
187.04095	0.4
191.05664	1.1
193.02940	0.3
195.03053	0.5
195.04556	1.3
196.05309	0.7
199.04028	0.6
201.05623	0.4
205.01404	0.4
206.99364	1.6
211.04012	2.4
211.13391	2.8
213.05573	0.5
223.04037	2.9
223.17082	0.4
224.04686	0.4
225.05566	0.6
225.15031	0.4
227.03482	1.1
229.05074	0.8
237.01950	0.6
238.02750	0.5
239.03470	5.0
240.04248	1.5
241.04958	0.8
243.02980	0.5
245.04599	2.2
250.02701	0.3
251.03505	2.7
252.00600	0.5
252.04219	0.3
253.05122	0.4
254.02347	0.3
255.02985	1.2
257.04556	0.9
265.01364	1.1
265.04739	0.3
266.02206	0.4
267.02969	13.5
267.15775	0.3
268.03668	4.9
269.04382	0.9
270.05197	0.5
271.02414	1.1
273.04001	4.7
278.01962	0.4
281.04611	0.6
282.01678	4.0
283.02438	3.2
284.03238	0.4
285.04065	1.4
285.07672	3.3
285.17068	1.1
293.00958	1.3
293.04175	0.3
294.01746	0.5
294.05261	0.5
295.02475	63.4
296.03152	18.9
297.03897	3.4
300.02762	3.8
301.03497	5.2
302.03555	0.4
309.04056	1.7
315.18140	3.4
322.00980	0.7
323.01950	6.6
324.02396	0.7
325.03299	1.6
327.09253	0.4
328.02194	1.6
337.03470	1.5
338.04172	0.8
352.06287	0.3
387.20261	0.9
403.08395	0.7
411.16425	0.6
419.09811	3.7
420.10248	0.4
429.06207	0.7
429.24551	0.5
447.07178	100.0
447.22043	15.7
448.07547	13.2
448.22037	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2593
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
57.03447	14.0
59.01378	44.0
60.99306	1.8
61.98823	2.8
69.03465	0.9
69.40649	4.8
71.01404	1.2
71.05022	0.5
72.99306	6.3
73.02950	7.1
77.50812	0.6
78.95904	0.7
79.01904	0.5
83.05031	0.8
89.02464	1.4
101.02454	1.2
103.40728	0.5
109.06593	1.2
111.04530	1.1
113.02466	0.6
117.59508	0.5
119.03501	0.8
123.08202	0.5
153.12866	0.6
161.04605	0.6
169.10223	1.1
171.11818	1.5
177.83434	0.6
179.05627	0.7
185.13460	0.6
194.97467	0.6
209.11850	1.1
219.06660	0.7
233.08437	0.6
237.16472	0.8
253.16107	0.7
263.09198	1.2
269.18970	0.8
281.15448	0.6
282.16379	0.5
285.22330	0.7
311.20059	1.0
317.14066	0.7
323.23718	1.7
337.21744	0.9
339.23361	1.4
361.16437	0.6
367.22803	7.4
368.22885	1.0
371.22986	0.5
385.23810	99.3
386.24185	12.6
427.28540	1.2
445.25568	100.0
446.25885	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	445.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93128	0.4
52.09380	0.4
57.03444	1.2
59.01382	21.4
60.99302	1.7
61.98834	11.9
71.01381	1.2
72.99323	0.5
73.02957	5.0
83.05042	0.4
85.06610	0.7
89.02446	0.9
101.02483	0.6
111.04538	1.3
121.03006	0.6
123.08160	0.6
135.08189	0.8
137.09737	4.3
149.09772	0.5
151.07677	0.6
153.09241	0.5
160.73750	0.4
171.11794	0.6
226.15152	0.5
233.08150	0.6
237.23164	0.4
263.09247	1.6
269.19092	1.4
281.19165	0.7
283.20526	0.5
285.22134	2.1
300.28748	0.4
305.19281	0.6
307.20651	5.8
308.21106	0.8
311.20053	0.4
317.13687	0.5
323.20190	1.1
323.23865	1.6
325.21884	0.5
333.20740	0.6
337.21756	1.2
339.23270	1.5
351.19547	0.6
367.22800	8.0
368.23172	0.9
376.18967	0.5
383.25076	0.7
383.29602	11.1
384.29846	1.6
385.23782	51.0
386.24210	6.4
397.27393	1.5
399.29047	8.6
400.29251	1.0
401.26379	0.6
401.30972	1.1
427.28537	11.2
428.28745	1.7
431.27878	0.6
445.25220	47.2
445.29617	100.0
446.25497	6.4
446.29996	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	445.2592
Annotation	Berkeleyone A
Peak:m/z	Relative Intensity
57.03445	3.2
59.01377	18.4
60.99286	0.7
61.51802	0.5
61.98822	5.6
69.19769	0.5
71.01319	0.6
73.02954	2.7
83.17396	0.4
92.10043	0.4
95.01318	0.5
117.97222	0.4
274.73169	0.4
285.22153	1.1
307.17252	0.7
307.20651	1.9
323.23849	3.8
325.18045	0.5
337.21707	0.6
339.23291	2.8
367.22775	9.5
368.22955	1.5
385.23840	53.5
386.24167	7.7
401.26721	1.1
427.24207	0.6
445.25815	100.0
446.26147	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	445.2958
Annotation	(R)-4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-7,11-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Peak:m/z	Relative Intensity
51.46459	0.2
52.44445	0.2
52.72641	0.2
54.13072	0.1
57.02199	0.2
57.03445	0.4
58.23842	0.2
59.01375	2.0
60.99309	1.2
61.98824	0.3
70.04055	0.8
71.01373	0.2
71.05032	0.3
83.05023	0.5
89.02423	0.2
98.20605	0.3
109.06560	0.5
109.07265	0.2
109.17337	0.2
111.04508	0.2
116.82455	0.2
152.99591	0.3
172.38492	0.2
174.22116	0.2
317.13867	0.2
353.24918	0.6
363.26910	0.2
365.28485	2.0
379.26102	0.3
381.27985	1.5
383.29553	5.2
384.30005	0.6
385.23947	0.6
397.27365	0.5
399.29037	2.8
400.29355	0.3
401.30670	0.4
427.28525	7.6
428.28778	1.3
443.27908	0.3
445.29590	100.0
446.29947	16.2
446.36487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
57.03444	0.7
58.00584	0.6
59.01377	100.0
59.10717	0.2
60.01709	1.0
61.98827	5.9
69.50260	1.9
71.01382	10.3
72.01730	0.2
72.99303	0.5
73.02963	1.7
75.00872	0.6
83.01393	0.5
85.02943	2.4
87.00889	1.5
89.02449	11.3
92.48701	0.2
93.03484	0.7
95.01418	0.6
96.96020	1.4
97.02986	0.3
99.00887	0.4
101.02452	6.6
101.03079	0.5
111.00919	0.4
111.04530	0.3
113.02459	5.1
117.03467	0.3
119.03511	5.9
119.04308	0.4
119.04983	0.3
121.02985	0.8
125.02506	0.4
129.01947	0.5
131.03566	0.5
137.02493	0.6
141.02000	0.3
143.03505	1.7
145.02963	1.2
147.04535	0.3
149.04623	0.6
151.07693	0.2
153.09236	0.4
155.10838	0.3
159.03003	0.4
161.02533	0.3
161.04579	3.7
163.04071	0.2
165.09253	1.2
177.04044	0.3
179.05606	3.2
181.12469	0.3
182.60805	0.3
187.11267	1.4
195.05342	0.3
204.11600	0.4
205.12309	1.9
209.11826	1.3
215.10921	0.4
223.13446	0.8
233.11911	0.8
277.14386	1.1
341.03098	0.4
385.18701	3.3
386.19144	0.5
409.15131	0.3
428.07870	0.7
445.20914	2.1
445.26215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01372	11.7
61.98824	3.1
62.97031	0.7
64.36050	0.7
65.54602	0.7
70.77748	1.7
70.78114	1.6
71.01370	2.1
74.77217	0.7
78.95902	6.7
85.02943	1.0
89.02430	1.1
101.02446	0.7
110.98544	5.8
111.04535	2.5
113.02520	0.9
121.02948	0.7
167.01199	5.1
185.02185	3.9
205.12325	1.0
219.06566	1.2
220.07333	1.1
233.08173	1.4
258.45990	0.7
263.09067	1.6
277.21710	100.0
278.22067	9.4
295.30392	0.8
317.14084	0.9
333.13354	0.9
385.18857	1.7
385.27475	3.1
405.83655	0.8
445.24286	12.6
446.24194	1.1
446.63699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
57.03445	4.5
58.00585	0.8
59.01377	100.0
60.01719	1.3
61.98824	3.4
61.99044	0.3
65.09823	0.4
66.72666	0.4
69.98834	2.1
71.01383	16.8
71.07347	0.4
71.28461	0.4
72.99319	1.0
73.02941	2.5
77.82237	0.4
83.01406	1.7
85.02959	3.5
85.91455	0.4
87.00897	1.1
89.02448	16.9
89.03001	0.9
90.02753	0.5
95.01417	0.9
95.05038	0.8
97.02975	0.4
97.06600	1.3
98.20554	0.4
99.00893	0.8
100.70729	0.4
101.02457	14.3
108.02205	0.5
109.06636	1.1
113.02463	6.4
119.03521	8.7
121.06620	0.5
123.04546	2.4
123.08213	1.0
123.90477	0.4
125.02445	0.7
135.08167	0.7
143.03543	1.8
147.08231	2.6
149.04579	0.5
149.09721	1.5
151.11334	1.7
153.09280	0.7
159.03056	1.2
161.04565	13.2
161.05875	0.8
161.09763	1.5
163.11320	1.4
165.09248	1.1
175.11223	0.4
177.12886	1.4
179.05652	6.0
179.10785	41.5
180.11127	2.5
187.11282	3.9
189.09227	1.4
203.10841	1.4
205.12337	42.4
206.12694	3.1
223.13379	9.6
224.13687	0.5
235.13411	0.7
237.15013	0.7
247.13171	0.7
263.45374	0.5
265.14426	2.7
266.14664	0.5
318.88739	0.5
341.16052	4.5
342.16199	0.5
352.84854	0.4
367.17786	1.3
385.18549	0.6
445.13681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03444	1.5
59.01376	10.1
61.98834	3.2
69.03478	0.4
69.38753	1.1
69.39178	1.2
71.01385	9.9
71.05025	1.3
72.99303	0.3
73.02950	5.8
73.06573	0.3
75.00875	2.0
75.90365	0.3
83.01374	1.3
83.05031	1.7
85.02953	5.9
87.00872	0.5
87.04498	0.6
89.02452	1.1
93.03474	2.6
95.01398	0.9
95.05037	0.5
97.02964	0.6
97.13244	0.3
99.00903	1.5
101.02446	5.3
101.06092	3.2
107.05012	0.3
109.06620	0.3
111.52028	0.3
113.02448	3.0
113.03648	0.3
117.03474	1.6
119.03535	0.5
119.05036	3.6
121.02980	0.5
125.02441	0.6
129.01968	0.4
133.06595	0.4
134.03836	0.4
135.03496	0.6
135.04533	11.3
135.08182	5.2
136.04866	0.9
137.02449	5.3
137.09734	14.7
138.10069	0.6
143.03471	0.3
145.02966	9.6
146.03310	0.5
155.10794	74.8
156.11137	3.8
159.02951	0.3
161.04593	1.5
161.06091	0.7
163.04001	3.0
169.12321	0.5
174.53214	0.3
177.04070	0.5
179.03503	13.1
179.10703	0.4
180.03876	0.6
181.08731	3.4
181.12358	0.5
199.09760	13.6
199.11607	0.7
200.10106	0.5
205.05048	0.7
213.11293	0.4
223.04068	0.3
235.06180	0.3
241.10776	0.3
265.07104	0.7
283.06091	0.4
283.15662	0.7
293.76498	0.3
304.07062	0.3
307.08218	5.0
308.08496	0.4
385.09146	0.3
409.15186	0.6
445.20822	100.0
446.21140	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	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
58.00595	0.5
59.01377	100.0
59.36327	0.2
60.01704	1.1
61.98830	4.7
69.56001	0.5
69.56409	1.6
71.01384	12.4
72.99315	0.8
73.02969	0.6
83.01422	0.3
85.02955	1.8
87.00891	0.6
89.02450	19.1
90.02806	0.3
93.03470	0.4
95.01417	0.8
95.05034	0.2
98.20647	0.4
101.02458	5.9
107.05015	0.3
108.02186	16.7
109.02992	4.1
111.04587	0.2
113.02465	5.1
117.03464	1.0
119.02660	0.4
119.03514	6.4
119.04967	0.6
121.02962	0.7
123.04506	0.3
125.02470	0.5
131.03520	0.8
133.02975	1.1
135.00887	0.3
135.04532	0.9
137.02521	0.3
143.03484	1.3
145.02963	4.3
147.04469	0.4
149.04555	0.9
151.04037	0.3
152.01158	11.3
153.01981	3.9
153.05583	0.3
153.09210	0.3
161.02475	3.6
161.04549	2.0
163.03947	0.6
169.35437	0.2
179.03535	0.8
179.05620	5.4
181.12344	0.5
183.08127	0.4
202.50597	0.2
205.12354	0.5
211.07536	0.4
239.07146	1.2
346.64063	0.3
385.18317	0.3
445.11200	12.8
445.20856	0.4
445.25717	1.5
446.11426	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	445.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31870	1.8
55.66306	1.7
59.01379	55.4
61.98825	11.2
68.45638	1.9
71.01379	10.1
72.99331	2.3
73.02931	3.4
83.01385	2.0
89.02470	6.7
94.21837	2.1
101.02487	3.7
109.02954	6.0
111.04510	4.3
113.02457	6.1
121.02971	100.0
124.01691	2.8
125.02448	7.0
135.04532	2.7
137.02464	22.8
147.04549	6.3
150.03239	54.3
151.03705	2.9
153.09137	4.8
161.02452	3.3
161.04602	4.7
163.04057	2.2
164.01178	3.0
165.01924	18.8
175.04053	2.1
179.03571	3.4
181.06572	7.1
201.05595	3.4
205.12239	1.8
209.11867	11.7
219.06537	3.8
225.05649	4.7
259.06097	7.8
259.70657	2.3
263.09290	2.3
276.89905	1.9
287.05569	24.5
288.06311	8.4
299.02060	3.4
313.07214	18.7
317.13748	2.7
329.23294	6.2
367.22739	2.0
385.13614	3.7
385.18857	5.3
385.23770	12.8
386.23804	2.9
388.03891	2.5
399.60880	2.2
428.51306	2.3
445.11639	37.8
445.25998	52.8
446.11621	7.6
446.26614	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84792	0.5
57.03450	0.7
58.00583	1.1
59.01376	100.0
60.01717	1.0
60.57327	0.4
61.46277	0.4
61.98826	1.4
63.95472	0.4
71.01382	19.5
71.16983	0.7
72.01729	0.4
72.99310	1.0
73.02961	1.2
82.45280	0.5
83.01424	0.6
83.05041	2.4
85.02950	2.6
87.00893	1.3
89.02451	30.3
90.02812	0.5
95.01431	0.7
95.05048	0.5
99.00843	0.5
101.02446	8.8
107.10786	0.4
113.02456	8.4
119.03519	13.7
121.02966	0.7
121.06608	0.5
122.15167	0.4
125.02587	0.5
131.03528	1.7
134.75507	0.4
143.03505	3.0
145.02911	0.5
149.04575	1.1
159.03003	0.6
161.04559	6.7
161.09756	1.8
163.11273	0.5
174.58609	0.4
179.05620	21.0
179.10791	3.7
180.06068	0.5
187.11238	0.5
205.12393	2.6
223.13397	0.9
305.51132	0.4
385.18674	0.8
445.20953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64621	0.4
56.79699	0.5
58.00599	0.7
59.01375	100.0
60.01706	0.6
61.98823	0.5
69.48411	1.1
69.48824	2.6
70.40266	0.4
71.01380	14.6
72.99319	1.1
83.05033	2.9
85.02934	2.6
87.00916	0.9
89.02448	27.1
90.02802	0.5
95.01415	0.9
95.89013	0.4
101.02445	7.5
113.02457	6.3
113.22755	0.5
119.03505	9.5
119.04291	0.5
131.03542	1.2
143.03514	3.4
149.04584	1.2
161.04561	3.8
179.05620	20.7
180.05959	0.7
205.12207	0.5
239.58414	0.5
317.24908	0.5
370.80887	0.5
440.00613	0.4
445.21002	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
57.94435	0.1
58.00561	0.2
59.01377	9.0
59.54755	0.1
61.98825	4.8
64.25594	0.1
64.67105	0.2
68.99842	0.2
69.03447	0.5
69.41064	0.3
69.41477	1.2
71.01385	4.3
71.05009	0.2
72.99308	0.6
73.02942	0.4
73.89101	0.2
75.00877	2.6
83.01391	0.4
83.04996	0.2
85.02956	2.2
86.89833	0.2
87.00885	1.2
89.02458	2.3
89.03999	0.2
93.03471	1.5
94.16952	0.2
95.01411	0.2
97.02927	0.3
99.00875	0.4
101.02440	2.0
107.01464	0.2
107.05048	0.4
110.77442	0.1
111.00879	0.2
111.04467	0.3
113.02454	1.6
117.03477	25.1
118.03804	1.1
119.03563	0.6
119.05034	10.4
120.05396	0.5
121.02988	0.4
123.04464	0.2
125.02480	0.5
129.01917	1.0
132.02162	0.3
132.05841	0.2
133.06619	0.6
134.03752	0.2
135.04559	0.3
136.01692	0.5
137.02457	3.1
137.06042	0.5
141.01973	0.2
145.02963	100.0
146.03299	4.2
147.04559	0.2
151.04034	0.2
153.09242	0.4
155.10800	0.5
159.02992	0.3
159.04402	0.2
160.01643	1.1
161.02324	0.3
161.04700	0.3
161.06027	1.7
163.04021	9.3
164.04329	0.5
165.01935	0.2
175.04010	1.5
177.01779	0.2
177.04100	3.9
177.05565	0.5
178.99989	0.2
179.03511	1.6
179.05098	0.2
179.05653	0.3
179.10785	0.2
181.12425	0.2
187.04030	0.6
193.04997	0.3
195.05106	0.9
205.05060	1.7
205.12347	0.6
209.04544	0.2
223.13475	0.4
235.06213	0.3
239.05568	1.0
241.01416	0.3
243.31239	0.1
255.02992	0.3
265.07150	0.7
267.15979	1.5
270.01685	0.5
271.02530	0.6
281.06641	1.9
283.15366	0.2
285.52002	0.2
299.01935	0.5
299.07770	0.4
300.02716	0.3
301.03516	0.4
307.08267	0.3
337.09357	0.3
385.09470	0.3
385.18930	0.6
401.25311	0.3
409.15082	0.6
427.16171	0.3
445.15189	40.5
445.20819	5.2
446.15540	6.0
446.21097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
57.03444	0.7
58.00600	0.4
58.77776	0.3
59.01091	0.6
59.01377	11.4
61.98829	2.8
63.02392	0.4
65.00318	1.0
69.63082	2.3
71.01383	4.9
72.99287	0.4
73.02949	2.4
75.00867	0.8
83.01392	1.2
85.02956	2.1
87.00886	0.6
89.02449	4.4
93.03463	4.9
95.01371	0.6
98.19933	0.4
99.00899	0.6
101.02458	3.1
101.06070	0.3
107.01425	2.1
113.02461	2.3
117.03474	25.2
118.03809	1.4
119.03589	0.6
119.05033	13.6
120.05339	0.4
121.02961	1.3
123.04522	0.3
125.02457	2.0
129.02002	0.3
131.03539	0.4
133.02954	0.5
133.06631	0.5
134.03665	0.3
135.04532	0.8
135.08147	0.3
137.01436	0.7
137.02454	10.0
137.06075	0.8
137.09738	1.4
145.02963	100.0
146.03304	5.4
147.04550	0.5
149.02512	0.4
149.04584	0.4
151.00386	8.3
152.01051	0.5
153.01872	0.4
153.09218	0.5
155.10799	6.7
156.11102	0.4
159.04504	0.6
161.02443	1.9
161.04657	0.7
161.06110	1.7
162.03239	0.6
163.04019	13.9
164.04390	0.8
169.01419	0.9
173.02376	0.4
175.04010	1.0
177.01962	0.3
177.04076	0.5
177.05574	0.7
178.99869	4.7
179.03452	0.5
179.05551	0.4
183.04520	0.3
185.02495	0.3
187.04012	0.5
189.01939	0.8
191.03477	0.7
199.09795	1.9
203.03603	0.5
205.05060	2.5
217.01509	0.4
223.13354	0.7
227.03564	1.0
231.03029	0.5
235.06023	0.4
237.06158	0.5
239.03439	0.5
245.00926	0.4
245.04486	0.5
251.03572	0.4
255.03000	0.9
256.03455	0.3
263.09198	0.5
265.07147	1.5
267.02979	0.7
268.03564	0.3
269.04584	0.5
271.02496	0.5
283.02356	0.5
283.15491	2.1
284.03085	0.3
285.04016	0.6
295.02478	2.4
296.03046	0.7
297.04083	2.3
299.02023	0.4
299.22339	0.6
301.03485	0.7
307.08362	0.4
311.01785	0.3
313.03351	1.7
313.16379	0.5
323.01868	3.3
327.01489	2.9
341.02997	7.5
342.03540	0.3
355.04666	0.7
373.05396	0.5
373.25873	0.7
385.13025	0.3
385.18558	0.7
445.07791	32.4
445.15005	53.3
445.20798	9.6
446.08145	3.9
446.15350	6.8
446.21100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27664	0.3
59.01090	0.5
59.01378	7.3
61.98830	0.7
62.78845	0.3
70.12602	0.9
70.13017	0.5
71.01385	5.2
72.99336	0.5
73.02961	0.7
83.01384	0.5
85.02940	1.6
87.00880	0.5
89.02446	4.2
93.03474	0.4
97.02990	0.3
98.19997	0.4
99.00909	0.5
101.02457	4.0
105.03458	0.5
113.02453	1.9
113.03595	0.3
117.03477	1.0
119.03524	1.8
121.02972	12.2
121.05064	1.8
122.03262	0.4
123.04600	0.3
125.02439	0.7
127.47000	0.3
132.02171	0.9
133.02969	28.2
134.03377	0.9
135.04546	9.6
136.04874	0.5
137.02463	1.1
149.00642	0.3
149.02527	0.4
161.02457	100.0
162.02792	5.6
164.04755	0.6
177.05702	0.4
179.03510	6.6
179.05588	0.6
179.07034	0.4
221.04568	0.6
221.06749	0.4
223.06116	1.3
234.36115	0.3
281.06744	0.6
283.10623	0.3
323.09940	0.3
325.11517	0.7
406.34573	0.4
436.52625	0.3
445.13498	75.6
446.13855	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	445.1501
Annotation	Tiegusanin M
Peak:m/z	Relative Intensity
54.79846	0.2
57.03435	0.2
59.01379	5.1
61.98544	0.1
61.98832	2.4
69.03433	0.1
69.50276	1.1
71.01386	2.4
72.99271	0.2
73.02921	0.4
75.00884	1.2
76.34194	0.2
79.46732	0.2
83.01382	0.3
83.51878	0.2
85.02965	1.3
87.00868	0.5
87.24090	0.2
89.02451	1.6
93.03467	2.6
94.03780	0.2
95.01379	0.3
96.99324	0.2
99.00875	0.3
101.02454	1.3
107.05044	0.3
108.02151	0.3
111.00880	0.2
111.04562	0.2
113.02476	1.3
117.03481	24.3
118.03799	1.0
119.03544	0.4
119.05038	8.3
120.05358	0.3
121.02969	0.6
125.02405	0.2
129.01970	0.4
133.06631	0.7
135.04507	0.2
136.01678	0.7
137.02460	5.4
137.06108	0.4
145.02971	100.0
146.03305	4.9
147.04567	0.2
149.02498	0.2
151.04034	0.4
158.03842	0.2
159.04532	0.3
160.01680	0.5
161.04732	0.3
161.06059	1.3
163.04028	7.6
164.04361	0.4
175.04018	0.7
177.04080	1.4
177.05553	0.4
179.03534	2.1
179.05078	0.2
181.12398	0.2
185.06097	0.1
187.04004	1.7
195.05101	0.3
205.05051	1.5
205.12346	0.2
209.04637	0.5
223.13556	0.2
235.06180	0.2
239.05579	1.9
255.02998	0.2
265.07245	0.6
267.16116	0.7
271.02466	0.2
281.06653	3.9
281.09552	0.2
282.07251	0.2
299.02106	0.4
299.07611	1.0
307.08206	0.2
355.51709	0.2
383.10757	0.2
385.09561	0.4
385.18826	0.4
409.15079	0.3
445.15424	29.2
445.20474	2.0
446.15720	3.8
446.21188	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1142
Annotation	5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
Peak:m/z	Relative Intensity
57.03449	0.3
58.00587	0.3
59.01380	41.4
61.98820	2.4
67.69210	0.3
69.03450	0.9
71.01388	5.7
72.99287	0.3
73.02928	0.5
81.03471	1.4
83.01404	0.4
85.02956	2.3
87.00919	0.6
89.02445	6.7
93.03458	0.5
95.01409	1.0
97.02982	0.6
98.20673	0.6
101.02466	2.6
107.01411	0.6
108.02187	100.0
109.02985	32.3
109.03540	0.5
110.03327	0.7
113.02483	2.1
117.98980	0.4
119.03495	2.2
121.02987	1.2
122.03717	0.3
123.00887	1.2
123.04552	0.8
125.02491	1.0
131.03552	0.5
133.02959	0.7
135.00900	1.1
135.04501	0.4
143.03506	0.7
145.03027	0.9
147.04550	3.4
149.04588	0.8
151.04036	1.2
152.01172	74.8
153.01962	28.3
154.02284	1.0
161.02478	0.7
161.04581	1.3
163.04021	1.4
165.01985	1.2
167.08733	0.5
168.26901	0.4
179.05666	2.5
180.05815	0.3
182.56250	0.3
183.08139	2.0
193.06566	0.5
195.08203	0.7
197.06056	1.1
210.06906	1.0
211.07626	3.0
211.61816	0.3
213.09286	0.6
221.06104	0.5
225.03912	0.4
237.05591	0.4
238.06421	0.7
239.07127	8.4
240.07469	1.0
253.08853	0.4
297.06046	0.6
445.11386	96.5
446.05548	0.8
446.11725	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	445.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18330	0.9
59.01379	11.0
63.06343	0.9
70.45869	4.2
71.01391	8.5
72.00893	1.4
72.99313	1.6
73.02964	1.0
74.02476	1.7
75.00875	76.1
85.02960	1.4
87.00891	1.3
89.02451	7.5
92.66114	0.9
96.96963	1.2
101.02451	3.4
103.00378	100.0
104.03547	13.1
105.01989	1.1
113.02424	1.9
115.00388	5.6
118.64179	0.9
119.03509	2.4
124.47561	0.9
131.03500	1.1
133.01445	13.8
135.01947	1.5
135.02994	9.0
149.04582	8.0
161.04521	1.5
170.59865	1.0
179.05600	4.0
181.07225	2.0
191.05688	1.0
224.39493	0.9
240.25258	1.0
341.10910	10.9
342.11121	1.2
465.13214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
57.03443	0.7
58.00589	0.2
59.01381	18.1
61.98832	5.0
65.00327	0.8
65.03947	0.4
68.99833	0.2
69.03471	0.4
69.37945	2.4
71.01383	10.3
72.99299	0.6
73.02952	3.3
75.00880	0.8
75.43510	0.2
83.01395	1.2
83.05042	0.4
84.45982	0.2
85.02966	3.8
87.00882	0.7
89.02445	5.7
93.03467	45.9
94.03813	1.1
95.01404	0.7
97.02984	0.4
99.00915	1.2
101.02460	6.0
107.01395	0.7
107.05081	0.3
109.02965	1.0
111.00935	0.3
111.04566	0.8
113.02456	3.4
115.04046	0.4
117.03483	6.2
118.03861	0.3
119.03595	1.5
119.05042	5.7
121.02955	1.5
123.00933	0.3
125.02450	1.4
131.03514	1.0
133.02983	0.9
133.06606	0.5
135.04527	1.8
135.08197	0.3
137.02461	100.0
138.02777	3.1
143.03543	0.3
145.02971	25.7
146.03276	1.3
149.02438	0.3
149.04587	1.1
149.99614	2.7
151.00391	3.3
151.04060	0.3
152.08516	0.4
153.01956	0.4
153.09235	0.6
155.10782	1.1
158.03848	0.3
159.03018	0.6
161.02469	2.4
161.04578	2.6
161.06102	1.7
163.04015	4.9
163.11313	0.4
168.00635	0.4
169.01424	0.2
175.00424	0.4
175.03958	0.3
177.05553	0.6
179.00064	0.3
179.03537	1.0
179.05647	0.5
179.10873	0.3
181.12367	1.0
191.05600	0.6
205.03447	0.3
205.05098	1.9
205.12463	0.5
209.11856	1.1
211.07617	0.3
219.06641	0.3
221.08253	0.3
223.13470	0.5
227.03598	0.5
233.06444	0.3
235.06122	0.5
241.01381	0.4
244.19916	0.2
255.03030	1.3
263.09311	0.7
265.07156	0.8
267.03070	0.3
271.02530	0.4
283.02597	0.7
283.09851	0.5
283.15527	0.7
284.03186	1.3
285.03992	0.6
295.02527	2.4
296.03195	0.4
298.21176	0.3
299.02078	0.4
299.07861	0.7
307.08209	2.3
313.16534	3.0
314.16977	0.4
317.13849	0.4
320.08069	0.4
323.07712	2.6
324.08008	0.3
331.06772	0.4
385.18790	1.0
401.12820	0.5
417.08383	0.5
445.10352	2.5
445.15082	5.0
445.20871	7.4
445.26007	3.7
446.15768	0.6
446.21130	0.6
446.26431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88428	0.1
59.01325	3.3
61.98767	0.9
69.30322	0.2
69.30719	1.5
71.01382	1.4
73.02919	0.2
75.00826	0.5
83.01382	0.2
85.02956	0.8
87.00851	0.3
89.02448	0.8
92.02653	0.2
93.03468	4.2
101.02456	0.8
107.05046	0.3
113.02452	0.7
117.03478	23.8
118.03786	0.7
119.05043	6.6
120.05360	0.4
121.02943	0.3
133.06612	0.6
135.04552	0.2
136.01666	1.3
137.02463	8.5
138.02809	0.2
139.35004	0.2
145.02969	100.0
146.03305	4.5
151.04056	0.5
155.10806	0.4
159.04590	0.5
161.04875	0.3
161.06064	1.2
163.04022	5.9
164.04361	0.2
175.03986	0.3
177.04185	0.3
177.05606	0.4
179.03516	3.3
180.03947	0.2
187.04010	2.5
199.09810	0.3
205.05081	1.3
209.04659	0.8
235.06229	0.2
239.05595	2.8
241.01549	0.2
255.03185	0.2
265.07416	0.6
281.06662	6.0
282.07242	0.3
293.71600	0.2
299.07739	1.2
307.08130	1.4
385.10025	0.5
389.44040	0.2
412.68970	0.2
445.02859	0.5
445.16092	13.5
446.16367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.114
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.4
59.01378	12.4
61.98814	1.1
65.03955	0.4
69.40000	3.6
71.01382	4.7
72.99310	0.4
73.02949	0.9
75.00876	1.0
82.06075	0.4
83.01411	0.7
85.02953	1.4
87.00919	0.4
89.02449	4.2
93.03468	71.0
94.03785	2.1
95.01440	0.4
101.02452	3.0
113.02470	2.1
117.03478	21.5
118.03808	0.9
119.03539	1.3
119.05042	10.1
121.02980	1.1
125.02491	0.4
136.34894	0.3
137.02463	80.7
138.02814	2.6
145.02971	100.0
146.03317	5.4
151.00444	0.7
155.10754	0.7
159.04599	0.5
161.04625	1.0
161.06116	0.9
163.04034	8.6
163.11185	0.4
175.03954	0.4
179.05606	2.1
181.12335	0.6
186.07697	0.4
187.04033	1.3
205.05141	0.9
205.12321	0.6
213.84593	0.4
241.01352	1.8
242.01979	0.6
245.00844	0.6
265.07187	0.5
270.01709	1.8
271.02557	2.1
274.25781	0.4
298.01196	0.6
299.02103	2.3
300.02161	0.4
307.08240	57.6
308.08554	4.2
341.02475	0.5
356.20789	0.4
385.08490	0.9
385.18423	0.9
409.15018	8.4
410.15213	0.7
443.93558	0.4
445.12036	9.4
445.20853	0.8
446.12054	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2802
Annotation	Fusaproliferin
Peak:m/z	Relative Intensity
55.91135	0.2
57.03475	0.5
59.01382	20.3
59.51661	0.2
60.99329	0.9
61.98849	0.4
69.86116	1.4
73.02954	2.8
73.85424	0.2
75.34192	0.2
89.03733	0.2
92.49919	0.2
98.19933	0.3
103.18383	0.2
107.24046	0.2
171.24443	0.2
235.09868	0.3
267.21185	0.8
283.24188	1.3
305.22852	0.3
307.20560	0.3
309.22391	0.5
319.20755	0.2
321.22232	0.5
321.25732	0.5
335.23758	1.1
336.24304	0.3
337.25354	3.2
339.26968	0.4
347.23920	0.2
365.20230	0.3
365.24878	9.6
366.25269	1.4
383.25925	64.9
384.21320	0.5
384.26279	9.1
398.84003	0.3
401.26797	0.3
418.85422	0.2
443.28006	100.0
444.28345	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	445.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73689	0.3
56.70203	0.3
57.03442	1.0
58.00575	0.4
58.46217	0.3
59.01376	14.7
59.41269	0.3
59.72050	0.3
61.98825	3.6
63.02388	1.7
65.00322	2.2
65.03960	0.4
68.51664	0.3
69.64128	2.3
71.01382	8.1
71.05004	0.3
72.99313	0.5
73.02946	3.7
75.00880	1.7
79.85288	0.3
83.01389	3.1
83.05029	0.7
85.02952	3.0
87.00862	0.4
87.04517	0.5
89.02444	5.8
90.78733	0.3
93.03461	17.6
94.03825	0.4
95.01382	0.5
97.02958	0.6
99.00917	0.6
101.02444	4.4
107.01383	4.7
109.02921	0.4
111.00874	0.3
113.02455	2.6
113.69185	0.3
117.03472	26.1
118.03824	1.3
119.03541	1.4
119.05032	14.8
120.05382	0.7
121.02938	1.1
121.06626	0.3
123.04552	0.5
125.02460	4.4
126.22075	0.3
131.03513	0.4
133.03003	0.7
133.06601	0.9
135.04507	1.1
135.08163	1.1
137.02454	38.6
137.06068	0.9
137.09714	4.1
138.02797	1.3
145.02962	100.0
146.03302	4.6
147.04543	1.1
149.02434	0.8
149.04558	0.8
151.00380	16.2
152.01030	1.0
153.01974	0.4
155.10788	21.2
156.11160	1.0
159.04462	0.8
161.02451	4.7
161.04582	1.0
161.06107	2.2
162.03177	0.9
163.00400	0.5
163.04018	16.9
164.04410	0.8
165.02094	0.3
165.12823	0.4
169.01422	1.7
169.12346	0.6
173.02412	0.7
174.03171	0.4
175.02673	0.3
175.04030	2.0
177.02016	0.3
177.04077	0.5
177.05531	1.1
178.99866	9.2
179.03444	1.4
179.05563	0.5
181.08755	0.9
183.04518	0.6
187.00325	0.6
187.03967	0.6
189.01953	1.7
190.02780	0.5
191.03511	1.4
192.00612	0.8
193.01421	0.9
193.04959	0.5
195.04544	0.3
197.06125	0.3
199.04050	0.6
199.09747	4.8
200.10191	0.4
201.01945	0.5
201.05519	0.5
203.03444	1.5
205.05083	2.2
207.02965	0.4
209.11809	0.6
211.03975	0.7
211.07593	0.3
213.11360	0.4
214.99908	0.4
215.03485	0.5
217.01476	0.4
217.05084	0.7
223.03885	0.4
225.05496	0.5
227.03488	1.7
229.01483	0.4
229.04897	0.4
231.02899	0.9
231.13454	0.4
235.06201	0.4
237.06038	1.0
239.03519	0.5
239.16513	0.9
241.05106	1.0
241.10744	0.7
243.02939	1.0
245.04726	0.4
247.02391	0.7
251.03445	0.7
255.02989	1.4
256.03708	0.8
257.04462	0.6
265.07227	1.1
267.02975	0.8
269.04456	1.0
270.01590	0.4
271.02493	1.0
279.03079	1.0
283.02533	0.6
283.15533	3.5
284.03024	0.5
284.16006	0.3
285.04034	1.3
287.05383	0.4
295.02451	5.5
296.03192	1.3
297.04007	4.5
298.01221	0.6
299.01794	0.9
299.22336	0.4
300.02747	1.0
301.03406	1.9
307.08154	1.3
309.04169	0.4
311.01941	1.3
312.02438	0.5
313.03467	4.8
313.16528	0.9
314.04099	0.4
315.04807	0.5
323.01956	7.0
324.02722	1.0
327.01453	5.0
327.05020	0.4
340.98871	0.8
341.03006	15.2
342.03329	1.2
353.03088	0.7
355.04617	1.2
370.01724	0.4
371.04053	0.4
373.05750	0.9
373.26071	0.8
383.04190	0.5
383.08975	0.4
385.18488	0.6
445.07779	65.4
445.14981	52.9
445.20834	28.9
445.25122	1.2
446.08060	9.1
446.15320	7.1
446.21176	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	443.156
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
50.64975	0.3
51.98536	0.3
54.12165	0.3
55.02386	0.3
59.01375	1.0
61.98830	0.9
69.03087	0.4
69.03445	2.5
69.56087	0.4
69.68934	2.0
71.01385	0.7
81.03463	0.9
83.01399	1.4
85.02995	0.5
93.03458	0.4
95.01402	1.2
97.02963	2.5
107.01422	1.2
109.02955	0.4
121.02959	0.5
123.00907	5.1
124.01682	17.7
125.02463	58.7
126.02789	2.1
129.09238	2.3
136.01714	0.5
137.02457	1.5
149.99602	31.2
151.00337	2.9
156.44106	0.3
167.03580	0.8
168.00653	61.1
169.01357	5.2
193.01457	0.5
243.06531	0.8
269.07001	0.5
273.09882	0.3
313.05710	0.7
343.30518	0.3
417.44913	0.4
425.14493	3.6
426.14697	0.6
443.15576	100.0
444.09778	0.7
444.15924	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	443.1918
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01880	2.3
57.03444	1.4
57.18860	0.3
58.00596	2.1
59.01377	35.3
60.01711	0.7
60.98979	0.3
60.99296	1.1
61.98826	3.5
69.03446	0.3
69.24044	1.9
69.24474	1.2
71.01382	27.3
72.01734	0.4
72.99309	2.7
73.02952	4.9
75.00866	2.4
83.01382	4.0
83.05019	0.6
85.02956	10.3
86.00050	0.4
86.03253	0.4
87.00881	1.7
88.98808	4.8
89.02448	16.8
93.03475	0.9
95.01400	2.7
96.96004	0.4
97.02932	0.4
99.00883	2.1
101.02449	20.2
102.02814	0.3
109.02933	0.5
111.00896	0.3
111.04510	1.1
113.02463	10.1
117.03507	0.5
118.03336	0.4
119.03522	6.8
119.04996	2.2
121.06548	0.5
123.08184	0.8
125.02475	0.8
131.03519	0.6
131.05124	0.4
133.02948	1.6
134.03857	0.4
135.04533	1.7
137.02414	0.6
143.03487	0.6
143.06442	0.3
145.02963	1.8
147.04433	0.4
149.04562	0.7
149.06184	0.4
152.01140	0.5
159.03043	0.4
161.02457	2.4
161.04579	1.5
161.06081	1.0
163.04028	2.6
171.11754	0.6
173.04546	1.7
173.05859	0.4
177.01965	0.3
177.05573	0.7
179.03505	1.5
179.05620	0.7
189.12910	1.2
191.05620	2.1
191.07072	0.4
193.05031	0.6
205.04950	0.6
219.13890	0.8
234.11830	0.3
237.14980	1.1
265.06961	0.3
281.06653	0.4
281.13974	0.7
297.08273	1.8
353.08652	2.0
383.09802	0.7
443.12347	4.9
443.19211	100.0
444.12708	1.3
444.19553	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	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	0.5
59.01374	100.0
60.01701	1.2
61.98823	2.7
69.03429	0.5
71.01380	0.9
71.48617	0.9
73.02966	0.7
75.53088	0.4
89.02483	1.0
91.04025	2.6
94.57398	0.5
101.02451	0.6
111.08179	2.0
118.35581	0.5
121.02986	1.2
162.98195	0.5
197.11832	5.5
199.13547	0.8
211.13440	0.7
263.20087	0.9
286.36276	0.6
291.19629	4.6
309.20679	9.9
310.21127	1.0
341.11044	0.7
383.22418	1.3
423.40524	0.5
425.26981	0.6
443.28485	9.3
444.28653	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	443.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52261	0.5
57.03451	0.5
59.01381	100.0
60.01735	1.0
60.68055	0.5
61.98836	2.7
70.91747	0.5
71.01412	0.7
73.02954	1.0
74.85125	0.4
78.86665	0.5
80.67360	0.6
89.02462	0.8
91.04034	2.5
98.19888	0.8
110.65179	0.5
111.04523	0.9
111.08221	2.1
135.73378	0.5
151.94431	0.5
155.19702	0.5
165.36855	0.5
184.51524	0.4
186.58360	0.5
197.11858	5.5
211.13396	0.8
263.20270	0.7
291.19690	4.1
309.20740	10.7
310.21274	0.9
316.63348	0.5
326.15491	0.5
383.22058	1.1
399.29294	0.6
443.28656	10.1
444.28616	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	443.2803
Annotation	Foetidinol
Peak:m/z	Relative Intensity
57.03438	0.3
59.01377	2.5
60.99303	1.2
61.98824	0.6
63.72194	0.2
66.74223	0.2
67.82847	0.2
69.03459	0.2
70.78811	0.6
71.01390	0.2
71.05040	0.4
72.99313	0.2
73.02944	0.5
81.07104	0.2
83.05022	2.1
85.89193	0.2
107.97556	0.2
109.06633	1.0
111.04486	0.3
127.41237	0.2
270.60757	0.2
305.19244	0.3
317.16443	0.3
321.22223	0.6
327.19516	1.0
351.23462	0.5
363.26981	1.2
364.27545	0.3
365.21182	0.3
379.26376	1.5
381.28033	3.2
382.28317	0.5
383.22290	2.2
384.22623	0.4
395.25912	0.5
397.27472	3.5
397.32599	0.3
398.27591	0.4
399.29276	0.5
407.26215	0.2
425.26947	7.8
426.27283	1.4
441.26694	0.3
443.28091	100.0
444.28412	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	441.3011
Annotation	Triptocalline A
Peak:m/z	Relative Intensity
57.03426	0.3
59.01363	0.5
60.51738	0.2
61.98816	0.4
70.43494	0.6
98.19947	0.2
127.88725	0.2
189.12808	0.7
191.14407	1.6
273.18451	0.3
405.31335	0.2
421.31119	0.4
423.32806	1.3
424.32806	0.3
439.32257	0.2
441.29938	100.0
442.30228	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	442.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40009	0.3
52.75585	0.3
57.03460	0.4
59.01380	3.7
61.98830	100.0
69.53651	2.0
69.54057	0.6
71.01383	2.3
73.02966	0.6
75.00881	2.9
83.28133	0.2
84.20630	0.3
85.02967	1.0
87.00896	0.8
89.02453	2.7
91.96545	0.3
93.03474	0.7
98.02515	0.3
98.20605	0.5
99.00900	0.3
101.02460	1.6
109.02963	0.5
113.02486	0.8
116.92881	1.4
117.03495	0.8
119.03521	0.9
119.05048	2.6
121.02975	0.4
125.02492	0.6
133.02972	0.5
133.06615	0.7
135.04500	0.3
137.02448	1.5
145.02972	4.8
152.01158	0.3
161.02463	1.4
161.04811	0.4
161.06070	2.3
163.04033	3.6
177.05606	1.1
179.03648	0.3
191.05606	2.4
195.05092	0.8
204.86003	0.3
205.05058	2.6
212.24709	0.3
217.27844	0.3
235.06160	0.5
265.07001	1.4
266.24860	0.3
267.56775	0.3
297.08282	7.7
297.11472	0.6
353.08499	0.5
373.21600	0.3
429.10547	0.3
435.40417	0.3
442.10513	0.3
443.11761	12.1
447.07837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03443	0.6
58.00590	0.6
59.01377	11.8
59.76225	0.4
60.99307	13.6
61.98830	3.8
69.62103	2.6
71.01387	8.0
72.99309	1.1
73.02943	1.8
75.00863	2.7
83.01397	1.1
83.05029	0.6
85.02963	5.3
87.00887	2.4
88.98814	100.0
89.02451	5.4
89.99144	0.9
93.03467	3.9
94.03822	0.6
95.01391	0.7
99.00900	1.0
101.02456	5.8
111.04504	1.1
112.71907	0.4
113.02462	3.5
116.92874	0.6
117.03481	0.8
119.03506	1.6
119.05020	3.6
120.02376	0.4
121.02917	0.5
123.04565	0.5
127.04054	0.8
132.42390	0.4
133.02998	1.3
133.06624	0.4
135.04535	3.2
137.02448	3.4
138.02809	1.3
143.03552	0.7
145.02956	3.4
149.00722	0.5
149.04619	0.5
151.04018	0.4
160.01649	0.6
161.02448	3.8
161.04642	0.7
161.06111	1.3
163.04034	4.1
164.04500	0.5
173.04539	3.0
175.02534	0.4
175.04053	1.6
176.04070	1.5
177.05566	0.9
179.03510	3.3
179.05049	0.4
179.05539	0.3
187.56876	0.4
189.12851	0.6
191.05637	60.8
192.06017	2.8
193.05098	0.5
195.83231	0.4
205.05118	0.9
209.08276	0.6
221.04584	0.5
237.02229	0.4
245.04625	0.4
281.06705	0.9
281.10202	0.5
281.13965	0.9
297.08228	3.2
353.08780	10.7
354.09167	1.3
355.10220	0.7
443.11984	6.3
443.19186	20.8
444.13171	0.5
444.19476	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	441.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	5.2
59.01392	29.5
61.98830	33.2
70.09573	17.9
70.09962	10.3
71.01375	14.0
78.07208	4.4
85.02945	9.1
85.84869	4.2
89.02444	10.2
93.03471	6.3
101.02442	11.6
113.02440	7.0
119.03439	6.5
121.88286	4.8
123.10890	4.7
125.02428	5.9
137.02466	21.3
163.04034	6.8
163.28142	4.7
240.14362	5.1
381.21835	12.0
403.12384	20.9
426.63034	5.6
441.18936	100.0
442.19269	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	441.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03453	2.8
58.00586	1.0
59.01378	41.9
61.98832	2.5
69.03436	0.9
69.99080	4.0
71.01384	36.2
72.99315	2.7
73.02947	12.1
75.00850	1.2
77.46638	0.8
83.01394	7.0
85.02953	17.7
85.06610	0.9
87.00877	2.9
89.02449	10.0
93.03468	1.7
95.01382	1.8
97.02925	0.8
98.20807	0.8
99.00889	6.3
101.02454	40.3
108.02122	0.9
109.02970	1.4
111.00890	1.7
113.02461	14.6
117.03499	1.0
119.03567	1.1
119.05067	4.4
121.02997	1.1
122.03751	2.1
123.04567	1.3
125.02440	3.3
129.01950	1.3
129.05598	1.3
131.03508	4.6
133.02965	2.6
135.04477	0.8
137.02406	1.4
143.03506	1.4
145.02994	5.8
149.04573	1.4
159.03011	3.2
161.02486	8.2
161.04567	13.0
161.05960	1.2
163.04059	5.2
177.05574	1.0
187.07581	1.4
205.04999	2.0
209.27853	0.7
235.06146	2.5
235.09355	0.9
249.13420	72.6
250.13741	4.9
258.86551	0.8
265.07153	3.0
275.09250	1.4
279.73779	0.8
293.90671	0.8
318.59232	0.8
367.10318	1.5
381.17664	100.0
382.18036	9.6
441.14066	7.7
442.14401	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	441.3011
Annotation	Triptocalline A
Peak:m/z	Relative Intensity
50.65337	0.3
57.03448	0.7
59.01371	1.5
61.98833	2.4
71.55927	0.8
77.41804	0.3
84.34742	0.3
85.02941	0.6
85.88657	0.3
102.78053	0.3
141.59010	0.3
160.22118	0.3
187.11270	1.0
214.03575	0.3
216.08797	0.3
297.33929	0.3
375.26788	0.5
377.28485	0.4
395.29584	0.4
399.29285	0.7
411.29099	0.9
421.27393	1.6
423.29187	1.5
439.28430	13.2
440.28757	2.5
441.30096	100.0
442.30466	16.4
453.26349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10668	0.4
59.01375	11.4
61.98833	3.2
67.01891	0.8
69.03455	0.4
70.94849	0.8
71.01380	3.4
73.02944	1.0
81.03474	1.0
83.01393	0.6
83.96070	0.4
85.02959	3.5
87.11838	0.4
89.02454	0.5
89.29360	0.3
92.86845	0.4
93.03464	5.3
95.01395	2.2
96.96011	0.5
97.02929	0.5
99.00932	0.6
101.02457	1.7
108.02184	100.0
109.02991	24.5
110.03373	0.8
111.00840	0.4
111.04557	0.5
113.02445	1.7
119.05000	0.7
121.02959	4.7
123.00895	2.4
123.04557	0.9
125.02469	0.6
133.02979	0.8
135.00929	0.7
135.04546	0.7
137.02455	3.7
143.10783	3.4
145.03023	0.8
151.00345	0.4
151.04044	1.4
152.01166	68.6
153.01965	19.1
154.02287	0.6
155.03502	0.7
163.03986	1.6
164.72258	0.4
165.01933	0.6
173.04559	15.3
174.04825	0.8
214.71866	0.4
225.03952	0.5
267.34436	0.3
271.06174	0.6
295.08234	6.2
296.08533	0.8
297.06326	0.4
315.07205	2.7
374.49350	0.5
382.14371	0.7
441.17642	90.8
442.03043	0.6
442.17966	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	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82164	0.3
59.01377	100.0
60.01716	0.8
60.76553	0.4
61.98839	3.2
69.03456	1.5
69.52020	0.8
69.52350	3.3
71.01390	1.9
73.02967	0.6
73.44017	0.3
81.03474	0.4
83.01398	0.7
85.02979	1.0
85.65266	0.4
89.02467	0.8
93.03465	0.8
95.01428	0.5
97.02969	0.9
101.02451	1.3
106.06663	0.4
107.01423	0.7
108.02197	0.7
113.02430	0.8
117.03508	0.6
119.05087	0.4
121.02968	28.7
122.03284	0.9
123.00925	2.0
123.04604	0.4
124.01675	6.7
125.02463	23.3
126.02817	0.6
133.02985	1.4
134.03758	0.9
135.04524	0.5
137.02464	1.6
145.02971	1.1
149.99596	12.9
150.05629	0.4
151.00323	1.5
161.02466	0.9
161.04572	0.6
163.04022	1.0
168.00653	23.3
169.01311	1.8
177.01941	0.8
178.02715	0.5
179.03531	0.5
246.90773	0.4
271.06003	0.5
275.09296	0.6
293.10397	0.7
313.05484	0.8
331.06851	0.4
405.21396	1.0
423.12997	2.0
441.13986	36.5
441.26086	1.0
442.14212	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	441.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91977	1.2
55.01872	1.6
57.03447	2.5
57.69733	1.4
58.00574	2.6
59.01374	100.0
61.98824	11.3
68.89313	1.4
69.46556	11.5
69.46898	1.9
71.01381	52.0
72.99305	2.3
73.02949	5.3
83.01380	4.4
85.02958	11.4
87.00874	2.8
89.02449	49.3
93.03467	2.8
94.67419	1.3
95.01404	4.2
97.02948	2.0
99.00863	2.0
99.04546	1.3
101.02455	39.7
102.02808	1.4
109.02967	6.8
111.59614	1.2
113.02461	19.4
117.03460	12.7
119.03526	21.2
119.05035	31.0
121.02983	2.5
123.04545	2.1
125.02445	3.1
132.05827	1.6
133.02979	19.1
133.06613	15.6
134.03688	4.6
135.04544	11.8
137.02443	4.5
139.07642	9.0
143.03502	3.6
145.02968	71.3
146.03285	2.6
147.04584	2.3
149.04575	1.4
149.06105	5.1
151.03946	1.4
159.04501	1.5
160.01643	6.0
161.02464	90.4
161.04581	8.6
161.06078	20.4
162.02803	1.9
163.04018	37.4
169.08725	1.3
175.03992	5.5
177.04228	2.4
177.05580	14.8
179.03487	14.7
179.05585	3.8
187.04059	1.5
193.05006	4.4
205.05066	20.5
205.12257	3.9
217.12360	3.0
221.04587	8.0
231.10237	1.6
235.06113	9.4
235.13354	1.7
251.05545	5.1
265.07190	16.7
265.09888	2.2
266.07480	2.3
275.09430	1.3
281.06702	12.2
281.09467	2.0
288.43472	1.5
295.10391	57.2
296.10651	4.0
330.13229	14.6
331.13986	7.1
341.08694	5.5
378.68860	1.3
381.11954	6.9
382.12234	1.5
397.18527	3.3
441.12875	79.3
441.18317	31.0
442.13315	8.9
446.63568	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.8
58.00568	1.3
59.01377	21.5
61.98810	2.2
62.94441	0.5
63.11941	0.5
69.03447	0.9
69.58307	4.4
71.01381	14.0
72.99269	1.1
73.02924	2.3
80.12881	0.5
83.01359	1.0
84.31215	0.5
85.02967	3.0
87.00858	0.9
89.02451	12.9
93.03479	2.9
95.01389	1.0
99.00867	1.1
101.02443	8.7
113.02457	5.8
117.03472	5.5
119.03461	5.0
119.05038	44.8
120.05317	2.1
121.02978	4.3
123.04478	1.1
131.03435	0.8
131.04994	1.5
132.02176	3.9
132.05832	3.3
133.02998	2.7
133.04980	1.6
133.06613	19.1
134.03754	5.0
134.06865	1.1
135.04433	0.9
137.02379	1.5
145.02965	36.0
146.03339	1.2
147.04520	5.8
149.05994	1.9
159.04437	1.5
160.01682	17.3
161.02293	2.5
161.06102	40.6
162.03148	1.5
162.06345	1.6
163.04027	54.4
164.04260	1.9
175.04025	21.2
176.04550	0.9
177.05594	18.8
178.05815	1.1
178.68607	0.5
187.03886	1.7
189.05537	2.1
191.07043	0.8
193.05083	3.8
194.05173	0.6
205.05066	41.2
206.05220	2.2
207.06604	0.6
231.10164	1.1
235.03729	0.6
235.06108	11.2
236.06374	0.8
261.54919	0.5
265.07101	16.7
266.07309	2.0
295.10352	60.6
296.10681	4.0
325.09042	1.6
346.64059	0.5
441.13593	100.0
442.13904	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	441.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00566	1.4
59.01374	39.4
60.53838	1.3
61.98822	8.5
69.44754	8.3
69.45167	2.9
71.01376	22.4
72.99281	1.7
73.02951	3.1
75.00881	1.5
83.01365	2.3
85.02945	8.6
87.00865	1.7
89.02452	21.0
93.03458	10.5
95.01347	2.5
101.02446	16.4
108.02148	1.6
109.02928	2.8
113.02451	9.5
115.04039	1.7
117.03479	15.3
119.02749	1.3
119.03573	9.0
119.05042	37.2
120.05401	1.4
121.02914	4.0
124.38133	1.1
131.03445	1.8
131.05029	1.8
132.02138	2.9
132.05800	2.1
132.48807	1.5
133.02917	4.0
133.05037	2.1
133.06612	14.9
134.03761	9.7
134.06940	1.4
135.04491	2.8
136.01613	1.7
137.02463	13.1
145.02957	80.6
146.03256	4.4
147.04512	7.2
149.06055	4.1
159.04477	2.4
160.01666	19.5
161.02493	7.4
161.06078	32.1
162.06416	1.9
163.04008	52.2
164.04324	1.8
175.04010	18.5
176.04680	3.6
177.04123	1.4
177.05565	18.7
179.03549	7.0
187.03963	2.3
191.07097	5.5
193.05013	13.4
205.05051	36.7
206.05341	2.2
207.06598	1.5
233.08325	1.2
235.06096	30.3
236.06377	2.1
239.05452	4.5
251.05731	1.6
256.41882	1.2
265.07141	27.7
266.07391	2.7
281.06644	1.4
295.10458	75.9
296.10602	5.0
299.07477	1.5
321.11703	1.4
325.09055	1.8
381.11880	2.0
381.17426	1.1
441.13745	100.0
442.14017	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	441.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.5
61.98825	3.4
69.81859	0.9
69.82269	2.0
71.01382	5.4
72.99313	0.7
73.02946	1.6
74.98029	0.4
78.95900	0.9
83.01385	0.8
85.02953	3.5
87.00887	1.5
88.98807	0.4
89.02455	2.8
93.03432	1.0
95.01371	0.5
97.02966	0.5
98.20537	0.5
99.00872	0.4
101.02464	3.1
103.77122	0.4
108.02177	1.3
109.02924	0.5
113.02440	2.3
115.04024	1.8
117.03477	17.4
118.98172	0.5
119.03652	0.9
119.05037	15.9
120.05398	0.9
121.02962	1.0
125.02489	0.6
126.26470	0.3
131.03503	0.8
133.06590	1.7
137.02466	1.1
145.02965	100.0
146.03313	4.3
152.01183	0.8
159.03165	0.4
159.04503	0.6
161.02477	1.0
161.04588	1.5
161.06088	4.2
163.04019	23.9
164.04337	1.0
168.00580	0.4
175.03987	0.6
177.04259	0.4
177.05568	2.1
183.10547	0.4
202.84317	0.4
205.05061	7.8
215.21407	0.4
217.12296	1.6
231.10271	0.7
235.06090	7.5
265.07156	11.8
266.07489	0.6
275.09290	0.8
295.10312	5.4
307.08340	0.6
325.09155	2.7
337.01620	0.4
367.10330	59.1
368.10709	5.7
381.11929	0.6
441.13162	5.4
441.18430	1.7
442.13748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1404
Annotation	Yadanziolide B
Peak:m/z	Relative Intensity
52.63168	0.4
59.01379	8.7
59.81895	0.4
61.98832	8.5
66.29491	0.4
69.03456	2.9
69.32037	4.5
71.01385	1.8
73.02963	0.4
81.03483	1.8
83.01387	1.6
83.05043	1.1
85.02962	1.8
88.09492	0.4
89.02439	0.5
93.03465	1.5
95.01387	1.2
97.02953	3.4
99.04516	0.6
101.02464	1.1
107.01401	1.2
108.02203	0.8
109.02946	2.3
113.02473	1.0
115.32563	0.4
119.05035	0.9
121.02952	2.5
122.03753	8.6
123.00905	5.6
123.04586	2.2
124.01683	18.0
125.02463	63.0
126.02798	1.8
129.09242	2.3
135.04568	0.9
137.02452	3.2
145.02962	1.0
149.02464	0.6
149.10712	0.4
149.99602	31.8
151.00406	3.4
161.02473	0.5
163.04060	0.7
165.01906	0.4
165.05560	0.9
167.03482	1.0
168.00656	61.3
169.01372	4.7
173.04639	0.5
175.03935	0.6
177.01936	0.8
178.02641	0.6
179.03448	0.4
190.02721	0.7
191.05649	0.6
193.01404	0.9
193.12346	1.4
205.05016	0.9
275.09140	0.5
287.07846	0.6
313.05685	1.6
322.90479	0.5
331.06619	1.9
337.16556	2.1
355.17447	1.9
397.19046	0.6
423.12997	2.9
440.31500	0.7
441.13986	100.0
441.31085	1.5
442.14371	11.8
442.18893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78505	4.5
59.01377	73.1
60.99298	5.4
61.98828	72.6
69.70690	13.7
69.71121	14.8
71.01385	61.6
72.01667	4.6
72.99311	7.4
73.02946	11.8
75.00859	12.9
78.95900	34.2
81.04578	16.7
83.01393	6.0
85.02971	21.2
87.00887	11.1
88.98801	16.8
89.02446	55.4
93.03481	12.3
95.01390	8.9
96.96033	39.8
96.96966	74.6
98.95583	5.6
98.97420	4.8
99.00912	5.0
101.02455	40.0
101.79345	4.2
107.04987	4.8
109.02967	9.1
109.06635	3.5
112.04086	4.6
113.02435	25.2
113.03799	5.3
115.04014	8.1
115.92091	12.2
116.05064	6.2
116.92860	6.1
117.05589	23.4
119.03525	17.0
119.05044	12.1
121.02959	5.2
123.04485	5.2
125.02488	8.7
129.01958	5.2
131.03493	10.4
137.02423	19.0
145.05003	4.7
149.02512	6.4
151.04016	6.2
153.01939	7.5
161.02498	4.8
161.04576	20.1
163.04021	11.5
165.01956	26.4
173.04523	6.6
173.06058	5.9
173.10826	4.6
177.01949	9.5
179.03499	39.2
179.05623	10.8
180.04298	37.3
191.05630	8.9
194.05904	21.7
195.04871	5.5
195.06648	94.8
195.78271	4.9
196.06990	6.9
199.08740	12.6
221.06671	6.8
225.07695	39.5
243.07874	9.4
255.73283	4.7
261.07501	5.5
271.03757	4.3
279.08676	8.7
357.11890	55.4
368.26364	4.0
371.99237	4.9
381.17828	9.0
387.12677	8.2
403.12448	8.3
441.11282	13.7
441.16214	100.0
442.16547	6.1
443.73871	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	441.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27950	0.2
56.54533	0.2
59.01379	0.4
62.96393	0.2
63.54015	0.2
71.01379	0.4
71.55081	0.3
72.99282	0.2
78.95906	42.1
80.96331	0.8
89.02449	0.2
95.30384	0.2
96.96068	7.2
96.96967	100.0
98.95592	1.5
98.96458	0.4
98.96759	0.2
98.97406	3.2
101.02467	0.4
101.70289	0.2
133.01450	0.3
173.14540	0.2
181.07076	0.3
343.12485	1.7
441.09988	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	441.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80272	0.3
55.01869	0.8
57.03442	1.2
58.00578	0.8
59.01374	27.2
61.98818	1.0
67.62582	0.4
68.99814	3.1
69.03453	0.6
69.34492	2.2
69.34906	1.0
71.01382	19.8
72.99306	2.6
73.02945	2.4
75.00864	1.1
77.68671	0.4
81.03447	0.4
83.01388	2.8
83.05028	0.7
85.02950	7.6
87.00880	3.4
89.02448	16.0
92.45311	0.4
93.03461	0.8
95.01388	2.0
95.92782	0.3
97.02946	1.5
98.06730	0.3
99.00879	4.9
101.02448	12.6
108.02162	0.6
109.02967	6.0
111.00908	1.6
111.04507	0.5
112.98824	0.7
113.02456	9.8
113.99595	12.5
115.00394	6.3
119.03507	7.4
119.05042	1.0
121.02964	47.2
122.03325	1.2
123.04525	0.5
123.08235	0.4
125.02433	0.9
127.00397	2.6
129.01978	1.8
131.03481	1.0
133.02942	0.7
133.06590	0.9
135.04524	1.0
135.08145	0.8
137.02452	1.5
137.06068	0.5
139.00380	1.6
139.07625	0.5
141.01961	0.7
143.03554	0.7
145.02982	0.7
149.06102	1.0
150.06451	0.4
152.01079	0.6
153.01866	0.4
157.01453	2.4
160.04150	0.4
161.02446	2.1
161.04510	2.3
163.03993	1.1
165.04060	0.7
169.01404	1.3
173.06131	0.5
174.01697	14.9
175.02475	1.7
175.03873	0.5
175.07640	0.4
176.04723	0.4
177.09242	1.0
179.05589	0.9
187.07610	0.9
187.11252	1.3
195.05058	0.4
202.10048	1.3
204.11609	0.8
205.05078	0.5
205.08696	1.0
205.12366	3.4
217.12280	3.0
231.10201	0.5
235.06168	1.0
235.13374	2.2
249.11380	2.1
249.13380	2.4
253.92358	0.4
259.04550	1.4
261.11258	4.1
265.07089	0.4
275.09183	0.5
293.10281	1.1
294.89896	0.3
319.06653	0.9
330.13095	1.1
331.14026	0.4
379.17523	0.7
381.08289	10.0
381.17657	2.2
382.08710	0.9
397.18686	5.8
398.14685	0.6
398.19229	0.6
441.10367	100.0
441.17468	16.0
442.10675	12.2
442.17868	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	439.2855
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
57.03446	1.7
59.01374	0.6
61.76869	0.3
61.98820	1.1
64.65744	0.3
69.28468	0.4
69.28870	3.1
83.05009	1.1
84.37521	0.3
85.02954	0.3
96.95973	0.4
98.20695	0.8
123.08187	0.5
323.23776	0.4
347.27292	1.0
363.26883	0.9
365.28726	0.3
375.27048	1.2
377.28470	0.5
393.28055	0.4
395.29779	0.4
419.29379	0.4
439.28491	100.0
440.28845	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	440.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59663	0.2
52.30351	0.2
59.01377	22.6
60.01722	0.2
60.08353	0.2
61.98830	100.0
62.98533	0.2
69.46045	1.5
69.46468	0.5
71.01389	1.8
72.99326	0.2
73.02962	0.6
78.95914	0.2
81.47092	0.2
83.01411	0.2
85.02952	1.0
89.02455	0.5
94.34103	0.2
95.01400	0.3
98.19901	0.4
101.02439	1.6
113.02486	0.7
119.03529	0.3
145.03021	0.3
161.04547	0.5
184.91705	0.2
211.04369	0.2
255.80106	0.2
291.18085	2.7
293.17844	0.3
333.19296	0.7
381.98422	0.2
440.14859	0.2
441.19678	0.3
441.25473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27950	0.2
56.54533	0.2
59.01379	0.4
62.96393	0.2
63.54015	0.2
71.01379	0.4
71.55081	0.3
72.99282	0.2
78.95906	42.1
80.96331	0.8
89.02449	0.2
95.30384	0.2
96.96068	7.2
96.96967	100.0
98.95592	1.5
98.96458	0.4
98.96759	0.2
98.97406	3.2
101.02467	0.4
101.70289	0.2
133.01450	0.3
173.14540	0.2
181.07076	0.3
343.12485	1.7
441.09988	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	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03769	1.4
59.01376	99.0
60.01704	1.8
60.99302	1.5
61.45212	0.8
61.98831	16.6
65.00346	1.2
68.25068	0.9
71.01381	21.7
71.64643	1.5
72.01727	1.0
72.99331	1.2
73.02954	7.6
75.00892	1.2
81.03445	2.4
83.01382	3.0
85.02950	9.2
87.00887	1.5
88.98812	12.9
89.02447	7.6
90.91592	0.9
93.03473	3.5
95.01377	1.2
96.27071	0.9
96.96043	1.5
97.02956	1.4
99.00896	1.9
99.04527	86.2
100.04859	1.9
101.02453	26.4
101.06076	3.5
108.02183	1.6
109.02952	2.9
113.02461	7.6
117.03474	5.7
119.03524	1.5
119.05055	5.7
121.02970	9.2
123.04524	1.5
125.02463	44.0
125.06107	1.0
126.02772	1.6
129.09203	2.3
131.03563	1.0
131.05011	1.4
133.02953	1.6
133.06631	1.9
135.04494	2.3
135.89995	1.0
137.02454	6.6
143.03532	2.2
143.10806	6.5
144.11125	2.2
145.01878	1.5
145.02968	22.0
145.11317	1.5
147.04541	2.2
149.04684	1.0
149.06087	1.2
151.00311	1.4
159.02985	1.0
160.01634	2.1
161.02419	3.2
161.04596	11.8
161.05965	1.4
162.06802	1.4
162.92372	0.9
163.04077	4.8
173.04469	1.0
175.04012	2.7
177.01938	2.3
179.03596	1.1
185.11871	0.9
191.05611	1.8
203.05518	1.3
255.03024	1.0
268.74942	1.0
271.06055	2.5
277.18066	5.3
293.08643	1.0
314.73990	1.0
337.12906	1.9
364.66333	1.1
439.06915	4.3
439.15231	10.7
439.28375	2.1
440.16095	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	439.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01402	1.0
53.36827	1.1
53.51846	1.1
58.00581	1.6
59.01375	100.0
60.99563	1.1
61.98819	3.9
69.88680	5.2
70.47481	1.1
71.01386	65.3
72.99322	2.2
73.02950	8.2
75.00916	1.5
77.81296	1.1
79.63748	1.1
83.01393	4.2
85.02951	12.9
87.00881	3.4
88.98808	1.4
89.02450	89.2
90.02793	1.4
95.01389	2.4
99.00867	2.4
101.02456	38.0
102.02818	1.4
113.02465	21.8
119.03515	23.4
124.50734	1.2
125.02457	1.7
131.03519	12.3
143.03528	6.0
149.04568	30.2
161.04555	7.8
169.50700	1.2
179.05623	28.0
180.06018	1.7
191.05571	6.0
195.06688	1.6
247.11870	21.1
250.62067	1.2
290.89236	1.2
343.11755	1.2
379.16068	75.6
380.16351	7.4
433.79932	1.3
439.11957	2.3
439.17743	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05275	1.2
55.01870	1.5
57.03466	1.4
58.00593	2.1
59.01374	67.9
60.33896	1.1
61.98817	4.1
69.03465	1.4
69.92522	4.2
71.01381	45.8
72.99302	2.7
73.02949	13.8
75.00871	1.5
83.36141	1.2
85.02956	8.3
87.00891	2.9
89.02448	70.3
93.03471	1.7
95.01389	2.7
97.02985	3.5
99.00887	10.6
101.02447	29.6
108.02141	1.6
113.02459	14.8
119.03510	12.4
125.02443	4.5
131.03523	13.3
135.03018	1.3
135.42645	1.3
137.02458	2.2
143.03474	2.9
149.04561	34.1
150.03229	1.4
159.01488	1.2
161.04555	3.8
163.04037	1.4
177.09183	1.6
179.05621	5.7
191.05598	10.0
192.99634	1.6
221.11754	1.7
247.11864	3.8
251.07642	1.9
347.52307	1.2
379.16061	100.0
380.16473	12.8
439.10284	1.9
439.16370	13.8
440.16321	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03769	1.4
59.01376	99.0
60.01704	1.8
60.99302	1.5
61.45212	0.8
61.98831	16.6
65.00346	1.2
68.25068	0.9
71.01381	21.7
71.64643	1.5
72.01727	1.0
72.99331	1.2
73.02954	7.6
75.00892	1.2
81.03445	2.4
83.01382	3.0
85.02950	9.2
87.00887	1.5
88.98812	12.9
89.02447	7.6
90.91592	0.9
93.03473	3.5
95.01377	1.2
96.27071	0.9
96.96043	1.5
97.02956	1.4
99.00896	1.9
99.04527	86.2
100.04859	1.9
101.02453	26.4
101.06076	3.5
108.02183	1.6
109.02952	2.9
113.02461	7.6
117.03474	5.7
119.03524	1.5
119.05055	5.7
121.02970	9.2
123.04524	1.5
125.02463	44.0
125.06107	1.0
126.02772	1.6
129.09203	2.3
131.03563	1.0
131.05011	1.4
133.02953	1.6
133.06631	1.9
135.04494	2.3
135.89995	1.0
137.02454	6.6
143.03532	2.2
143.10806	6.5
144.11125	2.2
145.01878	1.5
145.02968	22.0
145.11317	1.5
147.04541	2.2
149.04684	1.0
149.06087	1.2
151.00311	1.4
159.02985	1.0
160.01634	2.1
161.02419	3.2
161.04596	11.8
161.05965	1.4
162.06802	1.4
162.92372	0.9
163.04077	4.8
173.04469	1.0
175.04012	2.7
177.01938	2.3
179.03596	1.1
185.11871	0.9
191.05611	1.8
203.05518	1.3
255.03024	1.0
268.74942	1.0
271.06055	2.5
277.18066	5.3
293.08643	1.0
314.73990	1.0
337.12906	1.9
364.66333	1.1
439.06915	4.3
439.15231	10.7
439.28375	2.1
440.16095	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	439.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93005	0.1
69.62349	0.6
69.62762	0.4
78.95906	40.2
79.95758	0.1
96.96071	6.9
96.96967	100.0
98.19990	0.3
130.01189	0.2
141.65045	0.1
174.17966	0.2
205.57455	0.1
212.65623	0.2
341.10938	0.2
403.43079	0.2
439.08530	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03428	1.2
59.01376	7.7
61.98829	9.3
69.54004	3.0
69.54414	1.1
71.01383	9.2
71.05033	0.9
72.99313	0.7
73.02953	2.7
75.00883	0.9
83.01393	1.7
83.05018	1.3
85.02950	4.5
87.00876	0.8
88.98824	1.0
89.02473	2.1
93.03458	1.8
95.01382	1.0
99.00874	1.2
99.04521	0.7
101.02453	4.6
101.06089	1.8
105.03463	1.0
109.02943	0.9
111.00937	0.7
113.02458	3.4
117.03465	1.1
119.05026	1.6
121.02962	3.6
123.00990	0.7
123.04532	0.8
125.02478	2.9
132.02185	18.4
132.03178	1.1
133.02995	6.8
134.03745	12.3
135.04555	3.1
137.02412	4.1
139.04005	0.7
145.02951	3.2
146.03282	0.6
147.04489	0.8
149.02650	0.7
149.06090	1.6
157.82922	0.6
160.01668	83.6
161.02434	9.9
161.04610	1.5
161.05989	1.2
161.07217	2.0
163.04008	1.1
168.00630	2.2
175.04004	100.0
176.04308	5.7
177.01944	1.3
177.04095	0.9
177.05502	0.9
178.02675	0.7
179.03487	2.5
193.05048	12.5
194.05429	0.6
257.08215	0.8
295.12921	0.9
344.07159	0.7
379.23361	1.3
424.13651	1.8
439.16049	90.1
440.16373	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	439.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73765	0.3
55.01864	0.9
57.03440	1.2
59.01130	0.4
59.01381	4.4
61.98833	2.3
69.03435	0.4
71.01383	7.2
71.05016	1.1
72.01739	0.2
72.99287	0.4
73.02937	2.2
73.06571	0.3
75.00862	0.4
83.01402	1.1
83.05031	1.1
85.02959	3.7
87.00880	0.6
88.98803	0.3
89.02450	1.4
93.03479	0.6
95.01383	0.8
95.05045	0.5
95.26651	0.3
97.02941	0.4
99.00882	0.8
99.04554	0.8
101.02451	4.0
101.06129	1.7
102.90090	0.2
104.02687	0.4
105.03452	1.1
108.02201	0.3
109.02978	0.4
112.04027	1.8
113.02460	2.8
113.04370	0.7
117.03455	1.0
119.05022	1.3
121.02974	3.4
122.03283	0.6
123.04546	0.5
125.02451	0.6
132.02188	18.2
133.02983	6.1
133.06534	0.3
134.03757	13.9
135.04581	1.5
136.04033	0.3
137.02434	2.3
137.04434	0.2
139.03970	0.4
145.03021	1.7
147.04535	0.9
149.06107	2.5
149.99553	0.3
151.03993	0.3
159.02992	0.5
160.01671	90.3
161.02151	5.4
161.04581	0.9
163.04019	0.8
168.00691	0.4
172.05269	0.7
173.09657	0.5
175.04015	100.0
176.00641	0.2
176.04366	5.0
177.01926	0.9
177.05600	0.6
178.02731	1.2
179.03520	1.5
181.07199	0.4
185.06145	0.3
187.07642	2.2
187.11331	0.8
187.16245	0.3
189.12840	3.4
193.05063	14.3
194.05374	0.6
199.07693	0.4
200.08342	0.5
215.07123	0.6
215.10738	2.6
221.04504	0.8
231.06619	2.2
233.11827	2.8
257.08270	0.6
259.09720	0.6
277.10870	0.9
281.06604	0.3
379.23486	0.4
395.13605	1.7
424.13959	1.3
439.16101	87.2
440.16452	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	438.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
61.98829	100.0
63.99264	0.2
69.76992	1.1
71.01393	0.5
71.24638	0.2
73.02956	0.3
73.52711	0.1
74.33255	0.1
75.00880	0.1
78.95888	0.3
84.94698	0.1
85.02937	0.2
89.02453	0.3
101.02461	0.3
102.36454	0.2
113.02512	0.2
117.03466	0.2
119.05053	0.3
123.00899	0.2
124.01691	0.2
125.02483	0.8
129.05595	0.3
131.05025	0.2
131.07239	0.2
133.06639	0.2
137.02461	0.3
140.63754	0.2
145.03004	1.3
147.04541	1.6
149.99567	0.2
152.99608	0.2
161.06097	1.2
163.04030	0.3
168.00682	0.5
189.05617	0.2
211.13402	0.3
223.82785	0.2
229.32286	0.2
241.76358	0.2
293.12436	0.2
343.07330	0.2
344.07462	0.3
439.16406	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	439.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53646	0.2
68.54677	0.2
69.68065	1.6
72.68188	0.2
77.43644	0.2
78.95906	41.4
79.95737	0.4
83.41998	0.2
96.96045	20.5
96.96966	100.0
98.19930	0.3
99.96786	0.2
112.54909	0.2
166.17056	0.2
215.66666	0.2
408.90936	0.2
439.08527	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36250	0.2
68.02089	0.2
70.36267	0.3
70.86063	0.4
70.86420	0.6
77.74012	0.2
78.95907	46.4
79.95716	0.6
80.62038	0.2
96.96021	33.8
96.96970	100.0
112.09973	0.2
113.36304	0.2
138.75560	0.2
167.78325	0.2
367.95703	0.2
439.08536	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	437.2699
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
51.56519	0.4
53.55073	0.4
59.01378	1.4
61.98856	2.0
69.39673	3.7
85.34487	0.4
85.72793	0.4
91.38270	0.4
98.19834	0.4
98.36536	0.5
108.82035	0.4
129.76509	0.4
134.10777	0.4
191.10788	0.6
399.40866	0.5
437.26944	100.0
438.27313	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	438.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74638	0.2
59.01372	1.6
61.98830	100.0
70.11005	0.7
71.01391	1.1
71.49394	0.2
72.64464	0.2
72.99323	0.2
73.02926	0.2
74.99105	0.7
78.06094	0.2
78.95907	12.0
79.95737	0.2
85.02935	0.4
87.00890	0.3
89.01081	0.2
89.02454	0.8
93.03481	0.3
95.01416	0.2
96.96041	7.3
96.96970	28.3
101.02454	0.4
113.02429	0.4
115.00353	0.2
116.92850	0.2
125.02451	0.3
125.45353	0.2
137.02461	0.6
147.03102	0.2
151.42213	0.2
161.02551	0.3
163.04030	0.2
190.97658	0.2
262.75272	0.2
288.65530	0.2
359.47943	0.2
403.12256	0.7
439.08139	0.6
439.13678	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20660	0.7
55.01868	2.2
57.03446	65.7
58.03778	1.4
59.01376	79.6
60.01686	0.9
61.98830	8.3
63.99231	1.1
69.03445	1.2
71.01382	31.9
72.99304	1.0
73.02947	10.9
75.00896	0.9
81.03458	3.6
83.01385	5.2
85.02952	16.5
87.00871	1.7
89.02448	3.3
93.03465	1.3
95.01366	2.3
97.02943	2.5
98.20674	1.7
99.00879	4.8
99.04524	100.0
100.04863	2.4
101.02451	29.4
109.02934	1.8
110.47675	0.8
112.04041	2.3
113.02451	16.2
116.05064	0.9
119.03460	1.0
119.05028	2.8
121.02976	4.0
125.02457	60.4
126.02783	2.0
127.04082	0.8
131.03667	1.3
135.04509	2.5
137.02452	1.0
143.03484	4.2
144.04535	1.3
145.02946	1.8
145.05049	1.4
147.03369	1.5
147.04536	27.9
148.04861	1.6
155.07143	1.0
156.04561	1.1
157.05319	1.2
158.06128	6.9
159.02989	3.5
161.02518	1.3
161.04567	34.6
161.05882	1.1
163.03972	1.0
186.05624	1.7
188.05626	8.3
188.08043	1.2
189.05609	3.2
189.12724	1.4
201.05569	1.0
215.10930	0.9
230.06676	1.4
233.11768	1.6
258.08508	1.3
276.08798	10.9
277.16544	7.4
294.09796	3.3
336.10895	5.0
376.13461	0.9
394.15152	1.4
438.14450	1.0
439.16025	2.4
439.21658	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
59.01378	34.7
61.98523	3.1
61.98829	50.3
67.14108	1.2
68.55095	1.3
71.01386	26.8
71.05023	3.4
72.99304	3.9
73.02946	10.4
75.00866	5.3
75.68803	1.3
78.95913	2.0
83.01375	2.9
83.05056	1.7
85.02964	11.6
87.00867	5.1
88.98811	3.3
89.02454	13.5
93.03457	4.5
97.02965	2.7
97.06605	3.3
99.00872	4.5
99.04517	1.9
101.02456	16.0
109.02991	2.4
109.06613	2.1
111.00891	2.0
113.02464	11.3
115.92065	3.1
116.92862	2.5
119.01753	1.3
119.03514	3.4
123.08192	2.0
125.02451	4.5
125.06074	1.8
127.07623	4.2
129.01990	3.0
130.17136	1.5
137.02444	9.1
141.00226	1.7
141.05594	2.0
143.03491	2.8
146.08224	8.3
151.07637	2.3
153.05573	1.6
159.03012	3.2
161.04572	16.1
163.04036	2.6
163.07666	1.8
165.01895	3.2
167.03503	1.4
177.04048	11.6
179.05574	3.6
179.10802	2.3
185.08165	6.2
195.05043	2.9
195.06639	2.1
197.11836	1.8
203.10768	12.0
203.12675	2.6
215.12912	1.6
217.04842	1.6
221.11830	30.7
229.37506	1.6
259.11795	7.5
280.41132	1.5
281.06699	1.7
344.15616	1.4
365.18213	9.2
366.18274	1.4
377.18301	3.2
383.16998	4.5
384.17883	2.0
393.08362	3.4
393.17563	1.9
401.18039	5.7
419.15543	4.3
437.16055	100.0
438.16483	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	437.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41473	0.4
55.01862	0.7
55.39148	0.4
55.50736	0.4
57.03445	1.0
59.01377	13.0
61.98827	7.2
63.22798	0.4
67.01891	10.3
69.03460	1.3
69.56527	2.6
71.00999	0.7
71.01385	12.7
72.99303	1.9
73.02951	6.2
74.02493	0.5
75.00880	1.9
78.95896	1.1
81.03433	0.5
83.01393	1.4
85.02953	4.9
87.00882	1.8
88.98814	1.4
89.02454	7.7
93.03474	0.6
95.01385	0.8
96.96038	1.0
96.96961	0.9
97.02960	3.4
99.00887	1.5
99.92580	0.9
101.02457	10.3
109.02967	1.0
111.00893	100.0
112.01203	2.6
113.02475	4.5
115.04018	1.4
115.92110	2.1
116.92871	4.1
117.05577	0.7
117.92850	0.7
118.39453	0.5
119.03535	2.8
119.05021	1.1
121.02945	0.8
123.04487	0.8
125.02463	18.5
126.02831	0.6
127.07664	0.5
129.01993	0.6
129.05676	0.5
131.03508	1.1
137.02464	2.2
143.03517	0.6
149.00682	4.2
149.02492	0.8
150.00972	0.6
151.00293	0.5
151.02231	0.7
151.04019	0.9
153.01924	3.4
159.03091	0.5
161.04565	3.3
163.00369	0.5
163.04059	1.0
163.06133	4.1
165.01974	1.7
167.03462	0.6
177.02019	0.9
177.04033	1.1
179.03506	0.5
179.05634	1.1
181.07185	13.5
182.07567	0.5
192.99638	6.1
193.99962	0.7
194.99290	1.0
195.01164	0.8
197.04634	1.4
203.08301	0.7
205.07101	1.2
213.04044	2.2
215.12886	0.7
236.98659	1.7
273.06122	1.4
275.05676	0.9
275.11566	0.6
325.11404	12.4
326.11792	1.1
347.07718	1.5
357.00729	0.7
377.10989	1.2
377.18292	0.9
392.75641	0.5
399.04062	2.7
400.04730	0.5
401.04721	0.7
437.07196	0.9
437.12451	12.4
437.17996	0.9
438.13425	0.7
438.17252	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11678	0.4
56.59002	0.4
59.01371	4.7
61.98827	100.0
69.42740	3.8
71.01380	0.8
83.01410	0.5
84.36620	0.4
89.56055	0.4
93.03495	0.5
109.03007	0.5
121.02982	0.5
123.04478	0.5
125.02490	1.1
137.02452	0.7
151.00371	1.5
152.00795	0.7
169.01511	0.9
211.07288	0.5
250.52263	0.5
301.03293	0.8
302.03732	1.0
303.03821	1.1
304.04092	0.6
316.09180	1.4
336.51227	0.5
436.09436	4.4
436.19162	0.8
437.20370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44724	9.6
53.97573	8.9
56.37973	10.1
59.01382	29.7
59.16235	10.7
61.98825	53.5
62.97699	9.3
69.40953	96.2
69.41357	20.6
71.01390	27.4
73.02955	11.8
85.02962	12.0
95.31673	9.8
96.86545	9.5
99.00845	14.1
101.02432	23.0
108.35207	10.6
137.02412	18.9
139.20457	9.9
195.43810	11.2
246.30258	11.3
269.10266	16.1
377.18225	11.6
401.14468	96.0
437.12097	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	437.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78152	0.3
55.01865	0.4
56.98024	0.9
57.03439	0.9
58.00586	0.5
59.01376	14.2
60.99296	0.3
61.98827	4.5
67.01891	13.1
69.03455	1.4
70.47388	1.0
71.01385	14.1
71.05015	1.1
72.99323	1.3
73.02951	3.5
73.98289	0.4
75.00871	1.3
78.95898	0.9
81.03441	0.5
83.01394	1.5
85.01199	0.5
85.02958	5.8
87.00896	1.5
87.04519	0.7
88.04046	5.0
88.98809	1.4
89.02451	8.5
89.03003	0.5
93.03461	0.8
95.01403	0.8
96.96015	1.3
96.96964	0.7
97.02964	3.6
99.00884	1.1
99.04529	0.6
101.02451	13.4
103.03992	0.3
107.00809	0.3
109.01173	0.4
109.02965	1.3
111.00893	100.0
112.01234	3.5
113.00700	1.2
113.02452	5.7
113.06168	0.3
115.00373	0.5
115.04013	0.8
115.92100	1.4
116.92856	1.5
117.05616	1.5
119.03537	2.7
119.05031	0.4
121.02969	0.5
123.02776	0.7
123.04582	0.8
125.02462	15.5
125.06083	0.5
129.01985	0.5
130.94508	0.4
131.03517	0.6
137.02470	1.3
139.04071	0.3
141.03825	1.5
143.03523	0.7
145.05084	1.6
146.08238	2.1
149.02469	0.8
151.04022	0.5
153.01924	2.2
153.09216	0.4
155.01755	1.6
157.05089	0.5
159.02963	0.4
161.04594	2.9
163.03998	0.8
163.06136	7.2
165.01941	0.8
167.03468	0.6
174.01733	0.6
177.02002	0.5
177.03995	0.8
178.02657	0.4
179.05644	1.4
181.07190	8.2
183.03032	0.6
185.02780	4.7
185.08214	0.4
191.05475	0.4
195.05087	0.4
197.04547	0.8
198.40781	0.3
199.00786	0.9
205.07169	5.1
213.04016	0.9
218.10329	6.2
219.10609	0.4
229.01738	3.5
259.11792	0.5
273.06232	0.4
275.05688	0.9
308.65543	0.4
325.11392	29.2
326.11832	1.9
377.18277	0.9
393.08588	5.2
393.17630	0.3
394.09195	0.6
412.31818	0.3
437.07837	2.1
437.12488	5.2
438.17276	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2388
Annotation	Melissoidesin E
Peak:m/z	Relative Intensity
57.03449	2.3
59.01377	16.0
60.99310	1.4
61.98832	7.1
65.99626	1.1
71.01383	4.0
71.59064	1.4
73.02958	5.8
78.95897	1.4
83.04995	1.1
87.82473	1.0
96.96006	1.2
109.02982	1.5
116.64864	1.1
121.36375	1.3
125.02483	2.4
145.03012	1.0
149.99594	1.9
168.00662	1.9
189.02017	1.3
257.19177	2.5
274.01794	1.3
276.50623	1.2
294.20502	1.1
295.20642	2.6
299.11627	1.2
309.11478	1.1
313.18103	1.9
313.21689	25.0
313.25125	1.8
314.22076	4.0
329.21335	1.5
331.19110	5.8
331.22885	11.1
341.06546	1.9
357.20636	4.5
375.21771	100.0
376.22046	10.9
391.21280	2.0
393.22769	1.9
435.09668	5.6
435.23965	53.0
436.09433	1.2
436.24301	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2388
Annotation	Lihsienin A
Peak:m/z	Relative Intensity
57.03441	1.1
58.75666	0.6
59.01377	45.9
60.01694	0.8
60.93976	0.5
60.99301	0.7
61.98824	9.1
67.04706	0.5
71.01378	1.6
71.63919	1.1
72.99306	0.8
73.02947	6.8
78.95893	0.6
83.01410	0.6
85.02975	0.8
96.96024	0.8
101.02440	2.2
107.01363	0.7
109.03008	0.7
119.05037	1.4
123.04471	0.8
124.01644	1.2
125.02459	2.9
137.02435	1.1
143.10791	0.8
145.02948	1.4
149.99605	1.1
151.00377	1.7
160.10176	0.6
163.36708	0.5
168.00627	2.2
178.02328	0.6
189.01898	1.5
199.11346	0.7
201.12866	8.5
203.14427	0.6
217.01364	0.7
217.15979	1.6
219.02963	0.6
263.12787	3.3
271.06143	2.3
273.06665	0.6
283.17023	1.0
285.22195	6.2
287.16565	3.0
301.18094	5.9
302.18564	0.8
303.19669	0.8
315.19678	1.5
319.18866	1.0
331.22809	1.1
333.20621	2.1
338.06393	0.7
339.90973	0.6
341.06595	1.0
347.18588	3.5
347.22278	38.0
348.22623	5.0
357.20688	4.9
361.20123	6.0
375.21725	14.4
376.22079	1.7
389.23358	0.8
390.23840	2.6
394.19986	1.6
417.22827	4.1
418.23148	1.2
422.23050	1.9
435.09851	7.0
435.23859	100.0
436.09888	0.9
436.24207	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	436.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01376	4.6
61.98572	0.5
61.98830	5.9
62.50017	0.4
65.16852	0.5
68.26451	0.5
69.03468	2.9
71.01373	2.4
71.61649	0.9
73.02959	0.7
75.00875	1.3
81.03445	1.4
83.01373	1.2
85.02951	2.5
87.00887	1.2
89.02447	0.8
90.15504	0.5
93.03458	1.4
95.01392	1.3
97.02948	2.6
97.35120	0.5
99.92606	0.5
101.02464	1.4
107.01392	1.4
108.02189	1.9
113.02448	1.1
115.92082	1.9
116.92911	0.9
119.03463	0.5
119.05054	0.9
121.02977	0.6
122.02500	11.1
123.00891	7.5
123.02831	0.7
123.04527	1.4
124.01671	15.9
125.02464	43.7
126.02807	1.9
129.01981	0.5
135.04492	0.9
137.02446	6.8
138.02831	0.9
138.05658	0.6
145.02957	1.5
146.03293	0.6
149.02461	0.6
149.99599	26.9
151.00389	4.7
151.03998	1.1
152.00854	2.0
153.01851	1.0
153.05586	0.7
154.02345	0.6
161.04559	0.5
163.03975	0.8
163.66579	0.5
165.01929	0.9
166.02664	0.6
167.03490	1.2
168.00656	50.1
169.01421	6.2
177.03960	0.6
179.03488	1.3
185.56104	0.5
191.05565	0.7
229.05019	0.6
232.90997	0.6
269.06573	0.6
274.08270	0.9
313.05658	5.4
314.06216	0.6
357.00693	1.7
373.10269	0.6
377.17816	0.8
399.12915	0.7
400.13336	1.1
418.07541	3.3
436.08853	100.0
437.09229	10.5
437.15555	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	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00010	0.8
50.97284	0.7
56.21088	0.8
58.00599	2.1
59.01380	7.4
61.98840	2.1
70.10700	3.2
71.01378	4.9
72.99310	1.1
73.02965	2.3
75.00890	2.5
78.95934	1.3
85.02960	2.2
87.00887	4.5
88.98812	1.4
89.02453	1.9
96.96045	3.9
96.96982	2.4
98.20632	0.8
99.00865	0.9
101.02464	2.4
105.01980	0.7
106.15772	0.8
111.00921	1.7
113.02479	2.9
119.05057	1.6
121.02967	2.0
122.03746	1.0
123.04498	0.7
128.71684	0.9
137.02480	1.4
145.02934	3.0
146.03703	0.9
149.01248	1.8
149.02457	31.8
150.03249	44.3
151.03601	1.3
156.77879	0.7
157.21909	0.7
161.02451	3.3
161.04562	5.9
162.03253	3.4
163.04053	3.9
164.04814	17.4
165.05582	100.0
165.27365	0.8
166.05968	5.7
173.15300	0.7
177.05588	2.5
180.04326	4.9
184.07576	0.8
191.05725	0.9
195.06633	32.9
196.06955	1.6
208.19487	0.7
270.80072	0.8
271.30463	0.8
274.28766	0.9
327.10864	34.0
328.11218	2.7
337.09421	1.7
339.10974	0.8
357.11896	1.5
435.14539	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63651	0.4
55.01880	0.8
57.03449	0.9
59.01376	12.0
61.98829	5.8
69.57443	3.1
71.01384	7.9
72.99302	0.5
73.02946	3.5
75.00871	1.0
77.13412	0.4
78.95937	0.3
83.01388	1.1
85.02956	4.3
87.00906	0.7
87.04514	0.9
89.02442	3.3
91.04021	1.8
93.03457	1.3
95.01416	0.6
97.03009	0.6
99.00877	0.8
101.02454	5.7
104.08612	0.4
107.05042	0.7
109.02972	0.9
113.02454	2.8
119.03514	0.6
119.05007	0.5
121.02968	0.6
123.04534	0.6
125.02465	1.0
135.08162	3.6
137.02452	1.1
137.09732	11.1
138.10034	0.7
145.02953	0.9
151.00282	0.5
151.04012	0.5
155.10788	76.7
156.11105	4.3
159.02983	0.4
161.04558	2.1
165.05620	0.5
169.01465	0.4
169.12376	0.4
177.01909	0.6
179.10902	0.4
181.08711	3.1
185.11847	1.2
189.01918	0.9
189.05609	1.6
195.10312	1.1
199.09758	17.0
200.10118	0.7
213.11345	0.7
217.01408	0.7
241.10873	0.7
253.09277	1.3
255.02916	0.8
257.03436	0.6
265.07001	0.4
271.02597	0.8
271.06131	0.7
272.02759	0.5
273.03174	1.6
273.06653	0.6
273.11371	1.3
300.02753	0.8
301.03268	1.1
302.03192	2.3
303.04074	1.0
341.06561	2.6
371.40192	0.4
391.13019	0.8
435.08820	3.7
435.18668	100.0
436.09909	0.8
436.19067	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	435.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.8
58.94063	0.4
59.01377	15.3
61.98820	0.9
65.69983	0.4
67.01902	0.7
68.99820	1.2
69.03454	2.3
69.27828	3.7
69.28236	1.0
71.01380	13.2
72.32980	0.4
72.99313	4.1
73.02965	2.1
75.00875	14.3
78.95920	0.4
81.03502	0.6
83.01403	0.9
85.02956	15.1
87.00878	4.9
89.02439	4.1
93.03465	3.5
94.50654	0.5
95.01402	3.6
99.00887	6.8
101.02462	2.4
103.00401	1.5
108.02161	0.8
109.02972	1.3
111.00903	0.6
113.02464	16.8
113.09736	3.7
115.00379	1.2
115.07664	1.9
117.01940	2.4
121.02060	0.4
123.04537	5.8
125.02505	0.6
125.09756	1.2
127.07655	1.0
129.01974	1.8
135.04530	0.7
137.02440	4.3
141.12804	0.5
144.55769	0.4
145.92209	0.4
153.01889	0.5
153.05611	4.6
157.01498	0.9
157.08711	0.4
161.04587	0.8
166.80646	0.4
175.02496	1.9
179.03503	0.6
185.11833	77.5
186.12173	4.4
187.45276	0.5
191.05574	0.8
198.30205	0.4
203.01056	0.5
225.05707	0.4
230.81924	0.4
231.05037	2.3
243.12444	0.8
249.06129	15.0
250.06482	0.7
267.07162	1.5
281.06671	6.3
282.06805	0.8
301.93307	0.5
341.06714	0.5
375.16217	0.4
375.20493	0.6
417.17654	2.0
430.71133	0.4
435.18646	100.0
436.13397	0.6
436.19012	11.5
438.86374	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55039	0.6
58.00578	1.2
58.57136	0.6
59.01376	100.0
60.01716	1.5
61.98825	7.2
70.18887	2.7
71.01385	10.8
72.99308	1.5
73.02945	1.5
75.00870	1.1
75.08720	0.7
78.95930	2.6
83.01405	1.0
85.02969	2.8
87.00889	3.0
87.33772	0.7
88.78825	0.7
89.02446	13.6
93.03476	1.0
95.27354	0.6
96.96033	1.6
96.96974	3.4
101.02447	5.9
111.02030	1.4
112.98691	0.6
113.02498	5.1
117.01955	1.0
117.03493	1.4
119.03526	5.5
119.05006	1.0
121.03027	0.9
125.02544	1.7
133.01468	1.7
137.02498	2.9
143.03557	1.5
143.97868	0.6
145.02966	7.2
146.03783	1.3
147.04576	1.3
149.02496	2.0
150.03244	3.7
157.03625	0.7
161.02466	5.9
161.04611	1.6
162.03232	9.8
163.03993	2.6
164.04764	1.1
165.01976	8.5
165.05583	8.9
168.99826	0.9
175.02516	2.0
177.04155	1.3
177.05547	5.5
179.05663	5.0
180.04298	10.9
191.05659	1.8
195.01595	0.9
195.06624	11.4
201.00475	1.2
211.96550	0.7
213.07698	11.1
219.01486	2.2
220.01657	0.9
271.05911	0.7
273.04691	3.4
273.07343	0.8
283.95496	0.7
295.10413	1.1
327.10815	1.5
355.89627	0.7
357.11926	5.0
375.05768	3.5
375.13016	1.7
393.06635	1.3
435.08313	2.9
435.14377	2.6
438.52679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52847	0.6
58.00597	1.1
59.01375	100.0
60.01712	0.8
61.96427	0.6
61.98826	10.9
69.83324	1.6
69.83733	2.4
71.01381	12.3
72.99313	1.6
73.02958	2.1
75.00867	1.7
78.95892	3.4
84.70468	0.7
85.02964	2.4
87.00874	3.2
89.02440	15.5
93.03500	1.0
96.96017	1.7
96.96976	4.1
98.20591	0.7
101.02450	6.1
103.43234	0.6
108.95107	0.6
109.02985	1.0
111.02032	1.8
113.02484	5.7
115.00413	1.2
117.01985	2.2
117.03498	1.8
119.03521	6.8
119.05025	1.1
121.02989	0.9
123.04548	1.3
125.02468	1.3
131.03542	0.7
133.01488	1.8
134.01944	0.8
135.04546	0.9
137.02519	1.8
138.02826	0.9
143.03539	1.6
145.02963	7.7
146.03749	1.9
147.04553	1.6
149.02429	2.2
149.04538	1.0
150.03250	4.7
161.02443	9.7
161.04622	2.8
162.03235	10.1
163.04044	2.5
164.04868	1.2
165.01936	10.0
165.05566	10.3
169.00003	0.9
171.07907	0.7
175.02629	1.2
177.05573	7.7
179.05618	7.2
180.04301	11.1
181.04662	1.0
191.05698	2.6
195.04863	0.9
195.06621	14.0
195.08322	1.2
201.00392	1.6
213.07663	10.5
214.08020	0.8
219.01561	2.6
243.01537	0.8
273.04694	4.3
273.07419	0.7
274.05035	0.8
327.10910	1.4
337.08548	0.8
357.11923	6.5
375.05624	3.2
375.12964	1.4
376.06094	0.7
393.06854	1.0
435.08203	2.0
435.14191	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	435.13
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
51.66201	0.6
59.01371	9.2
59.38846	0.6
61.98824	8.1
69.03443	2.8
69.37134	1.4
69.37535	6.1
71.01369	3.2
72.38368	0.8
75.00905	0.9
81.03449	0.8
83.01403	2.3
85.02957	1.9
89.02438	1.2
93.03497	3.2
95.01418	1.3
97.02977	2.5
98.19917	1.2
101.02443	2.0
107.01404	1.8
107.05038	58.7
108.02187	2.7
108.05383	1.8
109.02989	3.9
113.02493	1.2
116.53574	0.6
119.05052	1.2
121.02969	30.3
122.03760	39.2
123.00913	6.4
123.04052	0.8
124.00774	0.8
124.01672	18.9
125.02460	46.5
133.02962	0.8
135.04492	0.8
136.01672	1.3
137.02463	9.5
137.99628	0.8
145.02963	1.2
147.04572	1.1
149.98373	1.5
149.99596	28.5
150.03209	4.2
151.00354	3.2
151.04031	4.2
152.01176	1.4
153.01953	23.0
154.02742	3.4
155.10823	1.0
161.04599	0.7
163.04001	1.1
165.02011	0.8
167.03481	1.7
168.00655	52.1
168.04198	3.3
169.01321	4.0
177.01979	0.8
182.02228	3.8
189.01910	0.8
191.05705	0.9
194.99594	0.7
196.93279	0.8
213.05550	0.9
217.01459	0.7
225.62051	0.7
229.08688	83.7
230.09000	6.8
241.08609	0.8
244.07445	2.6
255.06630	1.7
271.02286	0.9
272.06659	0.8
273.07669	61.6
274.07880	4.1
283.02460	1.9
285.03973	2.2
299.07803	5.0
313.05646	2.0
315.08685	1.7
341.06772	1.6
417.08618	3.7
435.08582	44.7
435.12955	100.0
435.25586	2.7
436.08682	4.1
436.14169	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	435.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51239	0.3
57.22292	0.2
59.01368	0.9
61.98819	0.8
69.81428	0.2
69.84203	0.2
69.84518	1.7
71.01404	0.3
75.33939	0.2
83.01369	0.3
89.03951	0.6
91.01890	0.6
93.03465	10.5
94.03783	0.3
95.05025	1.6
98.06438	0.2
103.05573	0.5
105.03485	0.6
105.41076	0.3
108.02202	0.6
109.02963	17.2
110.03291	0.6
117.03481	2.4
119.05075	1.5
121.02989	1.4
122.03769	0.5
123.04531	15.1
124.01663	0.4
124.04856	0.6
125.02433	1.6
131.61452	0.2
133.02963	2.7
137.02457	0.6
145.01862	0.5
145.02966	9.1
145.04118	0.5
146.03462	0.3
147.04552	3.9
147.38857	0.2
149.02444	0.9
149.99615	0.3
150.03250	1.3
151.04018	7.8
159.04535	1.7
161.02470	1.8
161.06050	0.6
162.03177	0.8
163.03986	0.7
164.96771	0.3
168.00648	0.8
173.02451	0.3
175.03990	0.9
176.01154	1.0
177.01932	25.9
178.02280	1.5
179.03616	0.3
187.04019	1.8
188.04742	0.6
189.01935	52.2
190.02669	12.4
191.03494	12.4
192.03767	0.6
201.02023	0.3
203.03499	6.6
203.07072	0.6
205.05038	0.5
211.04010	0.3
211.07651	0.3
213.05702	0.3
216.00626	8.9
217.01405	38.1
218.01939	3.3
219.02971	14.2
220.03268	0.9
227.07138	0.5
229.05075	0.7
231.02966	11.8
232.03589	1.5
233.04485	1.5
241.05061	1.5
243.06847	0.3
245.08124	0.6
255.06790	0.5
264.04370	0.3
268.03778	0.3
269.04532	1.1
271.06049	3.1
272.06464	0.3
281.04578	2.1
282.05270	0.3
283.06128	2.4
289.07199	3.9
290.07529	0.5
297.07584	1.5
305.04611	0.3
311.05560	5.0
312.06116	0.3
323.05527	2.0
325.07089	0.7
341.06650	100.0
342.06989	11.5
435.10806	43.3
435.24109	0.3
435.26276	0.3
436.11148	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	435.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23341	0.5
53.56760	0.5
57.03456	1.2
58.00584	0.7
59.01093	1.0
59.01379	16.4
61.98831	2.5
64.51700	0.5
68.99810	0.8
69.03468	0.7
69.46074	4.6
70.19286	0.5
71.01385	15.7
71.05029	0.6
71.81943	0.5
72.99318	1.9
73.02940	2.3
75.00865	5.2
81.03487	0.7
83.01400	1.6
85.02959	9.6
87.00875	3.5
88.98827	0.8
89.02455	4.3
93.03465	22.7
94.03783	0.9
95.01418	2.5
95.05054	1.2
96.99326	0.8
99.00887	4.3
99.08177	3.7
101.02454	9.5
103.00388	0.5
108.02177	1.3
109.02977	1.9
113.02459	10.0
115.00374	0.6
117.01963	0.9
119.03510	1.2
121.02956	1.4
122.03770	0.5
123.04538	79.2
124.04889	2.5
125.02512	1.1
130.78218	0.5
135.04526	3.8
136.01654	2.8
137.02458	54.9
138.02800	1.9
139.11325	0.9
141.12857	0.7
145.02986	0.5
147.04565	0.6
151.04015	1.1
152.01126	1.3
153.01965	1.4
153.05589	63.6
154.05919	2.6
155.10782	1.4
161.04581	1.1
163.04047	0.5
167.10756	0.6
173.04614	0.5
179.03531	3.6
183.10229	0.6
185.11838	21.9
185.13467	1.2
186.12164	0.9
189.05452	0.6
191.05603	0.9
199.13426	1.2
209.04553	1.2
221.04469	0.6
229.18112	0.5
232.90424	0.5
239.05603	1.0
243.12407	2.8
245.08530	0.5
249.06123	6.1
259.06137	0.6
261.06628	1.4
281.06659	100.0
282.07007	7.5
297.09943	0.8
315.10770	3.0
375.20163	0.7
387.14569	1.2
435.12878	17.1
435.18695	34.5
436.13232	2.4
436.19019	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	435.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59211	0.3
59.01297	12.2
59.01631	1.7
59.65506	0.3
60.01665	0.3
60.50637	0.2
61.98748	9.3
61.99107	1.1
62.61202	0.3
65.03885	0.3
69.24455	0.9
69.24876	2.1
71.01295	1.0
73.02898	0.3
74.83431	0.3
83.01325	0.6
85.02856	0.9
88.98668	0.4
89.02371	0.9
89.03824	0.4
93.03463	7.0
95.01336	0.4
95.05031	1.3
97.02884	0.7
98.19820	0.4
101.02345	0.9
103.03943	0.7
105.03371	0.4
108.02097	0.7
109.02959	16.4
109.40868	0.3
110.03217	0.5
113.02378	0.6
117.03498	1.6
119.03442	0.4
119.05042	2.9
120.05357	0.3
121.02946	1.3
122.03675	0.3
123.00867	0.3
123.04536	12.8
124.01572	0.8
125.02467	4.2
133.02982	2.3
134.03632	0.4
135.00775	0.3
137.02373	1.3
143.04970	0.5
145.02972	7.1
147.04530	2.7
148.01630	0.3
149.02470	2.0
149.99614	1.4
150.03139	0.8
151.00352	0.3
151.04013	7.5
153.01944	0.3
159.04547	1.7
161.02475	1.8
161.04710	0.3
161.06030	1.4
161.25133	0.3
162.03217	1.6
163.03880	1.0
165.01878	0.4
168.00656	2.8
169.01332	0.3
173.02304	0.9
175.03996	0.5
176.01082	1.1
176.04626	0.4
177.01938	23.2
178.02187	1.2
179.03503	0.3
183.13927	1.8
185.06082	0.6
187.04027	3.1
188.04793	1.9
189.01939	27.4
189.05481	1.0
190.02715	8.0
191.02058	0.4
191.03500	5.1
192.03740	0.3
195.13887	1.5
201.01804	0.5
201.05553	0.4
202.06255	0.3
203.03534	3.0
203.07024	0.9
204.03873	0.3
205.05006	0.5
208.16454	0.3
211.07536	0.3
213.05536	0.6
213.14954	20.0
214.15106	1.0
216.00656	6.2
217.01410	18.8
218.01993	2.5
219.00916	0.6
219.02968	8.9
220.03275	0.8
222.01625	0.7
225.05467	0.5
227.07059	1.7
229.05057	2.5
229.08667	1.8
231.02988	7.1
232.03558	1.2
233.04356	0.6
237.05522	0.4
241.04935	1.0
243.06493	0.3
245.08134	1.1
253.04941	0.5
254.05757	0.3
255.06477	1.2
258.91522	0.3
263.07419	0.6
264.04083	0.4
265.04913	0.5
269.04507	0.8
269.07983	0.4
271.06094	7.0
272.06216	0.5
273.20645	0.6
279.06561	0.6
281.04553	8.7
282.04984	1.5
283.06027	2.5
289.07220	5.1
290.07513	0.4
295.06223	0.4
297.04510	0.4
297.07669	4.6
298.07913	0.4
311.05627	2.8
323.05594	1.3
324.34167	0.3
325.07449	0.3
341.06653	100.0
342.06982	9.4
342.10684	0.3
393.09607	0.5
435.10739	22.9
435.26196	1.6
436.11099	3.5
436.19736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0932
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
55.01861	0.4
57.03428	0.7
59.01374	4.1
63.98021	0.3
68.99836	0.5
69.03432	0.4
69.29631	1.1
69.30058	2.1
70.84554	0.3
71.01382	5.3
72.99329	0.4
73.02953	2.1
73.41595	0.4
75.00875	0.9
81.03447	1.2
83.01374	0.9
85.02948	4.4
87.00863	0.6
89.02453	1.7
93.03460	13.4
94.03787	0.6
95.01376	1.9
96.99305	0.6
99.00884	1.3
101.02448	3.6
108.02177	48.0
109.02969	34.8
110.03300	1.3
113.02452	2.7
119.03560	0.4
121.02957	1.1
123.00881	1.1
123.04523	0.8
135.00841	0.5
136.01688	1.4
137.02452	21.7
138.02791	0.9
151.03969	1.0
152.01158	60.8
153.01950	27.7
154.02289	1.2
161.04521	0.4
163.03973	1.1
164.57930	0.3
165.02008	0.6
177.05626	0.4
179.03491	0.7
185.11806	2.7
209.04463	0.4
215.18652	0.3
227.69453	0.3
281.06656	4.9
282.06665	0.4
315.07202	10.6
316.07614	0.8
391.10220	1.5
435.09277	100.0
435.18851	4.3
435.25723	1.5
436.09665	13.1
436.18930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0932
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
56.89979	0.4
57.03445	6.9
59.01378	12.3
60.01720	0.9
61.98830	10.1
63.02405	1.0
65.00323	8.9
67.48871	0.3
69.03454	0.6
71.01385	3.8
71.41339	0.7
71.75787	0.3
72.99298	0.4
73.02927	0.4
75.00888	0.9
78.57018	0.3
81.03459	3.3
83.01391	18.3
85.02962	1.7
87.00896	0.8
89.02433	2.1
90.55759	0.3
91.01894	0.6
93.03475	1.3
95.01405	0.5
97.02944	2.2
101.02454	1.6
107.01404	15.8
108.01698	0.5
109.02956	3.0
110.02535	0.4
111.04559	0.4
113.02467	1.6
119.03493	0.4
121.02958	4.0
123.00871	1.0
123.04522	0.8
123.19887	0.4
124.01652	2.7
125.02458	50.3
126.02801	1.2
131.01384	1.1
131.64441	0.3
132.04552	0.5
135.00912	1.0
135.04533	0.5
137.02438	2.2
139.04002	1.1
145.02979	1.0
147.79863	0.3
149.02486	2.0
149.99600	1.1
151.00383	77.9
152.00725	2.8
152.07187	0.4
153.01933	3.2
155.10812	1.9
161.04567	0.8
163.00327	0.5
163.04037	0.5
164.01172	0.5
165.01955	1.4
167.03564	2.4
168.00653	4.3
169.01440	31.0
170.01787	1.3
173.04605	0.6
175.00380	5.6
177.01988	0.9
179.03487	0.7
179.05658	0.5
185.11845	0.4
189.01981	1.0
189.05595	1.2
191.03510	0.5
191.05513	0.6
193.01427	5.2
199.09805	0.6
205.01422	0.6
211.02579	1.6
217.01457	0.7
219.03029	0.5
223.02502	0.8
231.03032	0.5
247.51959	0.3
255.02901	0.6
257.03647	0.4
271.02585	0.5
273.02982	0.7
300.02582	0.5
301.03339	1.1
302.03543	1.6
303.04117	2.2
313.05609	1.1
315.08380	0.4
341.06723	1.3
341.11432	0.5
356.29053	0.4
373.14017	0.7
405.22614	0.4
407.42029	0.4
417.08118	0.5
417.15259	0.5
435.09299	100.0
436.09647	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	435.093
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
50.91671	0.2
57.91640	0.2
58.94361	0.3
59.01387	0.2
69.03447	3.1
69.23800	0.3
69.24048	0.6
69.24471	2.1
69.55607	0.2
71.01381	0.2
79.01904	0.6
81.03468	1.3
83.01369	1.4
85.02964	0.5
95.01393	1.6
97.02956	3.3
98.20597	0.5
100.61541	0.2
107.01404	1.6
108.02181	0.4
109.02987	1.5
121.02965	9.6
123.00009	0.3
123.00888	7.5
123.04537	0.7
124.01674	21.4
125.02454	64.4
126.02796	2.2
136.01659	0.6
137.02454	3.4
147.04558	0.3
149.02437	0.3
149.99593	39.6
150.98804	0.2
151.00365	3.3
151.03990	0.4
165.01900	0.4
167.03467	1.2
168.00644	69.8
169.01346	6.5
177.01903	0.7
189.01912	0.5
190.02586	0.3
191.03722	0.2
193.01364	0.6
217.01486	0.6
269.06744	0.4
283.27655	0.3
295.04379	0.2
309.50095	0.3
313.05637	2.2
341.06641	1.4
417.08194	4.0
418.08548	0.5
435.09286	100.0
436.09668	11.2
456.27780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0931
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01885	0.4
55.62518	0.4
57.03443	0.8
59.01379	14.1
59.79900	0.4
61.98824	2.4
63.02418	0.5
65.00324	15.8
66.00671	0.5
69.03464	0.6
69.35973	1.9
69.36400	2.2
71.01389	6.2
72.99326	0.9
73.02952	2.2
75.00902	1.5
83.01392	7.1
83.05042	0.6
85.02948	4.8
87.00903	1.9
89.02451	3.5
91.01908	4.9
93.03468	10.0
93.04018	0.6
94.03829	0.5
95.01424	1.0
96.96019	5.5
97.02997	0.8
97.06613	0.6
99.00919	0.9
101.02453	3.4
101.03036	0.5
107.01406	22.2
108.02225	9.2
109.02977	7.1
109.06658	0.7
110.03323	0.5
111.00920	1.1
113.02461	2.4
113.92673	1.0
115.00383	0.6
117.03470	0.6
119.03559	1.4
119.05006	2.3
120.05410	0.8
121.02942	0.5
123.04560	1.2
125.02466	2.3
127.07692	1.5
129.01979	1.1
133.01460	1.4
135.00906	11.9
135.03041	0.5
135.04550	1.6
137.02467	5.4
139.04129	0.5
143.03540	0.5
145.02975	1.5
151.00392	100.0
152.01175	9.9
153.01965	10.9
155.10803	1.5
159.03043	0.5
161.02428	2.3
161.04536	1.1
163.04039	0.6
165.01907	1.0
169.01447	3.0
173.04626	0.6
177.01929	1.2
177.04079	1.0
179.05617	0.7
182.03714	1.0
183.02962	0.6
191.01994	0.8
191.05630	12.6
192.06024	0.6
199.09746	0.7
200.04805	1.3
201.05569	3.8
211.04033	0.8
211.07695	1.9
213.05725	0.8
226.02689	0.6
227.03406	0.5
228.04337	2.2
229.05083	10.1
229.08543	3.9
230.05310	0.5
254.02240	3.2
255.02960	4.4
255.06616	0.5
271.06104	1.9
272.03421	0.6
272.06430	1.6
273.03836	0.8
273.06790	4.0
281.06757	1.1
297.02994	1.0
297.06171	11.1
298.06616	1.2
315.07300	3.4
337.09317	3.2
341.06656	1.5
355.01334	0.6
375.20255	1.3
391.10672	0.8
391.93353	0.5
399.12781	1.1
417.03311	0.4
417.08286	7.2
418.08820	0.7
435.09180	43.3
435.18713	1.3
436.09616	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	434.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06313	1.5
56.46994	1.5
61.98830	100.0
69.40511	1.6
70.78654	6.1
72.99306	7.3
75.00885	3.8
80.43890	1.7
81.16147	1.5
85.63872	1.6
96.96007	5.3
164.40520	1.7
229.02315	1.8
303.07642	1.8
325.51450	1.9
371.31677	35.7
372.31879	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	435.0933
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01886	0.5
57.03437	1.1
59.01374	16.5
60.01724	0.8
61.98826	32.1
69.03458	1.6
69.36164	4.4
71.01382	4.4
72.99308	0.8
73.02934	0.9
81.03467	1.2
83.01389	2.1
85.02962	1.8
89.02467	1.7
91.01886	0.9
93.03465	45.8
94.03811	1.1
95.01427	0.7
97.02963	1.5
101.02451	2.8
107.01389	1.4
108.02188	8.3
109.02960	56.9
110.03318	2.1
113.02454	1.4
115.03953	0.5
117.03462	1.0
117.99847	0.5
119.05011	4.1
120.05386	0.9
121.02948	3.4
123.00888	3.6
123.04530	3.9
124.01675	5.2
125.02460	22.7
126.02737	1.1
136.01730	0.6
137.02454	86.1
137.09708	1.1
138.02788	3.0
139.04083	0.5
145.02979	3.7
147.04514	0.8
148.77013	0.6
149.02519	0.7
149.99594	8.8
151.00398	5.3
151.04039	2.5
152.01170	10.3
153.01949	76.1
153.09233	1.8
154.02361	2.8
155.10815	0.6
161.02408	1.0
161.04601	0.8
163.04001	1.6
167.03568	0.5
168.00645	18.1
169.01439	7.4
173.04610	0.5
174.48145	0.6
177.01894	3.2
179.03516	0.9
187.04048	1.0
189.01978	5.5
189.85089	0.5
190.02634	1.7
191.03462	1.8
191.05594	1.1
213.11337	1.0
216.00587	1.3
217.01370	4.8
219.03041	1.9
231.02992	1.4
255.02866	0.6
271.06003	3.7
272.06470	2.6
273.06995	0.5
273.20676	1.1
281.06674	0.8
285.03989	0.8
289.07135	2.2
290.07394	1.0
297.06174	6.9
298.06619	1.0
300.02484	0.6
313.05450	0.7
315.07175	18.0
316.07458	1.6
341.06671	12.7
342.06940	1.8
375.21780	1.5
407.08011	0.6
417.08249	1.4
435.09326	100.0
435.16348	5.9
435.25894	4.8
436.09625	14.3
436.16006	1.0
436.24512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.1
57.77647	1.1
59.01374	21.0
59.10508	1.1
61.55097	1.0
61.98829	100.0
64.82320	1.1
65.00327	3.2
68.99834	1.0
69.37180	4.9
69.37608	5.8
71.01385	15.6
72.99331	2.8
73.02963	3.9
74.02478	1.3
75.00879	12.0
81.03491	2.5
83.01396	3.2
85.02959	15.1
87.00889	4.3
87.19257	1.1
89.02467	6.3
91.01925	2.0
91.03989	1.3
93.03468	9.6
95.01373	2.5
95.10904	1.1
96.96021	3.2
97.02984	1.3
98.20586	2.2
99.00908	6.0
101.02427	6.2
103.00370	1.7
105.01952	1.0
107.01409	5.7
108.02184	5.9
109.02972	6.9
111.00888	1.5
113.02466	14.8
114.02813	1.3
115.00375	2.4
117.01958	2.6
119.03541	1.5
119.05047	3.1
121.02967	39.4
122.03275	2.1
123.04536	6.6
125.02441	3.2
127.07693	1.5
129.01942	2.4
131.03540	1.3
135.00900	3.7
137.02455	8.2
145.01768	1.5
145.02972	10.0
151.00392	22.2
151.03984	1.6
152.01173	7.5
152.03519	9.7
153.01978	5.4
161.04590	1.3
163.04051	2.3
173.04453	1.8
175.02437	1.6
177.01892	1.5
191.05620	6.4
205.01462	1.4
211.07680	2.1
216.07442	1.4
227.03433	1.2
229.05104	2.7
229.08694	5.3
231.05150	3.4
239.05731	1.3
249.06133	28.3
250.06555	1.2
255.02739	1.3
255.06706	1.3
271.06058	4.5
272.06488	5.3
273.07706	4.2
281.06451	1.7
285.04031	1.2
289.07114	1.7
297.06229	2.9
315.07281	2.0
330.59879	1.3
337.09464	2.2
341.06500	1.8
362.26108	1.2
371.09833	65.8
372.10257	6.9
399.12921	5.3
402.12811	3.0
417.08301	2.2
434.11923	3.8
434.20544	2.3
435.08667	17.3
435.14478	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	434.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.6
61.98828	100.0
62.98541	0.2
69.51688	0.3
69.52100	1.1
71.01385	0.5
89.02451	0.2
93.03441	0.3
98.19946	0.4
101.02493	0.2
109.03010	0.4
119.05057	0.2
121.02972	0.2
123.04530	0.4
125.02445	1.4
126.02809	0.5
140.96677	0.2
145.02979	0.7
151.00459	0.4
151.03996	0.3
159.04599	0.3
167.03503	0.5
168.00647	0.4
177.01958	0.6
189.01953	0.5
191.03535	0.2
217.01469	0.4
219.03021	0.3
227.03561	0.4
228.03871	0.7
229.04027	0.3
230.05586	0.2
255.03046	0.5
256.03357	0.9
257.03650	0.5
258.03873	0.8
271.06146	0.7
272.06439	1.4
273.07651	0.6
281.04486	0.3
284.03101	0.4
285.03690	1.4
286.04138	1.8
287.04330	2.1
288.04846	2.1
301.03308	0.3
341.06714	2.3
348.82275	0.2
426.58817	0.2
434.10739	3.1
435.09729	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01378	10.9
60.01710	0.9
61.01805	0.4
61.98829	100.0
63.99253	1.0
65.00320	0.5
69.03428	0.3
71.01378	2.0
71.62215	0.4
73.02942	0.5
75.00890	0.2
83.01412	0.6
83.22138	0.2
85.02960	0.8
87.00912	0.2
88.98811	0.5
89.02470	0.9
93.03465	1.4
95.01395	0.2
101.02451	1.3
103.04043	1.6
107.01406	0.3
108.02216	0.3
109.02963	1.1
113.02486	0.8
117.03494	0.3
119.03532	0.6
119.05052	1.1
120.05445	0.4
120.74599	0.2
121.02978	0.7
123.04561	0.6
124.01669	1.1
125.02461	3.4
131.07350	0.3
133.02979	0.3
137.02464	0.6
143.10793	0.3
145.02977	0.8
149.31664	0.2
149.99619	1.2
151.00366	1.7
151.04094	0.3
152.00803	0.6
153.01971	0.3
155.10825	0.3
161.02486	0.5
161.04620	0.4
163.04065	0.3
168.00655	2.6
169.01459	0.5
173.04652	0.4
177.01912	1.7
189.01927	1.3
190.02762	0.3
191.03485	0.3
213.11394	0.3
213.14931	2.4
216.00720	0.3
217.01447	1.3
219.02895	0.4
229.08728	0.3
231.03076	0.4
255.03055	0.3
271.06131	2.3
272.03448	0.4
272.06439	3.2
273.18320	0.2
273.20667	1.2
281.04733	0.3
289.07309	0.3
301.03275	0.6
302.03937	0.4
303.18176	0.6
341.06726	4.0
374.22696	0.5
407.07925	0.3
434.11993	0.4
434.24933	2.1
435.09286	4.7
435.26221	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	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01376	1.7
60.01704	0.2
61.98827	100.0
62.98520	0.2
69.48455	1.0
71.01392	0.4
71.27919	0.1
79.71362	0.1
83.01425	0.1
85.02986	0.2
86.98003	0.1
89.02444	0.2
93.03472	0.4
95.01396	0.1
101.02486	0.3
107.31516	0.1
109.02982	0.5
113.02420	0.2
121.02997	0.2
123.00887	0.1
123.04560	0.4
124.01637	0.1
125.02456	1.7
126.02792	0.6
137.02528	0.2
145.02969	1.1
146.03352	0.2
149.02492	0.1
149.99608	0.2
151.00455	0.3
151.04050	0.2
153.01956	0.2
161.06123	0.2
167.03525	0.2
168.00653	0.3
169.01414	0.1
177.01982	0.4
177.04271	0.1
178.99956	0.1
179.03502	0.1
185.06093	0.1
187.04092	0.2
188.04572	0.1
189.01967	0.5
191.03517	0.2
216.00636	0.1
217.01523	0.4
219.03049	0.2
227.03543	0.4
228.03938	0.5
229.04198	0.5
230.04340	0.2
231.69470	0.2
254.05362	0.2
255.03061	0.3
256.03293	0.8
257.03528	0.8
258.03799	0.6
271.06076	0.9
272.06436	1.8
273.07449	0.3
284.03397	0.2
285.03799	0.9
286.04138	1.4
287.04370	1.7
288.04819	1.4
341.06665	2.2
397.14890	0.1
434.10733	2.2
434.16296	0.2
435.09894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2961
Annotation	Stolonic acid A
Peak:m/z	Relative Intensity
57.03440	0.3
59.01381	5.9
60.99302	0.8
61.98830	1.5
65.00338	0.3
69.03458	0.4
69.87337	1.1
71.01402	0.5
73.02955	0.3
83.01372	0.3
83.05037	0.5
84.28261	0.2
85.02950	0.2
89.02475	0.4
91.01905	1.0
93.03459	0.6
96.72289	0.1
98.19879	0.3
101.02441	0.6
107.01407	0.7
109.06623	0.6
115.54894	0.2
119.05040	1.9
121.02974	0.3
123.08150	0.3
135.00890	1.3
137.70522	0.2
145.02980	0.4
151.00406	2.5
161.04550	0.3
167.03506	4.2
168.03867	0.3
177.01936	0.4
191.03484	0.2
213.05609	0.6
219.03162	0.4
243.03212	0.2
255.02977	0.6
271.02554	1.5
271.06125	5.1
272.06424	0.7
299.99142	2.6
300.02774	2.5
300.99863	1.5
301.03519	2.0
302.03787	0.3
303.23337	0.2
335.23807	0.2
341.24942	0.4
348.93542	0.2
351.27045	1.5
353.24835	0.2
359.83862	0.2
367.26486	0.7
369.28009	1.8
387.29059	2.6
388.29745	0.3
389.30438	0.3
411.91519	0.2
415.28528	6.7
416.28918	1.0
431.28119	0.3
433.29593	100.0
434.04211	0.4
434.29938	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	433.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
59.01380	12.8
61.98819	0.6
66.09103	0.5
68.99822	0.7
70.58963	1.8
71.01385	10.6
72.99290	0.5
73.02943	2.2
83.01400	1.2
85.02944	3.6
85.83846	0.5
87.00880	1.0
88.04916	0.4
89.02446	8.2
93.03469	36.1
94.03806	1.3
94.15392	0.4
95.01395	0.7
99.00884	0.5
101.02451	5.9
106.23299	0.5
107.05041	0.6
108.02208	0.8
113.02469	3.8
119.03532	1.5
123.04400	0.5
125.02400	0.8
135.04524	1.0
136.01665	5.4
137.02463	98.3
138.02805	4.4
147.04507	0.5
149.02524	0.9
151.04190	2.5
151.06140	12.1
151.07346	0.6
169.16162	0.5
179.03506	18.3
180.03833	0.9
191.03369	0.5
195.44421	0.5
197.04530	0.7
209.04570	2.2
221.04604	1.2
239.05603	13.1
240.05949	0.6
245.84341	0.5
281.06671	8.3
299.07635	1.6
429.57852	0.5
433.13507	100.0
434.13815	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2361
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01381	1.3
61.98811	0.4
62.96404	0.4
65.00322	0.2
70.25657	0.1
70.41006	0.6
78.95907	69.8
88.50820	0.1
93.66945	0.1
96.96346	0.3
96.96970	5.7
98.19887	0.2
150.98035	1.7
152.99603	100.0
153.99945	1.5
171.00670	2.9
171.87712	0.2
210.32803	0.2
232.09810	0.2
271.06131	0.2
279.23318	1.7
299.99124	0.6
300.02454	0.3
300.99786	0.7
301.03101	0.2
433.04126	0.7
433.23602	17.7
434.23816	2.3
434.29315	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07802	0.4
57.03465	0.5
58.00580	0.5
59.01091	0.8
59.01377	12.3
61.98825	1.5
69.31671	4.5
71.01386	8.9
73.02946	1.7
83.01411	0.9
85.02953	2.7
87.00887	0.6
88.31670	0.5
89.02448	6.3
92.02710	0.6
93.03465	35.0
94.03818	1.2
95.01378	0.8
96.99310	0.5
97.02970	0.5
98.20692	0.8
99.00888	0.7
101.02467	5.3
107.05058	0.9
108.02184	0.9
113.02449	3.4
119.03510	2.1
124.01689	0.8
133.05228	0.5
135.04520	0.8
136.01686	8.5
137.02458	100.0
138.02774	2.8
139.04015	1.2
143.03500	0.4
147.04491	0.5
149.02460	0.9
151.04051	3.0
151.06145	4.3
179.03510	28.5
180.03825	1.3
191.03493	0.6
197.39261	0.4
208.82817	0.5
209.04547	4.9
221.04622	0.9
239.05614	20.8
240.05894	1.2
260.14658	0.4
281.06613	3.5
282.07083	0.5
299.07635	3.8
368.96158	0.5
408.40604	0.4
433.13498	92.1
434.13855	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	433.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.4
61.98837	0.4
68.99823	0.4
71.01383	9.0
71.17493	0.5
71.17797	0.4
73.02950	1.6
73.56464	0.4
83.01408	1.0
85.02969	2.4
87.00883	0.6
89.02452	6.2
91.34689	0.4
93.03468	37.2
94.03806	1.4
95.01408	1.0
97.02940	0.4
99.00887	0.6
101.02457	5.4
107.05018	0.5
113.02451	2.9
119.03535	1.8
121.02940	0.6
133.03159	0.4
133.05061	0.3
135.04550	0.8
136.01680	5.6
137.02466	100.0
138.02800	4.2
143.03453	0.6
149.02487	0.7
151.04118	2.2
151.06117	6.2
162.14024	0.4
179.03517	17.5
180.03912	0.9
209.04503	2.5
221.04614	1.0
239.03297	0.8
239.05618	11.2
239.08061	0.7
240.06012	0.9
281.06613	3.0
299.07718	1.5
313.11343	0.8
408.87875	0.4
433.13504	88.1
434.13864	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	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69581	0.8
55.01863	2.8
57.03439	2.8
58.00594	0.8
59.01376	33.6
60.01706	1.3
61.98521	1.3
61.98825	19.1
63.02392	1.4
65.00316	2.8
68.99821	2.0
69.03448	1.0
69.52991	5.1
69.53399	1.9
71.01382	31.7
72.99311	1.8
73.02950	8.0
83.01378	6.4
85.02956	13.6
87.00885	2.2
88.09551	0.8
89.02447	11.3
93.03465	49.4
93.17817	0.8
94.03765	1.6
95.01379	4.3
96.99311	2.8
97.02980	1.0
99.00898	2.4
101.02451	20.6
102.02778	0.8
107.01407	6.6
107.05037	64.8
108.02193	3.1
108.05364	2.4
109.02981	1.6
111.04432	0.8
113.02457	14.9
119.03522	3.6
119.05038	15.1
121.02958	5.2
121.69214	0.8
123.04568	1.6
124.09229	0.8
125.02455	2.9
133.03032	1.4
136.01732	4.4
136.02594	1.1
137.02455	78.9
138.02759	3.7
139.04076	0.9
143.03523	1.2
143.05074	2.1
145.02968	2.2
147.04556	2.0
149.02461	0.9
151.00380	27.0
151.04008	4.4
159.02980	1.1
159.08148	1.2
161.02425	1.3
161.04556	5.5
163.00356	2.4
163.04031	0.8
166.52039	0.8
177.01974	2.2
178.99869	5.1
179.03487	1.0
179.05559	2.2
182.07301	0.8
183.04338	0.7
183.08110	1.4
183.10094	1.0
185.06067	4.8
191.03488	1.3
199.04169	0.8
209.06049	1.3
211.03931	1.8
212.51042	0.9
214.61913	0.9
221.04567	1.3
225.05399	1.7
226.02669	2.6
227.03413	2.6
227.07114	22.7
228.07500	2.6
243.03001	10.5
244.03418	1.5
253.05052	10.0
254.02391	1.5
255.02975	21.5
256.03409	1.8
259.06125	2.5
271.02460	53.5
271.06070	62.2
271.19043	1.7
272.02878	6.0
272.06436	4.7
273.03909	1.0
281.06656	65.9
282.06946	4.1
283.02454	0.9
300.02740	100.0
301.03442	38.0
302.03903	2.4
313.07181	1.3
389.12405	49.1
390.12836	6.3
415.10138	1.9
423.97614	0.8
433.07666	50.3
433.12051	18.9
433.24469	8.5
434.08032	5.5
434.12411	3.0
434.24863	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
55.27810	0.6
57.03443	3.4
58.00589	2.1
59.01377	30.6
61.01793	0.7
61.98827	8.9
63.02399	2.2
65.00322	9.1
65.70348	1.0
69.03456	3.6
71.01383	23.9
71.05006	1.2
71.64221	1.3
72.99300	2.6
73.02937	5.0
75.00875	3.3
77.03993	0.8
79.01862	0.7
81.03464	2.0
83.01393	8.0
85.02953	10.5
87.00876	12.8
87.04499	1.7
88.98809	1.2
89.02448	13.5
93.03458	8.5
93.07146	1.0
95.01397	3.7
95.05029	0.9
97.02948	4.0
99.00896	3.5
101.02444	12.5
105.01927	1.6
105.03474	1.4
107.01407	12.2
108.02196	5.7
109.02965	13.0
109.06593	1.6
111.00877	0.8
111.08140	1.1
113.02459	11.6
117.03454	2.2
119.03531	5.1
119.05034	42.8
120.05370	1.1
121.02983	6.0
123.00901	2.3
123.04507	2.3
123.08187	0.9
123.53230	0.8
125.02450	13.0
127.07661	6.2
129.01944	1.1
131.65161	0.7
132.02132	1.3
133.02972	31.9
135.04552	12.1
137.02467	4.8
137.06075	4.9
139.04022	1.0
139.11343	2.8
143.03511	1.2
143.05066	2.9
145.02945	4.2
147.03143	0.6
147.04509	1.1
149.02464	4.6
149.99590	2.1
151.00381	49.6
151.04002	1.8
152.00705	1.3
153.09259	0.7
153.35759	0.7
155.03534	1.2
155.07152	3.1
155.10806	0.7
159.03162	1.2
159.04488	0.9
161.02455	100.0
161.04597	4.5
161.06052	2.0
162.02808	5.3
163.00421	3.6
163.03947	1.2
164.01199	1.3
165.01947	8.4
165.09279	1.0
167.03482	2.3
169.01447	2.4
173.16451	0.7
175.00378	1.0
175.03963	1.1
177.01973	4.2
177.04135	1.0
177.05531	1.6
179.03508	9.1
179.05614	2.7
179.10652	1.2
183.10262	8.7
185.06073	2.7
186.67117	0.7
187.04039	4.9
191.03467	2.0
192.99736	1.5
193.01413	15.7
197.11769	3.6
199.07610	1.0
199.09677	0.8
203.03568	0.9
207.02988	1.7
219.02953	1.6
221.04596	1.1
223.02489	2.1
225.11307	5.0
227.07184	2.1
243.03009	1.1
249.06160	2.6
255.02859	1.7
267.07144	3.5
269.08011	1.2
271.06085	68.5
271.19128	1.9
272.06400	6.8
272.19290	0.7
283.06067	1.4
300.02756	2.3
301.03568	4.0
313.07196	65.8
314.07538	7.0
323.07751	4.4
325.07111	1.2
343.08209	17.0
344.08603	1.2
355.08179	1.2
397.11215	1.3
401.12482	3.1
415.10468	1.1
433.11356	88.3
433.17123	37.6
433.24277	10.5
434.11737	13.2
434.17517	3.5
434.24786	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87182	0.7
53.43391	0.7
55.01877	2.6
56.88480	0.7
57.03437	3.1
58.00580	0.9
59.01377	38.6
60.01701	1.1
61.98830	35.1
63.02399	2.2
65.00308	4.6
67.01857	0.8
68.99809	1.4
69.03436	0.9
69.29536	8.6
71.01384	35.5
72.99294	1.9
73.02943	7.0
81.03441	0.9
81.50375	0.8
83.01392	8.8
85.02956	17.6
87.00896	1.5
88.35371	0.7
89.02451	13.7
89.93302	0.9
93.03465	53.6
94.03838	1.8
95.01385	4.1
96.99311	1.7
97.02949	1.0
98.20615	1.5
99.00881	3.5
101.02449	24.2
107.01399	10.8
107.05039	72.1
108.02189	3.6
108.05363	2.6
109.02972	1.4
113.02464	16.6
117.03506	0.8
117.36320	0.8
119.03557	6.7
119.05035	26.4
119.74617	0.9
121.02998	6.4
123.04536	1.7
125.02438	4.2
129.01904	0.8
131.03502	0.8
135.04494	1.4
136.01686	5.2
137.02460	92.1
138.02798	3.2
143.03496	1.6
143.05061	1.7
145.02972	1.9
147.04509	1.8
148.01703	2.1
149.02434	1.2
149.05849	0.8
151.00381	37.2
151.03986	4.1
152.00804	1.3
155.10786	1.0
159.03082	1.0
159.04419	1.1
161.04616	6.8
161.05988	1.3
163.00441	3.6
163.03964	1.1
164.01170	1.1
165.01900	2.7
169.01414	1.5
175.39876	0.8
177.01958	4.1
177.97617	0.7
178.99867	3.6
179.03497	1.8
179.05623	3.0
183.04529	1.3
183.08192	1.4
183.10208	0.9
185.06145	4.6
185.07573	0.9
185.09845	0.8
187.03952	1.1
188.29259	0.7
191.03535	1.4
199.03894	0.9
209.06102	1.6
221.04550	1.1
225.05627	1.0
226.02620	1.1
227.03491	2.9
227.07127	18.6
228.07469	1.6
243.03009	10.6
244.03311	1.3
245.04485	1.9
253.05067	12.3
254.02158	2.7
255.02980	23.8
256.03415	2.3
259.06158	6.1
271.02460	58.0
271.06061	87.4
271.19080	2.1
272.02896	6.4
272.06412	10.2
281.06662	79.6
282.06897	6.5
287.05609	2.4
295.06308	1.1
299.02048	0.8
300.02744	100.0
301.03442	44.0
302.03888	2.6
313.07126	2.1
389.12399	63.1
390.12619	7.3
433.06778	56.7
433.12112	18.6
433.24371	10.7
434.08029	7.2
434.12436	3.2
434.24731	1.7
443.67947	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14231	0.3
59.96474	0.3
63.02394	0.9
65.00322	3.1
69.59412	2.0
83.01388	1.8
93.03455	3.7
98.19941	0.6
100.03134	0.3
107.01404	5.5
119.05041	19.1
120.05326	0.6
122.03731	0.8
125.02437	0.6
131.01360	0.4
145.02933	0.4
151.00383	22.0
152.00700	0.8
164.01204	0.3
165.01897	0.8
165.05560	0.3
169.01448	0.5
175.00365	1.3
177.01953	2.9
200.12718	0.3
202.26501	0.3
227.07233	0.5
271.06094	100.0
272.06418	10.7
272.09396	0.5
286.76303	0.3
295.06259	1.4
313.07141	1.8
326.55811	0.3
433.11389	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1141
Annotation	Naringenin 4'-O-galactoside
Peak:m/z	Relative Intensity
57.03453	0.6
59.01379	7.3
61.98838	1.3
63.02400	2.9
63.19189	0.3
65.00324	5.9
67.01884	1.7
68.99850	0.3
69.03481	0.5
69.74213	2.1
71.01382	4.1
72.99315	0.6
73.02950	1.3
75.00875	0.8
83.01389	5.9
83.05070	0.4
85.02948	2.0
87.00902	0.8
89.02447	2.7
93.03468	14.6
94.98000	0.3
95.01388	0.9
95.05042	0.4
97.06606	0.5
99.00880	0.5
101.02450	2.6
103.69429	0.3
107.01404	13.4
108.02237	2.1
109.02998	1.9
111.00849	0.4
111.04516	0.8
113.02431	2.4
119.03579	1.3
119.05041	27.7
120.05379	1.3
120.99632	0.3
121.03011	1.5
123.00842	0.5
123.04558	1.4
125.02483	3.2
126.02773	0.5
133.02972	1.8
135.04549	0.6
136.01692	2.1
137.02458	12.5
138.02840	0.5
139.00391	0.6
141.01953	0.4
143.05109	0.4
145.02950	0.7
147.04535	1.1
149.02412	0.5
151.00383	45.0
151.04054	0.9
152.00746	1.7
152.04358	0.6
153.01939	0.4
153.09180	0.4
155.10788	0.4
156.05806	0.8
159.04546	0.6
161.04587	1.2
161.06075	0.7
164.01189	4.2
165.01924	2.1
167.47244	0.4
169.01419	1.8
171.04561	1.1
173.04634	2.0
173.05966	0.6
173.35709	0.3
175.04044	0.6
177.00504	0.6
177.01947	7.7
179.05573	0.5
185.06136	0.6
187.04030	0.9
187.07718	0.7
191.05617	4.4
196.00134	1.3
197.06154	0.5
200.04770	0.7
211.04359	0.4
211.07683	0.9
211.09718	0.4
215.07129	10.5
216.07475	0.9
217.05098	0.4
227.07175	0.7
229.04932	0.7
241.05014	0.3
243.02963	0.8
253.05078	0.4
259.06085	7.1
260.06485	0.4
271.06097	100.0
272.03601	0.6
272.06421	7.6
287.05484	0.6
310.70132	0.4
313.07062	0.6
328.91306	0.4
385.12915	0.4
401.12402	3.9
433.11304	30.1
433.20773	1.8
433.24948	0.8
434.11591	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	433.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03497	0.5
57.51344	0.5
58.00662	0.8
59.01107	1.5
59.01439	21.1
60.01751	1.3
61.01880	0.7
61.24665	0.5
61.98893	44.6
62.98582	0.9
63.02459	0.8
63.99300	0.6
65.00396	2.8
69.60191	4.2
71.01385	12.1
72.01810	0.5
73.03017	2.5
73.66183	0.6
78.38479	0.6
83.01417	2.7
85.02955	3.7
85.56509	0.5
87.00927	0.6
89.02455	6.8
93.03461	10.4
95.01480	1.4
98.19914	0.9
99.00958	1.0
101.02454	8.6
107.01390	4.9
107.05039	13.6
108.02290	1.7
109.03075	2.0
113.02431	4.1
119.03561	3.1
119.05045	8.0
121.02950	3.1
123.04599	0.5
125.02506	0.6
131.03632	0.6
135.00958	1.0
136.01758	0.9
137.02472	16.4
142.34328	0.5
143.03647	0.9
145.03020	1.2
148.01781	1.6
151.00407	20.5
151.04131	1.1
152.00821	0.7
153.09323	0.9
155.10854	1.1
159.03087	0.6
160.38072	0.6
161.04625	2.7
163.00397	3.1
164.01189	1.1
165.01968	3.5
169.01556	0.8
175.03943	0.6
177.02065	1.5
178.99884	5.8
179.05714	1.7
185.02544	0.8
185.06215	1.2
187.04131	0.7
199.04044	1.0
199.09818	0.8
201.05719	0.6
203.88414	0.5
211.04060	1.7
216.04314	0.9
216.20285	0.7
224.47438	0.5
226.02762	2.4
227.03520	3.4
227.07121	2.6
229.05115	1.1
243.02982	11.1
244.03552	1.2
245.04530	1.3
253.05138	2.1
254.02275	2.5
255.00948	0.4
255.02979	26.0
256.03510	2.8
271.02493	62.8
271.06085	23.0
271.19116	1.1
272.02927	7.0
272.06458	1.9
273.04053	1.8
281.06668	13.3
282.07150	0.9
283.02438	1.4
299.01993	1.2
300.02759	100.0
301.03482	58.6
302.03937	4.7
329.63696	0.6
345.15207	0.5
389.07874	0.8
389.12454	9.8
390.12601	1.5
429.95477	0.6
433.07550	63.5
433.24362	3.9
434.07864	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	433.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46635	0.3
55.57830	0.3
57.81582	0.3
59.01380	92.5
60.01716	0.9
61.98837	0.7
63.02404	1.0
64.06488	0.4
65.00323	1.8
69.40712	3.0
69.41138	0.7
71.01377	3.6
75.69095	0.3
83.01402	1.4
85.02961	0.5
89.02454	4.5
91.01880	0.5
93.03474	0.9
95.01421	0.4
101.02454	1.6
107.01402	4.6
108.02195	2.4
109.02978	2.8
113.02469	1.6
114.14143	0.3
119.03529	1.3
121.02979	3.1
125.02493	0.7
135.00926	1.1
136.01741	0.3
137.02431	0.4
139.04056	0.4
143.05096	0.4
148.01683	1.2
149.02397	0.6
151.00389	17.2
152.00679	0.8
159.04547	0.5
161.04607	0.4
163.00406	4.2
164.01118	1.1
169.01483	0.6
171.04564	0.7
175.03966	0.4
178.99875	11.3
179.05618	1.5
183.04541	1.0
187.04047	0.6
188.04796	0.6
192.00668	0.8
193.01370	0.4
198.03232	0.5
199.03998	0.9
201.05524	0.7
203.03490	0.8
211.03960	2.2
215.03494	0.6
226.02800	1.6
227.03532	3.8
227.07072	0.5
228.03984	0.5
229.05032	1.2
239.03487	0.6
243.02966	10.7
244.03455	0.9
245.04456	2.6
254.02235	2.6
255.02971	32.4
256.03342	2.3
266.02017	0.4
271.02463	56.2
272.02872	6.4
273.03998	1.9
283.02469	2.7
299.02057	1.4
300.02753	100.0
301.03494	94.3
302.03900	7.9
327.74323	0.3
343.04657	0.6
357.95062	0.3
357.99573	0.4
433.07758	46.3
433.24081	0.9
434.08075	6.4
437.55792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50951	0.4
55.73380	0.3
57.03458	0.5
59.01378	18.1
60.01720	1.0
60.26625	0.3
61.01814	0.3
61.98831	100.0
65.00339	0.7
71.01384	2.2
72.99319	0.3
73.02946	0.5
75.00887	0.4
77.79366	0.4
78.95912	0.3
83.01397	0.7
85.02980	1.0
89.02467	1.1
92.07341	0.3
93.03468	4.3
99.00929	0.5
101.02476	1.2
102.90860	0.3
103.74545	0.3
105.91438	0.3
107.01423	0.8
109.02982	0.7
113.02491	0.8
117.03492	0.5
119.03533	0.5
119.05050	2.2
121.02983	1.5
125.02488	3.0
135.04453	0.4
137.02522	0.5
145.02934	1.7
146.03346	0.7
149.06081	0.4
151.00414	3.5
160.84238	1.5
161.04662	0.7
169.01515	0.4
177.01982	1.5
178.99876	0.5
187.03957	0.4
227.16582	0.8
243.03009	0.5
243.06651	0.4
255.02939	0.8
271.02606	1.7
271.06158	6.5
271.08749	0.6
277.67139	0.4
285.03806	0.4
286.04324	0.4
299.99149	1.6
300.02805	2.7
301.00247	0.7
301.03574	2.1
330.32938	0.3
341.06625	0.4
362.74960	0.3
372.22003	0.5
373.22430	1.4
431.07910	0.6
432.10464	0.5
432.24280	0.7
433.03445	0.6
433.08521	1.7
433.17551	0.8
433.25912	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	432.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.9
61.98829	100.0
62.83065	0.8
70.40100	3.4
78.95889	1.4
83.29021	0.7
94.04503	0.8
98.19929	0.8
122.43153	0.8
177.74228	0.7
193.50972	0.8
215.39746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74774	0.3
54.52178	0.2
59.01375	3.9
61.98828	100.0
63.02392	0.3
64.22035	0.2
65.00329	0.9
69.47234	2.2
69.47628	0.4
71.01392	0.7
72.51901	0.2
76.78632	0.2
83.01411	0.5
85.02940	0.2
89.02442	0.4
93.03479	1.2
100.79804	0.2
101.02482	0.3
101.12656	0.2
107.01382	1.5
113.02486	0.3
119.05038	4.5
125.02388	0.2
136.01675	0.3
137.09749	0.3
151.00380	6.0
155.10852	1.8
165.01898	0.2
172.96820	0.2
177.02022	0.9
199.09795	0.5
271.06091	14.7
300.02856	0.3
301.03787	0.3
413.95895	0.2
432.18704	2.1
433.11450	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	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
57.03465	0.5
57.49119	0.3
59.01378	26.1
60.01714	1.8
60.01974	0.3
61.01808	0.6
61.98828	100.0
65.00331	0.9
71.01375	5.1
72.99318	0.6
73.02959	1.4
83.01409	1.3
85.02956	2.4
88.26558	0.4
89.02442	3.1
92.72297	0.3
93.03471	5.7
95.01414	0.5
101.02457	4.5
107.01408	1.9
107.05050	6.7
108.02171	0.9
108.23408	0.3
109.02945	0.6
113.02468	2.4
117.03501	1.0
118.03844	0.5
119.03539	1.5
119.05028	3.9
121.02968	1.3
125.02503	0.7
136.01663	0.5
137.02455	8.7
145.02977	2.4
146.03314	2.3
148.01698	0.5
151.00377	7.2
161.02432	0.3
161.04579	0.9
163.00330	0.4
165.01994	0.7
174.89801	0.3
177.01909	0.7
178.99907	1.4
179.05655	0.8
199.03958	0.5
211.04074	0.6
226.02711	0.5
227.03471	0.8
227.07008	1.7
241.01552	0.7
242.01865	1.1
243.03001	3.6
245.04657	0.4
253.05057	0.9
254.02238	0.8
255.03001	8.4
259.06149	0.5
270.04913	0.5
271.02493	19.0
271.06119	12.2
271.19156	0.7
272.03015	1.1
281.06662	6.6
283.02493	0.6
299.01901	1.3
300.02740	30.2
301.03525	13.8
389.12421	6.6
392.76489	0.4
421.40240	0.4
432.06491	1.8
432.13724	2.0
433.07397	22.2
433.24390	2.6
453.16821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
57.03451	1.0
58.00587	0.6
58.33219	0.4
59.01378	100.0
60.01722	1.1
61.98835	2.6
62.73481	0.4
71.01382	9.7
72.99307	0.5
73.02950	4.0
83.01387	1.2
85.02955	4.1
87.00878	0.6
89.02443	6.5
95.01375	0.5
99.00866	1.1
101.02453	7.8
107.99553	0.4
111.04393	0.5
113.02481	4.6
119.03528	3.4
119.05013	0.9
125.02405	0.6
143.03409	1.1
153.09097	1.1
155.10701	1.2
155.55811	0.5
159.02983	0.6
161.04572	4.0
163.03860	0.6
163.11203	1.1
179.05635	2.1
181.12364	11.2
182.12566	0.8
199.09540	0.4
223.08040	0.6
225.11176	1.0
227.03326	1.1
251.16347	0.9
255.02637	1.9
269.17398	0.7
284.02863	1.7
285.03979	3.7
286.04285	0.5
371.20749	6.1
372.20529	0.8
415.19202	0.5
431.09000	2.0
431.18420	16.0
432.18665	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	431.2804
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
57.03450	0.3
59.01385	2.3
60.99314	1.2
61.98833	0.8
67.01906	0.2
69.03461	3.0
69.35727	1.7
71.01392	0.3
71.05032	0.4
73.02956	0.4
77.48122	0.1
78.95924	0.2
83.05033	0.7
88.98833	0.3
94.03029	0.1
102.47180	0.2
109.06606	0.4
121.02988	0.2
123.08179	0.3
141.84868	0.1
215.78563	0.2
241.01500	0.3
249.18919	0.2
255.03134	0.2
270.01593	0.2
271.02460	0.2
281.18933	0.2
284.03146	0.2
285.04065	0.6
293.19241	0.3
301.22180	0.2
307.17233	0.2
325.21286	0.2
335.23871	0.2
339.23306	0.5
341.24338	0.2
349.25385	0.3
351.23236	0.2
351.26968	1.9
353.21146	0.5
367.26331	1.8
368.26913	0.3
369.28033	4.2
370.28448	0.4
371.22235	2.9
372.22650	0.4
383.25995	0.6
385.27502	2.7
386.27887	0.4
387.29044	0.4
413.26968	7.3
414.27222	1.1
429.26178	0.2
431.28116	100.0
432.28479	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2802
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
50.65944	0.4
53.38640	0.4
59.01377	21.2
60.99317	0.7
61.98829	0.5
70.18873	1.9
73.02931	2.5
78.95889	0.6
86.51485	0.5
141.50667	0.5
271.24338	1.6
285.22174	0.7
309.26022	0.7
323.23901	0.9
325.25314	2.8
327.26978	0.8
353.24878	10.9
354.25241	1.7
371.25903	69.7
372.26239	11.0
431.27997	100.0
432.28284	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	432.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62684	0.2
53.08878	0.2
54.11355	0.2
56.70166	0.3
57.03442	1.0
57.97081	0.2
58.00604	0.3
59.01375	14.5
60.01706	0.7
61.01792	0.2
61.98828	100.0
65.00333	0.4
71.01376	5.1
71.35918	0.4
72.99326	0.4
73.02945	1.0
75.00882	0.6
78.95921	0.5
81.03462	0.4
83.01409	0.8
84.15702	0.3
85.02948	1.7
87.00903	0.7
87.04527	0.3
89.02448	3.8
89.64483	0.3
89.75131	0.3
93.03458	3.0
94.03874	0.3
95.01379	0.5
99.00880	0.4
101.02447	2.6
102.73889	0.2
105.03568	0.2
107.01398	0.5
107.05057	0.5
109.02979	0.7
111.00884	0.2
111.02143	0.2
111.04575	0.2
113.02432	2.4
115.00410	0.3
115.92065	0.3
119.03546	1.5
119.05013	0.5
121.02990	1.5
123.04544	1.0
125.02449	5.4
128.03606	0.2
129.01961	0.4
133.03011	0.3
135.04541	1.1
137.02461	2.9
143.03577	0.4
146.04672	0.4
149.02486	0.7
149.06038	0.2
151.00392	2.3
151.04044	2.3
153.01984	0.6
155.10809	1.0
159.04492	0.2
161.02492	1.0
161.04584	1.1
163.04021	0.3
165.01912	0.3
172.05324	0.5
173.06140	0.9
175.04070	0.4
177.01900	0.4
177.04156	0.3
177.05579	0.5
178.99913	1.8
179.05634	1.0
183.10295	0.9
191.05518	0.4
199.09706	0.3
201.05653	0.5
209.04561	0.3
215.07176	1.5
230.05167	0.3
243.06746	0.5
255.03078	0.6
256.03577	0.5
259.06113	9.3
267.07019	0.4
269.04553	0.3
270.04886	0.6
271.02560	1.2
271.05927	0.5
271.19281	0.4
283.11041	0.5
285.04068	1.3
286.04321	2.3
287.05597	4.7
289.07443	0.4
300.02734	1.4
301.03577	1.1
313.09344	0.8
389.12814	0.3
401.12839	0.4
405.11798	2.0
432.09473	1.3
432.23257	0.5
433.11603	5.7
433.16656	1.1
433.24567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86433	0.2
59.01377	15.0
60.01717	0.2
61.98830	100.0
62.15714	0.2
65.00333	0.4
69.35606	0.2
69.40953	2.4
69.41277	0.3
71.01400	1.3
71.01714	0.2
73.02950	0.3
83.01450	0.3
85.02976	0.4
89.02441	1.1
93.03478	0.7
98.20615	0.5
101.02473	0.8
107.01398	0.7
113.02478	0.6
119.03529	0.4
119.05038	2.5
121.03008	0.4
125.02449	0.3
136.01721	0.4
137.02499	0.7
145.02971	0.6
149.02592	0.3
150.03305	0.2
151.00375	3.2
155.10791	0.6
161.04546	0.2
165.05594	0.4
179.03627	0.7
185.39803	0.2
199.09778	0.6
239.05679	0.2
240.63544	0.3
255.02956	0.4
271.02676	0.9
271.06085	9.3
300.02750	0.9
301.03708	0.8
397.15262	0.4
433.07968	0.6
433.15631	0.5
433.24829	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82359	0.1
57.03444	0.2
58.00611	0.1
58.11580	0.1
59.01376	7.3
60.01743	0.1
61.98827	100.0
65.00323	0.2
69.61514	0.4
69.61930	0.5
71.01386	2.2
72.99296	0.1
73.02947	0.3
75.09649	0.1
75.85810	0.1
83.01408	0.3
85.02956	0.7
87.00890	0.2
87.95010	0.1
89.02454	1.8
93.03465	0.2
95.01422	0.2
99.00868	0.1
101.02474	1.0
103.91615	0.1
107.01398	0.4
109.02938	0.3
113.02435	0.7
119.03516	0.7
119.05028	0.2
121.02968	0.3
125.02501	0.2
137.02458	0.2
137.09781	0.2
143.03409	0.2
145.02982	1.1
146.03282	0.2
148.01683	0.1
151.00391	1.4
155.10797	1.2
161.04555	0.5
163.00394	0.3
178.99831	0.6
179.05656	0.3
183.10353	0.2
199.09927	0.2
205.05260	0.1
227.03558	0.3
229.05000	0.2
242.01869	0.3
243.03052	0.7
245.04427	0.2
255.02917	2.2
271.02423	4.3
271.06058	0.4
271.19266	0.2
272.03067	0.2
283.02652	0.3
285.03583	0.3
286.04523	0.2
299.01730	0.2
300.02737	6.4
301.03525	6.0
341.41690	0.1
397.15091	0.4
400.87604	0.1
432.06659	0.5
432.18832	1.3
432.23727	0.1
433.07639	3.6
433.25064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
59.97811	0.1
60.01741	0.1
61.98832	100.0
65.00336	0.2
69.44837	1.5
71.01385	1.9
71.33202	0.1
73.02951	0.4
85.02989	0.4
87.00913	0.2
89.02458	1.7
97.21110	0.2
99.00897	0.1
99.55850	0.1
101.02466	1.1
101.45117	0.1
105.27822	0.1
105.44424	0.2
107.01431	0.2
108.02180	0.2
108.25853	0.2
109.03041	0.2
113.02485	0.5
117.03549	0.2
119.03546	0.7
121.02976	0.2
131.03670	0.2
137.02542	0.2
143.03578	0.2
145.02977	0.7
151.00378	0.9
155.10806	1.2
161.04575	0.5
163.00392	0.2
178.99977	0.5
179.05568	0.2
198.92224	0.2
199.09857	0.3
213.29138	0.2
229.22031	0.2
243.03004	0.4
255.02998	1.6
271.02567	2.8
271.06107	0.4
272.03125	0.2
284.02902	0.2
285.03311	0.5
286.04449	0.2
299.01791	0.3
300.02716	4.0
300.05957	0.3
301.03522	3.6
379.73068	0.2
388.45090	0.2
397.15076	0.3
432.06064	0.2
432.18686	1.0
433.07693	2.5
433.24649	0.7
454.20328	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77245	0.2
57.03428	0.3
59.01374	100.0
60.01708	1.3
61.98822	4.4
66.09079	0.3
71.01379	5.3
72.99294	0.4
73.02960	0.9
85.02971	0.8
85.69981	0.3
87.00852	0.5
89.02444	7.7
93.03407	0.3
95.01418	0.4
101.02461	2.9
113.02449	2.1
119.03507	3.1
131.03539	0.3
137.02492	0.2
143.03535	0.5
145.03027	0.4
161.04605	0.7
179.05624	2.6
187.07668	0.6
213.05571	0.3
227.03453	2.9
228.03860	0.6
229.05035	0.6
231.44566	0.3
239.03575	0.3
255.02994	3.9
255.05482	0.5
256.03534	0.9
257.04575	0.4
269.04468	0.4
284.03201	4.4
285.04007	11.2
286.04453	1.1
332.29144	0.3
371.94501	0.3
400.11597	0.3
431.09802	6.4
431.23212	2.2
432.10144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.2
55.81524	0.2
57.03458	0.5
58.00593	0.4
59.01377	100.0
60.01712	1.3
61.98830	4.3
63.02401	0.6
65.00339	0.6
70.72092	0.4
70.72441	0.2
71.01383	4.5
72.99335	0.2
73.02961	0.8
75.00894	0.2
79.43124	0.2
83.01413	0.8
85.02969	1.5
88.98831	0.2
89.02451	2.9
93.03458	1.1
95.01401	0.3
97.02990	0.2
99.00900	0.4
101.02466	2.9
105.55583	0.2
107.01399	0.9
108.45029	0.2
113.02465	2.1
119.03511	1.3
119.05062	0.6
121.02974	0.4
121.06614	1.1
129.03442	0.2
133.03055	0.4
137.02455	0.4
137.09770	0.2
143.03542	0.4
145.02945	0.2
147.04556	0.7
151.00383	3.4
151.04152	0.2
153.01932	0.2
155.02606	0.2
155.10857	0.3
159.02977	0.5
161.02470	0.4
161.04587	2.1
165.01935	0.4
165.05588	13.4
166.05930	0.7
169.01530	0.5
169.89502	0.2
179.05637	0.5
209.15535	1.0
213.05637	0.2
227.03561	0.3
229.05098	0.3
253.38228	0.2
255.03087	0.6
257.04623	1.1
269.17593	0.2
271.06259	0.3
272.06543	0.3
284.03201	2.5
285.04007	3.7
286.04514	0.3
286.70325	0.2
299.02151	0.3
353.20096	0.2
371.20749	4.9
372.21277	0.5
430.65775	0.3
431.09668	4.8
431.22842	1.9
432.10226	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
58.90567	0.2
59.01367	0.5
62.96410	0.3
69.40990	0.7
69.41415	1.0
74.59805	0.2
78.95908	54.5
96.96974	6.6
98.19884	0.2
150.98032	1.6
152.99611	100.0
153.99942	1.4
171.00665	4.3
233.07315	0.2
277.21863	0.5
323.93954	0.2
346.26431	0.3
366.32224	0.2
431.22052	7.6
432.22302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01378	100.0
60.01716	1.0
61.98829	2.7
65.63099	0.2
69.53704	0.8
69.54128	1.1
71.01382	5.1
72.18637	0.2
72.99330	0.4
73.02937	1.3
83.01408	0.4
85.02969	1.0
87.00868	0.2
89.02450	8.3
93.03462	0.4
95.01385	0.5
101.02467	3.1
107.01389	0.4
110.45764	0.2
113.02455	2.5
117.00340	0.2
119.03522	2.9
121.02988	0.3
125.02509	0.2
127.47615	0.2
131.03545	0.5
137.02446	0.3
143.03532	0.7
145.03014	0.3
148.78320	0.3
151.00401	0.3
154.04311	0.4
159.04491	0.2
161.04594	0.9
169.06653	0.7
178.78140	0.2
179.05644	2.2
185.06067	0.7
187.04060	0.3
189.05547	0.3
195.04633	0.3
199.71715	0.2
205.40291	0.2
207.11317	0.2
211.04028	0.4
213.05614	0.7
214.02750	0.4
227.03479	2.9
229.05013	0.8
239.03619	0.4
243.02899	0.4
251.12840	0.3
255.02948	3.6
256.03598	1.2
257.04581	0.4
269.04459	0.3
283.02386	0.3
284.03201	5.2
285.04028	20.3
286.04370	1.9
431.09842	7.9
431.23312	2.0
432.10373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79963	0.1
54.21209	0.1
55.09905	0.1
59.01376	0.3
61.98809	0.2
62.96392	0.2
64.26797	0.1
65.68846	0.1
70.98299	0.2
70.98647	0.3
75.90171	0.1
76.42068	0.1
76.62797	0.2
78.95907	71.6
81.86102	0.1
88.44662	0.2
96.96973	5.3
118.05956	0.2
150.98039	1.7
152.99602	100.0
153.99945	1.8
171.00665	2.6
242.69351	0.2
277.21695	1.1
415.32449	0.2
431.22037	14.9
432.22354	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	431.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	6.0
58.00576	2.8
58.27697	1.2
59.01378	38.4
61.98839	9.8
69.03450	3.2
71.01384	37.4
71.05048	1.6
71.65521	1.8
72.01706	1.4
72.99308	2.8
73.02947	12.1
75.00880	8.5
81.03458	1.6
83.01395	4.5
85.02958	15.1
85.79294	1.1
87.00886	3.1
87.04542	1.4
87.28121	1.2
89.02448	24.5
89.31278	1.0
93.03465	11.4
95.01383	4.6
97.02956	4.8
99.00890	4.3
101.02451	19.6
108.02187	1.9
109.02950	4.0
111.00883	1.8
113.02455	15.2
117.05583	3.4
118.98023	1.2
119.03491	6.2
119.05036	1.3
121.02946	10.7
123.00905	5.9
123.04569	5.7
124.01687	23.4
125.02465	79.6
126.02779	3.1
129.01936	3.5
133.02951	2.3
135.04500	4.7
137.02472	27.6
137.09692	1.3
138.06873	2.5
139.04037	1.5
139.07677	3.0
143.03499	3.0
144.04553	1.3
146.06145	2.0
149.02467	2.9
149.97781	3.9
149.99594	26.1
150.84663	1.2
151.00316	1.6
151.04013	11.5
151.07671	4.6
152.08456	8.8
152.89009	1.1
153.01939	2.5
153.09230	27.7
154.09579	1.7
159.02994	3.3
159.04343	1.3
161.02473	9.7
161.04553	19.7
162.02774	2.4
163.00421	1.5
163.04033	2.2
165.01967	2.1
165.97298	4.7
166.05116	1.6
167.03598	2.2
168.00652	70.3
169.01360	6.5
169.13615	1.2
172.04083	1.8
174.05620	1.2
175.03960	1.3
177.04126	1.5
179.03455	3.1
179.05637	10.9
179.98885	2.7
180.99690	1.2
189.09109	1.1
191.05571	6.0
192.05971	2.8
199.03978	1.5
204.06725	2.7
205.12395	11.4
205.96811	6.8
207.13921	1.4
209.02834	1.4
209.04651	1.6
209.96161	1.9
223.13394	16.3
223.97833	3.0
224.13715	1.8
227.03551	1.8
238.11043	1.3
248.05583	1.8
249.95813	12.5
253.13455	4.1
255.11371	1.4
267.96796	13.9
268.97104	1.5
285.04037	3.8
289.07166	4.9
295.10849	1.8
297.12506	11.6
298.12769	1.3
313.05658	2.7
327.13223	1.4
355.12912	12.7
356.13263	2.2
368.10721	2.1
385.18674	44.5
386.19031	5.3
394.92593	1.5
399.11896	14.2
413.01703	3.0
413.10529	2.8
420.06168	1.3
431.03232	25.1
431.12103	100.0
432.03235	2.5
432.11533	9.7
432.19882	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	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50469	0.6
53.35200	0.6
55.01908	0.7
57.03439	1.8
58.00575	0.7
59.01096	1.2
59.01376	19.1
61.98829	1.8
69.03424	0.6
69.52715	5.2
71.01380	16.6
72.99304	1.0
73.02944	12.3
75.00886	1.7
77.03938	0.6
83.01399	1.3
85.02965	3.0
87.00880	88.3
88.01228	1.7
89.02443	6.6
93.03468	4.8
95.01386	0.9
98.19887	1.2
99.00883	1.2
101.02436	5.6
103.04022	1.0
105.01943	2.9
107.05016	0.8
108.02253	0.7
109.02988	1.0
112.18823	0.6
113.02466	2.5
117.01956	0.8
119.03508	1.9
119.73399	0.6
121.02964	87.3
122.03303	2.9
123.04534	2.5
125.02457	9.4
131.03534	0.9
135.04533	78.0
136.01646	2.1
136.04872	3.4
137.02446	12.0
137.06084	0.9
138.01967	1.4
147.03006	1.7
147.04559	0.7
149.04550	1.4
151.04019	6.4
161.02478	1.5
161.04628	1.4
163.04013	8.1
165.01888	0.6
168.00662	0.9
175.03951	1.0
178.99681	0.7
179.03505	6.8
189.05591	1.2
191.05647	0.6
194.05595	0.8
201.87056	0.6
209.04562	1.4
223.06073	2.3
237.74185	0.6
239.05573	5.2
283.08359	0.7
289.07272	1.3
311.09814	2.8
371.09729	3.5
413.10886	1.2
431.11838	100.0
432.12057	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91990	0.1
59.01377	4.8
59.58371	0.1
61.98826	1.2
63.02412	0.4
65.00333	0.4
69.03450	1.6
69.74141	0.7
71.01389	1.0
73.02944	0.3
78.95901	0.4
79.01881	0.9
81.03474	0.2
83.01401	1.3
85.02958	0.6
87.00893	0.3
89.02447	0.4
91.01943	0.2
93.03457	1.6
95.01401	0.4
97.02945	1.0
99.00876	0.2
101.02439	0.6
107.01398	3.2
108.02207	0.3
109.02967	0.5
113.02477	0.5
117.03450	0.5
118.03841	0.2
118.98102	0.2
119.03509	0.2
119.35068	0.1
121.02966	7.5
122.03303	0.2
123.00871	0.7
123.04536	0.4
125.02459	2.8
130.04243	0.4
131.05045	0.3
133.02959	0.3
135.00891	2.7
135.04520	0.4
136.01471	0.2
137.02455	0.9
141.07152	0.2
143.05023	1.3
145.02957	0.6
145.06644	0.3
149.02368	0.2
151.00388	3.6
151.04070	0.2
153.01956	0.5
154.04250	2.0
155.05054	0.8
157.06622	0.6
158.03720	0.2
159.04506	1.3
160.05098	0.1
161.02437	0.5
161.04556	0.5
161.05920	0.2
163.00359	0.9
163.04021	0.3
165.01936	0.9
166.02722	20.8
167.03535	5.9
167.04997	0.8
168.03859	0.3
168.05792	0.5
169.01494	0.2
169.05203	0.3
169.06595	4.0
170.07002	0.2
171.04512	1.0
173.02431	1.2
173.06113	0.3
177.01990	0.5
182.03726	0.2
183.04527	1.0
184.05064	0.7
185.06088	3.3
186.06447	0.2
187.04018	2.6
188.04453	0.2
189.05569	2.1
191.03581	0.2
195.04462	0.7
196.05290	0.3
197.06078	0.2
198.03197	0.5
199.03979	0.4
200.02533	0.2
200.04320	0.2
201.05582	0.5
209.04546	0.8
211.03987	1.4
212.04587	0.8
213.02113	0.2
213.05548	4.1
214.02698	1.7
214.05914	0.3
215.03487	1.6
217.05116	0.3
227.03485	8.5
228.03804	0.8
229.05025	2.3
239.03455	1.2
240.04184	0.5
241.05028	1.2
243.03023	2.1
255.02960	11.1
256.03333	6.3
257.04526	3.9
258.05078	0.2
267.02896	0.3
283.02493	4.5
284.02921	14.4
285.04019	100.0
286.04379	8.1
339.07169	0.2
371.09799	11.0
372.10187	1.0
431.09705	30.1
432.09988	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	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28241	0.6
57.03439	1.7
59.01373	24.4
61.98819	2.9
70.00748	1.0
70.01145	1.6
71.01380	15.1
71.91093	0.5
72.99274	0.9
73.02949	8.0
73.39874	0.7
83.01393	1.2
85.02946	4.5
87.00869	2.7
89.02444	19.5
93.03461	28.1
94.03780	1.6
95.01366	1.3
99.00867	1.0
101.02442	9.4
103.04034	1.4
105.01926	2.1
107.05030	1.9
108.02167	1.9
109.02943	1.1
113.02489	4.7
116.55948	0.5
119.03483	1.9
119.05013	1.6
121.02981	4.4
123.04493	1.7
125.02473	5.1
131.02779	0.5
131.03511	4.9
135.04524	4.5
136.01669	15.5
137.02454	74.1
138.02777	3.2
149.02428	2.0
149.04509	2.3
151.03995	9.6
152.01180	0.8
153.01830	0.9
161.02420	1.1
161.04504	1.0
161.79854	0.6
179.03502	55.4
180.03859	3.0
191.05606	1.4
209.04568	9.5
209.08011	1.2
210.04770	0.7
218.29353	0.6
221.04695	0.7
239.05594	36.3
240.05836	2.1
281.06494	1.1
299.07770	6.2
311.09808	22.7
312.10031	1.2
341.08710	6.1
369.08182	0.7
371.13519	0.8
431.11807	100.0
432.12042	10.5
432.17072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.6
56.42037	0.6
57.03442	1.0
59.01381	23.3
61.98831	7.3
68.99786	0.5
69.53707	4.0
71.01383	17.4
72.99318	2.3
73.02952	6.8
74.27301	0.4
75.00875	4.1
83.01418	1.0
83.66965	0.5
85.02933	2.4
87.00883	24.1
89.02451	5.5
93.03481	2.0
93.19603	0.5
95.01382	0.6
98.19832	0.9
99.00893	14.2
101.02454	8.5
105.01947	46.3
106.02297	0.8
107.05080	0.6
113.02468	1.9
119.03520	1.6
121.02972	68.9
122.03326	1.9
123.04554	0.8
125.02472	2.4
131.03519	0.6
135.04543	49.8
135.23396	0.5
136.01698	0.8
136.04884	1.9
137.02463	4.0
143.69135	0.5
147.03023	8.5
151.04036	0.8
161.02496	0.6
161.04514	1.3
163.04010	5.6
179.03519	3.8
181.08702	1.4
209.04645	0.5
209.08115	4.1
212.63385	0.6
217.04999	0.6
223.06085	1.4
239.05554	2.0
269.10260	4.5
283.08264	0.7
299.07687	0.7
334.57678	0.5
371.13339	0.6
401.10684	1.1
431.11768	100.0
432.11978	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	431.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10023	0.3
57.03471	0.3
59.01378	1.5
60.99305	11.3
68.96752	0.3
71.01386	2.2
72.99310	0.5
73.02934	0.9
78.95901	0.3
83.01397	0.3
85.02947	1.0
87.00883	1.6
88.98810	100.0
89.02447	3.0
89.99142	1.2
93.03461	6.3
96.96040	0.4
96.96976	0.7
98.19897	0.6
101.02478	0.9
103.04031	0.4
108.02170	1.1
109.02986	1.0
113.02457	0.6
115.00330	0.4
117.01951	0.9
119.03499	0.4
131.03508	0.3
133.01392	0.7
136.01672	0.8
137.02460	13.1
137.03519	0.7
140.88615	0.3
147.02948	0.6
151.04013	0.4
152.01147	1.2
153.01898	1.0
179.03505	3.1
209.04512	0.4
239.05630	2.2
299.07822	1.2
311.09845	1.2
312.01874	0.3
381.61511	0.4
395.34824	0.4
431.11737	8.5
432.12073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98820	1.7
69.03458	0.7
70.33532	1.0
71.01376	1.7
73.02933	0.6
85.02947	0.8
87.00860	0.6
88.98810	1.2
89.02461	1.5
93.03461	46.9
94.03796	1.4
95.01389	0.3
101.02455	1.1
101.99029	0.2
102.33405	0.2
105.01881	0.3
108.02168	0.5
109.01683	0.3
109.02956	0.8
113.02470	0.8
113.09544	0.2
121.02975	1.0
125.02415	1.2
131.03497	0.7
135.04541	0.6
136.01648	0.8
137.02452	100.0
138.02797	3.8
149.04601	0.2
149.06085	1.2
151.04028	0.9
152.01198	0.3
153.01909	0.5
167.13341	0.3
179.03510	3.4
183.04814	0.3
184.73253	0.3
184.74908	0.3
209.04576	0.9
209.08037	0.3
220.14098	0.3
239.05606	2.4
240.05832	0.3
281.06433	0.4
295.17181	0.3
299.07693	8.8
300.08029	0.7
311.09827	0.6
341.08817	0.5
354.85193	0.3
431.11823	13.7
432.12296	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	431.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10860	0.2
59.01376	9.6
61.98826	1.0
63.02392	0.6
65.00323	0.4
69.40649	0.7
69.41072	0.8
70.03886	0.2
83.01383	0.5
89.02446	1.1
91.01904	0.2
93.03465	1.4
101.02443	0.7
107.01391	2.1
109.02975	0.6
113.02454	0.4
117.03405	0.3
119.03490	0.6
121.02957	0.3
123.00868	0.3
125.02396	0.4
131.04993	0.2
132.02173	0.9
135.00879	1.7
137.02441	0.3
143.05009	0.6
145.03061	0.3
151.00383	1.1
153.01979	0.5
154.04288	0.4
155.04999	0.3
157.06580	0.7
159.04501	1.5
161.04556	0.4
163.00395	2.3
164.01173	0.4
165.02010	0.3
167.05019	0.6
169.06653	0.9
171.04451	0.4
173.06142	0.2
179.05591	0.4
182.03772	0.3
183.04489	1.1
184.05238	0.3
185.02336	0.4
185.06126	2.2
187.04008	2.9
189.05542	0.9
190.99933	0.2
195.04474	0.4
196.05273	0.3
197.06041	0.8
199.03990	1.1
200.04807	0.2
201.05519	0.6
211.03993	2.9
212.04736	0.3
213.05534	2.0
214.02592	0.3
215.03630	0.4
223.03979	0.2
226.02699	0.2
227.03491	44.8
228.03845	3.5
229.05048	9.6
230.05344	0.7
239.03455	1.9
240.04230	0.9
241.04990	1.5
243.02994	0.5
247.56424	0.2
255.02972	63.2
256.03522	8.6
257.04544	5.8
258.04926	0.5
267.02930	0.7
283.02396	0.5
284.03256	59.2
285.04013	100.0
286.04379	7.0
327.04953	0.5
371.20773	0.6
431.09824	57.6
432.10132	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	430.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89629	0.7
59.01373	8.0
59.95826	0.8
60.75078	0.8
61.98827	100.0
62.27363	0.8
64.04947	0.7
71.01398	1.1
71.59389	1.1
74.21604	0.8
78.95896	1.0
80.80244	0.8
88.98825	1.0
95.96636	0.7
103.39834	0.8
127.61864	0.7
144.48724	0.8
241.01520	1.2
255.03047	0.9
284.03134	1.5
285.03925	1.5
430.25604	1.0
430.30447	2.7
431.10376	1.5
431.32190	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	430.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72908	0.8
59.01380	9.5
61.98829	100.0
70.44379	1.1
85.03004	0.9
86.93528	0.9
92.42377	0.9
114.09338	0.9
143.71777	0.9
145.02959	1.3
211.04088	0.9
230.20145	0.9
285.04065	2.5
353.42065	1.1
360.88492	1.0
430.26624	3.0
431.10324	1.4
431.27646	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0983
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.53703	0.3
59.01383	6.0
59.98513	0.2
61.98831	25.8
63.02396	9.3
64.39723	0.3
65.00322	5.2
71.01380	2.0
83.01389	8.1
85.02946	0.7
89.02469	0.9
93.03481	0.9
95.01405	1.6
95.52597	0.3
98.20694	0.5
101.02414	1.4
107.01398	18.2
108.69962	0.3
113.02469	0.8
117.03519	0.4
119.03503	0.3
119.05006	0.6
120.02181	0.4
121.02947	0.6
123.00894	0.9
123.04507	1.7
132.02216	1.7
133.02945	0.5
135.00883	0.4
136.01663	0.7
137.02489	0.6
143.05061	1.1
145.02951	1.7
147.04572	1.5
149.99625	1.1
151.00385	46.7
152.00711	1.7
155.10796	1.0
161.04565	0.5
163.00395	2.6
164.01154	3.4
165.01898	0.3
168.99991	0.4
169.01437	8.6
169.06606	0.7
170.01691	0.6
171.04536	0.8
185.06084	4.7
187.04030	0.5
189.05637	0.7
192.00647	0.3
196.00084	0.5
198.03290	0.3
199.04042	0.6
200.04764	0.3
209.06068	3.7
211.04051	0.9
212.04851	0.6
213.05580	5.2
215.03526	0.4
227.03484	1.7
228.04190	0.8
229.05035	4.6
230.05391	0.5
231.49599	0.3
240.04294	1.5
241.05000	2.7
248.51610	0.3
255.02972	2.5
256.03445	1.5
257.04532	24.4
258.04874	1.8
283.02484	1.3
283.99841	0.5
284.03232	40.8
285.04016	61.0
286.04410	4.9
327.05194	0.3
371.20847	1.1
431.09824	100.0
432.10138	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	429.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77680	0.9
54.19044	0.8
57.03444	1.0
57.73831	0.9
59.01379	30.1
60.99295	1.1
61.98819	3.8
71.58369	1.3
73.02959	4.4
80.54417	1.0
101.02499	1.1
111.18288	1.2
114.72978	1.1
139.69611	0.9
221.08258	2.7
261.84604	1.0
269.22595	1.4
291.72144	1.0
321.22336	1.3
323.23886	3.1
351.23325	7.4
352.23636	1.3
368.22372	1.1
369.24341	60.0
370.24707	8.1
429.26413	100.0
430.26749	14.3
439.13693	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2648
Annotation	Gordonoside A
Peak:m/z	Relative Intensity
54.19146	0.2
57.00274	0.2
57.03517	0.7
59.00973	0.9
59.01118	1.8
59.01440	22.6
60.01763	0.4
60.99371	1.0
61.98862	0.4
69.91564	0.2
71.05051	0.3
73.03027	2.3
78.95991	0.9
79.98222	0.2
83.52959	0.2
85.36350	0.3
90.61720	0.2
148.15746	0.2
221.08290	0.3
229.35374	0.3
253.19658	0.7
269.22787	2.1
283.20709	0.6
291.21002	0.3
293.19113	0.3
295.20630	0.6
305.22824	0.5
305.68753	0.2
307.20731	0.5
307.24368	0.8
321.22116	1.5
323.23807	2.9
325.25198	0.5
335.20242	0.3
351.23291	10.4
352.23721	1.2
367.29929	0.3
369.24353	71.2
370.24689	9.6
387.25348	0.3
421.28152	0.3
429.26392	100.0
430.26743	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	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.4
58.00572	0.4
59.01377	100.0
60.01713	1.1
61.98825	1.1
69.33353	3.0
71.01386	12.1
73.02946	0.6
73.39529	0.3
83.01381	0.5
85.02956	2.7
87.00884	0.5
89.02449	17.0
95.01389	0.8
101.02451	5.0
101.03080	0.4
113.02448	5.3
119.03526	6.0
131.03528	1.0
137.09773	1.3
137.96823	0.4
143.03510	1.7
150.32664	0.3
161.04585	1.6
179.05637	4.2
183.04558	0.9
244.96144	0.3
255.03009	2.8
283.02490	5.8
297.13513	0.5
318.68805	0.4
430.09033	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65003	0.2
57.03442	0.2
59.01376	100.0
60.01715	1.0
61.98830	0.8
64.32043	0.2
69.42826	1.5
71.01383	5.2
71.68994	0.1
72.99321	0.5
73.02953	0.4
75.00870	0.4
81.03457	0.2
83.01402	0.2
85.02937	1.3
85.06596	0.4
87.00865	0.3
89.02446	5.7
93.03475	0.3
95.01388	0.5
99.00875	0.3
101.02465	2.5
105.51581	0.2
108.02184	2.7
109.02988	2.7
113.02464	2.1
118.03793	0.2
119.03517	1.8
121.02956	0.3
131.03494	0.4
131.07173	1.0
135.04518	0.2
137.02464	0.2
143.03513	0.9
145.02913	0.9
146.03288	0.4
147.03413	0.2
152.01164	3.0
153.01938	2.1
161.04530	1.0
173.04591	0.2
179.03424	0.2
179.03976	0.2
179.05627	2.7
191.05562	0.6
207.13586	0.2
232.84026	0.2
255.02998	0.8
255.06175	0.1
283.02560	1.6
342.88055	0.2
381.33588	0.2
417.84979	0.2
429.13727	5.4
429.21060	0.6
429.25983	0.3
430.08609	0.5
430.14352	0.6
430.80243	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1401
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
59.01374	4.7
62.56479	0.2
70.47280	0.2
70.49936	0.8
71.01386	3.7
73.02939	0.9
83.01418	0.4
83.26060	0.2
85.02948	1.5
87.00861	0.4
89.02444	3.0
91.39520	0.2
93.03455	0.4
101.02451	2.8
113.02432	1.3
117.03478	22.1
118.03822	0.8
118.31303	0.3
119.03584	0.5
119.05036	12.2
120.05412	0.4
121.03008	0.3
121.05091	2.0
122.03746	0.5
123.04514	0.6
125.02422	0.2
131.79092	0.2
133.02957	1.9
133.06577	0.5
135.04536	0.6
145.02963	100.0
146.03294	4.7
161.02466	5.4
161.04655	0.6
161.06104	1.5
163.04018	22.3
164.04317	1.0
172.84972	0.2
177.05556	0.4
179.03555	0.3
205.05037	1.5
205.44717	0.3
209.54967	0.3
265.07175	0.9
302.83072	0.3
307.08185	0.4
315.07126	0.3
429.14005	58.3
430.14310	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.3
57.03432	3.9
58.00579	1.2
59.01377	39.5
61.98823	15.5
67.01895	1.1
68.99807	1.9
69.03446	1.6
71.01383	24.9
71.04990	1.0
71.21638	1.9
72.99309	7.8
73.02934	3.3
75.00874	26.4
83.01369	1.9
85.02952	24.2
87.00879	8.8
89.02446	7.1
90.75719	0.9
95.01389	6.9
95.75932	0.9
97.02995	1.0
98.19830	0.8
99.00887	12.8
99.04533	1.0
101.02424	2.2
103.00365	3.6
109.02966	2.2
111.00872	2.0
113.02453	33.6
113.03239	1.7
115.00375	3.0
117.01949	3.6
119.03497	1.3
121.03069	1.1
125.02470	1.5
129.01912	2.6
135.11810	9.1
137.02431	2.5
139.00444	1.3
149.09764	1.3
157.01355	1.4
161.04515	1.1
163.00334	3.4
164.01097	3.9
165.01930	1.8
175.02443	4.3
179.10780	36.9
180.11099	1.8
231.05005	4.6
249.06133	47.7
250.06450	1.9
261.07513	2.3
267.07071	2.2
267.16016	2.4
272.09869	0.8
281.64264	0.9
283.02515	1.2
292.09399	1.2
293.10266	1.4
298.05099	0.9
321.52438	1.0
369.15530	1.4
411.16391	4.0
429.17529	100.0
429.26578	2.7
430.17801	11.5
453.08823	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90043	0.4
57.03443	0.8
58.00590	0.7
59.01378	100.0
60.01702	1.0
61.98830	6.3
65.00330	0.6
69.03467	0.5
69.26342	4.5
69.26753	1.2
71.01379	11.1
72.99307	0.7
73.02960	2.1
73.30547	0.4
75.00872	0.5
83.01394	1.0
85.02961	3.4
87.00866	0.8
89.02452	11.5
93.03470	2.1
95.01389	0.6
101.02454	6.6
101.03101	0.5
107.01419	0.9
108.02209	0.4
109.02978	0.8
113.02460	4.8
117.03516	1.3
119.03509	4.7
125.02474	1.1
135.08246	0.6
135.11829	0.6
137.02469	3.2
143.03546	0.7
149.04649	0.6
151.00397	1.0
155.04942	0.6
159.04575	0.6
161.04579	2.4
179.05647	2.8
179.10799	2.3
180.11072	0.4
181.12375	0.5
183.04491	4.4
183.05731	0.4
183.10390	0.7
185.02499	0.6
207.06618	0.6
211.04062	1.8
223.08264	1.3
227.03595	1.9
255.02971	27.7
267.16098	1.8
283.02469	50.9
325.03558	1.1
369.19217	0.5
395.30084	0.4
429.08426	1.3
429.17084	1.7
429.22260	5.5
430.09055	28.9
430.21860	0.9
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
54.86709	0.1
58.00591	0.5
59.01376	100.0
60.01718	0.9
61.98836	0.4
69.03434	0.2
69.24754	0.8
69.25182	0.9
71.01380	6.2
72.99316	0.6
73.02965	0.2
75.00880	0.4
85.02958	1.2
87.00880	0.5
88.53228	0.2
89.02450	8.8
90.02777	0.2
93.03483	0.4
95.01410	0.3
98.20741	0.2
99.00897	0.2
101.02457	3.1
101.03116	0.2
110.11614	0.1
113.02451	2.5
114.02907	0.2
119.03515	3.5
120.38786	0.2
121.02970	1.2
131.03531	0.4
135.04543	0.3
137.02481	0.5
143.03477	1.0
145.05170	0.3
149.04575	0.4
153.01990	0.2
161.04576	0.7
163.04041	0.2
163.06137	0.2
177.04065	0.2
179.05609	2.2
191.61977	0.2
207.06651	0.2
249.06325	0.2
267.61496	0.2
282.01157	0.2
283.02615	0.2
308.72256	0.2
369.50647	0.2
391.40955	0.2
429.13602	1.2
429.21768	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03441	1.6
59.01376	100.0
59.59598	0.5
59.64801	0.4
60.01722	1.3
61.98832	4.6
69.03459	0.6
69.42567	3.8
71.01385	12.4
72.99314	1.8
73.02951	2.0
75.00876	4.4
83.01412	1.1
83.05042	0.6
85.02955	4.4
87.00858	2.6
89.02442	12.0
93.03481	2.1
95.01443	0.8
99.00904	2.1
99.04541	0.6
101.02442	6.7
108.02179	1.4
109.02962	1.1
113.02457	5.7
119.03522	3.7
119.05052	1.6
121.02950	2.7
125.02451	1.5
129.01967	1.7
131.03516	0.6
135.04549	1.6
137.02469	3.2
138.02850	0.5
143.03493	0.7
145.02995	1.7
147.04585	0.6
151.04004	0.8
153.01913	0.5
160.01682	0.9
161.02480	1.0
161.04565	1.9
163.04047	1.5
173.04579	1.2
177.04131	2.3
178.16461	0.5
179.05649	2.6
179.10797	1.4
191.05597	1.1
200.57404	0.5
223.13559	0.6
249.06171	1.2
255.03075	1.4
267.12335	1.1
283.02570	2.3
297.13547	1.2
325.10529	2.0
336.60513	0.6
373.56244	0.6
374.45401	0.6
397.10565	0.6
429.13873	2.7
429.17355	1.9
429.21561	2.6
430.08820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32782	0.6
57.03456	1.6
58.00610	1.3
59.01376	34.9
61.98833	5.8
69.03485	0.8
70.29582	0.8
71.01384	20.0
71.05054	1.7
71.56932	1.3
72.99339	2.7
73.02963	2.7
75.00871	6.0
83.01411	2.3
83.26263	0.7
85.02945	6.5
87.00910	2.4
89.02449	11.1
92.02726	0.8
93.03465	42.7
94.03831	1.6
95.01408	3.2
97.02981	0.8
99.00905	3.0
101.02455	11.8
102.98594	1.2
107.05060	2.0
108.02202	3.2
109.02979	1.7
110.48512	0.7
111.00860	0.8
113.02461	8.1
117.03446	1.0
119.03524	5.6
119.05045	1.2
121.02971	4.7
123.04482	0.7
125.02458	2.8
129.01945	1.5
133.02974	2.0
135.04530	10.1
136.01678	18.8
137.02461	100.0
138.02827	4.4
139.00383	1.5
143.03514	1.1
145.02995	3.7
147.06648	3.4
149.02469	4.1
151.04015	10.0
152.01234	1.8
161.02457	3.2
161.04526	1.5
162.02829	0.9
163.04015	1.8
163.11301	1.6
165.09091	1.0
173.04503	1.9
177.04044	1.8
178.71570	0.9
179.03508	73.4
179.10825	2.1
180.03831	2.8
190.95667	0.7
191.05675	1.7
193.05067	0.8
197.06110	1.1
205.05048	1.8
209.04547	12.8
223.48618	0.7
239.05597	48.3
240.05907	3.3
249.06158	2.1
255.02847	3.2
267.07040	0.8
283.02411	5.0
299.07782	4.5
309.08542	1.5
309.11899	22.4
325.10217	3.3
409.42917	0.7
429.13705	96.2
429.48389	0.9
430.09485	0.8
430.14175	9.3
450.26547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67840	0.2
57.03425	0.3
59.01378	6.5
61.98821	1.6
64.71204	0.2
69.08009	0.2
71.01373	1.7
71.59563	0.4
73.02954	0.3
75.00888	0.5
80.48003	0.2
85.02954	0.7
87.00873	0.7
89.02444	1.2
93.03459	0.8
98.96256	0.2
101.02436	0.6
107.15521	0.2
109.02949	0.3
111.00857	1.6
113.02454	0.5
117.03476	0.3
117.30050	0.2
118.58541	0.2
119.05040	100.0
120.05369	4.3
121.02934	0.6
137.02455	1.0
145.03015	0.3
147.04495	0.3
153.01895	0.3
159.97310	0.2
161.04588	0.2
163.04021	79.3
164.04361	3.9
165.01901	1.9
179.05431	0.2
195.05165	0.3
197.04517	0.5
213.41568	0.2
218.81158	0.3
255.02925	0.9
283.02411	1.1
394.04880	0.3
429.12070	0.4
429.21439	2.9
429.26370	0.6
430.09149	0.7
430.21640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.3
59.01376	30.1
60.01709	0.4
61.98828	0.9
70.25964	0.3
71.01383	2.5
71.48839	0.1
72.99299	0.2
75.00874	0.1
75.36786	0.1
83.01385	0.1
85.02953	0.4
87.00883	0.1
89.02449	2.6
89.03966	0.1
93.03458	0.2
95.01432	0.1
99.00900	0.2
101.02462	1.0
103.79428	0.1
113.02477	0.8
117.03479	24.7
118.03816	0.9
119.03642	0.9
119.05035	6.4
120.05395	0.2
121.02969	5.6
122.03300	0.1
125.02498	0.1
131.05038	0.3
132.05844	0.2
133.06636	0.6
135.04543	4.7
136.04843	0.3
143.03534	0.3
145.02969	100.0
146.03305	5.1
158.03726	0.2
159.04527	1.0
161.04613	0.3
161.06111	1.2
163.04030	10.0
164.01251	0.1
164.04340	0.6
173.06090	0.1
177.05463	0.2
179.05600	0.8
187.04027	4.0
188.04376	0.3
197.40604	0.1
205.05055	0.5
239.78125	0.1
247.06119	0.2
302.49515	0.1
307.08112	0.2
318.38168	0.1
369.09848	0.2
369.19070	0.2
429.11905	2.7
429.20880	0.2
429.25943	0.3
430.12167	0.5
436.43854	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	427.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01707	1.1
61.98835	2.1
64.05573	0.5
66.50885	0.5
70.94068	1.2
71.01376	0.5
75.03407	0.6
86.83525	0.5
91.04022	3.5
97.06618	0.8
120.57673	0.4
176.82513	0.5
195.13931	0.6
221.29378	0.5
241.30861	0.5
275.20178	1.4
286.27988	0.5
293.21207	13.9
293.24313	0.9
294.21631	1.2
409.27481	0.6
427.28513	13.7
428.29080	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	427.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71056	0.8
55.01875	2.1
57.03446	1.7
58.00578	1.3
59.01379	40.9
60.39709	0.8
61.98833	20.9
69.32003	9.1
71.01384	31.0
72.99310	2.4
73.02953	14.6
75.00882	1.7
82.02993	0.9
83.01415	6.5
85.02963	14.8
85.06584	0.9
87.00867	2.0
87.04538	1.7
88.98812	5.1
89.02449	13.8
95.01382	1.8
97.02985	1.4
99.00892	5.4
101.02456	30.3
108.02168	1.2
109.02966	1.6
111.00902	1.9
113.02461	13.4
115.92097	1.1
116.92925	0.9
117.05588	1.4
119.03503	2.0
119.05025	1.5
125.02505	2.0
129.01907	1.1
131.03516	11.9
131.07162	7.7
133.02992	1.0
135.04559	1.1
137.02467	1.1
143.03529	2.1
156.30351	1.0
159.03021	2.5
161.04602	12.1
163.04019	1.9
173.04572	2.4
176.04785	0.9
177.01845	1.0
179.05516	1.6
191.05603	2.5
193.81358	0.8
201.78152	0.8
235.11859	42.4
236.12236	3.0
242.40855	0.8
269.34421	0.9
305.38861	1.0
321.85846	0.8
367.16022	100.0
367.19778	7.9
368.16434	8.0
409.08261	1.8
432.62402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65711	0.4
53.69391	0.5
54.15664	0.5
55.01865	0.5
57.03444	1.5
57.95614	0.4
58.00599	1.7
59.01377	100.0
59.53263	0.5
60.01711	1.1
61.98826	6.0
70.38926	1.4
71.01382	29.7
71.79482	0.4
72.99305	2.1
73.02951	3.0
75.00874	0.9
83.01403	1.5
85.02960	5.2
87.00892	1.9
89.02451	36.6
93.03435	1.2
95.01397	2.1
96.95976	0.9
99.00913	1.4
101.02453	15.4
105.07160	0.5
109.02938	0.5
111.00883	0.7
111.08105	0.5
113.02463	11.9
117.03484	1.8
119.03518	12.8
119.05006	1.1
121.02974	2.4
125.02469	0.8
131.03502	1.8
132.02184	4.6
133.02942	1.6
134.03748	3.7
135.04527	1.1
135.06650	0.6
137.02444	1.6
143.03520	3.2
145.02943	5.1
147.04530	15.6
149.00710	0.7
149.04556	1.8
150.11575	0.5
155.08261	0.7
160.01671	21.1
161.02336	2.3
161.04572	5.3
161.06067	1.5
163.03978	1.3
175.04013	25.7
176.04305	1.6
179.05620	12.9
187.11305	18.9
187.12773	0.5
188.11638	1.4
189.05501	0.6
190.80914	0.5
192.99663	0.9
193.05107	4.0
193.12415	0.9
203.14174	0.7
205.12277	0.7
209.11792	1.2
242.10747	0.5
328.12775	0.5
354.52374	0.6
364.47849	0.5
400.23071	0.6
427.15991	26.2
428.16498	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	427.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.7
56.66785	0.7
57.03446	2.6
58.00575	1.3
59.01379	39.3
60.01703	0.8
61.98829	2.5
69.03469	0.9
69.73734	1.6
69.74145	3.6
71.01387	32.6
72.01723	1.0
72.99308	1.0
73.02956	14.0
83.01386	8.1
85.02960	18.6
86.03316	0.7
87.00852	1.7
88.98805	1.5
89.02448	4.5
93.03442	0.7
93.20461	0.8
95.01384	1.6
99.00895	6.8
101.02456	40.4
110.68293	0.8
113.02466	15.9
114.02782	0.9
115.07648	0.9
125.02473	1.3
125.84389	0.7
129.01970	1.1
131.03505	1.7
143.03500	2.1
143.07123	0.7
159.03003	2.4
161.04582	15.3
173.04552	0.8
235.11876	100.0
236.12219	5.4
367.16101	74.4
367.22763	1.1
368.16403	7.6
394.01556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03451	2.1
58.00589	2.2
59.01379	100.0
60.01705	1.5
60.99304	2.9
61.98833	34.9
71.01386	37.6
71.63255	1.5
72.99323	3.2
73.02948	16.7
74.08653	0.8
75.00895	2.2
78.95895	2.6
83.01379	7.9
85.02957	19.1
85.03453	1.5
87.00883	3.1
87.04555	1.0
88.98816	21.6
89.02449	19.6
93.03465	3.2
95.01414	2.2
96.97024	1.3
99.00901	6.7
99.92568	1.2
101.02455	40.6
102.02844	1.4
109.02950	1.1
111.00915	1.0
111.04513	1.1
113.02461	18.7
115.92093	1.9
116.92873	1.0
117.05599	3.2
119.03505	5.1
119.05032	7.4
121.02962	1.2
123.00893	1.0
125.02454	2.0
129.01982	1.0
131.03522	46.3
131.07144	3.7
132.03825	1.3
133.01575	0.9
134.03674	1.0
135.04532	1.2
137.02458	2.3
139.00374	1.0
143.03554	3.2
145.02953	2.4
147.04529	1.0
155.03535	1.4
159.03017	3.8
161.04597	14.6
161.06053	2.8
163.04027	13.7
164.04486	1.6
173.04546	3.4
175.04019	2.2
179.05606	2.6
191.04044	1.2
191.05661	7.2
205.05070	3.4
205.14392	5.4
235.11868	87.5
236.12296	4.5
251.11363	1.5
265.07153	3.0
337.09256	4.5
367.16000	27.7
367.19858	28.8
368.16235	2.3
368.20126	3.3
409.08142	1.0
427.17340	1.8
427.25146	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01714	1.1
61.98835	3.0
71.01379	0.6
71.32214	0.5
73.02956	0.7
75.00897	0.3
85.02962	0.4
89.02461	0.6
93.03472	0.4
100.91009	0.2
101.02469	0.4
106.13335	0.3
121.02969	35.7
122.03310	1.3
125.02453	0.5
137.02460	0.3
145.02951	0.5
147.04518	0.7
148.05339	1.3
161.04541	0.4
163.03995	0.3
163.07651	1.4
168.00691	0.4
235.13304	0.4
247.13397	0.8
265.14450	0.8
409.12924	0.3
423.08307	0.2
427.11710	0.5
427.19626	1.4
427.24652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32961	0.3
59.01377	100.0
60.01702	1.5
61.54709	0.3
61.98832	3.7
71.01380	0.7
75.00885	0.4
85.02970	0.4
88.42979	0.3
93.03450	0.5
98.20634	0.9
101.02435	0.5
113.02445	0.4
121.02968	40.0
122.03246	1.4
125.02417	0.7
137.02451	0.6
145.03008	0.3
147.04510	0.9
149.99571	0.4
151.04022	0.3
157.66602	0.3
163.07642	0.5
167.14571	0.3
168.00626	0.8
190.44243	0.3
205.12402	0.4
230.12610	0.3
230.14775	0.3
235.13330	0.5
247.13435	0.7
265.14334	1.3
266.09296	0.3
276.34595	0.3
310.14319	0.3
427.20059	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	80.9
58.03800	1.5
59.01377	100.0
60.01706	1.1
61.98833	1.6
65.07555	0.9
69.64280	7.5
71.01381	17.4
73.02956	3.9
75.00883	2.1
81.03457	1.0
83.01385	3.3
85.02966	5.5
89.02440	11.8
91.10473	1.0
95.01410	2.5
99.04527	72.9
100.04852	1.2
101.02459	21.5
101.03539	1.2
107.01373	0.9
113.02474	10.9
114.02760	1.0
119.03531	4.2
123.04508	1.3
125.02454	34.2
125.03338	2.2
133.02959	1.2
137.02516	1.2
143.03526	2.5
145.02930	1.2
147.04515	11.0
151.00439	3.0
160.01680	2.3
161.02457	6.5
161.04553	3.2
161.05962	1.2
172.79822	1.0
175.04053	2.9
179.05653	2.7
185.16179	1.0
197.14159	1.0
201.12836	1.8
202.13264	1.1
265.14612	1.3
282.69348	1.2
306.96136	1.1
309.78079	1.0
335.40231	1.2
361.57993	1.2
427.11655	2.4
427.15732	5.0
427.24680	1.5
428.16537	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.00593	1.3
59.01378	98.1
61.98824	2.3
71.01384	18.3
72.99306	1.4
73.02965	1.9
81.03445	2.7
83.01386	1.6
85.02963	4.5
85.60428	1.4
89.02449	15.5
98.19886	2.3
99.04527	84.9
100.04868	2.8
101.02454	27.6
113.02470	15.6
118.31780	1.4
119.03512	5.3
119.05052	1.6
125.02459	35.4
137.02466	1.5
143.03439	3.4
147.04552	5.1
151.00339	2.1
159.04478	1.4
161.02473	3.1
161.04550	2.9
175.03973	1.5
179.05621	3.6
202.13327	1.7
307.98315	1.4
427.16043	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.2
57.03443	1.2
58.00574	1.6
59.01379	39.8
61.98832	10.2
64.35794	1.0
69.79284	5.5
69.79701	2.3
71.01390	24.1
72.99307	1.5
73.02916	4.7
82.03001	1.3
83.01352	3.7
85.02969	8.7
87.00855	2.4
89.02453	19.3
93.03472	33.4
95.01360	4.3
98.97341	1.1
99.00821	3.2
101.02456	22.1
104.27209	1.1
108.02186	10.6
109.02982	7.7
111.04423	1.0
113.02480	12.5
115.92074	1.1
117.02654	1.1
117.03475	18.1
119.03569	7.7
119.05044	23.2
121.02988	6.3
125.02429	2.0
127.03978	2.4
129.05591	1.2
131.03403	1.8
133.02954	11.9
133.06610	7.4
134.03770	1.5
135.04539	12.3
136.01675	9.7
137.02466	68.1
138.02780	2.0
143.03474	1.8
145.02969	76.7
145.70964	1.1
146.03255	3.3
149.02438	1.7
149.06046	2.9
151.04030	5.0
152.01176	9.3
153.01828	3.6
160.01611	4.2
161.02461	35.5
161.04530	3.8
161.06012	14.4
162.02811	2.1
163.04030	30.9
164.03461	3.8
173.04491	3.0
175.03937	2.5
177.05553	10.7
179.03514	44.5
179.05174	2.5
180.03716	2.7
191.03516	1.4
191.05550	2.6
191.07147	1.2
193.04947	2.2
205.05080	13.5
209.04593	8.9
221.04602	6.7
231.94255	1.1
235.05968	5.5
239.05580	26.0
249.13277	2.0
251.05576	8.0
265.07181	9.4
281.06693	7.9
281.08987	42.2
282.09116	2.4
288.10452	2.0
295.08032	1.3
299.07687	7.2
304.16998	1.1
307.10385	5.3
325.09033	1.4
341.08575	4.5
364.12076	2.0
367.10013	2.1
381.17487	3.0
383.13519	13.5
409.11121	1.7
425.28751	1.2
427.12100	100.0
428.12234	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	427.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
56.72797	0.4
57.03447	0.6
59.01377	14.6
60.01706	0.4
61.82343	0.4
61.98840	1.6
66.79420	0.5
69.03454	2.7
70.74860	1.0
70.75212	0.8
71.01392	2.9
73.02946	0.7
77.46458	0.4
81.03450	0.8
83.01409	1.5
85.02967	1.3
87.00866	0.5
89.02462	0.9
95.01403	2.0
97.02982	2.6
97.03503	0.4
99.00916	0.6
99.04519	0.7
101.02464	1.6
107.01402	1.2
109.02941	0.5
112.11523	0.5
113.02494	0.9
114.64254	0.4
121.02979	1.6
123.00905	7.0
124.01688	19.3
125.02467	67.3
126.02798	2.0
130.60832	0.5
135.04549	1.2
137.02461	3.3
148.05322	1.4
149.02440	0.5
149.99606	34.4
151.00327	2.5
159.03134	0.5
161.04622	0.5
161.09642	0.4
163.04221	0.6
163.07716	1.2
165.01892	0.6
167.03522	1.1
168.00664	68.9
169.01343	4.9
175.61890	0.4
179.10765	0.7
186.75539	0.4
219.13913	1.3
265.14465	2.7
267.63367	0.4
287.07785	0.7
313.05832	2.1
314.06061	0.6
331.06711	3.7
383.05652	0.6
409.11340	3.9
427.12433	100.0
428.12756	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	425.1813
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
57.03447	1.7
58.00582	3.1
59.01376	58.0
61.98834	6.1
69.25013	10.8
71.01384	33.7
71.05022	1.5
72.99310	2.9
73.02999	1.1
75.00858	2.0
78.95911	1.1
82.95287	1.1
83.01403	2.3
83.05023	3.9
85.02954	8.3
87.00871	2.1
88.04058	1.0
89.02447	28.9
93.03458	2.4
95.01385	1.7
97.02948	1.1
99.04549	2.4
101.02460	19.2
113.02471	12.7
115.00394	1.7
117.03486	9.3
117.07155	2.8
119.03541	9.2
119.05019	10.8
119.08710	2.3
121.02983	1.9
123.08156	1.0
133.02953	1.2
133.06619	3.1
135.04578	1.2
137.02478	4.3
143.03517	1.1
145.02966	35.0
145.06639	4.1
146.03336	2.1
147.04572	1.4
159.11839	5.1
161.02487	5.2
161.04721	2.3
161.06126	6.8
163.04019	15.8
165.04088	2.1
166.10014	1.1
168.00609	1.0
171.08156	9.0
172.08549	1.3
173.09770	2.0
174.35530	1.0
175.04063	1.4
176.56108	1.0
177.05641	3.0
179.05653	2.2
183.11873	1.7
185.09720	5.9
186.10504	33.5
187.04070	1.2
187.10989	1.7
189.12894	4.2
191.05585	1.4
199.11290	4.6
199.25514	1.0
201.12852	100.0
202.13136	7.3
205.05008	9.5
206.05411	1.3
233.11806	2.1
235.06181	8.4
245.11804	79.0
246.12111	8.0
265.07120	16.2
269.61011	1.0
425.18362	64.9
426.18954	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	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01374	25.9
61.98826	3.5
69.03448	3.0
69.46161	0.7
69.46581	3.6
71.01379	4.4
72.99322	0.8
73.02946	1.1
75.00898	0.6
81.03441	1.0
83.01398	1.9
85.02937	2.7
89.02454	3.3
93.03464	1.6
95.01392	1.9
97.02959	3.7
101.02450	3.6
107.01392	1.2
109.02972	1.0
113.02447	2.4
113.06149	0.5
115.05708	0.5
117.03485	1.3
119.03510	1.4
121.02966	12.4
122.03275	0.5
123.00896	5.9
123.04505	0.5
124.01678	18.0
125.02456	64.0
126.02821	2.2
135.04521	8.8
137.02446	4.3
143.07123	0.5
145.02921	0.8
147.04532	0.8
149.02457	0.7
149.06053	0.8
149.99593	33.2
151.00418	3.3
151.04004	0.7
153.01933	1.8
155.10759	0.6
159.04532	1.2
161.02454	0.4
161.04527	1.8
161.05951	0.7
163.03983	2.4
165.02010	0.8
167.03500	0.8
168.00647	60.7
169.01379	5.4
173.34972	0.5
177.01822	0.6
177.05519	0.7
178.99876	0.7
179.03423	0.5
179.10753	0.8
181.01463	1.6
192.37570	0.5
193.01546	0.5
195.03088	0.7
203.07167	0.5
223.06013	0.6
247.05992	1.3
265.14536	0.7
309.11780	1.4
313.05753	2.3
331.06778	2.3
347.22165	0.5
409.11282	3.6
427.12234	100.0
427.65851	0.7
428.07251	0.7
428.12540	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	425.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54922	0.3
57.71590	0.3
59.01372	8.5
61.98830	2.8
69.50565	1.5
69.50998	1.4
71.01379	5.6
71.01706	0.5
72.99313	0.5
73.02971	0.8
76.53552	0.3
83.01418	0.6
85.02976	1.6
87.00884	0.5
87.78252	0.4
89.02446	3.8
93.03498	1.5
95.01426	0.5
98.20686	0.9
99.00890	0.5
101.02431	3.6
113.02441	2.3
117.03475	16.0
118.03824	0.6
119.03565	1.1
119.05035	17.7
120.05392	0.7
121.02959	2.1
123.04517	0.4
125.02429	0.9
131.04988	0.5
132.02193	0.6
132.05849	1.3
133.03000	0.7
133.06618	5.1
134.03741	0.8
134.06873	0.5
135.04567	0.7
137.02434	0.7
143.03705	0.4
143.05034	0.4
145.02962	100.0
146.03282	4.7
147.04581	0.4
149.06035	0.5
160.01666	2.5
161.02490	1.0
161.06087	13.3
162.06390	1.0
163.04018	22.1
164.04341	1.2
165.04074	0.5
168.00623	0.4
175.04039	4.5
177.05565	7.4
178.05873	0.5
185.06020	0.7
187.03938	0.7
193.05028	0.7
205.05057	16.3
206.05399	1.0
227.07117	5.0
235.06131	6.8
236.06377	0.4
265.07150	11.6
266.07333	0.9
279.10861	4.7
293.32190	0.5
307.07947	0.5
325.09088	1.4
329.69830	0.4
425.14090	25.5
426.14423	4.0
426.24390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.145
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
50.81437	0.2
55.01875	0.5
57.03444	0.5
59.01379	3.3
61.98822	2.3
65.34702	0.2
67.01898	0.4
69.03446	0.6
69.38259	0.2
69.82874	1.2
71.01386	4.0
71.05017	0.7
72.99297	0.2
73.02948	1.6
73.06556	0.2
75.00892	0.5
78.95899	0.2
83.01390	1.1
83.05032	0.6
85.02961	2.5
87.00869	0.4
88.98800	0.4
89.02455	0.8
89.03982	0.2
93.03475	0.2
95.01411	0.7
97.02966	0.6
99.00901	0.5
101.02460	2.5
101.06097	1.3
105.03461	0.7
107.01389	0.2
107.05006	0.3
108.80218	0.2
109.02979	0.5
111.00885	0.9
113.02466	1.6
117.03483	1.2
119.03476	0.3
119.05048	0.4
121.02982	1.1
123.00893	0.9
123.04527	0.5
124.01662	2.6
125.02462	6.8
126.02881	0.2
131.03561	0.2
132.02206	1.2
133.02968	31.6
134.03383	1.0
135.04538	7.0
136.04868	0.4
137.02451	1.9
138.02744	0.2
139.04013	0.2
143.03433	0.3
145.02979	1.2
147.04478	0.2
149.99606	4.4
150.03212	0.2
151.00256	0.4
151.04079	0.3
159.02927	0.2
160.01701	0.4
161.02455	100.0
162.02798	4.9
163.04034	0.8
163.85513	0.2
165.02036	0.2
168.00652	8.1
169.01399	1.0
175.04076	0.5
177.04099	0.3
177.05551	0.3
179.03516	3.4
205.04996	0.2
235.06050	0.2
263.14853	0.2
289.07123	0.2
293.16208	0.3
313.05621	0.5
365.21616	0.3
407.06873	0.9
425.07458	10.9
425.14557	62.2
426.07852	1.3
426.14893	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	424.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
60.01152	0.2
61.98828	100.0
69.51270	2.1
71.01390	0.8
73.02969	0.3
75.00866	0.4
77.18862	0.2
78.95899	0.3
85.02969	0.5
87.00890	0.6
89.02457	0.6
93.03449	0.3
97.02950	0.2
97.94884	0.2
98.19819	0.5
99.00890	0.3
101.02422	0.6
105.01952	0.4
109.02974	0.4
113.02441	0.4
117.03499	0.4
121.02934	0.4
125.02513	0.5
135.04576	0.5
137.02499	0.7
137.09743	0.6
145.02931	2.1
146.03419	0.3
155.10793	7.4
156.11179	0.5
163.04091	0.3
165.04088	1.6
166.04425	0.6
187.07681	0.7
188.08052	1.1
199.09755	15.3
200.10207	0.7
202.06384	0.2
203.06804	0.4
231.10254	0.4
232.10648	0.6
241.10828	0.7
263.12888	0.3
276.09637	0.7
301.12994	0.6
361.15012	2.2
401.31464	0.3
424.13193	0.9
425.13904	0.5
425.19025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03430	2.4
59.01377	17.7
61.98831	7.4
63.91054	0.7
67.01869	1.8
69.03448	4.6
69.31165	0.9
69.31345	1.7
69.31751	6.3
69.32053	0.9
71.01384	28.8
72.99327	1.3
73.02956	7.4
81.03465	1.5
83.01391	5.0
84.39591	0.7
85.02956	12.5
87.00880	1.9
89.02452	6.7
91.71690	0.8
93.03463	1.6
95.01395	3.9
97.02937	4.2
98.20597	1.7
99.00880	3.7
101.01792	1.3
101.02454	21.8
102.00429	0.8
107.01413	0.9
108.02181	1.2
109.02952	3.2
111.00897	8.4
113.02465	10.7
113.06133	0.8
113.58538	0.8
117.03383	1.0
119.03513	1.4
119.05007	1.0
121.02958	1.3
123.00892	7.3
123.04540	0.9
124.01672	17.8
125.02464	58.2
126.02799	1.9
131.03578	0.8
133.02942	2.4
135.04468	1.1
136.01680	1.2
137.02443	7.6
143.03510	1.6
145.02940	6.0
146.03513	0.9
149.02582	0.9
149.04549	0.8
149.99605	35.4
151.00313	2.7
151.04019	1.9
159.02963	2.0
160.01689	1.0
161.02484	8.7
161.04556	8.9
163.04047	2.2
168.00653	65.5
169.01295	5.0
175.04031	2.6
175.07614	0.9
177.01866	1.9
189.48557	0.8
205.05028	1.0
235.05957	0.9
263.14990	11.8
273.04144	1.2
313.05554	5.2
360.57825	1.0
383.11957	1.5
407.07159	6.1
425.07230	100.0
425.14047	4.9
425.19812	15.2
426.07620	11.7
426.13794	1.8
426.20142	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.1
57.03455	4.4
58.00581	1.3
59.01379	40.1
61.98830	4.5
67.01867	0.4
68.99830	0.7
69.03454	1.9
69.17653	0.4
71.01385	59.5
71.59681	0.5
72.01723	1.0
72.99315	3.1
73.02950	30.9
75.00880	1.6
78.95877	0.5
83.01395	13.3
83.74537	0.4
85.02959	30.4
86.00101	1.8
86.03282	0.8
87.00883	3.7
87.35155	0.4
87.50092	0.4
89.02453	11.5
93.03469	0.7
95.01395	5.4
96.96017	0.5
97.02954	3.4
99.00887	14.0
99.04517	0.9
101.02456	58.3
102.02810	1.3
103.04079	0.4
105.12189	0.4
109.02967	0.4
111.00867	2.0
112.01731	0.4
113.02465	22.9
114.02808	0.8
115.04058	2.2
117.03503	1.3
119.03519	1.1
119.05009	0.8
121.02969	0.9
125.02455	4.0
125.06181	0.5
127.11325	1.1
129.01964	1.9
129.12891	0.6
131.03519	3.4
133.02969	0.7
134.03722	1.9
135.04518	1.8
137.02460	1.0
141.01962	0.5
143.03522	3.0
143.10812	1.5
145.02959	3.0
147.03008	0.5
149.04565	1.5
151.00351	1.0
159.03009	4.6
161.04573	20.7
162.03262	0.7
162.04913	0.9
163.04027	1.3
177.01964	1.3
178.02690	0.7
191.05611	1.0
199.13463	0.6
205.03578	1.1
217.53111	0.4
233.06645	2.8
261.11359	1.2
271.02448	2.4
271.06052	1.3
272.03040	0.7
275.09259	3.3
291.18127	80.9
292.18466	7.6
293.08826	1.0
297.12082	1.2
335.13330	0.5
335.17261	1.0
363.18384	0.8
363.23904	1.0
423.07257	4.4
423.22348	100.0
424.07336	1.1
424.22711	13.9
433.11600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01618	0.4
55.01876	6.6
56.02192	0.2
57.03445	3.9
58.00596	1.7
59.01377	38.4
60.01695	0.4
61.98822	0.4
68.99816	0.4
69.03462	1.3
69.48421	1.9
71.01383	57.3
72.01713	1.0
72.99311	2.5
73.02949	28.5
73.41257	0.2
74.03297	0.5
75.00878	1.3
81.03465	0.7
81.17830	0.2
83.01392	14.0
84.01717	0.3
84.02172	0.2
85.02956	30.8
86.00110	1.9
86.03299	0.6
87.00883	3.7
89.02452	11.8
90.02844	0.3
95.01382	4.2
97.02964	2.6
98.20647	0.3
99.00889	12.4
99.04511	0.4
101.02452	59.8
101.83041	0.2
102.02798	1.0
103.03997	0.3
111.00915	1.8
113.02461	22.1
114.02785	0.8
115.04043	1.6
119.03527	1.2
123.00891	0.2
125.02448	3.4
127.11288	0.7
129.01956	1.5
129.12868	0.8
131.03522	2.4
134.03757	0.5
138.50340	0.2
141.01973	0.3
143.03535	2.3
149.04590	1.5
159.03011	3.7
161.04567	20.1
162.04860	0.6
171.13927	0.3
191.05571	0.9
199.13417	1.2
205.03455	0.5
211.25117	0.2
233.06638	2.3
291.18115	97.4
292.18457	7.8
292.21747	0.3
293.08881	1.1
335.16949	0.5
349.25259	0.3
423.22333	100.0
424.22693	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	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70861	0.1
55.01619	0.3
55.01877	4.4
56.40047	0.2
57.03188	0.3
57.03448	3.7
58.00592	2.3
59.01377	42.6
60.01710	0.6
61.54809	0.2
67.01903	0.2
68.99820	0.4
69.03465	1.0
69.70840	0.2
71.01383	48.7
71.56773	0.2
72.01700	0.9
72.99319	2.7
73.02950	19.4
74.03289	0.3
75.00881	1.0
81.03461	0.4
83.01390	12.4
84.01741	0.4
85.02956	25.6
86.00087	1.4
86.03290	0.4
87.00881	2.5
89.02450	13.6
90.02788	0.2
91.05898	0.2
95.01395	2.8
97.02963	1.8
99.00892	7.9
100.01212	0.2
101.02452	54.9
102.02794	1.3
103.04027	0.2
111.00889	3.0
113.02462	19.6
114.02798	0.5
115.04017	0.7
119.03508	1.4
123.04620	0.2
125.02469	2.0
127.11340	0.7
129.01965	1.3
129.12854	0.6
131.03520	28.5
132.03841	0.7
137.02464	0.2
141.01979	0.4
143.03511	2.5
145.03009	0.3
149.04588	2.9
159.03011	3.7
161.04567	17.3
162.04904	0.5
165.04005	0.3
171.13818	0.2
187.06149	0.3
191.05643	0.4
199.13406	0.4
205.03508	0.6
215.05556	0.6
233.06642	1.6
273.17142	0.3
275.09125	0.3
278.06409	0.2
291.18115	100.0
292.18463	8.3
335.17114	0.9
423.22345	30.8
424.22668	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	423.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27936	0.4
55.01869	4.2
57.03446	3.8
58.00592	3.7
59.01377	89.1
59.30078	0.4
60.01706	0.9
60.06558	0.5
61.98829	4.8
62.36649	0.4
69.03460	1.3
69.36982	4.4
71.01383	100.0
71.52796	0.4
72.01720	1.8
72.99323	3.4
73.02951	20.1
75.00870	1.7
75.68871	0.4
76.27171	0.5
78.95917	1.7
81.03471	0.8
83.01391	8.6
85.02955	25.9
85.41894	0.4
86.00086	0.5
86.99159	0.6
87.00892	7.0
87.04554	0.7
89.02450	77.9
90.02792	1.0
93.03459	0.8
95.01404	5.5
97.02979	2.4
99.00886	6.5
99.04562	0.7
101.02454	72.1
102.02813	1.3
107.03523	0.8
109.02992	0.6
111.00906	0.8
111.08179	0.5
113.02464	40.1
114.02790	0.7
115.03997	0.6
119.03517	34.6
120.03854	0.5
125.02450	6.0
129.01947	0.8
131.03520	8.7
134.92891	0.4
137.02461	1.3
143.03519	11.0
144.03856	0.5
147.67487	0.4
149.02403	0.5
149.04590	3.3
159.02969	3.6
161.02422	0.9
161.04573	31.1
162.04895	0.9
179.05620	57.9
180.05925	2.1
192.45943	0.4
196.54227	0.5
201.11467	0.5
205.03603	0.5
221.06656	18.8
222.07074	0.6
229.11942	0.4
261.13309	3.3
263.07611	0.8
285.04056	0.7
293.51047	0.5
298.82315	0.5
363.20389	0.7
423.18710	27.9
424.18872	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73112	2.3
56.03354	1.8
57.03440	6.9
59.01376	39.2
61.17490	1.5
61.98831	79.0
68.99809	1.8
71.01388	20.4
71.65634	2.3
71.66056	1.8
72.99310	5.1
73.02955	6.9
75.00873	7.6
82.78967	1.8
83.01405	9.5
85.02958	8.9
87.00897	5.2
89.02454	9.8
91.50024	2.1
93.03474	9.0
95.01392	3.4
95.05098	1.7
95.41344	2.1
99.00901	4.0
101.02421	12.4
105.01933	4.3
109.02975	16.2
113.02444	6.7
118.98128	3.8
119.03514	3.9
119.05023	2.6
121.02972	7.5
121.86903	1.9
123.04520	3.7
125.02464	21.7
125.09742	4.3
128.99306	2.3
133.02969	3.4
137.02457	48.5
145.02946	6.8
147.04535	2.8
149.02457	8.7
151.06117	4.6
152.91856	1.8
159.04526	4.7
161.02475	12.1
161.04546	4.6
163.00389	14.5
163.04013	6.6
165.01932	3.4
165.04059	14.3
173.06039	2.0
173.11870	1.9
175.03976	4.8
176.01215	3.4
177.01903	9.3
177.04100	3.6
185.06134	2.0
187.04071	8.8
187.07651	5.8
187.09770	3.0
189.01901	2.1
199.03979	5.4
199.07535	2.3
201.05635	3.3
202.06381	3.4
203.03499	4.2
211.04013	3.4
213.05573	2.9
217.04980	3.8
225.05603	3.7
225.64491	2.2
226.02586	1.9
227.03593	7.8
228.04253	2.5
229.05048	5.7
231.10188	5.9
241.05072	6.4
255.02986	7.7
256.03650	2.6
257.04538	7.4
269.04489	4.7
272.03186	2.8
273.04214	4.1
273.43140	2.0
275.09235	10.5
285.04083	40.0
286.04358	5.2
297.04010	6.8
300.02792	4.3
301.03503	2.0
313.03592	6.0
313.11392	5.5
319.06152	2.3
363.20197	4.3
423.07251	100.0
423.12488	5.8
423.17978	27.3
423.26361	3.6
424.07623	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	423.0724
Annotation	6-(3,4-Dihydroxyphenyl)-6a,12b-dihydro-3,10,11,12-tetrahydroxy-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
55.01885	0.3
59.01103	0.5
59.01381	7.2
59.01680	0.5
61.98831	4.9
69.43869	1.6
69.44289	0.8
70.39657	0.3
71.01393	3.3
73.02948	1.4
73.03306	0.2
75.00884	1.2
83.01385	0.5
85.02944	1.7
87.00896	0.7
87.04514	0.5
89.02464	2.3
90.61900	0.3
93.03460	0.6
99.00916	0.3
99.24800	0.3
101.02460	2.2
105.03503	0.4
108.02174	0.3
109.02965	2.3
113.02455	1.5
117.03463	1.2
119.03490	0.6
119.05051	0.8
121.02963	1.0
123.04557	2.3
125.02461	0.4
129.01917	0.3
133.02965	1.3
134.03752	1.4
135.04550	0.9
135.06657	1.1
137.02446	1.5
143.10796	7.6
145.02971	5.2
147.04536	1.1
149.02463	1.5
150.03232	0.4
151.04021	1.8
155.10796	0.4
157.12337	2.2
158.03671	0.5
159.04524	0.7
161.02448	1.6
161.04568	0.7
161.06003	0.4
162.03214	0.6
163.00414	0.4
163.04033	1.2
165.01973	0.4
171.04518	1.0
173.02472	0.7
174.03127	0.6
174.12930	0.7
175.04019	1.9
177.01950	1.3
178.02692	0.6
179.05704	0.3
183.04524	0.7
185.02409	0.4
185.11884	0.3
186.03275	0.7
187.04033	1.5
188.04805	0.7
189.01874	0.5
189.05615	0.4
190.02766	0.6
191.03542	3.1
199.04025	2.5
200.04761	1.1
201.01898	0.8
201.05511	0.8
202.02760	0.6
203.03499	5.1
204.04234	0.5
205.05078	0.5
214.02699	1.9
215.03476	2.5
216.04167	0.7
217.01407	1.2
226.02711	0.5
227.03502	2.7
228.04231	2.1
229.01445	5.1
229.03830	0.4
229.04822	0.6
230.02216	2.5
231.03012	1.2
231.10291	0.8
241.05089	0.4
242.02112	1.5
243.02969	10.2
244.03670	2.5
245.04268	0.4
253.01193	0.3
254.02200	0.7
255.03032	1.1
257.04532	0.6
258.01675	17.1
259.02429	8.6
260.02841	0.5
261.12390	1.1
269.04514	0.8
270.02402	0.3
270.05167	2.0
271.02463	43.0
272.03217	30.7
272.06311	0.7
273.03616	2.2
275.09146	2.9
279.10898	1.2
285.04111	1.6
291.18234	0.6
297.03918	0.5
297.11920	3.0
298.01193	2.5
299.01956	1.9
300.02673	1.6
301.03506	2.3
304.02234	1.2
311.31134	0.3
313.03564	1.3
314.04196	0.9
385.12915	1.2
405.05945	0.4
422.24884	0.6
423.07208	100.0
423.18604	4.8
424.07504	12.9
424.18854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86364	0.5
57.03453	3.3
59.01134	0.5
59.01379	5.8
61.98832	7.9
65.00315	0.5
68.99831	0.4
69.03445	2.0
71.01384	2.0
71.64449	0.7
72.67086	0.4
73.02972	0.5
74.75491	0.4
75.00858	1.5
81.03447	0.5
83.01397	7.3
83.71826	0.4
84.01676	0.4
85.02956	1.0
87.00877	0.9
89.02447	1.8
93.03477	3.4
95.01392	1.5
96.96029	0.7
101.02451	1.8
101.27928	0.4
105.03458	0.7
108.02176	1.2
109.02961	11.2
113.02446	0.7
117.03436	0.7
119.01386	0.6
121.02964	5.9
123.00938	0.6
123.04552	0.9
124.01642	0.9
125.02464	20.6
125.09722	0.6
126.02776	0.8
132.02187	0.5
133.02982	1.9
133.06526	0.5
135.00906	1.2
135.04518	1.6
137.02461	44.9
138.02815	1.9
139.04054	0.9
139.11275	0.5
141.07130	0.5
143.05038	1.2
145.02956	1.6
147.00932	2.3
147.04520	2.0
148.01649	1.3
149.02455	9.4
151.00394	1.0
157.06555	0.8
159.04512	3.1
160.01720	0.6
161.02472	12.4
161.04578	0.6
163.00397	10.5
163.01733	0.4
163.04018	4.4
164.01256	2.2
165.01920	1.6
165.04079	0.7
167.05075	0.6
169.06627	0.6
171.04527	1.8
173.02557	0.9
173.06052	1.5
174.03221	1.6
175.03996	4.5
176.01125	3.6
177.01944	8.7
177.04010	1.3
177.05434	0.9
178.02342	0.5
178.04414	0.9
183.04546	1.9
183.10347	0.5
185.02463	0.5
185.06093	1.9
186.03381	0.5
187.04021	8.6
187.09633	0.6
189.01950	1.2
189.05591	1.2
190.02609	0.4
191.03505	0.8
191.05496	0.6
195.04581	0.9
196.05260	1.0
197.06113	1.7
198.03249	1.1
199.04012	5.4
199.07878	0.6
200.04723	0.9
201.01941	0.8
201.05649	2.3
202.99915	0.6
203.03525	2.3
204.00505	0.7
205.05086	1.3
211.04019	3.0
212.04701	0.8
213.02014	0.6
213.05588	2.9
215.03435	2.6
217.05028	4.2
218.05392	0.5
223.03902	0.8
224.04707	0.8
225.05566	1.8
226.02704	0.6
227.03526	7.2
228.04266	1.5
229.01514	0.6
229.05046	4.8
231.02882	0.9
239.03485	1.6
240.04256	1.0
241.05083	6.4
241.24550	0.5
242.02148	0.8
243.02977	1.6
243.10196	0.7
244.03766	0.5
245.04605	0.7
251.03604	0.6
253.05055	2.1
255.02951	6.5
256.03714	2.8
257.04526	8.1
258.04938	0.6
267.03012	1.4
268.03763	1.0
269.04483	5.0
270.05118	0.7
271.02411	1.0
272.03220	1.5
273.04083	3.2
275.09222	0.9
279.02924	0.7
283.02643	0.9
284.03275	2.0
285.04047	38.9
286.04352	3.4
295.02533	1.2
295.06253	0.9
296.02841	0.6
297.04034	6.1
298.04199	0.7
300.02747	5.0
301.03372	0.9
313.03589	5.2
319.06076	3.9
337.07355	0.5
349.65192	0.5
351.00726	0.4
361.07117	0.8
363.20197	0.6
379.08194	0.7
405.05988	2.1
405.17090	0.9
423.07211	100.0
423.17758	5.6
424.07544	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	421.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42802	3.4
59.01376	59.6
60.01690	7.3
61.01807	5.5
61.98830	64.9
71.01395	8.3
71.14172	8.1
72.76373	3.7
79.34677	3.7
100.74005	3.4
101.02460	5.6
106.97216	3.8
108.02148	4.8
113.02495	4.0
175.28038	4.1
229.09662	3.8
295.09094	4.1
377.17880	5.8
421.10504	6.0
421.16321	100.0
422.16864	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	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95495	0.5
55.01882	0.7
57.03446	4.1
58.00579	0.6
59.01377	32.9
61.98832	3.6
63.85000	0.4
68.99813	0.8
69.03457	2.8
69.80192	2.3
70.41521	0.5
71.01385	13.5
72.99304	2.2
73.02950	2.5
75.00874	12.4
83.01406	1.5
83.05044	0.6
84.02182	0.6
85.02953	8.9
87.00879	9.4
88.20985	0.5
88.98811	0.9
89.02443	4.8
95.01453	0.5
97.02947	4.1
99.00893	4.0
100.29802	0.5
101.02451	3.1
101.10068	0.4
111.00875	1.0
113.02448	1.4
115.03991	0.6
125.02503	0.7
127.07653	2.7
129.01965	8.3
131.03568	1.0
139.11305	15.3
141.01941	1.8
145.83487	0.4
147.14137	0.4
149.04565	1.0
155.10802	0.8
159.02980	1.9
162.33244	0.4
165.09279	0.5
173.08145	0.5
176.49931	0.5
177.04057	42.1
178.04399	1.6
179.05589	0.6
181.12354	7.6
182.12784	0.5
183.10269	16.4
184.10619	1.4
199.13419	3.5
209.18765	0.5
225.11308	6.6
243.12361	24.0
244.12671	1.4
248.58238	0.5
259.06128	0.6
285.13409	4.3
293.08755	0.7
345.10779	0.8
345.15384	0.9
361.14978	1.1
361.18887	1.0
403.16034	14.3
404.16373	1.9
421.17126	100.0
422.17447	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	421.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60723	0.4
54.47017	0.4
57.03230	0.4
57.03452	4.7
58.00592	0.4
59.01378	31.0
61.98834	3.9
68.99805	1.0
69.03453	3.1
69.45506	2.0
69.45939	1.8
71.01385	13.4
72.99313	2.3
73.02953	2.7
75.00875	12.4
80.16805	0.4
83.01403	1.3
83.05036	0.5
85.02956	9.4
87.00881	8.3
87.04513	0.9
88.98819	1.1
89.02449	6.0
92.81860	0.4
93.03457	0.7
95.01384	0.5
95.05046	0.7
97.02942	3.7
97.06552	0.6
98.79151	0.5
99.00890	3.3
101.02452	3.2
111.00880	0.6
113.02453	1.6
115.00353	0.7
115.04067	0.6
119.03489	0.8
121.02959	0.7
125.02439	1.4
127.07671	2.4
129.01964	8.8
131.03549	1.0
137.02417	0.5
139.11308	13.6
140.11578	0.8
141.02007	3.1
149.04608	1.0
149.99628	1.1
151.00362	0.5
153.09213	0.7
155.10774	0.9
159.03049	2.2
161.04575	1.1
163.11272	0.8
165.01889	0.6
165.09233	1.0
173.04590	0.5
173.08202	1.1
177.04057	44.0
178.04408	0.8
181.12347	6.8
182.12637	0.5
183.10280	18.6
184.10632	1.1
195.05153	1.5
199.09880	0.7
199.13435	4.1
225.11320	5.7
243.12364	22.2
244.12596	1.4
259.06116	0.8
285.13522	4.3
313.05551	1.1
345.11163	0.9
345.15204	1.0
359.16812	0.9
361.14941	1.2
361.18713	1.6
377.21829	0.6
391.16537	0.7
403.16055	16.0
403.21243	0.8
404.16464	1.5
405.99127	0.4
421.17139	100.0
422.17490	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	422.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97536	0.4
55.01884	0.9
57.03447	0.8
57.15001	0.4
59.01379	17.9
60.01728	0.8
61.98832	100.0
67.36594	0.5
68.78814	0.5
71.01385	12.6
71.01762	0.9
71.65151	0.5
71.65557	1.1
72.99306	1.0
73.02946	3.8
75.00898	0.9
83.01405	1.0
85.02950	4.1
87.00900	1.3
87.04522	1.1
88.51645	0.5
89.02446	10.2
95.01425	1.1
99.00891	0.7
101.02463	9.3
102.74847	0.4
109.03029	0.7
113.02467	5.2
119.03508	4.1
125.02493	1.4
129.77156	0.5
131.03546	0.6
137.02483	0.9
143.03532	1.4
149.04648	0.5
159.03099	0.6
161.04582	4.3
173.04585	0.6
179.05623	6.0
201.11401	1.3
212.76053	0.4
221.06630	2.6
260.06699	0.7
309.11942	0.9
422.11115	0.8
422.16904	2.6
423.18787	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	421.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
59.01376	100.0
60.01718	1.2
61.98825	8.6
66.13657	0.7
69.03456	1.2
69.58463	6.1
70.23454	1.0
71.01383	11.2
72.99294	2.0
73.02946	2.9
75.00873	6.9
80.95882	0.8
83.01382	1.2
85.02969	6.5
87.00885	3.1
87.04567	1.0
89.02450	5.1
93.03470	1.9
95.01404	0.8
97.02983	1.6
98.05840	0.7
99.00894	2.5
101.02444	6.9
109.02956	0.9
113.02473	4.5
119.03503	2.0
119.05010	0.8
121.02988	0.9
122.03675	0.9
125.02431	2.0
127.07679	1.9
129.01927	3.4
137.02444	2.0
139.11302	2.9
141.01953	0.9
150.03236	2.0
152.01070	0.9
153.20274	0.7
155.10727	1.0
159.03006	1.2
161.04637	4.2
165.05528	1.5
167.03587	1.2
177.04051	9.5
179.05630	1.7
181.05128	1.0
181.12323	3.6
183.10245	3.7
191.05582	1.9
199.13390	2.1
205.74265	0.8
216.04243	1.3
225.11311	2.4
241.04987	1.8
243.12361	14.1
259.06085	9.1
283.09546	0.8
349.75754	0.8
361.14539	0.9
361.18631	5.2
383.55457	0.8
391.13818	1.6
403.15671	2.6
421.16718	55.7
422.17050	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	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
55.19454	1.5
57.03452	7.7
58.02969	2.5
59.01377	71.0
61.98829	4.4
69.53506	9.8
69.53910	2.8
70.02981	11.0
71.01387	28.3
71.05028	12.8
72.99326	2.9
73.02946	7.3
75.00862	2.9
83.01409	2.6
85.02945	10.0
87.00899	4.9
87.04501	2.4
87.05653	6.4
89.02449	20.5
92.05289	1.6
93.03465	4.8
95.01405	2.3
97.06574	2.4
99.00881	1.8
99.04522	7.6
101.02427	19.7
101.06095	2.1
109.02985	2.2
109.06615	2.3
113.02464	10.4
113.99603	2.4
116.07164	2.8
119.03535	8.5
123.04549	1.8
125.02398	2.9
127.07641	5.4
129.01917	2.8
130.03340	7.2
133.02982	3.8
137.02446	4.9
137.09732	2.0
143.03510	3.0
143.04597	2.9
146.08241	80.1
147.05957	5.2
149.02402	1.9
149.04562	2.9
161.02542	7.7
161.04529	5.3
174.01677	1.9
177.04010	2.2
179.05627	6.3
190.02699	4.6
199.09760	1.9
205.04996	4.9
217.11975	16.5
241.05086	1.6
259.06088	4.9
259.11450	2.4
259.15417	1.7
277.12262	100.0
278.12436	6.8
283.06259	2.2
306.07553	2.6
327.09717	4.3
361.18579	3.5
377.18048	6.9
385.11444	7.5
390.35461	1.7
392.01413	1.9
403.23480	2.1
421.12085	3.6
421.17114	20.9
421.21069	5.5
421.25381	3.2
422.16553	2.6
447.16339	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	421.1141
Annotation	Amburoside A
Peak:m/z	Relative Intensity
50.40579	0.5
50.68379	0.6
52.56935	0.5
57.03446	1.7
58.84024	0.5
59.01379	13.2
61.98821	2.6
64.70461	0.6
65.61951	0.6
68.99815	0.8
69.03450	0.8
71.01379	7.8
73.02937	1.6
75.00868	3.4
83.01398	1.4
85.02962	3.5
87.00881	2.1
89.02443	3.9
91.01887	1.3
93.03465	27.3
94.03782	1.0
95.01424	0.8
97.02982	0.8
99.00893	1.7
101.02462	2.2
113.02454	1.3
114.03453	0.6
116.92887	1.7
117.03474	0.9
117.92865	0.6
119.05034	1.2
121.02967	77.7
122.03304	3.6
125.02522	1.0
127.07702	3.0
129.01958	3.2
131.03513	0.6
135.00856	0.9
135.04562	1.3
137.02492	1.1
139.11324	2.2
145.02965	7.3
149.99632	2.3
154.82056	0.8
159.03107	0.8
161.04559	0.7
163.04039	1.1
165.01920	1.5
169.06604	2.0
177.04051	10.4
181.12416	0.9
183.10295	3.0
184.05368	1.8
195.05096	2.2
197.06120	2.1
199.13414	1.2
211.03947	2.9
213.05620	1.6
215.07161	5.2
225.11371	0.8
228.26114	0.7
240.04190	1.1
241.05060	10.6
241.13942	0.7
243.12381	5.5
257.04465	0.8
258.05252	7.3
259.05914	3.2
293.08893	0.9
293.65054	0.6
313.05630	0.8
343.08237	0.7
361.18646	0.9
377.85168	0.6
383.13480	6.6
384.13885	0.7
385.13696	0.8
386.52701	0.6
403.10416	6.6
403.15543	1.0
404.11078	0.8
411.90005	0.7
421.11493	100.0
421.17139	19.5
422.11841	11.4
422.17474	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99946	1.6
54.00203	1.6
54.64759	1.8
57.03439	3.3
59.01378	92.3
59.28045	1.7
61.98829	100.0
71.01382	28.7
71.64355	4.2
72.99297	4.2
73.02929	5.5
75.00878	8.7
76.20634	1.8
78.95840	1.8
83.01381	3.0
85.02953	9.7
87.00896	5.9
88.98815	2.6
89.02451	23.1
93.03455	7.3
97.02973	2.6
99.00877	8.9
101.02444	12.9
108.02159	4.4
108.08210	12.6
109.02946	5.7
111.08176	2.4
113.02459	6.4
119.03506	2.4
119.05046	4.4
121.02941	8.7
125.02480	9.0
127.07665	5.6
129.01955	4.8
130.24866	1.9
131.03502	2.4
137.02470	4.7
144.80286	2.0
145.02945	5.7
149.04568	4.8
152.07193	12.6
153.01962	9.7
161.04544	3.1
163.00526	1.8
163.04025	2.6
165.01936	2.3
165.04042	3.2
165.19423	1.9
166.08708	2.9
168.33917	1.9
173.04533	5.7
177.04086	17.6
177.05502	3.3
181.12335	3.2
183.10294	3.4
191.05585	5.1
194.08195	1.9
195.05106	3.2
196.04568	1.9
196.06114	10.7
199.13350	3.4
201.09039	2.1
205.34390	2.1
211.07651	2.3
215.07141	5.4
229.08649	3.1
233.06647	2.2
238.07158	2.2
241.05226	3.3
243.12379	7.5
259.06094	6.3
293.08655	5.7
320.51721	2.1
345.10797	2.9
358.07654	2.3
358.11539	17.0
361.18723	10.7
385.12955	8.1
403.15869	2.6
421.11343	13.1
421.16708	47.0
422.11920	3.1
422.17331	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	421.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73425	1.5
53.49281	1.5
55.01846	1.5
55.27754	1.6
59.01375	53.5
60.95836	1.6
61.98829	100.0
69.03484	1.9
69.51401	11.1
71.01381	17.8
73.02940	5.2
75.00875	5.9
83.01392	2.8
85.02954	6.7
86.02456	1.9
87.00847	3.8
88.14148	1.5
88.98795	1.5
89.02439	9.6
93.03461	7.7
97.02953	2.0
97.95125	1.7
99.00876	3.5
101.02443	8.5
108.08195	14.4
109.02935	6.6
113.02442	4.5
117.03435	1.7
119.03545	1.7
119.04961	2.4
121.02962	6.2
124.01670	2.9
125.02459	3.7
127.07660	3.4
129.01894	2.7
135.00885	2.9
137.02437	8.0
139.03986	3.8
145.02966	4.4
149.04568	2.7
149.99521	1.6
152.07188	17.0
153.01976	12.0
159.02985	1.7
161.04553	2.8
163.04047	2.1
165.01991	2.1
165.04007	4.7
166.08823	2.1
171.64964	1.8
173.04572	2.8
177.04080	7.9
177.05431	2.0
181.12321	3.5
183.10208	3.4
191.05534	3.4
194.08203	1.5
196.06194	10.7
199.07507	2.0
199.13434	2.8
201.09186	1.7
215.07141	6.6
229.08600	2.1
242.45421	1.6
243.12222	7.7
259.05975	9.1
281.06680	3.5
293.08612	2.7
298.09250	2.4
304.68494	1.8
317.07233	1.7
345.10806	3.4
358.11417	18.4
361.18466	8.5
385.12872	4.7
403.15979	3.5
421.11279	12.9
421.16638	28.4
422.16782	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	421.114
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31762	0.2
55.01875	0.3
57.03434	0.3
59.01376	5.0
61.98820	0.8
69.03457	0.5
71.01386	1.1
73.02979	0.4
76.29575	0.3
77.04002	0.3
79.01923	0.4
81.03467	2.3
82.16262	0.2
83.01373	0.6
85.02958	0.9
87.00892	0.4
89.02435	0.4
89.12410	0.3
93.03476	1.2
94.28209	0.3
95.01385	3.1
97.02969	1.0
98.19849	0.6
98.20541	0.9
99.00858	0.3
101.02466	1.1
105.03482	0.8
106.93446	0.3
107.01392	2.6
107.05041	0.4
108.02222	0.4
108.82966	0.3
109.02976	1.3
110.00117	0.3
111.00909	0.3
111.04539	0.9
113.02446	0.5
117.03473	0.3
119.05050	0.4
121.02953	1.5
123.00884	2.4
123.04494	0.5
124.01705	0.8
125.02467	8.6
126.02803	0.4
127.04067	0.2
129.09210	0.3
133.02971	0.5
135.00914	0.4
135.04559	0.7
136.01732	0.4
137.02463	2.3
141.01953	0.6
143.10762	1.7
149.02469	1.4
149.99599	65.4
151.00406	10.5
151.04044	0.6
152.00793	0.4
157.12383	0.5
161.02516	0.3
163.00432	0.5
163.04102	0.5
165.01923	1.5
169.01428	0.7
175.00412	0.5
177.01828	0.5
178.02534	0.3
179.03539	0.5
191.03737	0.4
191.05621	2.2
192.79114	0.2
193.01447	2.0
205.01471	0.4
221.06639	0.2
222.71124	0.3
313.05627	100.0
314.05978	6.8
314.09406	0.5
331.06696	0.8
421.11166	0.8
421.24615	2.7
422.24521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.244
Annotation	2beta,3alpha-Diacetoxy-11beta,14alpha-dihydroxy-1(15),8(19)-trinervitadiene
Peak:m/z	Relative Intensity
57.03438	0.5
59.01376	24.9
60.01703	0.5
60.99312	0.5
61.98832	2.4
71.01382	1.0
72.99303	0.3
73.02951	3.0
73.30887	0.3
85.02956	0.6
89.02435	0.6
99.04539	0.3
101.02453	0.8
107.01401	0.4
108.02205	0.9
109.02949	1.1
113.02471	0.4
119.05004	0.4
121.02955	2.8
122.38979	0.3
128.72920	0.3
137.02486	0.4
151.00415	1.4
152.01147	0.6
153.01950	7.0
155.10623	0.3
159.11719	0.4
161.04605	0.5
177.01959	0.4
187.14951	0.6
189.01920	1.0
197.06088	2.7
207.91835	0.3
216.00632	1.0
217.01434	0.6
239.15100	0.3
243.17551	0.4
256.33868	0.4
257.08200	0.7
259.20602	1.1
273.04089	0.4
273.18570	0.4
285.18677	0.6
297.22156	0.8
311.20175	1.1
313.21722	2.7
315.23331	0.6
341.21185	8.4
342.21487	1.2
359.22260	65.2
360.22571	7.5
377.23224	0.4
419.10367	2.5
419.24371	100.0
420.10052	0.4
420.24716	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	419.2442
Annotation	2beta,3alpha-Diacetoxy-11beta,14alpha-dihydroxy-1(15),8(19)-trinervitadiene
Peak:m/z	Relative Intensity
59.01379	25.2
60.99302	0.6
61.98828	4.5
66.02110	0.5
69.85637	0.5
71.01390	0.7
73.02962	2.0
85.03011	0.9
87.04520	0.8
88.98823	0.5
93.03458	0.8
98.19868	1.2
99.13140	0.5
108.02163	0.9
109.02979	0.9
113.02483	0.6
149.06059	0.6
166.71555	0.6
169.43135	0.5
187.15048	0.8
216.73627	0.5
226.19305	0.6
243.17438	0.9
273.04269	0.7
285.18661	0.7
295.20609	0.6
311.20111	1.2
313.21716	2.5
341.17343	0.8
341.21234	6.0
342.21722	0.8
359.22250	58.9
360.22589	7.5
401.23135	0.7
419.24350	100.0
420.20267	0.6
420.24744	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	420.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
59.22031	0.2
61.98828	100.0
62.98534	0.3
69.03471	0.2
71.01394	0.6
71.29682	0.5
75.00893	0.3
83.01389	0.3
85.02916	0.2
89.02464	0.5
96.96993	0.4
97.72673	0.2
101.02454	0.4
113.02460	0.3
151.03593	0.3
166.05139	0.9
184.72530	0.2
195.06668	0.5
196.07001	0.3
197.07222	0.3
199.09827	0.2
261.98981	0.2
407.86752	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00349	0.2
57.03429	0.4
59.01377	4.6
59.04746	0.2
61.98829	100.0
63.48664	0.3
67.17345	0.3
67.85097	0.3
70.90961	0.4
70.91302	0.6
71.01382	2.2
72.99310	0.3
73.02954	0.9
75.00887	0.5
83.01377	0.5
85.02962	1.0
85.82769	0.3
87.00880	0.6
87.04575	0.3
89.02455	1.5
92.65662	0.3
93.03476	0.8
97.02983	0.3
99.00880	0.3
101.02462	1.0
108.02193	1.5
109.02958	1.4
109.26548	0.3
111.00885	0.4
113.02471	1.0
119.03529	0.7
123.04539	0.9
124.04886	0.3
125.02488	0.9
129.02031	0.3
137.02496	0.4
139.04039	0.4
149.02551	0.4
151.04021	0.3
152.01183	0.6
153.01915	0.8
156.72182	0.3
161.04636	0.4
167.07155	0.3
173.06113	0.3
179.03474	0.4
179.05704	0.3
197.04559	0.4
199.09673	0.4
215.07191	0.4
219.73781	0.3
241.10799	0.3
259.06052	2.0
283.06165	0.7
290.07654	0.3
360.07928	1.3
361.18765	0.4
402.08887	0.6
404.15289	0.3
420.09418	1.5
420.19638	0.4
421.11249	0.5
421.16867	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	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20300	0.3
54.00269	0.3
59.01377	100.0
59.98702	0.3
60.01708	0.7
61.62672	0.3
61.98834	3.4
64.85890	0.3
65.25764	0.3
69.28074	2.8
71.01382	1.7
73.02971	0.5
75.00868	0.3
83.01400	0.5
85.02969	0.7
89.02465	0.7
93.03496	0.9
94.95075	0.3
97.02979	0.3
98.20666	0.6
99.00916	0.4
100.61093	0.3
101.02482	1.1
113.02480	0.5
123.04550	1.3
125.06100	0.4
129.02000	0.4
137.02469	2.9
138.02800	0.3
139.02994	0.4
149.02467	0.5
151.04004	0.4
161.04626	1.0
167.03520	2.1
173.04626	0.7
177.04102	0.3
179.03519	0.3
179.07198	0.5
182.05855	4.9
183.06587	0.4
191.05621	0.4
197.08206	11.6
198.08562	0.6
211.07666	0.3
211.33852	0.3
295.11957	0.3
401.08997	1.0
419.09909	0.9
419.14908	1.6
420.10300	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.7
59.01379	14.9
61.98831	13.3
66.80114	0.6
71.01390	5.9
71.05009	1.0
71.65902	1.2
72.97542	0.7
72.99284	0.7
73.02945	2.0
75.00875	2.4
75.60063	0.6
81.56213	0.6
81.78154	0.7
83.01389	1.4
85.02972	4.1
87.00887	2.1
89.02450	2.4
93.03477	4.5
99.00871	1.4
101.02465	3.1
106.06647	6.0
108.90880	0.6
109.02978	1.1
111.00896	1.1
113.02441	1.9
117.03469	6.8
119.05045	2.7
123.00876	0.9
123.04466	0.7
124.01681	4.9
125.02459	2.6
127.38586	0.6
137.02443	6.4
137.09689	1.1
138.03191	1.4
139.04045	6.2
145.02971	35.6
146.03314	2.0
149.99658	1.6
150.05603	3.5
151.04019	0.9
152.04761	0.9
155.10774	3.8
161.04530	1.3
163.04012	3.5
163.06094	1.0
164.07202	1.1
168.00705	2.1
173.04626	1.6
174.03227	2.1
175.04021	2.9
177.04051	4.0
177.05414	1.2
181.07132	1.1
187.03932	1.1
188.04855	1.4
189.05507	1.1
191.05565	1.3
191.07140	0.9
194.04608	2.2
195.05009	0.7
197.11844	1.8
199.09732	1.1
204.04323	0.8
205.05061	1.6
206.05867	3.0
207.06538	1.5
213.02580	0.7
213.05586	0.7
221.08157	3.7
233.08107	0.9
250.08432	1.3
253.05072	0.9
256.07611	1.3
257.11688	1.1
280.03821	1.8
281.04495	3.1
281.09326	1.1
282.04886	0.9
283.06076	1.6
285.07669	1.3
297.04205	0.8
298.04929	2.9
299.05692	1.5
300.06522	0.7
301.07239	3.3
311.05627	2.3
312.06366	3.6
313.07220	15.6
314.07629	2.3
315.08597	1.6
326.07877	2.1
327.08734	11.0
328.05762	2.0
328.09299	2.2
329.06610	8.5
329.10330	2.8
330.07166	0.8
341.10709	0.9
343.08319	7.7
343.12039	1.4
344.08972	12.7
345.09406	1.5
356.09930	5.7
357.09814	1.1
358.06073	1.5
358.10574	34.4
359.11322	56.4
360.11700	6.2
373.12933	51.1
374.13181	4.0
383.13477	27.4
384.13818	2.5
389.12418	13.1
390.12726	1.4
401.12775	2.2
402.13321	1.4
404.14777	51.0
405.15009	7.6
419.17081	100.0
420.17477	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	419.1349
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03430	0.2
59.01378	3.7
61.98820	0.4
69.52472	1.2
71.01392	1.0
73.02957	0.2
78.95909	0.5
81.03449	0.3
85.02960	0.6
87.00918	0.2
87.52950	0.1
89.02455	0.6
91.01874	0.2
93.03468	0.7
95.01378	0.4
95.05032	0.7
98.20655	0.3
101.02457	0.5
108.02192	1.7
109.02957	1.1
112.18950	0.2
113.02474	0.3
117.03468	0.2
119.03487	0.3
121.02969	2.7
122.03812	0.7
123.04537	73.6
124.04869	2.2
124.24924	0.1
125.02365	0.2
133.02901	0.1
135.04532	0.3
137.02435	0.2
145.02960	0.5
151.04031	0.2
152.01161	1.0
153.05591	100.0
154.05923	4.2
161.04564	0.2
163.04031	0.2
173.04590	0.2
177.21721	0.2
178.99841	0.4
241.01360	0.2
257.04550	0.2
297.09521	0.2
419.10104	1.7
419.22672	1.5
419.60828	0.2
420.09448	0.2
420.23239	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41347	0.4
54.71479	0.4
58.20330	0.4
59.01376	100.0
60.01707	1.4
60.97998	0.4
61.46655	0.4
61.98825	1.1
69.88508	2.1
69.88914	0.8
71.01391	1.6
74.75011	0.4
77.21310	0.4
78.95910	0.8
85.02943	1.0
87.00874	0.4
88.98798	0.4
89.02460	0.5
96.96030	0.8
96.96970	2.3
98.02525	0.5
101.02445	0.6
113.02479	0.6
121.02975	0.9
122.91341	0.4
134.03754	25.6
135.04102	1.2
149.06093	55.1
150.06419	2.8
161.04570	0.9
164.04767	2.5
179.07120	1.7
181.05099	0.8
197.08199	28.0
198.08531	1.6
359.13541	0.5
401.08643	0.7
419.09964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1556
Annotation	7-O-Methylmorroniside
Peak:m/z	Relative Intensity
56.37962	0.7
56.92400	0.8
57.03434	1.2
58.00566	0.9
59.01102	1.0
59.01376	16.9
61.59906	0.7
61.98819	2.2
71.00997	1.0
71.01378	12.3
71.59428	1.0
72.99296	1.4
73.02956	3.8
75.00870	45.5
83.01363	1.3
85.02939	4.6
87.00861	2.0
87.04509	3.2
87.91189	0.7
89.02468	3.2
93.03464	2.5
95.01358	1.0
97.02969	1.1
99.00909	1.7
101.02434	6.7
108.02129	0.9
109.02969	1.8
109.06673	0.7
111.00838	1.1
111.08172	1.6
113.02455	2.9
117.03493	1.4
119.03522	1.0
119.05047	3.1
123.04497	0.8
125.02454	1.7
127.61301	0.6
129.01945	2.1
135.04553	0.7
135.08134	1.3
137.02449	5.9
137.09734	8.9
145.02965	7.8
146.03294	1.8
147.03532	1.0
151.00369	1.1
153.01924	1.0
154.90355	0.6
155.10783	60.9
156.11090	2.6
159.02989	0.7
160.88113	0.6
161.04588	0.7
162.82033	0.7
163.04004	2.2
165.01892	1.2
169.12354	1.3
173.04532	2.2
173.08147	1.1
177.04099	0.9
181.05022	0.7
181.08711	2.1
190.69911	0.6
191.05641	1.2
195.05063	0.8
199.09753	23.7
200.10081	1.2
213.11307	2.1
219.05013	4.0
220.41234	0.7
237.06189	4.1
241.10733	5.1
243.07173	0.7
287.15094	0.8
301.12836	0.9
307.08130	1.5
331.50699	0.8
361.14905	0.8
401.14594	3.2
404.13626	1.0
407.21286	0.7
419.15530	100.0
420.15887	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	419.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64700	0.4
57.03438	1.1
58.00600	0.5
59.01377	18.2
60.04541	0.4
61.98835	2.9
68.97954	0.4
68.99834	1.1
69.67137	0.9
69.67554	2.1
71.01385	11.0
72.99314	0.7
73.02951	1.4
75.00874	0.6
83.01389	1.4
85.02953	4.2
87.00887	1.1
89.02449	4.6
92.02725	0.6
93.03468	49.8
94.03813	1.9
95.01385	2.1
96.99340	1.4
98.20573	0.7
99.00909	0.7
101.02457	6.9
107.05031	1.1
108.02192	2.7
109.02982	1.2
111.00911	0.5
113.02470	6.1
115.85184	0.4
117.03497	1.1
119.03543	1.2
119.05034	6.3
121.02994	2.7
123.04531	0.7
125.02473	1.1
135.04539	1.9
136.01671	9.2
137.02461	100.0
137.06088	1.8
138.02786	3.4
145.02966	3.9
146.03247	1.1
147.04539	0.9
149.02440	2.2
151.04013	4.4
152.01170	2.1
153.01921	0.5
153.12927	0.6
155.10788	1.1
161.04543	0.6
163.04001	1.8
168.92749	0.5
173.04555	0.9
174.51396	0.5
177.04045	0.7
179.03510	27.7
180.03880	1.4
191.03577	1.5
191.05528	0.5
197.11902	4.0
199.09692	0.5
209.04527	2.7
221.04510	1.5
227.03552	0.5
239.03377	0.9
239.05623	12.1
240.05882	1.0
256.03699	0.6
281.06668	11.0
282.06943	0.7
285.04263	0.5
288.09436	0.5
419.09482	29.6
419.13562	49.8
420.09933	4.9
420.13977	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	419.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13700	0.3
59.01376	4.8
60.13080	0.3
61.98832	2.4
65.03963	7.3
67.01891	2.8
70.18092	0.3
71.01375	1.4
71.66072	0.6
73.02961	0.5
76.96752	0.3
85.02962	1.0
85.40680	0.3
89.02441	0.6
91.01914	0.8
93.03468	1.2
101.02463	1.2
105.91666	0.3
108.02209	1.2
109.02964	100.0
110.03299	3.0
113.02431	0.3
117.54971	0.3
119.03468	0.3
119.05065	0.5
121.02965	6.5
133.02992	0.3
133.17023	0.3
135.00899	5.2
135.04541	0.5
137.02473	0.7
151.00374	0.7
152.01132	0.6
153.01953	66.6
154.02304	2.4
155.02696	0.4
161.04466	0.4
163.04042	0.3
172.53128	0.3
177.01863	0.9
189.01888	1.6
190.02684	0.9
193.23637	0.3
216.00562	1.3
217.01396	0.9
218.02124	0.3
229.01425	0.5
242.02223	0.6
325.07159	1.9
359.21707	0.5
389.37271	0.3
419.09851	16.0
419.19397	0.6
419.25201	1.1
420.10065	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1345
Annotation	Monnieraside I
Peak:m/z	Relative Intensity
55.01864	0.7
57.03437	0.4
58.00614	0.4
59.01376	13.8
61.98825	2.3
63.17458	0.4
64.70472	0.3
67.96598	0.3
68.99828	1.0
71.01382	10.6
71.59614	0.5
72.99313	0.7
73.02949	1.4
75.00877	0.6
80.43999	0.3
83.01395	1.6
84.23960	0.4
85.02957	3.8
87.00887	1.0
89.02458	4.3
93.03465	48.2
94.03818	1.7
95.01389	2.4
96.99313	0.9
99.00883	0.8
101.02452	6.6
105.65952	0.4
107.05041	1.4
108.02187	4.9
109.02960	1.1
113.02466	4.7
117.03445	0.4
119.03537	1.2
119.05038	5.1
121.02978	3.0
123.04560	0.7
125.02538	0.4
133.02921	0.5
135.04550	1.3
136.01672	8.7
137.02458	100.0
137.06107	1.7
138.02792	4.3
145.02979	2.0
147.04529	0.5
149.02428	1.3
151.04034	3.6
152.01120	2.9
153.01968	0.5
155.10841	0.7
161.04523	0.4
163.04008	1.2
166.02628	0.6
173.04581	1.2
179.03510	25.4
180.03879	1.8
181.04988	0.4
182.05382	0.5
189.52890	0.4
191.03487	1.5
191.05185	0.4
197.11841	0.5
209.04584	3.3
221.04527	1.0
239.05597	13.3
240.05899	0.6
241.08646	0.5
247.28490	0.4
281.06656	9.5
281.09644	0.7
282.07028	0.6
285.03931	0.4
297.06161	1.4
419.09460	24.3
419.13602	54.1
420.09833	3.1
420.13898	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	419.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08571	0.1
57.03477	0.2
59.01373	1.1
65.19499	0.1
69.03436	0.2
69.67724	1.1
70.59344	0.1
71.01372	0.8
71.59962	0.1
73.02944	0.4
75.00865	0.2
81.03466	0.8
83.01414	0.3
85.02962	0.8
89.02475	0.2
93.03475	0.6
95.01402	0.4
99.00857	0.2
101.02466	0.7
102.58281	0.2
107.05003	0.3
108.02187	100.0
109.03011	14.6
109.04037	0.2
110.03314	0.5
113.02463	0.4
119.05055	0.2
121.02970	4.9
123.00909	0.4
123.04543	1.0
125.02461	0.2
133.02977	0.8
134.03773	0.3
135.00905	0.4
135.04546	0.5
137.02458	0.3
137.09738	0.8
138.09996	0.2
145.02948	0.2
151.04027	2.3
152.01169	53.5
153.01962	18.2
154.02309	0.5
155.10803	4.8
156.11159	0.2
163.04004	1.6
163.38046	0.1
165.01987	0.8
177.01883	0.2
179.03529	0.3
180.73790	0.2
181.05104	0.2
181.08754	0.3
185.06160	0.3
190.06386	0.2
191.07150	0.2
195.02985	0.2
199.09776	1.1
213.05661	0.2
225.04123	0.2
257.04694	0.2
297.06085	0.6
389.16052	0.6
419.09833	65.4
419.19205	5.9
420.10159	7.8
420.19296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64700	0.4
57.03438	1.1
58.00600	0.5
59.01377	18.2
60.04541	0.4
61.98835	2.9
68.97954	0.4
68.99834	1.1
69.67137	0.9
69.67554	2.1
71.01385	11.0
72.99314	0.7
73.02951	1.4
75.00874	0.6
83.01389	1.4
85.02953	4.2
87.00887	1.1
89.02449	4.6
92.02725	0.6
93.03468	49.8
94.03813	1.9
95.01385	2.1
96.99340	1.4
98.20573	0.7
99.00909	0.7
101.02457	6.9
107.05031	1.1
108.02192	2.7
109.02982	1.2
111.00911	0.5
113.02470	6.1
115.85184	0.4
117.03497	1.1
119.03543	1.2
119.05034	6.3
121.02994	2.7
123.04531	0.7
125.02473	1.1
135.04539	1.9
136.01671	9.2
137.02461	100.0
137.06088	1.8
138.02786	3.4
145.02966	3.9
146.03247	1.1
147.04539	0.9
149.02440	2.2
151.04013	4.4
152.01170	2.1
153.01921	0.5
153.12927	0.6
155.10788	1.1
161.04543	0.6
163.04001	1.8
168.92749	0.5
173.04555	0.9
174.51396	0.5
177.04045	0.7
179.03510	27.7
180.03880	1.4
191.03577	1.5
191.05528	0.5
197.11902	4.0
199.09692	0.5
209.04527	2.7
221.04510	1.5
227.03552	0.5
239.03377	0.9
239.05623	12.1
240.05882	1.0
256.03699	0.6
281.06668	11.0
282.06943	0.7
285.04263	0.5
288.09436	0.5
419.09482	29.6
419.13562	49.8
420.09933	4.9
420.13977	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	419.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
57.03437	1.1
57.39332	0.4
59.01377	10.2
60.79436	0.3
61.98834	3.5
68.99812	0.7
69.50845	3.0
70.11683	0.4
71.01378	7.3
71.05039	0.5
72.99294	0.7
73.02951	1.9
74.01890	0.4
74.02441	0.5
75.00870	1.8
83.01387	1.9
83.05069	0.6
85.02960	3.3
87.00887	2.2
89.02438	1.3
93.03464	82.9
94.03809	2.2
95.01384	1.1
96.99318	0.5
97.02952	0.9
97.06605	0.4
99.00894	1.2
99.04534	0.4
101.02459	4.7
106.06615	1.0
107.04983	0.5
108.02159	1.0
109.02949	1.8
111.00945	0.4
113.02475	3.0
116.03519	0.4
119.05029	1.0
121.02953	1.9
123.04519	2.0
125.02464	1.3
129.01945	1.4
134.03796	0.7
135.04515	0.4
136.01666	1.3
137.02457	100.0
137.09717	1.5
138.02785	3.8
139.00378	0.5
141.01921	0.5
145.01903	0.5
145.02994	1.7
147.04488	0.8
148.03978	0.6
150.05621	1.3
151.00377	1.8
151.04024	1.5
153.01901	0.5
155.10857	2.0
159.02979	0.5
161.04553	1.0
162.03221	0.7
163.03983	1.5
164.07236	0.4
165.01930	0.7
165.05528	0.7
173.04555	0.7
174.03296	0.5
175.04007	1.8
175.05374	0.4
176.04785	0.7
177.04114	3.8
177.05632	0.8
178.99864	1.2
179.03479	1.4
179.10815	0.8
179.84518	0.4
180.04265	1.2
183.10246	0.8
189.05540	0.6
190.06375	1.7
191.07178	1.2
193.05078	1.5
195.05035	1.4
195.06606	0.8
197.11713	1.9
199.09775	1.6
205.05042	1.1
205.08746	1.2
207.06503	0.5
208.07442	0.7
212.04758	2.9
213.05542	1.2
221.04625	0.7
223.06175	0.7
225.07813	0.7
241.10799	1.7
273.03998	1.8
281.06653	41.0
281.09167	1.6
282.06940	3.6
286.27097	0.4
299.10217	0.9
315.21698	0.7
316.22073	0.8
331.13409	0.4
356.09818	0.8
375.10870	0.7
383.13531	0.5
389.16144	6.3
390.16168	0.6
401.12256	3.8
419.09906	42.5
419.15277	3.6
420.10318	5.2
420.15329	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0984
Annotation	Aromadendrin 3-beta-L-arabinopyranoside
Peak:m/z	Relative Intensity
53.02788	1.4
57.03437	2.8
59.01381	32.2
61.98831	35.5
65.19459	1.1
68.80031	1.1
69.03455	2.4
71.01386	17.1
72.99320	3.8
73.02956	3.4
75.00881	4.1
81.03461	5.6
83.01400	11.4
83.05038	8.2
85.02970	7.4
87.00883	4.0
87.43458	1.2
88.98856	1.5
89.02456	11.7
93.03473	12.3
95.05014	4.1
97.02953	9.7
99.00867	3.8
101.02452	7.2
102.98586	1.7
107.03616	1.2
107.05025	4.0
107.71445	1.2
108.02187	3.7
109.02218	2.0
109.02962	35.5
109.06626	2.3
111.00905	4.0
111.04526	2.6
112.98828	7.9
113.02467	6.6
113.99592	2.7
119.03564	2.7
119.05013	3.0
121.02963	7.5
121.06609	2.3
122.03766	6.9
123.04541	56.1
123.08148	3.5
124.04895	1.8
125.02460	4.8
125.06098	18.8
127.04023	5.6
135.04523	5.7
135.08170	4.2
137.02466	13.4
137.06035	1.9
137.09705	3.8
138.02789	2.4
139.03008	2.5
139.04021	6.4
139.07616	2.1
143.07170	4.0
145.02954	6.2
146.03767	3.0
147.04527	3.2
149.02457	14.7
149.06070	3.8
150.03238	3.0
151.04034	16.8
151.07721	2.4
153.01939	3.1
159.03081	1.2
159.04558	3.5
161.02464	9.7
161.04672	2.2
161.06087	10.5
162.03230	5.9
163.00363	3.5
163.03989	6.5
163.07658	4.9
164.01215	1.3
165.01910	2.6
165.05559	6.8
165.09174	1.4
167.07123	2.8
169.05133	6.5
172.00165	3.4
173.04559	6.8
175.04021	4.5
177.01981	6.1
177.04063	2.9
177.05524	5.1
177.09109	1.4
179.03505	5.9
179.07132	4.3
180.03856	1.7
183.39821	1.4
187.03978	5.0
187.06117	1.5
188.04807	3.6
189.01939	1.5
189.05609	7.2
191.03519	9.8
191.05583	4.3
191.07182	5.4
194.05817	8.5
195.05019	2.3
195.06635	2.4
197.08177	3.6
203.07193	7.3
205.01447	3.8
205.05034	17.8
206.05659	2.1
207.02972	1.4
207.06805	1.7
209.08199	13.5
219.02931	2.5
221.08211	5.5
223.06172	5.9
229.05124	2.0
231.02992	4.0
233.04575	1.6
239.09169	2.2
245.11905	1.8
247.06117	7.8
253.10808	2.0
254.97382	1.6
254.99951	1.6
267.05081	3.9
269.12119	1.5
271.09756	3.8
271.15637	1.9
276.01428	1.5
279.08762	1.9
285.07553	2.1
287.12845	9.5
289.07297	1.7
289.10788	2.2
313.07404	1.6
313.10858	5.1
315.08405	1.5
323.07770	17.7
324.07996	1.9
329.06726	11.0
331.11917	2.3
339.08777	5.4
341.06702	7.3
344.09143	1.6
357.09753	5.7
358.10504	3.9
359.07440	2.7
359.11456	6.7
373.12869	6.9
375.10754	10.6
383.10162	8.9
389.12259	2.3
401.08759	100.0
402.09094	12.5
404.14877	6.4
419.09854	93.5
419.15076	13.2
419.19168	4.6
420.10239	13.5
420.15460	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	419.0982
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
51.44901	0.6
53.97126	0.6
59.01371	2.0
69.36115	2.9
69.36540	4.9
71.01381	1.6
73.39797	0.7
73.45682	0.7
81.03445	1.2
93.03492	0.9
98.19960	1.7
108.02182	100.0
109.03010	16.9
116.37080	0.8
121.02978	4.3
123.04526	0.8
135.00903	0.8
137.02454	1.3
137.18967	0.8
146.38000	0.8
151.03983	2.2
152.01164	53.5
153.01961	18.4
155.10783	3.6
163.04044	2.1
165.01950	1.4
268.87253	0.7
281.68851	0.7
316.41534	0.7
326.22491	0.9
408.20621	0.8
419.09805	68.0
419.19135	3.7
420.10120	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	419.0983
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01395	0.6
63.60841	0.4
74.69696	0.4
80.87446	0.4
81.03477	0.8
85.02952	0.9
91.01885	0.8
108.02183	12.4
108.02912	0.8
109.02965	100.0
110.03282	3.2
121.02962	6.9
123.00903	2.3
123.04510	0.7
151.04016	0.8
152.01169	15.1
153.01953	74.9
154.02275	2.8
155.10789	0.5
195.03023	0.7
211.68745	0.5
217.05048	0.5
223.77396	0.5
230.53000	0.4
279.05115	0.5
280.38052	0.5
297.06134	2.0
419.09830	72.0
420.10159	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3012
Annotation	Maesaquinone
Peak:m/z	Relative Intensity
57.03446	0.3
57.79746	0.2
59.01383	1.3
60.99312	1.0
61.98833	0.5
62.07416	0.2
71.05031	0.3
71.49068	0.3
73.02951	0.2
77.00663	0.7
79.00248	0.9
79.11303	0.2
83.05042	0.3
101.54708	0.2
102.78704	0.2
109.06650	0.3
123.08173	0.2
127.25545	0.2
129.71373	0.2
215.64412	0.2
321.25967	0.3
325.25351	0.7
337.21689	1.3
337.25220	0.3
337.29102	0.3
338.22153	0.3
339.22733	0.9
351.26923	0.4
353.28601	1.7
354.28986	0.2
355.30270	0.4
356.30539	0.2
357.24292	2.5
358.24692	0.3
369.27945	0.5
371.29523	2.9
372.30103	0.3
373.30896	0.4
399.29053	7.9
400.29755	0.9
415.28751	0.2
417.30173	100.0
418.30496	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47124	0.2
55.01880	3.8
57.03448	4.4
57.07330	0.3
58.00596	4.0
59.01379	79.5
60.01706	0.7
61.98822	0.7
68.79592	0.2
68.99801	0.3
69.03464	0.9
69.46325	2.4
70.44409	0.2
71.01385	100.0
71.05021	0.4
72.01717	1.7
72.99315	5.2
73.02951	20.2
75.00865	1.4
81.03490	0.3
82.16248	0.2
83.01395	10.9
84.01746	0.3
84.02183	0.5
85.02958	33.6
86.03281	0.6
87.00876	5.1
87.04518	2.6
89.02452	58.5
90.02795	0.8
95.01395	7.3
97.02968	1.6
98.19904	0.6
99.00896	8.6
101.02454	72.6
102.02802	1.7
106.24907	0.3
111.00909	0.9
112.01660	0.5
113.02460	41.3
114.02804	1.1
115.04017	0.3
115.20196	0.3
117.74810	0.3
119.03516	26.1
120.03853	0.5
121.02976	0.7
122.86257	0.2
125.02460	2.0
129.01947	1.2
131.03529	3.1
137.09816	0.3
139.00342	0.4
143.03519	7.9
144.03842	0.5
149.04572	1.9
151.00374	0.6
155.10854	0.5
155.41786	0.2
159.01675	0.3
159.03009	7.2
161.04576	41.9
162.04930	1.5
169.12379	0.2
174.89909	0.2
179.05623	11.4
179.14441	0.3
180.05992	0.3
185.15347	0.3
205.03539	1.5
227.03500	0.5
255.02937	0.5
255.19650	5.2
256.20084	0.4
269.04224	0.3
270.04434	0.4
271.05978	1.0
284.03323	0.5
285.03860	0.4
367.92136	0.3
417.24963	49.6
418.20099	0.5
418.25311	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	417.2648
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
59.01382	5.5
60.99296	1.2
61.98832	4.6
70.53065	0.4
71.01395	0.8
71.05003	0.8
71.58814	0.5
71.59233	0.5
71.73788	0.4
72.40205	0.5
73.02940	0.8
83.05050	1.6
85.90117	0.5
96.53668	0.4
101.02428	0.7
109.06593	0.8
121.03006	0.9
233.62436	0.5
255.02782	1.2
284.03290	0.9
325.22086	0.6
337.25592	1.8
339.19788	0.5
353.24942	2.3
355.26511	2.7
356.26965	0.7
357.20642	3.8
371.25974	2.7
372.26324	0.5
399.25430	6.6
400.26004	1.4
417.08533	1.5
417.26553	100.0
418.26877	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	417.2283
Annotation	CHEBI:69184
Peak:m/z	Relative Intensity
57.03438	2.3
59.01373	20.7
60.99292	1.2
61.50803	0.6
61.98831	4.8
71.01368	1.7
71.52628	0.8
71.73434	0.6
73.02950	4.0
76.06996	0.6
83.05034	0.8
84.27906	0.7
85.02943	0.7
101.02454	1.0
107.05079	1.0
109.06624	3.9
111.04506	0.6
113.02452	0.7
121.02960	1.1
132.43214	0.7
135.04553	0.7
161.04572	0.8
201.12827	0.7
227.03421	1.3
241.15862	0.9
255.02980	1.8
255.17575	0.9
257.19040	1.6
269.15280	1.1
271.16934	0.8
279.17545	4.2
284.03296	1.2
285.03799	0.9
293.19156	0.8
295.17529	0.9
295.20453	3.2
309.18719	0.9
311.20078	2.2
339.19687	8.1
340.19855	1.4
357.20715	59.2
358.21054	6.6
417.22687	100.0
418.23044	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	417.2285
Annotation	14-Deoxy-epsilon-caesalpin
Peak:m/z	Relative Intensity
51.80623	0.4
57.03448	2.6
59.01377	18.4
60.99311	0.9
61.98843	1.1
65.75780	0.3
70.15543	1.0
70.15958	0.6
71.01394	0.6
71.05036	0.5
73.02943	2.5
83.05048	0.9
89.02459	0.3
101.02430	0.4
109.06626	0.9
111.08155	0.4
121.02992	0.8
123.08202	1.1
137.09755	0.5
155.08698	0.3
184.67326	0.3
187.14937	0.5
201.12944	0.3
209.13582	0.3
227.03479	0.3
227.14468	0.4
255.03023	0.5
257.19095	1.4
269.15323	0.3
273.46539	0.3
279.17505	0.4
283.16989	0.4
284.03290	0.6
285.03891	0.5
293.19037	0.9
295.17279	0.6
295.20605	5.7
296.20898	0.6
299.63901	0.3
309.18692	1.0
311.20099	2.0
313.21799	0.4
339.19669	7.9
340.19968	1.2
357.20694	64.5
358.21085	7.6
373.23868	0.6
375.22073	0.6
417.22784	100.0
418.23114	14.8
418.28790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.3
57.03445	5.3
58.00590	2.8
58.31205	0.4
59.01375	69.8
60.01723	1.0
69.03455	0.9
71.01380	100.0
72.01722	0.7
72.99303	3.2
73.02943	23.4
75.00871	1.4
81.03482	0.5
82.27282	0.4
83.01391	10.4
85.02954	39.8
86.00132	0.4
86.03282	0.5
87.00872	4.4
87.04523	1.9
89.02446	39.8
89.71467	0.4
90.02749	0.6
95.01393	8.1
97.02972	1.6
97.49430	0.5
99.00883	10.0
100.01285	0.5
101.02450	66.4
102.02773	1.7
104.53853	0.4
107.05029	5.3
108.90317	0.4
111.00867	0.9
113.02455	42.8
114.02805	0.6
119.03513	16.4
121.02960	5.2
125.02465	1.6
129.01920	1.6
131.03508	1.6
143.03502	6.6
149.04611	1.6
151.04132	0.7
159.03009	8.9
161.04565	52.4
162.04890	1.4
179.05612	5.9
199.43188	0.4
205.03520	1.1
255.19664	3.5
256.19949	0.6
417.24921	62.9
418.25238	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	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48410	0.2
57.03463	0.4
59.01377	100.0
60.01714	0.9
61.98827	1.4
71.01392	1.3
71.16980	0.6
72.99327	0.3
73.02915	0.5
75.00871	1.4
85.02969	1.7
87.00893	0.5
89.02483	0.5
89.22303	0.3
95.01395	0.4
99.00908	0.7
101.02477	0.5
113.02485	2.1
121.03018	0.4
140.06451	0.3
161.04564	0.3
167.10765	3.0
167.11880	0.3
175.02435	0.3
213.83098	0.3
227.03435	0.6
232.96130	0.3
249.06195	1.4
255.03058	0.5
267.07217	1.9
284.03400	0.4
285.03986	0.5
357.20874	0.9
417.08438	0.5
417.17838	3.5
417.23184	2.3
418.18259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03444	2.4
58.00595	1.1
59.01378	100.0
60.01712	1.2
61.98832	24.7
69.03450	1.0
69.50000	0.7
69.50400	4.3
71.01384	33.6
71.05023	0.7
72.99323	2.0
73.02948	5.3
75.00879	5.4
83.01411	2.4
85.02956	10.8
87.00880	3.5
89.02452	26.1
90.02773	0.9
93.03477	2.1
95.01414	1.8
97.02983	0.8
99.00897	2.4
99.04522	0.8
101.02457	18.0
102.02801	0.8
109.03017	0.8
113.02463	12.7
115.04036	1.0
119.03519	11.8
120.03881	0.7
121.02999	2.4
121.58973	0.6
123.04577	2.4
125.02509	1.7
129.01950	3.0
131.03558	1.8
133.10262	1.1
135.04494	0.6
137.02457	5.2
143.03510	3.8
149.04626	1.1
149.09813	0.6
151.11320	1.5
159.03061	2.7
161.04579	22.2
162.04945	0.9
166.05162	1.5
173.34236	0.6
177.04051	9.0
177.05515	0.8
177.09235	5.2
179.03487	0.6
179.04041	0.8
179.05641	7.2
181.05087	1.0
186.09703	0.5
191.05739	1.0
195.05144	3.7
195.10234	3.2
205.03551	0.8
225.84723	0.8
227.03610	1.1
237.11546	0.7
239.09312	1.3
255.03110	1.0
255.08907	0.6
284.03354	0.7
289.68619	0.7
314.12500	1.5
357.15573	29.1
358.15820	3.5
417.08447	1.4
417.14053	10.9
417.18491	2.1
417.22430	1.1
418.14038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39899	0.3
59.01378	39.4
61.98809	0.4
70.16216	1.3
70.16637	0.5
71.01369	0.5
71.16766	0.3
93.03439	0.5
101.02442	0.4
108.02207	0.6
122.03732	1.1
122.70873	0.4
123.04533	1.0
137.02448	1.6
150.03239	43.2
151.03542	2.1
161.50578	0.3
162.03235	0.7
165.05582	47.3
166.05943	1.9
168.52182	0.3
177.05583	1.1
180.04288	10.0
195.06631	100.0
196.06967	5.4
287.97806	0.4
417.10022	0.8
417.14667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.2
57.03431	0.3
59.01373	1.9
61.98815	0.4
65.00316	0.2
67.01881	0.4
68.99812	0.2
69.03447	0.4
69.57130	0.2
71.01386	1.4
71.59197	0.3
73.02934	0.3
75.00854	0.2
77.36689	0.2
80.18750	0.1
81.03445	0.5
84.02152	0.3
85.02963	1.6
87.00886	0.2
89.02436	0.5
93.03458	0.7
95.01382	1.3
95.05012	0.4
101.02453	0.9
105.03457	0.2
106.04270	0.2
107.05029	0.5
108.02165	0.5
109.02959	4.2
111.00881	0.7
113.02458	0.5
117.03465	1.7
119.05018	0.6
121.02988	1.0
121.06585	0.3
123.00893	3.7
123.04517	0.7
124.01652	0.7
125.02465	1.6
131.05000	0.3
131.50328	0.2
133.02940	0.5
133.06543	0.1
135.00995	0.2
135.04509	0.3
136.01656	0.4
137.02457	16.9
138.02878	0.5
139.00392	0.8
139.04025	0.9
145.02962	6.6
147.04558	0.4
149.02429	2.0
149.06129	0.5
150.03270	0.7
151.00380	26.3
151.03981	2.2
152.01169	2.6
152.04800	3.4
153.01883	0.4
153.05428	0.3
154.02734	0.2
155.10779	1.1
159.04485	0.8
160.05286	0.2
161.02443	0.4
161.04596	0.4
162.03264	0.3
163.03999	1.3
164.01096	0.2
164.04843	0.4
165.01936	1.4
165.05605	0.3
166.02721	68.7
167.03400	5.4
168.04047	0.2
173.02457	0.6
173.04268	0.1
174.03175	0.3
175.03998	1.5
175.07613	0.3
176.04759	0.3
177.01949	3.9
177.05554	0.5
178.02666	0.7
179.03542	1.2
179.07118	0.4
181.05070	100.0
182.05402	4.5
184.03777	1.3
184.80276	0.2
187.03972	0.3
188.04793	0.4
189.05550	0.5
190.02708	0.4
190.06366	1.3
191.02011	0.2
191.03514	1.1
192.04276	1.2
193.05055	1.1
195.03018	0.8
195.10199	0.2
199.09706	0.7
202.02872	0.2
203.03442	0.7
203.06911	0.2
204.04219	0.3
205.05057	1.3
205.08687	2.3
205.16609	0.1
206.05771	0.2
207.06615	1.7
209.04521	0.4
217.05107	0.4
218.05791	0.3
219.06587	0.7
220.07294	0.2
221.04564	0.3
224.03285	0.2
225.07687	0.3
227.07137	0.3
233.08148	0.3
235.06131	0.2
248.77832	0.2
249.07942	0.2
253.04994	0.2
271.06088	0.3
283.06198	0.3
284.03223	0.3
285.03992	0.5
286.08502	0.2
299.05621	0.4
301.07196	0.5
307.08237	0.6
310.11792	0.2
313.07388	0.2
314.07977	0.4
316.09631	0.4
329.06647	0.2
329.10367	0.6
344.08972	0.3
356.12515	0.4
357.09842	0.7
359.11322	2.7
360.11621	0.4
369.09793	0.3
371.14969	1.2
372.08511	0.2
372.15555	0.2
385.12921	0.3
387.10815	17.4
388.11145	1.8
402.13181	13.1
403.13507	1.5
417.15649	38.7
418.16000	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	417.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47181	0.2
55.01860	0.4
57.03429	0.5
59.01091	0.4
59.01376	6.2
61.98828	18.5
65.85810	0.2
66.91607	0.2
69.38790	0.9
69.39213	1.2
71.01385	6.6
72.99312	0.4
73.02950	1.3
75.00869	1.0
77.03964	0.3
83.01389	0.5
85.02969	1.6
87.00881	0.6
88.98819	0.4
89.02444	2.6
95.01410	0.2
97.02973	0.6
98.20676	0.5
99.00891	0.7
101.02454	3.8
109.02983	0.3
113.02460	1.7
113.25892	0.2
119.03522	0.9
121.02966	100.0
122.03299	4.4
125.02430	0.2
129.01956	0.6
133.05084	2.4
135.04535	29.4
136.04863	1.1
137.02512	0.2
142.46561	0.2
143.03474	0.4
147.04437	0.2
151.04184	0.3
151.06137	6.1
161.04585	1.4
163.04021	4.4
175.03989	0.3
175.04576	0.2
175.06136	2.2
177.04059	2.1
193.05122	0.8
193.07196	0.3
195.05128	0.5
205.07071	0.2
217.07205	0.7
223.06107	1.2
239.09177	1.0
255.08508	0.3
283.08197	0.5
295.10345	9.1
296.10855	0.6
417.14059	5.7
417.19409	0.4
418.14456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24862	0.2
55.01862	0.3
57.03429	0.4
58.00577	0.3
59.01374	7.9
61.98827	10.9
69.52345	0.2
69.53128	1.5
69.53447	0.2
71.01379	8.5
71.05016	0.3
72.99306	0.5
73.02948	1.6
75.00873	1.4
83.01379	0.6
85.02965	2.5
87.00883	1.4
89.02441	5.3
91.01899	0.5
93.03484	0.4
95.01407	0.4
97.02950	0.7
98.19824	0.4
99.00867	0.9
101.02453	4.6
108.69897	0.2
109.02961	0.2
111.29691	0.2
113.02449	2.0
115.04002	0.3
119.03514	1.3
121.02964	100.0
122.03285	3.8
123.04530	0.2
125.02489	0.3
129.01973	0.6
131.03496	0.5
133.05070	0.8
135.04533	23.5
136.04832	1.3
137.02504	0.5
143.03543	0.5
151.06128	18.2
151.11188	0.4
152.06468	0.3
153.01944	0.7
159.02969	0.3
159.40726	0.2
161.04581	1.5
163.04019	2.9
175.06123	0.6
177.04044	1.7
178.99879	0.6
179.03444	0.2
193.05098	0.5
193.07101	0.4
195.05058	1.3
195.10255	0.4
208.66035	0.2
217.07219	0.5
223.06129	0.7
239.09285	0.3
249.03662	0.2
283.08295	0.5
295.10318	5.9
296.10461	0.4
321.45053	0.3
364.62448	0.2
399.09460	0.3
417.14154	7.3
418.14413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56859	0.5
55.01880	1.3
57.03442	3.0
58.00583	1.0
59.01378	28.5
61.98831	5.9
68.99828	0.7
69.03453	0.7
69.59418	5.0
70.76581	0.6
71.01385	20.7
72.99316	1.8
73.02950	5.7
75.00884	2.6
79.95735	0.6
83.01395	2.2
85.02958	8.2
87.00891	2.3
88.98819	1.0
89.02455	15.9
91.01916	0.7
93.03465	38.7
93.67348	0.6
94.03786	1.0
95.01399	1.8
97.02986	1.2
99.00887	2.2
99.04512	0.7
101.02452	13.4
103.04014	1.1
108.02174	1.2
109.02996	1.1
113.02448	7.2
117.05584	0.7
119.03497	4.2
121.02985	2.0
123.04527	1.8
124.01720	1.4
125.02489	4.3
129.01952	2.5
131.03529	3.6
135.04553	1.4
135.06659	4.7
136.01695	3.4
137.02460	100.0
138.02794	3.8
143.03496	0.7
147.05533	0.6
149.02528	1.2
149.04562	7.4
149.09769	1.2
149.99582	1.6
151.02242	5.6
151.04034	2.1
159.03003	0.9
161.04584	1.3
161.50381	0.5
163.04033	0.7
165.00163	1.2
168.00677	5.4
173.04604	0.9
177.04057	7.4
177.09210	0.7
179.02043	1.3
179.03502	14.4
181.08748	0.9
182.05908	1.6
191.05585	2.0
195.01242	2.7
195.05087	2.7
195.10242	1.7
207.10196	1.0
209.04573	2.0
221.04568	1.4
237.11266	0.9
239.00194	2.5
239.05594	7.6
239.09209	5.4
240.05824	0.7
240.09503	0.7
281.06534	2.9
356.06537	0.7
417.04846	6.4
417.13956	92.0
418.14346	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	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.0
58.00563	0.7
59.01384	9.2
61.98831	11.6
69.03461	3.1
70.98692	1.7
71.01048	0.7
71.01379	8.5
72.99267	1.1
73.02956	4.8
74.53613	0.6
75.00853	1.4
81.03428	1.5
83.01355	2.7
85.02947	4.7
87.00826	0.7
89.02454	4.0
93.02947	0.7
93.03472	11.3
95.01353	1.8
97.02950	3.0
99.00812	0.7
101.02461	4.1
101.72595	0.6
103.04031	3.3
107.01376	1.2
108.02198	1.0
109.02972	1.3
113.02412	2.0
119.03459	2.0
121.02972	55.9
122.03241	1.9
123.00890	7.0
123.04468	1.0
124.01681	29.5
125.02468	58.1
126.02747	2.2
129.01910	1.0
135.04543	9.3
135.06596	1.5
136.01630	0.8
137.02469	30.8
138.02782	1.3
149.99614	31.8
151.00153	2.3
151.04016	0.9
151.06134	7.2
154.70027	0.6
161.04530	0.9
163.03952	1.5
165.01819	1.2
166.06262	2.8
167.03435	2.3
168.00667	68.0
169.01402	6.2
175.06076	1.3
177.04039	1.7
179.03490	4.1
181.08717	3.8
191.03334	0.7
191.05661	0.9
239.05473	2.0
239.09140	1.2
295.10455	4.1
313.05386	2.4
329.14050	0.7
344.16885	0.6
399.08786	1.4
417.09924	100.0
418.10284	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
57.03441	0.3
58.00588	0.1
59.01088	0.2
59.01380	4.5
61.98827	1.6
67.40381	0.1
69.54850	1.0
71.01386	5.0
72.99311	0.4
73.02958	1.2
77.03989	0.2
83.01385	0.8
85.02956	2.1
87.00883	0.3
89.02464	2.5
93.03464	0.4
95.01432	0.2
99.00887	0.4
101.02454	3.9
102.02810	0.2
105.70351	0.1
107.23203	0.1
113.02466	2.0
119.03516	1.3
119.05070	0.1
121.02972	100.0
122.03298	3.9
135.04555	0.4
138.88394	0.1
143.03517	0.5
149.02466	0.2
149.04510	0.2
149.24855	0.1
159.03021	0.5
161.04588	2.1
163.04019	0.2
179.05611	0.4
205.05095	0.5
255.02823	0.1
255.19583	0.2
417.12167	1.7
417.20731	0.2
417.25073	1.8
418.12363	0.3
418.25348	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.5
59.01363	0.9
63.02400	0.3
69.38010	1.3
69.38422	0.7
69.44858	0.2
73.02921	0.3
83.01402	0.3
85.02962	0.7
89.02472	0.4
93.03470	0.5
98.37698	0.2
101.02454	0.4
107.01408	0.7
109.02994	0.4
125.02485	1.2
132.02193	0.4
135.00978	0.4
137.02461	0.6
137.09715	0.4
145.02922	0.5
151.00389	1.6
153.01997	0.4
153.93124	0.2
155.10799	2.7
163.00420	0.3
164.01239	0.6
165.01956	0.4
167.04951	0.3
169.01491	0.4
174.03214	0.5
178.99893	0.3
179.03517	0.6
181.05078	0.5
183.04507	1.0
185.06070	0.3
187.04054	0.4
195.04701	0.3
199.09781	0.8
201.05617	0.3
205.08743	0.3
211.04012	1.9
212.04785	0.2
227.03491	70.8
228.03824	5.2
229.04947	1.3
239.03464	0.7
241.04869	0.3
255.02972	90.1
256.03549	13.5
257.04315	0.9
284.03250	78.4
285.03928	23.5
286.04327	1.5
298.54840	0.3
322.52515	0.3
327.05161	0.9
367.12018	0.3
399.14420	0.3
417.08252	100.0
417.17401	3.0
418.08612	11.9
418.17529	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0827
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.49866	0.6
60.21141	0.6
63.54840	0.7
69.40516	0.6
69.40735	1.7
69.41138	4.0
83.01391	0.7
93.03455	1.0
98.19931	1.7
104.02879	0.7
107.01382	1.6
125.02410	1.3
132.02209	1.4
135.00880	1.0
135.04491	2.0
137.02419	1.1
151.00357	2.1
163.00383	1.2
174.03217	0.7
178.99899	1.0
185.06047	1.9
187.03995	1.0
211.03957	2.4
213.05807	1.4
227.03494	76.2
228.03865	5.8
229.05084	5.3
239.03448	1.1
255.02974	100.0
256.03522	15.9
257.04327	3.7
269.72870	0.8
284.03250	100.0
285.04007	90.5
286.04388	8.1
327.05200	1.3
417.08261	91.9
418.08530	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	417.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
57.03459	0.8
58.79398	0.4
59.01380	7.0
61.98830	10.6
69.03464	2.8
69.55322	1.0
69.55733	2.9
71.01389	6.5
71.01758	0.4
72.99306	0.5
73.02945	4.3
75.00904	1.2
81.03497	1.8
83.01419	1.7
85.02957	2.4
87.00910	0.7
89.02448	3.3
93.03468	8.7
95.01425	1.6
95.49935	0.4
97.02980	2.7
98.19918	1.0
99.00911	1.1
101.02457	2.9
103.04026	2.5
105.31689	0.5
106.17088	0.4
107.01448	0.6
108.02209	0.6
109.03002	1.2
113.02462	2.2
119.03534	1.0
121.02967	52.8
122.03337	2.0
123.00906	6.6
123.01742	0.6
124.00745	0.7
124.00902	0.5
124.01678	29.5
125.02464	50.6
126.02829	1.6
133.05066	1.1
135.04533	10.8
135.06651	1.3
136.01683	1.1
136.04863	0.6
137.02460	24.1
138.02832	1.2
145.05110	0.5
149.99605	30.9
151.00197	2.1
151.04015	1.0
151.06111	5.3
151.11230	0.5
161.04582	1.2
161.05919	0.4
163.04065	1.8
166.06371	3.1
167.03502	1.6
168.00655	67.8
169.01357	6.1
175.06100	0.6
177.04042	2.0
179.03462	2.9
181.08727	2.5
191.03516	0.5
191.05547	0.7
192.05952	0.5
195.05141	1.1
204.45163	0.4
209.04604	0.5
235.08290	0.5
239.05505	1.5
239.09213	1.2
256.80502	0.5
269.06552	0.6
281.06540	1.0
295.10416	4.3
313.05554	1.9
381.08334	0.6
389.64603	0.5
399.09253	1.1
417.10016	100.0
418.10089	9.0
418.14194	1.4
420.26785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.6
58.00597	1.2
59.01379	30.4
61.98834	7.1
63.11086	0.6
69.03484	0.7
69.74261	2.3
69.74689	2.7
71.01388	18.5
72.99325	3.1
73.02953	4.3
75.00880	17.1
81.03476	0.8
83.01415	2.4
85.02951	7.3
87.00902	2.8
89.02453	17.8
90.89846	0.8
92.02724	0.7
93.03467	42.4
94.03807	1.8
95.01396	2.5
96.97021	1.1
97.02956	1.9
98.19794	1.3
99.00888	3.4
101.02457	14.4
103.04051	0.9
107.05032	2.0
108.02182	2.5
109.02942	1.8
111.00951	0.9
113.02458	8.2
117.01969	1.3
119.03519	6.1
121.02991	1.9
123.00874	1.0
123.04535	1.1
124.01678	2.2
125.02459	6.7
129.01906	0.7
131.03477	1.0
135.03041	1.2
135.04568	1.9
135.06599	0.9
136.01677	15.0
137.02463	100.0
138.02769	3.7
143.03468	0.8
145.10262	0.9
146.78017	0.7
149.02452	2.3
149.04558	1.0
149.99606	2.0
150.03192	2.0
151.02209	1.6
151.04021	6.8
153.01936	1.3
153.09230	3.1
161.04538	2.8
163.04034	1.0
165.05580	2.0
165.44167	0.7
168.00655	4.7
169.01453	0.8
173.04536	1.2
177.04028	2.2
178.10626	0.7
179.03513	50.6
179.05502	2.5
180.03973	1.9
191.05598	6.5
192.05898	2.5
195.01161	0.9
195.05022	0.8
195.06577	2.5
207.10188	1.7
209.04570	5.7
211.13358	4.0
221.06587	1.5
222.01729	0.8
239.00320	1.5
239.05602	32.1
239.09177	1.5
240.05838	1.6
281.06476	1.2
297.08282	24.2
298.08606	1.3
299.07681	4.4
323.09662	1.7
341.08804	5.5
343.13525	0.9
354.09351	1.0
373.07837	1.4
391.51443	0.8
399.66043	0.8
417.10071	99.3
418.10333	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	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87806	0.2
59.01374	2.1
61.98832	12.6
62.26698	0.2
69.19170	0.2
69.46786	2.5
69.77795	0.3
69.98322	0.3
71.01380	1.1
73.02940	0.3
81.03513	0.4
83.05007	0.3
85.02959	5.8
87.00885	1.3
89.02453	0.6
91.24324	0.3
93.03455	3.7
97.57299	0.3
101.02422	0.4
109.02991	0.5
111.04536	0.7
125.02482	0.3
127.04040	1.3
134.03746	1.2
135.04602	1.3
137.02463	6.4
145.28557	0.2
148.37596	0.2
149.06119	0.3
150.06442	0.3
161.02490	1.5
171.02959	0.3
173.04582	2.0
177.04004	0.4
179.03511	1.9
191.05620	100.0
192.05971	4.2
193.05069	1.2
194.05402	1.3
239.05568	0.4
267.92966	0.3
353.08777	13.4
354.09143	1.1
416.12027	0.3
417.13632	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	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02487	0.9
54.64910	0.9
57.03436	2.1
59.01381	17.4
59.91592	0.9
61.40424	0.8
61.98832	25.6
67.01888	3.4
69.03458	1.8
71.01382	14.9
71.12979	1.0
72.99332	1.6
73.02940	3.7
75.00869	2.3
81.03474	1.9
83.01394	2.7
83.05026	2.0
83.74566	1.0
85.02959	15.3
87.00888	3.3
88.98816	1.1
89.02454	7.5
93.03465	49.0
94.03783	1.4
95.01408	1.9
97.02988	1.5
98.19877	3.0
99.00887	1.8
99.04542	1.1
101.02458	8.0
103.03963	1.1
107.05035	1.2
107.75741	1.1
108.02138	1.3
108.05239	0.9
109.02942	1.5
111.04504	6.5
113.02444	6.5
115.04034	1.2
119.03542	2.3
123.04575	1.1
124.01690	1.7
125.02448	6.8
127.04066	1.6
129.01993	1.3
133.02951	1.7
134.03795	2.6
135.04539	62.7
135.06654	4.1
136.01662	3.6
136.04869	3.6
137.02458	79.9
138.02841	1.7
149.09656	1.0
149.99585	1.7
151.00345	5.2
151.02222	1.3
151.04057	1.6
155.03528	5.2
161.02458	3.3
165.00136	1.2
168.00655	3.9
169.01439	2.2
173.04561	100.0
174.04852	5.0
177.04094	2.3
179.03510	79.1
180.03860	3.7
191.05627	60.6
192.05936	1.4
195.05067	1.5
209.04535	1.3
239.05630	5.4
239.09290	1.6
264.13358	1.2
269.97891	1.0
281.06717	3.1
340.97318	1.1
342.08911	1.5
350.36902	1.0
353.08777	74.0
354.09131	7.8
417.14120	78.9
427.97968	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2852
Annotation	6alpha-Testosterone Enanthate
Peak:m/z	Relative Intensity
59.01375	0.6
61.98820	0.9
70.78453	0.5
70.78802	0.2
71.01369	0.2
84.30031	0.2
100.39088	0.2
145.08740	0.3
175.57327	0.2
191.05559	0.2
204.64264	0.2
279.72491	0.2
355.22885	1.1
356.82947	0.2
379.74115	0.3
400.60623	0.2
415.28552	100.0
416.28906	15.6
432.80252	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2853
Annotation	CHEBI:68421
Peak:m/z	Relative Intensity
50.33496	0.2
52.04518	0.2
57.03438	0.2
59.01361	0.9
60.99293	1.0
61.98827	0.5
71.05009	0.3
71.59276	0.4
81.57902	0.2
83.05032	0.5
88.94340	0.2
108.35500	0.2
121.02899	0.2
123.08204	0.2
191.05583	0.4
285.22363	0.4
319.24286	0.3
323.23834	0.8
327.19583	0.5
335.27512	0.5
341.28461	0.3
351.26944	1.8
353.28403	0.4
369.28030	3.3
370.28351	0.5
397.27460	8.6
398.27780	1.2
413.27008	0.4
415.28513	100.0
416.28848	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	415.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75751	0.3
60.02898	0.4
62.78172	0.3
70.40766	1.2
71.01415	0.5
72.99311	11.6
73.02948	5.6
75.00876	71.2
76.01226	0.8
90.15465	0.3
226.84407	0.3
252.87915	0.4
293.09088	0.4
295.30154	1.1
321.31470	0.7
323.33215	0.8
401.77463	0.4
415.34268	100.0
416.34644	14.6
416.40311	0.6
435.42151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.6
57.03446	9.8
58.00595	3.5
59.01377	74.6
60.01723	0.8
61.98832	1.8
68.99798	0.6
69.03454	1.8
71.01382	100.0
71.05018	3.5
71.59709	0.7
72.01730	1.2
72.99304	5.0
73.02947	23.9
74.03294	0.5
74.34916	0.3
75.00870	2.2
81.03461	6.1
83.01390	12.2
83.01891	0.8
83.05044	0.5
84.02181	1.5
85.02958	40.5
86.00086	0.6
86.03307	0.9
87.00880	4.9
89.02451	48.0
90.02785	1.0
93.03443	2.7
94.34016	0.4
95.01391	8.3
97.02934	1.8
99.00887	9.5
99.04524	3.8
101.02452	74.3
102.02810	1.7
107.05021	0.4
109.02987	0.6
111.00903	1.8
113.02460	41.8
114.02808	1.2
119.03516	27.8
120.03903	0.7
121.02991	2.2
125.02483	2.2
125.09695	0.5
129.01939	1.6
131.03506	2.6
137.02470	4.7
137.09781	0.9
138.02806	0.6
139.00401	0.6
143.03525	5.9
144.03889	0.5
145.03001	0.6
147.11801	0.7
149.04601	2.1
151.00377	0.8
152.01164	0.4
155.10825	1.0
159.03004	6.7
159.06638	1.6
161.04567	38.7
162.04884	1.4
165.12880	0.5
167.31627	0.4
179.05615	6.8
181.08705	0.9
181.12375	1.2
191.05661	0.5
205.03516	1.4
217.16072	0.7
232.74658	0.4
235.17067	1.1
249.09766	0.8
253.18048	2.6
315.18152	2.4
327.18085	2.6
337.23715	0.4
343.17648	5.9
344.17953	0.5
345.19174	7.6
346.19553	0.8
355.25034	0.9
370.73059	0.4
387.27408	2.4
397.22409	3.3
415.23438	58.1
416.23798	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	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.7
57.03448	8.1
57.19910	0.3
58.00593	2.8
59.01379	55.4
60.01714	0.6
61.98837	0.5
67.01892	0.5
67.32816	0.3
67.50139	0.3
68.99839	0.4
69.03452	1.9
71.01385	100.0
71.05025	1.2
71.66006	0.3
71.66422	0.4
72.01743	1.8
72.99308	4.2
73.02952	29.1
74.03303	0.4
75.00887	1.7
81.03458	0.9
83.01396	11.7
83.05029	1.9
84.01713	0.4
84.02185	0.7
85.02959	42.5
86.00105	1.0
86.03297	0.9
87.00880	8.0
87.04533	0.9
89.02451	26.1
90.02769	0.4
93.03445	0.5
95.01405	7.7
97.02962	2.8
97.06576	0.4
99.00893	11.7
99.04541	0.4
101.02454	67.8
102.02812	0.8
111.00894	1.2
113.02465	40.5
114.02809	0.9
115.04037	0.4
117.03461	0.5
119.03516	11.3
119.04911	0.6
120.03827	0.3
121.02963	0.5
121.12991	0.3
123.04549	0.3
123.08205	0.4
125.02449	2.4
129.01947	2.0
131.03523	2.0
143.03510	5.9
145.02974	1.2
145.05083	4.8
146.41460	0.3
147.11816	1.2
149.04576	1.1
151.03987	0.4
159.03003	10.4
159.06624	0.9
160.03323	0.4
161.04573	61.8
162.04900	2.1
163.04050	0.9
165.12863	0.8
177.04062	0.3
179.05638	4.1
179.10759	0.6
179.14427	1.5
191.05548	0.3
205.03542	2.5
209.06728	0.4
217.16045	0.3
235.08221	26.9
235.17018	4.1
236.08507	1.4
249.09764	0.9
253.18068	1.3
345.19189	12.4
345.23453	0.6
346.19528	1.1
387.27539	0.7
397.22238	0.6
415.15445	2.3
415.23486	16.9
415.65314	1.1
416.23947	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	415.1612
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01874	2.5
57.03446	3.6
58.00591	3.8
58.00842	0.5
59.01378	84.7
60.01709	1.4
61.98833	7.6
69.03457	2.5
69.39616	0.6
69.78011	1.4
69.78436	2.3
70.87763	0.5
71.01385	82.7
72.01730	2.1
72.99310	4.7
73.02951	16.0
74.02477	0.6
75.00880	2.6
81.03426	0.7
83.01397	5.9
85.02953	20.8
87.00883	4.7
87.04540	0.6
89.02451	100.0
90.02760	1.4
93.03468	2.9
95.01395	2.7
97.02985	1.3
99.00883	5.8
99.04507	0.9
101.02456	47.0
101.37498	0.6
102.02765	0.9
107.05035	4.0
109.02962	0.7
110.55635	0.8
113.02460	22.4
117.05630	0.7
119.03517	13.5
120.03854	0.6
121.02966	23.2
122.03291	0.8
123.04534	3.5
123.14203	0.6
125.02447	4.3
129.01968	0.8
131.03520	24.3
132.03790	0.9
135.04543	22.4
136.04832	1.1
137.02464	5.1
143.03505	3.9
145.02931	1.0
149.04572	44.9
150.04875	1.4
153.05614	3.8
159.03017	1.1
161.04581	10.9
161.96622	0.6
163.02809	0.7
163.04012	2.5
164.04813	1.7
173.04555	1.4
177.04007	0.9
179.05579	7.9
179.07085	1.9
191.01947	1.4
191.05600	9.2
191.14433	3.2
205.06937	0.8
209.02922	1.5
223.05948	0.7
233.06670	0.7
235.13382	9.6
236.13649	0.9
255.02965	0.7
283.02332	2.4
283.08899	0.9
283.11893	15.8
284.11996	1.4
313.20090	1.7
327.39246	0.6
349.90588	0.5
415.11176	12.1
415.15988	8.0
416.07529	1.0
416.12186	1.6
433.56244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	2-Phenylethyl O-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.60400	0.4
55.01867	2.2
57.03454	2.5
58.00594	3.5
59.01377	83.1
60.01711	0.9
61.98824	1.7
69.03466	1.3
69.39664	3.1
69.40090	1.5
71.01382	76.9
72.01730	1.2
72.99313	3.6
73.02946	15.6
74.03326	0.4
75.00884	1.0
79.29703	0.4
81.03442	0.5
83.01396	4.0
85.02956	15.9
86.00111	1.5
87.00881	7.9
89.02448	100.0
90.02785	1.8
93.03474	4.2
93.24714	0.4
93.47658	0.4
95.01405	1.6
97.02973	1.4
99.00896	3.0
101.02453	44.8
102.02802	1.3
103.03994	1.3
108.02206	0.6
111.00908	0.8
113.02461	15.7
119.03516	6.8
121.02968	34.3
122.03297	1.5
123.04531	0.6
125.02488	2.2
129.01962	0.7
131.03517	37.7
132.03845	0.7
135.04538	26.9
136.01669	2.5
136.04849	1.1
137.02466	9.0
138.02754	0.6
139.33977	0.4
143.03473	1.2
145.02927	1.0
147.04552	0.6
149.04567	59.8
150.04855	1.3
151.04012	0.8
153.05513	0.5
159.02921	0.6
161.04572	10.1
163.04028	3.3
164.04630	0.4
173.04556	0.5
179.03470	7.1
179.05566	1.1
183.99362	0.4
187.09659	0.6
191.05621	18.3
191.07346	0.9
192.05905	0.5
193.04964	0.9
209.04521	1.3
223.06047	1.3
239.05515	3.8
251.07710	0.5
269.10211	3.1
283.08847	0.8
283.11862	11.9
284.12018	0.9
295.10300	1.8
415.12085	35.3
416.12158	3.3
427.46619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1611
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
50.67820	0.2
52.38014	0.2
54.02425	0.2
55.01879	1.0
56.99822	0.2
57.03451	1.5
58.00591	3.3
59.01377	80.9
60.01712	1.1
61.98835	1.7
69.03458	0.9
69.74715	0.8
69.75124	0.6
71.01383	70.1
72.01731	1.3
72.99309	3.5
73.02949	13.1
74.87883	0.2
75.00871	0.7
78.95898	0.2
81.03443	0.2
83.01391	2.9
85.02955	11.7
86.00127	0.2
86.03316	0.3
87.00881	2.7
89.02450	100.0
90.02763	1.3
93.03474	0.6
95.01418	1.2
96.63843	0.2
97.02949	1.1
99.00888	10.6
99.04528	0.4
101.02452	38.9
102.02773	1.0
109.02994	0.3
113.02457	14.1
114.02790	0.6
115.04004	0.5
117.03484	0.6
119.03513	11.0
119.04902	0.5
121.02973	7.1
122.03231	0.3
123.04501	0.5
125.02463	4.0
131.03519	23.3
132.03842	0.6
135.04536	5.5
136.04878	0.3
137.02487	1.6
143.03520	3.2
145.02936	1.6
146.03308	0.9
147.03572	0.4
149.04570	54.5
150.04909	1.7
151.04025	0.2
152.99582	0.3
161.04553	3.7
163.04007	0.8
179.05618	6.8
180.06018	0.5
191.05621	12.7
192.05980	0.5
193.08833	0.4
195.72600	0.2
209.03033	0.4
221.06612	0.7
251.07678	1.6
275.07663	0.3
283.11868	2.0
289.07059	0.9
293.08746	0.4
311.09726	0.4
313.20166	0.6
415.11630	1.6
415.16684	6.7
416.12531	0.4
416.16513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56245	0.6
55.01871	0.9
56.96652	0.6
57.03444	10.0
58.03775	1.6
59.01375	30.0
60.01714	1.5
61.98825	3.9
67.01888	0.8
69.03461	1.7
69.57790	1.0
69.58200	4.6
71.01382	18.1
72.99319	2.2
73.02937	4.9
74.02478	1.7
75.00876	2.1
83.01408	1.9
85.02959	11.5
85.63349	0.6
86.03289	1.0
87.00893	2.5
89.02446	30.6
89.12444	0.7
93.03458	2.2
95.01315	0.6
97.02995	0.9
99.00901	2.6
99.04522	6.6
100.04868	1.0
101.02451	9.2
101.04954	0.9
108.02197	1.3
109.02985	1.3
111.00919	1.2
113.02448	4.9
117.03467	0.8
119.03522	2.2
119.05000	1.7
121.02963	100.0
122.03303	3.5
123.04524	1.6
125.02466	4.9
126.02764	1.3
129.02000	0.9
131.03500	1.7
135.04533	77.3
136.04861	2.9
137.02457	2.1
143.03432	0.8
145.02974	2.9
146.03345	1.1
147.04524	1.0
149.04539	1.4
149.09648	0.7
151.04001	2.6
152.01198	0.8
153.01764	0.8
153.05579	1.1
161.04558	2.8
163.04016	9.4
167.03500	1.8
173.04536	2.8
173.05962	0.8
174.04892	0.8
175.04034	0.8
177.04143	1.4
183.04398	0.9
191.01953	2.1
191.05598	2.5
193.05046	1.7
209.02892	4.1
217.05026	0.8
223.06122	2.1
235.13370	2.5
255.02963	2.7
271.10907	0.7
283.02399	4.3
283.11694	1.4
313.20200	3.1
415.12271	90.8
416.07312	2.0
416.12457	10.3
416.22775	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10162	0.7
53.30573	0.6
55.01875	1.3
57.03449	1.3
59.01376	11.4
61.98823	1.7
64.16234	0.7
67.06645	0.6
69.37128	3.7
69.37555	2.7
71.01385	14.9
72.99327	1.0
73.02950	7.1
75.00890	1.0
83.01395	2.9
85.02963	9.9
85.05791	0.6
87.00887	4.6
88.98798	3.6
89.02457	2.9
93.03468	29.7
94.03818	1.6
95.01382	2.0
96.99300	0.7
99.00896	2.1
101.02453	8.2
108.02169	2.3
109.02948	1.8
113.02456	8.1
115.04038	1.2
119.03495	1.2
121.02947	2.2
122.72591	0.6
125.02462	2.5
131.03502	2.8
133.02965	3.6
135.04527	2.4
136.01674	5.0
137.02458	86.0
138.02779	3.2
143.03491	0.8
147.04596	0.8
149.02496	1.3
151.04057	2.6
152.01231	0.9
153.01910	1.0
161.02463	13.2
161.04506	3.5
168.00687	0.8
179.03506	19.8
180.03877	0.9
182.33456	0.7
191.03555	0.8
191.05586	2.8
191.10789	1.7
209.04558	7.8
210.04877	0.9
219.25703	0.7
221.04568	1.5
221.06572	1.2
233.04355	0.8
239.05582	18.7
240.05978	1.4
281.06631	3.1
299.07648	6.6
331.06677	2.2
341.08762	100.0
342.09088	8.4
379.16373	0.9
408.46155	0.8
415.11777	13.2
415.16696	3.8
435.48083	0.7
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
53.51178	0.6
57.03448	0.8
58.00589	1.7
59.01376	28.6
61.66740	0.6
61.98843	0.7
64.65160	0.7
67.81408	0.6
69.28309	5.0
69.28735	2.0
71.01384	27.7
72.99316	1.4
73.02950	13.3
73.40794	0.6
83.01384	1.4
85.02956	4.3
85.52306	0.6
87.00890	2.5
89.02447	49.6
93.03476	1.0
95.01376	0.7
99.00895	1.2
101.02446	13.0
103.04032	2.0
113.02477	4.5
119.03524	1.7
121.02966	100.0
122.03310	3.9
131.03510	12.8
135.04535	83.6
136.04861	3.6
137.02481	1.6
145.02858	0.8
149.04572	13.5
150.04823	0.7
161.04559	2.1
161.66750	0.6
163.04013	9.6
179.03529	1.8
191.05669	3.5
193.05077	1.0
223.06100	1.8
239.05722	1.0
283.08267	0.6
283.11920	2.7
415.12402	81.1
416.12811	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03449	1.5
59.01380	12.8
59.45366	0.3
69.03452	2.5
71.01384	17.8
71.33595	0.8
71.33966	0.4
72.99327	1.0
73.02950	6.2
75.00867	0.4
81.03448	2.0
83.01388	4.5
85.02956	8.7
87.00887	1.5
89.02454	6.4
95.01383	2.3
97.02966	3.4
99.00892	2.3
99.04525	1.4
101.02449	14.2
101.06085	2.9
102.29791	0.4
107.01417	1.5
107.05033	0.7
109.02982	0.5
113.02457	8.6
117.03485	0.9
119.03512	2.2
119.05042	0.8
121.02944	0.7
123.00907	5.0
123.84470	0.4
124.01684	16.4
125.02462	58.0
126.02777	1.9
137.02441	1.8
139.03903	0.4
143.03523	1.1
145.02965	4.0
149.99603	32.8
151.00380	2.2
159.02983	2.1
161.04581	12.0
163.04010	0.6
167.03500	0.5
168.00656	61.2
169.01373	5.4
179.05635	0.4
193.01443	0.7
194.83603	0.4
234.79672	0.4
235.17058	0.4
253.18063	0.7
307.08197	0.7
313.05582	0.7
341.19788	0.7
353.19693	9.9
354.20084	1.1
371.20731	2.2
385.18457	1.2
397.11453	3.9
397.18808	0.6
398.11349	0.6
415.12448	100.0
415.19382	7.1
416.12839	11.9
416.19696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.6
56.41418	0.4
57.03461	0.6
58.00599	0.7
59.01085	1.0
59.01379	16.6
61.98829	0.9
69.81942	1.3
69.82370	1.8
71.01384	14.4
72.99327	0.6
73.02951	10.3
75.46281	0.4
82.56328	0.6
83.01389	0.9
85.02959	2.1
87.00912	1.4
89.02453	34.4
93.03487	2.5
99.00882	0.7
101.02451	4.3
103.04018	1.6
108.02188	0.5
109.02967	1.5
113.02448	2.0
119.03519	0.6
121.02969	100.0
122.03313	3.9
125.02378	0.4
129.28180	0.4
131.03526	4.6
135.04541	80.4
136.04887	3.2
137.02477	4.6
143.52930	0.5
145.02951	0.7
149.04582	0.8
152.01180	1.2
153.01944	0.5
161.04602	0.8
163.04025	9.7
193.05025	1.0
217.05113	0.7
223.06094	2.4
415.12344	79.2
416.12704	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	0.2
59.01374	4.7
60.99326	0.1
61.98829	1.0
65.60885	0.1
69.03465	0.2
69.36156	1.2
71.01382	5.0
72.99314	0.3
73.02944	0.8
77.03980	0.3
77.11005	0.1
81.03457	0.3
83.01392	0.4
85.02941	0.9
87.00878	0.3
88.98819	0.8
89.02448	6.4
93.03465	1.5
95.01404	0.4
97.02944	0.6
98.19922	0.3
99.00901	0.3
101.02455	1.8
108.02187	1.5
109.02968	2.1
113.02454	1.0
119.03519	0.7
121.02966	100.0
122.03292	3.9
123.00902	0.2
125.02460	2.1
131.03522	1.4
135.04517	0.2
136.01669	0.4
137.02464	3.0
143.03546	0.2
145.02856	0.2
149.03485	0.2
149.04568	2.2
151.04018	0.2
152.01178	1.4
153.01942	1.5
163.04109	0.3
178.99829	0.2
179.03505	1.6
191.05650	1.0
196.89455	0.1
207.38213	0.1
209.04584	0.2
233.06726	0.9
239.05595	1.1
293.08777	3.2
294.09177	0.2
295.10342	0.6
299.07529	0.2
330.67804	0.1
355.10251	0.3
378.21820	0.1
415.12387	4.4
416.12769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
57.03440	3.2
58.00597	0.9
59.01378	34.7
60.99297	1.2
61.98828	15.2
64.32848	0.7
71.01387	31.1
71.62890	1.3
72.99302	1.4
73.02946	12.5
75.00874	2.1
78.95892	1.9
83.01399	5.9
84.12358	0.6
85.02962	17.5
87.00886	4.7
87.04530	1.2
88.98824	5.0
89.02445	7.7
93.03468	1.2
95.01395	2.0
96.96033	3.7
96.96982	2.8
97.02975	1.1
99.00901	6.1
99.92578	0.9
101.02459	34.8
101.06078	1.7
108.02190	1.1
108.04518	0.6
109.02921	1.1
113.02469	13.1
115.92115	1.4
118.03007	2.6
119.03490	0.8
119.05006	1.5
125.02455	2.0
128.66039	0.8
129.01964	1.8
131.03477	1.0
133.03046	0.7
136.04042	1.3
137.02493	0.8
143.03496	1.4
144.04559	2.5
149.04634	0.7
159.02992	2.5
161.02516	1.1
161.04559	13.6
162.05609	2.7
162.06818	0.9
163.04034	2.5
163.07607	1.2
176.01160	1.4
177.04050	0.9
188.03581	5.1
189.05696	1.0
191.03481	2.1
192.00600	1.0
195.05119	1.6
215.14084	0.6
218.10323	0.7
221.10307	100.0
222.10651	4.9
235.02556	1.4
237.09821	1.2
250.04883	0.9
251.05489	0.9
265.08798	0.8
276.92508	0.8
315.07401	1.0
353.14551	68.1
354.14810	6.9
413.11642	5.4
437.02521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79272	0.4
59.01377	100.0
60.01704	1.0
61.98828	1.3
68.19615	0.3
68.19994	0.4
69.83276	2.1
84.04769	0.3
98.20589	0.4
114.78550	0.4
351.78015	0.4
397.19125	0.4
413.31299	0.7
413.36462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
58.00593	0.7
59.01098	0.8
59.01382	13.5
61.98828	2.9
69.40670	2.6
69.41090	1.1
71.01382	12.9
71.05019	1.4
72.99318	0.6
73.02940	1.1
73.80302	0.4
82.52495	0.4
83.01382	1.3
85.02953	1.7
85.06596	0.4
87.00896	0.4
89.02451	3.7
92.76942	0.3
93.03481	2.1
95.01391	0.8
97.02953	0.6
99.00879	1.1
101.02470	4.0
108.02257	0.5
113.02435	2.6
119.03517	1.5
121.02969	100.0
122.03295	3.6
124.01714	1.8
125.02488	3.3
131.07144	1.5
135.04539	83.9
136.04877	3.3
137.02444	3.3
145.02974	0.4
147.04591	0.7
147.06651	3.0
149.99594	2.5
161.04587	1.4
163.04027	10.8
168.00656	3.9
169.01419	0.6
177.05600	0.5
179.03523	1.1
193.05084	1.0
202.59514	0.4
217.05103	0.7
223.06129	2.8
283.08383	0.7
293.12454	1.4
325.82635	0.4
381.04504	0.4
413.14630	64.8
413.61118	1.3
414.14954	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	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26902	0.5
56.65222	0.5
57.03445	8.7
59.01375	17.2
61.98830	9.9
69.58278	4.6
71.01385	7.7
73.02952	3.6
73.13268	0.6
75.00877	0.6
78.95914	2.0
79.25874	0.5
83.01411	1.4
85.02959	4.9
87.00917	1.4
89.02459	2.3
93.03464	1.8
95.01394	1.2
99.00859	0.9
99.04515	9.7
101.02446	9.1
105.03474	0.9
109.74670	0.6
113.02454	3.5
117.03488	0.7
119.03475	0.7
119.05017	0.9
121.02967	2.6
125.02484	4.3
129.01932	0.6
132.02187	14.8
133.02983	6.1
134.03761	13.3
135.04532	1.7
137.02457	3.7
139.03951	0.7
147.04538	15.0
149.06090	2.0
152.99567	2.8
160.01671	78.9
161.02422	8.0
161.04546	1.6
161.06029	1.0
173.04640	1.0
175.04010	100.0
175.14018	0.6
176.04317	4.7
177.01903	1.2
178.02695	1.6
179.03490	2.2
193.05048	15.3
194.05397	0.7
207.06648	1.1
269.10352	1.5
293.12476	1.2
381.12619	0.8
398.11978	1.1
413.14496	89.8
414.14822	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	413.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09937	1.1
57.03448	100.0
58.03782	1.9
59.01379	95.7
59.69779	1.2
60.01711	1.7
69.72372	8.5
71.01384	12.5
71.38408	1.0
73.02954	4.0
81.03442	2.4
83.01388	2.3
85.02968	7.0
87.00857	2.6
89.02479	2.8
95.01436	1.9
97.55215	1.2
98.20657	1.3
99.00866	1.5
99.04530	98.8
100.04896	1.8
101.01808	1.3
101.02461	24.9
113.02458	5.1
117.03481	2.2
119.05060	1.6
121.02969	14.1
125.02463	36.4
129.09953	1.2
133.02971	2.1
135.04532	7.4
143.03546	2.5
145.02982	10.0
147.04564	1.8
160.01741	1.8
161.02408	4.4
161.04552	7.6
163.04024	2.4
175.03992	2.5
193.74374	1.4
267.41910	1.3
269.10303	13.3
270.10504	1.2
291.07138	1.6
311.11133	2.1
361.44962	1.2
413.14545	14.0
414.14990	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	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03444	0.5
58.00594	1.1
59.01376	27.5
61.98828	5.3
62.24967	0.3
66.25208	0.3
67.06747	0.3
69.36665	1.6
69.37099	1.6
71.01381	11.0
72.99299	2.3
73.02941	2.1
73.68475	0.4
75.00888	0.5
83.01411	1.3
83.05032	1.1
85.02960	2.3
85.06608	0.4
87.00875	1.0
89.02453	2.4
93.03466	1.3
99.00864	1.0
99.04527	0.7
101.02448	4.3
101.06082	2.1
110.25078	0.4
111.04549	2.6
113.02440	1.9
119.03493	0.7
119.04974	0.3
121.02963	100.0
122.03294	3.4
125.02439	1.0
129.05588	16.2
130.05843	0.4
131.03558	0.4
135.04535	54.5
136.04861	2.9
137.02441	1.8
145.02966	0.8
146.03304	1.0
147.06647	6.7
151.00406	0.5
152.92963	0.3
153.01874	0.4
161.04623	0.8
163.04018	5.5
175.04140	0.5
179.05621	0.4
183.84689	0.3
189.05585	0.4
198.87988	0.4
202.06104	0.3
217.05086	0.4
223.06172	0.7
285.04034	0.4
291.10791	4.3
292.11328	0.4
413.14450	85.8
414.14822	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
57.03442	0.4
59.01380	5.3
61.98828	4.4
71.01380	4.7
71.59003	0.4
73.02950	2.1
75.00870	0.6
76.56245	0.2
76.88158	0.2
83.01390	0.6
85.02953	2.9
87.00883	0.8
87.04505	0.4
89.02438	1.8
93.03471	0.8
95.01425	0.4
99.00892	0.7
99.04585	0.4
101.02457	3.7
105.05591	0.6
107.05058	0.4
108.02222	0.2
113.02454	1.8
117.03476	22.9
118.03789	0.8
119.03544	0.8
119.05035	10.2
120.05400	0.7
121.02981	1.6
125.02494	0.3
133.02962	3.1
135.04562	1.1
137.02451	1.0
141.67639	0.3
145.02962	100.0
146.03300	5.3
147.04532	0.3
153.01967	0.3
161.02449	10.7
161.04599	0.6
161.06015	0.4
162.02771	0.4
163.04016	14.4
164.04367	0.7
165.04112	0.2
165.05484	0.5
171.90364	0.3
175.03996	0.5
179.03493	0.5
207.06564	0.4
233.29561	0.2
235.06148	0.5
237.06213	0.6
250.08519	0.5
251.09096	0.3
316.95938	0.2
355.10541	0.6
371.00137	0.2
395.13641	0.3
413.14478	56.7
414.14877	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	413.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.8
58.00590	0.9
59.01377	27.7
61.98834	6.0
65.28873	0.6
66.02522	0.6
69.29951	7.3
71.01386	18.9
72.26854	0.6
72.99322	1.2
73.02971	1.5
75.00895	1.2
78.95891	0.8
81.03476	0.8
83.01423	1.3
85.02964	3.2
87.00885	35.6
89.02451	18.9
93.03481	2.9
95.01424	0.9
97.06588	0.6
99.00923	1.3
101.02459	12.2
105.01994	2.7
109.02949	1.2
113.02451	7.5
117.03458	4.1
119.03579	9.0
119.05035	29.7
120.05354	0.8
121.02962	3.4
131.05043	1.4
132.05844	2.6
133.02942	1.0
133.06625	11.8
134.07025	0.8
135.04506	1.2
137.02480	2.2
139.00424	0.8
143.03470	0.8
145.02971	30.7
146.03261	1.0
147.04594	1.1
149.06146	1.1
159.04466	1.6
161.02452	2.3
161.06091	26.4
162.03175	0.8
162.06522	0.9
163.04024	40.3
164.04443	2.6
175.04010	0.8
177.05568	14.6
177.07098	0.7
178.05998	0.7
179.03435	1.1
187.03903	0.7
191.02005	0.8
191.03543	4.6
195.05048	0.8
205.05066	22.5
206.05473	2.1
235.06067	5.1
237.06122	1.8
244.92201	0.9
265.07150	9.3
266.07553	0.8
267.07190	100.0
268.07556	5.0
268.22043	0.8
359.42584	0.7
413.10822	77.5
414.11234	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	413.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14835	0.3
58.00589	0.3
59.01379	6.8
61.98830	5.5
65.95527	0.3
68.39305	0.3
71.01383	5.8
71.62904	0.5
72.99303	0.7
73.02946	2.8
75.00874	0.8
78.95910	49.1
79.95743	1.3
80.80028	0.4
83.01411	1.2
85.02486	0.5
85.02960	3.1
87.00874	1.3
87.04525	4.3
88.98799	1.2
89.02444	4.3
93.03462	0.7
95.01427	0.5
96.96023	50.1
96.96971	100.0
98.02502	0.5
99.00904	0.5
99.04535	0.5
99.92597	0.8
101.02451	6.6
101.06088	4.3
109.02987	0.9
113.02468	2.4
115.92116	0.7
117.05553	0.5
118.02970	0.5
119.03520	1.0
119.05013	0.4
121.02917	0.5
123.04552	4.6
125.02443	0.5
129.05620	0.5
131.03474	0.4
133.02945	0.5
135.04562	1.5
136.04066	0.6
137.02452	0.9
144.04448	0.4
147.53946	0.4
149.06078	0.6
151.04031	0.4
153.05591	10.7
154.05914	0.5
159.02994	0.4
161.04666	1.9
161.05850	0.4
162.05624	0.6
163.04012	0.5
163.06160	1.4
165.03854	0.5
173.04630	0.4
177.03970	0.3
181.07187	1.1
188.03508	1.3
189.05577	1.2
191.03572	0.4
192.00708	0.4
195.05141	0.6
205.07220	0.5
207.06601	1.7
221.10335	8.0
222.10590	0.5
235.02492	2.0
237.09853	1.7
250.04868	1.2
251.02461	0.9
251.05493	0.4
259.95224	0.3
300.41132	0.3
315.07214	1.6
315.10889	3.6
316.11218	0.4
325.11380	3.6
326.11664	0.6
353.14532	6.1
353.18512	0.7
354.14886	0.6
413.11206	3.0
413.16635	1.6
414.10858	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71741	0.7
59.01376	27.2
61.98827	10.5
69.56047	5.9
71.01382	15.7
72.99348	1.0
73.02968	1.4
75.00922	2.0
78.80141	0.7
78.95966	0.7
83.01427	0.8
85.02956	3.9
87.00882	32.1
88.96884	0.6
89.02448	19.0
93.03460	5.1
95.01426	1.4
101.02458	10.8
101.03085	0.7
105.01924	3.5
111.44395	0.7
113.02462	8.7
117.03464	5.2
119.03580	7.2
119.05040	29.4
120.05395	1.1
121.03011	2.6
123.04584	1.8
125.02464	1.0
132.05869	1.5
133.03050	1.6
133.06621	10.1
135.04561	1.8
136.77609	0.7
137.02516	2.8
143.03575	0.8
145.02968	30.8
146.03362	1.6
147.04584	1.9
149.02493	1.0
149.06168	1.6
151.71512	0.7
159.04529	1.5
160.01726	1.3
161.02492	3.0
161.06091	24.4
161.07420	1.2
162.03290	0.9
162.06442	1.5
163.04015	32.8
164.04413	1.7
173.04614	0.9
175.04051	1.9
177.05588	14.6
179.03471	1.5
187.04062	1.2
191.03522	5.0
191.05481	1.2
198.77097	0.7
205.05054	22.0
206.05501	1.3
235.06039	4.8
237.06161	1.7
251.05534	0.9
265.07159	10.2
266.07611	0.7
267.07187	100.0
268.07526	4.3
413.10751	78.7
414.10992	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	413.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.6
61.98830	3.0
62.73237	0.4
67.78153	0.5
71.01392	3.8
71.25623	1.1
71.27340	0.5
73.02943	0.9
78.95910	2.0
79.95735	0.6
85.02953	2.4
89.02429	0.9
93.03433	0.8
95.01410	0.9
96.96018	29.9
96.96931	3.7
97.02940	0.6
101.02428	1.2
108.02179	49.8
109.02988	14.3
110.03311	0.8
113.02448	1.5
114.93402	2.1
115.92048	0.5
121.03001	0.6
123.00876	0.9
123.04536	0.7
130.90598	0.4
133.02917	0.7
133.05028	0.6
151.04002	1.0
152.01163	45.1
153.01955	17.4
154.02275	0.6
163.04019	1.6
165.01883	1.4
187.01065	0.5
254.28769	0.5
315.07196	100.0
316.07513	7.9
339.10352	0.5
382.64987	0.6
413.00421	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31432	0.6
55.12209	0.6
59.01377	100.0
60.01716	0.7
69.24111	1.5
69.24525	5.3
86.19208	0.6
116.22839	0.5
142.82959	0.7
229.66811	0.6
233.46117	0.6
270.12546	0.6
317.82224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48758	0.2
52.67313	0.3
59.01377	100.0
60.01705	1.1
61.98861	0.3
66.92567	0.3
69.51116	1.2
69.51550	0.9
76.65416	0.3
78.23093	0.3
78.62698	0.3
78.95940	0.4
114.60555	0.3
121.22377	0.3
134.27721	0.3
162.17203	0.3
167.65565	0.3
170.85353	0.3
349.24316	0.3
380.53284	0.3
385.50763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94174	0.7
54.15029	0.8
55.01871	1.0
59.01375	17.5
61.98825	14.6
68.28803	0.9
71.01381	14.7
71.04994	0.9
71.62835	1.3
72.99312	2.5
73.02956	10.9
75.00869	3.1
78.95907	18.8
83.01401	2.1
85.02959	8.1
87.00885	3.7
87.04518	3.0
88.98806	5.4
89.02453	7.1
93.03462	5.2
95.01388	1.6
96.96017	28.3
96.96976	38.9
98.95624	4.7
98.96381	1.4
99.00900	3.2
99.92596	100.0
100.92609	5.3
100.93369	3.7
101.02457	12.2
101.06099	1.7
103.04021	2.9
107.05044	1.1
108.02187	1.1
109.02956	1.0
111.00916	0.9
113.02434	5.1
115.92088	78.8
116.92116	4.6
116.92867	54.1
117.05595	3.8
117.92870	3.7
119.03501	1.7
119.05059	2.3
121.02977	6.4
123.04521	2.0
125.02474	1.3
126.94947	9.7
135.04541	2.3
136.04027	1.6
141.93649	5.2
142.94467	4.9
149.02437	1.0
149.06093	1.4
151.04031	5.3
153.05566	4.0
159.03032	1.2
159.96242	8.6
161.04570	5.2
163.04016	2.4
168.95978	4.4
170.93909	4.1
171.94569	1.0
175.95728	1.3
177.04115	1.1
184.95445	4.2
188.03522	1.3
189.05565	2.0
191.03607	1.5
191.05666	1.0
191.95163	2.4
193.96727	1.8
196.95372	5.5
198.93481	0.9
204.95952	1.6
205.96686	4.1
207.06633	2.0
208.95526	1.7
211.94186	1.0
221.10292	15.0
226.96513	3.1
232.95549	1.3
234.97049	6.8
236.94969	13.9
237.09619	2.1
237.95212	1.4
241.95227	1.9
242.96017	3.3
244.97577	28.6
245.97710	2.9
249.09715	1.7
249.95706	6.9
251.05659	1.3
259.96127	1.3
260.97037	1.8
262.98660	10.4
278.98132	1.9
313.09259	1.4
315.10165	2.4
323.13422	1.6
325.11383	1.5
353.14481	17.7
353.18130	1.8
376.99658	2.9
395.00748	2.6
413.01880	24.4
413.10962	3.6
413.16357	1.3
414.01926	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	411.1662
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
50.08405	0.9
55.01852	1.1
57.03434	0.9
58.00582	2.3
59.01378	53.0
61.98824	9.2
70.49969	2.3
71.01385	27.6
72.99318	2.5
73.02940	1.1
81.03467	1.1
83.01402	2.8
85.02953	7.0
87.00903	1.8
89.02454	20.6
93.03490	1.3
95.01371	1.4
97.89995	0.7
101.02454	16.2
105.03486	2.2
113.02483	8.1
117.03496	1.8
119.03531	7.6
119.05025	2.3
121.02989	1.1
123.04525	17.1
131.03712	1.0
136.75621	0.7
143.03529	0.9
145.02969	6.1
147.04568	1.0
149.02464	7.5
159.04530	2.7
159.08209	0.9
161.03575	39.5
161.05814	1.4
162.03911	2.1
163.03970	2.3
165.05612	4.8
167.03543	0.9
172.05334	1.4
173.06104	5.5
179.05695	1.3
187.04065	2.4
187.07649	23.0
188.08110	1.2
201.05592	6.0
202.06355	33.0
203.06772	2.6
203.10704	1.1
205.05113	1.6
207.06633	10.4
213.09265	1.6
216.07944	2.6
220.07454	0.9
231.10252	44.8
232.10614	3.1
249.06129	1.9
249.11392	1.3
265.07199	3.2
295.29361	0.9
382.12738	1.0
411.12161	3.5
411.16626	100.0
412.16931	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	411.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.3
59.01376	24.0
61.98825	23.8
66.08940	1.2
66.76020	1.2
70.06335	2.3
70.06741	6.1
71.01381	100.0
72.99304	32.8
73.02957	4.5
78.95908	12.5
79.96684	1.2
80.96519	1.6
83.01366	2.7
85.02960	5.3
87.00877	37.5
88.98827	1.9
89.02460	6.3
96.32285	1.4
96.96006	8.4
96.96960	18.7
99.00900	4.2
101.02441	7.2
101.06065	2.4
112.98876	2.0
113.02464	4.1
115.00381	29.9
115.03984	1.3
116.92882	3.9
119.03458	2.3
119.05083	1.3
122.03730	2.6
129.01955	10.9
133.01465	3.2
133.05070	1.9
143.02008	4.2
147.03006	86.6
147.06651	5.1
148.03378	3.4
159.03130	3.0
161.04588	5.6
163.03923	1.5
165.05577	2.3
168.99947	4.0
179.05609	2.6
181.03561	2.0
189.05524	2.2
191.05589	1.8
195.06660	1.6
222.03856	4.5
223.04263	1.4
231.10480	1.4
248.01740	1.9
313.09299	3.5
351.05902	7.3
351.12894	2.9
351.16794	2.1
357.11993	2.1
411.08844	4.7
411.15021	3.9
413.70450	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.236
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
54.26084	0.2
54.58329	0.2
59.01387	0.3
61.98826	0.4
62.96388	0.4
69.49709	1.4
72.44890	0.2
78.95905	70.7
88.68607	0.2
96.96966	5.6
98.75642	0.2
150.98042	1.5
152.99596	100.0
153.99919	1.7
171.00664	2.8
236.95264	0.3
255.23207	2.4
256.23648	0.2
283.87277	0.2
409.23593	19.3
410.23978	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	409.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03449	1.1
58.00593	1.4
59.01375	100.0
60.01697	1.2
60.26316	0.6
61.98830	2.1
69.32083	6.6
71.01381	28.7
72.66122	0.6
72.99303	1.2
73.02944	4.2
75.00874	1.9
79.03711	0.5
83.01409	2.5
85.02956	8.3
87.00893	2.5
87.04522	1.4
89.02446	28.9
90.80099	0.7
95.01424	1.5
95.05091	0.5
98.20584	1.0
99.00899	2.9
101.02449	23.4
103.03995	1.0
104.83717	0.6
113.02453	14.2
113.09753	0.8
117.05658	1.0
119.02673	0.9
119.03510	13.6
119.04324	0.9
131.03477	1.3
143.03542	3.0
149.04591	1.1
159.03012	1.0
159.10280	4.7
159.11470	0.8
161.04590	11.1
179.05612	11.0
187.13373	4.6
198.96005	0.6
210.33638	0.6
217.10611	0.6
249.06236	1.0
295.10370	5.4
295.13492	0.8
338.28201	0.7
349.18646	44.4
350.19009	4.9
373.13202	0.6
409.17032	9.1
410.17783	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33654	0.7
51.10901	0.7
53.09901	0.7
54.07616	0.8
59.01380	5.7
61.98827	9.3
62.97019	1.0
69.57954	2.6
69.58376	3.1
71.01367	3.7
73.02935	1.2
75.00869	0.8
85.02953	2.2
89.02442	2.1
101.02442	2.9
109.02979	0.8
113.02458	1.6
117.03481	24.1
118.03828	1.2
119.05027	5.7
145.02974	100.0
146.03304	4.8
163.04030	6.6
215.88120	0.8
289.07227	1.1
343.21326	0.7
349.18787	2.3
409.15027	42.8
409.19711	1.9
410.15421	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03444	1.4
58.00583	1.2
59.01376	100.0
60.01725	1.2
60.46212	0.4
60.95733	0.5
61.98826	9.9
63.20184	0.5
69.41555	1.1
69.41974	3.6
71.01383	21.5
72.01691	0.5
72.68096	0.5
72.99313	1.4
73.02949	3.1
75.00892	2.2
83.01411	1.5
85.02956	5.8
87.00901	2.1
89.02446	25.9
95.01425	1.1
99.00835	0.6
101.02448	14.8
101.03087	0.9
102.02733	0.6
111.08194	0.6
113.02456	9.5
114.35946	0.5
119.03513	10.9
120.03887	0.7
131.03519	1.3
143.03566	3.1
149.04620	1.7
161.04591	7.5
161.08162	0.6
165.05568	0.8
179.05626	11.7
187.13454	2.2
191.05684	0.7
223.10368	0.5
339.42816	0.6
349.18668	23.7
350.19138	1.9
409.08319	2.0
409.12723	0.7
409.17209	1.8
409.21558	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34622	0.3
55.01883	0.3
59.01377	6.1
61.98831	4.9
71.01388	5.0
71.05013	0.5
71.59792	0.4
73.02951	1.4
75.00893	0.8
79.25011	0.2
83.01386	0.5
83.05045	0.5
85.02962	2.6
89.02457	2.5
93.03498	0.3
95.01392	0.7
99.00896	0.8
101.02448	3.0
101.06101	1.0
113.02468	2.1
117.03481	24.8
118.03793	0.7
119.03525	0.9
119.05038	5.7
121.02930	0.5
129.33339	0.3
145.02971	100.0
146.02246	0.6
146.03307	5.0
159.02951	0.4
161.04639	1.4
163.04036	6.9
179.05627	0.6
187.13365	0.8
195.05162	0.8
349.18661	4.6
350.19186	0.8
409.15030	49.1
410.15439	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	408.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82704	0.2
59.01377	5.7
60.01704	0.3
60.12160	0.2
60.59737	0.2
61.98829	100.0
67.47781	0.2
70.84008	0.2
71.01381	1.1
71.61790	0.3
72.08506	0.2
73.02962	0.4
84.87871	0.2
85.02978	0.6
87.00894	0.3
89.02479	0.6
90.50217	0.2
90.57787	0.2
93.03544	0.3
98.06864	0.2
101.02470	0.6
108.02188	2.5
109.02972	0.7
113.02471	0.4
145.02951	0.3
146.03346	0.3
152.01154	1.8
153.01994	1.0
153.30875	0.2
161.04620	0.5
174.03270	0.4
187.04053	0.8
191.05673	0.5
201.16464	0.2
202.06398	2.7
203.07228	0.4
229.08759	0.9
246.08882	0.3
348.17514	0.9
367.98422	0.3
370.12366	0.3
408.19373	0.7
409.07974	2.2
409.15060	0.6
409.28525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.4
59.01377	16.2
61.98826	13.6
67.01882	1.6
71.01383	2.7
72.99300	0.4
73.02959	0.6
75.00884	0.7
79.43935	0.4
81.03457	1.1
84.50584	0.4
85.02950	2.1
87.00883	0.6
89.02445	1.3
92.99848	0.4
93.03456	2.2
93.07088	0.3
95.01405	1.1
97.02935	0.4
98.20665	0.8
99.00875	0.4
101.02440	1.0
103.04002	0.4
107.04996	0.4
108.02180	100.0
109.02986	24.7
110.03294	1.0
111.00883	4.7
113.02451	1.0
118.62240	0.3
119.05083	0.4
121.02972	1.0
123.00883	1.0
123.04561	0.5
125.02438	0.7
131.05084	0.4
131.63570	0.5
133.02962	0.7
135.00926	0.7
135.04509	0.5
137.02428	0.6
145.02942	0.7
151.04012	2.0
152.01161	58.7
153.01958	23.1
154.02322	1.0
157.08536	0.3
161.04517	0.7
163.04015	1.4
165.01961	1.0
167.53238	0.4
173.04512	0.6
175.03975	1.0
177.04060	0.4
179.03510	0.5
191.05559	0.6
227.12852	0.4
261.13788	0.4
273.21451	0.4
297.06049	1.1
349.18634	1.0
359.35403	0.4
409.07748	72.8
410.08072	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	409.1503
Annotation	Pasakbumin C
Peak:m/z	Relative Intensity
55.01870	0.3
57.03445	0.4
58.90295	0.2
59.01381	1.9
61.98838	1.2
68.47334	0.2
69.35488	0.4
69.35909	1.0
71.01377	3.3
71.05017	0.5
73.02958	1.2
75.00905	0.3
83.01392	0.5
83.05038	0.5
85.02956	1.7
87.00869	0.3
87.01479	0.2
89.02467	0.2
95.01385	0.2
96.96021	3.6
97.02965	0.2
99.00872	0.4
101.02448	1.4
101.06091	1.0
104.36970	0.2
113.02449	1.1
117.03477	23.6
118.03784	1.0
119.05035	5.9
121.02966	0.5
125.02484	0.4
143.10675	0.2
145.02966	100.0
146.03302	4.9
146.30038	0.2
159.02951	0.2
161.04602	0.3
163.04019	5.7
164.04401	0.3
173.04546	0.2
190.11842	0.2
307.24765	0.2
349.18823	0.2
409.14987	43.9
410.15359	5.0
416.52966	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
56.52022	0.7
57.03447	1.6
58.00590	1.0
59.01377	100.0
60.01711	1.6
61.98830	18.3
70.47430	2.1
71.01384	26.2
72.99317	1.4
73.02947	14.3
75.00876	18.5
83.01377	3.7
83.86025	0.8
85.02950	11.6
85.03387	1.0
87.00889	3.5
87.04511	1.1
89.02450	11.6
93.03468	1.4
95.01403	2.0
95.05038	1.9
97.06618	0.9
99.00906	3.9
101.02454	23.4
113.02448	11.9
113.06124	2.1
114.02824	0.8
115.07593	1.0
119.03537	3.4
119.05042	1.3
125.02454	1.8
127.07669	2.1
131.03546	1.4
137.02502	1.2
137.06136	3.1
139.11285	0.8
143.03519	1.9
145.03001	3.0
148.91721	0.8
155.07137	1.5
159.03012	2.9
161.04567	14.4
165.09256	2.1
171.10274	1.4
173.04607	1.6
173.35899	0.7
179.05643	1.0
183.10303	1.5
185.11928	1.6
227.03551	0.9
245.04539	0.9
253.05064	0.8
255.03113	1.0
300.30374	0.8
311.09979	2.4
333.87552	0.7
347.17105	51.5
348.17490	3.7
365.18213	5.6
406.63214	1.0
407.07944	2.8
407.15244	3.8
407.19614	9.0
407.27057	8.9
408.13144	2.4
408.19498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2204
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
55.29785	0.4
58.07802	0.5
58.74697	0.4
59.01376	1.8
61.98823	1.2
62.96392	0.5
70.07245	2.0
71.02292	0.4
78.95905	100.0
82.85757	0.5
96.96968	8.3
110.05808	0.4
115.55032	0.5
150.98016	1.8
152.99599	93.5
153.99948	1.8
171.00647	75.7
172.01047	1.9
197.82056	0.5
236.80579	0.5
255.03001	0.7
302.86554	0.5
407.07803	1.4
407.21823	5.6
408.22073	0.8
429.79944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.6
58.50005	1.6
59.01102	2.2
59.01379	28.8
61.98580	1.5
61.98829	17.9
68.74541	1.4
69.36542	15.1
71.01380	9.6
72.71457	1.3
73.02946	3.3
83.01389	1.9
83.05030	2.3
85.02940	5.2
89.02442	4.4
93.03461	2.6
95.05022	1.9
96.96011	7.3
99.00845	1.8
101.02460	5.3
109.02931	4.7
113.02446	5.2
115.00378	1.7
123.04533	4.0
125.02419	3.5
126.47198	1.5
131.04956	1.7
137.02472	2.3
145.02916	2.1
151.04062	2.6
161.04533	4.6
171.04555	2.7
175.03978	3.1
178.01411	1.4
185.11789	4.2
187.04076	2.7
199.04015	3.5
200.04692	2.1
212.04828	1.6
213.05533	5.1
214.02722	4.1
227.03584	8.2
228.04288	8.0
242.02150	1.9
243.02980	12.1
245.04510	6.3
245.06961	2.0
253.04973	1.8
255.02968	46.7
256.03702	18.5
257.04474	9.9
269.04523	6.7
275.14944	2.4
281.04544	6.9
282.01675	4.7
283.02628	8.8
285.04034	7.4
288.02765	3.6
297.04065	2.7
347.17026	2.9
389.06293	4.0
407.07684	100.0
407.18405	17.2
407.26492	4.0
408.07977	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	407.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.9
59.01376	40.0
61.98828	19.8
69.03442	0.8
71.01382	5.8
71.56706	0.5
71.57098	1.1
72.99301	0.8
73.02945	6.0
75.00860	2.8
83.47806	0.5
85.02968	3.7
85.48119	0.5
87.00874	1.2
87.04527	1.0
89.01955	0.6
89.02429	4.6
89.29620	0.6
95.05064	0.7
97.06617	1.0
99.00895	0.8
99.04494	0.7
101.02452	4.7
109.06581	0.7
113.02448	2.4
117.03465	1.0
119.03477	0.9
119.05029	0.7
125.02464	0.7
129.01889	0.6
131.03474	0.8
137.02556	0.8
137.06120	1.1
137.09731	1.3
139.11307	33.9
140.11633	1.8
145.02979	3.8
155.10776	1.3
161.04533	0.7
163.03986	0.7
163.06119	0.6
163.11288	0.9
165.09238	0.7
171.10260	1.3
174.34816	0.6
177.04137	0.9
181.07181	1.2
181.12352	18.3
182.12729	0.8
183.10271	43.4
184.10637	3.0
199.09799	0.7
199.13402	10.2
200.13647	0.6
217.58652	0.7
225.11328	13.6
229.04948	0.8
241.23686	0.7
243.12354	61.2
244.07416	0.7
244.12729	5.3
245.13004	2.1
248.45628	0.7
275.15070	0.9
330.94656	0.7
347.16977	1.7
365.18558	1.0
367.14694	0.6
389.18463	1.6
389.25351	2.0
407.08337	2.9
407.19226	100.0
407.26382	8.9
408.13150	2.2
408.19583	11.2
408.26743	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.0
61.98832	6.0
64.81798	0.9
65.99857	2.0
69.31336	10.1
71.01372	5.4
73.02953	2.2
82.02989	7.5
83.01388	1.7
84.21128	1.3
85.02963	2.7
87.04556	1.1
87.74292	1.1
89.02455	3.4
101.02480	3.3
113.02477	2.3
125.02460	1.6
130.53001	1.1
136.04027	1.6
137.02516	1.1
160.04089	1.2
160.07671	2.5
161.03476	1.4
162.05661	1.2
164.03535	6.8
173.04744	1.1
174.05585	2.0
178.42667	1.0
179.03476	1.4
188.07260	3.8
189.03046	2.3
190.01512	1.5
191.04636	1.2
194.04506	1.3
194.18921	1.2
196.06047	1.4
202.08795	3.9
203.08499	1.3
204.05260	1.4
214.05147	1.3
214.08572	1.2
215.04677	3.6
215.08194	1.2
216.05426	6.3
216.07080	1.9
216.10359	2.1
217.02583	5.6
217.06122	8.2
218.06903	3.2
228.06615	2.6
229.06064	9.1
230.03328	2.2
230.06987	3.1
231.07744	13.2
232.08470	3.5
241.06204	4.0
242.03406	2.5
243.04102	20.0
243.07954	3.0
244.04817	13.9
244.09808	12.0
245.09224	7.4
248.09323	2.8
249.05247	1.6
255.02933	1.5
256.05005	6.6
257.05637	16.6
258.06427	7.2
259.07281	45.0
259.10843	7.8
260.07437	2.1
269.05917	1.8
269.09332	3.4
270.07458	1.7
271.07224	27.8
271.10046	1.8
272.07684	3.2
285.08728	5.4
287.10361	73.8
288.08554	4.4
288.10852	7.0
291.09875	11.3
292.10040	1.5
297.05365	1.6
298.06140	1.8
303.06189	1.6
303.09915	2.7
313.08273	100.0
314.08585	10.9
317.07932	1.7
319.12869	1.3
331.09332	61.0
332.09665	4.7
335.08765	2.3
345.10971	10.1
347.17209	5.7
357.07291	3.3
363.44577	1.1
371.09967	1.5
375.08328	28.4
376.08780	3.2
389.09744	5.8
407.11093	71.8
407.19543	2.5
408.11435	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	407.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	1.8
59.01377	27.7
61.98573	1.9
61.98833	20.3
66.77164	2.0
69.39238	19.6
71.01383	13.1
73.02955	4.0
78.95918	2.2
85.02968	4.4
89.02453	6.1
93.03484	2.8
96.96002	10.1
99.00875	2.6
101.02464	9.9
108.02171	2.0
109.02962	4.6
113.02451	7.2
121.02989	2.0
123.04526	4.7
127.56918	1.8
137.02437	5.0
161.04596	4.0
165.08388	1.9
175.03996	2.4
185.11839	3.6
199.03925	6.1
199.43399	1.8
200.04764	3.0
213.05574	3.7
214.02689	3.8
217.04958	4.7
225.05527	2.6
227.03525	11.6
228.04225	8.2
242.02147	2.4
243.02965	16.0
244.03435	2.3
245.04625	9.4
255.02974	50.5
256.03699	24.5
257.04459	7.6
269.04599	5.5
275.14932	2.9
281.04510	9.6
282.01645	3.9
282.04803	3.1
283.02399	6.0
285.04059	9.7
288.02774	3.2
297.03961	5.7
389.06500	2.2
407.07648	100.0
407.18295	26.1
407.26605	4.8
408.07892	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	405.2132
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01880	1.0
57.03445	2.9
58.00597	3.6
58.02959	0.6
59.01377	100.0
60.01714	1.3
61.98828	3.8
69.03478	0.2
71.01383	62.1
72.01722	1.1
72.63744	0.2
72.99313	4.1
73.02944	4.8
74.02477	1.4
75.00885	0.8
78.95928	0.2
81.03465	0.4
83.01393	2.8
83.05026	0.5
85.02956	12.2
86.02481	0.5
86.03304	0.3
86.36932	0.2
87.00879	3.7
87.05658	0.3
89.02451	70.9
90.02797	1.2
95.01400	4.3
95.29755	0.2
96.01782	0.2
97.02982	0.6
97.06592	0.3
99.00885	1.4
99.05655	0.9
101.02454	39.1
102.02782	0.8
109.02943	0.3
113.02462	25.6
113.06176	0.3
114.02787	0.8
119.03517	30.8
120.03836	0.6
123.08159	0.8
125.02459	1.0
125.03420	0.2
125.06078	0.5
127.05151	0.2
128.03554	2.5
129.01942	0.4
129.03902	0.6
129.10252	0.2
131.03523	2.9
135.00992	0.3
139.21498	0.2
141.06664	0.3
143.03517	5.7
143.04651	3.5
144.05034	1.1
145.02972	0.3
146.04657	0.5
149.04573	2.7
149.09779	0.3
151.11330	0.5
153.01959	3.4
153.09152	0.3
159.03040	1.3
160.00784	0.7
161.04575	13.3
162.04910	0.5
163.11287	1.6
165.09259	0.3
167.10774	0.7
168.04256	3.2
169.12326	0.3
179.05656	12.7
180.06107	0.3
181.12344	2.3
183.06647	3.6
183.10342	0.4
184.06981	0.3
198.06792	0.2
199.13341	0.3
205.03447	0.3
207.13925	0.4
209.54884	0.2
210.08846	0.6
211.09439	0.2
223.64728	0.2
225.14943	0.4
243.16000	6.3
244.16316	0.4
254.07803	0.6
255.08171	0.6
272.08835	1.6
273.09177	0.7
289.06796	0.4
306.07684	1.6
307.07971	2.6
308.07535	0.7
345.15549	0.6
359.10486	0.2
405.21356	38.7
406.16498	0.7
406.21628	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	407.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78653	0.7
58.00584	1.8
58.34513	0.5
59.01377	39.0
61.98833	2.8
62.25764	0.5
71.01382	18.4
71.05000	0.7
71.13322	0.6
71.13657	1.1
72.99310	2.1
73.02949	0.6
74.62897	0.5
75.00866	1.1
77.90434	0.6
78.95911	5.4
79.95725	0.9
83.01392	0.7
85.02956	3.8
87.00878	1.7
88.98787	0.6
89.02452	23.1
95.01380	1.5
96.96023	49.7
96.96932	6.8
99.00914	1.0
101.02455	15.7
101.94421	0.6
111.00916	0.6
113.02463	8.0
113.92640	1.6
119.03511	11.2
125.02425	0.6
140.90379	0.6
143.03558	0.7
147.06563	1.4
149.02654	0.6
161.04602	1.4
179.05605	1.5
255.03055	1.0
256.03546	0.6
273.24265	0.6
309.11905	100.0
310.12265	7.5
325.74826	0.7
347.13174	1.2
347.17200	0.8
407.07224	4.3
407.11887	2.4
408.02423	0.6
408.07822	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03444	5.3
58.00592	4.9
59.01377	100.0
60.01717	1.3
61.98826	2.7
67.01917	0.2
69.03455	0.6
70.26952	0.5
70.27342	0.7
71.01382	71.1
71.44604	0.3
72.01718	1.2
72.99312	4.9
73.02940	4.3
75.00871	0.7
83.01393	2.9
84.54077	0.3
85.02954	13.6
87.00872	3.6
89.02449	79.2
90.02784	1.2
95.01392	4.6
96.36964	0.2
97.02964	0.6
99.00875	1.6
99.04520	0.3
99.92570	0.3
101.02452	39.0
102.02779	0.6
111.00859	0.4
113.02459	26.9
114.02784	0.5
115.04025	0.6
116.92847	0.7
119.03514	34.8
119.04937	1.0
120.03876	0.6
123.08172	0.4
125.02431	1.2
125.06090	0.8
129.01924	0.3
131.03519	4.1
133.01440	0.3
139.07693	0.3
142.06363	0.3
143.03513	6.9
143.04626	0.4
149.04576	2.9
151.06587	0.3
159.03018	1.7
161.04564	16.1
163.04024	0.3
163.11208	0.4
167.10855	1.4
175.02371	0.4
179.05623	15.6
180.05940	0.3
181.12367	0.4
183.10310	2.1
198.95216	0.3
205.03526	0.3
241.00031	0.4
243.16010	1.8
271.08289	0.8
342.09085	0.4
345.15668	1.3
405.21313	27.9
406.21640	2.8
417.51328	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01883	1.8
57.03437	1.2
58.00578	1.1
59.01376	33.2
61.98828	2.1
70.93540	0.7
71.01382	21.0
72.99310	1.6
73.02941	4.0
75.00889	0.5
83.01382	2.8
85.02955	7.9
85.06587	2.0
87.00851	1.6
89.02448	10.6
95.01390	1.9
97.02966	0.4
97.06580	0.5
98.20126	0.3
99.00884	3.0
101.02449	13.0
102.62023	0.3
111.04549	0.3
113.02454	7.6
113.09692	0.5
119.03510	4.2
137.02460	0.4
143.03493	0.4
153.12888	0.3
155.10806	0.3
155.14424	6.8
159.03003	0.4
161.04578	1.9
165.71822	0.3
179.05614	1.2
181.12379	0.4
181.16000	3.1
199.13397	14.3
200.13771	1.0
225.14948	3.5
234.10919	0.3
243.06616	0.5
255.02971	0.9
306.36453	0.3
345.19339	1.5
387.20187	1.0
405.21277	100.0
406.21606	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	405.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
56.73589	0.8
57.03445	7.1
58.00583	2.0
59.01379	82.0
61.98829	4.7
68.99825	1.7
69.03458	4.1
71.01385	59.6
71.05023	1.0
71.64420	1.4
72.01730	1.1
72.99312	6.4
73.02950	3.9
75.00877	39.8
78.95892	0.9
83.01384	3.3
84.02164	1.3
85.02955	21.4
87.00883	13.9
89.02449	30.8
95.01385	2.7
96.96011	4.4
97.02943	4.7
99.00887	7.0
101.02455	22.0
108.02141	1.0
109.02952	0.8
111.00886	2.7
111.08163	1.7
113.02473	12.0
119.03519	13.0
119.05042	0.8
125.02462	0.9
127.11243	0.8
129.01958	17.8
137.02466	1.3
137.09666	0.7
141.01964	4.6
143.03519	1.7
145.02965	2.4
152.01114	1.1
153.12856	3.0
159.03001	7.7
161.04616	4.8
165.12862	17.0
177.04059	61.2
178.04427	2.0
179.05598	2.2
181.12398	2.0
183.13918	50.1
184.14214	3.2
191.68900	0.7
195.05110	24.2
197.15381	2.4
199.13441	5.7
207.13948	2.3
209.11836	2.0
219.08667	0.9
225.14828	3.7
227.12927	27.3
228.13235	1.4
243.06586	1.3
251.12915	1.1
255.03061	1.8
255.11357	2.9
269.13998	2.0
285.12427	10.2
286.12820	1.2
317.15103	2.3
329.11316	2.9
345.19101	2.6
387.16537	12.7
387.20798	1.0
388.16769	1.3
405.17465	100.0
405.21475	56.3
406.17218	12.8
406.21857	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	405.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
56.99813	0.3
57.03448	11.8
58.00593	4.4
58.03768	0.2
59.01378	100.0
60.01718	0.9
60.99298	0.2
61.98830	2.5
68.99824	0.2
69.03477	0.5
70.47242	0.6
71.01384	69.6
71.05007	0.2
72.01732	1.0
72.89704	0.2
72.99313	4.8
73.02942	2.5
74.02487	0.2
75.00877	0.6
78.03417	0.2
81.03453	0.4
83.01385	2.3
83.05034	0.5
84.02191	0.3
85.02956	11.9
87.00890	3.8
87.01433	0.2
87.04505	0.2
88.33980	0.1
89.02451	84.2
90.02772	1.4
95.01397	4.6
97.02966	0.6
97.06601	0.3
99.00899	0.8
99.04555	0.3
101.02455	36.8
102.02769	0.9
105.07113	0.2
107.04977	0.2
109.02891	0.2
109.06591	0.4
111.04533	0.3
111.08220	0.2
112.05295	0.5
113.02462	27.5
114.02784	0.8
115.04011	0.6
118.98049	0.2
119.03516	35.3
120.03864	0.7
120.09128	0.1
121.06566	0.4
122.03735	0.3
123.08179	1.3
125.02460	0.8
125.06084	1.1
125.09711	0.2
128.03546	0.6
129.03873	0.3
131.03520	4.0
134.07373	0.8
134.40424	0.2
135.08203	0.8
137.09706	0.7
139.07649	0.7
143.03532	5.7
143.04662	0.6
149.04573	2.6
149.09740	7.9
150.10092	0.3
153.01958	0.2
153.09225	4.9
159.02962	0.4
161.04582	7.1
162.04869	0.2
167.10788	17.0
168.11086	1.0
177.03468	0.2
179.05629	10.5
180.05984	0.4
189.16556	0.2
207.13890	0.7
209.11786	0.5
225.14941	1.2
243.15984	2.8
272.08752	0.3
273.09091	0.2
306.07529	0.4
307.07962	1.0
308.07446	0.4
405.13510	0.6
405.21597	3.5
406.17084	0.2
406.21664	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38617	0.5
57.03439	2.8
58.00585	0.6
59.01375	57.0
60.01727	0.8
61.98824	3.1
69.03475	0.6
69.28610	4.7
69.29018	1.6
71.01389	6.3
71.41245	0.6
72.01746	0.5
72.99310	0.6
73.02943	4.8
75.00874	1.1
77.86835	0.5
83.01410	1.0
83.05032	0.7
84.18697	0.5
85.02950	2.8
85.09467	0.5
87.00873	1.0
87.04518	0.6
89.02446	4.6
90.63954	0.4
93.03476	1.2
95.01400	0.6
95.05007	0.6
97.06614	0.5
98.20663	1.0
99.00894	0.7
101.02448	7.0
101.98763	0.5
104.16543	0.5
109.06620	1.1
109.15603	0.5
111.00935	0.6
111.08144	0.6
113.02467	2.4
119.03487	1.2
119.05052	1.3
123.04534	1.4
124.23658	0.5
125.02423	1.0
125.06067	1.2
127.07664	0.9
129.02074	0.5
131.03499	1.1
137.02483	1.5
137.06148	0.6
137.09731	0.8
139.11305	23.5
140.11635	1.0
143.03482	0.7
145.03041	0.8
149.04596	1.5
155.10803	1.0
156.74628	0.5
161.04530	1.0
163.04010	0.8
163.11336	1.1
165.09193	1.0
169.12357	0.9
173.04558	1.7
179.10715	0.5
181.12344	13.8
182.12660	1.0
183.10269	31.5
184.10558	1.6
187.09651	0.7
191.05649	0.6
192.05876	0.6
197.11815	1.1
199.13371	6.7
217.10730	0.8
225.09209	1.0
225.11299	13.4
226.11575	1.0
241.06239	1.0
243.12350	100.0
244.12720	7.2
257.13910	1.1
259.06140	1.2
281.06641	1.1
281.09338	0.9
283.10864	1.0
285.13428	28.9
286.13681	1.9
311.10153	2.5
315.14465	6.9
316.14728	0.9
329.11243	2.4
330.72952	0.6
345.15530	37.7
346.15887	3.4
357.13196	0.8
405.12143	1.9
405.17596	19.0
405.25385	3.7
406.17941	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.2
57.03444	7.4
58.00580	2.1
59.01377	66.1
61.98819	4.8
68.99805	1.3
69.03455	2.6
69.35462	1.1
69.35807	8.3
71.01383	50.8
71.66450	0.7
72.01746	0.8
72.99317	4.4
73.02953	2.9
75.00875	34.7
83.01401	2.4
84.02160	1.5
85.02960	20.4
87.00886	12.6
89.02448	23.6
95.01380	2.6
96.96033	3.3
97.02989	3.6
98.20689	1.7
99.00890	8.0
101.02450	17.7
111.00899	1.9
111.08166	1.0
113.02469	9.7
118.75673	0.8
119.03503	7.9
119.05051	1.5
129.01958	20.7
131.03554	1.5
137.09737	1.3
141.01952	4.9
142.17444	0.9
145.02943	2.2
150.38213	0.8
153.12852	1.8
155.75137	0.8
159.03001	8.4
161.04576	3.9
165.12866	15.5
177.04051	55.1
178.04453	1.8
179.05598	3.0
181.12366	0.8
183.13911	43.5
184.14246	2.6
189.12332	0.7
195.05103	27.8
196.05453	0.9
197.15469	1.2
199.13422	2.8
207.13889	1.2
209.11850	1.8
219.08694	1.3
225.14935	2.1
227.12920	23.6
228.13387	1.6
251.12718	1.7
255.02910	1.0
255.11366	2.6
269.13843	1.0
285.12430	6.7
294.18088	1.0
313.80786	0.9
317.15039	1.8
329.11340	2.4
345.19290	2.8
362.40750	0.9
382.22827	1.1
387.16443	10.5
387.20303	1.4
388.16635	1.0
405.17542	100.0
405.21530	42.5
406.17410	11.3
406.21872	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.1
57.08073	0.8
58.00603	0.9
59.01377	100.0
60.01698	1.2
61.98830	17.0
63.32274	0.7
65.15723	0.6
65.57242	0.7
69.03442	0.9
69.46497	0.6
71.01386	13.4
71.59433	0.9
72.99332	1.6
73.02941	4.3
74.99111	0.6
75.00883	1.9
83.01405	2.0
83.05068	1.2
85.02960	6.7
87.00906	2.4
87.04558	1.1
88.98825	1.5
89.02464	7.3
93.03462	10.6
95.01404	2.1
95.05045	1.8
96.99339	0.7
97.02982	0.6
99.00890	1.5
99.04531	1.2
99.80572	0.7
101.02451	10.4
102.28815	0.8
107.04915	0.6
108.02211	1.1
111.04535	0.8
113.02457	6.6
119.03548	2.7
121.02999	1.0
122.03796	0.6
123.00947	0.8
123.04539	40.5
124.04869	1.4
125.02443	1.5
125.09763	1.3
129.01979	1.2
136.01665	1.3
137.02458	21.0
137.09792	1.6
138.02910	1.3
139.11345	3.7
145.03026	1.0
147.04472	0.7
150.05634	0.9
151.00412	1.3
153.09216	1.0
155.10805	4.6
161.04626	2.6
163.04138	0.8
165.01932	1.3
165.09244	1.3
166.02776	1.5
173.04584	2.0
177.04143	1.4
179.03577	1.4
179.05693	1.7
179.10826	0.9
180.04271	1.1
181.05077	1.2
181.12416	2.0
183.10272	81.8
184.10658	6.3
191.05586	1.3
195.06761	1.0
197.11929	1.6
199.09818	2.1
207.10300	1.4
225.11385	2.5
243.06712	1.7
243.12349	9.9
267.07870	0.7
267.11520	0.8
281.06668	23.4
281.09192	2.0
282.07077	2.1
283.10995	0.8
285.12988	2.3
289.09808	1.0
293.09399	2.3
295.07306	1.1
297.04211	0.7
297.07874	1.0
311.10376	9.6
312.06601	1.6
312.10571	1.1
325.10471	0.8
327.08914	2.1
329.11392	5.8
333.19287	1.5
342.11404	0.7
345.15717	1.9
357.13525	5.5
373.10727	1.4
375.14285	1.1
405.12140	19.1
405.17642	9.3
405.25931	4.4
406.12671	3.5
406.17618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40290	0.5
57.03424	1.9
58.00581	0.8
59.01375	52.4
60.01683	0.8
61.98838	3.0
71.01375	7.3
71.05015	0.8
71.56897	0.8
72.99302	0.8
73.02943	3.6
75.00861	0.9
75.42715	0.5
76.04889	0.6
78.93935	0.5
83.01394	1.2
83.05050	0.5
85.02948	2.5
87.00871	1.1
87.04516	1.1
89.02454	5.2
90.14635	0.5
93.03457	1.2
95.01398	0.6
95.05016	0.7
97.02943	0.6
97.06609	0.8
99.04528	1.4
101.02457	6.4
108.00597	0.6
109.02985	0.7
109.06627	0.5
111.08126	0.5
113.02444	3.8
119.03526	2.2
125.02483	1.1
125.06079	0.7
127.07676	0.6
129.05586	0.8
131.03560	0.8
137.02483	0.7
139.11299	20.8
143.03481	0.6
154.11894	0.5
155.10715	0.6
161.04547	1.2
163.04051	0.7
163.11232	1.2
165.01926	1.0
165.09206	0.9
173.04565	1.7
179.05624	1.4
179.10857	0.8
181.12343	12.8
182.12703	0.7
183.10275	30.3
184.10606	1.5
187.09785	2.5
189.06667	1.0
191.05496	0.5
195.06627	1.2
197.11826	1.6
199.09828	0.8
199.13402	6.5
203.08170	0.8
207.10277	0.7
217.10806	3.2
225.07813	1.1
225.11316	12.2
226.11691	1.5
229.09875	0.8
241.06137	0.7
243.12355	100.0
244.12708	7.3
251.57974	0.6
257.13892	1.0
259.06039	0.7
273.13416	0.8
285.13428	19.9
286.13849	1.6
305.11356	1.6
311.10330	3.0
315.14447	3.9
316.14627	0.7
329.11542	1.4
345.15512	25.9
346.15833	2.0
395.22543	0.7
405.17303	13.2
405.25867	3.2
406.18063	1.3
415.00775	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
59.01380	100.0
60.01721	1.1
61.98833	6.7
69.03453	3.6
69.70676	1.1
69.71109	1.3
71.01382	5.4
71.05038	0.8
72.99314	1.0
73.02950	2.4
75.00880	0.8
83.01404	0.5
85.02969	2.3
87.00904	0.6
87.04521	0.6
89.02449	4.0
93.03484	0.5
95.01392	0.8
101.02454	4.5
109.06654	0.4
111.08191	1.1
113.02480	3.8
113.06068	0.5
117.03476	3.7
119.03547	1.9
119.05061	1.4
121.03033	0.5
123.08186	1.2
125.02476	0.6
137.06100	0.5
139.11310	6.7
143.03529	0.6
145.02972	20.5
146.03314	1.2
154.43701	0.3
155.10858	0.5
161.04593	2.2
163.04054	1.8
164.07085	0.5
173.04611	0.4
179.05693	0.9
181.07275	0.4
183.10275	56.3
184.10620	3.4
197.11827	1.7
201.11292	0.5
221.06613	0.8
225.11423	1.8
241.10817	1.0
243.12230	1.0
281.09222	1.2
285.12640	0.7
311.10385	4.0
312.10672	0.5
313.34106	0.4
329.11353	1.6
345.15656	1.9
369.11926	17.5
370.12183	1.8
405.12869	0.6
405.17096	2.6
405.25577	1.9
406.17398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
57.03441	2.8
58.00578	3.7
59.01378	100.0
60.01725	1.2
60.99286	1.3
61.98536	1.7
61.98833	25.5
65.52486	1.0
67.01908	1.2
67.37698	1.0
71.01383	53.0
72.01720	1.5
72.99308	5.6
73.02942	4.7
74.37901	1.0
75.00858	2.0
75.09518	1.0
78.95913	2.3
83.01392	2.4
83.05015	2.3
85.02953	14.4
85.56613	1.2
87.00880	6.5
88.98811	10.8
89.02451	68.1
95.01398	3.4
96.96012	1.3
97.06618	1.2
99.00894	1.4
99.92597	1.5
100.76321	1.0
101.01804	2.1
101.02454	31.2
111.00899	3.3
113.02459	22.4
115.03954	1.4
116.92827	2.5
119.02670	1.6
119.03518	29.2
119.05016	3.1
122.06136	3.8
125.02455	3.3
130.08696	1.1
131.03490	2.6
133.03033	1.1
135.04541	3.2
137.02432	1.4
137.09731	1.2
137.36980	1.1
137.99576	1.5
139.00446	1.4
143.03473	5.5
149.04559	2.3
149.09723	3.8
153.01929	13.3
154.02705	2.0
159.02971	1.2
161.02415	4.5
161.04579	12.5
162.02885	1.3
163.04025	2.0
163.11372	1.4
165.09218	1.3
167.10768	7.2
168.04295	5.8
169.05087	1.6
179.03468	2.7
179.05638	26.2
180.03886	1.3
180.05890	1.3
183.10231	3.8
191.01910	1.6
191.05695	2.2
195.05208	1.6
225.07869	1.5
243.08774	1.9
243.15987	3.2
245.12924	2.3
257.10257	1.7
282.93604	1.2
289.11945	3.5
333.10910	1.3
342.09183	1.7
343.10355	4.7
345.15790	4.9
405.09631	3.4
405.13696	4.6
405.21774	12.0
418.27225	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45457	2.9
57.03443	10.2
59.01377	100.0
61.98825	30.8
71.01386	41.8
71.59547	4.9
73.02941	13.0
75.00864	9.8
75.03591	3.4
83.05026	4.8
85.02951	17.9
87.04522	5.8
89.02467	21.1
93.03479	11.4
99.00865	5.3
101.02454	20.5
101.06139	4.2
108.30887	3.1
111.04519	6.5
113.02445	10.3
119.03523	4.4
119.05025	7.9
125.02476	7.2
129.01932	3.6
137.09764	4.9
139.00342	4.1
139.11287	12.5
145.02985	4.3
151.06039	3.6
155.10782	12.9
161.04666	4.6
173.04568	14.3
177.04022	7.0
179.10796	4.3
181.08679	6.2
181.12292	8.4
183.10312	28.6
191.05551	9.5
197.11871	8.8
199.09789	4.0
223.09763	4.6
225.11334	10.3
228.06685	4.0
241.10709	3.5
243.06580	13.0
243.12376	60.9
244.12662	7.1
281.09085	5.8
285.12851	13.1
311.10205	20.8
315.14346	3.9
329.11462	23.0
330.11581	5.4
345.15451	10.7
373.10083	8.0
405.12018	15.0
405.17395	43.4
405.20691	4.4
405.25781	20.8
423.35941	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	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03446	0.8
59.01381	4.5
61.98813	0.6
69.50599	2.0
69.50998	0.5
71.01382	7.1
71.05032	0.3
73.02949	5.8
75.00874	0.6
83.01382	1.6
83.05056	0.3
85.02956	3.7
87.00906	0.4
87.04520	0.5
89.02460	0.6
93.03471	0.4
95.01397	0.5
95.05058	0.7
97.02988	0.6
98.19954	0.3
99.00884	0.8
101.02457	6.2
113.02460	2.4
116.18983	0.4
121.06567	0.5
123.04530	0.3
129.01941	0.3
132.22507	0.3
135.08183	3.4
136.08533	0.5
137.09747	13.4
138.10065	0.7
141.94119	0.3
143.03564	0.3
155.10803	80.3
156.11153	4.3
159.02995	0.6
161.04593	1.8
181.08731	4.0
197.06088	0.4
199.07666	9.7
199.09770	16.6
200.08009	0.6
200.10094	1.0
223.08234	1.7
243.06592	3.2
244.06895	0.4
259.65799	0.3
372.10257	0.3
405.12137	7.1
405.17606	100.0
406.12735	0.5
406.17966	11.6
420.84189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11034	0.3
52.74140	0.3
59.01377	100.0
60.01709	1.1
60.99310	1.6
61.98832	1.4
69.48608	2.5
70.52264	0.3
71.01382	2.9
71.52178	0.3
72.99306	0.4
78.36349	0.3
78.95901	0.6
85.02960	0.7
88.98809	10.9
88.99348	0.6
89.02448	3.4
90.41972	0.3
96.96980	0.3
101.02419	1.5
108.81635	0.3
111.00893	0.5
113.02473	1.1
119.03539	1.2
119.05027	2.5
122.03830	0.4
153.01939	1.9
153.05614	1.0
161.04623	0.9
163.04001	2.2
167.03586	0.3
168.04292	3.7
179.05569	0.5
183.06633	16.7
184.07001	1.1
228.45517	0.3
241.00342	1.0
243.08777	0.4
246.55673	0.4
359.63367	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
57.03434	3.0
58.00587	5.3
59.01379	91.7
59.25458	1.1
60.99310	2.0
61.98826	8.2
62.80531	1.0
67.26630	1.1
69.65533	8.9
71.01386	58.2
71.40652	1.1
72.33317	1.0
72.99299	4.7
73.02942	3.5
78.95898	1.7
83.01398	2.9
85.02948	10.8
87.00880	10.8
88.98820	10.4
89.02454	81.3
95.01388	3.6
96.96967	2.8
99.01450	1.0
101.02452	32.3
105.01903	1.7
108.02190	1.4
111.00935	1.7
113.01721	1.5
113.02461	21.3
119.03522	30.7
119.04967	2.8
121.02952	2.9
126.09151	1.0
131.03487	2.9
137.02444	3.3
143.03499	4.1
149.02463	18.7
149.04521	2.3
152.01166	1.8
160.01721	1.5
161.04582	7.1
161.05708	1.2
163.03986	2.5
165.01927	7.2
167.03535	1.7
167.91711	1.0
175.03957	1.3
177.01945	100.0
178.02278	6.5
179.03499	11.8
179.05627	9.6
180.04271	8.4
191.03448	1.6
192.04297	49.4
193.04851	3.4
194.05811	4.9
195.02959	7.4
195.06645	21.6
203.20013	1.4
207.06616	12.0
208.07083	1.2
210.05377	8.2
225.07678	20.5
315.07217	2.0
344.45917	1.3
357.12045	1.6
387.12952	10.9
388.13315	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	CHEBI:76157
Peak:m/z	Relative Intensity
59.01373	0.8
61.98824	0.5
65.00310	0.6
65.03973	0.2
69.03447	0.3
71.01368	0.2
80.02677	0.4
81.03435	0.2
86.17264	0.2
91.01896	14.4
92.02222	0.4
93.03473	0.3
95.01402	0.7
97.02924	0.2
101.39209	0.1
107.01427	0.4
107.05036	0.6
108.02177	17.6
109.02985	4.1
111.00876	0.2
121.02927	0.8
123.00893	5.6
124.01685	0.6
135.00893	15.1
136.01253	0.4
137.02457	4.1
151.00423	0.3
151.18044	0.2
152.01157	17.2
153.01486	0.8
169.06596	0.2
197.06073	1.6
199.07622	0.6
213.05540	1.2
215.07144	0.7
216.07462	0.1
219.61685	0.1
225.05600	0.3
229.38199	0.2
237.04070	0.1
241.04941	0.4
242.05855	0.4
243.06590	100.0
244.06934	8.3
255.02971	0.3
318.04962	0.2
404.25092	0.4
405.11862	8.2
405.25513	1.1
406.12262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1193
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
55.01861	0.5
59.01373	3.7
61.98837	2.0
61.99586	0.4
64.12946	0.4
65.00321	0.5
68.99819	0.3
69.03455	69.7
70.03784	1.2
71.01384	1.7
71.65098	0.6
73.02957	0.6
79.01891	13.8
81.03458	4.5
83.01402	1.1
85.02949	2.2
88.98830	0.6
89.02485	0.6
91.01903	6.1
93.03467	2.1
94.03816	0.5
95.01392	8.0
96.01726	0.4
97.02961	42.7
97.37954	0.4
98.03304	1.4
101.02462	1.2
107.01398	47.7
107.04993	0.9
108.02212	13.9
109.02969	9.6
110.03307	0.4
113.02456	1.6
119.05042	0.6
121.02951	4.7
122.03786	0.6
123.00900	17.3
125.02460	97.6
126.02797	3.3
133.02983	2.4
134.03793	0.7
135.00900	27.1
135.04555	1.7
136.01698	6.5
137.02472	5.5
138.02802	1.1
139.03026	0.4
145.02946	1.0
149.02423	2.4
150.03238	0.5
151.00386	90.4
152.01180	14.4
153.01955	31.3
154.02254	1.1
161.02438	0.7
161.04559	0.5
162.03268	0.5
163.04033	6.9
165.01871	0.8
175.04004	0.7
177.01952	9.4
179.03511	0.8
181.06519	0.4
189.01956	0.7
191.03490	0.8
195.02977	0.9
197.06126	2.2
198.06868	1.2
207.01131	0.3
207.02866	2.0
213.05638	0.7
215.07137	0.6
219.02992	0.6
225.05530	1.4
242.05847	100.0
243.06584	81.1
244.06943	5.6
255.03017	0.8
255.06601	0.4
268.49606	0.4
285.07642	4.1
297.06042	8.6
298.06299	0.5
405.11908	65.0
406.12277	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	405.1195
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01381	3.3
61.19032	0.2
61.98822	0.9
65.00317	0.7
65.03964	2.2
67.01892	1.4
68.99809	0.7
69.47951	0.9
69.48382	1.6
71.01385	1.1
71.81139	0.3
80.02678	0.8
85.02966	0.4
89.02430	0.8
90.69495	0.2
91.01900	37.6
92.02245	0.9
92.75242	0.3
101.02451	0.8
107.05057	2.1
108.02187	6.2
109.02965	27.1
110.03323	0.7
119.04990	0.3
121.02972	1.7
123.00895	1.6
123.04579	0.3
124.01700	0.7
125.02436	1.0
129.01982	0.3
133.02953	1.2
135.00896	100.0
136.01180	3.1
137.02446	4.3
138.03238	0.8
145.03015	0.3
147.04651	0.3
149.02443	1.3
149.99593	0.8
151.03998	0.4
152.01184	3.0
153.01950	84.7
154.02284	3.3
161.02504	0.7
163.03958	0.3
168.00676	1.8
169.01392	0.4
175.03984	3.7
177.01935	2.9
189.01935	0.4
191.53662	0.3
193.05086	0.4
195.02878	0.3
197.06042	1.3
199.07558	0.3
222.06136	0.9
225.05565	0.7
243.06604	14.2
244.07216	3.3
253.07182	0.3
255.02943	0.3
266.00952	0.3
267.06516	0.3
279.75153	0.3
285.74365	0.3
297.06152	16.2
298.06534	1.5
313.36584	0.3
405.11703	18.1
405.20908	0.7
405.61115	1.5
406.12119	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	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32761	0.7
55.01870	1.2
57.03432	2.1
58.00589	2.0
58.02976	7.7
59.01377	53.2
60.01722	1.1
61.09808	0.7
61.98820	9.5
69.41102	3.6
69.41530	3.5
70.02988	1.2
71.01385	29.5
72.00909	1.4
72.99305	3.2
73.02952	4.7
74.02477	21.7
75.00896	1.0
76.44234	0.7
77.86225	0.7
78.95929	1.0
81.04588	1.2
82.02983	2.3
83.01402	1.5
84.04559	0.7
85.02962	8.4
86.02486	7.2
86.06117	0.9
86.99104	1.6
87.00877	2.8
87.05644	6.3
89.02448	32.9
90.00175	2.2
90.02826	1.0
95.01401	1.9
96.04498	0.8
97.04066	2.3
98.02487	0.8
99.00880	2.1
99.05650	18.3
101.02458	18.1
101.07203	2.6
102.05618	2.5
102.67259	0.8
107.06165	0.9
109.04080	2.8
109.07740	0.9
111.05625	1.0
112.04034	2.4
113.02464	12.7
113.03620	1.0
116.01729	1.5
119.02664	1.1
119.03513	17.2
123.05681	1.6
125.02453	0.9
125.03563	2.1
127.04288	1.0
127.05150	3.0
128.03552	48.0
129.02011	0.8
129.03886	1.2
131.03461	1.3
131.04590	1.4
135.04625	1.5
135.05643	4.5
137.07172	1.2
139.07721	0.8
141.06703	4.8
143.03603	3.6
143.04631	74.2
144.04997	1.6
145.06204	2.2
146.04558	6.3
149.04588	1.4
153.01962	1.7
153.06711	5.2
159.03000	1.0
160.00761	16.6
161.04546	4.1
163.44188	0.9
166.05101	2.8
166.09796	1.9
167.04562	5.1
167.08215	1.7
168.04260	1.0
177.03369	6.4
179.03192	1.3
179.04472	10.3
179.05896	1.8
181.06206	2.5
181.12306	1.9
184.10909	1.5
185.05661	3.1
192.07819	1.4
197.05659	2.4
198.06824	1.6
210.08838	12.2
211.09042	0.9
215.85686	0.9
228.09947	1.2
242.07919	2.1
242.14813	0.9
243.16029	4.2
243.62451	0.9
254.07802	19.5
255.08154	1.5
272.08850	32.2
273.09161	2.1
288.06601	13.7
306.07645	100.0
307.07864	6.5
341.08847	1.2
345.15555	2.0
404.15317	1.7
404.20102	4.3
405.13153	1.1
405.21442	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81218	0.3
59.01377	2.1
61.98829	100.0
69.48662	3.0
98.80280	0.3
133.15732	0.3
235.94101	0.3
255.03053	1.3
299.92413	0.3
404.25235	2.3
404.62198	0.3
405.06229	0.5
405.27588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02295	0.5
58.00572	0.8
59.01379	83.7
60.01686	0.7
60.99307	12.8
61.98821	7.1
67.01904	0.6
70.51402	1.8
71.01385	9.7
72.99332	0.7
73.02952	1.7
75.00908	0.6
78.95896	4.1
83.01389	0.6
85.02969	3.4
87.00872	2.3
88.98813	100.0
89.02451	10.6
89.99133	0.6
95.01369	1.2
96.96018	0.7
96.96977	2.1
99.00888	0.6
101.02467	5.0
111.00890	2.3
113.02454	4.8
119.02740	0.5
119.03543	4.0
119.05062	3.3
123.04528	2.5
125.02486	1.1
131.99170	0.6
135.04536	1.1
137.02516	1.1
143.03493	0.8
147.02983	0.6
151.04025	0.6
153.01881	2.3
153.05577	5.1
153.09245	0.6
161.02443	1.3
161.04538	2.3
163.04004	2.4
167.03474	0.8
167.07085	0.7
168.04323	3.2
179.03459	1.1
179.05617	1.6
181.05000	0.6
183.05099	0.9
183.06628	14.1
212.94043	0.9
241.00226	0.8
242.95226	0.8
243.08673	0.9
315.10855	0.9
405.05450	1.0
405.09894	1.8
405.14063	1.8
405.21170	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58704	0.2
59.01373	2.4
61.98830	100.0
70.38829	0.8
71.01383	1.1
72.04984	0.2
72.99323	0.4
74.51421	0.2
77.37674	0.2
78.95925	0.5
84.12597	0.2
89.02446	1.3
90.81226	0.2
93.03481	0.4
96.96989	0.7
101.02475	0.7
113.02495	0.6
116.66359	0.2
119.03522	0.4
119.05130	0.2
123.04555	0.2
133.03052	0.2
135.04543	0.5
137.02486	0.7
138.02827	0.5
150.91827	0.2
160.82214	0.2
161.02455	0.2
162.87672	0.2
165.05588	0.3
177.01932	0.9
179.03525	0.3
183.06630	0.3
192.04335	0.3
195.06613	0.3
198.99617	0.3
206.99986	0.3
222.99550	0.2
225.00897	0.2
285.03207	0.3
303.04266	2.0
305.05185	0.3
307.10303	0.3
345.05289	2.0
404.12900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.5
61.98829	100.0
64.80692	0.3
70.77878	0.3
70.78192	0.6
71.01377	0.4
98.20636	0.3
147.83629	0.3
165.04137	0.9
280.77545	0.3
344.12024	0.6
410.14404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33768	0.6
53.49803	0.7
54.56942	0.8
57.03448	3.9
58.00607	1.6
58.02984	8.0
59.01378	31.2
61.98831	8.5
70.02992	1.0
71.01382	14.1
71.61327	0.9
71.61745	0.8
72.00915	1.2
72.99301	1.1
73.02936	2.1
74.02477	21.0
75.00862	1.3
82.02999	2.4
83.01407	0.9
83.05032	1.0
84.04587	1.0
85.02960	3.9
86.02476	7.3
86.06133	0.9
86.99118	2.2
87.00900	1.2
87.05634	6.1
88.98814	0.8
89.02448	15.1
90.00212	2.7
91.11362	0.9
97.04089	1.4
98.06169	0.9
99.00895	1.8
99.05652	18.7
101.02451	9.6
101.07226	3.1
102.05621	2.2
109.04098	2.4
109.07721	1.5
111.05671	1.3
112.04081	2.6
113.02438	6.1
113.03646	1.2
116.01758	1.0
119.03537	7.2
120.01249	1.1
123.05662	2.5
124.04089	1.8
125.03584	2.5
127.05147	3.7
128.03554	46.1
129.03874	1.6
129.99721	1.2
131.04716	1.0
135.04652	0.9
135.05688	3.9
137.07220	1.3
141.06699	5.6
143.04636	68.6
144.04958	1.8
145.06229	2.3
146.04620	5.6
153.06752	4.4
159.03055	0.9
160.00752	17.3
161.04550	4.2
166.09898	2.4
167.04639	5.0
167.08289	2.2
170.03369	1.4
177.03333	5.5
179.04610	11.6
181.06241	1.5
181.08702	0.9
182.09140	0.8
184.11017	1.0
185.05728	2.4
191.05676	0.7
192.07788	1.1
197.05733	1.8
198.07037	1.2
198.08777	1.7
199.07652	0.7
210.08856	9.7
218.88893	0.7
241.14372	1.3
242.07898	2.0
242.14606	1.3
243.15959	2.0
254.07785	17.9
255.08182	1.0
272.08887	30.5
272.11896	1.5
273.09122	1.5
288.06528	10.4
289.06931	0.9
306.07642	100.0
307.07938	6.8
404.15564	1.3
404.20200	5.6
405.13657	2.4
405.21567	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	403.161
Annotation	Glu-Ala-Trp
Peak:m/z	Relative Intensity
53.78317	0.5
57.03448	7.7
58.00601	1.1
59.01376	16.3
61.98835	4.6
68.99818	1.0
69.03459	3.7
69.31412	1.9
69.31839	3.8
71.01383	14.3
72.99306	3.1
73.02940	4.7
75.00877	22.3
83.01402	3.9
84.02162	1.4
85.02951	13.5
87.00871	10.1
87.04531	1.1
89.02438	3.1
93.03519	0.9
95.05037	0.8
97.02960	5.2
98.20694	1.3
99.00881	4.7
101.02441	2.4
107.05036	1.6
109.02990	1.8
111.00903	0.8
113.02467	1.0
113.90630	0.5
121.02931	0.7
122.03844	0.8
125.02474	8.4
129.01952	11.5
137.02454	16.0
141.01953	4.2
146.03746	1.0
149.02461	0.9
150.03267	2.2
150.54385	0.5
159.02991	2.1
161.02504	0.8
163.11353	3.5
164.01114	1.3
165.01953	6.2
166.02370	0.8
167.03554	1.4
173.06046	1.0
174.03252	0.8
175.07635	2.4
177.04056	54.5
178.04420	1.3
179.03496	1.3
181.12349	23.2
182.12730	1.2
189.09399	0.6
198.06924	1.6
199.07721	1.1
200.04887	1.1
203.07144	2.3
207.10359	1.7
217.08685	1.0
223.13409	1.1
225.11328	27.1
226.11723	1.4
229.08676	1.6
247.09735	1.8
265.10880	1.3
267.12344	1.6
287.05576	0.7
288.06509	1.1
323.12723	0.9
336.15756	0.7
367.11703	2.9
385.15359	13.5
386.15277	1.3
403.16113	100.0
404.16492	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	403.249
Annotation	Sicanatriol 7beta,18-diacetate
Peak:m/z	Relative Intensity
56.90750	0.4
59.01379	17.9
60.99281	0.6
61.98824	2.5
71.29856	0.8
73.02927	1.7
79.05845	0.5
97.39988	0.4
102.28787	0.4
231.14569	0.5
243.21140	0.8
295.20804	1.0
297.22287	2.4
325.21729	9.5
326.22238	1.1
343.22775	64.8
344.23071	9.3
356.17618	0.5
403.24896	100.0
404.25244	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	403.2853
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
57.03436	0.3
59.01398	0.9
60.99302	0.7
61.98829	3.5
71.05047	0.3
75.86036	0.2
76.07958	0.2
80.17619	0.2
83.05030	0.4
89.71600	0.2
98.19888	0.7
103.54975	0.2
109.06625	0.5
113.58383	0.2
229.70924	0.3
271.20935	0.2
299.23749	0.3
311.23959	0.6
321.22256	0.2
323.27530	0.4
339.26935	1.3
341.28543	0.2
343.22824	1.5
344.22989	0.2
355.26526	0.3
357.27951	3.0
358.28168	0.4
359.29565	0.4
385.27490	7.0
386.27866	1.2
401.27014	0.3
403.28564	100.0
404.28903	14.4
404.36725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41544	0.2
59.01379	2.7
59.19489	0.3
60.01709	0.3
61.98830	100.0
62.73216	0.3
66.18498	0.2
70.29067	1.1
71.01383	1.6
72.01715	0.3
73.27393	0.3
78.51410	0.2
78.95899	1.2
83.81267	0.3
85.02953	0.6
87.00902	0.3
88.98825	1.3
89.02441	2.2
93.03472	0.4
94.03866	0.3
96.96022	0.3
96.96989	0.9
101.02454	0.8
119.05050	1.2
125.02501	0.3
133.01305	0.3
137.02502	1.1
138.02829	0.8
161.02452	0.3
163.04050	0.7
165.04057	0.5
177.01942	0.3
177.46101	0.3
186.55206	0.3
195.05257	0.3
197.45828	0.3
221.06351	0.3
241.00218	0.5
244.28896	0.3
344.11920	0.7
404.13129	1.5
405.09653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03452	0.5
57.10894	0.3
58.00601	0.6
59.01086	0.9
59.01377	11.9
59.13576	0.4
61.98830	3.1
68.99837	0.5
69.33671	4.2
71.01384	8.5
73.02966	1.2
78.95900	0.4
83.01406	0.7
85.02954	3.5
89.02445	5.9
93.03468	34.2
94.03804	1.0
95.01419	0.8
98.19814	0.8
99.00874	0.7
101.02456	7.5
101.03088	0.6
108.02233	0.6
113.02458	3.8
119.03516	1.2
121.03001	0.4
121.05077	5.6
133.02991	1.1
135.04521	1.0
136.01674	2.9
137.02460	100.0
138.02812	4.4
147.04581	0.5
151.04063	1.4
160.28648	0.3
161.02457	5.7
161.04550	0.5
161.86685	0.4
163.03995	0.8
168.85510	0.4
172.47734	0.4
174.39154	0.4
179.03502	8.2
180.03845	0.5
191.03693	0.4
209.04590	0.8
221.04604	1.1
239.05629	5.3
281.06638	2.7
341.08722	3.5
403.12445	87.6
404.12799	9.8
404.18091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
57.46460	1.1
58.00592	0.8
59.01104	1.3
59.01374	18.4
59.92095	0.9
61.61349	0.9
61.98828	6.0
71.01383	6.4
72.97527	1.0
73.02940	2.4
75.00871	9.8
78.95892	0.9
80.05033	0.8
83.01382	2.5
83.05042	1.2
85.02943	3.3
87.00848	1.6
89.02430	2.6
93.03435	1.5
95.03800	0.8
99.00835	0.9
101.02428	3.6
108.04537	0.8
109.02946	1.4
113.02453	1.7
119.04995	1.1
122.06134	4.8
124.07680	1.5
125.01649	0.9
125.02453	6.0
129.01939	1.1
130.02954	1.6
131.03531	1.1
132.04581	11.9
132.05539	1.6
137.02464	8.3
142.61165	0.9
147.03247	3.3
148.04034	1.6
150.03235	1.1
150.05602	1.6
150.71544	1.0
155.10782	1.8
158.02530	5.2
160.04021	6.3
161.04604	2.1
162.02100	0.8
162.05563	1.6
163.04109	0.8
165.01930	4.2
168.00632	1.2
173.04556	1.3
173.06023	1.4
174.05579	1.5
175.07596	2.5
176.03555	6.7
176.07117	2.5
177.03989	1.5
179.03491	1.3
181.07162	0.9
181.12379	1.7
182.06087	1.1
184.07658	1.0
187.07565	1.0
190.05098	14.2
191.05573	1.7
195.06772	1.0
197.11789	3.0
198.09201	1.2
203.07115	1.7
204.02959	2.4
209.07208	1.9
211.12361	3.3
212.05829	1.8
212.10756	2.7
215.11848	4.0
220.02534	1.3
223.08736	3.3
224.07312	1.6
224.09512	7.8
225.06674	1.4
226.07465	2.7
227.08229	5.2
229.08604	1.2
234.03989	2.3
237.06143	3.6
237.10162	1.2
239.04587	2.5
239.08208	1.3
239.11871	19.5
240.10460	5.5
240.12410	1.6
241.10133	7.9
250.07486	1.9
253.06145	16.9
253.08949	1.5
254.06731	3.1
255.07697	3.8
255.11435	6.2
256.07971	1.6
265.09827	2.2
267.07663	6.0
268.08484	9.3
269.09055	1.0
281.09320	5.8
283.10861	51.2
284.11172	3.9
287.10333	1.5
309.05334	1.7
309.08768	20.3
310.08966	1.0
315.13480	2.5
323.13010	1.5
327.09857	40.4
328.10034	4.3
341.11200	3.4
353.07709	2.7
359.12357	4.3
367.11816	2.7
371.08817	49.7
372.08994	5.6
385.12595	1.2
401.32993	0.9
403.11380	100.0
403.15964	11.6
404.11612	14.1
404.15750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.3272
Annotation	Di-tert-dodecyl disulfide
Peak:m/z	Relative Intensity
61.98826	0.9
70.83082	0.9
71.01379	0.5
72.99312	12.7
73.02940	7.1
74.66082	0.4
75.00876	72.5
75.57749	0.3
76.01228	0.5
84.40258	0.4
203.07355	0.4
281.28537	0.8
309.31702	0.8
321.31604	0.6
339.32620	0.6
401.32712	100.0
402.33044	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	403.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31090	0.1
57.03453	0.2
59.01371	0.7
59.75592	0.1
61.91262	0.2
61.98830	2.2
63.34211	0.1
65.03957	0.4
71.01392	0.3
71.64119	0.3
79.63747	0.2
83.01397	0.5
83.05035	0.2
93.03465	66.2
94.03796	2.2
109.02954	2.1
121.02963	3.6
122.03779	0.4
122.06152	0.3
123.04524	0.5
124.01660	0.4
125.02451	1.7
135.04521	0.4
137.02457	100.0
138.02776	3.5
143.30447	0.1
145.02994	0.2
149.02484	0.4
150.03247	2.7
151.03979	0.7
151.45914	0.2
152.07184	0.4
156.95456	0.1
159.04527	0.2
161.02455	0.4
163.03996	0.4
164.01166	0.4
165.01952	2.7
167.03534	0.3
173.06021	0.2
175.04079	0.4
177.05519	0.2
179.03560	0.5
201.05600	0.7
203.03464	0.3
207.98129	0.2
215.07129	0.3
241.14462	0.2
243.06526	0.2
259.06015	0.9
269.04553	0.4
287.05594	3.7
288.06161	1.1
289.06961	0.3
385.12936	1.5
386.13370	0.2
387.61868	1.3
388.12222	0.4
395.90668	0.2
403.09406	0.2
403.14047	0.4
403.20413	0.3
403.25623	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29881	0.6
57.03436	2.4
59.01377	10.3
61.11255	0.7
61.98832	4.8
66.54143	0.7
69.03430	0.9
69.55251	0.8
70.50321	0.6
71.01389	6.8
71.38432	0.7
71.57201	0.9
73.02937	2.5
75.00875	4.6
80.05066	1.0
83.01389	2.3
85.02963	4.4
85.58473	0.7
87.00883	1.8
87.04528	0.9
89.02456	2.8
92.33389	0.6
93.03459	2.1
95.01367	0.9
95.05003	1.1
97.02930	1.3
99.00871	1.2
101.02432	2.3
104.05098	0.7
105.01954	0.7
109.02916	2.0
111.00925	0.6
113.02457	1.9
116.05014	0.8
121.02935	1.0
122.06119	5.4
124.07693	1.2
125.02460	7.4
125.09718	0.9
129.01945	2.5
130.02997	1.8
132.04567	13.5
135.04417	0.9
137.02455	9.8
137.09711	1.0
141.52284	0.7
145.02963	1.3
146.02492	1.3
146.03680	0.9
147.03197	3.4
148.04057	1.0
149.99577	0.8
150.03288	1.1
150.05627	2.3
153.09183	1.0
155.10806	1.6
158.02516	6.1
159.03090	0.9
160.04060	7.7
161.04593	2.1
162.05545	2.4
163.04092	1.3
164.01131	1.7
165.01958	3.8
172.11296	1.0
173.04572	1.2
173.06073	1.4
174.05574	1.0
175.07657	1.6
176.03548	8.8
176.07166	1.7
177.04066	8.6
179.03488	0.9
179.07097	0.9
181.12329	3.6
184.07817	1.5
187.07596	1.5
190.05098	20.1
191.05632	2.9
191.34026	0.8
195.05077	0.9
196.11340	1.0
197.11821	1.0
198.04292	1.4
199.05194	1.1
203.07115	1.3
204.02931	1.9
209.07182	1.7
211.12369	2.5
212.05859	2.1
212.10802	2.9
213.06737	1.3
215.11877	3.3
219.10086	0.7
220.02470	1.5
223.08797	2.5
224.07370	1.4
224.09515	9.3
225.06445	1.3
225.08197	1.1
225.11380	4.6
226.07481	2.9
227.08353	3.7
229.08757	1.3
234.04036	1.6
235.04836	1.7
237.10112	1.0
238.08749	0.9
239.08194	2.6
239.11893	18.7
240.05142	0.8
240.10593	5.4
241.09750	7.1
243.11406	1.0
247.09758	1.4
250.07510	2.1
253.06213	18.3
254.06721	1.6
255.07724	2.6
255.11311	4.8
256.08423	1.3
265.09818	2.3
267.07724	5.9
268.08508	8.6
269.09085	1.2
271.07248	1.5
281.09320	5.8
283.10864	48.8
284.11206	4.0
287.10336	1.1
294.06241	0.9
297.11517	0.8
299.10229	1.4
309.08765	13.0
310.09235	1.3
312.06906	0.9
315.13339	1.9
323.12949	1.1
327.09857	43.8
328.10217	4.3
331.17581	2.4
341.11459	3.6
353.07623	1.8
359.12540	4.9
367.11700	3.3
371.08820	40.6
372.09375	3.8
385.12973	2.1
403.11395	100.0
403.15936	9.4
404.06763	1.4
404.11688	12.4
404.16470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.2
56.05247	0.4
57.03441	2.6
58.00593	1.1
59.01381	31.1
69.61813	2.4
69.96791	0.5
71.01388	19.3
72.99305	1.6
73.02952	4.4
75.00888	0.9
77.13058	0.5
83.01394	4.3
85.02952	8.7
86.00082	0.5
86.03288	0.5
87.00880	1.4
89.02447	8.7
95.01383	1.7
99.00879	1.9
101.02451	16.8
109.02974	0.7
113.02463	6.7
114.02747	0.5
119.03522	3.4
121.02971	14.6
122.03202	0.6
123.04562	0.6
123.08158	2.1
127.37641	0.4
135.04524	3.1
139.00330	0.5
147.48761	0.4
149.06171	0.5
151.03996	1.2
153.01976	0.5
159.03032	0.5
160.01683	0.6
161.02122	0.5
161.04559	1.7
164.04800	5.3
168.69826	0.5
175.03995	1.4
176.04379	0.7
177.12874	6.3
179.07162	9.0
180.07466	0.5
195.13901	2.0
221.11925	3.4
239.09181	0.5
303.04971	0.4
307.52576	0.4
326.38068	0.5
341.10721	0.5
401.18155	100.0
402.13629	0.4
402.18457	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2332
Annotation	Udoteal
Peak:m/z	Relative Intensity
57.03436	0.5
59.01377	18.5
60.99303	0.6
61.98827	1.1
69.76795	0.3
71.01380	0.7
73.02946	2.0
73.67044	0.3
78.95856	0.3
89.02454	0.9
99.69118	0.3
101.02464	0.5
102.32442	0.4
113.02514	0.3
119.03522	0.3
121.02970	3.6
179.05655	0.3
241.19667	1.6
251.18150	0.4
255.17499	0.4
269.26202	0.3
279.21124	0.4
293.18906	0.7
295.20667	2.8
305.19031	0.4
313.07257	1.1
323.20166	8.0
324.20416	1.1
341.10870	1.2
341.21207	58.4
342.21530	8.1
355.22827	0.5
364.27826	0.4
383.22083	0.5
401.23318	100.0
402.23648	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	401.2697
Annotation	Hyrtios sesterterpene 1
Peak:m/z	Relative Intensity
57.03447	0.3
59.01371	1.8
59.86245	0.2
60.99304	0.7
61.98833	1.4
70.26412	0.4
70.26793	0.5
71.01392	0.8
78.95915	0.5
83.05023	0.6
86.34563	0.2
86.69894	0.2
89.02446	0.8
101.02467	0.3
109.06601	0.3
118.62543	0.3
121.02969	3.6
169.39836	0.3
179.05721	0.3
181.06735	0.4
271.20667	0.3
293.85565	0.2
309.22104	0.5
313.07242	0.6
335.23727	0.3
337.25412	1.3
339.26886	0.5
341.10962	1.2
355.26489	2.9
356.26785	0.3
357.06003	0.5
357.28174	0.4
380.89835	0.3
383.25922	7.9
384.26297	1.1
399.25449	0.4
401.09512	1.4
401.26962	100.0
402.27322	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	401.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03447	11.1
59.01378	18.3
59.69287	0.4
61.98827	3.7
68.99834	0.5
69.03464	1.7
69.52869	2.2
69.53294	1.4
71.01385	16.2
72.01762	0.4
72.99330	0.9
73.02952	4.1
75.00882	2.0
77.28905	0.5
80.70217	0.4
81.03467	1.2
83.01396	2.1
83.05026	1.7
85.02962	7.6
85.03452	0.6
87.00883	2.1
88.98784	0.4
89.02449	6.4
93.03470	2.7
93.07118	0.5
94.03813	0.7
95.01412	1.6
95.05054	1.2
97.02967	2.6
98.03774	0.4
99.00868	2.2
101.02454	9.1
103.04026	1.4
106.04261	0.6
107.05035	2.0
108.02179	5.8
109.02969	25.9
109.06628	1.2
110.03288	1.0
111.00890	1.7
111.04497	0.8
113.02459	6.8
116.06353	0.4
119.03513	2.6
119.05035	1.6
121.02966	3.6
121.06608	14.0
123.00909	1.0
123.04527	1.9
123.08179	4.0
125.02455	0.7
129.01932	1.0
131.03551	1.1
131.08661	3.1
132.09106	0.4
133.06607	3.0
133.10266	0.7
135.04564	3.5
135.08176	3.0
137.02478	4.0
139.00400	3.4
141.01961	0.7
141.09192	0.8
143.03488	0.6
144.05829	11.1
147.04521	1.0
147.08185	0.7
148.05330	1.3
149.00639	1.2
149.02466	1.0
149.06123	1.2
149.09738	28.7
150.10077	1.8
151.04001	1.2
151.07671	8.2
151.11324	0.9
152.01181	6.5
153.01961	18.0
153.09218	0.9
154.02316	0.8
155.03627	0.6
158.07420	1.0
159.02983	1.7
159.08185	11.8
160.08749	0.8
161.04576	10.1
161.06073	3.6
161.09727	3.4
162.04868	0.4
162.06850	0.8
163.04039	1.3
163.07671	4.7
164.04810	0.4
165.09264	1.6
170.05905	0.5
173.04567	4.1
173.06062	0.9
173.09766	1.9
174.04897	2.9
175.07661	0.8
175.11281	2.5
177.04141	2.4
177.09224	100.0
178.09578	6.4
179.05646	0.7
179.07204	0.4
179.10788	5.0
181.07216	0.8
185.09744	0.7
187.07672	1.6
188.08408	5.8
191.05643	1.9
191.07190	0.7
191.10771	2.4
192.06032	1.2
192.99619	1.1
193.12381	1.5
195.05095	1.6
195.10226	1.3
203.10799	19.4
204.11131	1.7
205.08675	4.4
206.09554	2.3
209.11792	0.7
221.11836	66.8
222.12154	5.9
223.06133	0.9
239.12904	20.1
240.13228	1.4
267.07220	0.6
269.10269	3.0
297.16312	0.5
304.06006	0.7
338.09650	2.5
341.10928	1.3
395.23526	0.4
401.11020	25.5
401.18231	7.0
402.11398	3.5
402.18610	0.6
410.08813	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1817
Annotation	Spionoside B
Peak:m/z	Relative Intensity
50.01311	0.5
53.95360	0.5
55.01875	2.0
57.03446	20.6
58.00584	1.3
59.01377	52.5
60.01699	1.0
60.78920	0.5
61.98830	0.8
62.01337	0.5
67.45589	0.6
69.03446	1.1
69.41324	4.0
69.41727	1.2
71.01383	37.0
72.99311	1.2
73.02944	7.1
75.00888	1.4
77.45602	0.5
83.01410	2.7
83.05022	2.0
85.02954	15.8
86.02808	0.5
87.00872	3.0
89.02449	23.9
93.03462	1.9
95.01393	2.5
95.05013	1.8
97.02959	1.6
99.00889	3.4
101.02449	20.3
108.02182	3.7
109.02986	3.9
111.00945	1.2
113.02458	15.5
114.02825	0.6
119.03530	8.1
119.05022	0.9
119.08650	0.8
120.05775	1.1
121.02979	1.8
121.06574	1.7
123.04543	2.5
123.08181	10.5
125.02428	1.6
129.01933	0.7
131.03539	1.0
133.06619	1.6
134.03767	1.2
135.04541	9.9
135.08139	2.7
137.02475	3.3
139.00365	1.2
139.07672	1.7
141.09209	0.8
143.03519	2.2
147.04497	1.5
148.05293	2.4
149.04527	0.6
151.04063	0.6
151.07661	27.6
151.11290	2.0
152.01172	2.5
152.08003	1.9
153.01965	1.4
159.03024	2.5
159.08202	0.8
160.08929	2.5
161.04572	12.8
161.05936	0.7
161.09724	10.9
162.04820	0.8
162.10036	1.0
163.07651	20.0
164.08304	1.3
165.09230	9.0
168.07932	2.6
173.06190	0.8
173.09747	2.8
175.11278	1.3
177.04008	1.0
177.09218	6.8
179.03552	1.7
179.05621	4.9
179.07208	1.6
179.10793	18.9
180.11224	0.8
185.09737	0.6
187.07664	1.8
188.08434	10.9
193.12315	2.0
195.05034	1.5
203.10780	78.2
204.11046	6.0
221.11821	100.0
222.12178	7.4
223.05894	0.6
239.05507	0.8
253.44217	0.7
341.10794	0.6
383.17010	1.0
401.10898	9.2
401.18216	1.0
402.11157	1.6
408.15002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03448	8.4
58.00582	1.5
59.01380	29.5
61.98830	6.6
67.90264	0.6
68.99829	1.3
69.03460	1.9
71.01388	25.0
72.99319	4.2
73.02949	2.4
75.00879	54.2
76.01221	1.1
83.01391	2.2
83.05021	0.7
84.02178	2.3
85.02959	20.4
87.00885	17.3
87.04515	1.0
89.02464	8.7
92.77357	0.6
93.03503	1.3
93.31305	0.5
95.01426	0.7
97.02968	2.3
99.00893	10.4
101.02465	4.9
102.39467	0.6
103.00338	1.0
109.03001	1.1
111.00889	4.1
113.02449	2.0
117.01916	0.9
119.03529	1.4
121.02994	0.9
123.04617	0.9
125.02448	1.4
129.01959	26.9
131.03532	0.7
133.10205	0.9
135.04515	0.9
135.11832	3.7
137.02515	1.4
141.01929	3.5
151.00386	0.9
159.03008	12.5
159.08147	2.2
160.49844	0.6
161.09720	7.4
162.10068	0.6
165.02013	0.7
167.03511	0.6
177.04062	82.7
177.12878	0.8
177.88152	0.7
178.04425	2.8
179.03482	0.9
179.05664	1.3
179.10794	32.0
180.11147	1.4
191.05621	1.6
191.91975	0.6
195.05110	58.4
195.41469	0.5
196.05399	1.7
203.10832	1.4
205.08661	0.8
221.11920	0.8
223.09769	8.9
228.51683	0.7
235.06302	0.6
268.03748	2.3
271.06241	0.9
275.05380	0.6
276.12863	0.7
289.07056	1.4
300.02695	0.6
341.10828	3.0
357.15561	7.6
358.15936	0.9
383.13516	7.1
384.14001	0.7
401.14529	100.0
402.14771	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	401.1818
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.22608	0.4
53.40029	0.4
55.01879	3.0
57.03446	3.4
58.00584	1.7
58.58378	0.4
59.01379	25.5
66.05715	0.3
69.81990	2.2
71.01386	23.1
72.01729	0.6
72.99310	1.6
73.02950	6.3
75.00863	0.7
75.97272	0.4
77.13061	0.3
83.01392	4.9
84.02190	0.5
85.02951	10.6
86.00092	0.6
87.00877	1.5
89.02453	10.3
93.03452	0.5
95.01395	2.4
97.02954	0.5
99.00875	2.5
101.02453	18.1
107.05030	2.2
109.02967	1.4
111.00895	1.0
113.02464	7.8
119.03516	2.8
121.02971	21.8
122.03304	0.5
123.04546	1.1
123.08173	2.8
125.02444	0.9
135.04562	3.5
135.06633	0.6
137.02464	1.2
139.00389	0.6
141.01906	0.5
143.03441	0.4
151.04001	0.9
151.11288	0.6
159.02977	0.6
161.02501	0.6
161.04543	2.2
161.09756	0.6
175.04153	0.5
177.04045	0.5
177.12856	4.4
191.05605	0.6
195.13905	3.3
221.11858	3.3
239.12866	0.7
269.10391	0.6
279.10806	0.7
309.52707	0.4
401.18170	100.0
402.12946	1.1
402.18469	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60625	0.4
54.87251	0.4
55.01878	7.3
57.03451	4.8
58.00595	1.4
59.01377	37.5
62.78053	0.5
67.82404	0.4
69.03466	2.2
69.41316	3.0
69.41734	1.4
69.53579	0.5
71.01383	81.0
72.01701	0.8
72.99326	2.5
73.02952	33.8
75.00866	3.2
81.03471	1.3
83.01395	13.2
85.02957	40.2
86.00093	0.6
86.03299	0.6
86.95188	0.4
87.00879	4.1
89.02450	13.3
90.02787	0.6
95.01389	5.8
97.02966	4.1
98.19904	1.0
99.00890	14.7
99.04531	0.7
101.02456	64.9
102.02824	1.0
107.05023	1.0
111.00894	1.3
111.95039	0.4
113.02464	31.3
114.02786	0.8
115.04064	2.2
121.02966	2.7
125.02446	5.4
129.01941	1.5
131.03529	3.3
135.04533	2.4
135.05432	0.5
143.03516	4.8
149.04594	2.8
159.03012	7.4
161.04578	46.3
162.04913	1.4
184.61613	0.5
191.05597	1.4
195.05104	0.6
205.03520	1.0
223.06261	0.4
233.06728	4.7
269.10287	100.0
270.10648	8.9
293.08795	2.2
313.09341	0.5
401.14587	73.4
402.15018	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78217	0.2
55.01881	0.3
57.01178	0.3
57.03447	1.7
58.00595	0.3
58.03766	0.2
59.01378	6.4
61.98829	0.4
69.03460	0.8
69.76204	1.4
71.01382	5.2
72.63404	0.2
72.99312	0.6
73.02964	1.3
75.00878	1.0
81.03435	0.3
81.49934	0.2
83.01405	1.1
83.54834	0.3
85.02967	2.1
87.00894	1.0
87.04517	0.4
89.02452	1.9
93.03474	0.6
95.01411	0.4
97.02967	1.5
98.20625	0.3
99.00895	0.9
101.02445	1.8
107.05025	0.4
108.02174	0.3
109.02972	1.9
109.06621	0.3
111.00871	0.3
113.02477	1.4
115.04091	0.4
117.05592	1.6
118.64992	0.2
119.03526	0.9
121.02970	100.0
122.03277	3.6
123.00890	0.5
123.04539	1.8
123.08187	0.8
124.01748	0.2
125.02458	0.8
129.01924	0.3
135.04546	13.7
135.06653	7.8
136.04886	0.3
136.07002	0.3
137.02425	0.5
139.00395	0.5
141.02017	0.4
141.09239	0.4
144.05858	0.4
147.04608	0.3
149.02408	0.4
149.09735	1.7
150.03294	0.2
151.03998	1.3
151.07660	0.8
152.01108	0.3
152.14903	0.3
153.01921	0.8
159.04666	0.3
159.08136	0.5
161.02432	0.5
161.04602	0.7
161.06021	0.3
162.03304	0.3
163.04042	1.8
163.07657	0.9
165.09195	0.4
175.04050	0.3
175.17906	0.3
177.04071	1.1
177.05428	0.3
177.09213	5.6
178.99988	0.3
179.05592	0.3
179.10725	1.3
181.01405	0.3
187.01683	0.2
189.05531	0.3
191.07149	0.4
195.05095	1.0
203.10767	1.7
205.05031	0.7
206.09502	0.4
217.05151	0.3
221.11835	6.3
221.13971	0.3
222.12222	0.3
223.06114	0.4
239.12915	0.8
279.10922	1.8
289.07162	0.4
303.04980	0.4
304.05951	1.1
341.11002	0.6
357.10016	0.3
383.10022	0.3
401.13049	6.9
401.18521	1.6
402.13409	0.9
402.18777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
55.38736	0.7
57.03452	9.8
58.00589	0.9
59.01378	28.2
61.98834	1.5
66.44890	0.7
68.99812	1.4
69.03461	2.2
69.56890	3.3
69.57317	2.9
70.77029	0.7
71.01387	25.3
72.99318	5.2
73.02954	2.9
75.00878	55.6
83.01398	2.4
84.02177	2.1
85.02960	21.2
85.52982	0.7
87.00880	18.2
87.04522	1.0
89.02449	12.9
91.07537	0.7
93.03460	1.2
97.02971	2.5
98.20631	0.8
99.00900	10.1
101.02459	5.4
106.08424	0.8
109.02921	0.8
109.06657	1.0
111.00892	3.8
113.02484	2.6
117.01987	0.9
119.03535	2.0
125.02480	1.7
129.01961	28.0
133.10231	1.4
135.11836	5.0
137.02473	3.3
141.01971	3.8
159.03014	11.8
159.08197	1.0
159.11681	0.9
161.04570	0.9
161.09717	5.8
177.04063	89.0
178.04372	3.7
179.05592	2.0
179.10793	24.3
180.11095	1.4
195.05106	74.2
196.05449	3.2
203.10846	1.4
221.11768	1.1
223.09708	5.9
269.10284	1.0
289.07159	1.9
325.12180	1.0
326.13358	0.9
341.11014	3.7
357.15442	10.5
358.15909	1.0
383.13513	4.6
401.14560	100.0
402.14911	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	401.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03440	1.3
58.00581	1.1
58.99599	1.1
59.01379	100.0
60.01703	1.6
61.98833	6.5
70.92287	1.7
71.01385	15.8
72.99331	2.1
73.02945	3.1
75.00877	1.5
83.01414	1.3
85.02942	4.7
87.00890	1.9
88.98823	1.2
89.02451	17.4
89.03008	0.9
91.01914	3.6
93.03472	1.7
95.01429	1.6
99.00892	1.3
101.02467	6.8
103.04052	0.6
103.84265	0.5
108.02186	7.3
109.02972	6.3
111.00893	1.8
113.02476	5.9
119.03525	7.4
119.05006	0.7
121.02991	1.6
123.04559	0.9
129.02014	0.8
135.04550	1.7
137.02464	3.1
139.00432	1.9
143.03545	1.1
145.03014	0.5
146.03757	14.5
149.00664	3.4
149.02480	2.8
151.02248	31.0
151.04099	1.4
152.01186	7.7
152.02480	1.0
153.01987	3.5
153.09230	1.3
161.02527	0.8
161.04585	1.7
161.06123	5.5
163.04062	1.9
163.07730	0.9
164.04803	10.5
165.09247	0.8
166.09763	0.6
173.04578	1.1
175.04128	0.7
177.01949	1.4
177.04086	1.2
179.05672	2.8
179.07147	50.4
180.07492	2.7
191.05649	1.2
192.99670	3.7
195.01228	16.7
195.02899	1.1
195.05087	1.0
196.01588	1.0
203.10800	1.9
211.07716	0.8
221.11858	4.6
223.06190	1.8
239.00197	30.2
239.05547	1.1
239.09297	0.6
239.12975	0.8
240.00523	2.4
269.59320	0.6
281.01321	2.0
299.57382	0.7
341.03662	0.8
341.11072	2.6
401.10696	14.0
401.18689	0.9
402.11151	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80758	0.7
55.01882	0.8
56.37928	0.9
59.01372	6.6
60.99263	0.7
68.99827	1.3
69.03475	0.9
69.82469	2.7
69.82872	1.4
71.01382	5.2
72.99304	1.2
73.02953	4.3
75.00864	1.1
81.03442	0.8
85.02959	3.8
87.00880	40.0
88.01206	0.8
89.02451	2.2
97.02891	0.7
99.00877	1.5
101.02456	2.2
108.02177	1.2
109.02949	1.1
109.82093	0.7
111.00872	1.4
113.02450	2.4
121.02950	2.3
123.00924	4.9
129.01913	0.8
131.03548	1.1
135.04526	2.3
137.02441	0.9
138.03214	2.1
147.04474	1.3
149.02444	2.9
149.06070	0.7
151.00330	3.0
151.04047	0.9
152.01151	1.0
153.05580	2.1
161.02469	6.6
162.09120	0.8
163.04010	19.1
164.04803	10.3
165.05521	3.4
166.02727	6.0
169.53387	0.9
173.02423	1.8
175.03979	2.5
176.01155	0.9
176.04778	8.5
177.01929	2.1
177.05435	1.7
178.02670	1.3
178.06374	15.6
179.03561	8.8
179.07126	26.2
180.07538	0.9
181.05048	7.5
187.04048	2.7
188.04796	1.9
189.05591	0.9
190.02708	1.1
191.03488	15.7
191.07153	5.5
192.04080	1.9
193.05069	6.8
193.08678	3.2
194.05835	7.0
195.06252	1.1
202.06340	0.9
203.03488	5.7
203.07213	0.8
204.04176	2.4
205.01360	0.8
205.05074	6.5
206.05792	8.4
207.06612	3.4
208.07324	1.2
209.08202	7.6
218.05826	2.8
219.02977	4.7
219.06424	1.5
220.03616	2.1
221.04544	2.7
221.08153	6.4
222.05191	1.0
223.05907	0.7
228.36400	0.7
229.01433	1.0
231.03027	1.8
233.08286	1.1
234.05339	4.1
235.06030	1.8
236.06850	2.1
237.07616	3.3
238.04686	1.3
239.00143	0.8
246.05190	2.3
247.02411	4.9
247.06113	2.8
249.07588	5.7
250.04713	1.4
251.09219	3.6
261.04071	0.8
261.07660	1.9
262.04755	8.6
263.05301	1.5
265.07141	42.3
266.07452	3.0
277.07172	24.9
278.07495	2.1
291.08334	0.9
295.08221	59.7
296.08536	4.4
325.09265	2.6
337.09299	1.3
341.10840	2.9
343.69574	0.8
355.10312	17.9
356.10721	2.1
379.82932	1.0
383.09833	7.9
401.10870	100.0
402.11276	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	401.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14515	2.1
55.01878	5.2
57.03442	14.3
58.00605	2.7
59.01101	4.4
59.01379	63.6
61.69981	2.5
61.98822	9.0
68.99799	2.6
69.03479	3.7
70.75465	4.3
70.75870	4.3
70.87156	1.9
71.01388	62.7
71.04996	2.3
72.99318	8.2
73.02954	7.8
75.00875	53.7
77.66676	2.2
79.49972	2.0
81.03416	2.3
83.01395	7.1
85.02956	38.3
87.00889	24.7
87.04515	2.5
89.02455	32.3
91.01875	5.2
93.03464	33.2
95.01401	2.9
95.04996	2.4
95.53527	1.9
97.02964	5.7
98.19981	2.6
99.00871	12.5
101.02464	26.4
109.02968	16.6
111.00887	9.0
113.02467	15.5
119.03504	9.6
119.07121	2.6
121.02975	72.2
123.00959	4.3
123.04550	18.4
125.02436	5.4
127.07629	2.2
129.01060	3.3
129.01964	29.5
131.03493	3.6
133.02972	3.5
135.00804	2.2
135.04541	22.8
137.02466	72.1
139.00391	3.7
141.01900	3.7
145.02983	9.5
146.03281	3.1
147.04564	4.2
149.02446	57.3
150.03081	2.4
151.04027	9.1
153.01886	2.9
153.05606	12.6
159.02992	7.2
161.02448	5.9
161.04573	7.5
162.03230	4.1
163.03990	7.1
164.03479	3.6
164.04811	46.3
165.01958	13.2
165.05360	2.4
166.02647	3.2
177.04066	100.0
178.04358	2.6
178.99855	3.6
179.03485	4.7
179.05641	3.8
179.07129	5.4
179.10823	5.0
181.01387	2.6
187.03883	3.4
189.05588	2.5
190.02724	3.8
191.03600	3.0
191.05612	11.4
192.05981	4.2
195.05118	91.2
196.05426	3.4
203.06995	2.5
203.10628	2.4
205.05064	8.5
206.05887	4.0
207.09735	2.2
215.07042	2.4
217.08691	4.1
221.08386	5.2
221.11852	12.6
223.06114	66.6
224.06433	2.3
239.05508	2.5
245.08095	2.9
265.07178	4.5
269.10245	8.2
303.05145	2.1
325.09158	3.2
341.10922	6.9
355.12045	2.4
383.10745	4.5
393.37091	2.2
401.11069	98.7
401.14847	46.0
402.11423	11.2
402.15491	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64492	0.4
55.01876	0.8
57.03447	12.7
58.00605	0.7
59.01377	18.9
61.01379	0.5
61.80695	0.4
61.98828	3.7
68.99844	0.7
69.03455	1.5
69.59790	3.2
71.01382	19.2
72.99320	0.5
73.02949	11.4
75.00890	1.5
78.54277	0.5
79.05546	0.6
81.03455	2.3
83.01368	2.1
83.05020	0.6
85.02953	10.6
85.03459	0.6
87.00892	1.5
89.02448	8.0
93.03467	4.1
93.07120	0.5
94.03801	0.8
95.01394	3.6
95.05059	1.4
97.02987	2.1
97.06618	0.5
98.03732	0.4
99.00900	1.7
101.02454	9.7
103.04012	4.7
107.05044	1.9
108.02184	66.2
109.02972	56.5
110.03322	1.6
111.00919	0.7
111.04573	0.5
113.02456	7.8
119.03502	2.2
119.05030	1.0
119.08637	0.6
121.02984	3.0
121.06613	14.7
122.06969	0.6
123.00890	2.5
123.04525	2.7
123.08176	4.1
123.87099	0.5
125.02477	1.0
131.08638	2.8
133.06622	3.7
133.10251	1.0
135.00935	0.5
135.04530	5.4
135.08136	3.3
136.01678	0.8
137.02455	10.3
137.06088	0.7
139.00488	0.9
139.07675	0.6
141.09274	0.8
143.03545	0.9
144.05817	11.5
145.06297	0.5
147.04536	0.8
147.08148	1.0
148.05339	1.1
149.02504	1.1
149.06071	1.4
149.09735	29.8
150.10071	1.5
151.04047	1.7
151.07664	9.9
151.11279	0.8
152.01163	66.8
153.01958	26.4
153.09206	1.1
154.02332	1.4
158.07367	0.9
159.02982	1.1
159.08167	11.0
160.08653	1.0
161.04564	8.1
161.06070	3.2
161.09749	3.1
162.06911	0.9
163.04025	1.5
163.07684	5.7
164.04634	0.5
165.01923	1.0
165.09224	2.6
173.04552	1.9
173.06091	1.9
173.09726	2.3
174.04942	1.6
175.07591	0.9
175.11302	2.4
177.04033	1.6
177.09218	100.0
178.09560	5.8
179.03485	1.0
179.05611	0.7
179.10803	6.5
185.09677	0.5
187.07704	2.5
188.08430	6.2
191.05580	0.8
191.07152	0.9
191.10771	3.0
192.99597	0.6
193.12350	1.2
195.05132	0.8
195.10263	1.2
203.10785	22.3
204.11095	1.7
205.08665	4.3
206.09480	2.3
209.11839	1.0
219.10126	0.5
221.11829	67.3
222.12166	4.0
223.06068	0.9
225.03973	0.5
239.12880	21.9
240.13184	2.0
297.06189	0.9
315.07205	1.0
329.29694	0.6
338.09836	1.1
371.09775	1.8
383.09845	4.5
384.09937	0.6
396.24939	0.5
401.10782	94.2
401.18353	4.3
402.11057	9.4
402.18918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.2
58.00580	1.0
59.01091	1.6
59.01377	30.3
61.98829	18.4
67.74844	0.8
71.01388	25.4
71.61481	2.2
72.99309	1.2
73.02949	6.8
75.00863	2.0
76.81879	0.9
78.10573	0.8
78.95899	0.9
81.03470	1.6
83.01402	2.1
85.02954	10.1
87.00883	54.0
89.02449	27.1
89.02997	1.5
95.01417	0.8
97.02930	1.3
97.96395	1.0
99.00891	1.9
99.04522	0.8
100.06660	0.8
101.02450	12.8
108.02168	3.1
109.02949	2.8
111.00868	1.9
113.02463	11.0
114.02879	0.9
115.65856	0.8
117.62620	0.8
119.03514	7.6
121.02968	3.0
129.01967	1.2
131.03488	3.6
135.04527	0.9
137.02489	0.8
138.03215	1.1
143.03502	1.6
148.77643	0.9
149.00636	2.0
149.02472	3.2
151.00327	3.1
151.02243	11.5
151.03416	1.2
151.03992	1.7
152.01202	1.5
153.05565	1.6
161.02437	3.0
161.04575	2.4
163.04039	2.5
163.37106	0.9
164.04808	17.4
165.05547	4.7
166.02737	9.3
166.06287	1.0
173.02412	0.9
176.04765	3.0
177.01979	2.1
177.05606	1.4
178.06360	1.7
179.02026	1.4
179.03549	14.7
179.05589	8.5
179.07143	38.8
180.03966	0.8
180.07437	2.2
181.05078	11.7
187.03946	2.5
191.03510	3.6
191.05536	1.4
191.07150	1.3
192.04303	1.7
192.99631	1.4
193.05057	6.8
194.05832	11.2
194.99356	1.8
195.01224	17.2
202.06314	1.6
203.03529	1.3
204.04158	1.2
205.01477	0.9
205.05119	1.4
207.03017	1.7
207.06586	2.9
209.08200	20.0
218.05864	1.2
219.03067	1.2
219.06630	1.1
222.05292	1.8
231.02983	1.9
233.04689	1.2
234.05370	1.3
235.06038	1.0
237.07610	2.6
238.98369	0.9
239.00267	8.8
246.05338	1.6
249.07813	1.7
250.04817	2.7
251.74577	0.8
261.07690	2.5
265.07156	74.7
266.07532	6.1
276.06213	1.0
279.08426	1.1
295.08295	1.8
325.09283	24.0
326.09543	2.5
341.10886	44.5
342.11255	4.1
358.91461	1.0
383.10104	1.0
401.06058	4.2
401.10867	100.0
402.11157	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	401.1091
Annotation	Apodanthoside
Peak:m/z	Relative Intensity
57.03449	1.1
59.01381	14.6
61.98832	6.6
68.99819	1.0
69.03448	1.4
70.79874	2.5
71.01393	13.3
72.99313	2.4
73.02959	4.6
75.00891	1.9
81.03452	0.8
83.01398	1.2
85.02957	6.6
87.00883	52.7
88.01186	1.0
89.02457	10.8
95.01401	1.2
96.96959	1.1
97.03010	1.3
99.00936	1.2
101.02467	8.5
108.02193	2.5
109.02931	2.8
111.00865	2.4
113.02476	6.9
113.62090	0.8
115.00451	0.9
119.03517	3.6
121.02957	2.0
127.04134	0.9
131.03497	1.9
135.04472	0.9
147.03035	0.9
149.00664	1.5
149.02446	2.7
151.00354	3.4
151.02240	9.4
151.04080	1.3
152.01175	1.7
153.01947	1.1
153.05585	1.3
158.57021	1.1
161.02394	3.1
161.04558	1.0
163.03990	2.1
164.04800	10.0
165.05544	3.7
166.02734	9.9
176.04819	2.5
177.01949	2.0
177.90778	0.8
178.06328	1.1
179.03546	10.2
179.05605	3.4
179.07126	27.7
179.82307	0.9
180.07462	2.1
181.05081	9.9
187.04013	1.4
189.02010	1.2
191.03549	2.1
191.05536	1.0
191.07185	1.7
192.04259	2.4
193.05043	4.5
194.05844	10.1
194.99483	0.9
195.01219	13.8
198.05641	1.0
203.03473	1.7
204.04265	1.5
207.02954	1.7
207.06551	1.6
209.08186	15.1
210.08528	1.4
219.02911	1.4
219.06502	1.1
219.48700	1.0
231.02983	1.2
234.05315	1.1
235.02484	0.9
235.06099	1.3
237.07631	2.7
239.00266	5.7
239.09445	1.1
246.05280	1.6
249.07674	2.7
250.04906	0.8
261.07599	1.6
265.07156	54.5
266.07419	3.5
275.04703	0.9
295.08289	1.9
325.09250	17.3
326.09656	1.1
341.10910	19.7
342.11234	1.3
383.09845	1.5
401.05988	4.1
401.10855	100.0
402.06042	1.2
402.11188	11.1
423.50076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
55.88319	0.6
57.03445	2.7
58.00599	3.1
58.99599	3.8
59.01376	80.8
60.01689	0.7
61.98830	13.6
63.02388	1.0
69.48905	4.0
71.01382	48.4
72.01756	0.7
72.99313	4.4
73.02956	5.1
73.81165	0.5
75.00875	3.3
80.67742	0.5
81.03442	1.0
82.58506	0.5
83.01402	2.7
85.02953	14.0
87.00880	4.8
88.98814	1.3
89.02449	54.3
90.02811	0.5
91.01898	11.9
91.02422	1.0
91.05564	1.2
92.02222	0.9
93.03464	2.3
95.01389	3.5
97.02995	0.6
98.02527	0.5
98.20631	1.0
99.00905	2.3
101.01782	1.2
101.02450	23.5
102.02778	0.6
108.02184	13.8
109.02973	11.5
111.00883	2.6
113.02462	18.3
117.03487	1.0
119.03516	21.5
119.05013	1.5
121.02946	4.1
122.03719	0.6
123.00910	0.9
123.04527	2.1
125.02490	1.7
129.01933	1.9
131.03543	2.4
133.02930	0.7
134.03758	0.7
135.04567	3.4
136.05293	0.9
137.02443	3.9
138.06845	0.7
139.00374	4.3
143.03513	3.3
145.02962	0.9
146.03709	2.8
147.04565	1.0
149.00681	6.6
149.02460	4.4
149.04570	1.6
149.06117	0.7
150.01472	1.4
151.02245	100.0
151.07635	2.8
152.01144	12.2
152.02550	4.5
153.01955	5.8
153.09198	2.4
159.03001	1.0
161.02475	0.8
161.04544	5.3
161.05972	0.8
161.09689	0.9
162.03275	1.2
163.02197	1.9
163.03999	3.5
163.07599	1.7
164.04826	5.4
165.02019	0.8
165.03912	0.8
165.05394	0.7
165.09193	3.4
173.04514	1.8
173.05855	0.5
175.02295	1.0
176.62450	0.5
177.00327	0.6
177.01942	1.6
177.04082	3.1
177.05460	1.0
177.09166	1.2
179.03491	1.9
179.05583	6.1
179.07123	11.0
179.10735	1.4
181.07117	0.6
187.07703	1.2
191.03450	0.7
191.05574	1.9
191.07144	0.9
192.99651	7.9
193.96423	0.5
195.01219	55.5
195.05028	3.7
196.01509	2.6
196.43195	0.6
201.09181	0.6
203.06998	0.5
203.10760	5.3
206.09431	3.4
209.02831	3.3
221.08253	0.9
221.11800	11.6
222.12160	0.8
223.06120	6.1
237.02184	1.0
239.00186	99.2
239.05389	2.1
239.09282	2.6
239.12865	2.1
239.98637	0.6
240.00548	7.0
281.01251	6.0
281.08603	0.8
341.03220	3.2
341.10846	5.5
382.74261	0.5
401.05545	1.7
401.10760	29.8
401.18640	0.8
402.11276	2.8
402.19952	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08891	0.3
53.52880	0.3
55.01880	7.9
57.03447	6.5
58.00590	2.5
59.01379	53.3
60.01718	0.6
65.42281	0.3
67.01875	0.3
68.99818	0.6
69.03458	2.5
70.00004	0.7
70.00417	0.7
71.01385	100.0
72.01723	1.3
72.99313	3.7
73.02951	32.1
74.03282	0.5
75.00864	1.7
80.49567	0.3
81.03488	0.5
83.01392	14.6
83.80190	0.2
84.01720	0.4
84.02177	0.9
85.02957	50.0
86.00112	1.0
86.03326	0.7
87.00877	4.5
87.57868	0.3
89.02451	28.4
90.02788	0.3
93.03484	0.4
95.01392	7.1
96.01756	0.4
97.02962	2.7
98.20536	0.3
99.00895	13.9
101.02455	81.9
102.00191	0.3
102.02804	1.9
111.00882	3.2
113.02464	44.1
114.02812	1.1
115.04059	0.3
119.03516	15.0
125.02481	2.6
129.01962	2.2
131.03505	1.6
135.49992	0.3
137.02448	0.5
139.00377	0.5
141.01971	0.7
143.03503	5.7
144.03983	0.3
149.04553	0.9
159.03015	10.9
160.03317	0.5
161.04573	44.7
162.04942	1.6
167.14404	1.5
179.05603	1.7
188.98257	0.3
205.03537	1.4
224.09929	0.3
237.18633	0.8
329.19629	0.3
399.23880	51.2
400.24176	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	400.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41605	1.3
57.03465	1.4
59.01369	10.3
60.99293	1.2
61.44178	1.0
61.98834	38.7
63.81858	1.0
64.17653	1.1
67.01897	3.8
69.40363	9.6
69.40774	2.6
71.01379	8.9
73.02946	2.9
75.00866	2.1
84.01686	1.1
85.02956	4.2
87.00888	2.1
89.02460	2.0
93.03472	21.8
99.00880	1.5
101.02452	4.4
107.05079	1.1
111.00877	1.9
111.04508	3.0
113.02457	3.4
119.03633	1.1
119.05041	17.6
121.02974	3.6
121.34007	1.0
123.04656	1.2
137.02477	6.2
139.00397	2.3
145.02945	2.3
149.00687	2.6
149.02461	1.3
152.75963	1.2
155.03491	3.2
161.04576	3.5
163.04027	15.3
173.04564	100.0
174.04924	3.5
177.09247	1.3
191.05612	37.1
192.05939	1.9
192.99675	3.6
199.44733	1.1
221.11743	1.4
269.10147	6.2
337.09293	38.7
338.09680	4.6
401.11319	7.7
401.15286	1.2
423.35880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
58.00581	0.9
59.01105	0.8
59.01380	12.4
59.65444	0.5
61.18118	0.5
61.18461	0.4
61.98834	7.3
69.03448	0.6
69.96906	3.0
71.01388	7.1
71.12702	0.5
72.01694	0.5
72.99306	0.8
73.02947	1.9
75.00876	0.9
83.01382	1.1
85.02949	8.7
87.00864	2.9
89.02457	6.1
93.03468	8.7
95.01388	0.9
98.20541	1.0
99.00907	1.0
99.04473	0.5
101.02438	6.2
105.01954	1.6
107.05040	1.1
109.02946	2.2
111.00910	1.7
111.04507	0.9
113.02448	3.3
119.03526	1.1
119.05042	1.4
121.02964	6.5
122.06149	0.6
123.04518	1.5
125.02458	1.8
127.04027	1.4
129.01973	0.5
133.02986	4.1
134.03305	2.6
135.04526	2.7
137.02466	13.6
138.02811	0.6
139.00418	1.4
145.02998	0.9
149.04559	0.4
151.04045	1.6
151.07581	0.6
153.01964	0.6
161.02463	13.7
161.04581	1.9
162.02794	10.6
163.02818	0.7
163.04036	2.4
163.07681	0.6
169.24152	0.6
173.04578	2.0
176.11829	0.7
179.03557	3.6
189.05534	0.6
191.05634	100.0
191.80850	0.5
192.05991	4.8
220.10745	0.9
221.11815	1.3
245.83304	0.5
251.11314	1.2
252.11653	1.5
337.09262	19.7
338.09683	2.1
341.10883	1.4
357.13702	0.9
400.13214	16.3
400.18094	0.8
401.14474	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	401.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96460	0.3
58.99601	0.5
59.01376	1.2
69.89730	0.3
70.18813	1.7
71.01390	0.9
71.79535	0.3
82.99623	0.7
89.02442	1.0
91.01901	1.5
91.05551	1.7
95.01383	0.3
96.35314	0.3
108.02174	0.9
109.01176	1.7
109.02978	0.4
117.03474	4.6
119.05042	3.2
123.02754	3.4
135.04532	1.4
137.02472	0.4
139.00447	0.4
146.11102	0.3
149.00682	3.8
150.01498	2.4
151.02248	45.8
152.01305	0.6
152.02556	2.1
161.02455	4.3
179.05679	0.3
192.99648	1.2
195.01218	100.0
196.01573	5.8
223.35204	0.3
239.00198	22.7
240.00394	1.5
341.10852	1.1
357.06613	1.0
401.05496	30.2
401.10614	2.0
402.05859	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03450	0.4
57.48957	0.3
59.01381	6.9
59.01680	0.5
61.08915	0.3
61.98829	1.7
69.76464	1.5
69.76890	0.4
71.01384	7.4
72.99319	0.5
73.02952	2.5
75.00884	0.4
83.00922	0.3
83.01396	1.3
83.05029	0.4
84.94928	0.2
85.02955	4.0
87.00892	0.9
89.02454	2.6
93.03467	3.8
95.01393	0.5
97.02975	0.3
98.19975	0.4
99.00893	0.8
99.24659	0.3
101.02451	5.0
105.03474	0.6
109.02958	0.4
109.27489	0.3
111.00889	0.5
113.02461	2.9
117.03521	1.5
117.27981	0.3
119.03532	0.7
119.05058	0.8
121.02976	0.6
123.84892	0.3
125.02487	0.5
132.02164	0.9
133.02969	30.4
133.10149	0.4
134.03378	1.6
135.04538	6.0
137.02455	6.5
138.02824	0.3
142.41577	0.3
143.03546	0.3
145.02983	1.5
149.00705	0.4
152.01227	0.4
153.01991	0.4
159.03014	0.5
160.08983	2.2
161.02458	100.0
162.02803	4.4
163.04041	1.2
173.04607	0.7
173.09804	0.3
175.11304	3.2
179.03522	2.7
191.05623	20.4
219.10263	3.4
220.10606	0.7
251.11331	3.6
287.88104	0.3
297.12582	0.6
325.10773	0.3
337.09238	4.0
355.13043	0.5
399.12918	72.1
400.13281	8.4
400.18225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22330	0.9
53.32043	1.0
55.01869	2.1
57.03438	3.1
58.00587	4.0
58.57193	0.9
59.01375	73.0
61.98829	5.9
65.36784	1.0
67.01872	0.9
69.49754	5.8
69.50167	2.5
71.01381	49.7
72.01713	2.0
72.99304	4.7
73.02938	4.7
74.42898	1.0
75.00874	2.2
77.47543	1.2
78.95911	1.5
81.70498	1.0
83.01382	4.1
83.05029	5.9
85.02951	18.8
86.65286	1.2
87.00870	3.0
89.02450	33.9
91.05529	1.7
93.03461	7.2
93.07095	4.1
95.01396	4.9
99.00889	2.6
99.04528	1.1
101.02451	29.5
102.02852	1.0
107.05022	1.1
108.02182	2.3
109.02953	1.9
113.02460	17.1
117.03522	1.5
117.34286	1.0
119.03522	11.3
119.05034	3.0
121.02999	3.6
122.03720	2.9
123.04554	2.4
125.02489	1.9
129.01953	1.3
131.03517	1.9
132.02174	3.4
133.02972	9.4
133.10252	6.0
134.03705	3.1
135.04546	4.9
136.01668	2.5
137.02454	15.0
138.47816	1.0
143.03552	1.7
145.02972	1.4
145.06599	5.2
149.99605	1.5
152.01190	2.0
152.99564	2.0
157.10236	3.2
159.02962	1.9
159.08229	6.1
160.01663	23.6
160.08946	53.3
161.02467	25.7
161.04515	8.7
161.09293	3.1
168.00648	1.6
171.10292	7.9
173.04602	4.9
173.09752	9.9
175.04010	31.2
175.11292	89.3
176.11642	5.8
179.03494	10.6
179.05501	1.5
191.05540	1.5
192.06264	1.0
192.99622	1.3
193.05049	5.2
194.05276	1.4
201.09468	1.1
209.04547	3.3
211.07684	1.6
219.10262	100.0
220.10551	5.6
239.05577	9.4
241.45488	1.0
251.11339	31.7
252.11681	1.6
255.02892	1.9
255.06470	1.4
292.12900	1.0
315.07294	3.9
399.12689	29.8
399.16629	70.4
400.12573	2.4
400.17517	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	399.1297
Annotation	Dracunculifoside E
Peak:m/z	Relative Intensity
53.54737	0.6
55.01886	0.8
57.03444	1.0
58.00608	1.1
58.33588	0.7
59.01377	18.3
61.98841	0.8
63.31384	0.7
63.67422	0.6
69.45525	6.6
69.45878	0.8
71.01384	14.5
73.02955	3.8
83.01402	2.5
85.02946	6.6
87.00889	1.6
89.02444	5.6
93.03457	0.9
95.01402	0.9
97.02946	0.7
99.00890	1.5
101.02449	11.6
113.02451	5.2
117.03507	0.9
119.03562	1.0
121.02927	0.9
129.02005	0.9
132.02185	14.4
133.02977	14.6
133.10258	1.0
134.03777	11.8
135.04515	3.2
137.02505	4.4
149.06110	1.8
152.99599	0.7
160.01671	78.6
160.08917	6.6
161.02461	44.1
161.04608	2.5
162.02849	2.6
171.10284	2.1
173.04718	0.9
173.09729	1.6
175.04012	97.3
175.11292	11.9
176.04350	5.9
177.01854	0.9
178.02715	0.9
179.03473	4.0
180.76147	0.8
193.05061	16.5
194.05397	0.7
219.10255	12.2
220.10635	1.8
227.03435	1.1
239.05605	2.1
251.11296	5.8
255.02925	2.2
279.49582	0.7
284.03290	2.3
285.03970	5.0
369.10098	0.9
384.10474	2.1
390.55768	0.9
399.12836	100.0
400.13239	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	397.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
56.96580	0.2
57.03446	0.4
59.01381	3.6
61.78530	0.2
61.98833	2.3
69.33882	2.1
71.01386	4.2
72.99284	0.3
73.02945	1.2
75.00891	0.3
83.01416	0.7
83.05018	0.2
83.58820	0.2
85.02963	3.4
87.00893	0.4
89.02457	0.8
93.03473	1.0
95.01389	0.4
99.00874	0.6
101.02462	2.7
108.02177	0.3
109.02960	0.2
110.18069	0.2
113.02457	1.4
117.03479	22.2
118.03829	0.9
119.03582	0.3
119.05033	5.5
120.05353	0.3
121.02977	0.8
122.03725	0.4
123.04514	0.3
129.01941	0.2
137.02469	1.3
145.02974	100.0
146.03314	5.3
152.01178	0.3
159.03050	0.3
161.04521	0.5
163.04034	7.7
164.04399	0.4
177.04036	0.3
235.13446	0.3
316.66022	0.2
355.08371	0.4
367.17709	0.4
397.15036	49.6
397.60919	0.2
398.15344	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	399.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98083	0.3
61.98827	1.0
62.32944	0.2
66.85822	0.3
70.73703	1.0
78.95911	0.3
96.96960	0.5
121.01193	0.8
147.99884	0.9
149.00685	85.0
150.01041	3.8
192.99654	100.0
193.99971	6.2
206.84209	0.3
236.98622	34.7
237.98969	1.8
252.96056	0.3
311.06076	0.4
355.05008	1.4
399.03925	6.8
400.04428	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81034	0.3
55.01882	0.5
58.00578	0.5
59.01094	0.6
59.01378	10.3
61.98827	3.7
69.26744	3.7
71.01383	11.5
72.99319	0.4
73.02951	0.7
77.03996	0.3
81.10718	0.3
83.01389	0.7
83.90003	0.3
85.02937	0.8
89.01947	0.4
89.02435	2.3
95.64579	0.3
97.02993	0.3
99.00906	0.7
99.34438	0.3
101.02443	2.5
101.24246	0.3
107.05019	0.4
108.02186	0.7
109.02971	6.9
113.02465	1.3
115.04053	0.7
118.98444	0.3
119.03498	0.6
119.05046	0.4
121.02968	100.0
122.03301	4.2
125.02440	0.4
133.05098	1.0
133.06534	0.4
135.04538	87.8
136.04860	4.0
137.02463	0.5
147.04555	0.6
149.02449	0.3
152.01155	1.2
153.01959	4.6
158.61829	0.3
161.04521	0.3
161.06061	0.3
163.04022	10.8
164.04315	0.5
189.05592	0.5
193.05013	1.1
202.85548	0.4
217.04993	0.6
223.06058	2.5
237.20308	0.3
320.50040	0.3
399.12936	61.8
400.13312	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	399.1298
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
52.64666	0.4
55.01875	0.5
59.01379	10.4
61.98826	9.2
64.73979	0.5
66.85491	0.5
71.01383	11.8
72.99323	0.6
73.02949	0.8
83.01390	0.9
85.02959	1.6
89.02445	2.8
99.00854	0.9
101.02457	3.2
103.00332	0.5
108.02184	2.0
109.02966	11.5
113.02434	0.9
115.03964	0.6
119.03510	0.6
119.84958	0.5
121.02968	100.0
122.03307	3.4
133.05032	1.3
135.04538	89.3
136.04877	4.3
137.02435	0.5
147.04639	0.5
152.01176	1.6
153.01965	7.3
163.04034	9.1
193.05055	1.4
217.05214	0.6
221.60637	0.5
223.06120	2.1
331.74420	0.5
399.12964	67.5
400.13211	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	394.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.7
60.01718	0.8
61.98829	100.0
62.39672	0.3
63.78561	0.3
66.75226	0.3
69.35477	0.4
69.36088	3.0
69.36406	0.5
70.43282	0.3
71.01389	1.7
73.02948	0.6
75.00887	0.4
83.01381	0.4
85.02966	1.0
89.02448	0.5
98.19894	0.6
99.00868	0.6
101.02460	1.7
102.93085	0.4
106.06649	0.8
113.02452	0.5
120.76923	0.3
125.02457	0.4
136.38252	0.4
145.02960	0.3
150.05640	0.5
161.04652	0.6
173.04530	0.4
181.23442	0.3
191.05629	0.5
197.08379	0.4
263.14951	2.5
310.13611	0.3
323.12695	0.3
334.12350	0.3
356.09955	0.5
395.13773	0.4
395.19147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01518	0.2
59.01373	3.1
59.01653	0.3
60.01716	0.4
61.01796	0.4
61.92133	0.2
61.98829	100.0
64.95322	0.2
69.23103	2.6
71.01403	2.0
72.01710	0.3
73.02953	0.6
78.64973	0.2
85.02977	0.3
89.02442	1.5
90.02792	0.3
98.19926	0.5
99.00911	0.3
101.02467	0.9
113.02468	0.4
131.03561	0.4
149.04533	0.5
170.80318	0.2
191.05713	0.6
262.13535	0.3
366.20004	0.3
377.46667	0.2
394.18137	0.5
395.17078	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	394.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32501	0.3
59.01379	4.6
61.36860	0.2
61.98830	100.0
62.98539	0.3
65.47048	0.2
69.83187	0.2
71.01394	0.5
73.02917	0.3
83.89805	0.2
85.02972	0.4
87.00893	0.3
89.02488	0.3
90.06855	0.2
98.20681	0.4
101.02460	0.6
108.14399	0.2
109.02964	0.3
113.02484	0.4
117.03485	0.3
118.10479	0.3
123.04560	0.3
125.02438	0.3
132.33148	0.2
137.02557	0.3
143.10817	0.4
145.02956	1.5
161.02466	0.3
162.02725	0.3
163.03979	0.3
185.17816	0.2
222.48164	0.3
230.02327	0.3
230.79874	0.2
231.02885	0.3
243.02979	0.5
244.06955	0.3
271.02435	0.2
335.20709	0.4
395.07901	0.8
395.13434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86200	0.5
59.01377	8.7
59.13871	0.5
61.98827	100.0
64.94840	0.6
66.91687	0.6
71.01386	2.3
71.64108	0.6
71.64534	1.0
73.02966	0.8
77.03973	0.9
78.95873	0.7
83.01402	1.3
85.02962	1.1
87.00852	0.8
89.02488	0.5
93.03470	1.3
95.01424	1.2
96.96030	0.7
97.02953	5.9
99.00913	0.7
101.00303	0.5
101.02439	1.3
105.77184	0.5
109.02973	1.8
110.82667	0.5
113.09548	0.5
117.03506	2.3
119.05052	1.0
121.02986	7.9
123.00892	0.9
125.02525	0.7
135.67343	0.5
137.02455	16.9
145.02960	10.4
147.04515	0.5
152.99637	0.8
163.04010	0.8
165.01939	64.8
166.02315	2.5
168.00677	0.7
169.47356	0.5
181.56775	0.5
197.04558	23.2
198.04930	1.5
203.37717	0.5
209.00888	0.8
227.45424	0.5
239.06996	0.6
272.09079	0.7
301.03546	14.8
301.06799	1.0
302.03976	1.4
308.99472	0.6
333.06146	19.2
333.10028	1.1
334.06540	2.2
336.21469	0.6
336.94943	0.7
397.15347	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	396.1512
Annotation	R-L3
Peak:m/z	Relative Intensity
55.01862	0.6
57.03454	3.4
58.00578	0.5
59.01382	12.1
61.98558	0.7
61.98830	8.8
67.01898	0.5
68.99802	0.8
69.03465	1.0
69.86206	3.1
71.01383	24.4
71.05016	7.0
72.99306	2.2
73.02940	1.1
75.00877	16.9
78.95901	1.1
83.01395	1.5
84.02145	0.6
85.02952	9.4
87.00900	6.2
87.04524	1.0
88.04047	66.1
88.98792	0.7
89.02449	4.3
89.04372	0.8
89.83268	0.5
96.96028	0.9
96.96961	2.7
97.02970	1.2
98.20600	1.2
99.00894	4.8
101.02441	2.4
103.00349	0.7
103.04039	1.0
111.00864	1.4
112.03999	0.6
113.02463	1.4
116.07162	2.2
117.05586	0.6
129.01949	10.8
129.05566	0.8
131.03508	0.6
137.02391	0.9
141.01915	0.8
142.49026	0.6
146.08238	36.0
147.08617	0.9
159.02997	3.6
161.04527	0.6
177.04057	44.6
178.04317	1.3
182.32439	0.6
195.05148	7.6
218.10329	49.5
219.10596	2.0
283.10168	0.6
336.13623	0.9
341.38879	0.8
360.13046	0.7
364.92148	0.6
378.14072	0.7
388.53833	0.6
396.15091	100.0
397.15616	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	397.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07142	0.3
57.03463	0.4
59.01378	16.1
60.01710	0.4
60.25168	0.3
61.98829	13.1
69.23349	1.5
69.23779	1.8
71.01380	4.2
71.05016	0.4
72.99296	0.4
73.02953	1.9
75.00883	2.2
78.95907	45.4
79.95757	0.4
83.01388	0.5
84.33717	0.3
85.02964	2.1
87.00877	1.2
87.04507	1.6
88.04056	5.1
88.98820	0.9
89.02452	3.0
89.04385	1.1
90.04493	0.2
93.03465	1.8
95.01397	0.4
95.79974	0.3
96.96058	11.1
96.96970	100.0
97.02961	1.0
98.02501	1.2
99.00883	0.5
99.04556	0.5
101.02432	2.5
103.04009	2.4
113.02482	1.7
115.04015	1.0
117.05585	0.8
119.03526	1.0
119.51443	0.3
125.02459	2.2
129.01936	0.4
134.04741	0.3
137.02458	3.1
139.00388	0.3
145.05139	0.6
146.08232	1.7
147.08545	0.8
161.04553	0.9
169.13335	0.3
175.06155	0.4
177.04037	1.3
178.04411	0.9
195.05133	0.4
218.10339	2.5
218.96077	2.1
219.10657	2.5
233.98334	1.0
235.06183	0.5
240.44852	0.3
299.07733	0.6
301.99756	0.3
305.08649	0.4
315.07156	0.5
337.04175	0.5
337.14771	1.3
396.15021	0.6
397.04578	1.5
397.15295	4.9
398.15253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05821	0.4
54.69058	0.5
55.01883	0.6
57.03444	0.5
58.00603	0.7
59.01375	15.6
60.01716	0.7
61.98840	2.4
68.72054	0.5
69.28714	5.4
71.01382	15.0
72.99306	0.9
73.02953	3.5
75.00858	0.7
78.95895	0.6
83.01405	1.7
85.02961	4.5
87.00876	1.1
89.02441	5.0
95.01377	0.9
97.02976	0.5
97.17696	0.5
99.00892	2.2
101.02451	8.7
102.16749	0.5
107.05010	2.5
109.02979	1.3
113.02465	7.4
117.03495	1.0
119.03509	1.8
119.05006	1.1
121.02984	0.8
122.03759	1.8
125.02441	0.7
131.08675	1.6
135.04535	81.0
136.01653	0.9
136.05206	4.4
137.05833	0.6
139.07655	1.4
143.03525	1.4
145.02969	4.8
147.04529	1.6
148.05362	0.5
149.04539	0.5
154.02736	1.7
157.06586	2.6
159.02980	1.9
160.05280	2.8
161.04572	12.1
161.05899	0.7
161.09709	1.1
162.05017	0.5
163.04027	1.9
163.07712	0.9
164.04807	7.8
165.05370	0.5
167.08275	0.7
171.08122	0.5
173.09703	9.6
174.10069	1.0
175.04056	0.9
175.07646	6.4
175.11252	0.6
175.28679	0.5
176.08278	0.7
177.09256	2.8
179.10703	0.5
189.09331	0.5
189.12814	0.5
190.09996	100.0
191.10739	32.8
192.11147	2.9
195.10231	0.5
205.08672	5.7
205.12073	0.8
215.10710	1.1
218.09436	0.5
223.09656	0.6
233.11862	3.0
235.06213	0.6
245.11847	0.6
265.07159	1.3
284.08987	4.9
353.16129	2.3
397.11282	0.9
397.14893	11.8
398.15195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15072	0.5
55.01877	0.7
57.03452	5.0
59.01375	12.6
61.98819	2.1
69.03458	2.1
69.40781	4.9
71.00998	1.0
71.01382	12.8
72.99300	2.4
73.02950	23.8
75.00462	0.9
75.00872	11.7
83.01395	0.9
84.02174	1.0
85.02955	11.5
87.00881	8.6
89.02451	5.1
89.90112	0.6
95.01423	0.7
95.05045	1.2
97.02949	3.3
97.06599	31.6
98.06926	1.2
98.37988	0.7
99.00885	3.8
101.02449	2.8
111.00880	0.9
113.02456	3.2
115.04004	1.1
119.03515	0.5
121.06559	0.5
123.04523	2.0
124.74907	0.4
125.66653	0.5
129.01956	10.2
130.05089	0.5
141.01955	2.3
141.05598	24.4
142.05937	1.4
143.07124	2.1
144.98898	0.5
153.09215	7.4
159.02998	2.3
162.03214	1.2
171.10281	3.8
177.04073	49.3
177.05540	4.9
178.04337	2.1
179.05638	0.6
184.21167	0.5
195.05104	1.2
197.08170	1.5
215.09236	14.1
216.09576	0.5
249.06047	1.3
257.10315	3.2
317.12399	0.9
319.10330	4.6
331.14142	1.1
357.11795	0.6
375.12973	15.5
376.13211	2.1
393.13983	100.0
394.14352	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	393.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15648	0.7
55.01877	1.5
57.03438	4.3
59.01375	41.5
61.98831	4.0
69.03454	2.3
69.90318	3.0
69.90726	1.3
71.01385	13.8
72.99309	3.8
73.02538	1.3
73.02951	25.3
75.00871	10.4
76.14372	0.7
83.01369	0.9
84.02179	1.3
85.02961	10.7
87.00879	7.7
87.04565	1.0
89.02454	5.0
95.05026	1.1
97.02934	3.7
97.06599	23.0
98.06917	1.2
99.00890	6.3
101.02437	3.8
113.02449	1.7
115.92095	0.8
116.92832	0.9
117.01924	0.7
119.03539	1.0
119.05034	0.7
123.04528	1.4
129.01967	10.6
134.03757	0.7
141.01906	2.1
141.05585	20.6
142.05843	0.9
143.03395	0.7
153.09221	12.5
159.02954	2.6
160.01657	4.2
161.04553	1.1
171.10287	5.7
173.04558	1.1
175.03972	7.0
177.04053	48.7
178.04381	1.4
191.05624	1.2
193.04980	1.3
195.05063	1.0
197.08145	2.9
210.96890	0.9
215.09247	20.0
216.09583	1.1
216.87753	0.6
217.04939	1.0
257.10410	3.4
317.12479	0.8
319.10242	2.4
331.13989	1.4
333.15512	9.6
334.15756	0.8
355.10422	3.4
375.12946	17.6
376.13141	1.8
393.13959	100.0
394.14310	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20168	0.2
54.19634	0.3
55.01880	1.6
57.03450	1.7
58.00590	3.8
59.01377	89.1
60.01716	1.0
61.98561	0.4
61.98835	3.4
63.33317	0.2
69.03461	1.0
69.63605	1.9
71.01382	68.0
72.01733	0.9
72.99315	3.4
73.02950	10.7
74.22334	0.2
81.03458	0.3
83.01391	3.1
85.02955	10.4
86.00104	1.5
86.03319	0.5
87.00340	0.3
87.00882	9.2
89.02450	100.0
90.02761	1.8
93.03458	0.6
95.01382	1.2
97.02966	1.0
99.00872	1.2
101.02453	45.5
102.02788	1.3
103.04060	0.4
111.00888	1.2
113.02462	13.6
114.02814	0.4
119.03519	8.8
125.02453	2.2
129.01990	0.3
131.03517	46.2
132.03839	1.5
137.02457	0.3
143.03526	1.6
149.04572	68.3
150.04922	2.0
161.04599	1.7
173.04576	0.6
179.05621	2.9
188.04787	0.3
189.05606	5.4
190.05986	0.4
191.05626	23.1
192.05966	1.0
216.04346	0.6
231.06700	1.4
233.06610	0.7
238.56741	0.2
245.05038	0.3
251.07698	0.8
261.13425	0.7
281.08530	0.3
303.20978	0.3
393.12323	0.7
393.17551	11.5
393.28732	0.4
394.18008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20168	0.2
54.19634	0.3
55.01880	1.6
57.03450	1.7
58.00590	3.8
59.01377	89.1
60.01716	1.0
61.98561	0.4
61.98835	3.4
63.33317	0.2
69.03461	1.0
69.63605	1.9
71.01382	68.0
72.01733	0.9
72.99315	3.4
73.02950	10.7
74.22334	0.2
81.03458	0.3
83.01391	3.1
85.02955	10.4
86.00104	1.5
86.03319	0.5
87.00340	0.3
87.00882	9.2
89.02450	100.0
90.02761	1.8
93.03458	0.6
95.01382	1.2
97.02966	1.0
99.00872	1.2
101.02453	45.5
102.02788	1.3
103.04060	0.4
111.00888	1.2
113.02462	13.6
114.02814	0.4
119.03519	8.8
125.02453	2.2
129.01990	0.3
131.03517	46.2
132.03839	1.5
137.02457	0.3
143.03526	1.6
149.04572	68.3
150.04922	2.0
161.04599	1.7
173.04576	0.6
179.05621	2.9
188.04787	0.3
189.05606	5.4
190.05986	0.4
191.05626	23.1
192.05966	1.0
216.04346	0.6
231.06700	1.4
233.06610	0.7
238.56741	0.2
245.05038	0.3
251.07698	0.8
261.13425	0.7
281.08530	0.3
303.20978	0.3
393.12323	0.7
393.17551	11.5
393.28732	0.4
394.18008	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03448	4.6
59.01376	100.0
60.01710	1.4
60.99302	0.6
61.84899	0.3
61.98831	7.5
69.83251	1.9
71.01379	5.5
71.01775	0.4
72.99339	0.8
73.02946	2.1
74.28858	0.3
75.00873	2.6
77.60781	0.3
83.01408	0.6
85.02949	3.0
87.00906	0.3
88.98815	4.3
89.02452	1.1
93.03481	0.4
95.01363	0.5
97.06583	0.6
98.20003	0.4
99.00896	0.8
99.04525	4.4
101.02452	6.4
102.02817	0.4
113.02448	2.3
123.08224	0.5
125.02465	1.6
125.09721	3.0
126.36047	0.3
129.02023	0.4
131.03644	0.3
143.03523	0.3
159.03058	1.0
161.04524	3.1
173.04556	0.8
187.08197	0.4
187.09673	2.0
191.05676	0.5
249.13406	0.8
316.53326	0.3
333.19165	15.2
334.19547	1.8
393.12094	0.5
393.17450	7.3
394.18057	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03442	1.2
57.82987	0.3
59.01376	100.0
60.01713	1.0
61.79767	0.2
61.98826	12.2
61.99149	0.6
71.01382	13.6
72.99306	0.4
73.02947	4.6
75.00861	0.4
81.03464	0.3
83.01405	2.1
85.02959	6.1
87.00887	0.9
89.02446	3.2
94.96210	0.3
95.01390	1.0
97.02962	0.7
98.20667	0.4
99.00294	0.5
99.00865	2.1
101.01788	0.5
101.02448	9.2
101.06097	1.4
102.02779	0.3
105.54285	0.3
111.00907	0.7
113.02453	5.0
115.07663	0.7
116.07193	0.3
119.03522	1.1
125.02464	0.9
127.11333	0.3
129.01987	0.4
137.88066	0.3
143.03517	0.7
159.02991	1.4
161.04581	8.0
173.04515	0.4
176.61441	0.3
186.15115	0.4
196.64867	0.3
229.18042	1.2
331.17566	3.2
332.17993	0.4
353.40915	0.3
391.15735	0.5
391.23297	12.7
392.19232	2.8
392.23770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.1
61.98830	100.0
71.65125	0.9
89.02447	0.8
89.65026	0.6
175.82822	0.6
228.76343	0.6
230.47406	0.6
231.31113	0.6
250.29242	0.6
253.21706	1.8
255.23415	2.0
284.25928	0.9
328.25064	0.9
331.17636	0.7
391.24905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.5
59.01376	11.8
61.98829	100.0
69.47533	0.9
69.47936	2.1
71.01387	6.5
73.02937	2.2
75.00867	0.5
78.84673	0.3
83.01404	1.1
85.02956	3.3
89.02461	1.5
99.00909	0.7
101.02449	5.7
113.02441	2.4
119.03444	0.4
126.29051	0.3
134.18146	0.3
143.03505	0.4
155.21664	0.3
159.02982	0.3
161.04597	2.5
191.05609	0.4
241.84097	0.4
261.13409	13.6
271.93268	0.3
282.03668	0.4
332.09543	0.6
333.15579	1.0
392.16287	0.4
393.13177	0.5
393.17648	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	393.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.4
59.01378	33.2
61.98832	16.5
69.03460	1.4
69.45737	10.8
71.01382	13.1
72.99318	1.3
73.02950	9.4
75.00869	4.4
78.38486	1.0
78.95897	1.3
85.02954	5.7
87.00900	2.9
89.02438	10.1
93.89539	1.0
97.06596	9.1
98.02609	1.2
99.00898	1.9
101.02448	4.9
111.00900	1.5
111.10434	1.1
113.02428	3.8
115.03974	1.1
115.92071	2.0
116.92855	4.2
118.16184	1.2
119.03519	4.5
123.04493	1.9
129.01964	3.4
141.05551	7.2
150.03246	30.4
151.03610	2.0
153.09229	2.8
157.77226	1.1
159.03018	1.7
161.04549	3.3
165.05579	34.2
166.05963	2.2
171.10226	3.0
176.91580	1.2
177.04085	10.1
177.05487	2.3
179.05624	3.6
180.04280	6.4
195.06628	100.0
196.07016	5.7
205.23982	1.3
215.09186	9.0
215.51465	1.4
219.32869	1.2
221.50838	1.3
271.09924	1.8
333.15421	4.2
357.28223	1.4
375.12964	3.3
393.04922	1.5
393.09039	2.7
393.13800	24.7
393.17462	1.9
394.14218	3.3
415.54471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98829	100.0
68.99571	3.1
70.20452	1.2
71.01392	1.2
73.02953	0.4
75.00895	0.4
78.95907	3.8
81.60605	0.2
85.02967	0.4
87.00899	0.4
89.02473	0.8
96.86231	0.2
96.96012	0.7
96.96971	8.3
96.97585	0.4
99.00894	0.3
101.02459	0.3
112.98579	4.4
113.02431	0.4
114.59055	0.2
117.32812	0.2
122.06135	0.3
128.59975	0.3
130.08730	0.3
141.05580	0.4
150.05649	0.9
173.86650	0.2
177.04027	0.2
195.06750	0.3
220.23639	0.2
261.41605	0.2
263.06247	0.4
273.08325	0.5
295.10403	0.4
312.10968	0.3
330.12015	1.0
333.09879	0.5
334.13763	0.5
336.07907	0.2
357.13141	0.4
359.05005	0.2
393.14124	1.0
394.10104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1192
Annotation	Fortuneanoside A
Peak:m/z	Relative Intensity
56.90660	0.1
57.03440	0.3
59.01375	7.6
61.98825	1.3
62.72476	0.1
69.03471	0.2
71.01366	1.0
71.59438	0.2
73.02934	0.3
74.89933	0.1
75.00880	0.3
83.01382	0.3
85.02954	0.6
89.02463	0.4
99.00844	0.2
101.02461	0.8
113.02476	0.5
115.05552	0.2
115.07613	0.1
117.07161	0.2
119.03519	0.1
119.05023	0.2
121.02952	0.4
122.03738	0.2
125.02466	1.0
127.00431	0.2
133.02960	0.2
135.02995	0.3
135.04512	0.2
137.02446	0.6
144.05824	0.3
145.02931	0.2
145.06596	1.4
147.84999	0.1
151.00392	0.4
157.96443	0.2
159.04529	0.2
159.08133	0.5
160.05237	0.3
161.02409	0.6
161.04546	0.5
161.09776	0.2
171.04489	0.3
173.04639	0.3
175.03996	0.7
177.04114	0.2
187.04016	0.4
187.05931	0.3
187.07640	6.3
188.04758	1.4
188.07945	0.5
189.05576	3.7
190.05986	0.3
191.03491	0.3
191.05635	0.2
203.03322	0.2
209.11871	0.9
213.05530	0.3
215.03569	0.5
231.06606	100.0
232.06921	7.6
232.09290	0.2
242.02084	0.3
243.02992	0.3
243.06607	0.8
253.05026	0.3
270.01605	0.2
271.02490	0.1
271.06082	0.3
287.05820	0.2
312.07510	0.5
312.57532	0.2
333.19122	0.4
375.04993	0.3
393.06070	0.2
393.11212	1.1
393.20749	0.2
393.25162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03443	1.1
59.01377	100.0
60.01725	1.0
61.98825	1.3
71.01382	10.8
72.99295	0.9
73.02952	3.7
75.00903	0.7
83.01400	1.1
85.02956	4.9
87.00900	1.3
87.04543	1.0
89.02444	5.0
95.01410	0.7
97.02959	0.5
99.00903	1.3
101.02449	9.3
101.03084	0.5
111.04545	0.5
113.02447	4.7
115.03249	0.3
115.04030	0.4
119.03525	2.7
129.02007	0.4
131.03572	0.6
135.08159	0.4
137.09793	1.5
143.03564	1.0
149.02477	0.5
150.03262	1.1
151.04085	0.6
155.10800	8.9
156.11172	0.5
159.03040	0.7
161.04573	5.6
161.05850	0.5
165.05641	1.1
169.12430	0.5
173.04625	0.6
179.05727	0.6
181.08751	0.6
181.12366	0.4
191.05678	0.4
195.06682	1.0
199.09758	9.7
211.13472	0.5
213.11304	0.5
229.14526	0.8
238.97624	0.4
241.10759	1.7
243.12466	0.4
251.25380	0.3
301.13040	1.2
331.17612	8.0
332.18112	0.4
382.41040	0.4
391.19788	9.0
391.27481	1.0
392.20044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.2
57.03446	16.7
58.00584	0.4
59.01374	34.9
60.01698	0.7
61.01794	0.5
61.98829	20.6
68.99809	0.8
69.58009	0.9
69.58408	2.0
71.01382	8.9
72.01730	0.7
72.99303	2.0
73.02948	2.1
75.00876	1.4
76.39119	0.5
83.01385	3.3
84.02192	2.7
85.02953	100.0
86.03284	2.7
87.00883	1.7
87.03328	0.5
87.60625	0.4
89.02429	2.3
93.03465	1.2
95.01362	0.6
99.00890	1.0
99.04542	3.1
101.02453	5.8
103.00389	1.8
103.21310	0.4
111.00878	4.3
113.02460	1.9
114.02759	0.5
115.00372	0.8
115.75946	0.4
116.07166	0.4
119.03514	1.1
119.04985	0.4
125.02449	1.0
129.01955	13.8
137.02431	1.0
137.09776	0.6
143.03549	0.6
145.03024	0.6
147.03006	16.5
148.03363	0.5
153.09340	0.5
155.10782	5.3
159.46484	0.5
161.04581	2.1
162.51909	0.4
163.05035	0.9
165.54655	0.4
171.05598	0.5
173.00952	3.3
179.05569	0.6
181.08682	0.7
181.12367	0.7
186.70901	0.5
191.01978	42.6
192.02304	1.5
199.09761	4.1
208.12369	0.4
229.05101	3.3
240.23505	0.4
243.12349	1.4
244.12758	0.5
267.12213	0.6
329.11649	0.5
331.17719	2.4
373.11337	1.8
391.12253	10.8
391.19745	3.3
391.27161	0.8
392.12711	1.1
392.19632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
57.03449	0.5
59.01377	100.0
60.01713	1.0
61.98846	0.5
69.35031	0.9
69.35440	2.2
71.01386	6.3
73.02958	1.2
73.12001	0.3
75.00857	0.8
78.60065	0.3
79.85698	0.3
83.01411	0.8
83.53032	0.3
85.02960	2.3
87.00899	1.0
89.02453	7.6
92.68226	0.3
99.00894	0.4
99.04543	0.5
100.45779	0.3
101.02451	5.4
106.06654	0.7
113.02460	3.7
118.99833	0.3
119.03510	3.5
125.02534	0.3
129.01974	0.4
131.03583	0.5
143.03529	0.9
149.04575	0.3
149.25262	0.3
150.05650	0.9
155.10802	2.9
161.04546	2.6
179.05659	2.9
183.10364	0.5
191.05681	0.5
199.09753	1.9
229.14493	0.5
243.12364	0.9
259.92761	0.3
327.38919	0.3
331.17542	3.5
332.18015	0.4
356.10019	0.6
391.19763	1.5
391.27371	0.6
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
52.92901	0.2
59.01097	0.4
59.01377	5.7
60.01719	0.2
61.98829	100.0
62.98534	0.2
64.21112	0.2
65.70834	0.2
71.59498	0.3
96.96028	1.2
101.02477	0.2
103.22655	0.2
107.46533	0.2
112.73055	0.2
146.38824	0.2
161.04620	0.3
167.10861	0.4
168.11240	0.2
282.42139	0.3
290.33804	0.2
391.17816	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.4
61.98827	100.0
70.92693	1.2
70.93041	2.0
89.50042	0.8
101.50689	0.9
108.38783	0.9
128.74767	1.0
142.01974	0.9
170.42928	0.9
323.39651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.2
59.01377	37.8
61.98832	7.0
62.05455	0.7
66.05113	0.7
70.78900	1.9
71.01381	12.9
72.97568	0.7
72.99309	2.2
73.02962	3.2
75.00875	3.8
78.95911	4.8
81.03455	1.5
83.01376	1.3
83.05047	1.0
85.02952	7.7
85.30402	0.8
87.00889	2.1
88.98786	3.4
89.02464	6.5
93.03484	1.2
95.05021	1.4
96.96008	2.2
96.96968	9.4
97.02988	1.4
97.06647	0.9
99.00912	1.3
101.02449	7.6
110.00103	2.6
111.00928	1.7
111.04556	0.8
113.02457	9.5
115.00354	0.7
115.92080	0.8
119.03545	1.7
123.04559	1.2
125.02457	5.0
125.05981	0.7
125.09707	1.0
127.04024	0.9
129.01967	1.1
134.03827	0.9
135.04590	0.8
137.02379	1.5
137.99600	4.8
139.00400	5.8
139.04027	0.9
143.97934	0.7
151.04002	1.7
152.01187	1.6
153.01952	100.0
154.02737	8.9
155.03548	1.9
156.15219	0.7
159.02979	1.5
161.04573	11.1
165.05519	0.7
166.02768	2.0
167.03526	9.9
168.04289	55.1
169.05080	27.6
169.08717	1.0
170.05476	1.3
177.04086	3.0
179.03453	1.1
179.05598	2.1
181.05098	1.8
191.05609	2.5
193.05046	2.4
195.05098	2.1
196.03772	0.7
209.04532	1.3
211.06113	2.1
214.04927	0.8
229.07155	2.1
247.32135	1.0
259.07956	1.1
262.96597	0.8
283.49188	0.8
293.12497	1.2
293.26694	0.8
331.10339	40.8
332.10681	3.9
347.13519	0.9
390.39075	0.7
391.12296	9.0
391.16422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2698
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
54.02836	0.2
59.01378	1.2
60.99313	1.0
61.98829	0.7
63.01873	0.2
71.04992	0.3
71.64616	0.3
83.05024	0.4
95.01406	0.2
97.36917	0.2
99.02461	0.2
109.06601	0.3
123.08170	0.2
200.70909	0.2
254.30583	0.2
259.20764	0.2
272.95599	0.2
287.23859	0.2
297.22260	0.6
307.20416	0.2
309.22455	0.2
309.25854	0.2
325.25449	1.5
326.25510	0.3
327.26849	0.4
341.24881	0.6
343.26416	3.7
344.26700	0.5
345.28024	0.2
371.25928	8.1
372.26096	1.0
389.26968	100.0
390.27316	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03444	0.8
58.00582	0.4
59.01089	0.4
59.01377	5.7
69.03451	0.4
71.01381	3.2
72.99303	0.4
73.02943	0.6
74.07067	0.2
74.13241	0.2
85.02961	1.1
89.02446	2.4
95.01384	0.5
97.02940	0.3
97.06633	0.3
101.02453	1.5
111.08167	1.1
113.02451	2.9
119.03505	1.0
119.05050	0.3
137.02437	0.4
145.02974	0.7
151.97229	0.2
161.04512	0.7
161.76524	0.3
162.52531	0.3
165.12854	20.0
166.13219	1.1
179.05579	0.5
183.13905	71.8
184.14256	5.0
197.15439	2.0
207.13922	1.1
209.11835	2.0
218.03082	0.3
225.14984	1.4
227.12878	100.0
228.13202	7.1
251.12901	2.4
261.57199	0.3
269.13931	1.7
293.14014	0.5
307.08188	0.4
309.16306	0.3
329.15985	0.4
340.02292	0.3
389.18091	3.8
389.25522	0.6
390.18427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2183
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01880	7.7
56.02218	0.3
57.03448	8.1
58.00594	2.3
58.03793	0.4
59.01378	60.0
60.01711	1.0
63.25237	0.3
68.99834	0.5
69.03457	1.2
69.26234	0.9
69.26653	2.7
71.01384	100.0
71.05019	0.4
72.01734	2.0
72.99309	3.2
73.02950	34.3
74.03311	0.5
75.00869	3.1
81.03470	0.6
83.01393	15.1
84.02165	1.0
85.02958	62.6
86.00119	0.5
86.03297	1.4
86.11095	0.3
87.00875	4.6
89.02450	15.1
90.02809	0.3
93.03474	1.6
94.03811	0.5
95.01392	8.2
95.04117	0.3
95.05073	0.3
96.01704	0.3
97.02966	2.5
99.00888	14.1
101.02454	73.6
102.02790	1.8
102.03390	0.4
103.00375	0.5
109.32379	0.3
111.00890	1.8
112.01716	0.4
113.02460	41.8
114.02818	1.2
115.04024	0.5
119.03509	4.6
123.08144	0.4
125.02455	2.6
126.95518	0.3
129.01952	4.1
131.03522	1.4
131.08627	0.7
137.02446	2.9
137.09789	0.6
138.02786	1.1
139.02940	0.8
143.03510	5.0
147.03011	2.0
147.11806	3.6
149.04553	0.4
153.09216	0.7
159.03011	11.5
161.04570	61.8
162.04898	2.5
165.12813	0.9
166.02776	0.6
167.03458	0.6
167.07176	0.3
170.92635	0.3
173.00978	0.4
177.03983	0.5
179.05646	2.7
179.10747	0.4
191.02005	4.5
191.05569	0.5
197.11864	0.6
205.03517	2.1
209.02974	0.7
209.11758	0.4
209.15385	0.3
211.09575	0.3
227.16577	2.8
228.16830	0.4
241.10796	1.1
250.06511	0.4
251.06819	0.4
389.21817	68.7
390.17377	0.4
390.22180	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	389.1453
Annotation	Reptoside
Peak:m/z	Relative Intensity
52.03978	0.8
55.01874	4.4
57.03445	2.7
58.00578	2.3
59.01377	46.1
61.98830	45.8
61.99113	0.7
69.30640	9.1
71.01384	47.5
72.01711	1.0
72.99316	2.2
73.02949	13.8
73.64510	0.7
75.00874	17.5
83.01391	8.0
85.02959	24.7
87.00875	5.6
89.02451	18.5
95.01373	4.5
97.02953	1.0
99.00890	5.6
101.02455	36.1
109.02953	3.2
111.00874	1.5
113.02467	16.0
119.03506	8.9
121.02972	0.9
125.02462	1.4
128.32150	0.9
129.01958	1.4
131.03514	2.6
137.02461	30.8
138.03262	2.0
139.00381	0.8
139.07710	1.0
143.03558	1.6
147.02953	1.0
152.04797	17.1
153.05553	2.4
153.09267	0.9
158.32088	0.8
159.03012	2.1
161.04578	7.5
161.26691	0.8
165.05536	1.5
165.09221	1.2
166.06046	1.3
167.05933	0.9
167.07173	3.6
168.03105	1.1
173.04506	0.8
178.99887	1.2
179.03566	5.0
179.05685	1.6
180.70882	0.9
184.03822	4.3
191.01979	1.6
191.05638	1.2
193.05046	2.0
194.05872	2.8
197.04532	2.9
209.08194	9.0
210.08730	1.0
212.06908	24.1
213.07187	1.4
221.06691	1.6
225.07585	1.5
227.09248	67.8
228.09612	3.8
237.06169	19.5
297.89148	0.9
301.16608	1.0
321.43735	0.8
345.15582	10.7
346.15649	0.9
389.14532	100.0
390.14880	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	389.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.7
59.01377	34.2
63.28785	1.1
69.03461	6.2
70.89835	2.5
70.90182	1.2
71.01389	6.2
73.02933	2.0
79.01890	3.5
81.68350	1.1
83.01364	2.1
85.02958	48.8
86.14378	1.0
87.00879	1.7
89.02470	2.3
93.03474	1.4
97.02956	3.6
100.75167	1.0
101.02441	3.0
103.00392	1.6
107.01414	9.7
111.00894	1.4
113.02451	2.2
125.02460	9.2
127.50378	1.2
129.01941	6.3
135.00914	13.7
135.04562	1.3
136.01662	2.3
143.61238	1.1
147.03008	8.0
149.02438	1.2
151.00414	12.2
153.01930	3.5
161.02402	1.4
161.04536	4.1
163.04047	1.6
166.02739	100.0
167.03517	24.6
177.01947	3.0
191.02023	13.0
191.05644	9.2
209.02882	3.0
209.04546	3.1
297.06293	1.4
329.08768	67.4
330.09180	5.9
353.08926	2.2
389.18237	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	389.1453
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01890	0.5
57.03442	0.6
58.00593	0.5
59.01379	100.0
60.01718	1.2
61.98832	7.8
69.59052	3.2
71.01387	8.7
72.99318	1.2
73.02952	2.4
75.00880	11.8
83.01396	1.2
85.02948	4.2
87.00932	1.4
88.98830	1.5
89.02451	4.4
89.41772	0.4
95.01416	0.8
97.02948	0.5
99.00929	0.9
101.02468	5.2
109.02950	0.7
111.00996	0.4
113.02467	4.0
119.03531	1.4
121.02982	0.6
122.03777	1.8
123.04562	0.7
123.08253	0.5
125.02467	0.6
137.02509	1.3
137.06123	0.4
143.03543	0.6
143.04582	0.4
149.06075	0.4
151.04048	0.6
152.04805	15.1
159.03062	0.8
161.04567	8.0
165.04103	0.4
165.05634	0.4
165.09210	0.7
166.05133	0.9
167.03514	1.4
167.07158	29.1
168.07584	1.0
179.03568	0.5
179.05632	0.5
191.01982	0.6
191.05664	1.4
194.05928	0.4
197.01050	0.6
209.08353	1.8
212.07065	0.7
227.01855	0.4
227.09320	2.4
237.06155	14.6
238.06598	0.7
345.15781	0.8
389.10324	0.7
389.14502	7.9
390.14691	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08543	0.2
59.01367	1.6
61.98830	100.0
65.00343	0.2
71.01398	0.2
83.01409	0.2
96.96019	0.2
103.33027	0.2
104.94318	0.2
107.01387	0.3
151.00375	3.1
325.05643	1.3
348.20096	0.2
389.23297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.3
59.33470	0.6
61.98829	100.0
69.32011	4.7
69.32439	2.4
71.01391	0.8
74.76672	0.6
78.95902	2.8
85.02956	0.7
92.75441	0.7
97.31638	0.6
107.01411	1.7
110.75423	0.6
119.05087	0.8
121.02938	3.1
122.03348	1.0
131.78810	0.6
151.00381	7.1
307.66013	0.7
325.05759	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	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01375	3.9
61.98830	100.0
68.23106	0.2
71.01378	2.2
72.99339	0.4
73.02963	0.5
75.00876	0.4
81.77277	0.2
85.02964	3.5
85.96814	0.2
87.00895	0.7
88.98830	0.5
89.02449	1.6
89.02969	0.3
91.01920	0.9
93.03481	0.8
94.03830	0.3
94.08562	0.2
97.02940	0.2
99.00883	0.4
101.02456	1.0
109.02976	0.5
110.06210	0.2
111.00900	1.7
113.02473	0.7
119.03481	0.3
125.02455	0.3
125.21631	0.2
129.01978	0.4
135.00885	0.3
136.07780	0.3
137.02486	0.8
138.02824	0.5
139.07697	0.4
147.03053	0.4
149.02472	0.4
153.02005	0.6
163.04027	0.3
164.04865	0.3
165.09283	0.3
166.05954	0.3
173.04613	0.3
178.99911	2.1
191.02034	1.0
191.05714	0.7
197.00975	1.4
207.06602	0.4
208.07030	0.4
208.09865	0.3
209.08229	0.7
223.06255	0.2
224.06471	0.3
225.06734	0.3
277.70032	0.2
345.15674	0.6
388.12424	1.1
389.06985	2.0
389.14532	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	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.2
59.01376	9.9
60.01712	0.6
61.98828	100.0
62.98512	0.3
65.59106	0.2
70.04230	0.6
70.04623	0.5
71.01373	1.5
71.06800	0.2
73.02973	0.6
75.00871	0.4
79.44726	0.2
85.02963	2.1
89.02454	0.6
93.03476	0.4
101.02467	0.7
113.02478	0.7
119.03481	0.3
119.05029	0.3
129.01941	0.3
137.02501	0.5
138.02843	0.2
139.07643	1.8
145.02977	0.4
161.04616	0.5
165.09245	0.5
166.09573	0.3
191.01978	0.5
191.05627	0.3
209.08217	2.2
226.08150	0.5
267.09637	0.2
329.12515	0.3
329.16119	0.3
353.09042	0.3
388.13022	0.4
388.17291	0.6
389.14264	0.3
389.18555	0.3
410.74554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89173	0.2
56.51420	0.2
56.79066	0.2
59.01374	2.7
61.98830	100.0
69.36254	1.1
69.36684	1.2
71.01391	0.8
75.00867	0.6
85.02976	0.5
87.00830	0.3
88.98814	0.4
89.02473	0.5
101.02457	0.4
113.02512	0.4
119.03533	0.4
119.05044	0.6
120.05342	0.4
135.04594	0.3
137.02422	0.3
152.04837	0.4
153.05592	0.5
161.04549	0.3
163.04066	0.3
164.04379	0.3
167.07147	0.4
189.95963	0.2
206.93570	0.2
208.06935	0.3
225.07657	0.3
227.09314	0.3
237.06245	0.7
253.97989	0.2
267.66870	0.3
269.12241	0.2
288.80112	0.2
290.83853	0.3
292.20871	0.2
303.51788	0.2
388.13519	0.5
389.14667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09113	0.2
57.03446	0.3
59.01376	9.4
60.01709	0.5
61.98829	100.0
62.98544	0.3
63.13332	0.2
66.78828	0.2
71.01388	1.3
71.05009	0.2
71.05428	0.2
71.63786	0.3
73.02958	0.3
73.89712	0.2
75.00861	0.2
77.90792	0.2
78.53979	0.2
83.01405	0.2
85.02956	1.9
87.00888	0.3
89.02446	1.1
93.03481	0.3
99.00916	0.2
101.02438	0.9
113.02481	0.4
114.02785	0.3
119.03522	0.2
119.05038	0.2
125.02492	0.3
127.57063	0.2
129.01935	0.3
137.02490	0.7
138.02824	0.6
139.07684	1.3
145.02940	0.4
147.03027	0.3
149.57999	0.2
151.03989	0.3
161.04585	0.6
165.09184	0.3
166.09560	0.5
191.01976	0.5
191.05676	0.6
209.08252	1.8
225.07751	0.3
226.08093	0.5
243.73067	0.2
304.73767	0.2
313.77231	0.2
388.12888	0.9
388.17233	0.6
389.14075	0.3
389.18475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.57157	0.5
57.03440	1.0
59.01381	7.5
61.98824	2.1
71.01386	4.9
71.56986	0.8
73.02947	5.0
83.01394	1.1
83.34005	0.6
85.02956	2.9
86.03702	0.6
87.04543	0.7
89.02453	2.7
89.12347	0.5
95.01420	0.9
95.05029	1.0
97.02957	0.9
97.06621	0.7
101.02461	4.0
107.05051	0.8
109.06604	0.8
111.08156	0.8
113.02468	3.2
117.97530	0.6
119.03484	1.2
125.02489	1.1
125.07617	0.6
137.02470	1.9
139.02940	1.0
151.00380	1.9
161.04555	1.3
161.09764	0.6
163.11301	5.3
179.10771	2.5
180.03784	0.6
181.12354	31.8
182.12675	1.6
193.65976	0.6
195.13907	1.2
197.27608	0.6
203.07103	0.6
207.10297	1.0
223.13408	2.7
225.05611	4.1
225.11322	100.0
226.11656	8.4
249.11137	2.0
267.12311	6.3
292.12091	0.6
325.05618	0.8
327.14267	3.9
387.16489	1.5
387.24039	2.4
398.38986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27583	15.1
56.67601	18.3
59.01364	43.1
61.98832	86.2
82.37837	14.7
89.02432	19.8
101.68140	16.0
120.47633	16.2
151.00385	100.0
242.95583	19.5
325.05692	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82863	18.3
52.44611	20.4
59.01371	45.2
61.98825	97.6
71.55635	24.9
151.00359	100.0
161.32542	21.8
169.15021	18.1
251.05124	20.3
271.31723	21.1
325.05450	42.2
407.37689	19.6
410.80441	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	387.254
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
51.77301	0.2
57.03419	0.2
59.01362	0.6
60.99300	0.8
61.98828	4.3
64.36300	0.2
69.44448	0.9
69.44871	0.8
71.01367	0.3
74.51115	0.2
76.15197	0.2
83.05027	0.5
96.45492	0.2
107.01461	0.2
109.06611	0.2
110.09857	0.2
132.20049	0.2
151.00380	1.2
189.53337	0.2
190.44380	0.2
223.47301	0.2
241.20184	0.2
295.20657	0.7
297.06412	0.3
307.20862	0.4
307.24146	0.4
323.23849	1.7
324.24130	0.2
325.05618	0.6
325.25415	0.2
339.23257	0.3
341.24826	3.1
341.28555	0.3
342.25116	0.4
343.26541	0.3
345.10977	0.2
369.24341	7.8
370.24725	0.8
375.51172	0.2
381.10944	0.2
385.23752	0.5
387.25385	100.0
388.25745	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	387.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.7
60.98617	0.7
61.98841	3.8
61.99104	0.7
69.86865	4.2
71.01372	0.8
72.99306	11.7
73.02959	7.7
75.00877	72.3
76.01196	1.0
80.72086	0.8
84.11716	0.7
89.26238	0.7
93.44041	0.8
132.21368	0.7
135.08989	0.8
151.00404	2.0
167.86911	0.7
192.44960	0.8
228.36208	0.8
267.26910	1.3
307.30249	0.8
387.31143	100.0
388.31464	13.3
389.98779	0.8
402.90634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92871	0.3
59.01379	1.2
61.98832	100.0
70.10403	1.0
78.85675	0.3
98.20007	0.4
100.31744	0.3
121.24240	0.3
204.06496	0.3
334.56625	0.3
338.19113	0.3
369.23660	0.3
387.25586	0.6
393.03174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
57.03452	2.2
58.00593	2.3
59.01377	43.7
61.98829	38.7
61.99150	2.2
69.17977	0.9
71.01385	22.3
71.34824	2.0
72.99303	2.5
73.02946	3.9
75.00867	2.2
78.95911	2.6
83.01382	2.0
85.02956	9.6
86.99989	0.9
87.00894	7.7
87.57895	0.9
89.02444	20.7
90.02779	1.0
93.03447	6.7
95.01395	1.8
96.96018	2.8
96.96990	2.5
99.00912	1.2
101.02469	15.0
107.04933	1.0
109.02941	4.2
111.00915	1.5
113.02460	8.9
119.03510	11.7
121.02151	1.6
121.02972	25.8
122.02484	1.2
122.03818	2.0
123.04548	2.6
125.02500	1.1
131.03528	1.7
135.04445	1.1
137.02475	12.9
137.06030	1.5
139.98537	1.0
143.03494	1.5
144.23230	1.1
145.06601	1.0
149.02507	4.6
150.03203	3.5
151.04024	2.7
152.04852	1.8
157.94528	0.9
161.04514	2.2
163.07668	6.4
164.04854	2.8
165.05580	83.1
166.05922	4.1
167.03563	1.6
167.07188	1.0
175.04054	1.0
177.01941	18.6
178.02460	1.5
179.05592	2.7
190.02513	1.5
191.05603	1.8
192.04272	18.3
193.04855	1.2
195.02998	8.7
195.05103	3.6
195.10207	0.9
207.06639	19.8
208.06880	1.1
209.04369	1.5
210.05394	9.2
223.06140	3.4
224.06400	1.6
225.07697	100.0
226.08052	7.9
239.09375	1.5
297.65137	1.1
324.13950	1.9
327.10687	1.4
343.07175	1.7
344.07175	1.2
387.13007	63.7
388.13229	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	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.8
59.01377	42.0
61.98831	42.2
69.76176	4.0
71.01386	22.1
71.01768	1.4
72.01737	0.6
72.99324	1.4
73.02963	2.3
82.88840	0.8
83.01406	1.0
85.02973	6.0
87.00900	2.1
88.98782	0.7
89.02451	24.0
93.03466	11.5
94.03855	1.0
95.01405	2.3
98.20559	0.9
99.00932	1.0
101.02456	16.7
105.05608	0.8
113.02451	8.6
119.03513	10.8
121.02997	2.4
125.02450	1.0
131.03529	1.0
137.02457	31.9
138.02771	1.5
143.03452	0.8
149.02429	3.9
149.04518	0.8
151.04010	0.9
157.00490	0.8
161.04631	1.1
163.11244	1.4
177.01944	31.0
178.02547	2.0
179.03627	1.3
179.05600	1.4
191.05687	1.2
192.04295	45.8
193.04681	3.6
195.10123	0.8
207.06636	100.0
208.06949	6.4
225.07602	1.0
239.05617	1.9
239.09189	0.9
387.12875	31.8
388.13113	2.2
389.77731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03441	0.7
58.00575	0.7
59.01378	16.2
61.70559	0.2
61.98512	0.5
61.98832	9.3
69.60379	1.7
69.60777	0.5
71.01385	12.4
72.99284	0.7
73.02959	1.9
75.00854	0.5
80.28136	0.3
83.01391	1.2
83.05023	0.3
85.02957	3.9
86.03287	0.3
86.81570	0.2
87.00877	0.8
89.02454	9.1
93.03455	0.6
95.01402	0.9
97.02943	0.4
99.00900	0.9
101.02455	7.4
111.00880	0.3
113.02457	4.0
114.02792	0.4
119.03518	3.6
121.02969	100.0
121.05042	2.5
122.03294	3.3
123.04575	0.5
123.08157	0.4
129.01978	0.3
135.04543	7.9
136.04883	0.4
137.02478	0.4
137.09683	0.3
138.06889	0.4
139.07828	0.3
143.03496	0.8
147.04607	0.3
149.02475	2.0
149.04512	0.3
151.07616	0.4
151.11362	0.4
152.08414	1.2
153.09169	1.1
154.09546	0.4
159.03072	0.4
161.02452	0.6
161.04599	2.4
162.02753	0.3
163.04045	0.9
163.11308	0.6
164.04802	2.0
175.00368	0.3
179.05655	0.7
179.07146	0.5
181.07199	0.8
189.12895	0.5
190.02748	1.4
195.05138	0.7
195.10344	0.3
205.05060	1.3
205.12364	0.3
206.12695	0.3
207.13971	0.3
209.04614	0.3
223.06085	3.8
225.04071	0.9
225.14941	0.8
239.05637	0.3
239.09283	0.8
251.50317	0.2
265.09320	1.0
324.67557	0.3
387.12247	1.5
387.16373	1.5
387.20480	6.9
388.12650	0.3
388.20596	0.9
396.30237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77486	0.2
55.01885	0.2
57.03442	0.7
59.01098	0.4
59.01379	5.3
60.40347	0.2
61.98830	100.0
67.80583	0.2
69.42733	0.2
69.42961	1.0
69.43377	0.8
71.01386	4.4
72.99321	0.5
73.02950	1.0
73.32934	0.2
73.89227	0.2
75.00867	0.2
83.01408	0.5
85.02966	1.7
87.00891	0.3
89.02453	3.0
93.03490	0.6
93.53248	0.2
94.03820	0.2
95.01393	0.3
97.02943	0.2
99.00900	0.2
101.02451	3.0
109.02972	0.2
113.02460	2.1
117.03500	0.3
119.03534	1.2
119.05031	0.4
121.02967	0.3
123.08166	0.2
125.02469	0.7
134.03754	0.6
137.02513	1.3
138.02817	0.7
145.02982	1.1
147.88237	0.2
150.03238	0.3
151.11267	0.3
159.02948	0.3
161.04590	2.0
163.04065	0.7
165.01987	0.4
176.07959	0.2
177.04047	0.4
177.99104	0.8
179.05643	0.5
179.10777	1.2
180.11169	0.7
191.05594	0.2
206.12668	0.4
223.09680	0.3
225.04063	0.7
225.15018	0.6
302.64551	0.2
323.07770	1.1
368.12271	0.4
386.15698	1.5
387.10309	0.3
387.20029	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.83948	0.3
55.01875	2.5
57.03445	2.9
58.00594	2.5
59.01376	56.7
60.01712	1.1
62.50245	0.3
69.03468	0.7
69.44109	0.2
69.50187	1.1
69.50612	1.6
71.01383	68.7
72.01714	1.2
72.99298	2.8
73.02948	11.7
75.00878	1.0
81.03464	0.4
83.01389	4.6
83.05042	0.8
85.02958	20.5
86.03324	0.4
87.00885	2.4
87.03970	0.3
89.02450	31.2
90.02792	0.4
92.66507	0.3
93.03461	0.6
95.01390	5.3
95.05025	2.0
97.02958	4.8
97.06598	0.6
99.00896	4.8
99.04557	0.4
101.02452	33.1
102.02802	0.9
105.07130	1.0
105.59728	0.3
107.05045	0.8
108.05832	2.6
109.02978	1.1
109.06611	1.9
111.04535	1.0
111.08211	0.4
113.02458	28.4
113.06100	3.6
114.02795	1.0
119.03517	10.3
121.06648	0.4
122.03751	1.4
123.04534	0.4
123.08173	4.0
125.02432	0.9
125.06108	3.3
129.01956	0.8
131.03526	1.2
132.15416	0.3
133.02921	0.5
134.03812	0.4
135.04526	0.5
135.08167	0.6
136.05316	3.5
137.02454	1.2
137.06085	1.2
138.06880	21.5
139.07686	9.1
140.08035	0.4
143.03513	2.9
147.08174	0.7
149.02519	0.3
149.04559	1.1
149.06100	0.9
151.02275	0.6
151.04085	0.5
151.07660	21.5
152.04916	2.4
152.08447	46.4
153.09225	100.0
154.09567	5.2
159.03004	4.8
161.02618	1.9
161.04570	22.0
161.09685	0.9
162.04866	0.5
163.03979	0.6
163.11282	3.9
165.09247	1.8
167.07156	1.3
174.01703	0.4
175.07602	0.4
177.01845	0.4
177.04036	0.9
178.06299	0.3
179.03523	0.9
179.05666	3.3
179.10751	0.5
187.11356	0.9
189.01878	0.3
189.09254	0.5
190.02722	0.4
190.09962	1.5
205.05136	0.6
205.12331	30.2
206.12634	2.5
223.06155	0.5
223.13385	18.8
224.13678	1.5
229.12424	0.4
233.10344	0.3
235.52525	0.3
239.00195	0.6
239.05560	0.8
271.04648	0.3
295.08191	0.7
341.06659	1.2
385.06802	0.6
385.11359	2.4
385.18674	12.6
386.19034	1.7
386.23346	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	1.6
56.99795	0.2
57.03445	2.6
58.00592	4.1
59.01376	100.0
60.01713	1.3
61.15514	0.2
61.98829	9.2
69.03457	0.7
69.72118	0.7
69.72553	0.6
71.01382	70.4
72.01717	1.2
72.99308	4.7
73.02950	5.2
75.00890	0.5
81.03465	0.4
83.01389	3.7
83.05035	0.3
84.02159	0.3
85.02955	14.7
86.03317	0.4
87.00883	4.1
89.02449	83.3
90.02774	1.2
93.03477	1.3
95.01392	5.0
95.05054	0.4
97.02967	0.7
99.00893	2.0
99.04546	0.5
100.03949	0.2
101.02451	42.4
102.02801	0.8
107.03522	0.2
107.05053	0.6
109.06599	0.3
113.02457	29.7
114.02814	0.7
115.04002	0.3
119.03514	38.5
120.03891	0.8
121.02971	3.6
121.06609	0.3
123.08183	2.4
125.02439	1.3
125.09746	0.7
129.01895	0.3
131.03505	4.7
133.02898	0.2
135.04544	2.6
135.08168	1.3
137.02461	3.5
137.09753	0.5
140.04019	0.2
143.03517	6.3
147.08153	1.6
149.04555	2.9
149.95010	0.2
150.03271	0.4
153.09225	12.7
154.09596	0.7
159.02992	1.1
161.02441	0.6
161.04568	8.6
161.09688	0.5
163.04053	0.6
163.11302	0.5
165.01956	0.5
165.09235	0.8
171.08232	0.4
173.06126	0.2
175.07649	0.3
177.01898	0.3
177.12863	0.6
179.05614	15.9
179.10783	0.4
180.05959	0.6
187.11264	2.4
188.08466	0.3
188.11621	0.2
189.02043	0.3
189.09210	0.4
190.02783	0.3
190.10039	0.7
193.74695	0.2
203.10831	0.4
205.12329	13.8
206.12698	1.0
217.01517	0.2
223.13383	3.1
223.15349	0.3
265.66983	0.2
341.06772	0.5
385.11023	0.6
385.14883	2.0
385.18845	16.1
386.15387	0.3
386.19180	2.0
388.27682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97895	1.3
52.66841	1.2
57.03446	8.9
59.01376	11.6
69.03461	2.7
69.37962	13.4
71.01369	1.2
77.03969	1.7
81.03461	5.5
83.01388	10.8
93.03474	2.0
94.99837	1.3
95.01393	1.7
95.05041	3.9
97.02971	6.4
99.04534	4.2
107.05008	1.5
108.02210	1.7
109.02948	9.3
121.02962	3.9
122.03754	5.7
123.04549	3.2
124.01692	2.3
125.02464	65.2
126.02765	1.9
135.04523	2.8
137.02461	100.0
138.02838	3.2
139.04041	3.1
145.06543	1.8
146.03732	15.8
147.04462	2.6
148.76250	1.5
149.02444	2.5
149.06134	3.9
150.03229	11.5
151.04016	4.2
158.03783	2.1
159.04585	5.0
161.02516	1.9
161.06075	2.2
163.00385	1.9
163.07680	2.3
164.01169	21.9
165.01944	66.0
166.02364	2.7
167.03519	26.4
172.05345	7.5
173.06090	11.6
174.03239	9.1
174.06812	3.9
175.04057	6.4
175.07664	34.4
175.09183	2.0
176.04793	9.7
176.08121	2.1
177.01935	9.4
177.09193	1.8
179.03502	17.5
179.10793	2.7
181.05013	1.7
185.06136	2.2
186.06805	2.0
187.04066	2.8
187.07605	6.4
188.04762	3.8
188.08090	2.1
189.09174	4.3
190.02815	4.4
190.06287	2.1
191.03505	2.3
191.06981	1.6
199.07664	1.9
200.04811	5.7
200.08365	2.1
200.95898	1.6
201.05534	4.8
201.09248	11.5
202.06148	3.0
203.07152	15.9
204.04277	1.7
204.07536	1.5
205.08696	5.9
211.03967	1.8
211.07663	2.7
212.04747	2.2
213.09135	2.1
214.06516	1.4
215.07027	2.1
217.08688	16.4
223.07808	2.1
225.05475	1.8
226.06276	2.0
227.07120	3.2
229.08708	27.9
230.09021	1.7
239.07001	3.9
239.10742	2.2
241.08678	3.7
244.07372	2.7
247.09795	18.3
254.06012	1.6
254.09413	1.5
255.10312	3.3
257.11887	2.4
268.07446	3.0
270.08847	2.1
279.10132	2.1
281.11865	8.5
283.09732	4.5
288.06430	4.1
294.09042	3.2
297.11261	5.1
299.12735	7.9
301.10791	1.9
305.11752	1.6
323.12817	27.7
324.13171	1.9
341.10214	1.8
341.13998	3.7
349.10800	2.6
367.11844	57.2
368.12189	7.9
385.12909	50.3
386.13129	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	385.1292
Annotation	Comazaphilone D
Peak:m/z	Relative Intensity
55.98920	0.5
57.03437	1.8
59.01392	1.0
65.03955	0.7
69.03441	3.5
70.74440	1.5
71.52924	0.5
77.03944	0.6
83.01385	12.1
93.03465	4.2
95.01392	1.0
95.05048	0.8
97.02975	1.8
99.04537	0.6
107.05038	1.4
108.02209	1.3
109.02953	7.8
121.02972	6.0
122.03757	13.3
124.01665	3.0
125.02468	14.4
126.02785	0.6
126.19054	0.5
130.92221	0.5
135.04567	0.6
136.01668	0.8
136.30780	0.6
137.02461	100.0
138.03194	4.8
139.04025	1.4
149.02457	4.3
150.03250	10.2
151.04092	3.1
154.02737	2.9
159.04562	2.0
161.02472	2.8
164.01158	8.2
165.01950	81.2
166.02423	4.7
167.03520	1.8
169.06635	0.6
171.04552	0.6
172.05365	0.8
173.06055	1.1
175.03998	1.6
179.03519	7.5
183.04510	0.9
191.10402	0.5
197.06120	1.1
199.04131	0.7
201.05591	3.7
201.09291	0.9
202.06418	0.6
203.03450	1.2
213.05574	0.6
215.07170	1.2
219.06638	0.9
220.07375	0.7
225.05539	1.3
226.06329	1.1
229.08716	0.6
241.05083	1.4
243.06586	1.3
244.07507	1.0
245.04486	0.6
259.06113	2.1
269.04507	3.4
270.05292	2.0
287.02576	0.9
287.05582	7.7
288.06375	28.2
289.06741	2.4
323.12790	0.5
329.60626	0.5
341.10150	0.5
367.12106	1.2
385.12927	22.9
386.13248	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	385.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.3
59.01369	4.1
68.25494	1.6
69.03448	3.4
69.35110	17.0
81.03456	7.5
83.01384	9.9
93.03458	5.9
95.05032	7.8
97.02945	11.4
98.19875	3.2
99.04527	5.5
108.02197	2.1
109.02948	9.6
121.02938	5.5
122.03737	4.8
123.04525	3.5
124.01653	4.0
125.02458	67.9
126.02769	1.9
130.00121	1.7
131.05032	3.4
133.02962	2.5
135.04538	3.0
137.02460	100.0
138.02939	2.2
139.03975	3.9
146.03755	18.7
147.04591	2.3
148.58080	1.6
149.06128	4.4
150.03229	3.7
151.04001	6.7
151.71219	1.6
157.06499	2.0
158.03831	2.5
159.04488	7.7
160.05365	2.0
160.76840	1.8
164.01161	29.0
165.01939	78.5
166.02255	3.5
167.03502	37.6
169.45740	1.8
172.05280	6.4
173.06068	16.4
173.31415	1.8
174.03194	9.0
174.06834	8.0
175.04001	3.8
175.07655	42.3
176.04836	9.3
177.01953	14.8
179.03506	21.1
183.96100	1.8
185.06024	3.9
186.06853	2.0
187.04030	3.7
187.07646	7.9
188.04834	3.2
189.09145	5.5
190.02789	3.4
191.03423	2.6
199.07663	2.8
200.04756	8.4
200.08476	2.1
201.05493	6.4
201.09219	10.6
202.06380	5.0
203.07149	15.8
204.04225	3.5
205.08661	9.3
211.07678	1.7
214.06352	2.5
215.07172	2.5
217.08704	20.2
218.09093	2.0
225.05533	4.2
226.06386	3.3
227.07072	2.4
229.08673	35.8
239.07060	2.9
239.10753	4.4
241.08691	6.4
244.07375	2.8
247.09764	13.5
251.07094	3.4
255.10211	4.2
257.11868	6.6
265.08527	2.6
268.07428	2.8
270.08755	2.8
281.11859	9.7
283.09750	6.9
284.10284	1.8
294.08881	3.8
295.09659	1.8
297.11270	6.0
299.12915	7.4
301.10593	2.0
323.12915	31.2
324.13168	5.0
341.10199	2.9
341.14108	3.7
349.10742	4.3
358.60068	1.9
367.11862	74.9
368.12070	9.7
385.12936	42.9
386.13278	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
57.03445	3.6
58.00580	1.5
59.01377	27.7
61.98838	3.6
63.89207	0.5
67.01875	1.3
68.99801	2.3
69.03442	1.6
69.37720	4.3
71.01382	32.9
72.99314	5.1
73.02939	3.0
75.00465	0.9
75.00874	17.0
83.01389	2.1
84.02175	0.6
85.02953	30.2
86.03264	1.1
87.00876	10.1
89.01924	1.0
89.02449	13.9
91.04002	0.7
91.05534	19.9
92.05849	1.1
93.03457	1.5
95.01386	6.6
97.02940	0.9
99.00262	0.9
99.00889	12.4
101.02450	7.4
102.64600	0.5
103.00349	2.3
103.03998	0.8
109.02932	0.6
111.00859	1.4
111.04539	0.6
113.02459	37.8
114.02753	1.7
115.00379	1.9
117.01974	4.2
117.03456	4.2
119.03536	2.6
119.05029	0.6
129.01964	3.1
131.03474	1.1
135.04538	10.5
137.02431	0.7
149.04420	0.7
153.09244	0.8
157.01376	1.1
161.04639	2.7
174.01727	0.6
175.02460	2.7
175.07588	0.6
176.27226	0.5
179.05533	0.9
179.10799	0.8
195.61604	0.6
198.38914	0.5
205.07224	1.6
205.12332	1.9
207.05037	1.3
223.13277	0.8
224.73990	0.5
231.05078	1.9
249.06139	38.2
250.06442	1.8
267.07175	100.0
268.07523	7.0
269.74374	0.6
284.00406	0.6
325.09024	0.6
385.11389	44.4
385.19080	1.5
386.11707	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	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03440	3.8
57.48333	0.7
59.01097	1.5
59.01374	21.6
61.98822	1.3
67.01899	0.9
68.99811	1.6
69.44075	5.2
71.01377	25.3
72.99304	4.0
73.02936	1.7
75.00873	17.9
75.38296	0.7
78.61716	0.8
81.03448	1.0
83.01385	1.4
83.05016	0.9
85.02953	25.5
85.68707	0.8
87.00883	9.2
89.02453	8.5
91.04027	1.0
91.05539	24.1
94.49725	0.7
95.01380	6.0
96.90545	0.8
97.02929	0.9
99.00882	9.0
99.04556	0.8
101.02432	1.6
103.00368	2.3
113.02451	38.3
114.02768	1.7
115.00355	2.4
116.85588	0.7
117.01952	3.2
117.03473	5.4
127.01649	0.8
129.01920	1.6
135.04529	10.8
175.02460	2.3
189.04028	0.9
196.56015	0.8
199.33510	0.7
205.07214	1.8
205.90067	0.7
223.08185	0.9
231.05029	2.2
249.06120	33.9
250.06432	2.5
267.07178	100.0
268.07541	4.0
351.84567	0.9
385.11365	47.2
386.11874	5.1
395.62167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.46913	0.5
55.01875	1.1
57.03448	1.2
59.01376	9.9
69.50909	2.3
69.51337	2.3
71.01381	9.0
72.99319	1.6
73.02956	1.7
75.00871	3.1
83.01385	1.2
85.02956	8.2
87.00876	2.1
89.02465	3.5
91.05553	1.5
91.07304	0.5
92.97052	0.5
93.03483	0.9
95.01411	1.8
99.00885	2.1
101.02448	5.8
109.61297	0.5
113.02470	9.8
117.03491	2.0
119.01438	0.9
119.03518	1.1
120.07861	0.6
121.02980	1.5
132.02213	1.0
133.02980	25.8
134.03473	0.9
135.04550	7.2
136.01643	0.6
137.02486	2.0
139.04002	0.7
149.02463	12.6
150.02823	0.7
152.01163	1.7
155.12665	0.6
161.02463	100.0
162.02786	5.7
163.04039	1.2
164.04822	11.8
165.02008	0.9
165.05193	0.9
167.03453	0.8
169.05151	1.4
175.00383	6.1
176.00693	0.7
179.03534	3.6
179.07137	4.3
190.02736	19.4
191.03046	0.9
193.01427	6.1
194.01805	0.6
205.05064	27.0
206.05496	1.6
208.03778	13.3
209.04240	0.7
223.06120	38.2
224.06505	2.5
247.06125	1.7
249.06129	1.9
265.07285	1.0
267.04288	1.2
267.07169	21.4
268.07513	1.4
304.04852	0.6
385.11395	73.9
386.11725	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	385.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03443	13.6
59.01373	9.8
61.98823	13.0
68.99825	1.0
70.73812	1.3
71.01378	4.1
72.99322	1.9
73.02957	1.0
75.00865	1.8
83.01394	3.0
84.02159	2.7
85.02951	100.0
86.03294	2.2
87.00887	1.6
88.98808	0.7
89.02435	1.6
93.03474	1.7
96.96946	0.8
99.00883	0.9
101.02456	1.7
103.00374	1.3
104.42518	0.5
111.00887	3.4
113.02487	0.6
115.00355	1.2
117.03481	0.5
119.05031	2.7
121.02971	1.7
129.01944	7.9
134.03772	3.4
135.04553	0.8
136.07635	0.5
137.02463	1.4
139.03969	0.5
145.89508	0.4
147.03011	14.0
149.02443	10.2
151.04022	0.6
152.01154	0.6
161.02431	0.6
161.04631	0.5
163.04033	5.5
164.04794	10.3
165.02000	0.8
165.05194	0.8
169.05107	0.6
173.00902	2.1
173.04509	0.6
174.01643	3.0
175.02443	0.5
175.03969	0.5
179.03493	0.8
179.07101	4.3
189.01880	0.8
191.01974	31.1
191.05482	2.3
192.02373	1.5
193.01323	2.5
193.05092	2.3
208.03773	5.2
209.02991	12.2
223.06108	20.1
224.06422	1.7
231.53625	0.5
306.94116	0.5
325.09122	1.1
344.77518	0.5
385.07816	1.0
385.11572	8.7
386.11334	0.9
405.92920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.4
61.98833	1.8
63.48505	0.5
69.91969	2.6
71.57887	0.4
73.12442	0.5
80.52284	0.4
85.02951	3.5
93.03445	1.1
95.01508	0.5
101.02445	0.5
119.05041	93.5
120.05379	4.9
147.03000	0.5
149.02475	2.1
163.04024	100.0
164.04398	5.9
174.01663	0.5
179.07208	0.9
189.01756	0.5
191.02063	1.0
193.01456	0.5
205.04976	0.7
208.03822	1.0
223.06110	4.6
325.09204	1.6
341.06699	0.6
385.11508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.3
57.03461	3.6
58.00591	5.2
59.01377	100.0
60.01709	1.1
60.99289	1.2
61.98828	10.5
66.22023	0.5
69.03453	0.6
71.01383	72.8
71.65314	0.6
71.65689	0.7
72.01715	1.4
72.99310	7.8
73.02953	5.8
75.00877	1.2
81.95468	0.6
83.01373	3.0
83.05050	0.7
84.02185	0.5
85.02958	15.9
86.03309	0.5
87.00875	5.5
88.98822	6.4
89.02451	90.2
89.99155	1.4
90.02784	1.6
93.03471	1.5
95.01395	5.1
95.05020	1.1
97.02956	1.1
99.00893	1.7
101.02452	43.6
102.02774	0.6
103.05498	0.6
105.03463	0.9
107.05041	0.8
109.02958	15.4
110.03297	0.6
113.02461	29.4
115.03980	0.6
117.03433	0.6
119.03515	38.5
119.04967	1.7
120.03819	1.4
121.02962	1.8
121.06607	0.8
122.03746	0.6
123.04530	9.6
123.08194	3.2
125.02451	2.4
125.09767	0.9
129.01923	0.7
131.03525	4.1
133.02972	3.3
134.03737	1.5
135.04538	0.9
135.08203	1.2
137.02452	2.3
138.06763	0.6
143.03532	6.2
145.02940	1.4
147.04474	2.2
147.08131	1.9
149.02440	3.6
149.04526	2.6
149.06023	0.6
150.03157	0.5
151.02876	0.5
151.04022	6.7
153.09233	12.5
154.09583	0.8
159.02995	1.1
159.04485	1.7
161.02464	2.4
161.04573	10.2
161.09679	0.9
162.03166	1.9
162.04759	0.6
163.04015	2.4
163.11243	0.8
164.04723	1.7
165.09138	1.0
173.02461	0.6
174.01627	1.1
175.00372	1.2
175.03915	0.7
175.07683	0.6
176.01082	0.9
176.04631	0.6
176.08502	0.6
177.01936	22.5
178.02222	0.8
179.03387	0.7
179.05637	16.6
179.07072	1.2
180.05994	0.6
187.04044	3.3
187.10057	0.5
187.11317	6.0
188.04710	2.2
189.01941	25.7
189.05484	1.0
189.09155	1.2
190.02692	11.1
190.09932	1.3
191.03525	3.1
195.05238	0.6
203.03406	0.6
203.10774	0.8
204.11551	0.8
205.05095	2.5
205.12340	17.6
206.05792	1.2
206.12617	1.1
208.03625	0.9
215.45496	0.6
216.00627	6.3
217.01369	8.0
218.02054	2.1
219.02969	4.6
220.03476	0.5
221.08115	1.6
222.01613	1.8
223.06087	3.4
223.13292	2.2
227.07014	2.0
229.08600	2.0
231.03006	2.8
232.03627	1.4
233.11737	2.2
253.04865	0.9
259.13257	0.7
265.04596	0.7
265.07095	3.0
269.08023	1.0
277.14264	1.7
279.06546	0.6
281.01715	0.6
281.04514	9.3
282.04974	1.5
295.08102	1.5
297.07684	6.5
298.08017	0.6
325.09299	3.5
341.06662	55.1
342.06931	7.3
385.05386	5.8
385.10913	2.8
385.18729	5.7
386.05801	0.9
386.18607	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62877	0.7
55.01888	0.7
57.03449	1.2
58.00589	2.1
59.01377	46.2
60.01718	0.8
60.99301	11.9
61.98831	26.1
68.02413	0.6
68.99775	0.8
69.33574	5.5
69.33990	1.6
71.01386	33.6
72.99309	1.8
73.02937	4.1
75.00874	3.5
83.01385	1.8
85.02956	9.7
87.00888	4.8
88.00390	0.8
88.98812	100.0
89.02451	54.2
93.03465	1.3
95.01385	1.8
99.00890	0.9
101.02452	22.2
109.02986	4.9
113.02462	15.9
119.03516	16.3
119.05006	1.5
121.02950	1.7
123.04549	3.8
125.02484	1.6
131.03484	1.9
133.02992	1.1
135.04536	0.7
137.02448	2.3
143.03546	3.1
145.02986	1.7
146.03290	0.9
147.04468	0.9
149.02495	5.3
149.04572	1.3
149.99507	0.9
150.02808	2.0
151.04024	1.8
152.01186	0.8
153.09253	6.3
155.10753	1.0
161.02487	1.4
161.04578	4.7
161.09740	0.8
162.03050	1.2
163.04041	1.8
163.11371	0.7
164.04814	4.3
169.93024	0.6
173.04543	0.8
175.00397	0.8
177.01961	7.8
177.03465	1.0
177.05495	0.8
178.97305	0.7
179.05638	7.8
179.07147	1.9
179.10718	0.7
187.04042	1.2
187.11269	3.3
189.01950	7.1
189.09387	0.7
190.02725	7.7
190.09972	0.9
191.03551	2.1
191.05518	1.1
193.01526	1.1
203.03717	0.7
203.10927	0.7
204.11591	0.8
205.05112	4.8
205.12338	9.4
206.05789	1.4
208.03716	1.3
209.23624	0.7
216.00673	2.3
217.01466	2.1
218.02351	0.9
219.02916	1.6
221.08228	1.8
223.06090	6.2
223.13406	1.4
231.03035	0.9
233.11870	1.5
237.06125	1.9
238.06543	2.3
250.04958	0.8
259.08151	1.7
265.07224	4.2
281.04602	2.5
284.33871	0.6
285.04080	0.8
295.08298	3.8
297.07663	2.1
325.09247	6.2
341.06647	17.5
384.10489	2.7
385.06061	2.0
385.11594	2.8
385.18585	3.7
407.24667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
56.06682	0.2
57.03449	0.5
58.00598	0.3
59.01377	7.9
61.98829	5.8
69.91116	0.6
69.91532	0.9
71.01384	4.8
71.22533	0.2
72.99343	0.3
73.02941	1.8
75.00883	0.5
81.26324	0.2
81.53249	0.3
82.03909	0.2
83.01395	0.9
85.02955	2.2
87.00876	0.4
89.02478	1.1
93.03452	0.4
95.01416	0.3
98.20571	0.3
99.00879	0.7
101.02456	4.4
109.02926	0.3
113.02474	2.1
117.03481	22.0
118.03847	0.7
119.05032	5.0
121.02985	0.3
125.02499	0.3
125.06117	0.7
129.01926	0.3
131.03465	0.2
135.04582	0.3
137.02452	0.7
145.02971	100.0
146.03316	5.9
149.02379	0.3
152.01152	0.3
161.04591	1.1
163.04030	7.5
163.05391	0.4
163.11340	0.4
189.01917	0.3
203.03397	0.2
203.10742	1.5
221.08337	0.4
221.11821	2.5
237.09828	0.3
320.14383	0.4
341.10794	0.4
383.13440	47.7
384.13776	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	383.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71233	0.4
55.01865	1.1
57.03445	1.1
59.01374	100.0
60.01711	1.2
61.98829	7.4
63.54126	0.4
71.01380	9.9
71.58878	0.6
71.59258	0.6
72.99329	0.6
73.02940	3.8
75.00892	0.9
83.01396	2.7
85.02949	4.5
87.00885	1.7
89.02438	3.1
93.03474	1.7
95.01385	0.8
99.00879	1.6
101.02443	7.9
109.03008	0.6
109.31641	0.4
110.41025	0.4
113.02460	4.5
117.03474	20.0
118.03790	0.7
119.03542	0.7
119.05030	4.6
121.06638	0.4
125.02464	0.9
125.06113	1.2
129.01947	0.8
133.02980	0.6
137.02454	3.2
137.09763	1.0
143.03534	0.6
145.02962	89.9
146.03307	4.7
155.10793	0.7
159.02980	0.9
161.02480	0.8
161.04599	3.6
163.04018	6.3
163.11313	1.4
170.00839	0.4
177.04097	0.5
177.05623	0.4
187.07661	0.5
203.10797	3.2
212.41963	0.4
221.08426	0.8
221.11806	3.4
259.08295	0.6
303.18048	0.4
323.09973	0.5
323.17163	3.4
341.10880	1.0
365.16113	0.5
381.74951	0.4
383.13440	41.9
384.14059	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	383.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55177	0.5
57.03429	0.8
59.01367	0.9
61.98817	1.2
69.73001	3.3
85.37234	0.6
98.95586	0.7
167.61136	0.6
293.28473	0.8
321.31625	58.7
322.31915	7.8
339.32489	1.7
365.30588	16.0
366.30948	2.3
383.31662	100.0
384.31998	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	383.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84165	0.2
55.01882	0.5
57.03440	0.4
59.01379	3.8
61.98827	1.3
66.63727	0.2
69.70999	1.2
71.01382	3.6
72.99310	0.2
73.02946	1.2
75.00885	0.4
78.91904	0.4
81.73266	0.2
83.01397	0.9
85.02959	2.3
87.00887	0.3
89.02465	0.8
89.03994	0.2
93.03448	0.7
95.01397	0.4
99.00893	0.7
101.02453	3.3
107.43360	0.2
113.02477	1.3
117.03480	22.7
118.03822	1.4
119.05042	5.3
120.05387	0.2
121.02977	0.4
125.02478	0.4
129.40968	0.2
137.02480	1.0
145.02975	100.0
146.03313	5.8
159.03041	0.2
161.02512	0.4
161.04601	0.4
163.04037	8.0
164.04369	0.3
171.86043	0.2
193.59515	0.2
221.08105	0.2
237.09802	0.2
240.97762	0.2
275.32849	0.2
383.13486	46.5
384.13791	6.1
384.18741	0.3
403.03796	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.33776	0.6
57.03437	1.5
59.01097	0.9
59.01377	15.2
61.98837	5.9
68.99803	0.7
69.03436	0.9
69.77789	4.0
71.01389	13.9
71.05018	2.3
72.99310	1.5
73.02958	3.7
73.03284	0.6
82.11826	0.5
83.01393	1.8
83.05027	1.6
85.02957	6.8
87.00893	1.2
89.02447	5.8
93.03467	28.7
94.03812	0.9
95.01406	2.6
96.99355	0.9
99.00888	1.9
101.02448	11.5
101.06100	3.3
107.38779	0.6
108.02167	1.9
113.02470	4.7
117.03464	0.6
118.98192	0.6
119.03506	1.7
121.02966	2.0
125.02419	0.7
128.17004	0.6
133.02934	0.8
135.04562	0.7
136.01654	5.2
137.02458	58.9
138.02826	1.9
145.02963	3.7
154.81630	0.7
161.02455	0.8
161.04594	1.1
163.04089	0.6
179.03554	5.1
191.03497	0.9
203.10796	6.3
209.04485	0.8
221.04703	0.9
221.11798	0.9
239.05614	2.8
281.06696	1.5
352.85260	0.8
383.13480	100.0
384.13773	11.1
393.92236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12796	0.2
55.01877	0.4
57.03456	0.3
59.01379	6.6
61.98826	2.7
71.01382	3.4
71.90345	0.2
72.99316	0.3
73.02951	1.4
75.00862	0.3
75.44260	0.2
83.01391	0.9
85.02953	2.6
87.00894	0.6
89.02454	0.7
93.03491	1.1
95.01405	0.5
99.00869	0.8
101.02444	3.6
107.03530	0.2
113.02461	1.5
117.03474	23.8
118.03788	0.9
119.03578	0.3
119.05037	5.0
121.02988	0.3
125.02455	0.4
131.03546	0.3
137.02422	2.2
145.02963	100.0
146.03308	5.0
159.02925	0.5
161.04561	0.7
163.04024	8.0
164.04361	0.4
171.73451	0.2
205.04886	0.2
221.08105	0.4
242.34380	0.2
290.69379	0.2
383.13452	51.2
384.13742	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	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03432	5.0
58.00582	1.4
59.01376	100.0
60.01738	1.7
60.99291	2.3
61.98824	30.8
68.99806	2.3
69.33352	14.1
71.01379	31.2
72.99316	6.9
73.02937	13.6
74.94080	1.5
75.00861	2.8
83.01396	6.6
85.02959	11.2
87.00874	12.1
87.04489	2.9
88.98816	13.9
89.02449	21.6
93.03445	1.7
95.01391	3.3
99.00899	13.5
101.02448	17.9
101.06098	1.3
103.03996	3.3
111.00883	5.9
112.98815	37.3
113.02457	12.4
114.82586	1.4
115.00387	2.5
118.36169	1.3
119.03513	8.6
119.05078	3.0
121.02983	4.0
123.00874	7.8
125.02468	2.6
127.00318	1.9
129.01910	4.5
131.03539	1.3
133.06549	2.3
135.04535	8.6
137.02440	2.3
138.03232	3.0
142.99869	2.0
143.03497	1.3
145.01385	2.1
145.02913	2.4
147.04550	3.3
147.06630	5.2
149.02498	7.4
149.04622	1.5
150.03204	2.7
151.03964	2.7
151.93185	1.2
153.05609	1.9
159.03081	1.8
159.04419	2.6
161.02464	26.3
161.04495	11.4
162.02985	1.8
163.04015	40.1
164.04823	21.7
165.02043	1.4
165.05544	5.7
166.06282	1.8
173.00880	8.6
173.02385	4.3
174.01617	2.5
175.03989	8.7
176.01143	4.0
176.04779	14.0
177.01904	5.1
177.05522	4.4
178.02771	1.6
178.06369	30.8
179.03526	11.9
179.05597	5.4
179.07118	29.5
181.05000	1.6
187.04076	1.8
188.04803	1.9
189.01953	3.4
190.02695	4.4
191.03473	29.2
191.05495	3.8
191.07050	9.0
192.04077	3.0
193.05075	11.1
193.08636	5.6
194.05766	5.8
195.06436	1.9
202.02637	1.6
203.03540	8.9
203.10815	1.4
204.04283	2.6
205.01456	2.0
205.05060	11.6
206.05841	11.1
207.02878	1.7
207.06583	4.8
208.07361	1.9
209.08182	7.8
217.01428	1.7
218.05815	3.9
219.02960	8.7
220.03633	2.1
221.04590	8.2
221.08170	10.9
222.05229	2.0
223.05957	2.2
223.09790	1.8
229.01518	2.1
233.08061	2.8
234.05302	4.2
235.06046	2.2
236.06787	2.4
237.07690	5.2
238.04755	3.5
247.02455	9.5
247.06017	4.4
249.07590	6.7
250.04768	2.0
251.09221	5.6
262.04800	13.5
265.07144	79.7
266.07440	6.2
270.98380	1.5
277.07135	40.1
278.07401	3.4
279.08762	2.6
293.12466	1.8
295.08206	62.4
296.08481	5.3
323.17078	46.6
324.17459	3.1
325.09241	1.7
337.09109	2.1
355.10132	5.2
383.10022	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	382.1005
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
50.54437	0.2
52.61698	0.4
55.01899	0.3
56.58679	0.3
57.03458	0.3
57.28073	0.3
59.01380	12.5
60.01718	0.4
61.98831	36.4
63.70783	0.3
68.99786	0.3
71.01384	16.4
71.05038	0.3
71.64200	0.3
71.64654	0.4
72.99315	1.2
73.02953	2.9
75.00874	1.0
78.95915	0.7
83.01405	2.1
85.02956	2.5
87.00891	2.3
87.02746	1.3
87.04544	0.6
88.03102	0.4
88.98843	0.8
89.02453	6.9
92.02576	0.7
93.03490	0.7
95.01409	0.5
96.96999	0.8
98.02507	0.3
99.00887	1.0
100.00405	2.6
101.02451	5.7
101.61245	0.3
103.04013	0.8
107.03666	2.0
109.03044	0.3
113.02463	4.5
115.00386	15.3
116.00712	0.3
117.05581	2.1
119.03559	2.8
119.05018	2.3
119.79207	0.3
125.02469	0.6
131.03549	0.4
133.03944	0.7
133.06615	0.5
134.04747	100.0
135.05244	2.1
135.06754	0.8
137.02475	1.0
143.03529	1.0
145.03015	0.5
146.04695	0.4
155.45502	0.3
158.06078	0.4
159.03026	0.3
160.06265	0.5
161.02470	0.8
161.04555	1.7
162.07870	9.3
163.04031	0.8
163.08228	0.5
164.04796	0.3
166.05147	0.4
177.01871	0.5
179.04172	0.3
179.05594	1.9
184.06184	0.7
188.05809	1.0
191.05568	0.5
202.04961	0.4
206.06837	33.2
207.07172	1.5
220.06215	1.8
232.04762	0.8
250.05846	3.4
251.05960	0.4
251.11356	0.9
265.07080	0.5
266.08954	5.0
277.07147	0.5
285.06107	0.5
295.08279	1.2
322.11951	0.4
322.15875	0.7
323.09808	0.9
323.17108	1.0
340.40936	0.3
341.10913	5.9
382.10056	36.6
383.10309	4.5
383.15610	1.5
383.19684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.5
59.01376	15.3
60.01707	0.4
60.99298	0.3
61.98827	100.0
64.07703	0.2
69.45349	0.3
70.14288	0.3
70.14570	1.3
71.01384	5.9
72.99319	0.9
73.02938	1.7
74.02483	0.4
75.00885	1.1
78.95894	1.3
83.01414	0.8
85.02950	1.7
87.00882	1.6
87.04532	0.5
88.98814	0.5
89.02452	3.9
95.01421	0.4
96.96993	2.1
98.19934	0.4
99.00879	0.7
101.02444	4.1
101.06080	0.3
111.00879	0.5
112.98827	0.4
113.02452	2.3
115.00408	0.7
119.03497	1.3
119.05006	0.3
131.03441	0.3
133.02972	0.4
134.04735	3.4
135.04483	0.3
136.77434	0.2
137.02466	0.8
140.07220	0.4
146.08263	1.5
147.08606	0.3
148.08806	0.4
149.02408	0.3
151.04034	0.4
158.06114	0.5
159.03027	0.4
161.02458	0.9
161.04591	1.9
162.07896	0.3
163.04013	0.6
173.04633	0.3
177.01949	0.6
179.05615	0.5
183.52176	0.3
191.03625	0.3
191.05698	1.2
202.05098	0.3
203.05785	0.5
203.08372	0.4
206.06853	0.9
209.08270	0.3
214.53920	0.3
220.06284	0.2
221.04738	0.3
221.08142	0.3
251.11349	0.7
265.07141	1.0
277.07278	0.3
295.08096	0.5
322.15988	0.4
323.17090	8.1
341.10913	1.4
382.10687	1.0
382.16339	4.0
383.11493	0.5
383.16382	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03447	3.1
58.00595	0.9
59.01377	27.1
60.01695	0.3
61.77920	0.2
61.98835	3.0
67.01903	0.3
68.99799	0.4
69.03458	1.2
69.52781	2.1
71.01384	40.0
72.01734	0.8
72.99305	2.1
73.02949	19.4
74.03290	0.3
75.00877	1.1
78.95909	0.4
81.03465	0.4
83.01390	10.7
84.01695	0.3
85.02959	21.4
85.06606	0.6
86.00105	1.1
87.00891	2.4
87.08154	0.8
89.02452	6.8
93.03471	0.7
95.01403	3.2
95.05024	0.4
97.02967	1.7
99.00887	8.1
99.36752	0.3
101.02454	43.1
101.06089	5.1
102.02795	1.0
111.00889	1.6
113.02460	16.8
114.02815	0.9
115.04050	1.0
115.07665	2.9
119.03478	0.5
119.05047	0.3
123.04453	0.3
125.02459	2.5
129.01944	1.8
131.03508	1.9
135.06670	0.5
135.10129	0.3
136.04088	0.4
137.02420	0.4
139.04010	0.7
141.01886	0.5
141.04469	0.3
141.05525	0.4
143.03542	2.0
143.07143	0.4
145.02950	0.5
149.04631	0.9
152.99551	0.4
153.01923	0.3
155.82484	0.2
157.08730	0.5
158.28639	0.3
159.03004	4.0
161.04570	14.3
162.04935	0.6
164.03537	1.0
174.60159	0.3
177.01863	0.4
183.02992	1.2
191.05595	0.4
196.06158	1.0
203.07141	0.4
205.03580	1.0
233.06616	1.0
249.13419	100.0
250.13776	6.1
279.10794	0.7
293.12479	0.8
302.90060	0.3
310.77420	0.3
346.22391	0.3
381.17587	42.8
382.17908	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	379.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.8
58.00587	0.4
59.01374	100.0
60.01715	1.1
61.98830	1.5
69.32185	0.3
70.94009	0.7
71.01378	6.6
72.99320	0.6
73.02947	1.8
75.00843	0.4
82.03107	0.3
83.01407	1.0
83.05036	0.7
85.02538	0.4
85.02929	2.2
87.00886	0.8
89.02452	6.4
90.02857	0.3
93.03477	0.6
99.00909	0.6
101.02453	4.9
110.91260	0.3
111.08176	2.7
113.02450	3.0
119.03481	2.5
131.03513	0.4
143.03542	0.8
148.41357	0.3
149.04587	0.6
157.08784	0.5
158.06253	0.3
161.04584	2.4
173.08232	1.3
177.04106	0.4
179.05589	1.8
191.05643	0.5
217.05345	0.4
217.14362	0.4
282.07706	0.4
319.17636	6.9
320.18161	0.6
379.15616	3.6
379.20477	2.4
380.16449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1561
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01864	0.6
57.03432	0.5
58.00588	0.8
58.29163	0.3
59.01379	22.7
60.01707	0.5
61.98832	6.0
62.90139	0.3
63.99242	0.8
64.50561	0.3
70.89862	0.8
70.90199	0.4
71.01384	33.2
71.05015	5.1
72.00911	0.5
72.01717	0.8
72.99306	1.2
73.02949	2.0
75.00867	0.6
78.83157	0.3
78.95899	0.9
83.01395	1.1
85.02944	3.7
87.00887	0.8
88.04050	4.4
89.02453	10.2
90.27526	0.3
95.01398	1.1
96.96967	1.4
98.15224	0.3
99.00888	0.6
99.04526	1.9
101.02450	8.9
112.15382	0.3
113.02461	4.8
116.03537	0.6
116.07170	1.1
119.03526	3.6
126.09253	0.4
128.07198	2.5
129.05594	1.0
130.05939	0.7
131.01746	0.9
131.07147	0.5
146.08243	55.1
147.08572	2.1
159.02986	0.3
161.04576	1.8
174.11288	0.5
179.05568	0.4
193.70781	0.3
200.09319	1.1
218.10403	0.7
219.12476	0.5
246.12547	0.3
263.11365	1.0
308.13501	4.7
320.14304	1.8
321.15497	0.9
331.58411	0.4
362.14606	1.1
380.15649	100.0
381.16104	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	381.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23874	0.6
59.01102	0.9
59.01377	14.6
61.98529	1.5
61.98830	25.6
64.88260	0.6
66.94264	0.7
71.01389	8.1
71.60698	1.2
72.00889	2.0
72.04555	0.8
72.99261	1.2
73.02918	2.0
75.00881	1.8
78.95900	1.2
85.02943	2.8
87.00867	2.5
87.04507	1.5
89.02441	6.6
92.05057	2.2
93.61134	0.7
96.96001	0.9
96.96962	2.3
97.02979	0.7
100.04036	1.2
100.97335	0.6
101.02460	4.7
113.02442	2.8
115.04006	1.1
115.79221	0.6
116.05051	2.8
119.03495	2.6
128.05019	1.2
129.01939	0.9
130.08768	1.0
131.01762	1.0
131.03767	3.3
132.04573	7.9
134.04646	1.1
135.04485	1.1
137.02426	1.2
142.06639	1.9
143.03503	0.8
143.06079	0.8
144.04564	9.8
145.04031	0.9
145.05132	1.3
146.06114	0.9
154.06535	1.1
155.06154	1.1
156.06960	5.4
157.07698	5.1
158.04889	1.3
158.06087	3.4
159.05650	2.1
160.04051	9.5
161.04509	3.3
167.06148	11.1
168.06491	0.9
169.07733	5.2
170.06030	1.3
171.09280	7.9
172.03993	1.1
172.07547	0.8
173.07227	9.4
175.02711	1.9
176.03531	2.2
179.05801	1.4
181.07730	49.1
182.06133	2.6
182.08055	3.9
187.08749	2.1
188.05893	3.3
197.07265	4.1
199.08786	32.3
200.09137	2.0
201.06627	3.7
209.36691	0.7
213.06647	1.3
217.09831	3.7
218.10294	0.8
219.01576	0.9
219.07759	1.0
226.05046	4.6
243.07718	23.1
243.10197	1.1
244.08034	1.3
261.08771	100.0
262.09088	8.2
273.08792	2.1
291.09808	1.1
303.10760	1.6
306.92334	0.7
319.13028	1.4
321.11923	3.1
338.08890	1.1
343.12424	0.9
363.11893	4.3
381.08255	1.7
381.13107	25.9
381.17532	1.7
382.13470	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03447	3.1
58.00595	0.9
59.01377	27.1
60.01695	0.3
61.77920	0.2
61.98835	3.0
67.01903	0.3
68.99799	0.4
69.03458	1.2
69.52781	2.1
71.01384	40.0
72.01734	0.8
72.99305	2.1
73.02949	19.4
74.03290	0.3
75.00877	1.1
78.95909	0.4
81.03465	0.4
83.01390	10.7
84.01695	0.3
85.02959	21.4
85.06606	0.6
86.00105	1.1
87.00891	2.4
87.08154	0.8
89.02452	6.8
93.03471	0.7
95.01403	3.2
95.05024	0.4
97.02967	1.7
99.00887	8.1
99.36752	0.3
101.02454	43.1
101.06089	5.1
102.02795	1.0
111.00889	1.6
113.02460	16.8
114.02815	0.9
115.04050	1.0
115.07665	2.9
119.03478	0.5
119.05047	0.3
123.04453	0.3
125.02459	2.5
129.01944	1.8
131.03508	1.9
135.06670	0.5
135.10129	0.3
136.04088	0.4
137.02420	0.4
139.04010	0.7
141.01886	0.5
141.04469	0.3
141.05525	0.4
143.03542	2.0
143.07143	0.4
145.02950	0.5
149.04631	0.9
152.99551	0.4
153.01923	0.3
155.82484	0.2
157.08730	0.5
158.28639	0.3
159.03004	4.0
161.04570	14.3
162.04935	0.6
164.03537	1.0
174.60159	0.3
177.01863	0.4
183.02992	1.2
191.05595	0.4
196.06158	1.0
203.07141	0.4
205.03580	1.0
233.06616	1.0
249.13419	100.0
250.13776	6.1
279.10794	0.7
293.12479	0.8
302.90060	0.3
310.77420	0.3
346.22391	0.3
381.17587	42.8
382.17908	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	379.161
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01879	1.8
57.03445	1.6
58.00333	0.5
58.00584	3.3
59.01379	93.5
60.01709	1.0
61.98831	0.9
62.42271	0.6
68.96678	0.6
69.03460	1.1
71.01386	65.4
71.32057	0.5
72.01728	1.2
72.99307	3.9
73.02956	17.4
74.03282	0.6
75.00883	1.2
83.01379	3.6
85.02958	11.4
87.00881	3.3
88.54278	0.6
89.02451	100.0
90.02782	2.4
94.23423	0.6
95.01404	2.4
97.02975	2.3
97.06588	1.9
99.00893	16.0
101.02454	43.1
102.02775	0.7
105.83645	0.5
110.11149	0.6
113.02459	23.6
113.03246	1.1
114.02762	0.8
119.03521	23.7
125.02495	3.6
131.03523	17.4
132.33614	0.6
141.05588	2.3
143.03514	6.1
149.04579	43.1
153.09270	1.4
154.01411	1.3
161.04550	5.8
163.58102	0.5
171.10300	0.8
179.05635	16.1
180.06085	0.8
191.05664	10.1
215.09256	1.8
217.14474	0.6
221.06674	1.3
233.06680	1.2
247.11858	7.2
251.07684	2.2
293.08826	1.1
301.07227	2.2
331.11942	2.2
379.16089	44.8
380.16348	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	379.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39312	0.5
52.30369	0.6
55.01862	0.9
57.03453	1.5
59.01378	20.2
68.99815	1.2
69.03453	0.9
69.04816	0.6
69.32561	2.3
69.32993	3.9
71.01387	17.3
72.99294	3.3
73.02961	1.8
75.00877	13.7
83.01405	1.4
83.09707	0.6
85.02960	14.6
87.00884	6.7
89.02457	4.3
90.66627	0.5
93.03441	0.8
95.01389	3.8
99.00900	7.0
101.02444	4.0
101.05434	1.2
101.06092	19.6
103.00397	1.1
113.02457	18.5
113.06082	0.8
114.02782	0.7
115.00403	1.9
115.07662	38.5
116.07965	0.8
117.01966	2.1
117.03475	0.8
121.02981	0.6
123.04472	0.7
127.04076	0.6
129.01955	1.3
129.09233	78.3
130.09604	3.4
135.04475	0.6
143.07143	4.3
143.10815	4.2
145.03015	0.8
151.00403	0.9
157.01428	1.1
171.10332	0.8
175.02493	2.4
203.09219	1.3
205.07153	1.1
231.05077	1.2
249.06137	12.7
250.06483	0.8
267.07123	3.2
297.57001	0.9
319.13791	0.9
361.14938	2.3
379.16086	100.0
380.11414	1.7
380.16376	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22148	0.6
55.01874	1.1
59.01376	16.2
61.98824	2.7
69.71297	4.0
71.01381	6.0
72.99321	0.7
73.02948	58.9
74.03280	1.2
75.00868	1.1
79.05544	2.5
84.89580	0.6
85.02963	2.2
87.00874	1.2
89.02439	4.2
95.05023	1.9
97.06596	81.9
98.06942	3.0
99.00854	1.1
99.04652	0.7
101.02415	3.4
113.02470	2.1
115.17104	0.7
116.04205	0.6
119.03477	1.8
131.03552	1.5
132.12000	0.6
135.04495	0.8
141.05591	74.3
142.05936	2.8
153.09229	19.7
154.09590	0.8
155.07181	0.9
156.06194	0.7
157.08704	1.8
161.04672	1.4
163.06065	2.2
171.10271	9.5
177.04099	1.1
181.07198	3.9
197.08183	3.6
208.11792	0.7
211.87808	0.8
215.09242	42.3
215.78746	0.9
216.09572	3.0
238.63283	0.7
248.09195	0.9
258.49957	0.8
267.46045	0.7
285.08917	1.3
305.12552	1.0
317.11832	1.2
319.13953	1.0
361.14883	0.9
379.16071	100.0
380.16321	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	379.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28461	0.3
55.01878	1.9
57.03445	2.2
58.00591	3.1
59.01376	100.0
60.01707	1.1
61.98832	2.9
63.02391	0.4
66.90469	0.5
69.03464	0.7
69.93307	2.5
71.01383	67.7
72.01741	0.8
72.99313	3.6
73.02950	11.6
73.03341	0.8
75.00896	0.7
81.03452	0.5
83.01391	4.1
85.02956	14.9
87.00885	4.8
88.98820	1.5
89.02448	90.0
90.02790	1.5
93.03512	0.4
95.01406	3.5
97.02977	1.1
97.06606	3.5
98.20548	0.6
99.00883	3.7
99.04555	0.6
101.02450	42.1
102.02796	0.8
111.00872	0.4
113.02457	26.1
114.02779	0.7
119.03511	27.5
120.03857	0.7
125.02475	2.1
125.09731	0.6
131.03516	12.3
141.05621	2.4
143.03500	7.8
148.06343	1.2
149.04565	23.8
150.04939	0.7
151.02779	0.5
153.09248	1.2
155.10773	0.6
157.08728	2.9
161.04562	10.4
171.10297	1.5
177.04112	0.6
179.05620	23.0
180.05975	0.7
189.16992	0.4
190.08334	0.4
191.05630	4.2
197.08224	0.7
199.09743	0.4
215.09315	3.7
217.10861	0.9
234.11711	0.4
247.11879	17.0
248.12163	1.4
285.08832	0.9
303.09900	0.7
319.13937	3.6
379.16040	23.3
380.16345	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	378.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63747	0.2
59.01378	1.1
59.99943	0.3
61.98829	100.0
62.98509	0.3
69.81973	0.2
70.93473	0.6
71.01408	0.4
89.02477	0.4
101.02448	0.3
108.27127	0.3
120.58990	0.3
138.05612	0.4
153.05627	0.7
161.04773	0.3
163.86523	0.2
257.05283	0.3
379.07532	0.4
379.12036	0.3
379.16312	0.5
394.54514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88303	0.4
53.59014	0.4
59.01378	0.9
61.25902	0.5
61.98832	100.0
65.14211	0.5
71.65007	0.6
71.65394	0.6
96.96084	0.5
117.33521	0.4
120.79063	0.5
378.29623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1454
Annotation	Abafungin
Peak:m/z	Relative Intensity
53.57269	0.5
55.01870	0.7
55.78212	0.5
57.03451	4.9
58.00591	1.1
59.01374	7.7
69.03468	2.7
71.01379	10.9
72.99301	2.8
73.02946	2.0
75.00468	1.1
75.00874	17.3
78.21535	0.6
83.01395	0.7
84.02182	0.7
85.02955	13.3
87.00879	9.1
87.04511	1.9
89.02457	2.7
97.02982	3.6
98.19846	1.1
99.00883	3.9
101.02451	1.5
103.98576	0.5
111.00883	0.9
113.02454	1.0
128.05685	0.6
129.01955	9.8
135.08150	1.0
137.09753	6.0
141.01952	3.3
155.10791	60.2
156.11041	2.8
159.02977	1.9
169.12346	0.9
177.04045	49.7
178.04422	2.1
181.08716	1.8
195.05034	0.7
199.09753	23.6
200.10071	1.4
213.11339	0.7
223.19778	0.6
241.10672	2.8
276.51031	0.6
359.13425	14.7
360.13831	1.4
377.14508	100.0
378.14825	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	378.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
59.01376	16.6
61.98830	100.0
71.01393	8.7
71.16129	1.8
71.42419	0.8
72.99306	1.8
73.02950	1.4
75.00872	1.9
78.19614	0.7
78.91903	1.2
78.95916	2.0
83.01386	0.7
85.02972	4.5
86.34959	0.8
87.00893	1.8
89.02462	6.7
93.03481	1.7
95.01390	1.2
95.04985	0.7
96.96021	0.8
96.96952	3.5
99.00896	0.7
101.02460	4.0
102.30053	0.7
107.05107	1.0
108.02180	48.9
109.02987	16.7
109.06621	3.2
110.06944	1.7
111.04524	1.0
112.04063	6.1
113.02480	2.7
113.06129	0.8
114.05623	1.8
115.92085	1.5
117.96337	0.7
119.03512	2.7
121.02929	1.1
123.00884	1.0
123.04465	0.7
135.04579	1.9
138.05602	1.6
139.04092	1.2
151.04051	2.9
152.01169	41.6
152.04420	1.0
153.01962	25.9
153.05611	3.3
154.02362	1.8
154.05956	3.5
156.06679	1.0
157.05110	1.2
161.04555	1.5
163.04030	1.2
165.01936	0.9
179.05698	1.6
195.02942	1.0
197.04642	0.8
198.04958	1.1
257.04230	1.0
274.09265	1.0
315.07202	83.6
316.07559	7.1
341.10995	1.8
342.11691	0.9
343.12689	2.1
363.89322	0.8
371.98279	0.8
378.10483	1.4
379.08105	1.4
379.12289	1.6
379.16071	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	377.1454
Annotation	Abafungin
Peak:m/z	Relative Intensity
52.37932	0.5
53.35676	0.5
56.93337	0.4
57.03446	4.7
59.01134	0.5
59.01383	5.6
61.98827	8.3
68.99842	0.5
69.03452	1.2
69.52663	1.9
69.53089	1.9
70.99972	0.5
71.01378	8.4
72.99309	3.6
73.02958	3.7
75.00870	7.7
83.01399	1.2
85.02953	14.1
87.00884	1.7
87.04512	0.5
89.02454	2.0
92.61461	0.5
95.03345	0.5
97.02966	1.0
98.20574	1.0
99.00887	6.0
101.02447	1.4
105.34292	0.5
108.65411	0.5
110.96032	0.5
111.00890	0.6
113.02464	1.1
115.04011	0.9
119.50873	0.5
129.01952	9.5
129.52032	0.5
135.08211	1.1
137.09738	6.7
140.74300	0.5
141.01994	0.8
143.07166	0.6
148.07179	0.5
155.10786	100.0
156.11127	5.5
159.03001	3.3
177.04048	14.3
177.05542	1.0
178.04346	0.7
191.05675	0.7
195.05089	1.2
199.09756	63.3
200.10078	3.8
205.03691	0.8
220.01961	0.5
359.13391	2.7
377.14481	53.8
378.14758	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	375.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97412	0.3
56.10784	0.3
59.01377	100.0
60.01725	1.1
61.98838	1.2
67.33768	0.4
71.01384	2.5
71.64081	0.5
72.99303	0.4
77.93196	0.3
78.54943	0.3
85.02958	0.4
86.03226	0.4
89.02445	3.3
89.07478	0.3
101.02471	1.3
107.05008	0.3
109.02996	1.3
112.08375	0.3
113.02489	1.0
119.03533	1.4
167.46848	0.3
179.05650	0.5
202.61104	0.4
218.14003	0.3
375.27386	1.7
382.89386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03432	1.6
59.01375	16.7
60.01729	1.4
61.98829	100.0
67.84068	0.6
69.77094	2.2
69.77522	2.8
71.01382	19.0
71.01762	1.2
72.01714	0.9
72.99323	1.7
73.02943	5.9
75.00887	3.1
78.95908	1.3
82.08439	0.7
83.01409	3.1
85.02953	7.4
87.00884	1.5
89.02451	5.6
95.01412	1.0
96.96983	3.1
99.00917	3.3
101.02452	13.7
107.47979	0.8
109.06587	0.9
111.00900	6.3
113.02468	7.1
114.05606	2.3
114.42754	0.7
119.03547	1.5
121.03040	0.9
124.04060	0.8
125.02453	1.3
126.01507	0.7
135.04520	1.5
136.04076	1.1
136.07674	1.1
143.03482	1.2
151.04082	0.8
159.02994	1.7
161.04558	9.6
168.02988	0.9
177.04021	2.0
179.05766	1.3
188.06665	0.7
194.98981	0.8
195.05078	1.9
197.08191	0.8
198.07875	0.7
205.03537	0.7
215.09225	1.2
269.10342	4.7
313.09286	24.0
313.12955	1.5
314.09604	2.0
376.07877	1.2
376.12619	4.0
377.14685	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	377.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
57.03440	0.5
58.34489	0.2
59.01377	2.7
61.98829	100.0
70.03131	1.0
71.01383	1.9
71.18540	0.2
72.99300	0.5
73.02961	0.5
74.29916	0.2
75.00874	1.8
83.01402	0.3
85.02962	1.5
87.00903	0.5
87.04504	0.4
89.02455	0.5
95.20839	0.2
97.02985	0.3
98.19910	0.4
99.00891	0.6
101.02473	0.7
101.06118	0.2
108.66859	0.2
111.00910	0.3
113.02460	0.3
115.04063	0.3
128.39722	0.2
129.01964	0.8
136.47121	0.2
137.09761	0.7
141.01930	0.2
152.03564	0.4
153.04005	0.2
154.09586	0.2
155.10802	9.3
156.11157	0.3
177.04039	2.5
185.11865	0.4
195.05052	0.3
197.11844	0.2
199.09761	6.5
199.11574	0.3
200.10019	0.3
202.90259	0.2
267.29816	0.2
285.04004	0.3
377.14368	6.3
377.18365	0.9
378.14404	0.3
378.18521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65175	0.4
57.70247	0.5
59.01376	100.0
60.01716	1.5
61.98830	11.2
71.01383	4.1
71.32521	0.8
73.02939	0.8
75.00867	1.0
78.95904	0.5
79.53812	0.4
85.02956	0.9
89.02457	1.3
95.01389	0.8
96.96980	1.4
99.00878	0.5
101.02447	1.9
107.05058	1.0
110.28009	0.4
113.02460	1.4
118.86050	0.4
120.02175	1.0
123.04500	1.3
135.04482	0.5
136.04094	1.5
138.03247	4.5
139.00391	0.4
151.00342	0.6
153.05588	57.5
154.05936	2.9
156.04442	0.4
161.04543	3.9
162.95619	0.4
165.01904	0.4
179.03490	1.0
193.98601	0.6
195.05055	0.6
195.06631	1.4
197.00912	0.7
213.07629	0.4
262.75308	0.4
284.26074	0.4
313.09335	0.7
315.10913	0.8
357.04526	0.7
363.72833	0.4
375.05688	0.9
376.12442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1297
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
55.01870	3.2
57.03450	12.7
59.01377	14.6
61.43633	0.6
61.98825	1.9
68.99796	1.0
71.01379	7.7
71.59171	1.2
72.99310	10.6
73.02952	3.8
75.00890	4.1
78.95937	0.9
83.01408	2.8
84.02193	2.2
85.02959	100.0
86.03280	2.9
87.00896	3.0
88.98798	1.1
89.02454	3.2
91.00373	2.3
92.87517	0.6
95.01389	0.7
97.02974	1.7
97.06593	2.0
99.00896	1.4
101.02473	4.0
103.00382	2.2
106.22192	0.6
111.00883	3.9
113.02448	1.4
115.00398	0.9
119.03513	0.8
123.04478	0.7
125.02470	1.4
129.01962	11.9
137.02464	1.3
141.05606	1.4
147.03015	17.3
149.12933	0.7
151.04013	0.8
151.11346	0.6
153.05598	0.7
153.09192	6.3
159.02950	0.7
161.04602	0.7
173.00880	3.1
177.04088	4.3
183.10324	1.4
191.01987	31.5
192.02325	1.2
195.05087	1.8
195.10315	0.7
197.08316	1.4
211.06171	1.7
213.07806	1.0
215.09302	1.7
263.87631	0.6
331.13864	0.8
333.19058	0.8
357.11884	1.3
375.06451	0.8
375.07886	1.2
375.12842	15.9
375.20551	2.4
376.13120	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
57.03440	4.5
58.00579	3.0
59.01376	65.4
60.01716	1.2
61.98827	3.9
63.48388	0.6
69.03454	1.2
71.01382	42.3
72.01729	0.8
72.99311	3.4
73.02943	10.1
73.97792	0.7
75.00896	3.2
77.11277	0.6
83.01395	6.5
85.02953	22.6
86.00112	1.3
87.00887	5.4
89.02447	27.1
90.96900	0.6
92.90442	0.6
95.01406	3.3
97.02976	1.3
97.06583	5.0
98.20657	1.6
99.00893	4.5
101.02451	36.9
102.02799	1.2
109.02947	0.6
111.00881	1.6
113.02461	16.2
119.03525	13.0
119.96603	0.6
123.04521	2.0
123.10770	0.7
125.02461	0.9
129.01950	2.3
131.03526	1.2
133.03014	1.1
133.10188	1.2
135.04536	1.8
141.05585	2.9
143.03522	2.2
149.04613	0.8
153.09216	3.8
159.03014	1.2
161.02498	3.3
161.04535	7.0
169.12323	1.7
177.04076	2.7
177.09193	7.7
178.09479	0.7
179.05644	3.5
191.01970	1.2
195.05038	1.1
195.10275	0.9
197.08290	1.7
213.11322	1.0
215.09222	1.6
225.11324	0.9
241.42944	0.7
255.08949	1.9
287.10342	1.0
309.19016	0.7
315.14377	1.2
331.17770	1.2
339.07214	2.1
357.15543	24.3
358.15945	2.5
375.07452	3.7
375.12961	5.4
375.16635	100.0
376.12997	0.9
376.17130	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	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03447	6.2
59.01376	10.0
66.90267	0.8
69.08059	0.7
71.01379	15.2
72.99305	2.9
75.00874	29.6
75.01299	1.6
83.01405	1.3
85.02956	14.8
87.00881	11.9
89.02446	3.8
97.02953	2.0
99.00870	5.0
101.02472	2.5
108.88522	0.8
111.00891	2.3
129.01956	15.5
131.03517	1.0
135.08150	1.2
141.01955	2.0
153.09224	36.0
154.09547	2.1
159.03024	4.5
167.10834	1.1
177.04051	69.0
178.04407	2.1
187.11908	0.7
195.05093	11.4
195.10349	0.8
197.08217	9.1
198.08549	1.2
211.83827	0.8
229.17282	0.8
331.14008	3.7
342.15839	0.9
351.29953	0.9
357.11890	8.9
358.12299	1.6
375.12952	100.0
376.13251	13.4
398.12000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1298
Annotation	Shermilamine D
Peak:m/z	Relative Intensity
55.21413	0.7
57.03444	7.7
57.69070	0.7
59.01373	14.7
68.99847	1.0
69.03458	1.8
69.54224	5.9
71.01385	15.0
72.99316	3.6
73.02940	0.9
75.00875	26.1
83.01391	1.9
84.02180	0.9
85.02953	15.3
87.00879	10.7
89.02451	3.3
97.02962	4.1
98.20621	1.6
99.00894	6.7
101.02460	2.6
103.00423	0.9
109.06584	1.2
111.00909	1.9
111.04547	1.2
113.02447	1.1
117.03925	0.7
129.01955	17.6
133.10255	2.1
135.08133	1.2
141.01971	2.9
145.49898	0.7
151.44864	0.7
152.38824	0.8
153.09225	42.1
154.09543	2.2
159.02974	5.4
177.04054	74.3
178.04347	1.6
195.05125	9.6
197.08208	10.9
299.10379	1.7
331.13977	2.4
333.45511	0.7
340.65451	0.8
343.09427	1.3
357.11908	11.8
375.12955	100.0
376.13260	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90000	1.3
53.49511	1.2
53.67928	1.2
55.01867	2.3
57.03455	6.4
59.01379	20.8
61.98819	2.4
68.31660	1.1
68.99783	1.3
69.03418	1.5
69.28149	10.3
69.28561	3.5
71.01386	24.5
72.99301	11.9
73.02933	4.5
75.00873	25.9
81.75602	1.0
83.01385	3.0
85.02958	28.4
87.00865	4.8
89.02445	6.0
90.07727	1.3
93.03429	1.3
95.01340	1.2
97.02959	2.7
99.00892	13.7
101.02458	6.6
109.02969	2.0
111.00875	3.0
111.04538	1.5
113.02451	3.1
115.04046	2.1
118.35307	1.3
119.03464	1.8
125.02405	1.3
125.99590	2.2
129.00990	1.5
129.01955	29.1
137.02448	4.6
137.99582	2.9
141.01910	4.6
152.03540	5.8
153.01950	1.7
153.03851	3.1
153.05562	18.2
153.09224	100.0
154.09572	6.9
159.03017	10.4
159.04213	1.8
161.04488	1.7
177.04050	39.2
178.04361	1.4
183.10339	1.4
190.87875	1.3
195.05103	38.7
195.10345	1.4
196.05325	1.9
197.08205	41.6
198.08534	3.8
211.06119	40.2
211.08121	2.2
212.06400	2.7
213.02887	1.3
303.12302	1.4
319.17447	1.7
357.11987	3.0
375.07162	2.4
375.12857	79.2
375.20447	6.1
376.13333	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	373.2596
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03432	1.4
58.00601	0.5
59.01379	4.4
61.98833	3.5
69.03438	0.5
71.01385	0.8
71.05024	0.5
71.64370	0.5
73.02945	1.0
79.74471	0.4
83.05000	0.5
85.02948	0.5
87.04524	0.8
89.02451	0.8
96.96016	0.5
97.06609	0.8
101.02461	0.6
111.00916	0.4
111.32222	0.4
119.05090	0.4
121.02990	0.6
121.10255	0.8
123.08177	1.4
125.02442	0.8
125.09706	1.2
127.11322	0.9
129.63258	0.5
137.02373	0.6
137.09766	0.9
139.11282	1.5
141.09216	0.5
141.12860	1.1
143.03654	0.4
151.04024	1.1
155.10692	0.9
157.12361	1.8
165.01947	0.5
169.12381	0.8
171.10277	2.0
171.68939	0.4
185.11856	4.8
213.11314	0.6
215.12875	7.5
216.13211	0.5
253.04691	0.5
313.23782	0.8
314.24240	0.5
325.23755	0.9
343.24884	6.0
344.25214	0.7
355.24783	3.1
369.43246	0.4
371.24387	1.4
373.25946	100.0
374.26294	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	374.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66611	0.2
57.03455	0.2
59.01378	6.8
67.87910	0.2
68.87749	0.2
69.94381	1.0
70.83434	0.2
71.01383	1.4
72.99306	0.4
73.02919	0.3
75.00884	1.1
85.02955	1.2
87.00895	0.5
89.02456	0.6
93.03468	0.2
97.02931	0.3
99.00902	0.4
101.02445	0.4
113.02507	0.2
116.82862	0.2
122.03749	7.1
125.06037	0.3
129.01962	1.0
135.04521	0.2
136.04085	0.3
137.02487	0.2
151.23759	0.2
152.03546	100.0
153.03925	3.4
153.09222	3.0
153.66006	0.2
161.04495	0.2
177.04073	1.7
194.04283	0.3
195.05063	0.8
197.08209	1.6
274.99545	0.2
344.12173	0.7
375.12823	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	375.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01125	0.6
59.01381	7.1
61.98829	8.3
65.00340	0.9
68.99796	0.7
69.03446	0.9
71.01376	3.1
71.34058	1.0
72.99323	1.7
73.02937	0.8
75.00866	0.6
77.04005	0.4
78.01117	1.6
78.95901	0.5
79.01905	1.4
81.03482	0.6
83.01393	0.8
85.02965	1.6
87.00883	1.0
88.98770	0.7
89.02447	3.0
91.01944	0.5
92.61359	0.4
93.03471	0.9
95.01395	8.5
96.96946	0.9
97.02950	1.7
101.02462	1.4
105.60070	0.4
107.01395	9.3
108.01757	0.5
110.00083	0.6
110.02491	1.5
111.00890	0.8
113.02471	1.7
121.02954	1.6
122.00100	0.8
123.00903	10.0
123.04498	1.1
124.01685	10.0
125.02483	4.2
133.03009	0.5
135.04515	1.8
137.02451	1.4
141.01952	0.7
149.02484	0.9
149.99597	8.7
151.00389	23.8
151.03995	1.6
152.00735	0.9
163.00293	0.5
165.01930	1.6
165.99088	16.0
166.43883	0.5
166.99471	0.9
167.03477	0.6
168.00658	8.9
168.02892	0.5
169.01456	5.1
178.99873	1.4
179.03421	0.5
182.99394	1.2
186.13301	0.4
193.01462	0.9
193.98575	51.6
194.99347	19.3
195.05135	1.3
197.00928	2.7
201.01726	0.4
208.82301	0.4
211.99628	9.5
213.00218	0.7
213.57608	0.5
313.05688	1.6
331.06888	0.5
357.04623	40.9
358.05023	3.7
375.05679	100.0
376.06055	9.9
380.74664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14329	0.4
57.03442	0.4
59.01380	100.0
60.01713	1.2
61.98829	2.2
65.98583	0.3
69.59743	1.1
69.60152	1.5
71.01392	3.8
73.02953	1.7
75.00858	0.8
80.25911	0.3
83.01424	0.4
85.02957	1.8
87.00910	0.5
87.27853	0.3
89.02463	1.4
91.01908	2.5
93.03468	3.7
95.01427	0.4
95.05023	0.5
99.00916	0.4
101.02459	2.5
107.05007	0.4
113.02459	1.9
117.03562	0.3
119.01411	1.5
119.03548	0.4
121.02966	3.2
125.02521	0.4
129.02019	0.3
137.02466	3.2
145.02972	0.4
151.04028	51.5
151.07643	4.9
152.04410	2.1
159.03027	0.5
161.04576	4.0
169.08694	0.6
200.04713	0.7
244.03491	0.4
281.06473	0.4
373.14566	0.5
373.18716	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.4
61.98829	2.4
69.73271	2.6
69.73693	1.7
71.01379	3.4
72.69443	0.6
75.00888	0.7
76.25951	0.6
78.99000	0.6
85.02954	8.5
87.00880	3.5
89.02461	3.4
93.03458	2.2
101.02425	2.1
113.02459	1.2
113.32258	0.6
115.00357	1.0
119.03522	1.0
127.04028	2.1
133.01421	2.0
137.06871	0.6
149.00664	1.2
151.06137	1.6
167.01773	1.0
179.05624	1.0
181.07245	1.1
191.05615	100.0
191.22423	0.8
192.05894	4.9
203.20410	0.6
211.00694	1.6
278.93689	0.7
313.11459	3.6
373.05569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01872	0.4
57.03442	0.8
58.00554	0.4
59.01375	100.0
60.01715	1.4
71.01382	10.0
73.02950	2.9
75.00876	0.7
83.01392	1.2
85.02966	4.1
87.00871	0.7
89.02460	3.7
95.01414	0.6
98.20619	0.8
99.00906	1.3
101.02446	6.4
101.03087	0.4
103.71227	0.4
111.00957	0.7
113.02474	3.3
113.72075	0.4
119.03510	2.1
143.03540	0.8
153.79822	0.4
155.10843	1.7
159.03035	0.9
161.04527	3.9
179.05690	0.5
181.12347	0.6
193.12500	0.4
199.09792	1.0
208.02263	0.5
225.11340	1.1
229.18343	0.5
240.75598	0.4
331.17636	3.1
373.18619	3.8
373.26202	1.4
374.19135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01709	1.1
61.98825	4.2
64.01991	0.7
67.86418	0.7
69.49592	5.9
71.01404	3.1
75.00899	1.1
78.95914	1.6
85.02962	1.9
86.62279	0.6
87.00888	0.8
88.98782	0.7
89.02462	2.4
92.40527	0.5
93.03475	3.5
94.73370	0.6
95.01414	4.6
99.75136	0.7
101.02470	2.1
107.01368	3.0
107.05061	1.3
109.22884	0.7
113.02470	2.5
116.64320	0.7
119.03548	1.3
119.46944	0.7
123.00905	1.7
123.04535	1.1
125.02470	1.2
129.02097	0.8
135.36053	0.7
148.98888	1.3
149.06097	0.7
150.03203	0.7
151.00394	7.4
151.04019	62.1
152.03259	0.6
152.04404	2.7
153.01936	0.6
161.04608	1.0
163.04092	0.6
167.03520	4.2
176.98354	2.9
177.04143	0.9
178.99951	1.3
193.05106	1.1
193.08685	1.0
194.99321	5.3
209.94315	0.6
211.06068	1.6
216.63588	0.6
222.98938	2.2
327.03763	2.3
329.15964	0.8
345.04712	0.7
353.51569	0.6
355.03134	5.1
370.06549	0.6
373.04050	11.0
373.07892	1.1
373.15179	1.1
373.19171	0.8
374.05057	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32763	3.5
57.03452	6.7
59.01382	63.2
60.01160	3.3
61.98830	63.0
66.43599	3.4
71.01385	64.5
71.44963	9.0
72.01781	3.6
72.97532	5.2
72.99326	10.3
73.02950	14.8
75.00889	9.9
78.92480	3.6
78.95913	9.0
81.75949	3.5
83.01392	6.6
85.02940	32.0
87.00883	8.4
89.02469	21.7
93.03451	7.2
95.01401	12.2
95.05025	4.4
96.96962	4.5
99.00867	6.4
101.02458	34.0
106.04273	7.6
107.05045	77.1
108.02199	15.1
109.02974	4.6
113.02448	28.8
115.92116	5.5
119.03550	7.4
121.02993	5.2
123.00914	10.2
123.04534	21.2
125.02523	4.6
133.02946	7.5
136.01672	15.0
137.02458	12.4
137.06108	4.8
138.01480	7.5
147.04570	4.9
148.04079	8.0
149.02492	5.8
149.04427	11.0
149.06139	9.4
151.00397	9.0
151.04033	100.0
152.01178	13.2
153.01976	8.2
161.04604	33.6
166.01009	5.7
166.02768	7.0
166.05153	19.4
167.01762	4.3
167.03496	18.6
167.05432	22.2
178.02736	16.2
181.05090	7.9
191.03505	10.1
193.05084	27.7
194.99466	3.9
195.03110	4.8
195.05086	4.9
207.04828	4.8
208.99153	3.6
209.04649	3.8
210.04065	15.2
211.02533	10.1
211.04381	20.2
211.06157	14.0
225.06023	6.3
253.05415	11.0
299.07822	4.0
313.09207	14.1
355.03070	5.0
373.07648	75.7
373.11343	9.5
374.07834	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	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96937	0.7
59.01381	5.4
61.98830	100.0
71.01360	1.2
94.28175	0.7
100.55736	0.8
101.03827	0.9
105.74098	0.8
110.60655	0.7
117.25484	0.8
148.30646	0.9
271.05444	0.9
329.07996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	5.9
59.80138	1.7
60.21098	1.6
61.98827	100.0
68.74519	1.5
69.29157	15.3
69.29569	2.8
105.02386	1.6
131.00833	1.8
134.39091	1.4
151.04039	2.3
151.07951	1.6
247.97795	1.8
260.38724	1.8
373.27264	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1142
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.01876	1.0
57.03450	1.2
58.00606	0.5
59.01377	19.4
61.98829	46.7
63.86843	0.5
68.99818	0.6
71.01386	16.6
71.11819	1.0
72.97549	0.8
72.99319	1.1
73.02953	4.9
75.00858	1.2
78.91900	2.0
78.95924	0.6
81.03497	0.7
83.01383	3.2
85.02960	7.2
87.00879	2.4
89.02451	6.1
91.04001	2.5
93.03465	32.9
94.43574	0.5
95.01383	3.0
97.02936	0.9
99.00887	2.1
101.02451	14.4
109.02950	0.5
113.02454	6.6
115.00401	0.9
119.03524	1.2
121.02978	1.2
122.06091	0.6
123.00860	0.7
125.02449	1.8
129.01912	0.7
132.04567	1.4
134.03777	1.2
136.01692	2.5
137.02458	100.0
138.02791	4.8
147.04544	1.0
149.02483	0.5
149.99606	0.6
150.06882	3.3
151.00362	1.2
151.03996	3.4
151.07648	0.8
152.04826	0.6
159.03052	1.1
160.32498	0.5
161.04555	3.4
163.04042	0.7
166.05074	0.5
166.99699	1.2
167.03603	0.5
167.07069	0.9
168.00693	1.2
177.01920	1.2
177.04022	0.8
178.02676	2.9
179.03473	1.8
191.03542	1.1
191.05693	0.6
193.05077	1.7
194.99315	0.6
195.05455	0.8
196.03719	1.0
200.02362	0.5
210.06798	0.8
211.05974	0.6
221.04559	1.4
239.05539	1.4
253.09274	1.1
255.53632	0.6
275.01129	0.6
281.06570	1.8
326.98880	0.5
373.11401	97.2
374.11578	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	371.3166
Annotation	CHEBI:79298
Peak:m/z	Relative Intensity
53.67761	0.5
55.03485	0.6
58.00591	0.5
61.98816	1.1
65.22667	0.5
65.48663	0.5
70.81888	1.1
70.82262	1.1
72.99310	35.4
75.00877	13.2
91.60961	0.5
210.28485	0.6
238.11047	0.5
260.65775	0.5
295.30103	2.0
307.30127	0.6
325.31097	2.0
371.31662	100.0
372.32034	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	372.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88734	0.8
59.01086	2.0
59.01378	33.9
61.98828	74.5
69.69979	6.4
71.01389	15.3
72.99303	3.4
77.17826	0.8
80.05008	1.2
83.01373	1.0
85.02957	4.0
87.00886	1.1
89.02451	21.8
93.03481	1.1
95.01413	2.0
96.97880	0.9
101.02452	12.9
102.82089	0.9
105.92693	1.0
113.02437	6.8
115.11692	0.8
119.03516	10.7
122.06118	2.0
123.04491	1.2
134.03818	0.9
147.06697	1.2
151.04056	1.1
166.05124	3.4
179.05565	1.1
191.05531	1.1
192.05956	1.6
207.96677	0.9
211.54999	0.9
309.11902	100.0
310.12292	8.1
372.09824	2.9
373.11340	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47820	0.4
59.01370	1.5
61.98830	100.0
69.43080	3.2
69.43504	1.0
74.84009	0.4
87.97454	0.4
90.92390	0.4
99.13521	0.4
151.04054	0.6
154.22757	0.4
277.45868	0.4
399.00723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57508	0.7
57.18564	0.7
59.01379	2.4
59.62873	0.7
60.56828	0.8
61.98828	100.0
69.37944	1.9
69.38358	6.2
72.14568	0.6
75.78093	0.6
82.73476	0.7
107.65099	0.7
124.03300	0.7
142.91847	0.7
151.04025	0.7
272.21191	0.8
324.79105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01377	100.0
60.01709	1.4
61.98830	1.5
70.18543	1.7
70.18935	1.3
71.01389	4.3
72.99315	0.9
73.02948	0.9
75.00877	1.2
83.76544	0.5
85.02953	4.0
87.00883	1.4
89.02448	2.5
93.03469	3.2
99.00900	0.8
101.02454	2.0
103.00394	0.8
103.05556	1.1
109.02988	1.2
111.00913	0.5
113.02460	1.9
117.65394	0.4
119.03507	1.1
121.02975	1.5
122.03869	0.7
122.06151	0.7
129.01956	1.7
130.04263	8.6
131.05045	39.4
132.05389	2.6
134.03758	6.6
135.04530	2.2
137.02434	4.0
137.03326	0.5
137.06122	0.7
149.06099	97.9
150.06464	4.8
158.75484	0.6
161.02496	1.0
161.04617	0.9
165.00171	5.6
165.05586	1.6
165.09245	4.4
166.05110	1.1
173.04590	0.8
177.04065	2.4
179.03523	3.2
180.03900	0.9
191.03523	1.1
191.05592	2.4
191.07108	0.5
192.05899	0.7
193.05025	7.2
195.05104	3.7
197.58015	0.5
208.99071	1.3
209.04581	2.1
209.08272	1.1
239.05586	2.1
298.41751	0.5
299.76498	0.5
310.39981	0.5
311.11404	1.3
371.04456	1.6
371.09726	3.4
371.13559	1.7
372.09637	0.9
373.28665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
57.03446	1.3
58.00591	0.6
58.46227	0.5
58.91854	0.5
59.01376	14.5
61.98833	1.8
65.00318	0.6
68.99821	0.9
69.03455	0.7
69.72067	2.4
69.72479	1.1
71.01384	17.9
72.99298	1.4
73.02946	6.3
73.74048	0.5
75.00881	2.0
78.95896	1.2
81.03469	0.7
83.00984	0.5
83.01383	3.5
83.05042	0.8
85.02955	12.0
87.00874	2.2
89.02434	3.1
91.01903	13.8
93.03461	26.2
94.03783	1.2
95.01389	2.9
96.99317	0.8
97.02951	0.9
99.00858	2.7
101.02452	13.5
101.65173	0.5
108.02193	1.8
109.03014	0.8
111.00861	0.8
113.02456	7.1
119.03521	1.2
119.05044	0.6
121.02965	5.5
125.02438	1.7
129.01994	0.9
134.03749	1.0
135.00894	16.8
135.04520	0.6
136.01677	2.8
137.02455	72.0
138.02826	2.9
149.02498	0.7
149.06079	1.0
157.00607	0.6
159.02985	1.4
161.04562	2.4
163.03996	1.1
165.09166	0.6
166.02737	1.4
167.03503	49.8
168.03847	2.1
177.04048	0.6
179.03532	0.9
191.05553	0.6
193.04988	0.7
195.04979	0.6
209.04501	0.8
209.08272	0.7
221.04538	1.0
249.05959	0.6
281.06656	2.0
346.08481	0.6
371.13461	100.0
371.21487	2.4
372.13736	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	371.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12787	0.4
55.01873	0.9
57.03445	1.0
57.49533	0.4
59.01381	10.1
60.67631	0.3
61.98846	1.0
65.00327	1.0
68.99793	0.9
69.03461	0.8
71.01388	11.3
71.59355	0.4
72.99313	0.5
73.02956	3.8
73.12556	0.4
75.00872	1.2
78.95911	1.9
80.56907	0.3
81.03445	0.7
83.01392	2.6
83.05028	1.3
85.02955	7.8
87.00920	0.9
87.63755	0.4
89.02444	2.5
90.76958	0.4
91.01904	29.4
92.02232	0.9
93.03471	15.2
94.03832	0.8
95.01389	1.9
96.99324	0.7
97.02939	0.7
99.00887	1.8
101.02447	8.8
107.01407	0.5
108.02197	1.4
109.02971	0.8
111.00883	0.5
112.29121	0.4
113.02452	4.6
116.36900	0.4
119.03477	0.4
121.02958	4.9
123.00913	0.5
125.02444	0.9
129.01956	0.7
134.03772	0.4
135.00900	33.3
136.01576	1.2
137.02463	45.6
138.02803	2.0
140.95944	0.4
149.02423	0.4
152.01115	0.4
153.01973	1.0
159.02985	0.9
161.04565	0.9
163.04008	0.7
165.09219	0.5
166.02698	2.2
167.03511	100.0
168.03893	4.5
177.04088	0.8
177.05571	0.4
179.03516	0.7
209.04631	0.7
209.08191	0.7
221.04604	1.1
233.00667	0.4
251.11555	0.5
263.83618	0.4
281.06787	0.8
301.07596	0.4
311.07700	0.9
371.13480	64.9
371.21564	2.0
372.13684	7.0
372.21652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.1
57.29657	0.9
59.01377	20.4
63.98409	1.0
69.46650	10.0
69.47043	2.5
70.59929	1.1
71.01385	17.1
72.99311	3.1
75.00871	38.3
75.01300	2.0
83.01402	1.8
84.02158	1.7
85.02953	18.4
87.00881	14.6
89.02460	6.6
93.47850	1.2
99.00874	9.6
101.02430	1.9
111.00902	1.8
113.02450	4.9
117.03462	5.4
121.02959	15.2
127.29261	1.2
129.01950	23.5
130.60448	1.2
134.03749	63.0
135.04114	1.5
137.02408	2.0
141.01987	1.6
146.71559	1.0
149.06094	4.9
150.00191	1.6
159.02948	6.3
160.01675	3.1
175.03993	4.0
176.04799	2.0
177.04051	85.2
178.02876	1.9
178.04416	3.4
191.07153	1.7
193.05051	52.4
194.05350	4.5
195.05103	69.2
196.05334	3.2
223.06190	1.3
235.06036	3.3
239.96083	1.3
249.06151	13.0
290.31354	1.1
295.08249	2.1
353.08682	3.9
371.09821	100.0
372.10104	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	371.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.00587	0.6
59.01381	20.1
61.98827	10.8
69.03455	1.0
69.18571	0.5
71.01387	15.5
71.65415	0.7
72.01740	0.5
72.99323	1.8
73.02957	2.1
75.00875	4.6
83.01404	2.0
85.02952	4.2
87.00880	34.3
89.02444	3.6
93.03457	3.4
95.01391	1.0
97.02988	1.0
99.00894	1.2
101.02468	4.8
105.01955	2.3
107.04990	0.5
108.02185	14.4
109.02995	4.5
109.90736	0.5
112.03130	0.5
113.02454	3.7
117.03573	0.6
119.03505	1.1
119.05028	0.6
121.02971	100.0
122.03300	4.0
125.02469	1.1
129.01964	0.9
134.03743	1.3
135.04538	80.1
136.04883	3.3
137.02464	8.0
145.02939	1.3
146.03339	0.7
149.02432	0.8
149.06108	5.8
152.01155	8.2
153.01929	3.2
155.10808	0.6
161.04579	1.0
163.04028	7.1
163.55298	0.5
164.04637	0.8
165.04099	0.8
177.04059	2.3
193.05014	2.3
195.05151	1.8
217.05066	0.6
223.06212	3.2
249.06151	4.3
289.07071	1.7
290.05429	1.6
308.14389	1.0
371.09686	62.5
371.13446	7.6
372.10068	6.7
372.13959	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
52.90265	0.2
55.01886	0.4
55.92377	0.2
57.03449	0.9
57.39256	0.2
59.01376	4.1
60.03116	0.2
61.98830	3.2
62.75509	0.3
64.52637	0.2
69.03455	17.6
69.58062	2.1
69.58402	0.5
70.03777	0.3
71.01382	1.3
71.31937	0.2
72.99310	0.3
73.02959	0.5
75.00921	0.5
79.01882	3.4
81.03469	0.9
83.01410	0.3
84.31706	0.3
85.02953	4.6
89.02498	0.4
93.03484	0.5
95.01392	1.9
97.02957	10.3
99.08070	0.2
101.02485	0.6
102.59964	0.2
105.05587	0.3
107.01394	16.4
108.01631	0.3
108.02271	0.6
109.02942	0.3
113.02454	0.6
117.03422	0.3
119.05061	0.2
119.97736	0.2
121.02964	17.7
122.03332	0.9
123.00900	3.6
123.04618	0.3
125.02458	24.2
126.02805	0.9
133.02989	0.9
135.00896	30.3
135.04526	1.1
136.01520	1.2
136.23672	0.3
137.02454	1.1
143.73051	0.2
145.02982	0.2
147.03036	0.5
149.02469	1.0
151.00388	16.9
152.00827	0.5
153.01920	0.9
159.03174	0.3
161.02379	0.2
163.04008	1.6
165.01953	0.8
166.02724	100.0
167.03499	43.4
168.03850	2.5
177.01935	2.9
177.03419	0.3
177.04041	0.3
179.03510	0.7
179.10785	0.5
179.12292	0.3
190.99940	0.3
191.01924	0.3
191.03523	0.4
193.04947	0.4
208.96257	0.3
209.02693	0.3
209.04564	4.0
221.04573	0.7
247.45682	0.2
321.28458	0.2
339.07138	1.1
371.09729	12.8
371.13217	0.7
372.10223	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82946	0.6
55.01855	0.9
57.03443	3.1
58.00605	0.7
59.01093	1.3
59.01375	16.8
59.93955	0.6
67.01900	1.6
68.99812	3.0
69.03450	1.7
70.46933	2.6
71.01379	19.3
72.99310	5.3
73.02945	1.4
75.00871	21.5
81.03456	1.0
83.01401	0.9
85.02948	19.2
87.00882	9.1
89.02454	5.2
93.03460	1.6
95.01398	4.5
97.02920	1.0
99.00884	10.9
100.01208	0.8
101.02438	0.8
103.00349	1.4
109.02974	1.1
111.00903	1.1
113.02454	27.6
115.00404	1.8
117.01933	4.2
121.02965	100.0
122.03301	4.3
129.01978	2.9
129.97905	0.7
134.03769	3.7
149.02466	2.0
157.01471	1.1
164.04846	1.6
175.02489	2.6
177.04054	5.3
186.06343	0.7
189.04054	1.0
193.05029	4.3
195.05144	5.7
208.94362	0.7
223.06104	2.5
231.05080	7.2
249.06131	72.4
250.06453	4.0
353.08691	3.2
371.09821	75.0
372.10168	8.9
374.52786	0.7
381.40530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3011
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
57.03439	0.9
61.98822	1.1
67.59191	0.4
68.42220	0.4
117.24860	0.4
119.17580	0.4
279.26929	0.5
305.28461	1.3
307.30063	61.8
308.30362	8.2
325.31113	1.8
351.29053	19.2
352.29355	2.8
369.30099	100.0
370.25726	0.8
370.30441	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	370.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31886	0.9
59.01373	4.0
61.98831	100.0
62.80567	1.0
71.01365	0.9
95.74906	0.8
98.20639	2.1
136.03365	0.8
150.69226	0.9
167.03973	0.9
223.13362	1.6
227.38516	0.9
244.96805	0.9
255.02808	1.0
289.66278	1.0
375.48468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00381	0.3
54.27810	0.3
55.06753	0.3
59.01371	1.1
61.98827	100.0
69.31596	2.4
69.32008	1.1
73.95416	0.3
77.24625	0.3
121.02964	5.8
179.03494	0.5
293.76965	0.3
371.07721	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.7
61.98829	100.0
98.19889	1.6
100.40704	0.5
101.63737	0.5
121.02977	1.3
156.12741	0.6
205.17467	0.5
229.22633	0.8
273.46576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0985
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.97763	0.5
55.01878	1.3
57.03446	4.1
58.00592	0.7
59.01378	25.8
59.01676	1.3
59.58237	0.6
61.98826	0.9
67.01901	0.6
68.99818	0.9
69.39793	6.0
71.01388	19.9
72.99303	7.6
73.02939	3.0
75.00874	22.3
77.41084	0.5
81.03477	1.0
83.01385	2.1
84.02151	0.6
85.02956	25.4
86.03314	0.9
87.00879	9.4
89.02448	8.3
93.03448	1.5
95.01410	6.2
97.02925	0.9
99.00892	12.7
101.02442	2.7
103.00397	4.4
111.00899	1.0
113.02463	31.0
114.02770	0.8
115.00371	2.5
115.04066	0.7
117.01967	3.1
119.03508	1.4
121.02969	100.0
122.03313	4.9
129.01941	5.9
131.03479	0.7
134.03754	10.5
135.04521	2.1
149.02484	0.9
149.06142	0.8
157.01305	0.9
159.03023	2.2
161.02414	2.9
166.67743	0.6
175.02519	3.7
177.04053	6.3
178.02737	1.0
179.03464	2.6
189.04086	1.2
193.03455	1.5
193.05020	9.7
195.05093	10.5
223.06143	1.1
231.05086	3.7
249.06149	24.9
250.06546	0.7
339.07114	2.3
353.08789	2.8
371.09805	87.0
371.13193	3.2
372.10223	8.9
392.70688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
51.58745	1.1
57.03449	1.5
58.12173	1.0
59.01374	20.7
63.25055	1.0
67.01896	1.9
68.99811	2.7
69.03440	2.3
69.50751	8.9
69.51083	1.4
71.01380	15.5
72.99299	3.3
73.02926	1.8
73.34063	1.0
75.00880	18.2
79.97678	1.1
81.03471	1.2
83.01383	2.2
85.02957	19.8
87.00883	7.5
89.02443	4.3
93.03458	1.2
95.01395	6.0
99.00901	10.8
102.09510	1.1
103.00418	1.4
108.02193	1.2
109.02979	1.3
111.00933	1.1
113.02451	21.3
115.00392	2.1
117.01968	4.2
121.02965	100.0
122.03300	5.6
129.01933	3.3
134.03740	1.8
135.32660	1.3
147.93690	1.1
149.06091	2.1
162.69382	1.1
168.59023	1.1
175.02504	3.0
193.05025	1.9
193.35953	1.3
195.05072	1.8
231.05077	7.6
249.06126	68.4
250.06453	3.3
311.07846	1.1
353.08862	2.1
367.23367	1.2
371.09821	71.6
372.10175	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	369.1191
Annotation	Hapalindole F
Peak:m/z	Relative Intensity
55.01876	0.5
57.03446	0.3
58.00599	0.2
59.01376	3.5
61.98833	1.4
62.46091	0.2
69.34985	2.1
71.01382	4.1
73.02959	2.1
75.00874	0.5
75.05437	0.2
77.71654	0.2
83.01390	0.8
85.02951	3.0
87.00893	0.5
89.02476	0.4
93.03473	0.2
95.01363	0.2
97.02981	0.3
99.00906	0.6
99.04542	0.2
101.02453	4.4
107.53680	0.2
113.02441	1.4
115.00302	0.2
117.03479	22.7
118.03790	1.3
119.05032	5.7
119.05904	0.2
120.05400	0.4
121.03014	0.3
129.01964	0.2
143.03528	0.2
145.02968	100.0
146.03307	5.6
159.02986	0.4
161.04559	1.2
163.04022	7.3
163.07620	0.2
164.04395	0.5
174.01741	0.3
223.08238	0.5
227.03496	0.4
235.76909	0.2
255.03012	0.9
256.03497	0.2
277.36206	0.2
283.02374	0.9
284.03171	0.6
285.04031	2.5
286.04486	0.4
369.11899	46.2
370.12250	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	369.2199
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
59.01384	0.3
61.98838	0.4
62.96388	0.2
69.31099	0.2
78.24052	0.1
78.95908	100.0
83.97296	0.2
95.96210	1.2
96.96969	33.6
102.79745	0.2
115.59782	0.1
121.46318	0.1
132.01338	0.1
132.17093	0.2
369.22012	16.1
370.22363	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	369.0827
Annotation	5-Hydroxy-6-methoxy-7-O-beta-D-glucosylcoumarin
Peak:m/z	Relative Intensity
54.26963	0.4
59.01374	0.7
60.52730	0.4
61.98816	0.8
68.04124	0.4
69.77998	2.8
71.01379	0.7
73.02924	0.4
81.97019	0.4
82.40199	0.4
91.01880	1.0
98.20619	0.5
101.02467	0.9
119.01433	0.7
131.03542	0.5
139.74760	0.4
163.00383	18.6
164.00780	0.6
177.01875	0.7
189.02161	0.4
190.99864	100.0
192.00610	25.4
193.01376	3.9
205.01433	1.8
207.02991	28.2
208.03311	2.7
235.11868	0.6
237.12399	0.9
253.56410	0.5
322.69781	0.4
354.05884	13.4
354.10129	0.9
355.06219	2.2
369.08255	41.0
370.08481	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63008	0.2
55.01869	0.6
57.03442	0.4
59.01100	0.4
59.01377	5.1
60.01695	0.2
61.98829	6.6
69.03442	0.2
69.37514	0.5
69.37928	1.3
71.01382	3.9
72.99297	0.4
73.02955	1.8
75.00874	0.5
83.01373	1.2
85.02949	3.2
87.00864	0.4
89.02459	0.7
89.03990	0.3
90.08089	0.2
93.03465	0.5
95.01411	0.4
96.80546	0.2
99.00883	0.7
101.02443	3.8
103.17250	0.2
113.02436	1.8
117.03477	23.3
118.03804	1.0
119.05034	5.6
120.05354	0.4
127.03960	0.2
129.01877	0.4
129.74030	0.3
133.02887	0.2
137.02431	0.6
145.02965	100.0
146.03297	5.4
147.04567	0.3
147.80051	0.2
161.04558	0.9
163.04016	7.6
164.04361	0.5
191.05630	0.9
192.05930	0.3
193.06097	0.9
209.04695	0.3
223.08206	0.3
239.05679	0.5
307.13965	0.7
369.11902	46.2
370.12253	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	367.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03467	0.5
59.01377	100.0
60.01712	1.1
61.98824	0.9
62.80968	0.3
66.80823	0.3
67.01900	0.4
71.01385	4.7
72.99321	0.9
73.02945	1.7
75.00848	0.4
83.01408	0.7
85.02955	2.2
87.00906	1.2
89.02449	1.7
93.03453	2.8
93.03901	0.3
95.01395	0.4
99.00910	0.7
101.02452	3.6
113.02442	2.1
119.03549	0.6
119.05035	6.7
124.32841	0.3
129.02013	0.4
134.03792	1.2
145.02991	1.0
159.03130	0.4
161.04578	3.4
163.04018	5.9
164.04375	0.5
167.03558	0.9
173.04617	1.4
177.01993	0.3
191.05618	12.4
192.06178	0.6
193.05077	0.6
204.00693	0.3
307.17615	10.3
308.17914	0.8
367.06509	0.3
367.10620	1.1
367.19006	0.6
368.94717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
57.03435	0.7
58.00583	2.5
59.01377	59.3
60.01703	0.9
60.99297	0.7
61.98827	15.8
67.01876	0.9
67.90422	0.5
69.84616	3.4
71.01382	34.7
72.01740	0.7
72.99313	3.0
73.02955	6.2
75.00862	1.4
78.95878	0.5
81.14557	0.5
83.01394	1.2
85.02966	6.9
86.03310	0.5
87.00896	2.5
88.98821	3.3
89.02451	41.8
90.02785	1.0
93.03468	1.9
93.38207	0.5
95.01385	1.9
96.96935	0.7
101.02459	19.8
103.04025	2.0
109.60764	0.6
113.02460	12.8
113.51986	0.5
114.02817	0.7
116.05056	3.1
117.05579	1.1
119.03513	17.2
119.04349	1.2
120.03872	0.7
120.67785	0.5
121.02890	0.5
123.04523	1.7
129.01924	1.0
131.03580	2.4
133.02965	2.0
143.03525	2.4
144.04568	100.0
145.04900	7.1
146.06102	4.8
147.06601	0.8
149.02420	1.0
149.04498	1.0
151.04054	0.8
155.03514	0.5
160.04092	0.5
161.04593	4.6
162.05702	0.7
173.04559	3.3
177.01935	0.7
179.05679	5.0
188.03546	3.8
191.05612	6.0
195.02985	1.4
207.06569	0.8
223.08372	0.7
225.74039	0.5
225.85468	0.6
239.51721	0.6
250.06573	0.9
259.69815	0.5
279.10822	1.0
291.15967	0.6
308.14069	1.1
309.12018	1.2
309.15591	5.4
333.11945	1.3
368.09122	3.1
368.13608	1.0
369.08356	1.2
378.64948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39994	0.2
51.72927	0.2
52.36027	0.2
59.01386	0.3
59.23203	0.2
61.98828	100.0
62.98532	0.2
69.84115	1.0
102.30943	0.2
106.34434	0.2
111.61521	0.2
169.26611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39898	0.5
59.01382	3.9
61.91895	0.5
61.98831	100.0
68.19811	0.5
69.57550	4.3
73.02949	0.5
88.20267	0.5
98.20648	1.1
113.13102	0.5
178.56728	0.5
203.39139	0.5
204.74025	0.5
227.32620	0.7
242.86351	0.6
272.67429	0.6
325.07257	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91477	0.2
55.01877	3.2
57.03449	3.0
58.00595	0.9
59.01376	22.1
60.01713	0.4
60.99308	0.4
61.98824	1.7
67.01900	1.2
69.03461	0.8
71.01385	31.2
71.05021	0.3
71.61528	0.2
72.01719	0.5
72.99308	1.7
73.02953	13.1
73.06593	0.6
75.00883	0.9
81.03462	0.4
83.01394	7.5
84.01725	0.3
85.02959	17.9
86.00102	0.9
86.03286	0.3
87.00882	2.9
87.01366	0.3
89.02447	4.2
93.03462	4.9
95.01398	2.3
97.02972	1.1
99.00896	6.1
101.02455	37.6
102.02798	1.1
111.00897	1.0
111.04549	1.2
113.02460	13.4
114.02773	0.4
115.03979	0.4
117.03480	0.4
119.03523	0.4
119.05022	1.5
125.02471	1.2
127.04033	0.2
129.01944	1.1
131.03517	1.2
134.03767	3.1
141.01973	0.2
143.03514	1.8
143.07153	0.6
145.02960	0.9
146.28352	0.2
149.04591	0.4
149.06007	0.3
155.03464	0.4
159.03018	2.7
161.04576	13.8
162.04950	0.3
163.04039	1.3
167.03499	0.5
173.04562	2.7
177.00137	0.3
177.01868	0.4
191.05626	15.9
192.06023	0.7
193.05078	2.4
205.03500	0.5
233.06691	0.3
235.11862	100.0
236.12207	6.4
279.10767	0.8
367.10529	1.3
367.16064	15.7
368.12009	0.2
368.16351	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	367.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.5
60.37038	0.8
61.98826	100.0
88.71172	0.9
113.32545	0.9
219.10622	0.9
230.10579	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.5
57.03439	3.7
58.00583	1.1
59.01377	37.6
60.01725	0.5
60.99292	0.8
61.98516	0.7
61.98829	13.2
67.01885	1.2
69.03446	1.8
69.38332	0.8
69.38741	3.5
71.01384	55.9
71.05018	1.0
72.01698	0.9
72.99302	2.8
73.02950	27.1
73.06596	0.7
74.03278	0.5
75.00874	2.0
81.03459	1.3
82.46931	0.4
83.01392	11.4
83.05038	0.5
85.02955	27.9
86.00121	0.8
86.03288	0.6
87.00883	5.2
87.04533	0.6
89.02449	15.0
93.03460	8.1
95.01398	3.9
97.02965	2.0
99.00887	10.9
99.04505	0.7
101.02451	56.4
102.02799	1.3
111.00885	1.6
111.04525	1.2
113.02463	23.2
115.04029	1.3
117.03464	0.7
119.03510	1.9
119.05032	1.0
121.03004	1.0
123.04517	0.4
125.02451	3.4
127.04057	0.5
129.01950	1.7
131.03503	5.9
134.03758	7.5
137.02478	0.7
138.05586	0.6
141.09294	0.6
143.03563	2.7
143.07133	1.0
143.94789	0.4
145.03004	0.8
146.02463	0.8
149.04550	1.8
149.05980	0.6
154.02740	0.5
155.03467	0.5
156.32799	0.4
159.03026	5.2
161.04565	20.9
162.04834	0.6
163.04030	1.2
173.04591	4.0
177.01939	0.5
178.02600	0.5
179.05635	0.6
191.05618	29.7
192.05986	1.4
193.05060	7.1
194.05438	0.7
203.09189	1.2
205.03458	0.5
205.14555	0.7
233.06644	1.7
235.11859	96.1
236.12180	6.3
277.48938	0.4
279.10806	1.4
293.08786	0.8
305.11523	0.8
307.10626	0.5
367.16068	100.0
368.11801	0.8
368.16437	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	366.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98828	100.0
71.01388	0.6
71.33717	0.4
72.99314	0.7
75.00875	0.3
77.81902	0.1
85.03013	0.2
89.02459	0.6
89.20114	0.2
95.20847	0.1
97.06578	0.2
99.00886	0.3
101.02470	0.2
107.05022	0.2
111.08168	0.2
117.01951	0.7
119.41731	0.2
122.03666	0.2
125.02439	0.2
125.06081	0.2
134.03659	0.2
135.03001	0.2
135.04579	0.3
142.44301	0.2
142.99887	0.8
153.05606	0.6
165.59152	0.2
167.07158	0.6
173.00954	0.7
173.61496	0.2
174.01717	0.6
191.05533	0.3
193.05016	0.2
205.08710	0.6
225.07742	0.7
271.08295	0.6
303.11072	0.2
306.12741	0.8
307.17426	0.2
323.11575	0.2
367.10895	0.2
367.21500	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01388	2.2
60.77104	0.3
60.99297	1.5
61.98819	0.3
62.30905	0.3
62.37396	0.3
66.09485	0.2
67.01887	4.8
69.03118	0.3
69.03454	1.6
69.44125	2.5
71.01387	2.1
72.42589	0.3
81.03450	1.2
83.05051	0.7
85.02962	4.4
87.00882	8.2
89.03979	0.3
93.03466	29.3
94.03802	1.1
98.20659	0.5
99.00893	0.6
99.04534	0.8
100.19002	0.3
109.02974	0.6
111.04523	4.8
113.02466	0.6
116.60343	0.3
117.03482	1.9
125.09827	0.3
127.04014	0.9
129.01921	0.6
133.54408	0.3
134.03751	13.2
135.04115	0.8
137.02495	0.5
145.02963	0.5
149.06038	0.7
153.01909	0.3
155.03531	1.0
160.01732	0.3
171.02960	0.3
173.04555	16.0
174.04865	0.6
175.04024	0.6
191.05620	100.0
192.05946	5.3
193.05066	7.0
194.05373	0.5
242.72348	0.3
341.60339	0.3
367.10342	5.9
368.10910	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.3
57.53119	0.2
59.01377	6.8
60.01717	0.2
60.99298	0.2
61.98824	0.5
67.01893	0.8
69.03461	0.3
69.49633	0.7
69.50055	0.4
71.01383	1.4
73.02945	0.3
75.28256	0.1
81.03449	0.3
83.05013	0.3
85.02957	7.9
86.03297	0.2
87.00874	2.0
93.03465	4.6
99.00862	0.2
99.04514	0.3
101.02446	0.4
109.02957	0.5
111.04526	1.3
113.02443	0.2
117.03481	0.2
127.04028	2.1
134.03757	2.4
135.04065	0.2
137.02458	0.3
145.02994	0.5
155.03496	0.3
160.01657	0.3
161.04552	0.3
171.03000	0.6
173.04581	2.0
174.05034	0.2
175.03923	0.2
187.11296	0.2
191.05618	100.0
192.05957	4.2
193.05113	1.2
205.12315	1.6
307.17621	0.7
341.02737	0.2
367.10379	2.4
368.10635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53023	0.2
55.01870	2.9
57.03444	2.2
57.37609	0.2
58.00590	1.1
58.02953	0.2
59.01374	22.0
60.01705	0.2
60.99295	0.4
61.19539	0.2
61.98832	2.2
67.01892	1.0
68.99809	0.3
69.03481	0.4
69.23504	0.2
71.01381	29.8
71.05034	0.7
71.53682	0.2
71.56548	0.3
72.01708	0.4
72.99307	1.3
73.02949	12.4
73.06590	0.4
74.03292	0.2
75.00875	0.7
81.03478	0.5
83.01386	8.0
83.05032	0.4
84.02194	0.3
85.02953	17.1
86.00101	0.7
86.03307	0.5
87.00887	2.7
87.04527	0.3
89.02446	4.3
93.03465	5.0
95.01390	2.0
97.02956	1.0
99.00887	5.6
101.02451	34.7
102.02801	0.8
109.02880	0.2
111.00912	0.9
111.04537	0.7
113.02455	13.3
114.02808	0.4
117.03495	0.5
119.03550	0.4
119.05018	1.4
123.04518	0.4
125.02419	1.3
127.04034	0.4
129.01974	1.4
131.03528	0.7
134.03754	2.2
141.01950	0.4
143.03513	1.4
143.07169	0.5
145.02966	0.8
149.02454	0.2
149.04570	0.3
149.06192	0.3
155.03563	0.3
159.03012	2.2
161.04568	14.2
162.04985	0.4
163.04048	1.0
167.03484	1.7
173.04544	2.9
191.05615	16.1
192.05995	0.6
193.05005	1.4
205.03448	0.3
206.08241	0.8
208.92091	0.2
216.26207	0.2
235.11856	100.0
236.12193	6.2
279.10876	0.8
301.16895	0.2
329.08688	0.3
367.10471	1.5
367.16049	11.5
368.10440	0.4
368.16605	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
57.03439	1.6
57.03697	0.4
58.00604	0.7
59.01376	44.1
61.61663	0.4
61.98813	0.8
69.59863	3.0
71.01382	14.5
71.05035	0.8
72.99307	1.9
73.02940	2.7
75.00876	1.9
83.01385	2.0
85.02951	5.6
87.00898	2.2
87.54324	0.5
89.02448	12.5
95.01410	1.0
99.00895	1.4
101.02449	11.7
101.06070	0.7
113.02445	6.5
115.07683	2.1
119.03525	4.6
123.04524	1.3
123.08136	0.7
125.09738	3.2
127.11306	0.8
129.01872	0.5
131.03471	0.5
155.10793	2.5
157.12340	10.0
158.12694	0.6
159.02924	0.6
161.04538	1.5
167.03474	3.8
171.13881	0.6
177.04066	1.5
179.05602	0.6
185.11790	3.5
187.09761	6.2
187.13344	1.1
188.10130	0.5
191.03481	0.9
199.13452	0.8
203.12881	30.0
204.13170	2.7
245.13815	0.8
305.16122	1.8
329.08752	1.2
365.18164	100.0
366.14682	0.6
366.18521	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	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23403	0.1
57.03431	0.3
58.00596	0.2
59.01376	7.2
60.01697	0.1
60.20963	0.2
61.98832	3.1
62.60592	0.2
65.66177	0.2
67.01859	0.1
68.38832	0.2
69.03440	0.2
69.62018	1.0
71.01382	3.5
71.04993	0.2
72.00903	0.2
72.01719	0.2
72.99304	0.7
73.02946	3.3
73.39497	0.1
74.02467	0.4
75.00868	1.7
83.01387	0.3
85.02961	1.9
87.00868	1.0
88.04040	1.5
89.02439	2.2
93.03468	0.3
95.01425	0.2
96.96989	0.2
97.06572	0.2
99.00882	0.7
99.04510	0.3
101.02454	1.7
103.00377	0.2
103.04015	0.2
111.00884	0.3
113.02460	2.7
115.00367	0.2
115.03973	0.2
115.07623	0.2
116.05077	3.5
116.07162	0.2
117.01920	0.2
117.05563	2.8
119.03525	0.7
121.02948	0.3
125.02412	0.3
127.07680	0.3
129.01930	0.3
131.03688	0.2
132.04561	0.3
134.03717	0.6
139.04059	0.3
141.05568	0.6
143.03520	0.2
143.07098	0.4
144.04546	0.6
146.08263	0.8
149.02423	0.4
159.03198	0.6
160.04051	100.0
161.04420	6.4
167.03514	0.3
173.04640	0.2
177.04070	0.4
179.05641	0.5
185.04631	0.5
189.03987	0.2
189.07661	0.6
191.05669	0.3
193.01628	0.2
193.05026	0.6
203.08279	0.9
204.03020	4.3
204.08554	1.2
205.03357	0.2
218.10336	1.0
249.03596	0.1
249.06133	2.9
263.11319	0.2
286.03262	0.2
289.13126	0.3
307.13861	1.3
323.09839	0.3
349.11539	0.3
366.08322	22.0
366.13895	4.7
367.08511	1.9
367.12506	6.1
367.15964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	1.0
59.01376	31.4
61.98831	28.1
64.57845	0.8
71.01382	16.6
71.60398	1.1
72.99320	2.3
73.02952	2.4
75.00873	1.6
78.95925	1.3
83.01351	1.6
85.02935	4.8
86.00117	3.3
87.00878	17.8
87.01368	1.6
89.02451	10.5
93.03462	1.2
95.01386	1.9
96.96989	2.4
99.00893	1.2
99.04521	1.6
100.38247	0.9
100.57694	1.0
101.02454	10.0
109.02953	0.9
111.00885	1.5
112.04053	1.0
113.02464	7.0
119.03532	3.4
120.04646	1.0
122.06133	24.7
129.01958	1.5
132.04550	1.2
134.06113	3.5
136.04073	2.0
136.07686	15.4
139.04079	1.0
143.03479	1.1
144.04495	1.2
145.05072	2.7
146.06181	1.1
148.07680	1.3
149.02419	1.9
149.04787	1.3
150.05621	80.5
151.05937	3.7
152.07172	5.7
153.07774	1.1
158.06203	0.9
159.03214	3.0
160.04047	21.0
161.04559	5.8
162.05589	3.3
164.07170	3.6
174.05566	1.5
175.06401	3.4
176.07146	7.9
179.05603	1.8
187.06078	0.9
191.05600	1.0
192.06613	1.5
194.08220	2.8
204.02925	1.4
204.06647	3.2
222.07716	1.7
252.08745	2.0
295.13980	3.3
307.10352	5.3
307.13632	1.4
312.10886	37.7
312.14471	1.8
313.11301	4.3
322.09122	1.3
325.93140	0.9
329.79480	0.9
330.11935	100.0
331.12207	10.0
349.12039	1.0
366.08258	4.5
366.14008	3.4
367.06967	0.8
367.12646	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56546	0.3
58.00611	0.5
59.01377	100.0
59.66421	0.3
60.01715	1.0
63.99845	0.4
69.33003	3.5
71.01383	2.9
72.99293	0.4
74.82495	0.3
75.00864	0.5
78.65278	0.3
84.23378	0.3
85.02969	1.6
89.02452	2.4
95.01402	0.5
101.02462	2.3
101.27057	0.3
108.58186	0.3
113.02474	3.5
119.03527	1.3
143.03482	0.4
143.10791	72.7
144.11121	3.9
157.12379	2.1
161.04599	1.8
161.06003	0.6
185.11833	1.5
196.37373	0.3
197.11754	0.5
278.97385	0.3
305.16000	2.2
329.89587	0.3
356.51224	0.4
357.73721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03468	0.3
59.01378	100.0
60.01722	1.3
61.98831	1.4
69.65453	2.2
71.01386	8.1
72.67227	0.3
72.99303	0.5
73.02956	2.0
75.00871	0.7
82.38268	0.3
83.01406	1.0
85.02943	2.5
87.00907	0.9
87.04522	0.4
89.02448	6.4
89.02995	0.4
95.01392	0.8
97.06602	0.3
99.00877	0.4
101.02460	6.0
103.04015	0.6
111.08202	0.4
113.02472	2.6
119.03534	3.2
143.03490	0.6
161.04590	2.9
161.32156	0.3
164.03671	0.4
173.08217	0.5
179.05615	1.7
185.11919	0.5
191.87106	0.3
203.12955	0.9
217.10829	0.8
289.12030	0.4
305.16022	3.3
305.18893	0.3
306.16586	0.4
365.14279	0.7
365.18274	6.6
366.18762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
55.59810	0.4
57.03437	1.6
58.00589	1.0
59.01375	43.5
59.46518	0.4
60.01701	1.1
61.98816	0.9
68.87303	0.4
71.01380	15.4
71.58657	0.5
72.99305	1.4
73.02943	2.0
75.00858	1.5
83.01376	2.1
85.02940	5.4
87.00885	1.7
87.04519	0.8
87.24152	0.5
89.02451	10.0
91.65847	0.5
95.01385	1.0
99.00889	1.8
101.02448	11.2
101.06126	0.6
111.00948	0.5
113.02453	6.7
113.06229	0.4
113.09692	0.5
115.07691	2.2
119.03508	4.6
123.04514	1.2
123.08138	0.8
125.02411	0.6
125.09731	2.0
127.11308	0.8
129.01997	0.6
129.05582	0.6
139.11255	0.8
141.44870	0.4
145.03043	0.5
155.10791	2.2
156.11174	0.5
157.11168	0.9
157.12352	11.2
159.03136	0.7
161.04529	1.7
167.03497	4.3
171.13914	0.6
177.04013	0.7
179.05608	0.6
185.11813	3.6
187.09735	5.3
187.13397	1.2
191.03532	1.1
199.13422	1.2
203.12868	30.1
204.13231	2.1
213.00200	0.4
245.13895	1.3
305.16006	1.4
329.08682	2.6
365.18170	100.0
366.18451	10.5
366.22672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98831	14.6
69.42140	4.8
77.03970	0.5
83.01381	0.4
93.03446	1.0
97.02962	2.8
108.24477	0.4
112.85672	0.5
121.02975	3.8
137.01434	0.9
137.02469	15.9
165.01944	100.0
166.02301	5.1
297.93225	0.5
301.03546	34.0
302.03860	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	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81889	0.3
59.01377	1.8
61.98831	100.0
63.29822	0.3
69.50478	0.5
69.50883	2.4
71.01389	0.4
98.19875	0.7
121.02954	0.4
136.09534	0.3
183.13937	0.7
183.72324	0.4
213.01767	0.4
247.07675	0.3
267.56454	0.4
272.84076	0.4
349.14331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	13.3
58.02995	4.6
59.01381	49.5
67.01933	4.2
68.99831	5.4
69.68700	26.5
70.39129	3.7
71.01380	65.2
72.99316	9.3
73.02959	6.9
73.30824	3.6
78.95918	17.0
83.01405	10.5
83.05000	4.6
85.02958	33.9
85.06590	3.7
87.00889	25.2
88.04065	8.5
89.02451	19.1
96.96016	7.0
96.96959	24.1
99.00895	34.5
100.04047	9.2
101.02448	13.7
105.49172	3.4
111.00901	26.3
112.98813	100.0
113.02464	13.0
115.00413	5.4
124.98813	10.7
129.01968	27.1
130.05046	6.0
142.99873	86.7
160.04086	13.7
160.82855	4.5
173.00922	96.1
173.04623	7.3
179.05472	4.4
185.00954	6.2
186.07713	12.3
191.05615	28.0
231.07413	4.6
248.93814	4.6
249.91019	4.3
267.07242	48.4
268.07690	5.3
365.10715	4.8
366.14038	27.2
387.33090	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	365.0878
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
57.03439	1.1
58.64633	0.4
59.01379	13.7
61.98833	6.3
69.23941	0.4
70.74721	1.3
71.01381	5.9
72.99306	1.7
73.02950	1.7
75.00885	3.9
76.89455	0.4
83.01358	0.5
85.02954	4.6
87.00869	1.8
88.34979	0.4
89.02441	2.7
95.01390	1.2
98.43491	0.4
99.00893	2.6
101.02457	2.0
101.06125	0.4
113.02473	4.2
115.00386	0.4
115.07665	21.1
116.08033	0.5
117.01945	0.6
118.06273	0.4
119.03482	0.7
129.01991	0.6
129.04665	0.5
145.02977	1.6
147.04561	0.7
158.03752	14.8
159.04547	6.2
160.04898	0.5
161.04652	0.7
171.04585	2.2
171.05815	0.4
173.04649	0.4
175.02496	0.6
175.03960	0.7
187.09843	0.7
201.01921	1.0
201.05591	2.2
202.02730	100.0
203.03207	9.0
203.12814	0.5
213.05562	2.9
227.03416	0.4
231.04825	0.6
242.74792	0.4
245.04547	0.9
249.06189	3.4
275.05585	2.5
276.06055	0.5
299.43210	0.4
305.16077	1.4
347.13452	1.0
365.08780	53.7
365.14420	17.8
365.18378	2.1
366.09134	6.6
366.14716	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	363.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67366	0.4
57.03458	0.7
59.01371	4.7
59.16935	0.4
65.99840	1.7
69.29340	5.3
69.29657	0.5
71.01383	1.6
73.02934	0.4
74.82797	0.4
75.86231	0.4
82.02989	36.7
82.57289	0.5
83.01385	2.9
83.03324	0.8
85.02946	1.0
89.02462	0.8
92.05048	0.6
94.02973	2.5
99.00883	0.7
101.02471	1.0
105.02200	0.7
108.04510	0.8
110.02515	0.8
113.02492	0.5
118.03012	0.7
120.00914	0.6
120.04570	1.7
121.01687	1.2
122.02489	1.4
122.06115	4.3
124.54302	0.4
129.01939	0.6
136.04062	25.7
136.07709	1.1
137.04425	1.2
137.09810	0.5
138.05565	0.6
150.05609	1.1
152.03532	1.6
155.10780	8.6
160.07687	1.8
161.04709	0.7
161.07201	1.7
162.02043	0.8
162.05626	0.9
164.03554	42.5
165.03889	2.6
173.03474	0.6
174.09259	0.8
174.77271	0.5
176.07158	1.6
177.04059	0.6
177.10384	0.7
178.08754	1.2
180.03015	1.6
182.04576	2.2
185.11855	2.1
186.05594	0.6
188.07152	1.1
194.04588	20.8
195.05359	7.4
195.56577	0.5
196.06163	24.6
197.06517	1.6
199.09766	4.1
200.10887	0.5
201.09003	0.5
202.08728	2.5
203.08310	0.7
204.06720	2.5
215.05934	0.6
215.08131	0.6
216.06708	0.9
216.10246	0.6
217.06189	1.2
219.11356	0.7
226.08643	0.7
227.05908	0.6
227.08235	0.7
228.06694	0.8
229.06027	2.3
231.07751	2.6
242.08296	0.8
243.04053	0.8
243.07764	0.7
243.11328	0.6
244.09764	6.6
245.09395	3.1
254.06998	0.7
258.06384	3.1
259.07178	2.6
259.10855	2.1
269.09290	2.1
270.07718	4.7
271.07272	4.1
272.07880	1.6
287.10352	100.0
288.10760	9.3
291.09836	2.6
293.85428	0.5
313.08356	2.8
319.12991	3.3
324.08820	0.6
331.09332	48.0
332.09656	5.1
363.11954	8.2
363.16574	3.6
364.12299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.9
56.77086	0.8
57.03446	2.2
59.01377	46.7
60.01735	1.2
61.98822	2.0
67.21803	1.0
69.58728	5.0
69.59161	2.5
71.01380	15.9
72.01725	0.8
72.99335	1.0
73.02951	67.0
74.03294	1.5
75.00898	1.6
79.05533	1.9
83.01378	1.9
85.02953	6.9
85.06578	0.9
87.00883	7.8
89.02453	9.3
95.01385	1.6
95.05025	2.6
97.03014	1.2
97.06599	58.1
97.69550	0.8
98.06922	2.1
99.00883	2.0
99.04535	1.2
101.02454	10.0
103.03970	1.0
104.00858	0.9
113.02453	5.8
117.01961	1.2
119.03510	4.1
119.05051	1.4
127.07664	1.0
129.01976	1.1
129.05525	1.1
137.09760	1.0
139.07655	2.1
141.05602	52.9
142.05907	2.9
143.03482	1.1
147.03017	2.3
147.04543	1.4
153.09238	21.5
154.09534	1.2
161.04570	4.9
163.04033	1.5
165.05612	2.3
171.10278	12.8
173.00951	1.0
174.01672	6.4
177.04057	1.3
179.05582	1.0
183.10268	1.8
195.05055	1.1
197.08183	5.2
199.09708	1.2
201.07764	1.3
201.11406	2.4
211.06204	1.6
213.05556	1.9
215.09248	100.0
216.09642	5.9
241.05093	3.6
256.07462	2.1
287.10287	1.0
303.14423	1.4
315.08710	2.9
345.15631	1.2
361.00980	1.4
363.12881	51.0
363.16568	22.1
364.12973	5.4
364.16913	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.9
59.01377	9.1
61.98804	0.5
67.02492	0.5
69.03450	1.3
69.43137	5.0
71.01385	7.5
72.99312	1.0
73.02956	4.6
75.00877	18.4
83.01395	0.8
85.02956	6.8
87.00877	5.4
89.00400	0.5
89.02454	2.5
95.05038	0.6
97.02940	0.9
99.00880	2.3
101.02454	2.3
103.41160	0.5
113.02467	0.8
113.09729	1.4
119.03538	0.6
125.09721	0.6
129.01953	6.5
135.08063	0.7
137.09734	6.4
141.01958	0.6
145.47745	0.6
155.10791	100.0
156.11121	5.3
159.03008	3.5
177.04060	28.4
178.04381	1.0
185.11838	36.9
186.12215	2.5
195.03003	1.0
199.09758	54.6
199.13528	1.5
200.10085	3.6
284.03845	0.5
344.77008	0.5
363.16583	89.4
364.16876	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	363.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08899	0.6
53.39961	0.7
56.45832	0.7
57.03447	3.8
57.10160	0.6
58.00589	2.5
59.01375	100.0
60.01736	1.0
61.98829	11.2
63.69756	0.7
69.44542	6.2
69.89850	0.6
71.01379	23.5
72.99317	2.2
73.02948	5.3
75.00861	1.2
78.78799	0.6
82.02986	11.4
83.01398	2.5
85.02950	5.7
87.00866	1.4
89.02449	19.6
94.02998	0.7
95.01378	0.8
97.02933	1.0
97.06612	1.0
99.00905	1.7
101.02452	17.5
101.03107	1.2
102.02822	1.0
103.38690	0.6
109.06584	0.8
111.08121	0.7
113.02455	8.6
113.06104	0.9
117.03496	1.3
118.36072	0.7
119.03506	7.4
119.04984	3.6
122.02518	0.8
122.06120	1.0
123.08204	1.0
127.07686	2.0
131.03523	0.8
136.04059	8.6
139.11295	0.9
141.05609	1.1
141.09181	0.8
143.03513	1.1
144.19107	0.8
145.02953	4.7
153.09276	1.1
155.10794	2.9
159.03014	0.8
161.04512	3.3
163.04056	4.3
164.03531	12.5
171.06677	1.2
171.10281	1.4
176.07259	1.0
177.04063	1.1
178.08748	1.2
178.10184	0.7
179.05650	2.3
181.07137	1.0
183.10263	5.0
194.04553	6.2
195.05275	2.4
196.06143	7.3
199.09827	1.8
201.02235	0.7
201.11383	1.6
202.08687	0.8
215.09341	3.4
215.11157	0.7
231.07863	1.0
231.11435	1.0
244.09703	2.1
258.06403	1.2
259.10895	1.0
265.07227	1.2
270.07547	1.2
271.07220	1.7
272.08124	0.7
287.10349	28.6
287.13580	1.4
288.10764	3.3
291.09973	0.9
303.14481	0.8
319.12924	1.7
325.09137	1.0
327.10791	2.9
331.09341	14.4
332.09427	1.9
363.12552	6.0
363.16577	98.3
364.12567	1.5
364.16901	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	363.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
58.80892	0.2
59.01376	5.7
61.98830	100.0
62.98549	0.3
69.84995	1.4
71.01401	1.3
73.02962	0.7
75.00868	0.3
77.34379	0.2
85.02972	0.6
89.02470	0.8
93.00835	0.2
97.06576	0.3
101.02460	0.7
102.54106	0.2
106.76805	0.2
113.02461	0.7
114.18664	0.2
119.03545	0.5
120.87663	0.2
121.48573	0.3
138.01996	0.5
151.10773	0.2
177.04128	0.4
183.10426	0.5
184.09816	0.4
185.08295	0.3
201.11455	0.4
215.09312	0.6
223.00140	0.2
230.92911	0.2
268.47806	0.2
287.10428	0.3
298.90771	0.3
363.12949	0.5
363.16672	4.1
364.16885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77467	0.9
53.76653	0.7
54.90471	0.8
57.03444	1.4
59.01377	20.7
65.99833	1.8
69.78199	1.0
71.01376	12.4
71.58659	1.4
72.99312	2.4
73.02939	5.9
75.00866	1.7
78.36131	0.9
78.91880	1.9
82.02984	36.5
83.01383	4.4
83.04981	0.8
84.10591	0.9
85.02950	5.3
87.00900	1.9
89.02433	6.1
94.02994	2.2
95.01413	1.6
97.02951	0.9
99.00905	1.1
101.02457	6.7
105.02241	1.2
110.02528	1.6
113.02432	5.0
119.03522	3.1
120.04550	1.5
122.02477	2.2
122.06149	4.4
127.07663	2.9
130.06737	0.8
134.02614	1.1
136.04044	28.1
136.05034	2.0
136.07620	1.1
137.04402	1.5
137.09746	1.1
138.05630	1.5
139.11307	1.5
141.09196	1.1
150.05618	1.1
152.03529	3.0
155.10786	4.8
159.03012	1.1
160.07668	1.2
164.03540	44.0
165.03822	2.1
176.07129	1.6
178.08755	1.1
180.02983	1.9
182.03152	0.9
182.04605	1.5
183.10345	4.5
194.04587	26.0
195.05278	7.2
196.06160	26.1
197.06543	1.9
199.09715	2.5
201.11363	5.4
202.08801	2.1
204.06601	1.3
217.06267	1.3
225.10434	0.8
226.08641	1.0
228.06685	1.3
229.06201	1.6
230.07059	1.1
231.07695	3.0
242.08063	1.5
243.04160	1.7
244.09785	7.6
245.09361	3.4
257.05750	1.1
258.06454	2.2
259.07114	2.0
259.10800	1.9
267.07169	1.7
269.09039	1.3
270.07745	5.6
271.07129	4.5
272.07944	1.8
277.09573	1.0
287.10352	100.0
288.10663	8.3
291.09824	2.2
313.08179	1.9
319.13120	3.0
331.09329	52.4
332.09775	5.2
363.12180	12.9
363.16528	48.7
363.20105	0.8
364.12469	2.0
364.16812	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	362.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27110	4.2
55.16851	4.0
59.01367	8.9
59.46229	3.9
61.98521	7.9
61.98825	100.0
79.62817	4.0
123.18392	4.0
123.19400	3.9
211.68301	4.4
323.74860	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00603	0.2
59.01374	2.1
60.30227	0.2
61.98829	100.0
66.59020	0.2
70.83168	0.4
70.83502	0.3
71.01387	1.5
72.99330	0.3
73.02946	0.6
74.02491	0.2
78.95901	1.1
81.03457	0.3
81.17498	0.2
83.01447	0.2
85.02958	0.9
87.00863	0.4
89.02445	1.0
95.06731	0.2
96.96964	1.7
97.06597	0.4
99.00856	0.3
101.02467	0.7
104.03570	0.3
106.14627	0.2
109.02955	0.2
113.02448	0.5
115.92102	0.2
119.03552	0.4
119.05048	0.2
121.02964	0.4
134.36993	0.2
135.22812	0.2
138.01988	0.4
139.02275	0.4
139.04007	0.3
139.07805	0.2
141.01929	0.3
141.04597	0.2
141.05609	0.6
143.03596	0.2
144.44469	0.2
153.01996	0.4
156.44261	0.2
190.93115	0.2
215.09198	0.5
303.09949	0.2
315.09268	0.2
363.07190	0.7
363.12891	0.7
363.16876	0.6
382.53830	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03440	1.3
58.00616	1.1
59.01377	100.0
60.01709	1.3
61.98829	27.2
67.01890	8.8
68.99802	0.8
69.03461	0.9
71.01384	28.6
71.64207	0.5
72.01726	1.0
72.99318	2.9
73.02942	3.3
75.00888	3.1
76.23090	0.5
78.95911	4.8
83.01411	2.1
85.02948	5.2
86.34085	0.5
87.00897	3.2
89.02454	30.2
89.22399	0.5
90.02773	0.6
92.99841	1.0
93.03486	1.5
95.01390	6.8
96.96969	9.7
97.02963	0.9
97.06607	1.6
98.02537	0.8
99.00912	1.8
101.02451	12.6
102.02792	0.9
109.03005	0.9
111.00899	7.4
111.04512	0.7
112.04076	1.9
113.02468	10.7
118.51296	0.5
119.03509	11.6
119.04304	0.6
119.05045	1.2
120.05373	0.6
121.02968	3.4
122.06135	21.2
123.00925	1.6
123.06507	0.8
124.01701	0.8
124.04070	1.9
125.02487	2.9
127.04090	0.6
129.01985	2.4
131.03564	2.0
136.98836	0.7
137.02490	3.4
138.05608	0.7
139.00391	12.3
139.04054	1.5
139.07623	1.0
140.07222	1.6
141.00156	0.5
141.01941	0.7
141.05638	2.2
143.03542	2.7
149.04590	1.0
149.99640	1.1
152.07193	0.6
153.01884	0.5
159.03003	0.6
161.04547	6.7
163.04047	1.6
164.98358	1.0
166.05153	1.7
166.31886	0.4
166.99907	1.6
168.00703	3.3
169.01405	2.5
177.04063	6.0
179.05598	13.6
181.01508	1.5
181.07100	0.6
182.99364	14.9
183.01013	1.0
183.06639	0.7
184.06169	5.7
195.05115	1.1
215.09282	2.0
301.49454	0.5
329.05350	1.2
331.06934	1.2
343.92657	0.5
362.07245	1.0
362.11026	4.6
362.15454	4.8
363.05554	2.9
363.12891	2.8
363.16772	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.8
57.03437	7.3
58.00602	1.1
59.01377	54.1
60.01731	1.2
61.98827	23.2
69.03453	2.4
70.24394	1.2
70.45007	2.2
70.45372	2.6
71.01382	40.4
72.99310	4.8
73.02946	6.1
75.00876	24.3
78.95918	1.8
83.01369	5.2
84.04568	1.5
85.02956	23.8
85.67431	1.1
86.03281	1.9
87.00880	14.8
89.02455	15.2
90.02796	1.1
93.03455	3.2
94.02995	1.7
95.01427	2.0
96.96971	3.9
97.02969	4.2
97.06590	2.6
98.20033	1.0
99.00880	8.3
101.02450	14.4
101.97936	1.0
110.02497	1.3
111.00909	2.4
112.04056	28.1
113.02486	6.9
114.02756	1.4
115.04076	1.1
119.03509	3.7
119.05035	1.9
121.02975	5.0
122.06119	4.0
123.04522	1.6
124.04058	26.3
125.04414	1.6
129.01962	20.4
137.02438	3.0
138.05547	1.8
139.00398	1.3
139.04033	2.1
140.07210	11.1
141.05611	3.7
141.35384	1.1
159.03009	5.6
161.04584	3.3
163.04028	2.3
166.05107	25.1
167.05403	1.4
177.04063	100.0
178.04364	4.0
179.05629	1.8
183.06679	1.4
184.06163	75.5
185.06500	4.1
195.05103	15.4
215.09222	2.7
226.07240	1.3
228.69576	1.1
251.55743	1.2
303.07242	1.2
303.10812	2.5
313.75388	1.4
362.10889	88.1
362.15359	26.1
363.11780	8.3
363.16321	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	362.073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19296	0.4
59.01381	11.3
61.98830	100.0
63.00513	0.3
65.45301	0.4
69.79117	0.7
69.79510	2.1
70.44156	0.4
71.01382	7.1
72.99305	0.7
73.02950	3.7
75.00898	0.6
78.95935	0.6
83.01395	0.7
85.02975	2.7
87.00860	0.8
89.02459	4.3
93.03466	9.4
93.04030	0.7
94.03780	0.7
97.06612	2.6
99.00897	0.7
101.02475	3.8
109.03005	0.4
113.02457	2.6
113.06130	0.4
119.03510	2.3
119.05058	1.2
125.06153	0.4
129.01958	0.5
137.02463	33.9
138.02814	1.4
139.07672	0.4
141.05621	2.4
153.09258	1.3
157.08755	0.4
159.03021	0.4
161.04578	1.5
163.04050	1.2
173.04608	0.7
177.04085	0.6
179.05652	0.6
191.05815	0.5
199.09744	0.4
200.10059	0.6
201.11438	1.0
215.09230	4.3
215.10768	0.4
253.64383	0.4
299.07742	4.9
362.08600	0.5
362.15356	5.7
363.12909	3.8
363.16632	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	362.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
56.66875	0.3
56.76388	0.3
57.03453	0.7
59.01380	9.9
60.01731	0.4
61.01828	0.5
61.98831	100.0
67.01897	0.9
68.99797	0.4
69.03441	0.4
70.02499	0.8
70.02903	1.3
70.85542	0.4
71.01387	8.3
72.99323	0.8
73.02953	1.8
74.34675	0.3
75.00890	1.8
78.95912	2.6
83.01402	1.2
83.05042	0.3
85.02961	4.0
86.03383	0.4
87.00889	0.8
89.02448	3.9
91.01917	0.7
93.03483	2.6
95.01398	0.8
95.05046	0.4
96.96977	3.4
97.06605	1.0
98.19974	0.6
99.00918	1.3
101.02448	3.4
107.05058	0.4
108.02265	0.4
109.02964	0.6
111.00904	2.1
111.04565	1.0
112.01239	1.2
113.02448	2.8
114.02814	0.8
118.03043	0.5
119.03533	1.3
119.05042	1.2
120.05381	0.5
121.02981	7.2
123.04581	0.5
124.01699	0.6
125.02424	0.3
129.01968	0.5
135.04556	0.5
136.07692	0.5
137.01585	0.3
137.02461	2.0
137.06163	0.5
138.06485	0.3
139.04008	3.0
139.07709	0.6
140.04398	1.5
140.07230	0.4
141.05620	1.4
143.03557	0.4
145.03033	0.4
146.02519	2.0
147.02904	0.5
149.02496	1.1
159.03023	0.4
161.04559	1.6
163.04079	2.1
164.04529	0.4
177.04082	0.5
179.00076	0.6
179.05611	0.8
180.00201	0.8
181.00375	0.5
181.07259	0.4
183.06746	0.4
199.09819	0.4
201.11302	0.5
215.09344	1.2
221.06796	0.5
249.06178	2.2
250.06482	2.4
251.06718	0.7
303.10892	0.5
362.07916	3.6
362.15326	1.3
363.08945	1.0
363.12994	2.9
363.16727	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	362.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60740	0.4
59.01373	4.8
61.98831	100.0
63.23691	0.4
66.85967	0.3
68.90983	0.4
70.87557	1.1
71.01394	2.3
73.02967	1.0
75.00871	0.4
78.95921	2.3
81.13248	0.4
85.02952	1.0
85.63484	0.5
89.02464	1.3
93.03498	0.6
94.07439	0.4
96.96969	4.4
97.06608	0.9
99.00891	0.5
101.02441	1.0
109.32933	0.4
113.02437	0.8
119.03506	0.6
119.05087	1.1
124.01655	0.4
124.06348	0.4
137.02470	3.8
138.05756	0.4
139.04025	2.1
139.07600	0.5
140.04375	1.4
141.05595	0.7
161.04562	0.5
163.04060	1.5
164.04372	0.7
180.00122	0.5
195.17767	0.4
215.09399	0.5
241.01166	0.4
278.20645	0.4
289.02280	0.4
299.07785	0.8
299.15125	0.5
362.07538	0.8
362.15106	1.3
363.08258	0.4
363.13025	1.6
363.16711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64486	0.3
59.01379	3.0
61.70343	0.3
61.98830	100.0
62.14616	0.3
69.62096	2.4
71.01373	1.5
72.99316	0.6
73.02937	0.5
75.00880	0.5
80.64259	0.3
85.02972	0.7
89.02459	1.0
93.03466	3.3
99.00894	0.4
101.02485	1.2
113.02464	0.7
137.02464	7.1
138.02878	0.4
155.10817	1.1
173.53244	0.3
183.10406	0.5
199.09778	1.2
200.10153	0.5
201.11427	0.7
362.11053	0.7
362.15341	4.4
363.16595	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	361.1506
Annotation	1-O-beta-D-Glucopyranosyl-4-epiamplexine
Peak:m/z	Relative Intensity
55.01865	2.3
57.03444	4.2
58.00583	1.4
59.01377	44.4
60.03104	0.5
61.98827	7.1
70.08981	1.7
70.09389	1.0
71.01383	40.1
72.01705	0.7
72.99300	3.8
73.02946	8.8
75.00878	8.4
78.95921	1.1
80.01020	0.5
81.03482	0.6
83.01393	5.6
84.04565	0.7
85.02435	1.3
85.02954	18.8
86.00071	0.7
87.00879	4.9
89.02454	20.0
91.01903	1.6
95.01369	3.1
96.96968	2.1
97.02934	1.6
98.19989	0.9
99.00887	5.3
101.01785	1.3
101.02456	24.2
109.02965	1.2
111.00883	3.2
111.01996	1.5
112.04052	8.9
113.02456	12.2
114.02818	0.7
119.03513	7.9
119.05025	4.0
122.06081	0.9
123.00890	0.9
124.01676	1.4
124.04041	9.0
125.02443	0.9
125.06256	0.7
127.11350	0.6
129.01956	5.1
131.03476	0.8
135.00865	1.1
137.02422	1.5
137.06093	0.9
137.09747	1.1
138.01927	0.6
139.04013	6.3
140.07208	3.2
143.03500	1.0
149.04517	0.7
153.09251	0.9
155.01781	0.8
159.02998	2.2
161.04584	3.2
163.04013	4.7
166.05119	7.0
177.04063	34.2
178.99876	2.9
179.05609	2.2
181.05077	1.2
181.07181	0.7
181.08656	2.9
184.06157	19.6
195.05083	4.5
197.00963	2.0
198.07843	0.6
199.09662	1.1
249.06171	2.4
272.65710	0.5
299.24496	0.6
342.54016	0.6
361.07599	5.5
361.15018	100.0
362.10876	31.4
362.15372	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	361.2383
Annotation	(plusmn)19,20-DiHDPA
Peak:m/z	Relative Intensity
56.18587	0.2
57.03423	0.2
59.01373	0.9
60.99294	0.4
61.98819	0.5
62.51564	0.2
71.05027	0.3
74.13736	0.2
82.26154	0.1
83.05020	0.3
109.06613	0.3
116.41973	0.2
123.08154	0.2
257.19168	0.2
269.19131	0.4
279.17627	0.2
281.22885	0.3
287.16351	0.2
295.20554	0.3
297.22189	1.8
299.23892	0.3
313.21878	0.6
315.23236	3.7
316.23727	0.5
317.24896	0.3
335.37466	0.2
343.22775	6.5
344.23267	1.0
359.22284	0.4
361.23828	100.0
362.24167	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	362.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57915	0.3
59.01373	8.5
61.98827	100.0
67.01876	0.6
71.01382	2.5
71.10894	0.8
72.99326	0.4
73.02942	0.8
75.00880	0.6
78.95901	2.0
85.02964	1.0
85.32123	0.3
89.02444	1.9
93.03452	0.4
94.20155	0.3
95.01413	0.4
96.96954	3.7
99.00875	0.5
101.02465	1.4
111.00892	0.7
112.04067	0.4
113.02449	1.0
119.03519	1.2
120.05418	0.3
122.06158	0.9
123.00909	2.0
124.01219	1.0
137.02444	1.2
138.03210	1.0
139.00389	1.3
139.03702	1.1
140.04381	0.5
141.05592	0.4
161.04622	0.8
172.88200	0.3
177.04079	1.2
179.05627	0.8
182.99348	0.8
183.06676	0.3
184.06181	1.2
186.86024	0.3
195.05103	0.6
200.14151	0.3
253.39038	0.4
302.09631	1.1
343.70261	0.3
343.75259	0.3
362.11047	0.9
362.15268	0.6
363.12857	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
58.00594	0.7
59.01378	3.5
71.01390	2.4
73.02953	3.0
81.03458	0.4
85.02962	1.8
87.04523	3.5
89.02433	0.4
95.01400	0.6
97.02942	0.5
99.91755	0.3
101.02440	2.6
101.82229	0.3
109.75997	0.3
113.02471	2.0
135.08182	2.0
137.09732	11.3
139.11298	0.9
151.11240	0.5
153.09230	8.6
154.09549	0.6
155.10793	94.4
156.11128	6.5
161.04599	0.5
163.06183	0.4
169.12376	2.0
177.04068	0.5
181.07149	1.0
181.08710	1.8
197.08192	1.5
199.09760	100.0
200.10101	6.4
213.11366	1.6
241.10786	8.8
241.13153	0.7
242.11102	0.9
271.11810	0.8
301.12921	3.2
308.00983	0.4
343.38406	0.3
361.15024	4.9
362.15439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45731	0.4
57.03440	1.0
58.00576	0.9
59.01381	4.7
60.82177	0.4
65.96308	0.4
69.59308	2.6
71.01378	4.3
73.02953	4.3
75.00895	0.6
85.02955	2.2
87.04513	5.7
89.02449	1.1
93.03452	1.9
97.02971	1.1
98.20599	1.0
101.02444	8.5
113.02468	1.2
119.03537	0.6
125.02467	0.5
133.10234	0.6
135.08183	1.8
137.09734	17.5
138.10013	0.8
139.11296	1.1
143.03474	0.7
151.11284	0.6
155.10788	98.9
156.11098	5.4
167.10774	0.5
169.12352	3.8
173.04543	1.3
177.04106	0.7
181.08708	4.4
191.05635	0.6
197.31981	0.4
199.09758	100.0
200.10100	6.8
211.09631	0.5
213.11324	4.9
229.04749	0.6
241.10800	21.2
242.11171	1.5
253.10762	0.8
271.07236	1.1
271.11850	2.4
271.57498	0.5
301.12921	12.5
302.13312	1.4
315.08740	1.2
327.31616	0.5
330.11017	0.9
361.15057	2.9
361.56583	0.5
362.15390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.0
61.98830	12.3
64.52349	0.4
69.25560	0.4
69.78276	2.0
71.01383	4.6
72.97524	1.9
73.02950	1.3
73.47276	0.5
75.00863	0.6
78.95908	44.3
83.01395	0.7
84.04543	0.4
85.02957	2.0
87.00889	0.6
89.02454	2.5
94.03001	2.8
94.80909	0.4
95.03318	1.0
96.96969	100.0
98.02493	0.9
98.19953	0.7
99.00929	0.9
101.02476	2.3
111.00878	0.7
112.04028	1.1
113.02454	1.7
119.03503	0.8
119.05029	1.3
121.03004	0.9
123.00891	7.1
124.01668	1.5
124.04073	0.6
125.02499	0.6
129.02010	0.5
134.97621	0.5
137.02415	1.2
137.05997	0.6
138.01985	7.4
138.03227	5.3
138.05536	0.6
139.02388	4.3
139.04007	3.6
140.07268	0.6
143.03452	0.5
149.06078	0.5
151.04012	1.0
153.01939	1.4
153.77737	0.4
154.02327	0.5
155.02434	0.6
161.04552	2.9
163.04036	2.0
177.04079	1.2
178.99931	0.7
181.05064	1.6
184.06166	3.0
193.05061	0.4
195.05084	0.5
197.00836	0.6
199.09827	0.6
245.70950	0.5
301.09485	2.8
302.09747	0.5
361.07236	0.9
361.15021	3.0
362.11093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79574	0.4
55.01881	0.5
55.14705	0.4
57.03447	6.3
59.01376	9.8
59.78966	0.4
61.98824	0.5
68.99822	0.7
69.03452	4.9
69.17915	0.4
69.60796	1.9
69.61215	1.4
71.01378	12.1
71.05004	0.9
72.99306	3.3
73.02940	0.8
75.00875	34.8
83.01391	1.2
84.02173	1.6
85.02956	11.0
87.00883	10.2
87.04520	0.8
89.02463	3.5
93.03479	0.5
97.02959	1.4
99.00876	4.7
101.02435	2.2
109.06606	0.5
111.00864	1.0
111.04544	0.5
111.08180	1.4
112.70204	0.4
113.02428	0.6
113.06103	0.6
117.01910	0.7
119.03506	0.7
119.04985	0.6
123.08222	0.8
129.01955	11.5
130.02283	0.6
137.06071	0.6
139.11308	6.8
141.01990	0.7
145.02994	0.7
153.09236	5.4
155.10744	0.7
159.02994	3.2
177.04053	58.5
178.04388	2.5
181.07103	0.8
183.10274	25.1
184.10617	1.0
195.05104	1.5
197.08209	1.9
199.09763	0.9
210.86362	0.4
263.83105	0.5
266.21936	0.5
308.36124	0.5
325.13074	0.6
360.71011	0.6
361.15021	100.0
362.15381	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	361.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.9
59.01377	37.6
61.98832	43.8
65.03948	3.8
67.01885	3.5
69.33604	9.2
69.34040	8.0
71.01382	22.3
72.99352	2.7
73.02949	3.0
75.00876	9.4
80.25321	1.8
81.73206	1.8
83.71770	1.9
84.41222	1.7
85.02949	5.6
86.03240	1.8
87.00861	5.4
89.02443	13.7
91.01902	44.9
92.02209	3.6
93.03469	3.4
97.02972	2.8
101.02458	10.9
107.23000	2.0
109.02968	13.5
111.00893	5.3
113.02452	6.2
119.03606	4.5
119.05038	46.1
123.03286	3.4
125.02455	2.2
129.01944	2.6
133.82393	1.7
135.00909	21.0
137.01454	3.1
137.02466	25.8
138.05617	7.8
139.04065	2.8
139.05983	6.6
151.03993	2.6
153.01959	29.7
155.02409	1.8
161.04521	3.5
163.04024	64.0
164.04391	3.9
177.04048	5.7
178.99872	97.6
180.00203	10.1
181.00385	6.4
181.07187	10.5
181.08699	4.0
195.05101	8.0
196.05472	4.8
197.00923	58.0
198.01242	3.0
199.09715	9.0
203.07152	2.1
294.82623	1.8
299.07748	7.4
343.06763	7.0
361.07599	100.0
361.14719	38.2
362.08139	9.4
362.15240	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	361.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78202	0.6
54.55837	0.6
55.01849	0.8
57.03457	0.9
59.01092	1.1
59.01375	17.0
61.98830	30.0
65.03973	3.1
67.01896	1.9
69.03422	0.6
69.87328	3.8
71.01385	11.9
72.99302	1.1
73.02959	3.2
75.00881	11.4
77.39022	0.6
83.01380	1.8
85.02963	3.1
87.00899	0.9
89.02448	7.9
91.01901	37.7
92.02226	1.8
93.03460	1.5
95.01408	1.1
97.02950	1.1
97.06618	0.8
101.02450	8.6
109.02961	16.0
113.02452	3.2
119.03506	1.7
119.05037	3.1
119.38418	0.6
121.02974	0.9
123.04523	2.0
125.02460	1.1
135.00897	19.6
136.01192	0.7
137.02417	4.4
137.09727	1.9
139.04022	1.8
141.05611	0.9
149.02412	1.1
151.03993	1.2
153.01947	30.7
153.09254	0.7
154.02229	1.5
161.04625	1.8
163.04030	4.7
178.99870	91.6
180.00233	5.9
181.07193	8.7
181.08778	1.9
191.05644	0.7
197.00922	63.3
198.01213	3.5
199.09779	3.3
245.08073	0.9
289.07275	1.6
317.06601	2.5
343.06686	8.0
344.06781	0.7
361.07755	100.0
361.14636	18.0
362.08127	10.2
362.15271	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	360.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
57.25664	0.3
59.01375	5.5
61.98828	16.7
63.99257	0.6
69.03423	0.3
71.01382	3.1
71.57925	0.6
72.01698	0.3
72.97552	0.6
72.99309	0.6
73.02936	0.7
75.00869	0.9
78.95914	7.5
83.01422	0.4
85.02947	1.4
87.00845	0.5
89.02460	1.2
91.01880	1.0
92.02234	0.4
94.02991	30.8
95.03333	0.9
96.96039	0.5
96.96971	14.2
99.00903	0.4
101.02454	1.7
111.00902	0.6
113.02462	1.4
119.03502	0.5
119.05058	1.0
121.02934	1.8
122.03312	1.8
123.00877	1.6
124.01691	0.6
125.02443	0.8
129.01941	0.5
134.04750	0.3
135.00797	0.3
135.04456	0.3
137.02457	0.5
138.01987	100.0
139.01530	0.3
139.02359	3.8
139.03989	1.6
149.02582	0.5
151.04018	0.6
153.01949	1.0
154.02299	0.9
161.04553	0.6
163.04019	1.2
163.76413	0.3
177.04123	0.8
178.04550	0.4
178.96094	0.7
178.99867	1.3
179.05760	0.5
180.00241	0.9
180.06694	0.5
181.05046	1.8
182.05402	1.4
195.05099	0.6
197.00943	0.4
197.04359	0.3
198.04897	0.8
199.06219	0.4
212.03264	0.3
249.06152	0.9
283.00757	0.4
300.07321	1.0
301.01846	0.4
301.08084	1.3
342.05151	0.4
351.57983	0.4
360.06396	2.0
360.10162	2.9
361.09985	1.2
361.15082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.9
59.01377	37.6
61.98832	43.8
65.03948	3.8
67.01885	3.5
69.33604	9.2
69.34040	8.0
71.01382	22.3
72.99352	2.7
73.02949	3.0
75.00876	9.4
80.25321	1.8
81.73206	1.8
83.71770	1.9
84.41222	1.7
85.02949	5.6
86.03240	1.8
87.00861	5.4
89.02443	13.7
91.01902	44.9
92.02209	3.6
93.03469	3.4
97.02972	2.8
101.02458	10.9
107.23000	2.0
109.02968	13.5
111.00893	5.3
113.02452	6.2
119.03606	4.5
119.05038	46.1
123.03286	3.4
125.02455	2.2
129.01944	2.6
133.82393	1.7
135.00909	21.0
137.01454	3.1
137.02466	25.8
138.05617	7.8
139.04065	2.8
139.05983	6.6
151.03993	2.6
153.01959	29.7
155.02409	1.8
161.04521	3.5
163.04024	64.0
164.04391	3.9
177.04048	5.7
178.99872	97.6
180.00203	10.1
181.00385	6.4
181.07187	10.5
181.08699	4.0
195.05101	8.0
196.05472	4.8
197.00923	58.0
198.01242	3.0
199.09715	9.0
203.07152	2.1
294.82623	1.8
299.07748	7.4
343.06763	7.0
361.07599	100.0
361.14719	38.2
362.08139	9.4
362.15240	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	360.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37940	0.2
57.64044	0.2
59.01095	0.4
59.01377	6.1
60.01685	0.2
61.98844	0.8
70.49670	0.7
71.01383	0.8
85.02959	0.2
89.02441	0.7
101.02480	0.6
108.02188	6.1
109.02512	0.2
113.02458	0.3
119.03530	0.4
121.02983	0.4
122.02496	0.3
138.01985	100.0
139.02345	3.8
145.04973	0.2
146.77258	0.2
151.02766	0.4
160.04042	0.2
180.02988	0.5
181.08730	0.2
195.04974	0.2
199.09750	0.4
249.83234	0.2
260.58960	0.2
361.15005	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	360.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.6
61.98817	0.5
67.83340	0.2
69.06140	0.2
69.36597	2.0
69.36944	0.4
71.01369	0.9
74.22742	0.2
77.15636	0.3
79.18468	0.2
85.02940	0.2
89.02457	0.7
94.94640	0.2
101.02448	0.6
108.02177	6.5
119.03516	0.4
121.02984	0.6
138.01981	100.0
139.02336	4.3
151.02774	0.4
160.04068	0.3
180.03014	0.3
180.56544	0.2
181.08740	0.3
183.23914	0.2
199.09767	0.8
328.36664	0.2
358.61221	0.2
361.15015	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	360.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.8
60.35878	0.2
61.98520	0.3
61.98830	6.8
62.83178	0.2
63.99237	0.2
64.38789	0.2
69.93880	1.5
71.01382	1.4
72.97534	0.4
75.00887	0.3
78.95901	5.4
83.01369	0.3
85.02952	0.7
85.83823	0.2
87.00873	0.7
89.02440	0.8
91.01907	0.4
92.02260	0.4
92.38676	0.2
94.02990	32.6
94.70500	0.3
95.03324	0.9
96.96967	14.3
101.02450	0.9
109.02937	0.3
113.02439	0.6
119.03441	0.3
119.05088	0.3
121.02976	1.0
122.03297	0.7
123.00922	1.3
125.02399	0.4
133.05072	0.4
137.02437	0.5
138.01982	100.0
139.02341	4.5
139.04016	1.0
152.86647	0.3
153.00623	0.3
153.01956	0.9
154.02322	0.3
161.04573	0.5
161.13715	0.2
163.04045	0.5
177.03978	0.3
178.99902	0.8
180.00215	0.6
180.06676	0.5
181.05067	0.8
182.05418	0.7
191.71223	0.3
195.05086	0.5
197.04517	0.4
198.04926	0.4
218.24139	0.3
300.07333	0.9
301.07953	0.4
360.06378	0.8
360.09689	1.0
361.06522	0.4
361.10834	0.5
361.15192	0.9
373.87473	0.2
384.51672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53309	0.3
55.86691	0.4
59.01091	0.6
59.01378	9.0
60.01711	0.6
61.98830	100.0
64.14777	0.3
71.01379	3.9
71.61300	0.6
72.99302	0.4
73.02957	0.8
83.01415	0.5
85.02940	0.9
87.00898	0.4
89.02469	3.2
90.02842	0.4
91.01918	0.9
97.03000	0.4
99.00922	0.4
101.02448	2.2
102.02772	0.4
109.03014	0.6
113.02463	1.2
118.95956	0.3
119.03553	0.7
119.05064	0.9
135.00940	0.6
135.04576	0.9
136.04855	0.8
137.09747	0.8
138.01996	0.4
138.05611	1.6
139.04066	0.5
149.02510	0.5
151.04005	0.3
153.01971	0.9
153.09259	0.8
161.04588	0.6
163.04066	0.7
178.99915	1.8
180.00261	1.5
181.08678	0.4
193.99518	0.3
195.05165	0.4
197.00990	1.2
198.08855	0.4
199.09810	1.4
259.65869	0.3
285.52731	0.4
300.11380	1.1
360.06290	2.5
360.13260	3.1
361.07574	1.2
361.15121	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	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62757	0.7
57.03442	1.6
59.01377	26.6
61.46053	0.6
61.98832	1.8
71.01382	14.0
71.56852	0.8
71.57201	1.0
72.99305	1.8
73.02950	1.8
73.09218	0.6
75.00884	1.6
83.01418	0.7
83.05039	1.0
85.02950	6.4
85.54661	0.7
87.00889	0.8
87.04537	0.8
89.02450	10.1
91.01913	1.6
95.01397	1.2
97.02954	2.2
99.00908	1.1
101.02447	5.9
107.08688	1.3
108.38044	0.6
109.02985	0.9
109.06615	1.2
111.04542	1.5
113.02477	7.3
119.03529	3.6
125.02400	0.8
133.10257	3.5
135.00909	0.9
135.08171	3.6
137.09732	0.9
138.05659	0.9
143.03545	0.8
153.01938	1.9
153.09233	100.0
154.09579	5.8
155.10820	5.2
161.02499	0.8
161.04514	1.0
167.10754	1.9
175.04094	1.4
178.99908	1.9
179.05688	1.0
179.07150	2.0
179.10847	1.1
190.06233	0.9
191.07153	0.8
195.10332	1.7
197.08203	100.0
198.08513	5.0
199.09738	3.3
241.10789	1.3
299.11575	1.0
300.11050	0.8
313.17557	0.8
317.19647	1.8
333.13565	0.8
344.12680	1.3
359.05975	1.8
359.13895	4.3
359.20773	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94677	0.4
53.14238	0.4
53.42893	0.5
59.01377	100.0
60.01709	1.0
60.03503	0.4
69.85058	2.9
71.01382	7.8
72.99315	0.5
73.02955	1.7
73.04358	0.5
75.00877	1.0
81.51602	0.4
83.01405	1.0
85.02962	3.0
89.02441	2.9
91.01901	29.9
92.02254	0.5
93.03484	0.6
93.28402	0.4
94.62107	0.5
95.01383	1.2
97.33027	0.4
98.19812	0.4
99.00876	1.4
101.02432	4.8
106.04260	1.0
107.25270	0.4
109.02987	2.4
113.02483	3.6
119.03576	0.6
119.05030	1.9
123.00890	8.8
135.00899	14.9
135.04568	0.6
136.01248	0.7
137.02567	0.8
137.06096	50.5
138.03246	13.3
138.05502	0.6
138.06468	2.4
139.03609	0.7
153.01936	8.8
153.05591	5.2
153.70786	0.5
159.03018	1.1
161.03252	0.6
161.04576	10.8
166.99854	2.6
178.99870	48.4
180.00194	2.3
182.02222	8.6
195.05046	0.6
197.00905	6.9
197.04547	24.3
198.04845	2.0
299.11377	2.2
310.79633	0.4
341.05127	2.2
359.06155	52.2
360.06427	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	359.1349
Annotation	Semperoside
Peak:m/z	Relative Intensity
54.01371	1.1
55.01867	1.4
57.03450	2.1
58.02553	1.1
59.01378	28.0
60.09991	1.0
61.98823	1.9
69.03463	2.3
69.45796	7.8
71.01382	17.9
71.05034	1.5
72.99323	2.4
73.02951	9.3
75.00891	2.6
78.95845	1.3
83.01411	1.6
85.02948	9.1
87.00891	1.4
87.04555	1.8
89.02444	10.2
91.01921	1.6
92.24387	1.1
93.03474	1.3
93.67533	1.1
95.01389	1.9
97.02965	2.9
98.19936	2.0
99.00915	1.2
101.02452	9.1
103.00385	4.5
107.08694	2.0
109.02944	1.0
109.06721	1.2
111.00918	1.4
111.04525	1.4
111.11268	1.1
113.02467	11.4
115.03935	1.1
115.07682	1.2
119.03524	3.0
119.05041	1.1
121.03028	1.1
123.08189	3.0
133.10240	3.8
135.02998	3.6
135.08186	4.6
137.09760	2.6
138.86229	0.9
149.02409	2.0
153.01950	10.8
153.09225	96.2
154.09514	5.2
155.10809	12.2
160.05247	2.2
161.04588	3.2
162.07582	1.2
164.04779	1.1
167.10808	1.7
175.07718	2.2
177.09328	2.1
178.99896	4.1
179.10799	1.4
195.03178	1.0
195.10274	3.1
197.08200	100.0
198.08511	7.2
199.09767	8.3
239.09222	2.1
241.10873	6.0
291.07883	1.2
299.18607	1.8
315.18088	1.6
317.19720	4.6
329.13940	2.6
359.06345	3.1
359.13345	10.3
359.20734	6.6
360.14444	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83432	0.5
54.28925	0.5
58.83523	0.5
59.01102	1.1
59.01377	14.0
65.00320	0.9
65.03967	0.9
66.38686	0.5
71.01374	7.3
72.99320	0.8
75.00876	1.2
78.95913	0.8
82.82718	0.5
83.01403	0.6
85.02965	2.3
87.00893	0.7
89.02445	5.1
91.01899	60.3
92.02246	2.4
93.03477	1.1
101.02457	2.5
101.38841	0.6
109.02951	4.6
113.02472	1.8
119.03514	1.2
120.23123	0.5
121.02959	5.1
123.00932	0.9
123.04477	0.7
125.02426	0.7
128.03543	1.0
130.53880	0.5
135.00900	31.4
136.01263	1.3
137.02460	2.4
138.01985	0.6
138.03229	1.0
149.02452	0.8
153.01945	20.4
154.02266	0.8
158.88490	0.6
161.42604	0.5
167.03534	0.6
177.04053	2.2
178.99875	100.0
180.00201	5.1
180.06551	0.7
181.05069	3.1
182.02260	1.2
195.05106	1.2
197.00948	14.4
197.02803	1.0
197.04527	2.9
198.01266	0.5
221.00882	1.5
239.02052	0.8
281.02914	1.0
286.54349	0.6
288.05566	0.6
299.04117	0.8
341.05115	4.6
359.06171	97.8
360.06372	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	359.062
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.6
59.01099	0.7
59.01378	8.2
65.03962	0.7
67.01900	0.5
68.81191	0.3
70.48109	0.4
71.01392	4.5
71.04743	0.8
85.02960	0.5
89.02454	2.7
91.01900	45.3
91.73928	0.4
92.02209	1.9
101.02443	1.9
109.02959	2.7
110.83818	0.4
113.02484	0.9
119.03523	0.8
123.43156	0.4
135.00894	21.9
136.01233	1.4
149.02449	0.5
153.01942	11.9
154.02309	0.7
167.10051	0.4
178.99867	80.4
180.00250	3.5
180.43991	0.5
197.00931	11.4
198.01265	0.6
221.00870	1.1
239.02023	1.2
251.71146	0.4
281.03116	0.5
299.04218	0.5
320.75604	0.4
341.05093	3.0
359.06183	100.0
360.06528	11.6
373.34991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1346
Annotation	Junipediol A 8-glucoside
Peak:m/z	Relative Intensity
55.01885	0.8
57.03437	1.3
59.01372	5.7
59.24073	0.5
67.01903	1.2
69.03453	6.2
71.01379	11.0
71.92876	0.7
72.33921	0.6
72.99310	8.4
73.02953	3.4
74.18342	0.6
75.00875	26.6
76.59134	0.6
83.01414	0.9
85.02951	6.2
87.00880	3.0
87.04523	2.5
89.02443	1.2
94.54185	0.6
95.01408	1.1
97.02958	12.0
99.00881	2.2
100.63125	0.8
101.02428	3.1
108.49458	0.7
113.02455	1.1
115.04063	1.3
129.01926	3.2
135.08200	2.0
137.09720	10.4
141.01944	6.6
145.59357	0.6
152.82722	0.7
155.10789	97.7
156.11125	4.8
159.03008	8.8
177.04059	7.5
181.08714	2.7
199.09760	54.0
200.10075	2.9
241.10805	1.2
308.79578	0.8
341.12445	2.0
359.13443	100.0
360.13754	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	358.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.4
59.39916	0.3
60.01723	0.6
61.98829	100.0
63.99269	1.6
70.09213	1.5
71.01401	2.0
71.01720	0.3
71.97174	0.3
75.93853	0.3
79.87198	0.4
84.04560	0.7
85.02985	0.6
88.04058	1.8
89.02451	1.8
91.01931	0.4
101.02473	0.8
102.02769	0.4
110.03672	0.5
113.02470	0.7
119.03544	0.7
121.02982	0.6
124.04078	0.4
125.02461	0.7
130.05159	1.0
153.01997	0.7
160.06161	4.7
161.04546	0.4
197.04579	1.1
217.00229	0.4
224.25504	0.3
298.08759	0.6
298.12317	3.4
333.93951	0.4
359.06296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88913	0.4
57.03431	0.4
59.01379	4.1
61.98845	0.9
67.01897	0.3
68.90554	0.4
69.43446	3.6
69.43855	0.5
71.01385	2.4
72.99297	0.9
73.02944	0.4
75.00885	0.4
85.02950	1.9
85.32039	0.4
87.00902	0.4
89.02451	1.1
93.03473	0.7
95.01381	0.4
97.35677	0.4
98.19822	0.7
101.02453	1.4
108.08205	100.0
109.06593	0.4
109.08549	4.2
113.02450	1.7
120.08197	2.9
121.02969	0.7
132.08197	1.5
134.38379	0.4
136.01680	8.8
136.07640	0.6
137.01990	4.3
147.03244	0.6
148.07687	1.6
151.04024	10.3
152.04471	6.9
152.07185	81.6
153.01997	0.6
153.07553	4.0
153.09198	1.9
155.10764	0.8
161.02425	1.3
161.04530	0.5
163.04140	0.4
164.07187	1.4
166.08751	17.6
167.09044	0.8
167.10715	0.4
176.07191	1.2
177.03966	0.7
178.99840	1.0
179.03635	0.4
189.05499	0.5
194.08228	8.4
195.08527	0.5
195.10301	0.6
196.06163	58.5
197.04791	0.6
197.06493	2.9
197.08241	1.9
201.26022	0.4
238.07214	9.2
239.07433	0.5
243.12370	0.9
268.08179	0.5
275.92749	0.4
298.09332	6.9
329.14209	0.5
343.11630	0.9
358.11066	11.6
359.12134	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80439	0.5
59.01376	100.0
60.01718	1.0
61.98832	3.6
75.00869	0.7
76.03538	0.6
80.37956	0.5
85.02959	0.6
98.19861	1.0
113.17930	0.5
121.02956	4.5
135.04544	1.0
150.03239	1.5
166.55002	0.5
219.96744	0.5
223.13373	3.7
295.20786	0.6
297.11780	1.1
311.20319	0.6
339.19720	1.2
357.06021	1.3
357.20660	18.5
357.26025	0.8
358.20969	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	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	0.7
61.17636	0.6
61.98832	2.0
63.07508	0.5
71.01385	0.7
71.85303	0.5
79.61141	0.5
85.02951	0.5
87.00933	0.7
88.41305	0.5
93.03493	0.7
101.02481	0.8
121.02951	4.2
154.64325	0.6
159.99481	0.5
186.25221	0.5
195.06808	0.7
202.22664	0.6
223.13503	2.4
319.23364	0.6
357.06320	1.5
357.13437	0.8
357.26593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
57.03429	0.5
59.01378	26.0
61.98830	3.4
70.89626	0.6
71.01376	1.5
72.97533	0.4
75.00877	10.3
83.01406	0.5
85.02945	1.6
87.00894	1.0
87.17344	0.3
89.02460	1.3
93.03471	3.7
99.00903	0.7
101.02452	0.9
108.02180	6.0
109.02998	1.8
111.00879	0.4
113.02456	0.5
129.01955	4.0
134.03758	0.8
135.04541	100.0
136.04866	4.8
138.70584	0.3
141.01982	0.3
150.06911	2.9
151.03990	0.4
151.07590	0.3
152.01186	3.3
153.01965	0.9
159.03033	2.6
162.03302	1.5
177.01968	0.4
177.04070	0.8
177.05585	1.2
179.03459	0.8
195.05109	35.8
195.06485	1.5
196.05455	1.8
301.94247	0.3
357.08212	5.9
357.12134	0.6
358.08530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03446	0.5
58.00593	0.6
59.01376	18.9
60.01719	0.4
60.99317	0.3
61.98828	100.0
62.98535	0.5
63.99261	0.4
68.99585	0.4
69.77988	0.2
71.01382	13.2
71.60603	0.3
72.01722	0.3
72.99307	1.1
73.02951	2.0
75.00871	1.5
81.03460	0.3
81.24648	0.2
83.01377	0.8
84.04575	0.3
85.02956	4.1
87.00878	1.7
87.04508	0.3
88.04055	0.8
88.98823	0.3
89.02448	13.4
90.02801	0.4
91.43562	0.2
95.01390	0.8
96.24306	0.1
97.02972	0.2
99.00875	0.8
99.04523	0.3
101.02451	9.2
102.02796	0.3
103.04028	0.3
105.01943	0.3
108.02208	0.6
110.03597	0.4
112.35966	0.2
112.98630	0.3
113.02458	5.6
114.02812	0.3
115.04006	0.4
117.05605	0.5
119.03508	5.6
120.03916	0.2
123.04533	0.7
125.02463	0.3
129.01955	0.4
130.05176	0.3
131.03508	0.8
132.03067	0.2
133.04039	0.1
133.05060	0.4
134.06143	0.3
135.06651	6.6
136.06946	0.2
143.03511	1.3
149.00690	0.2
149.04572	0.5
150.59641	0.1
151.00204	0.8
151.01294	0.2
152.07201	0.2
159.03015	0.6
160.06163	2.1
161.04573	3.7
165.04076	1.4
177.04134	0.2
179.05623	4.7
180.05960	0.3
181.07187	0.2
183.07431	0.2
192.99574	0.2
194.99075	0.4
195.03320	0.2
195.05106	1.5
243.86699	0.2
297.11893	32.2
298.12244	3.0
357.10440	1.9
358.10785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
56.68334	0.6
57.03456	1.4
58.00607	0.8
59.01377	15.1
67.63155	0.4
68.99825	1.1
70.92463	1.5
71.01383	18.2
72.97536	1.1
73.02949	8.1
75.00880	3.1
83.01401	4.0
85.02954	9.5
87.00891	2.0
89.02454	3.4
91.14066	0.5
93.03469	25.3
94.03806	1.3
95.01402	2.4
98.06467	0.5
99.00897	2.9
101.02454	17.0
108.02212	1.1
109.02976	0.6
111.00932	0.7
113.02463	7.3
118.98074	0.7
119.05011	0.9
121.02966	1.4
123.00881	0.5
123.04559	1.4
125.02499	0.8
129.01941	1.0
134.03780	3.9
135.04578	0.9
136.01639	2.9
137.02463	70.7
137.09801	0.5
138.02824	3.0
149.02470	1.0
150.03502	0.5
150.06905	0.7
151.04007	1.1
151.07722	0.9
153.05609	1.3
155.10796	1.0
159.02994	1.6
160.01715	1.3
161.04587	2.2
165.09212	1.8
168.46085	0.7
175.04018	2.1
177.01938	2.7
177.04033	1.4
177.05467	0.6
179.03493	1.3
187.32431	0.6
191.03545	0.8
193.05093	5.2
195.03107	1.2
195.05095	2.6
205.01488	1.3
207.02965	1.8
221.04588	1.0
237.09798	1.2
239.09280	0.6
242.41846	0.5
261.40414	0.5
268.83478	0.5
275.02472	0.5
281.06689	1.2
348.46405	0.5
357.11917	100.0
358.08005	1.1
358.12241	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	357.1191
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
53.83371	0.6
55.01894	0.7
58.00586	1.7
59.01376	30.1
60.01714	0.6
62.64024	0.6
67.03676	0.6
69.55007	4.9
69.55347	1.0
71.01382	16.4
72.99326	0.8
83.01443	0.8
85.02966	2.9
87.00877	0.8
89.02454	17.1
93.36680	0.7
94.60912	0.6
95.01379	1.0
96.99330	0.6
101.02445	12.1
108.02174	0.8
113.02463	8.0
115.47989	0.5
119.03537	6.9
121.03768	0.6
130.75287	0.6
131.03487	0.7
134.03734	1.8
143.03487	1.0
149.04544	1.0
150.03233	0.7
151.04140	0.6
158.84689	0.6
161.02475	1.1
161.04605	0.6
162.03238	53.0
163.03639	3.7
167.24666	0.5
168.76262	0.6
171.97981	0.6
177.05577	100.0
178.05887	7.8
179.05591	0.7
195.06717	1.5
209.04715	0.6
279.24185	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02209	0.3
52.08825	0.3
53.04564	0.3
59.01377	2.4
61.98828	100.0
62.99268	0.4
69.57520	2.9
71.01375	0.5
82.93876	0.4
98.19885	0.7
115.87017	0.3
131.06616	0.4
151.00391	0.6
157.93083	0.3
258.79169	0.4
271.06192	1.0
358.13602	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34548	0.5
52.19300	0.5
55.01870	1.0
57.03450	3.3
59.01377	15.9
69.03429	0.7
70.15727	2.4
71.01382	18.1
72.99298	3.1
73.02930	2.3
75.00877	14.3
78.95908	4.8
83.01367	1.0
85.02959	19.6
87.00883	15.9
88.98811	2.0
89.02456	5.7
95.01379	1.4
96.96972	4.8
97.02965	0.9
99.00880	3.6
101.02445	5.4
102.16896	0.5
104.71108	0.5
104.78239	0.5
105.01930	1.1
111.00904	0.9
113.02457	21.2
114.02746	0.6
115.00400	1.2
119.03586	0.7
129.01945	2.6
131.03542	1.5
141.01897	0.6
151.00252	2.2
157.01424	0.7
159.03040	1.2
163.06134	2.1
163.28075	0.6
165.04001	3.2
175.02464	1.1
181.07184	4.9
193.03525	0.6
194.99168	1.3
206.95601	7.3
222.93231	1.0
224.25443	0.6
224.96432	0.5
226.61414	0.6
229.53932	0.6
259.02106	3.3
339.09439	3.8
356.82471	0.8
357.10376	100.0
358.10767	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	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03448	0.9
58.00591	0.2
59.01373	11.0
61.98825	100.0
62.98550	0.4
69.77225	0.2
71.01380	10.1
71.58944	0.4
72.01724	0.3
72.97540	1.0
72.99317	0.5
73.02951	2.5
75.00889	0.7
83.01395	1.5
85.02957	4.9
87.00884	1.0
89.02442	2.9
91.20824	0.2
93.03462	11.6
94.03818	0.4
95.01390	1.6
96.99314	0.3
97.02950	0.4
99.00899	1.3
101.02450	8.0
108.02182	0.6
111.03197	0.2
113.02455	3.6
118.98116	0.3
119.03514	1.2
119.05058	0.7
121.02975	0.7
125.02457	0.3
134.03780	0.4
134.97652	0.3
135.03194	0.3
135.04462	0.2
136.01675	1.4
137.02452	28.1
138.02760	1.5
143.03551	0.4
147.04527	0.3
149.06110	0.3
150.05634	0.5
151.00398	0.6
151.04039	0.4
151.07610	0.5
152.04515	0.2
159.03006	0.5
161.04550	2.0
163.04045	0.5
165.09224	0.4
177.01944	0.3
177.09204	0.5
179.03493	0.3
179.05626	0.4
183.10301	0.2
193.05133	0.3
195.03264	0.2
195.05176	0.6
195.10243	0.4
221.04561	0.8
237.09802	0.5
240.34242	0.3
249.57689	0.2
271.06189	1.4
271.08948	0.2
281.06760	0.6
314.12625	0.6
357.11887	38.1
358.12180	4.6
358.16159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	2.4
58.00583	0.4
59.01379	10.4
61.98833	12.5
62.25193	0.3
65.18302	0.3
71.01384	7.6
72.97527	1.9
72.99294	2.0
73.02953	0.8
75.00877	31.7
76.01239	0.5
83.01408	1.2
84.02180	0.6
85.02954	5.7
87.00883	4.6
87.35789	0.3
88.18462	0.3
89.02450	4.7
97.02981	0.7
97.58736	0.3
99.00880	3.1
99.92612	0.7
101.02446	2.2
108.02187	0.8
108.04590	1.0
109.02957	0.4
109.04928	0.7
111.00894	2.0
113.02480	0.8
115.92101	0.4
119.03529	1.0
123.04549	0.5
129.01962	13.3
131.03487	0.4
133.03024	1.1
134.03760	2.6
135.04546	15.4
136.04013	0.5
136.05101	0.4
137.02461	0.8
141.01956	2.3
149.06094	0.6
151.04048	1.3
159.03000	7.4
160.01691	0.7
161.02475	4.3
162.03246	5.4
175.04037	1.1
177.04053	7.7
177.05591	7.6
178.99968	0.4
179.03477	5.9
180.03923	0.4
193.05069	1.4
194.05405	0.5
195.05106	100.0
195.06480	4.7
196.05426	3.1
221.04504	0.5
263.73270	0.3
281.06705	0.6
294.12888	1.7
309.61224	0.4
312.55783	0.4
339.07187	5.5
339.10840	0.7
340.07574	0.4
357.01166	0.8
357.08203	19.5
358.08472	2.1
361.90799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0463
Annotation	L791456
Peak:m/z	Relative Intensity
57.03453	1.3
59.01369	9.7
61.98830	2.1
65.03967	2.8
65.43954	0.7
67.01897	2.7
69.03423	0.9
69.35101	1.9
69.35513	4.5
71.01392	4.5
72.97549	1.9
74.02486	1.1
75.00871	3.5
79.95762	0.6
83.01351	0.7
85.02943	3.8
87.00883	1.9
89.02465	2.6
91.01900	46.2
92.02255	2.0
93.03452	1.1
98.02503	1.7
99.00898	1.9
101.02482	1.4
105.31001	0.7
108.02216	1.4
109.02960	20.5
110.03288	0.9
111.00913	2.4
113.02420	0.9
118.98092	1.8
119.03510	0.6
121.03008	0.7
123.04510	0.7
129.01968	6.5
130.02306	0.9
132.02145	0.8
133.06627	1.2
134.03786	1.6
135.00897	23.0
135.04529	7.4
136.01357	0.8
141.01898	1.2
149.06108	1.0
151.03984	1.5
152.01190	1.2
153.01945	34.6
154.02287	1.6
157.38066	0.6
159.03001	1.6
160.01660	2.0
161.02025	0.7
162.02136	1.3
175.03986	3.1
176.04376	1.5
177.02040	0.8
177.04103	3.6
177.05608	2.0
178.99869	89.6
179.03381	2.1
180.00255	3.6
193.05092	2.6
194.05493	0.8
195.03085	0.7
195.05028	3.7
195.06755	1.1
195.10217	0.8
196.05708	0.6
197.00914	47.5
198.01227	1.9
200.22935	0.7
224.91174	0.7
253.47818	0.7
269.08463	0.7
269.11316	1.3
339.03580	11.7
340.04044	1.2
357.04593	100.0
357.08234	4.7
358.04861	9.5
358.08920	0.8
358.16333	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90472	0.9
55.01868	1.3
57.03444	4.3
59.01376	17.0
59.16167	1.0
61.98817	3.3
63.47670	1.0
64.49525	1.0
66.98329	1.2
68.56333	1.0
71.01382	17.1
71.61812	1.3
71.62220	1.5
72.97527	2.4
72.99313	5.1
73.02956	3.0
75.00873	38.2
83.01371	1.8
85.02949	13.9
87.00883	22.3
88.98825	1.7
89.02444	8.9
93.03461	2.7
95.01382	1.0
99.00879	6.0
101.02470	7.9
105.01950	14.3
108.02174	4.9
109.02966	2.2
111.00881	2.6
112.98820	1.1
113.02457	8.7
119.03510	2.3
122.38525	1.2
129.01956	12.5
135.04547	9.9
135.06616	1.6
137.02470	1.7
141.01941	2.0
147.03006	2.4
149.00652	1.4
150.06879	6.1
151.00259	1.6
152.01149	2.3
153.01974	1.6
159.02965	6.2
161.02443	2.0
161.04604	1.5
165.04050	72.0
166.04350	2.5
173.20314	1.1
177.04051	4.2
179.03468	5.9
181.07216	2.0
192.99672	1.6
195.05101	100.0
196.05455	3.5
211.03476	1.2
237.06004	1.4
297.11975	9.1
339.07364	1.5
357.10815	29.5
358.10965	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53316	0.4
52.63118	0.4
57.03444	1.8
58.00561	0.5
59.01373	21.7
61.98830	2.3
70.00795	2.1
71.01381	4.9
72.97525	0.5
72.99315	1.4
73.02914	0.5
75.00871	28.0
81.35744	0.4
83.01397	0.8
85.02956	4.6
87.00880	3.9
89.02447	3.3
93.03472	1.8
98.20652	0.5
99.00881	3.1
101.02466	1.4
108.02195	1.1
109.02936	0.7
111.00900	1.9
113.02483	0.8
121.91777	0.4
123.04475	0.5
125.02429	0.6
128.07355	0.4
129.01942	11.3
129.02844	0.9
130.02275	0.6
133.02933	0.6
134.03809	0.5
135.04530	73.1
136.04814	3.0
141.01964	1.7
150.06889	3.6
152.01122	0.7
153.01903	0.7
159.03001	6.7
161.02464	1.3
161.04547	0.5
162.03229	1.9
177.04004	1.6
177.05589	3.7
179.03491	6.1
195.05095	100.0
196.05447	4.2
223.38000	0.5
279.54172	0.5
282.88962	0.4
339.07294	1.0
357.08145	6.8
357.11917	1.0
358.08774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	3.1
58.55888	0.5
59.01380	12.0
61.98830	100.0
69.52698	3.2
69.53114	1.2
71.01387	6.9
72.97541	2.1
72.99325	1.6
73.02950	1.0
75.00879	21.6
76.71743	0.5
83.01424	0.9
85.02957	6.0
85.06623	1.3
87.00867	2.8
87.42028	0.5
89.02450	5.2
93.03483	0.9
99.00909	2.3
99.92591	0.7
101.02438	3.3
108.02198	0.9
108.04568	7.1
108.05255	0.7
111.00908	1.1
113.02470	1.7
113.54397	0.5
117.13818	0.5
119.03529	1.1
129.01958	8.9
131.07149	4.6
133.02997	1.4
134.03787	5.4
135.04625	9.6
136.05330	0.6
137.02440	1.0
141.01978	1.5
149.00682	1.4
149.02469	0.5
149.06082	1.7
150.00975	0.9
150.05556	6.2
151.04051	0.8
153.01991	0.6
159.03001	5.2
160.01671	0.7
161.02470	3.8
162.03282	3.3
175.03963	0.6
177.04066	7.0
177.05609	7.0
178.02718	1.8
179.03490	6.5
191.01944	0.8
191.05606	1.9
192.02304	0.8
192.05945	1.5
192.99652	0.6
193.05101	4.4
193.06390	1.6
194.00024	0.8
194.05296	7.5
195.05109	74.7
195.06465	3.6
209.03049	1.1
210.03403	0.9
232.07471	0.6
274.67593	0.5
293.12399	17.2
294.12628	1.0
339.07242	3.9
356.10211	1.0
357.01123	0.9
357.08200	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	356.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53113	2.3
58.09864	2.2
59.01370	6.7
61.98829	100.0
70.17402	2.0
71.60560	2.8
78.28487	2.3
108.74758	2.4
121.02958	6.8
146.29691	2.5
185.38171	2.3
213.65695	3.0
240.25699	2.1
261.56479	2.4
292.31320	2.2
357.05902	2.8
357.26157	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	356.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
61.98827	100.0
68.81329	0.3
71.01370	2.8
71.55288	0.6
73.02963	0.5
85.02966	0.8
87.00882	0.3
89.02444	3.1
93.55153	0.3
100.01913	0.2
101.02451	1.7
103.18948	0.3
104.01662	0.3
112.98596	0.3
113.02470	1.1
119.03482	1.3
129.19980	0.3
135.06680	1.0
161.04570	0.3
175.32928	0.3
179.05606	1.1
181.07207	0.4
195.05116	0.3
223.50208	0.3
297.11917	6.3
343.82416	0.3
351.93973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
59.01377	6.7
61.98830	100.0
68.99796	0.5
69.25229	3.4
69.25652	1.3
71.01385	4.0
72.97530	5.0
72.99322	0.6
75.00879	12.4
75.54665	0.4
83.01376	0.6
85.02951	2.7
85.06605	1.2
87.00909	2.0
89.02444	2.8
99.00896	1.1
101.02472	1.9
107.94636	0.4
111.00871	0.7
113.02498	0.9
119.03518	1.1
129.01959	5.5
131.07178	5.5
133.02937	0.5
134.02515	3.4
134.03674	0.8
134.97644	1.7
135.04561	5.8
137.02438	0.7
141.01933	0.6
150.01097	0.4
159.03032	2.7
161.02431	2.2
162.03294	1.8
164.07262	0.5
177.04066	2.3
177.05637	3.4
179.00049	0.5
179.03503	2.9
191.44820	0.5
194.05417	0.5
195.05104	40.5
202.65285	0.5
293.12390	16.6
293.17447	0.7
294.12830	1.7
339.07175	2.5
356.10611	0.9
357.08167	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	355.3217
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
61.98834	1.7
69.61339	0.3
70.18103	1.3
95.67370	0.3
98.19949	0.3
98.90467	0.3
116.92864	0.4
162.76404	0.3
170.54521	0.3
199.00766	0.7
309.31604	3.9
310.31970	0.4
337.31055	1.0
338.31522	0.3
341.41464	0.3
346.92453	0.3
353.30731	0.8
355.20319	1.6
355.32156	100.0
356.32516	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	356.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.6
59.01376	8.2
60.01709	0.4
61.98829	100.0
63.99243	0.2
64.56133	0.3
71.01382	4.7
71.55216	0.3
71.55564	0.2
72.01714	0.4
72.97561	0.4
72.99319	0.7
73.02962	0.8
73.78197	0.2
75.00876	4.1
78.95926	0.5
80.02671	0.3
83.01419	0.4
85.02951	3.0
86.03282	0.3
87.00899	1.7
87.54581	0.3
89.02450	3.2
90.02812	0.2
93.03462	0.3
95.01431	0.3
96.96980	0.5
99.00880	1.3
101.02451	3.4
108.02202	0.3
109.02969	0.4
111.00900	0.5
113.02453	2.1
117.03589	0.2
119.03530	1.5
121.02982	0.8
123.04549	0.5
124.04078	0.6
129.01976	1.3
134.03835	1.1
135.04538	1.3
135.06616	0.3
137.02483	0.4
143.03618	0.4
145.02979	1.1
146.03722	0.3
149.00699	0.7
149.69994	0.2
150.01031	0.9
150.03244	0.3
150.05640	0.5
150.06851	0.6
151.03993	0.4
157.05215	0.2
159.03049	0.7
161.02472	1.0
161.04576	0.6
162.03300	1.1
165.01974	0.5
165.05635	0.6
173.04599	0.4
174.04935	0.3
177.04202	0.4
177.05629	1.1
178.02548	0.3
179.03508	1.4
179.05684	0.5
180.04309	1.4
181.07217	0.4
191.05620	0.4
192.05975	0.4
192.99715	0.5
193.04901	0.4
194.00037	1.0
194.05499	1.0
194.99290	0.3
195.03253	0.4
195.05139	9.1
195.06718	2.8
198.07767	0.3
201.14148	0.2
257.07852	1.0
263.56302	0.3
267.08804	0.3
295.13950	0.4
296.14377	3.1
296.99661	0.4
297.11829	1.4
318.11862	0.3
356.10339	0.3
357.08740	0.8
357.12302	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	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
55.24583	0.4
57.03437	0.4
58.00604	0.5
59.01374	12.6
69.39288	2.9
69.39708	1.1
71.01382	6.7
75.00874	0.4
83.72778	0.4
85.02966	2.1
86.52687	0.4
87.00883	0.8
88.55839	0.4
89.02456	3.8
93.03529	0.4
95.01394	0.6
98.19814	0.9
99.00893	0.6
101.02460	3.0
105.03476	0.8
107.45356	0.4
113.02457	3.1
119.03487	1.6
119.05056	0.4
129.01971	0.5
132.02177	13.7
132.03181	0.7
133.03009	4.4
134.03754	17.0
135.04118	0.7
137.02417	0.7
145.02962	0.5
147.04549	1.7
148.05338	0.8
149.02435	0.4
149.06088	4.4
151.04021	0.5
151.66008	0.4
160.01665	70.2
161.01999	4.3
163.03973	0.6
174.03244	0.5
175.04004	100.0
176.04485	9.1
177.01935	1.1
177.04059	1.5
177.05421	0.6
178.02737	1.9
191.07162	6.3
192.99597	0.5
193.05051	24.8
194.05426	1.1
195.02966	0.4
202.02711	1.4
207.06633	1.5
217.05020	6.2
220.03773	0.6
235.06079	11.2
236.06496	0.9
265.07126	5.7
266.07480	0.6
274.70352	0.5
290.70764	0.4
295.08221	9.7
296.08472	1.3
337.09042	0.5
355.06494	0.5
355.10309	6.5
356.10770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2852
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
55.02654	0.4
57.03447	0.9
59.01365	1.3
61.98827	2.7
71.53994	0.4
71.58152	1.0
71.71086	0.5
74.52397	0.4
265.25519	0.5
291.26974	1.1
293.28473	63.1
294.28839	7.1
294.56732	0.5
306.95605	0.5
311.29514	2.5
312.29794	0.6
337.27454	19.9
338.27817	2.1
355.28510	100.0
356.24350	1.0
356.28802	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	355.1033
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01372	8.1
59.35336	0.5
69.55588	2.5
71.01386	4.0
76.52406	0.4
79.07783	0.4
85.02947	1.2
89.02453	3.4
95.01426	0.6
101.02461	1.9
113.02466	2.0
119.03528	0.9
125.01757	0.4
132.02187	13.7
134.03751	6.9
135.04204	0.5
147.04555	0.6
149.00774	0.7
149.06100	1.6
160.01671	61.3
161.01997	3.6
163.04042	0.5
175.04012	100.0
176.04362	5.6
185.87753	0.4
191.07204	1.8
192.04477	0.4
192.99594	0.8
193.05064	18.5
194.05389	1.4
202.02798	0.7
205.91579	0.5
207.06598	0.8
217.05046	7.3
218.05414	0.8
235.06097	3.7
265.07156	0.9
295.08163	2.2
355.10345	8.3
356.10767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
55.64552	2.1
57.03432	9.4
59.01093	2.8
59.01382	54.5
61.98832	12.7
67.01888	9.0
69.03446	3.6
71.00999	2.5
71.01383	45.9
71.64034	3.6
72.99307	7.8
73.02943	14.9
75.00880	3.8
76.23222	1.9
82.33773	2.0
83.01382	4.7
83.05051	2.0
85.02955	48.7
87.00903	11.6
89.02450	29.9
89.80480	1.9
93.03462	40.2
93.04008	4.0
95.01402	2.2
95.98044	1.8
97.02954	2.5
99.00887	15.3
101.02456	26.8
111.00882	7.7
111.04521	7.1
112.98824	48.0
113.02449	13.1
115.00394	3.0
119.03510	7.3
119.05063	5.2
121.02963	67.7
122.66418	2.0
127.03964	2.3
129.01941	10.0
131.03506	6.9
133.02937	4.2
133.05093	1.9
135.04512	4.2
137.02461	3.8
142.64825	1.8
142.99866	10.3
143.03535	2.2
145.01476	3.5
147.03020	4.4
149.00685	7.7
149.04553	16.1
155.03471	5.8
161.04549	4.1
163.04012	4.5
163.06126	8.3
173.00972	14.5
173.04565	89.3
174.04868	4.4
175.02525	3.4
175.09512	1.9
177.01958	2.7
179.05580	5.1
179.37196	2.1
181.03638	2.9
181.05069	35.1
181.07173	100.0
182.05426	2.2
182.07462	3.1
187.80583	2.0
191.01965	8.2
191.05605	54.9
191.31998	2.3
192.05981	4.4
192.99631	9.0
193.04953	4.4
201.78267	2.0
209.03055	3.8
222.18869	2.3
233.06535	3.1
265.05618	3.3
299.25687	2.4
337.09265	2.4
338.44659	2.0
355.10165	33.4
356.10541	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	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
58.89109	0.3
59.01083	0.6
59.01378	8.1
61.98806	0.4
69.67904	2.2
69.68235	0.4
71.01382	4.4
72.15714	0.3
72.99300	0.6
83.37226	0.3
85.02975	1.0
87.00906	0.4
89.02446	3.1
95.01401	0.5
101.02436	2.3
113.02465	1.6
119.03528	0.6
132.02190	11.4
133.02548	0.5
134.03758	8.0
137.02473	0.4
147.04485	0.4
149.00717	0.4
149.06091	1.9
160.01672	63.4
161.02022	3.9
163.04027	0.4
174.03278	0.5
175.04015	100.0
176.04381	5.5
178.02760	0.7
191.05693	0.4
191.07156	2.0
192.05855	0.4
192.99741	0.3
193.01332	0.6
193.05037	16.9
194.05374	0.7
202.02757	1.0
207.06638	0.8
209.06671	0.4
217.05057	5.3
235.06125	2.6
235.28874	0.3
265.07230	0.3
295.08167	1.8
355.06070	0.4
355.10349	6.9
356.10837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72285	0.5
59.01376	7.0
61.01809	0.8
61.98832	100.0
65.44113	0.6
69.24796	0.6
71.01380	1.1
72.73263	0.6
85.02980	1.3
87.04537	1.2
98.20647	1.3
101.02466	1.8
109.66496	0.6
110.62180	0.6
113.02500	1.0
115.12987	0.6
121.67752	0.6
145.03006	0.6
161.04570	2.0
166.60220	0.6
175.04094	0.7
177.09395	0.6
191.05669	0.8
201.32401	0.6
229.40631	0.7
355.25070	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	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56498	3.2
59.01380	26.0
61.98521	6.4
61.98829	100.0
63.79493	3.1
67.53477	3.4
71.01367	5.5
71.62453	3.3
71.62885	4.8
85.02952	7.7
86.49580	3.0
161.04536	10.4
174.59317	2.9
191.05585	4.1
192.05913	4.6
199.71280	3.9
237.27544	3.5
281.49612	3.7
355.28436	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	355.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
57.03458	2.2
59.01375	9.9
62.42580	0.3
68.99820	0.4
69.00647	0.4
69.03457	1.3
70.55122	1.2
71.01382	14.1
72.98885	0.7
72.99309	14.4
73.02949	15.9
75.00879	0.8
77.11106	0.4
78.95940	0.4
83.01393	2.3
84.02159	0.4
85.02955	18.0
86.03303	0.5
87.00866	3.1
89.02459	4.5
95.01395	3.1
96.96044	0.7
96.99319	0.4
99.00876	3.6
101.02446	7.9
103.00371	0.5
103.04037	1.1
108.31938	0.4
111.00877	1.3
113.02459	24.7
114.02806	1.0
115.00391	2.7
115.47536	0.4
119.03528	1.8
129.01955	5.9
131.03520	15.0
132.03917	0.5
149.00681	100.0
150.01033	4.7
157.01450	4.9
161.04588	1.8
175.02490	19.2
175.03735	0.3
176.02902	0.8
176.65855	0.4
179.05490	0.4
192.99648	73.9
193.03418	1.6
193.99991	4.1
221.06693	1.3
235.04567	0.6
265.05624	15.0
266.06070	0.7
295.06644	0.9
337.07703	1.0
354.85751	0.4
355.04755	4.1
355.08765	9.5
355.12772	0.7
355.85916	0.4
356.05304	0.5
356.09305	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.6
57.03420	1.5
57.45990	1.3
58.00583	1.9
59.01378	63.3
61.93590	1.6
61.98837	2.7
69.89190	8.4
69.89522	1.8
71.01382	44.2
72.99288	2.2
73.02549	2.8
73.02945	38.1
74.03271	1.5
82.67435	1.9
83.01398	2.3
85.02960	21.9
86.16084	1.8
87.00889	3.2
88.88387	1.5
89.02458	20.7
93.03441	3.6
95.01390	2.9
98.20619	1.8
99.00854	3.3
101.02446	23.9
103.04032	8.3
112.98781	1.8
113.02474	12.8
119.03526	8.3
127.04070	2.1
129.51527	1.4
131.03514	61.6
132.03827	2.2
135.04523	9.1
143.03473	2.6
155.03650	1.6
159.03017	2.3
161.02470	2.1
161.04576	22.0
173.00990	1.6
173.04527	9.5
179.03526	8.8
182.39345	1.4
184.50673	1.6
191.05627	95.6
192.05957	4.5
222.16197	1.5
225.10086	1.6
293.08749	100.0
294.09036	6.4
353.08701	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	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77316	0.3
57.03442	0.4
59.01387	1.5
60.99296	0.4
67.01886	1.0
69.03452	0.4
69.97940	1.8
69.98239	0.5
71.01376	1.3
83.05051	0.8
85.02955	9.7
85.87971	0.3
87.00898	1.6
93.03465	6.5
98.06451	0.3
99.04530	0.5
100.86181	0.3
103.07522	0.3
107.38570	0.3
109.02975	1.0
111.04533	1.4
127.04017	3.3
133.02962	0.7
134.03751	0.7
135.04543	12.0
137.02423	0.7
137.12987	0.4
155.03532	0.8
161.02438	1.9
171.03027	0.7
173.04567	12.8
173.06047	0.7
174.04965	0.4
179.03510	8.5
180.03838	0.5
191.05620	100.0
192.05956	3.3
279.59549	0.4
294.27200	0.3
340.17093	0.3
345.38803	0.3
353.08728	3.7
354.09143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
59.01383	1.2
64.95299	0.2
67.01899	0.3
69.79658	0.5
69.80065	0.5
71.01382	0.5
73.02962	0.3
73.33946	0.1
79.88082	0.1
81.03481	0.2
83.05034	0.2
85.02441	0.4
85.02956	7.1
86.03298	0.2
87.00893	1.5
93.03466	2.6
98.20572	0.2
99.04500	0.3
99.98208	0.2
109.02975	0.6
109.66899	0.2
111.04514	0.9
112.45736	0.1
127.04033	1.7
133.02966	0.6
135.04520	0.7
137.02431	0.2
155.03661	0.1
161.02438	2.3
171.03035	0.7
173.04543	1.3
179.03429	0.7
191.05623	100.0
192.05978	4.1
216.04488	0.2
353.08798	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	353.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.7
59.01374	3.6
59.27505	0.5
61.98807	0.7
67.01894	3.6
69.03446	1.2
69.46851	3.1
69.47267	1.7
71.01380	2.4
72.72717	0.5
81.03465	1.0
83.01357	0.5
83.05024	1.1
85.02960	9.6
87.00887	2.1
93.03466	23.1
94.78963	0.5
98.19818	0.8
99.04556	0.7
107.05043	0.6
109.02952	1.9
111.00880	1.2
111.04534	4.8
113.02431	0.6
123.93235	0.5
127.04027	1.9
129.60808	0.5
133.02948	1.1
134.03784	3.3
135.04547	62.4
136.04855	3.6
137.02455	4.6
155.03522	4.9
156.41502	0.4
161.01349	0.7
161.02467	4.2
162.02779	0.6
169.00928	0.5
171.03047	0.8
173.04570	100.0
174.04887	5.6
179.03516	63.3
180.03841	4.4
181.12784	0.5
191.05627	64.5
192.05956	4.1
353.08792	16.2
354.09244	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	351.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
59.01376	100.0
60.01709	1.8
61.98824	1.4
70.07220	0.4
71.01389	1.9
71.61610	0.7
71.61987	0.9
73.33324	0.5
74.02497	0.7
75.00879	1.0
85.02973	1.1
93.03471	0.7
96.96031	0.7
101.02427	0.9
122.03805	0.6
123.08179	1.9
125.09743	8.4
126.10044	0.6
131.06160	0.6
133.02991	1.2
152.03549	13.7
152.04697	1.0
153.03909	4.5
169.08763	1.1
173.04584	0.8
174.06789	0.6
177.04034	0.8
187.09778	18.3
188.10126	1.2
191.05641	0.6
202.19408	0.6
203.08388	0.9
245.09189	3.1
308.12573	0.8
321.83582	0.6
351.11728	0.8
351.16595	6.9
352.17459	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16418	0.2
55.01872	0.2
56.91010	0.2
59.01378	100.0
60.01715	1.1
68.47105	0.2
68.55479	0.2
69.37952	1.4
69.38381	1.2
71.01373	1.5
73.02966	0.7
83.01389	0.2
85.02968	0.9
93.64323	0.3
96.15188	0.2
101.02464	2.3
108.81797	0.3
113.02489	0.7
117.02038	0.2
119.35944	0.2
133.02988	0.3
138.16241	0.3
141.21770	0.2
161.04607	1.1
162.04971	0.2
166.01860	0.2
224.92136	0.2
261.39325	0.3
291.18158	6.4
292.18549	0.4
297.62021	0.2
304.40018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
59.99004	0.2
61.98827	100.0
69.39426	0.6
69.39844	1.7
79.30936	0.2
85.02937	0.3
87.00890	0.3
93.03471	0.3
98.19888	0.3
99.18307	0.2
173.04637	0.3
189.26833	0.3
191.05609	4.4
352.13321	0.5
353.08942	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0878
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
56.71885	0.3
58.12423	0.3
59.01376	1.1
61.24051	0.3
67.01891	0.7
70.72666	0.8
71.01379	0.8
85.02958	6.2
87.00896	1.4
93.03461	4.3
101.02512	0.3
109.02953	0.6
111.04532	1.7
127.04022	1.5
133.02956	0.5
134.03741	0.6
135.04539	8.1
136.04851	0.6
137.02486	0.6
138.61317	0.3
155.03491	0.4
158.18677	0.3
161.02435	1.7
171.03008	0.4
173.04562	10.0
174.04942	0.8
179.03514	7.8
180.03810	0.4
191.05617	100.0
192.05957	5.5
270.87119	0.4
275.87466	0.3
353.08609	3.8
354.09134	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59789	0.2
59.01374	0.5
69.66798	1.1
69.67223	0.4
70.61203	0.2
72.83559	0.2
79.58690	0.2
80.19854	0.2
85.09252	0.2
86.21024	0.2
90.30618	0.2
93.03477	0.4
94.42925	0.2
101.98058	0.2
133.02962	0.6
144.04564	100.0
145.04921	6.5
170.93660	0.2
173.04497	0.2
215.05676	0.2
228.06625	0.3
306.09879	1.1
307.10327	0.2
307.26706	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13329	0.4
54.64132	0.4
55.01882	1.0
57.03445	2.2
58.00598	0.8
59.01376	17.1
61.98828	20.5
67.01871	1.0
68.99813	1.1
69.03480	0.7
69.60910	3.5
71.00990	0.7
71.01382	12.9
72.99308	3.4
73.02953	1.5
75.00876	13.5
83.01381	0.8
85.02956	14.8
86.03253	0.5
87.00883	6.5
89.02452	2.9
93.03474	1.5
95.01392	4.3
99.00887	8.3
101.06089	100.0
101.35241	0.4
102.06418	3.4
103.00384	1.6
111.08140	0.8
113.02462	18.7
114.02769	0.6
115.00365	1.8
117.01952	2.3
129.01945	1.5
133.02971	5.0
135.04555	0.6
140.27055	0.5
157.01404	0.9
173.04565	1.7
175.02490	2.7
177.01971	1.3
177.04256	0.5
191.05670	1.0
205.06981	0.6
212.05724	1.1
215.05611	1.3
231.05153	1.6
249.06139	15.9
250.06337	0.7
267.07169	0.8
291.10858	0.7
333.11871	2.9
351.12949	79.8
352.13318	6.4
359.21887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98829	100.0
62.98539	0.9
63.99258	1.5
71.10645	0.4
71.10965	0.7
108.97668	0.4
108.98425	0.4
119.53264	0.3
127.01884	0.3
141.23373	0.3
162.98494	1.4
180.64609	0.4
204.00064	1.7
205.00121	5.1
205.99741	7.4
206.97453	57.1
207.97556	4.5
272.01706	0.4
277.36700	1.8
277.86633	5.0
278.36642	2.7
278.86432	1.0
304.17886	0.4
308.54633	0.4
317.34695	1.2
317.84451	2.6
318.34396	1.0
318.84290	1.2
348.31812	2.8
348.81738	6.4
348.98196	0.5
349.31729	3.2
349.81784	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	349.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.9
67.72791	2.0
69.48593	18.8
69.48916	2.6
71.01376	12.8
78.95863	2.3
85.78643	2.0
89.02457	18.5
101.02448	11.0
113.02480	5.6
119.03537	4.8
131.03481	3.1
140.02707	2.1
151.06139	12.7
179.05627	9.2
313.11377	100.0
314.11777	5.8
349.09015	45.1
350.09464	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	349.114
Annotation	Prodiamine
Peak:m/z	Relative Intensity
51.72647	0.9
53.72653	0.9
55.01868	1.4
55.82717	0.9
57.03444	6.8
58.00584	2.4
59.01376	41.1
59.01677	2.1
60.86802	0.8
61.98818	2.7
68.80574	0.8
69.03458	2.7
71.01383	30.9
72.01736	0.9
72.99314	3.8
73.02944	5.7
75.00875	24.1
76.16338	0.9
83.01395	2.7
85.02956	17.9
87.00879	11.7
89.02448	18.3
89.02985	1.1
95.01389	1.3
96.04586	1.1
97.02975	4.9
99.00887	7.7
99.04510	1.2
101.02456	13.6
109.06602	12.7
111.00895	2.1
113.02461	9.9
119.03526	7.6
125.09754	1.0
127.07663	69.5
128.07990	2.0
129.01955	16.3
132.98253	0.9
135.93898	0.9
141.01961	4.9
143.03543	2.7
151.07558	1.2
153.05615	1.2
159.03009	5.2
161.04561	4.7
164.07231	1.2
169.08740	2.7
170.65567	1.0
171.06651	30.6
172.07042	1.3
177.04060	57.7
178.04445	2.1
179.05661	3.0
187.13429	2.1
195.05151	12.1
287.10504	2.1
301.10748	1.8
305.11346	1.0
327.03497	1.0
331.10352	17.7
332.10727	1.8
337.33234	1.0
349.11404	100.0
349.18054	15.2
350.11877	11.0
350.18961	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11907	0.2
59.01366	1.4
61.98830	100.0
62.98542	0.2
63.71820	0.2
65.00325	0.2
69.31961	0.2
71.57101	0.3
93.65359	0.2
96.96030	0.2
99.13733	0.2
106.31581	0.2
107.01405	0.4
135.04565	1.3
151.00389	1.4
173.04601	0.2
179.53976	0.2
191.05724	0.2
208.99222	0.8
236.68442	0.2
237.77231	0.2
266.49164	0.2
274.03741	0.2
287.05511	1.1
351.22025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1711
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01868	1.1
57.03433	1.2
58.00580	1.8
59.01379	37.3
60.01706	0.5
61.98808	0.5
62.73238	0.5
71.01385	22.3
71.61952	0.8
72.99305	1.6
73.02955	2.4
75.00862	1.0
81.07094	0.5
83.01373	1.8
83.54453	0.4
85.02959	4.8
87.00877	0.9
89.02445	14.1
95.01380	1.1
99.00870	1.0
101.02457	12.1
108.45303	0.4
113.02451	7.2
119.03507	5.4
143.03503	0.4
155.10788	3.0
161.04532	0.6
167.10796	12.3
168.11166	0.8
169.12282	0.8
177.04224	0.4
179.05515	0.6
185.11838	6.9
186.12062	0.5
199.09717	1.9
329.16107	0.6
347.17099	100.0
348.17404	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	348.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06309	0.4
59.01067	0.4
59.01376	13.3
61.98829	100.0
71.01390	5.0
71.56201	0.6
72.99317	0.8
73.02946	1.1
75.00876	0.8
76.66457	0.3
83.01377	0.6
85.02958	2.0
87.00880	0.8
89.02458	2.6
94.50928	0.4
97.01227	0.5
97.06607	0.4
99.00877	0.7
101.02462	2.8
108.04583	0.6
110.06128	1.5
111.00897	0.5
113.02473	1.3
119.03559	1.0
119.05065	0.4
122.06088	0.5
123.04559	1.1
123.08172	0.4
124.04897	0.9
125.02567	0.5
127.07702	1.9
129.01967	0.6
136.07651	0.5
138.05592	0.5
139.46834	0.5
141.00270	0.4
151.04031	0.5
153.05600	0.5
161.04568	0.6
167.07140	0.6
168.06702	0.8
169.08743	2.6
171.06699	1.4
174.01680	3.1
177.04053	1.4
179.05650	0.6
180.82620	0.3
190.84151	0.4
195.05139	0.9
211.06085	0.6
233.13010	0.5
271.05896	2.2
276.99515	0.4
277.11801	2.2
286.08261	0.5
301.10858	2.5
348.13412	0.5
349.11243	2.6
349.15176	10.2
349.19232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.3
60.01696	0.4
61.98828	100.0
70.09834	1.7
75.24294	0.4
78.95906	0.4
91.18575	0.3
105.25662	0.3
130.33656	0.4
201.02487	0.9
202.02715	3.7
203.02275	3.2
203.99992	53.8
205.00116	4.5
212.04213	0.3
246.82634	0.3
275.17603	0.3
346.01099	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21641	0.4
59.01376	0.8
59.55328	0.5
61.98831	100.0
69.66226	3.1
69.66623	0.9
86.77290	0.5
90.19451	0.5
98.79559	0.4
99.29583	0.5
121.03007	0.8
122.03277	0.7
173.04532	0.6
173.41333	0.5
186.30243	0.5
285.85306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	46.8
61.98827	2.9
68.01406	0.6
70.02985	0.4
71.01385	10.2
71.26804	0.4
71.64482	0.7
72.91362	0.5
72.97517	0.5
73.02957	2.3
75.00896	0.8
78.95889	2.5
83.01410	0.8
83.05026	0.5
84.00919	0.6
85.02962	3.0
85.24142	0.4
87.00878	0.8
89.02449	1.8
93.03458	1.0
94.06638	0.4
95.01371	0.7
95.05036	4.1
96.96976	0.6
97.02956	1.1
99.00930	0.6
101.02438	3.0
108.04603	0.8
110.02491	0.6
111.04565	0.5
112.04060	31.2
113.02455	2.9
113.04404	1.3
116.49085	0.4
119.03511	1.0
119.06519	0.5
120.70764	0.4
122.03761	1.0
122.06136	1.1
123.04525	1.5
124.03191	0.7
124.04060	10.4
124.04876	0.5
125.02437	3.1
125.06087	0.7
126.05620	3.4
129.01895	0.6
138.05624	1.4
138.09270	0.5
140.07195	4.3
141.05606	0.6
143.03481	0.5
143.43515	0.4
153.04323	0.5
154.05106	7.2
154.08646	0.5
154.59041	0.5
155.05453	0.6
159.02943	0.5
161.04565	5.0
164.07147	0.9
166.05110	100.0
167.03621	0.5
167.04036	0.5
167.05501	5.2
167.06963	0.8
169.01343	0.5
173.04555	1.1
179.05685	0.5
182.08238	29.0
183.08623	2.2
184.06148	13.6
185.06468	1.0
185.08035	0.5
191.05637	1.0
195.05170	0.7
197.12970	0.4
208.06230	1.0
211.56013	0.5
226.07214	9.5
227.07480	0.6
246.42877	0.4
256.08304	0.9
286.09451	1.1
328.10440	4.7
346.04938	1.0
346.11465	27.4
347.12292	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	347.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01376	100.0
60.01703	1.8
60.46171	0.6
61.98832	4.9
64.48594	0.5
69.91339	0.5
69.97693	1.7
69.98101	1.4
71.01387	11.8
72.97533	1.0
72.99308	0.9
73.02953	3.4
75.00888	0.9
83.01391	1.2
85.02947	3.7
87.00883	1.4
89.02457	3.1
97.02955	1.7
98.20557	0.6
99.00878	1.6
101.02448	6.9
106.50478	0.6
109.03007	0.7
112.04053	5.1
113.02460	5.9
113.04385	1.1
116.92947	0.8
119.03513	1.5
121.03042	0.8
123.00890	0.6
123.04550	1.6
124.04089	2.4
125.02465	8.2
125.04427	0.8
125.06084	1.2
126.05672	1.0
138.05652	1.5
139.00352	0.6
140.07188	0.9
143.03520	0.9
144.04590	0.9
154.05122	0.7
155.05463	0.6
159.02988	1.3
161.04584	10.2
161.05894	0.8
163.04028	0.7
165.01929	0.7
166.05101	8.5
166.06279	0.7
167.05496	7.7
167.06879	1.1
167.55235	0.6
177.04050	1.2
181.07335	0.7
182.08234	1.5
183.08650	2.5
184.06171	5.6
185.04587	0.8
185.06563	0.9
191.05594	0.8
192.80887	0.5
195.05186	1.7
198.25827	0.6
227.07594	0.7
238.40358	0.6
329.10770	1.2
331.97794	0.7
347.06171	0.7
347.12759	3.2
348.12753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
57.03438	0.8
58.07938	0.3
59.01375	6.6
61.98818	0.4
66.03463	0.6
68.99818	0.4
69.03423	0.5
69.35159	1.3
69.35590	2.0
71.01383	3.8
72.99300	0.5
73.02943	4.3
75.00885	3.7
81.62472	0.4
85.02951	2.8
87.00886	4.5
89.02437	1.1
93.03482	0.9
99.00904	1.1
101.02443	2.1
108.62613	0.3
113.02461	1.3
113.99537	0.5
115.00393	0.6
119.03525	0.6
129.01956	1.1
135.08180	1.0
135.37274	0.4
137.09727	7.4
137.10716	0.6
138.10150	0.4
147.02980	0.9
155.10789	100.0
156.11133	6.2
161.04597	0.9
167.10777	0.8
173.04552	1.3
177.04030	2.1
179.10722	0.4
181.08621	0.5
185.11862	0.8
187.04868	0.4
191.05605	1.0
199.09763	77.6
200.10118	5.2
241.10757	0.4
259.08304	2.0
277.05707	0.6
300.84250	0.4
347.13431	16.1
347.17178	3.5
348.10321	4.5
348.14258	0.6
348.17377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1093
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.05523	0.7
51.32226	0.8
57.03447	0.8
59.01379	11.9
67.01891	2.2
69.03435	1.0
71.01390	5.0
71.65755	1.1
73.02940	1.9
81.03461	0.8
83.05023	1.2
84.04537	0.8
85.02966	2.8
87.00871	2.0
89.02432	1.7
93.03468	9.7
94.02984	1.0
95.03782	1.6
96.04516	0.7
96.08188	0.9
96.33710	0.6
97.01658	0.7
101.02444	2.5
104.05065	0.7
106.06650	4.6
109.02953	1.4
111.04530	2.4
113.02484	1.6
116.04601	0.7
119.05089	0.7
122.06158	2.5
124.07709	4.4
132.04575	32.4
133.05373	21.4
134.06166	5.6
137.02460	2.1
148.04044	2.4
150.05539	1.0
153.09225	24.1
154.09547	1.4
155.03526	2.6
161.04521	0.7
165.04318	21.8
166.04625	0.9
173.04570	30.6
176.03610	1.0
177.04248	3.4
178.05063	1.9
183.10266	4.5
184.07614	0.8
185.08604	0.9
186.09198	3.9
191.05624	15.9
195.08218	1.1
197.08185	16.1
197.09776	3.9
197.11388	0.9
198.08640	0.7
209.03325	3.7
213.06709	3.1
214.12355	6.1
215.11893	5.5
226.07385	0.7
229.09795	3.9
240.10367	1.3
241.09604	2.6
257.12967	20.6
258.13156	2.4
259.07175	2.1
283.10880	6.9
301.11926	14.7
302.12570	1.0
327.09885	1.1
345.10944	100.0
346.11285	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	345.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65518	0.3
59.01379	24.1
60.01711	0.5
61.98831	0.4
62.51757	0.3
62.99885	0.3
71.00201	0.8
71.01378	0.8
72.99281	0.3
73.02966	0.4
85.02984	0.3
89.02448	0.4
89.36926	0.3
93.03467	4.9
101.02477	0.5
111.31699	0.3
113.02501	0.4
121.02974	24.8
122.03304	1.2
123.04539	100.0
124.04874	4.7
137.42722	0.3
138.05618	1.4
139.03996	0.5
160.66205	0.3
161.04567	0.4
164.03632	0.4
173.04616	0.5
181.01596	0.4
185.45584	0.3
191.05554	0.4
285.09811	2.9
286.10159	0.4
345.08203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
57.98365	0.5
59.01376	66.6
60.01727	0.5
60.62951	0.5
61.98835	3.1
71.01379	4.1
71.05018	8.1
71.52284	0.7
73.02952	0.7
75.00899	0.6
78.95907	6.3
83.01376	2.4
85.02943	1.6
87.47112	0.5
89.02455	0.8
93.03457	1.7
95.01387	0.8
95.05031	4.7
96.96963	1.5
97.02960	15.3
99.00862	1.0
101.02455	3.3
109.02996	0.8
111.00876	0.7
111.02007	0.8
111.04538	0.5
113.02457	1.8
115.44084	0.5
118.98064	0.5
121.02961	1.2
123.00916	2.4
123.04535	69.0
124.01698	0.8
124.04869	2.9
134.04697	1.1
135.04553	2.0
137.02428	2.4
138.01981	0.6
138.64507	0.6
139.00449	3.5
139.04025	100.0
140.04372	4.1
151.00471	0.6
152.56075	0.5
153.01913	1.0
159.02965	0.5
161.04558	4.9
163.04041	3.7
165.01968	0.8
166.05106	0.6
166.99850	1.2
173.04550	1.1
182.02284	0.8
182.99365	1.1
183.02975	2.2
183.06653	0.7
186.93794	0.5
207.03029	1.3
211.00142	1.1
213.05156	1.7
216.70580	0.5
220.95505	0.5
285.09711	1.5
309.11899	2.3
316.35016	0.6
345.04501	1.1
345.08228	14.5
345.12070	0.8
346.05423	1.6
346.08878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1556
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
50.39719	0.9
50.59929	1.1
55.01867	3.9
57.03439	3.9
58.00591	4.0
59.01378	91.1
60.01715	1.9
61.98829	2.2
66.60838	1.2
66.93188	1.3
71.01385	67.3
71.65942	1.6
72.99307	3.3
73.02945	8.5
75.00849	1.8
83.01391	7.1
83.05042	1.2
83.68758	1.1
85.02953	22.1
87.00897	4.2
89.02452	44.2
90.02752	1.2
93.03472	8.8
94.83853	1.1
95.01405	3.5
97.02948	1.4
99.00890	4.1
101.02455	41.7
102.02811	1.7
111.04546	1.6
113.02458	23.3
113.06039	1.3
119.03518	19.9
121.10242	12.1
125.02475	1.6
131.03482	2.4
132.04581	1.9
133.05374	1.5
134.06151	1.3
137.02464	1.7
139.11288	3.7
143.03506	2.6
153.09236	9.5
155.03561	1.9
155.10815	3.0
161.04564	5.1
165.04222	2.0
165.09232	3.3
168.42625	1.3
173.04535	11.2
177.04221	1.5
179.05669	2.0
180.97995	1.1
183.10280	8.0
191.05624	27.5
197.08238	3.8
197.09808	2.0
199.09784	2.0
199.17290	1.2
216.04222	1.3
225.11218	1.4
243.12384	9.8
244.12726	1.2
257.12888	1.6
259.07263	1.9
285.13327	6.3
288.65399	1.6
301.11829	1.5
301.16425	1.6
301.25577	1.4
345.11093	7.3
345.15543	100.0
346.11490	2.7
346.15921	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	345.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
55.51894	0.3
59.01374	37.7
60.01730	0.4
61.98835	1.6
62.23584	0.3
71.01381	2.9
71.05017	8.5
71.58498	0.5
72.99306	0.8
73.02937	0.6
75.00842	0.5
78.95908	1.9
83.01372	1.6
83.02126	0.3
85.02955	1.1
87.00850	0.4
89.02446	0.5
93.03453	2.6
95.01377	1.0
95.05023	3.4
97.02957	12.8
98.03268	0.5
101.02457	1.4
109.02915	0.4
111.00880	0.8
113.02459	1.0
121.02908	0.5
123.00904	1.2
123.04533	38.1
124.01649	0.6
124.04875	1.2
134.04768	0.5
135.04524	1.5
137.02443	3.2
138.03221	0.5
138.05602	0.5
139.00424	3.0
139.04019	100.0
140.04341	5.2
153.01930	0.8
153.05545	0.6
161.04536	2.9
163.04022	2.6
165.01958	0.5
165.05661	0.3
166.05151	0.5
166.99814	0.6
167.03568	0.3
173.04510	0.5
177.04085	0.4
179.03532	0.5
181.05058	0.8
182.02223	0.4
182.99335	1.2
183.03020	1.8
183.06599	0.6
184.06079	0.4
191.05516	0.8
193.04974	0.4
197.04544	0.9
207.03035	0.8
208.94363	0.3
211.00139	0.8
216.82959	0.3
248.21033	0.4
285.09720	1.0
309.11807	1.1
345.04721	1.1
345.08279	13.8
345.12457	0.8
346.08508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
56.55157	0.7
57.03441	2.3
58.00605	3.7
59.01376	100.0
59.32117	0.9
60.01711	2.2
61.01792	2.6
62.48186	1.0
70.64789	2.7
71.01384	58.5
72.00348	1.0
72.01722	1.8
72.99310	5.0
73.02944	6.0
77.11217	0.7
79.58762	0.7
83.01407	4.2
85.02956	12.9
87.00883	2.4
87.51949	0.9
89.02448	65.0
90.02773	2.3
91.02874	1.6
95.01408	3.1
97.02975	1.2
98.19810	0.8
101.02450	43.8
102.02793	1.0
103.04057	0.9
109.02960	1.1
113.02460	22.0
114.02801	1.1
119.03516	28.7
120.03843	1.1
121.03952	1.2
121.05149	1.1
131.03519	3.6
133.01448	1.1
143.03529	6.2
144.83154	0.8
146.44141	0.7
149.04552	2.4
161.04576	9.2
163.06137	6.5
179.05627	20.9
180.05968	1.2
181.05716	1.8
181.07213	30.0
182.07475	1.3
193.70061	0.8
283.10345	1.9
283.28525	1.0
328.26028	0.7
343.12430	95.1
344.12808	9.6
361.82736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43896	0.6
50.81231	0.6
56.78713	0.6
57.03414	0.7
59.01375	30.9
60.01727	0.7
61.98831	9.3
71.01388	5.2
71.58483	1.2
72.01741	0.7
72.97565	0.6
72.99330	1.0
73.02945	0.8
75.00858	0.8
78.03500	0.9
85.02961	2.7
87.00914	0.8
89.02459	4.0
93.03467	2.2
95.01401	2.1
95.49637	0.6
97.02969	0.6
101.02464	3.1
109.02945	1.4
109.93742	0.7
111.00876	1.5
113.02471	3.6
117.34635	0.7
118.98125	0.7
119.03485	1.5
119.05007	1.3
121.02938	4.2
121.82583	0.7
122.02492	100.0
123.00923	1.1
123.02840	3.7
123.04523	11.2
125.02467	0.8
135.04543	0.8
136.04022	4.5
136.04932	0.8
137.02458	1.3
137.06044	0.7
138.01886	0.6
138.05630	1.3
139.00386	4.5
139.04036	4.6
145.02998	0.7
151.00381	0.6
151.03970	0.8
153.01917	1.3
154.02284	1.3
156.29242	0.7
161.02472	0.7
161.04553	1.9
163.04033	1.8
164.03517	2.7
164.07240	0.9
165.01897	0.8
165.05614	1.3
166.02451	0.7
173.04541	0.9
181.05087	2.2
182.99327	1.1
183.02972	1.3
183.06631	9.9
191.05635	1.2
192.66689	0.6
231.73267	0.6
326.09235	0.7
327.10965	0.9
344.07077	2.7
344.10263	1.8
345.04654	1.2
345.08313	2.4
345.11990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.8
57.21722	0.6
58.00588	2.0
59.01376	56.5
60.01693	1.8
61.25450	0.6
61.98827	100.0
63.99261	1.4
64.72248	0.6
71.01382	22.7
71.05024	5.0
71.58154	1.1
72.01727	1.0
72.54996	0.8
72.99309	2.4
73.02961	1.9
74.25066	0.6
75.00862	0.8
75.76105	0.6
78.35919	0.7
78.95902	0.9
83.01406	1.7
85.02943	5.8
87.00889	3.0
89.02448	21.0
92.05073	4.5
93.03462	1.5
95.01397	1.9
95.05023	3.7
96.95979	0.6
97.02962	17.5
99.00887	2.2
100.01173	0.7
101.02445	13.0
102.02792	0.8
108.04509	1.1
109.02988	1.0
111.00917	1.1
113.02463	7.5
116.28786	0.7
119.03544	8.8
119.05021	8.4
120.04550	12.3
120.05378	6.7
121.02951	6.2
121.04903	0.6
122.03299	2.6
122.06145	3.7
123.04514	3.0
134.55373	0.6
135.04524	14.2
136.04076	4.3
137.02446	1.9
138.05624	21.0
139.00385	2.7
139.04025	78.2
139.05800	1.9
143.03586	1.1
147.04546	2.0
153.01877	0.9
153.05533	1.7
157.03610	0.8
161.04587	1.0
163.03972	0.9
164.03542	42.0
164.98308	0.8
165.01958	9.3
165.03987	3.2
165.05391	0.8
176.00528	3.6
179.03505	0.9
179.05597	2.5
180.06696	0.8
181.05038	1.2
181.07114	0.8
182.05429	1.5
182.07489	1.0
182.99284	0.9
183.02988	5.5
183.06610	5.4
201.00868	1.2
201.02550	10.8
201.98494	5.5
202.02698	7.3
203.02228	3.5
300.10825	9.2
301.05664	0.9
301.11130	0.9
303.04144	2.4
309.07959	0.8
344.09805	56.3
345.04749	1.6
345.08072	31.3
356.94580	0.8
360.03476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01871	2.0
56.74401	0.6
57.03445	1.4
58.00600	0.7
59.01384	11.4
67.01909	0.6
68.99809	1.0
69.56447	4.7
71.01388	15.2
72.99302	1.4
73.02947	7.1
75.00882	1.0
83.01385	3.2
85.02960	8.6
87.00871	1.7
89.02443	2.0
89.90483	0.5
93.03468	22.1
94.03796	1.1
95.01394	2.7
96.99311	0.9
99.00902	2.4
101.02448	15.5
109.02963	0.7
111.00801	0.6
113.02467	7.5
121.02955	3.1
123.00888	2.8
129.01895	0.7
134.03783	0.9
135.04544	1.4
136.01692	2.5
137.02460	66.8
138.03305	4.9
143.03545	1.0
149.55032	0.6
153.05574	2.5
154.05783	0.6
161.04578	2.3
163.03993	1.0
166.99849	1.5
179.03452	0.8
180.04323	1.4
181.01279	0.6
182.02199	4.0
186.41196	0.6
197.04539	12.4
210.04166	0.6
221.04523	1.2
223.08264	1.0
281.06677	1.1
285.13629	0.6
343.10321	100.0
344.10638	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	343.1247
Annotation	maltitol
Peak:m/z	Relative Intensity
55.01879	1.9
56.55157	0.7
57.03441	2.3
58.00605	3.7
59.01376	100.0
59.32117	0.9
60.01711	2.2
61.01792	2.6
62.48186	1.0
70.64789	2.7
71.01384	58.5
72.00348	1.0
72.01722	1.8
72.99310	5.0
73.02944	6.0
77.11217	0.7
79.58762	0.7
83.01407	4.2
85.02956	12.9
87.00883	2.4
87.51949	0.9
89.02448	65.0
90.02773	2.3
91.02874	1.6
95.01408	3.1
97.02975	1.2
98.19810	0.8
101.02450	43.8
102.02793	1.0
103.04057	0.9
109.02960	1.1
113.02460	22.0
114.02801	1.1
119.03516	28.7
120.03843	1.1
121.03952	1.2
121.05149	1.1
131.03519	3.6
133.01448	1.1
143.03529	6.2
144.83154	0.8
146.44141	0.7
149.04552	2.4
161.04576	9.2
163.06137	6.5
179.05627	20.9
180.05968	1.2
181.05716	1.8
181.07213	30.0
182.07475	1.3
193.70061	0.8
283.10345	1.9
283.28525	1.0
328.26028	0.7
343.12430	95.1
344.12808	9.6
361.82736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93830	0.7
54.44520	0.7
57.14553	0.7
58.00591	0.8
59.01375	11.6
61.98827	1.6
69.03460	1.7
71.01384	8.7
71.59114	1.0
72.99280	0.8
83.01376	0.8
83.05026	1.6
84.02174	12.3
85.02945	1.0
85.50230	0.6
89.02444	9.3
97.02963	5.1
97.06609	5.5
99.04526	3.2
101.02439	4.3
113.02460	3.0
118.08277	0.7
119.03514	3.0
119.05003	1.7
119.08610	1.6
125.09731	1.0
127.11295	0.9
131.03499	0.7
135.08179	1.0
137.09673	1.7
143.03481	2.1
151.00340	1.7
151.11194	0.7
161.04587	1.2
171.10280	35.8
172.10608	1.7
179.05649	3.6
193.12340	8.1
197.15590	0.8
211.13373	1.8
221.11758	1.0
225.14986	10.3
226.15312	1.1
243.15926	4.3
253.14473	0.9
281.12411	1.2
341.10818	5.7
341.23331	100.0
342.10965	0.9
342.23679	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09367	0.3
53.10212	0.3
57.03437	0.8
59.01371	4.5
61.98813	0.9
69.03466	2.2
70.88828	0.7
70.89159	0.4
71.01387	2.8
76.54576	0.3
81.03452	0.4
83.01376	0.3
83.05021	1.1
84.02169	5.3
85.02959	0.7
89.02441	3.1
95.05031	0.7
97.02971	2.1
97.06596	10.7
98.06952	0.4
98.19866	0.3
99.04519	1.9
101.02493	1.5
111.08205	0.4
113.02460	0.8
119.03519	1.1
119.05035	0.4
119.08700	0.6
121.10242	0.4
125.09737	1.4
127.11299	0.9
135.08183	0.7
136.44315	0.3
137.09782	1.5
139.11322	0.3
143.03566	0.4
149.13356	0.4
151.00348	0.8
151.11282	0.6
153.09207	0.9
155.10825	0.4
161.04576	0.3
163.11198	0.3
165.12845	1.2
171.10280	15.6
172.10626	1.0
175.11275	0.9
179.05571	0.9
185.11766	0.6
193.12344	14.8
194.12685	1.2
197.11940	0.5
197.15419	0.8
209.11815	0.6
211.13379	2.7
212.13841	0.3
221.11848	1.0
225.14960	19.2
226.15225	1.5
243.16020	7.0
244.16296	0.5
253.14330	1.1
291.19592	1.3
323.22183	0.4
341.10797	1.8
341.23331	100.0
342.23657	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	341.2698
Annotation	MEDICA 16
Peak:m/z	Relative Intensity
59.01363	2.9
60.94795	0.5
61.98817	1.8
67.15166	0.7
71.01392	1.5
71.55380	0.9
71.55769	0.8
76.21471	0.6
89.02452	2.0
93.19323	0.6
101.02443	0.9
113.02480	0.9
116.25726	0.8
119.03529	1.1
145.46825	0.6
179.05524	0.7
277.25290	0.9
279.26913	66.4
280.27222	7.1
297.28024	1.4
299.48221	0.8
304.51233	0.6
320.74033	0.6
323.25888	21.1
324.26254	2.6
335.07578	0.7
341.26965	100.0
342.27295	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	343.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14151	0.2
59.01377	81.9
60.01716	0.8
61.98843	0.4
70.61612	0.6
98.20560	0.2
113.04591	0.2
115.02533	0.2
117.00457	0.2
132.13121	0.2
157.03574	6.4
158.03777	0.5
159.01508	3.6
160.01686	0.3
201.02557	100.0
202.02708	10.2
226.16685	0.2
299.70242	0.2
343.03732	3.9
344.03958	0.8
357.89423	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.306
Annotation	21-hydroxy-heneicosanoic acid
Peak:m/z	Relative Intensity
51.81538	0.8
59.01376	4.4
61.98827	1.7
63.73930	0.8
68.74207	0.8
70.52999	2.1
70.53401	1.6
71.01375	1.1
73.78391	0.9
87.24224	0.9
87.67644	0.8
89.02451	1.5
101.02451	0.8
117.89924	0.9
126.84709	0.9
163.11388	1.0
164.11629	1.2
185.00784	2.7
281.24796	1.1
295.30127	3.2
341.20401	7.1
341.30597	100.0
342.30954	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	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03448	2.2
58.00600	3.8
59.01377	100.0
60.01707	1.7
70.83635	0.9
70.83970	1.2
71.01383	70.2
72.01730	2.1
72.99303	3.5
73.02962	2.0
75.00867	1.2
83.01379	2.0
85.02956	9.1
86.99403	0.5
87.00886	3.4
89.02450	79.8
90.02784	1.6
95.01403	3.6
95.82552	0.5
97.02978	0.7
99.00855	0.9
101.02452	30.9
102.02797	0.8
113.02460	26.8
114.02812	1.3
115.04048	0.7
116.01357	0.5
119.03516	29.3
120.03853	0.6
125.02509	0.7
131.03506	4.4
133.02927	0.5
135.04549	1.0
143.03520	7.7
143.52504	0.5
147.48915	0.5
149.04561	7.4
158.41377	0.6
159.03023	0.8
160.06236	0.5
161.02560	2.6
161.04570	9.8
162.04901	0.6
163.04022	0.9
179.05621	38.0
180.06010	1.3
341.10904	53.2
342.11169	3.7
348.32404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03449	2.1
58.00592	3.5
59.01378	100.0
60.01720	1.0
62.63910	0.5
70.79235	1.1
70.79635	1.2
71.01384	68.2
72.01726	1.5
72.99315	3.4
73.02951	2.0
75.00867	3.7
83.01391	2.3
85.02953	10.6
87.00880	4.8
89.02449	86.4
90.02823	1.7
95.01412	3.1
97.02996	1.0
99.00889	0.8
101.02452	32.6
102.02805	1.1
105.94066	0.5
113.02466	26.2
114.02798	0.7
119.03513	30.2
119.04971	1.1
120.03883	0.8
125.02483	1.2
129.01932	1.0
131.03520	4.7
143.03522	9.1
149.04564	6.5
161.02518	0.7
161.04564	9.4
163.04071	3.0
168.86574	0.5
179.05623	37.4
180.05992	1.6
195.05159	1.5
281.12253	0.8
320.81049	0.7
341.10898	60.9
342.11349	5.1
346.23557	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11456	9.8
55.37340	10.3
55.77292	11.0
59.01379	100.0
65.41086	9.0
66.93877	10.0
69.59473	87.0
71.01381	75.4
75.00851	12.9
75.94973	8.7
77.07180	9.3
87.01015	9.8
89.02450	63.9
93.03437	10.7
101.02448	33.4
103.94034	11.1
113.02466	23.8
119.03489	27.3
119.05043	13.0
123.04543	12.2
143.03513	13.3
143.10814	54.4
151.00395	12.8
151.04092	13.2
161.04488	18.9
163.04068	12.3
177.01895	17.9
179.05618	36.5
179.10773	38.1
189.01961	32.5
191.03404	15.6
217.01343	18.0
231.03017	12.4
309.02774	10.5
341.06595	60.4
341.10645	44.2
341.14117	15.5
342.07028	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	341.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96184	0.6
54.04398	0.6
55.01870	1.5
55.08551	0.7
57.03446	1.8
58.00595	3.5
59.01375	100.0
60.01713	0.9
60.39843	0.7
61.98824	10.3
66.10822	0.6
66.43977	0.6
70.70541	1.8
71.01383	64.8
72.01727	1.0
72.99318	2.3
73.02962	4.0
75.00877	1.5
78.95921	1.2
83.01402	2.8
85.02956	11.9
87.00884	4.1
88.38535	0.6
89.02448	68.9
90.02802	1.1
95.01405	2.9
96.96971	1.6
97.02978	0.9
99.00874	1.3
101.02452	35.3
107.05022	1.4
110.02467	0.7
113.02463	22.8
113.03274	1.1
114.02834	1.3
119.03513	25.0
119.05034	2.5
119.07177	0.8
125.02434	1.2
129.01987	1.0
131.03500	4.0
133.02946	1.5
135.04532	1.1
140.72664	0.7
143.03520	6.6
149.04572	2.5
159.03072	1.1
161.02483	8.3
161.04567	15.1
163.04044	4.6
177.04135	0.7
179.03822	1.3
179.05624	27.9
180.06084	0.9
195.05098	1.6
220.73698	0.6
281.12393	23.2
282.12820	2.9
341.10965	40.1
342.11374	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	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58953	0.5
55.01868	0.6
55.16047	0.6
57.03445	3.5
58.00615	0.6
59.01371	6.7
71.01379	8.7
71.16476	0.9
71.16797	0.7
72.99306	2.6
74.38639	0.5
75.00876	29.9
83.01408	0.7
85.02953	8.8
87.00891	2.3
89.02451	4.0
99.00895	7.1
101.02468	1.1
111.00873	3.0
119.05039	40.9
120.05385	2.4
129.01962	18.6
130.72519	0.5
134.03781	1.6
135.04543	2.2
141.01945	2.1
145.03006	1.5
159.02997	7.1
161.02350	0.8
163.04022	64.0
164.04353	3.8
177.04063	12.7
179.03516	2.5
193.05080	1.8
195.05104	100.0
196.05434	4.4
217.73918	0.6
221.04308	0.6
251.05664	0.9
253.33632	0.6
341.08746	19.4
342.09122	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	341.1088
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01873	0.8
57.03449	1.6
58.00588	3.8
59.01375	100.0
60.01708	1.6
68.14075	0.4
69.03434	0.5
69.43166	4.6
69.43501	0.7
70.86877	0.4
71.01381	70.2
72.01727	1.0
72.99310	2.9
73.02957	1.8
75.00866	1.3
83.01400	1.9
85.02950	10.5
87.00866	4.4
89.02446	79.2
90.02785	1.4
95.01393	4.0
98.19903	1.1
99.00874	1.2
101.02445	32.7
102.02795	1.0
107.03504	0.6
113.01643	0.6
113.02453	25.5
119.03510	28.3
120.03837	0.8
125.02503	1.0
131.03511	4.5
143.03513	7.8
149.04562	2.4
161.04553	11.0
179.05608	38.2
180.06067	1.3
246.97791	0.5
341.10876	54.1
342.11325	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	339.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46983	0.3
59.01378	100.0
60.01720	1.4
61.98829	1.2
65.78726	0.3
70.11728	0.6
70.12149	1.3
71.01386	4.4
72.99310	0.4
73.02961	1.3
75.00854	0.4
81.03469	0.4
83.01405	1.1
85.02956	2.0
87.00919	0.4
89.02492	1.1
93.03475	1.7
95.03164	0.3
99.00885	0.6
101.02463	3.5
113.02451	2.3
119.03565	0.4
119.05058	0.7
135.04514	0.3
135.93799	0.3
137.02460	0.8
143.03494	0.4
148.01758	0.5
159.03050	1.0
161.02544	0.5
161.04555	3.4
163.04044	1.1
164.04350	0.6
173.04573	1.7
177.02007	2.7
177.04099	0.5
187.74014	0.4
191.05568	0.5
193.06084	0.7
252.06401	0.4
277.61435	0.4
279.14487	11.8
280.14966	0.8
327.08984	0.5
339.07556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
55.01889	0.5
58.95285	0.4
59.01377	9.6
61.89478	0.5
71.01382	10.7
71.64005	0.8
71.98941	0.4
72.99301	1.7
73.02937	1.2
75.00876	57.4
76.01236	0.8
83.01424	0.5
85.02950	1.6
87.00884	1.9
89.02442	5.3
99.00903	0.9
101.02457	3.0
102.98831	0.4
105.39316	0.4
113.02459	2.2
117.01937	1.7
118.98089	1.2
119.03510	1.3
119.05004	0.8
121.02967	100.0
122.03302	5.0
129.01930	1.0
134.03751	0.5
135.04543	14.3
136.04851	0.6
137.02423	0.8
143.03481	0.6
147.04662	0.6
148.36426	0.4
149.02452	1.3
161.02422	1.2
161.04620	0.8
161.06027	0.7
163.04051	2.0
164.04796	2.1
177.04077	0.6
179.03482	1.5
179.05592	1.6
179.07130	1.7
179.10794	2.4
193.05066	0.6
195.05049	1.2
217.01326	0.5
219.05098	6.8
223.06134	1.6
251.05469	0.6
281.06622	0.9
341.08716	57.1
341.55508	0.4
342.09100	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	341.0879
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.93623	0.8
57.03429	2.7
58.00578	0.9
59.01378	13.8
68.73994	0.9
71.01382	14.4
71.28754	1.6
71.29097	1.4
72.99302	4.1
75.00877	18.0
84.02133	1.0
85.02959	11.6
85.05468	0.9
87.00879	2.1
89.02440	6.2
93.03449	1.2
99.00881	9.5
101.02454	2.3
111.00891	1.7
113.02457	1.1
119.03596	2.1
119.05045	60.5
120.05383	3.5
129.01953	19.3
133.02968	22.8
134.03659	1.3
135.04555	13.6
137.02473	1.4
141.01982	1.5
159.03020	7.4
161.02464	93.7
162.02824	6.1
163.04025	100.0
164.04398	6.4
177.04092	16.2
177.05521	1.6
178.02313	1.3
179.03516	26.4
179.05252	1.4
179.05675	1.2
180.03854	1.4
195.05107	86.1
196.05388	3.1
203.03583	2.7
221.04544	1.8
251.05547	1.6
281.06689	1.9
341.08740	33.5
342.08994	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	341.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03444	1.9
58.86282	0.4
59.01378	8.5
69.68408	1.1
69.68813	2.2
71.01376	6.1
72.99306	1.6
75.00874	31.8
83.01417	0.5
85.02955	5.3
87.00874	3.0
89.02461	4.5
93.03468	0.5
93.36027	0.4
97.02914	0.6
99.00885	4.2
101.02467	1.0
111.00877	1.6
113.02505	0.9
119.03592	0.5
119.05038	13.7
120.05400	1.0
129.01956	12.7
134.03720	1.2
135.04529	2.9
137.02467	1.3
141.01953	1.4
159.03006	6.8
161.02477	1.1
162.05612	0.9
163.04021	16.7
164.04388	0.9
168.92055	0.4
177.04068	3.9
179.03503	4.0
193.03545	0.4
193.05141	1.3
195.05104	100.0
196.05452	3.8
243.78484	0.4
250.62808	0.4
251.05472	0.7
257.40427	0.6
341.08722	4.8
342.12091	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03440	4.1
58.00579	2.8
59.01377	100.0
59.03308	1.0
60.01720	1.5
61.98828	72.4
69.03464	1.5
69.68406	4.9
69.68819	2.6
71.01382	59.4
72.01720	1.2
72.99319	4.6
73.02947	17.2
75.00872	13.6
75.85223	0.9
79.10229	1.0
79.48067	1.0
83.01405	5.6
83.05047	1.2
85.02962	14.2
87.00878	9.0
89.02450	48.6
90.02793	1.5
93.03458	5.5
95.01427	4.2
97.02974	1.6
99.00876	7.0
99.04549	3.3
101.02451	31.6
111.00880	3.2
112.98843	4.3
113.02456	19.6
115.00386	1.6
115.04021	1.8
117.05561	2.7
118.58851	1.0
119.03512	18.1
119.05021	3.8
125.02391	1.0
129.01933	3.3
131.03526	2.1
133.02919	1.7
138.01949	2.5
139.02362	1.8
142.98831	1.1
142.99876	3.1
143.03508	5.7
143.04915	1.4
147.02974	1.0
148.76036	1.1
149.04590	2.3
159.03018	2.6
161.04579	20.1
161.05884	2.4
162.04887	1.2
163.04027	5.1
164.04456	2.1
165.04475	1.7
173.00978	1.7
173.04585	6.3
177.01935	12.1
177.04112	1.8
177.05618	2.5
177.11320	1.6
178.04076	1.1
178.86620	1.1
179.05611	8.8
191.03835	1.0
191.05585	3.4
195.05154	2.2
206.50404	1.0
207.08704	16.6
211.07570	2.0
217.04988	1.1
221.04572	1.8
230.06812	3.1
236.34311	1.1
249.09685	5.2
252.06326	2.7
258.66080	1.0
265.08948	2.5
275.48865	1.2
279.10995	2.3
327.08762	2.9
339.07709	10.6
339.12930	16.1
339.16620	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	339.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
57.03440	4.1
58.00579	2.8
59.01377	100.0
59.03308	1.0
60.01720	1.5
61.98828	72.4
69.03464	1.5
69.68406	4.9
69.68819	2.6
71.01382	59.4
72.01720	1.2
72.99319	4.6
73.02947	17.2
75.00872	13.6
75.85223	0.9
79.10229	1.0
79.48067	1.0
83.01405	5.6
83.05047	1.2
85.02962	14.2
87.00878	9.0
89.02450	48.6
90.02793	1.5
93.03458	5.5
95.01427	4.2
97.02974	1.6
99.00876	7.0
99.04549	3.3
101.02451	31.6
111.00880	3.2
112.98843	4.3
113.02456	19.6
115.00386	1.6
115.04021	1.8
117.05561	2.7
118.58851	1.0
119.03512	18.1
119.05021	3.8
125.02391	1.0
129.01933	3.3
131.03526	2.1
133.02919	1.7
138.01949	2.5
139.02362	1.8
142.98831	1.1
142.99876	3.1
143.03508	5.7
143.04915	1.4
147.02974	1.0
148.76036	1.1
149.04590	2.3
159.03018	2.6
161.04579	20.1
161.05884	2.4
162.04887	1.2
163.04027	5.1
164.04456	2.1
165.04475	1.7
173.00978	1.7
173.04585	6.3
177.01935	12.1
177.04112	1.8
177.05618	2.5
177.11320	1.6
178.04076	1.1
178.86620	1.1
179.05611	8.8
191.03835	1.0
191.05585	3.4
195.05154	2.2
206.50404	1.0
207.08704	16.6
211.07570	2.0
217.04988	1.1
221.04572	1.8
230.06812	3.1
236.34311	1.1
249.09685	5.2
252.06326	2.7
258.66080	1.0
265.08948	2.5
275.48865	1.2
279.10995	2.3
327.08762	2.9
339.07709	10.6
339.12930	16.1
339.16620	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75193	0.4
59.01374	100.0
60.01718	1.7
67.01553	0.3
67.01897	1.0
69.03451	0.5
69.73299	0.9
69.73711	1.8
71.01382	7.2
72.99300	0.6
73.02937	0.7
83.01380	0.5
85.02949	3.3
87.00887	1.9
89.02448	9.6
93.03465	7.2
94.03828	0.5
95.01428	0.6
97.02869	0.4
98.20621	0.8
101.02447	3.6
109.03006	0.4
111.00941	0.4
111.04552	1.9
113.02474	3.8
113.99632	0.5
119.03561	4.1
119.05029	12.7
120.05389	0.7
129.01962	0.9
131.03598	0.6
137.02481	1.3
143.03569	1.0
149.04642	0.4
155.03526	0.6
157.08711	0.4
161.04604	1.4
163.04019	20.8
164.04402	1.3
164.07181	0.5
170.25667	0.4
173.04538	8.8
174.04871	0.7
179.05634	3.3
183.87547	0.3
191.05606	23.5
192.06053	1.0
208.84882	0.4
211.07576	0.8
222.48720	0.4
228.07205	1.3
234.07729	0.5
250.06802	0.7
265.08755	0.5
277.12756	1.9
299.07742	0.7
327.08774	1.2
337.08911	1.8
337.14896	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	338.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98909	1.2
59.01377	11.5
61.98829	73.2
69.46394	13.0
72.99303	12.0
73.02946	6.6
75.00875	57.7
89.59454	1.3
96.96006	1.4
98.20715	1.8
101.02441	1.5
148.77734	1.7
230.00031	1.5
230.05788	1.5
257.06235	1.7
271.06085	1.9
275.18625	100.0
276.18997	11.4
278.10617	1.6
321.20825	1.9
339.18124	2.0
339.23029	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	337.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35005	0.1
59.01374	1.7
67.01860	0.4
69.03455	0.4
70.53848	0.5
71.01379	1.1
73.02946	0.2
81.03458	0.4
83.05030	0.5
85.02956	7.9
86.03278	0.2
87.00884	1.7
89.02455	0.3
93.03469	5.3
94.03806	0.2
99.04539	0.3
101.02457	0.2
109.02951	0.6
111.04523	1.5
113.02418	0.3
117.03436	0.2
119.03450	0.3
119.05024	1.9
127.04018	2.1
137.02419	0.2
143.03957	0.2
145.02950	0.8
147.00920	0.2
153.01944	0.2
155.03568	0.2
163.04050	1.9
171.03033	0.6
173.04550	3.4
174.04987	0.2
178.56847	0.2
188.41856	0.2
191.05620	100.0
192.05965	4.4
213.01987	0.2
228.07109	0.2
271.90247	0.2
296.13675	0.2
327.08878	0.7
337.09277	3.1
337.14926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
58.37548	0.2
59.01373	1.5
67.01886	0.8
69.86050	1.0
69.86461	0.3
71.01389	0.9
73.02953	0.4
81.03464	0.4
83.05021	0.6
85.02953	8.8
87.00883	2.3
87.15256	0.2
87.51495	0.2
93.03465	5.1
93.75124	0.2
94.03813	0.2
96.74210	0.2
99.04536	0.4
109.02954	0.8
111.04522	1.3
111.26381	0.2
113.02383	0.2
117.03480	0.4
119.05035	1.7
127.04012	2.4
134.07516	0.2
145.02937	0.9
155.03470	0.2
163.04036	1.4
171.02980	0.6
173.04529	2.1
181.98457	0.2
185.32599	0.2
191.05615	100.0
192.05952	4.7
337.09238	3.3
338.09579	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
50.02630	0.4
59.01368	1.0
60.58986	0.4
67.01875	0.7
69.03445	0.4
71.01397	0.7
71.07273	0.8
81.03480	0.5
83.05021	0.8
85.02954	1.3
87.00883	0.7
93.03465	6.7
94.03815	0.3
106.88331	0.4
111.04531	2.8
119.05038	45.8
120.05347	1.7
127.04028	0.7
129.01994	0.5
137.02451	1.1
138.14557	0.4
145.49600	0.4
155.03461	2.3
163.04021	100.0
164.04350	5.8
173.04555	16.7
174.04919	0.8
185.64275	0.3
191.05618	21.3
192.05940	1.2
192.84497	0.3
328.37747	0.4
336.12534	0.4
337.09274	6.1
338.09583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.1
57.03439	1.2
57.04354	0.8
59.01376	61.2
60.01701	1.3
61.98822	2.5
67.01862	1.9
68.99515	1.2
68.99809	2.9
69.03427	2.1
71.01385	14.9
72.99344	1.0
73.02943	3.2
75.00862	1.2
78.95927	5.7
81.03439	0.9
83.01379	2.5
83.05031	2.1
85.02953	9.9
87.00878	4.5
89.02454	11.2
93.03458	8.9
95.01423	1.3
96.06293	1.0
96.96981	1.8
97.02950	2.1
97.05428	1.0
99.00895	8.5
101.02454	11.6
111.00903	1.6
111.04539	3.1
112.98587	3.4
113.02470	12.0
113.99594	16.0
115.00408	8.6
115.04036	8.2
119.03646	5.5
119.04234	1.9
119.05038	37.2
120.05332	1.5
123.34805	0.9
127.00401	3.0
129.01918	2.5
131.03545	1.3
137.02403	1.5
138.01981	1.2
154.91655	1.0
155.03488	1.9
157.01520	4.4
157.05118	1.1
161.04578	5.6
163.04018	73.1
164.04314	4.9
169.01436	2.1
172.98711	0.8
173.04532	11.8
174.01709	18.4
175.02403	2.9
179.05582	1.6
191.05608	11.7
204.54919	1.0
211.07681	2.0
225.01566	1.6
228.07173	5.3
237.09158	1.8
250.06619	1.4
277.05621	19.3
277.09207	13.3
278.05930	1.5
327.08572	1.5
332.65887	0.9
337.07739	100.0
338.08066	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	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01378	100.0
60.01716	1.3
67.01910	1.3
69.03463	0.5
71.01379	6.8
71.64004	0.7
72.99307	0.4
73.02969	1.0
75.00885	0.5
81.03493	0.4
83.05054	0.6
85.02966	3.5
87.00883	1.8
87.04545	0.4
89.02450	9.2
93.03471	9.7
94.03790	0.4
95.01418	0.5
99.00861	0.4
100.06388	0.4
101.02451	3.9
109.03036	0.5
111.04546	2.0
113.02487	3.2
115.00410	0.7
119.03587	2.8
119.05038	14.3
120.05381	0.9
129.02046	0.5
131.03581	0.6
137.02461	1.8
137.78867	0.4
143.03563	0.7
145.03017	0.4
145.05360	0.6
155.03592	0.7
161.04613	1.7
163.04025	23.8
164.04434	1.5
173.04564	9.9
173.06007	0.7
174.05008	0.6
175.06441	1.6
175.09839	0.9
176.07224	2.0
178.44435	0.3
179.05637	2.7
191.05626	27.3
192.06018	1.3
211.07709	1.0
228.07236	2.0
237.09354	0.9
250.06822	0.7
250.56717	0.4
265.09030	0.3
277.12930	1.9
281.44452	0.4
327.08911	1.4
337.08469	2.4
337.11371	0.5
337.14600	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30947	0.5
51.75119	0.4
52.60686	0.4
52.72659	0.5
59.01377	100.0
60.01717	1.7
61.98829	18.8
62.80214	0.4
71.01381	3.8
71.61832	0.7
73.02971	1.3
74.34361	0.4
78.85879	0.4
83.01411	0.9
85.02966	2.3
87.87056	0.5
89.02481	0.7
99.00897	0.7
101.02459	4.1
113.02504	1.6
161.04578	1.6
208.11771	0.4
238.68263	0.5
291.18094	6.3
311.45529	0.5
315.22275	0.5
333.13510	0.7
333.17218	0.7
333.20801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23447	0.8
53.54272	1.0
59.01374	9.9
61.98829	100.0
65.97365	1.0
69.30682	10.4
72.31916	0.9
82.05624	0.8
100.69624	0.9
105.58324	1.0
128.64539	0.9
131.43521	0.9
152.74150	0.8
170.78668	0.8
222.34422	0.9
249.04813	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03446	1.4
58.00585	3.1
59.01378	72.1
60.01693	0.7
61.98819	2.3
69.71157	0.6
70.84846	1.7
71.01384	42.8
72.01705	1.2
72.99305	4.3
73.02941	1.8
75.00881	1.2
75.48051	0.6
82.99599	2.0
83.01373	2.3
85.02955	14.7
87.00864	1.9
89.02451	38.8
90.02811	0.9
93.03465	0.9
95.01392	3.8
95.05000	0.6
99.00858	1.7
101.02453	30.8
111.08167	2.2
113.02458	18.2
113.06110	1.4
113.78287	0.6
114.02780	0.7
115.04021	1.0
118.98065	1.1
119.03514	18.7
126.98601	1.4
131.03487	1.8
134.63680	0.6
137.02472	2.4
137.06110	0.7
138.01973	1.5
143.03505	1.7
147.59445	0.6
149.04541	1.1
150.73355	0.6
155.07135	6.1
161.04524	3.0
170.51659	0.7
173.08154	5.0
176.85979	0.5
177.04039	2.5
179.05649	3.3
187.06155	0.8
192.37294	0.6
218.10263	1.0
224.31593	0.6
275.11118	0.6
299.07764	0.7
310.97855	0.7
335.10034	4.6
335.13452	100.0
336.09848	1.3
336.13696	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97248	0.4
55.01868	0.8
57.03432	0.4
59.01368	1.6
63.26984	0.5
63.96389	0.4
68.99816	2.5
69.69469	1.5
69.69893	1.9
71.01379	3.8
72.99298	0.7
73.02953	1.0
75.00873	1.9
78.95895	1.9
81.67613	0.4
82.07936	0.4
83.01385	2.0
83.91293	0.5
85.02953	5.5
85.05705	0.4
87.00876	2.7
89.02421	0.9
95.01393	1.2
96.96972	3.0
97.02957	0.6
98.20621	1.0
99.00885	6.2
101.02440	2.0
111.00874	2.1
113.02467	6.3
113.99596	15.5
114.99575	0.6
115.00380	10.4
117.01930	0.7
127.00403	2.9
129.01956	3.0
131.03517	0.4
133.01443	7.3
137.56528	0.5
139.00410	0.6
154.91566	1.9
157.01419	5.6
165.04050	1.9
169.01413	1.1
174.01703	18.7
175.02307	1.5
196.20781	0.5
240.10666	0.5
277.05637	19.2
278.06033	1.2
337.07748	100.0
338.08017	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	337.0776
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
50.54075	1.1
55.01870	1.7
57.03432	2.6
59.01377	65.0
60.09855	1.1
60.82932	1.4
61.98836	2.1
68.99835	2.2
71.00137	3.0
71.00477	1.3
71.01383	19.3
72.99292	1.9
73.02951	6.4
83.01376	3.4
85.02958	19.2
87.00883	7.3
89.02447	12.0
93.03462	2.9
97.02948	1.6
99.00903	6.9
101.02436	13.5
111.00897	2.0
112.98592	3.9
113.02461	14.5
113.99612	17.5
115.00408	15.9
115.04006	10.6
119.03516	3.2
119.05032	18.5
121.86679	1.3
127.00381	3.9
129.01970	2.5
130.08751	6.5
143.03537	1.8
154.99992	1.3
157.01427	4.1
161.04570	7.9
163.04033	33.1
164.04404	1.5
173.04552	6.6
174.01698	17.5
175.02516	20.0
175.06145	3.6
179.05663	1.8
191.05617	4.4
277.05670	17.0
277.09271	17.0
291.20712	1.2
304.00861	1.2
337.07767	100.0
337.11301	5.6
338.08063	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	337.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01384	2.2
60.99289	0.7
61.23569	0.4
63.44735	0.4
67.01893	3.2
69.03455	0.9
69.71333	2.7
71.01375	1.4
81.03443	1.0
83.05032	0.6
85.02964	3.4
87.00890	1.8
90.98833	0.5
93.03465	20.7
94.03815	0.6
98.20563	0.9
99.04547	0.5
102.12362	0.6
107.12881	0.4
109.02959	0.7
111.04546	3.4
115.53295	0.4
119.05040	14.2
120.05469	0.7
137.02440	3.6
145.02983	0.7
148.95021	0.5
150.21681	0.5
155.03549	3.1
163.04018	15.6
164.04349	0.6
173.04567	100.0
174.04890	4.0
191.05634	54.4
192.05928	1.6
220.54414	0.5
228.07166	0.8
273.72559	0.5
279.44919	0.5
293.61411	0.6
337.09311	9.4
338.09650	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	333.1192
Annotation	CHEBI:19923
Peak:m/z	Relative Intensity
51.59911	0.8
55.01849	0.8
57.03429	2.2
58.00576	2.8
59.01378	72.4
60.01696	0.9
61.98824	4.9
67.01873	3.0
69.03439	1.4
71.01384	38.2
72.01709	1.0
72.99287	2.8
73.02939	3.4
74.02460	1.2
75.00877	1.8
78.95902	1.9
81.03466	1.5
83.01379	3.3
85.02946	9.2
87.00880	3.5
89.02452	27.9
93.03464	1.3
95.01385	3.5
96.96973	1.3
97.06617	1.1
99.00903	1.7
101.02452	21.9
103.37084	0.8
105.40671	0.9
107.05020	3.3
109.06599	41.1
110.06947	1.7
111.00173	1.7
111.00900	29.6
111.04519	2.4
112.04029	1.0
113.02465	12.1
114.02757	0.8
119.03516	11.1
123.04507	0.9
124.01588	1.0
125.02498	5.7
125.06108	1.9
126.02856	1.3
127.02897	2.7
127.03986	1.2
127.07648	1.4
143.03476	1.7
149.99570	1.7
151.00235	1.2
152.99512	1.9
153.02017	6.1
153.05595	72.9
154.02234	2.6
154.05898	3.1
155.02376	2.4
155.03519	1.8
161.04556	3.2
168.00630	3.3
168.04320	2.2
169.01172	1.5
170.01106	4.8
171.06612	3.4
177.03343	1.6
179.05577	1.4
180.66174	1.0
184.06235	1.2
185.06461	1.4
289.12054	1.4
333.07199	15.3
333.11856	100.0
334.12204	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	333.0616
Annotation	Cedrin
Peak:m/z	Relative Intensity
59.01384	0.6
63.09025	0.2
63.71186	0.2
67.01881	0.4
68.99831	0.2
69.03463	0.9
69.61671	0.5
69.62079	1.4
71.01399	0.5
73.02954	0.2
74.42070	0.2
75.28235	0.2
77.03968	2.2
79.01913	0.4
83.01392	1.4
85.02951	0.7
89.02438	0.3
93.03474	2.9
94.39382	0.2
95.01403	1.0
97.02958	9.8
98.03296	0.4
99.00920	0.3
101.02426	0.3
101.95921	0.2
107.01372	0.3
109.02937	1.7
113.02436	0.3
115.00462	0.2
121.02969	10.2
122.03325	0.5
123.00919	0.8
125.02487	0.4
133.66435	0.2
135.00795	0.3
137.02461	35.0
138.02798	1.6
139.04028	0.4
141.01933	0.4
163.00417	0.8
164.01198	0.3
165.01944	100.0
166.02277	5.0
168.13205	0.2
168.22708	0.2
181.12381	0.2
197.04559	40.4
198.04886	2.9
209.00920	1.8
210.01274	0.2
223.02515	0.6
257.04517	0.4
301.03522	8.8
302.03864	1.1
315.05096	0.4
333.06155	4.2
333.15466	0.5
334.06442	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30918	1.4
59.01367	3.7
69.23655	1.1
71.01360	2.5
71.33679	2.4
72.99300	3.6
83.84149	1.2
90.03457	1.2
92.05045	6.1
94.82909	1.2
103.04254	3.0
104.05073	5.6
110.02490	2.5
118.02925	1.7
120.04527	2.8
122.06139	22.4
123.00845	1.8
123.03263	1.6
124.01622	2.1
125.02407	3.3
132.04488	2.2
136.03995	2.4
138.05621	15.8
139.05949	1.9
140.07188	14.2
148.04037	2.8
150.05548	2.1
152.03505	1.4
154.06566	1.7
158.06052	1.7
158.09709	3.1
166.05070	12.3
167.05864	3.4
168.06651	3.6
168.08195	2.2
169.08835	2.7
172.07707	1.4
172.11330	7.5
174.05602	1.8
184.11296	15.6
185.11688	1.6
186.09256	1.9
187.06393	3.2
188.07101	1.9
200.07149	2.9
201.07942	2.4
202.12373	11.1
211.05003	2.4
212.05873	6.1
213.10164	2.4
214.08681	3.2
215.09502	3.4
216.06805	2.0
216.10406	11.4
217.07430	35.7
218.07706	2.4
225.06625	3.9
226.07478	3.7
227.08325	2.5
228.10278	2.1
231.08978	16.4
232.09320	2.3
237.06642	1.9
238.07390	2.5
240.09027	2.4
241.06062	1.8
241.09818	22.3
242.06825	2.5
242.10295	3.0
243.11307	5.2
246.11327	77.5
247.11662	9.7
253.09802	13.4
255.07635	5.8
256.08371	4.0
259.10858	15.9
270.10065	1.9
271.06238	2.5
271.10849	100.0
272.08710	2.4
272.11551	8.6
289.11975	18.9
297.08850	2.3
298.86191	1.4
315.06610	1.3
315.09796	10.4
333.06177	11.2
333.10831	78.6
334.11191	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03440	0.4
59.01373	0.4
65.00322	0.2
69.03452	2.1
70.05640	0.8
71.01379	0.4
79.01888	0.4
81.03449	1.1
83.01389	1.5
85.02932	0.2
89.02446	0.3
91.33496	0.1
95.01389	0.7
97.02959	2.3
100.22580	0.2
101.02414	0.2
107.01384	1.8
108.02170	0.2
109.02959	0.2
121.02954	0.3
122.00063	0.2
123.00896	2.8
124.01675	13.1
125.02456	56.1
126.02789	2.1
137.02454	0.8
139.04002	0.2
141.26485	0.2
149.02472	0.4
149.04544	1.2
149.99593	23.6
151.00392	5.8
151.04037	0.1
152.00809	0.3
165.01958	0.2
167.03516	1.0
168.00647	57.1
169.01389	6.6
169.05171	0.1
170.01784	0.2
175.00348	0.5
179.03467	0.2
179.05646	0.4
193.01382	0.7
205.01559	0.2
211.02493	0.7
235.01811	0.1
287.08057	0.2
309.90472	0.2
313.05621	6.5
314.05807	0.4
331.06677	100.0
332.07016	9.9
332.11130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1035
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
53.55454	0.2
54.35997	0.2
57.03444	0.3
58.22405	0.2
59.01386	1.0
69.03464	0.3
70.90848	0.9
71.01376	1.6
73.02959	0.7
80.73111	0.3
82.00632	0.5
83.01379	0.7
84.00945	0.4
85.02945	2.7
85.03389	0.3
87.00872	0.5
89.02477	0.3
95.46529	0.3
99.00933	0.3
101.02460	0.7
109.02988	0.4
110.00104	5.9
113.02466	3.4
121.03017	0.3
123.00935	0.9
123.04522	0.4
124.01687	1.7
125.01534	0.6
125.02458	9.9
126.02824	0.5
131.03560	0.5
131.41571	0.3
136.01694	0.5
137.02467	0.6
137.99609	8.2
138.03246	0.4
139.00436	2.3
139.03999	0.3
140.01187	0.7
148.01674	0.5
149.99602	2.1
151.00366	1.0
151.04034	0.6
152.01173	2.8
153.01953	100.0
154.02419	5.5
155.03535	2.6
157.02838	0.3
159.03059	0.3
161.04584	1.8
166.02737	1.0
167.03511	11.9
168.00667	4.1
168.04289	54.5
169.01448	2.9
169.05048	10.7
170.05478	0.6
174.75043	0.3
176.01118	0.4
177.01910	0.4
179.03494	0.8
181.01501	0.4
181.05115	0.4
184.06219	0.3
191.03529	1.0
194.02156	0.5
196.03883	0.5
203.07281	0.3
209.04565	1.3
211.06096	0.7
221.04677	0.5
231.44656	0.3
239.05565	0.5
299.07632	0.4
313.05579	0.5
331.06625	7.0
331.10352	6.3
332.07019	0.8
332.10733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58987	0.5
52.47330	0.5
53.04122	0.6
57.03223	0.6
57.03448	6.7
59.01371	11.2
60.01718	0.7
61.98525	0.9
61.98827	14.0
69.03454	12.0
69.66727	3.8
71.01379	14.3
71.05025	2.3
72.99314	1.2
73.02951	18.2
75.00878	1.8
82.02982	13.0
83.01392	1.9
85.02955	11.8
87.00878	5.3
89.02438	4.6
90.98602	0.8
93.03468	1.2
95.01375	1.0
95.29066	0.6
97.02953	1.0
99.00883	1.4
101.02442	9.5
103.04028	4.2
107.05049	0.8
111.08163	2.4
112.03994	0.6
113.02469	1.9
113.06103	2.1
119.03503	3.5
119.04974	0.7
122.06145	2.1
123.04513	0.8
123.08155	1.3
124.01704	0.8
125.02483	3.5
127.07683	3.8
129.01936	1.7
136.04074	3.6
136.68066	0.6
139.11310	18.6
141.77074	0.7
147.03017	3.4
153.01947	0.6
155.10771	1.6
159.03107	0.7
161.04546	0.8
164.03552	5.5
168.00629	2.4
169.08708	0.7
171.06602	1.1
173.04565	2.1
179.10794	0.9
183.10268	100.0
184.10605	7.9
191.01976	1.5
199.09724	0.6
202.08720	0.8
204.06694	0.7
210.20108	0.7
211.07574	0.7
212.07932	0.8
223.87529	0.6
231.07881	0.6
236.08008	1.2
243.04002	1.1
244.09808	2.2
249.06090	1.1
258.06372	1.1
259.07248	0.8
259.10657	0.7
269.09378	0.7
270.07623	1.2
271.07281	1.9
272.07843	0.9
287.10367	28.1
287.13583	1.3
288.10864	3.2
288.13712	0.7
329.05478	0.7
331.06314	2.7
331.09412	6.1
331.13977	17.7
331.17566	1.4
332.14282	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.6
56.45165	0.3
56.99816	0.4
57.03448	4.2
58.00586	5.0
59.01376	100.0
60.01710	1.7
67.01878	0.7
68.99815	0.7
69.03450	1.5
71.01382	91.9
71.05003	0.6
72.01720	1.7
72.99311	7.0
73.02947	11.0
75.00884	1.5
81.03470	0.7
83.01391	7.2
84.02157	0.4
85.02956	25.7
86.03281	0.6
87.00882	5.1
89.02448	75.3
90.02760	1.6
90.98608	0.5
95.01390	6.3
97.02952	1.3
97.06562	0.6
98.20613	1.2
99.00888	6.1
99.04569	0.4
99.08203	0.4
100.01235	0.3
101.02451	54.9
102.02800	1.1
111.00859	0.5
111.04477	0.5
113.02459	35.2
114.02776	1.2
115.03999	0.3
119.03515	33.7
120.03873	0.8
125.02464	2.9
129.01936	1.3
131.03516	2.9
139.11290	1.0
143.03511	4.3
147.03006	3.4
149.04535	2.6
149.99590	0.8
151.11307	0.4
153.01910	0.4
155.10732	0.9
159.03023	2.0
161.03244	0.6
161.04570	10.2
168.00696	1.8
169.01387	0.4
169.12300	1.3
179.05630	4.3
179.10774	0.7
183.10274	6.2
191.01939	0.6
199.09782	0.8
216.88142	0.3
236.07870	0.9
249.06018	0.5
267.07379	0.4
331.06705	2.3
331.13751	2.5
331.17542	2.0
332.07590	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1193
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.20937	0.6
53.68327	0.6
54.36096	0.6
55.01873	1.1
57.03444	0.9
59.01092	1.2
59.01371	14.2
61.98817	4.5
70.63663	2.2
71.01383	8.3
71.58591	0.5
72.99307	1.2
73.02939	1.4
83.01404	2.7
85.02956	4.0
86.00102	4.3
87.00876	19.9
89.02451	3.2
95.01405	1.5
98.20640	0.7
99.00875	1.1
101.02454	4.9
107.01408	1.1
107.03784	1.7
108.02187	12.5
108.04583	1.7
109.02947	2.5
111.00894	0.9
113.02448	4.9
120.04604	1.0
121.05372	2.3
122.06128	37.8
123.00899	1.0
123.04508	2.1
123.06480	1.8
124.01668	2.5
124.04061	1.6
125.02457	12.7
129.01974	1.6
131.03644	0.6
133.05099	3.4
134.06111	5.2
135.03256	1.8
136.04047	1.7
136.07700	17.1
138.05618	2.1
146.06122	1.3
148.07663	1.2
149.04761	1.9
149.99629	2.6
150.05615	100.0
151.00357	6.1
151.04031	6.7
151.05922	6.2
151.84341	0.6
152.07181	8.5
153.01952	2.2
153.92757	0.7
158.06131	1.2
159.03069	0.9
161.04648	5.7
162.05667	3.0
164.07173	3.3
167.03485	0.9
168.00665	7.8
168.04248	0.7
168.06650	1.6
169.01437	4.6
169.05095	2.4
174.05577	2.1
175.00389	0.7
175.06390	4.6
176.07150	9.0
177.07640	0.6
192.06679	1.5
194.08177	3.3
204.06631	3.0
210.07635	0.7
217.97348	0.6
222.07527	3.2
248.65356	0.6
252.08771	2.4
271.08234	2.7
300.10907	0.9
312.10852	54.2
313.05621	1.0
313.11206	6.2
328.10245	0.7
330.11926	39.7
331.06702	22.8
331.12280	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.90161	0.3
56.49721	0.3
65.38801	0.3
65.44043	0.3
69.03458	2.1
70.03835	1.3
79.01907	0.5
81.03458	0.8
83.01395	0.9
95.01385	0.4
96.24755	0.3
97.02950	1.9
103.30501	0.3
107.01431	1.0
107.09948	0.3
123.00926	2.0
124.01678	10.3
125.02461	41.0
126.02756	1.7
135.71574	0.3
137.02454	0.6
149.99596	18.8
151.00377	1.8
153.01944	0.3
165.01904	0.3
167.03526	1.1
168.00652	43.8
169.01263	3.7
193.01405	0.5
228.95551	0.3
257.85565	0.3
273.44092	0.3
313.05588	5.9
314.05844	0.6
331.06689	100.0
332.07022	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
57.03440	0.4
57.23117	0.3
59.01372	3.8
61.98835	1.4
70.14472	0.8
70.14877	0.6
71.01385	11.5
72.99303	1.2
73.02943	2.5
81.03422	0.3
83.01392	0.9
85.02956	5.1
86.00126	0.2
87.00872	2.8
89.02473	1.2
93.03445	0.4
94.82268	0.3
95.01433	0.5
97.02962	0.6
98.20660	0.3
99.00894	0.9
99.04554	1.0
101.02450	6.0
108.02147	1.5
109.02968	1.7
113.02461	5.6
115.00380	0.8
119.05054	0.7
121.02962	6.5
121.03851	0.4
121.06611	0.4
122.03752	100.0
122.06082	2.3
123.04635	9.7
124.04891	0.7
125.02497	0.5
127.04014	0.4
129.01978	0.6
134.06082	0.4
135.04492	1.6
136.05171	0.3
136.07692	1.3
137.02492	1.5
137.03459	0.4
137.06133	1.3
143.03503	1.1
147.03008	3.3
147.04501	1.2
147.06674	0.7
148.05283	0.5
149.06076	0.5
150.05626	6.7
151.04019	0.4
152.07144	0.5
159.02988	1.6
161.04576	10.8
162.04922	0.6
164.07085	0.4
165.05583	7.2
166.06000	0.5
167.02306	0.3
167.03436	1.4
169.08633	0.3
176.07181	0.5
177.05576	2.5
181.05067	2.9
191.02010	0.4
209.02989	0.7
285.09729	2.3
312.10886	4.3
329.05325	0.4
329.08865	7.2
330.08856	0.5
330.12033	2.5
332.32510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.8
59.01385	16.1
66.35563	1.6
69.40096	5.7
69.40517	8.8
71.01383	93.6
72.99309	25.3
76.32470	1.7
85.02942	9.7
87.00883	34.8
87.95760	1.5
95.49884	1.6
101.02437	2.0
101.06087	3.2
108.02155	3.4
114.99654	3.0
115.00385	27.0
120.97482	1.5
121.02933	2.3
122.03765	15.1
123.04546	6.4
125.60954	1.7
129.01956	10.0
133.01418	1.8
135.55675	1.6
147.03017	100.0
147.06653	14.1
148.03384	3.1
161.04521	2.9
167.03572	8.8
181.07152	6.3
209.02998	2.5
233.44376	1.8
276.47678	1.8
281.13681	1.8
312.10727	2.8
329.06006	3.0
354.08304	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.02411	0.2
51.80953	0.2
57.03436	0.2
59.01375	2.0
59.65997	0.2
69.03459	10.0
70.03767	0.2
70.94678	0.3
70.94997	0.4
71.01374	1.2
72.61170	0.2
73.02940	0.4
79.01884	3.9
81.03461	0.8
85.02970	0.6
89.02441	0.3
93.03484	0.7
95.01381	1.0
97.02959	5.0
101.02468	0.7
105.03558	0.2
107.01401	12.2
108.02201	0.6
109.02962	0.8
113.02460	0.6
115.00362	0.2
119.05048	0.5
121.02966	1.2
121.30791	0.2
122.03771	0.4
123.00891	1.9
123.04531	1.2
125.02460	13.7
126.02794	0.5
133.02968	0.8
135.00911	5.0
135.04561	0.5
136.01678	1.5
137.02454	0.3
139.04034	0.3
145.02951	0.3
149.02467	1.5
150.03235	0.2
151.00385	15.5
152.00768	0.6
153.01971	3.2
161.02415	0.2
161.04578	0.4
163.04034	1.9
164.04390	0.3
165.01939	0.6
166.02727	100.0
167.03493	17.3
168.03845	0.7
169.08734	0.5
172.69212	0.2
173.04587	0.8
177.01955	3.0
179.03519	0.7
181.05119	0.6
189.01921	0.5
191.03496	1.0
193.05035	0.2
207.02921	0.2
209.04565	4.6
210.04878	0.3
211.07610	0.4
213.07677	0.6
221.04587	1.1
251.05756	0.2
297.06210	1.7
306.84814	0.2
327.08545	0.2
329.08780	18.3
330.09146	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.0
67.76167	0.3
69.03455	10.3
69.87289	1.5
71.01366	1.4
71.27203	0.3
73.02963	0.4
75.00896	0.3
79.01882	5.1
81.03435	1.4
83.01382	0.7
85.02966	1.0
89.02439	0.4
93.03474	1.5
95.01420	1.2
97.02958	5.8
101.02441	0.7
107.01398	12.4
108.01662	0.5
108.02291	0.4
109.02959	0.7
113.02502	0.7
115.00387	0.4
119.05040	1.4
121.02979	1.1
122.03812	0.3
123.00880	2.4
123.04531	5.6
124.04880	0.4
125.02458	15.7
126.02779	0.5
133.02980	0.9
135.00888	5.6
135.04520	0.6
136.01672	1.3
137.02484	0.7
143.05009	0.3
145.02977	0.5
149.02472	1.9
151.00377	15.8
151.04045	0.7
152.00737	0.7
153.01926	3.1
161.02458	0.3
161.04498	0.4
163.04025	2.9
165.01897	0.5
166.02727	100.0
167.03500	29.9
167.07196	0.3
168.03844	1.4
169.08725	0.5
170.18069	0.3
173.04590	1.1
177.01930	3.2
179.03473	1.0
181.05020	1.0
184.21353	0.3
189.01892	0.5
191.03510	4.4
209.04565	5.8
210.05022	0.4
211.07620	0.3
213.07669	0.9
221.04453	1.4
225.42870	0.3
230.49268	0.3
233.04770	0.5
250.06552	0.7
297.06152	1.4
329.08771	20.0
330.09012	2.0
332.98688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Paeonoside
Peak:m/z	Relative Intensity
52.52468	0.3
59.01377	17.6
59.25745	0.3
60.01702	0.3
69.51447	1.6
69.51861	0.9
71.01389	3.4
72.99305	0.4
73.02944	1.0
73.11892	0.3
74.36369	0.3
75.00891	0.8
81.49170	0.3
85.02959	0.8
87.00884	9.1
89.02470	1.5
91.05566	0.3
93.03468	6.6
94.03782	0.4
95.12311	0.3
99.00897	1.5
101.02468	2.3
104.99519	0.3
105.01948	11.5
107.05065	0.6
113.02451	0.8
114.43607	0.3
117.01966	0.5
117.03504	0.4
118.45192	0.3
119.03549	0.5
119.05032	2.3
120.05378	0.6
121.02976	0.3
121.06612	7.1
122.07018	0.4
127.31967	0.3
134.03802	0.8
135.03038	0.6
135.04550	13.1
136.04884	0.7
145.02936	0.6
147.03065	2.2
147.04498	3.1
161.02525	0.5
161.04582	0.7
163.04019	1.3
165.04074	46.9
165.05573	100.0
166.04405	1.6
166.05920	7.0
177.02060	0.4
179.02074	0.6
179.03543	8.3
180.03787	0.4
207.06667	0.4
318.59695	0.3
327.06827	1.8
327.11267	3.3
328.11224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91651	0.7
52.46131	0.7
54.69508	0.7
55.01857	1.1
57.03427	1.1
58.00589	1.4
59.01375	40.7
61.98834	1.1
65.17255	0.7
71.01381	23.6
71.58505	1.0
71.58932	0.9
72.99325	3.0
73.02940	1.1
75.00879	2.1
83.01413	1.3
85.02935	5.2
87.00878	2.3
89.02444	17.9
93.03471	7.6
95.01394	1.8
96.99226	0.8
99.00900	1.1
101.02454	14.6
105.01955	0.9
113.02461	7.5
116.92567	0.9
117.03476	2.9
119.03532	8.8
119.05029	21.3
123.04584	1.2
130.45253	0.8
131.05042	1.5
135.04521	3.4
137.02446	1.1
139.72652	0.9
143.03560	1.5
143.05006	5.0
145.02974	12.6
145.06682	0.9
146.03290	1.5
147.04533	100.0
148.04898	5.9
161.06105	1.3
163.04016	20.8
164.04382	1.2
165.04083	5.4
165.05585	14.6
179.03485	1.8
179.07001	0.8
181.07230	2.0
211.07675	1.9
232.55412	0.8
237.09210	1.8
244.49164	1.0
265.08554	4.6
283.09598	1.2
309.07718	1.5
327.11197	66.9
328.10989	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	327.2177
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03444	3.0
58.00605	0.4
59.01375	1.1
62.14017	0.4
62.34479	0.4
67.62011	0.4
69.03460	2.0
70.33793	1.8
71.01369	0.8
73.02934	0.5
77.55326	0.4
83.05014	0.7
83.86880	0.4
84.02165	0.4
85.02954	9.2
95.05041	0.6
97.06588	3.7
98.20479	0.5
114.41189	0.4
124.75558	0.4
125.09736	1.1
127.11307	2.0
137.09731	2.1
144.14618	0.4
155.10796	0.8
155.14444	0.8
167.14397	0.9
171.10294	21.3
172.10635	0.7
177.12827	0.6
183.13901	3.4
185.11848	1.4
193.12355	0.8
197.11888	0.7
199.13417	0.6
201.11273	0.9
203.10725	0.6
209.11778	1.2
211.13387	15.9
212.13721	1.6
221.11842	2.0
222.12170	0.5
229.14462	10.8
230.14755	0.7
239.12857	1.1
247.20613	0.6
291.19629	2.2
309.20682	1.2
327.21756	100.0
328.22113	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2541
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.52390	0.7
59.01368	2.3
61.98835	1.3
79.18694	0.8
98.19823	1.3
101.02470	0.8
118.56696	0.8
177.55898	0.9
185.00836	3.1
194.99315	1.3
237.01210	0.8
263.23737	1.4
265.25336	61.2
266.25677	6.3
275.27557	0.8
283.26471	2.3
309.24316	21.2
310.24631	1.9
327.18481	8.2
327.25391	100.0
328.18948	0.9
328.25739	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	327.2904
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	2.2
71.55042	1.0
71.55409	1.3
84.34097	1.0
84.35326	1.0
89.31709	0.9
185.00803	1.5
199.05536	1.0
262.46234	1.2
323.14111	1.2
327.29050	77.1
328.29306	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	328.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22747	0.3
58.00589	1.4
59.01377	2.9
61.98819	0.3
63.14041	0.3
69.03462	0.9
71.01383	5.0
71.65218	0.4
72.00911	14.3
72.99313	0.7
73.02947	8.5
74.02483	1.6
80.28906	0.3
84.02169	0.6
104.29173	0.3
138.42758	0.4
152.99648	0.6
181.50955	0.3
211.20659	0.5
223.20590	0.9
225.22238	14.1
226.22574	1.2
237.22147	1.1
241.21730	17.9
242.22125	2.1
253.21721	100.0
254.22067	11.1
255.23286	88.7
256.23648	10.2
260.97275	0.3
266.24857	3.7
267.23129	1.6
284.25949	19.5
285.26373	2.8
290.32266	0.3
299.19193	0.2
299.22281	7.0
300.22577	0.9
328.24976	5.1
329.25244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	46.8
60.01722	0.5
61.98844	1.6
69.00172	0.4
69.32634	1.1
69.33051	3.5
71.01366	0.5
87.00890	0.8
98.19931	0.9
115.02547	1.8
117.00443	4.6
126.98901	1.6
130.09579	0.4
144.99940	0.9
157.03592	0.7
159.01511	63.9
160.01619	5.8
168.99979	3.4
170.97881	0.9
187.00990	100.0
188.00662	11.7
190.29494	0.5
201.02562	14.0
202.02686	1.3
217.00548	0.5
241.00539	0.7
287.01031	1.1
311.00998	1.7
329.02213	4.7
330.01907	1.4
END